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 3pb7_1_X DATA FIRST_RESID 74 DATA SEQUENCE GSLPEARLRR VVGQLDPQRL WSTYLRPLLV VRTPGSPGNL QVRKFLEATL DATA SEQUENCE RSLTAGWHVE LDPFTASTPL GPVDFGNVVA TLDPRAARHL TLACHYDSKL DATA SEQUENCE FPPGSTPFVG ATDSAVPCAL LLELAQALDL ELSRAKKQAA PVTLQLLFLD DATA SEQUENCE GEEALKEWGP KDSLYGSRHL AQLMESIPHS PGPTRIQAIE LFMLLDLLGA DATA SEQUENCE PNPTFYSHFP RTVRWFHRLR SIEKRLHRLN LLQSHPQEVM YFQPGEPFGS DATA SEQUENCE VEDDHIPFLR RGVPVLHLIS TPFPAVWHTP ADTEVNLHPP TVHNLCRILA DATA SEQUENCE VFLAEYLGL 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 74 G HA2 0.000 nan 3.960 nan 0.000 0.244 74 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 74 G C 0.000 174.892 174.900 -0.013 0.000 0.946 74 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 75 S N 1.185 116.881 115.700 -0.007 0.000 2.584 75 S HA 0.508 4.977 4.470 -0.002 0.000 0.273 75 S C 0.940 175.542 174.600 0.002 0.000 1.311 75 S CA -0.548 57.653 58.200 0.001 0.000 1.034 75 S CB 1.026 64.229 63.200 0.006 0.000 0.939 75 S HN 0.499 nan 8.310 nan 0.000 0.513 76 L N 3.238 124.465 121.223 0.008 0.000 2.490 76 L HA 0.181 4.520 4.340 -0.002 0.000 0.274 76 L C -2.012 174.864 176.870 0.010 0.000 1.201 76 L CA -1.574 53.272 54.840 0.010 0.000 0.869 76 L CB -0.428 41.641 42.059 0.017 0.000 1.123 76 L HN 0.380 nan 8.230 nan 0.000 0.484 77 P HA -0.047 nan 4.420 nan 0.000 0.267 77 P C 0.499 177.806 177.300 0.012 0.000 1.200 77 P CA -0.112 62.993 63.100 0.009 0.000 0.772 77 P CB 0.581 32.285 31.700 0.007 0.000 0.855 78 E N 2.196 122.403 120.200 0.012 0.000 2.085 78 E HA -0.268 4.081 4.350 -0.002 0.000 0.194 78 E C 1.742 178.350 176.600 0.014 0.000 0.994 78 E CA 1.558 57.967 56.400 0.014 0.000 0.801 78 E CB -0.389 29.318 29.700 0.012 0.000 0.743 78 E HN 0.498 nan 8.360 nan 0.000 0.453 79 A N 1.022 123.849 122.820 0.011 0.000 1.902 79 A HA -0.193 4.125 4.320 -0.002 0.000 0.217 79 A C 2.178 179.770 177.584 0.014 0.000 1.181 79 A CA 1.722 53.765 52.037 0.011 0.000 0.623 79 A CB -0.509 18.496 19.000 0.009 0.000 0.818 79 A HN 0.171 nan 8.150 nan 0.000 0.443 80 R N 0.016 120.525 120.500 0.014 0.000 2.075 80 R HA -0.002 4.336 4.340 -0.002 0.000 0.232 80 R C 1.986 178.299 176.300 0.021 0.000 1.126 80 R CA 1.650 57.759 56.100 0.016 0.000 0.963 80 R CB -0.986 29.322 30.300 0.014 0.000 0.858 80 R HN 0.512 nan 8.270 nan 0.000 0.435 81 L N 0.382 121.619 121.223 0.022 0.000 2.013 81 L HA -0.225 4.114 4.340 -0.002 0.000 0.212 81 L C 2.163 179.050 176.870 0.030 0.000 1.073 81 L CA 1.835 56.692 54.840 0.029 0.000 0.753 81 L CB -0.222 41.855 42.059 0.029 0.000 0.890 81 L HN 0.189 nan 8.230 nan 0.000 0.432 82 R N -0.750 119.765 120.500 0.024 0.000 2.096 82 R HA -0.165 4.173 4.340 -0.002 0.000 0.235 82 R C 2.422 178.735 176.300 0.023 0.000 1.127 82 R CA 1.494 57.607 56.100 0.022 0.000 0.968 82 R CB -0.290 30.020 30.300 0.016 0.000 0.861 82 R HN 0.342 nan 8.270 nan 0.000 0.440 83 R N 0.264 120.778 120.500 0.022 0.000 2.066 83 R HA -0.089 4.250 4.340 -0.002 0.000 0.232 83 R C 2.208 178.526 176.300 0.030 0.000 1.131 83 R CA 1.179 57.293 56.100 0.023 0.000 0.955 83 R CB -0.267 30.045 30.300 0.021 0.000 0.851 83 R HN 0.015 nan 8.270 nan 0.000 0.432 84 V N -0.169 119.766 119.914 0.035 0.000 2.287 84 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 84 V C 2.177 178.301 176.094 0.050 0.000 1.053 84 V CA 1.739 64.066 62.300 0.044 0.000 1.027 84 V CB -0.303 31.548 31.823 0.047 0.000 0.646 84 V HN 0.176 nan 8.190 nan 0.000 0.447 85 V N 0.866 120.808 119.914 0.047 0.000 2.407 85 V HA -0.176 3.942 4.120 -0.002 0.000 0.248 85 V C 2.589 178.708 176.094 0.042 0.000 1.055 85 V CA 2.074 64.405 62.300 0.051 0.000 1.049 85 V CB -1.302 30.548 31.823 0.046 0.000 0.662 85 V HN 0.632 nan 8.190 nan 0.000 0.455 86 G N -1.238 107.581 108.800 0.032 0.000 2.498 86 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.219 86 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.219 86 G C 1.421 176.339 174.900 0.029 0.000 1.119 86 G CA 0.430 45.545 45.100 0.024 0.000 0.766 86 G HN 0.569 nan 8.290 nan 0.000 0.552 87 Q N -0.612 119.212 119.800 0.040 0.000 2.389 87 Q HA 0.239 4.578 4.340 -0.002 0.000 0.204 87 Q C 0.648 176.683 176.000 0.058 0.000 0.944 87 Q CA -0.210 55.622 55.803 0.047 0.000 0.908 87 Q CB 0.119 28.889 28.738 0.053 0.000 1.002 87 Q HN 0.387 nan 8.270 nan 0.000 0.493 88 L N 1.382 122.643 121.223 0.062 0.000 2.439 88 L HA 0.110 4.448 4.340 -0.002 0.000 0.269 88 L C 0.018 176.919 176.870 0.052 0.000 1.179 88 L CA -0.158 54.728 54.840 0.078 0.000 0.828 88 L CB 0.390 42.503 42.059 0.090 0.000 1.106 88 L HN -0.023 nan 8.230 nan 0.000 0.467 89 D N 3.461 123.901 120.400 0.066 0.000 2.440 89 D HA 0.272 4.910 4.640 -0.002 0.000 0.252 89 D C -2.004 174.315 176.300 0.033 0.000 1.180 89 D CA -1.971 52.047 54.000 0.029 0.000 0.894 89 D CB 2.020 42.837 40.800 0.028 0.000 1.111 89 D HN 0.098 nan 8.370 nan 0.000 0.544 90 P HA -0.128 nan 4.420 nan 0.000 0.217 90 P C 1.223 178.572 177.300 0.082 0.000 1.150 90 P CA 0.884 63.895 63.100 -0.147 0.000 0.832 90 P CB 0.530 31.817 31.700 -0.688 0.000 0.787 91 Q N -0.119 119.693 119.800 0.020 0.000 2.119 91 Q HA -0.141 4.198 4.340 -0.002 0.000 0.201 91 Q C 2.366 178.409 176.000 0.073 0.000 0.972 91 Q CA 1.499 57.342 55.803 0.067 0.000 0.847 91 Q CB -0.624 28.117 28.738 0.005 0.000 0.903 91 Q HN 0.039 nan 8.270 nan 0.000 0.433 92 R N -0.561 119.944 120.500 0.009 0.000 2.073 92 R HA -0.159 4.180 4.340 -0.002 0.000 0.234 92 R C 2.094 178.309 176.300 -0.141 0.000 1.134 92 R CA 1.475 57.505 56.100 -0.118 0.000 0.952 92 R CB -0.533 29.691 30.300 -0.126 0.000 0.850 92 R HN 0.378 nan 8.270 nan 0.000 0.433 93 L N 0.411 121.697 121.223 0.104 0.000 2.013 93 L HA -0.232 4.106 4.340 -0.002 0.000 0.212 93 L C 2.049 179.038 176.870 0.199 0.000 1.073 93 L CA 1.954 56.947 54.840 0.254 0.000 0.753 93 L CB -0.848 41.434 42.059 0.370 0.000 0.890 93 L HN 0.377 nan 8.230 nan 0.000 0.432 94 W N -0.572 120.780 121.300 0.086 0.000 2.407 94 W HA -0.119 4.539 4.660 -0.003 0.000 0.305 94 W C 2.386 178.910 176.519 0.007 0.000 1.196 94 W CA 1.654 59.037 57.345 0.063 0.000 1.311 94 W CB -0.134 29.376 29.460 0.084 0.000 1.135 94 W HN 0.265 nan 8.180 nan 0.000 0.514 95 S N -0.656 115.149 115.700 0.175 0.000 2.427 95 S HA -0.076 4.392 4.470 -0.002 0.000 0.224 95 S C 1.616 176.193 174.600 -0.038 0.000 1.047 95 S CA 1.517 59.758 58.200 0.069 0.000 0.953 95 S CB -0.329 62.912 63.200 0.070 0.000 0.824 95 S HN 0.099 nan 8.310 nan 0.000 0.502 96 T N 0.957 115.426 114.554 -0.141 0.000 2.851 96 T HA 0.055 4.404 4.350 -0.002 0.000 0.262 96 T C 1.152 175.823 174.700 -0.048 0.000 1.043 96 T CA 1.076 63.040 62.100 -0.227 0.000 1.140 96 T CB -0.196 68.344 68.868 -0.547 0.000 0.872 96 T HN 0.371 nan 8.240 nan 0.000 0.446 97 Y N -0.243 120.123 120.300 0.110 0.000 2.500 97 Y HA 0.435 4.983 4.550 -0.002 0.000 0.284 97 Y C 1.803 177.698 175.900 -0.007 0.000 1.118 97 Y CA -0.924 57.251 58.100 0.125 0.000 1.241 97 Y CB -0.737 37.766 38.460 0.072 0.000 1.171 97 Y HN 0.058 nan 8.280 nan 0.000 0.540 98 L N 0.440 121.659 121.223 -0.007 0.000 2.071 98 L HA 0.073 4.412 4.340 -0.002 0.000 0.201 98 L C 2.536 179.248 176.870 -0.263 0.000 1.076 98 L CA 1.525 56.237 54.840 -0.214 0.000 0.755 98 L CB -0.614 41.137 42.059 -0.513 0.000 0.915 98 L HN -0.003 nan 8.230 nan 0.000 0.445 99 R N 0.456 120.801 120.500 -0.259 0.000 2.096 99 R HA -0.122 4.217 4.340 -0.002 0.000 0.240 99 R C -0.711 175.453 176.300 -0.227 0.000 1.139 99 R CA 2.202 58.177 56.100 -0.208 0.000 0.952 99 R CB -1.901 28.337 30.300 -0.104 0.000 0.854 99 R HN 0.291 nan 8.270 nan 0.000 0.436 100 P HA -0.065 nan 4.420 nan 0.000 0.222 100 P C 0.695 177.714 177.300 -0.468 0.000 1.147 100 P CA 1.081 63.891 63.100 -0.485 0.000 0.790 100 P CB 0.008 31.158 31.700 -0.916 0.000 0.780 101 L N -1.768 119.239 121.223 -0.359 0.000 2.395 101 L HA 0.003 4.341 4.340 -0.002 0.000 0.218 101 L C 1.234 178.004 176.870 -0.166 0.000 1.130 101 L CA 0.329 55.030 54.840 -0.231 0.000 0.826 101 L CB -0.536 41.440 42.059 -0.138 0.000 0.941 101 L HN -0.052 nan 8.230 nan 0.000 0.451 102 L N 2.418 123.533 121.223 -0.180 0.000 2.533 102 L HA 0.124 4.462 4.340 -0.002 0.000 0.239 102 L C -0.234 176.561 176.870 -0.125 0.000 1.376 102 L CA -0.300 54.447 54.840 -0.154 0.000 1.240 102 L CB -0.507 41.455 42.059 -0.161 0.000 1.487 102 L HN 0.047 nan 8.230 nan 0.000 0.419 103 V N -2.019 117.833 119.914 -0.105 0.000 3.102 103 V HA 0.516 4.634 4.120 -0.002 0.000 0.312 103 V C 0.206 176.273 176.094 -0.045 0.000 1.135 103 V CA -1.032 61.223 62.300 -0.075 0.000 1.022 103 V CB 2.063 33.840 31.823 -0.076 0.000 1.056 103 V HN -0.112 nan 8.190 nan 0.000 0.436 104 V N 3.419 123.321 119.914 -0.022 0.000 2.599 104 V HA 0.329 4.448 4.120 -0.002 0.000 0.300 104 V C 0.961 177.069 176.094 0.023 0.000 1.034 104 V CA 0.529 62.840 62.300 0.018 0.000 1.115 104 V CB 0.427 32.268 31.823 0.030 0.000 0.934 104 V HN 1.103 nan 8.190 nan 0.000 0.485 105 R N 1.666 122.196 120.500 0.049 0.000 2.583 105 R HA 0.222 4.561 4.340 -0.002 0.000 0.329 105 R C -0.089 176.234 176.300 0.038 0.000 1.166 105 R CA -0.452 55.679 56.100 0.052 0.000 1.264 105 R CB -0.101 30.253 30.300 0.090 0.000 1.324 105 R HN 0.638 nan 8.270 nan 0.000 0.684 106 T N -0.909 113.656 114.554 0.019 0.000 2.898 106 T HA 0.319 4.667 4.350 -0.002 0.000 0.301 106 T C -2.269 172.374 174.700 -0.095 0.000 1.049 106 T CA -1.687 60.403 62.100 -0.016 0.000 1.095 106 T CB 0.984 69.839 68.868 -0.022 0.000 0.976 106 T HN 0.013 nan 8.240 nan 0.000 0.539 107 P HA 0.241 nan 4.420 nan 0.000 0.265 107 P C 1.202 178.274 177.300 -0.380 0.000 1.193 107 P CA 1.248 64.145 63.100 -0.339 0.000 0.765 107 P CB 0.168 31.558 31.700 -0.516 0.000 0.823 108 G N 1.870 110.449 108.800 -0.369 0.000 2.253 108 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.251 108 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.251 108 G C 0.441 175.238 174.900 -0.171 0.000 0.998 108 G CA 0.322 45.244 45.100 -0.297 0.000 0.621 108 G HN 0.803 nan 8.290 nan 0.000 0.524 109 S N 0.873 116.496 115.700 -0.127 0.000 2.593 109 S HA 0.565 5.033 4.470 -0.002 0.000 0.269 109 S C -0.657 173.913 174.600 -0.051 0.000 1.334 109 S CA -0.285 57.870 58.200 -0.075 0.000 1.015 109 S CB 1.959 65.130 63.200 -0.048 0.000 0.912 109 S HN 0.036 nan 8.310 nan 0.000 0.541 110 P HA -0.009 nan 4.420 nan 0.000 0.216 110 P C 1.698 178.989 177.300 -0.015 0.000 1.153 110 P CA 1.678 64.761 63.100 -0.028 0.000 0.858 110 P CB -0.442 31.242 31.700 -0.028 0.000 0.789 111 G N -0.345 108.448 108.800 -0.012 0.000 2.422 111 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.218 111 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.218 111 G C 1.644 176.561 174.900 0.028 0.000 1.140 111 G CA 0.552 45.650 45.100 -0.004 0.000 0.775 111 G HN 0.285 nan 8.290 nan 0.000 0.545 112 N N 0.664 119.390 118.700 0.043 0.000 2.120 112 N HA -0.096 4.643 4.740 -0.002 0.000 0.188 112 N C 2.235 177.833 175.510 0.147 0.000 1.024 112 N CA 1.288 54.413 53.050 0.124 0.000 0.852 112 N CB -0.220 38.298 38.487 0.052 0.000 1.003 112 N HN 0.260 nan 8.380 nan 0.000 0.424 113 L N 1.641 122.896 121.223 0.054 0.000 2.083 113 L HA -0.114 4.225 4.340 -0.002 0.000 0.209 113 L C 2.311 179.192 176.870 0.017 0.000 1.083 113 L CA 1.645 56.504 54.840 0.031 0.000 0.752 113 L CB -0.644 41.410 42.059 -0.007 0.000 0.899 113 L HN 0.193 nan 8.230 nan 0.000 0.433 114 Q N -1.430 118.377 119.800 0.012 0.000 2.123 114 Q HA -0.119 4.220 4.340 -0.002 0.000 0.199 114 Q C 2.193 178.202 176.000 0.013 0.000 0.966 114 Q CA 1.599 57.404 55.803 0.004 0.000 0.845 114 Q CB -0.138 28.592 28.738 -0.014 0.000 0.907 114 Q HN 0.442 nan 8.270 nan 0.000 0.439 115 V N 0.937 120.859 119.914 0.012 0.000 2.358 115 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 115 V C 2.325 178.358 176.094 -0.101 0.000 1.047 115 V CA 1.904 64.204 62.300 -0.001 0.000 1.035 115 V CB -0.559 31.297 31.823 0.056 0.000 0.658 115 V HN 0.335 nan 8.190 nan 0.000 0.452 116 R N 0.220 120.620 120.500 -0.168 0.000 2.083 116 R HA -0.199 4.139 4.340 -0.002 0.000 0.237 116 R C 2.372 178.548 176.300 -0.206 0.000 1.137 116 R CA 1.536 57.433 56.100 -0.338 0.000 0.951 116 R CB -0.121 30.105 30.300 -0.124 0.000 0.851 116 R HN 0.317 nan 8.270 nan 0.000 0.434 117 K N 0.175 120.522 120.400 -0.089 0.000 2.097 117 K HA -0.154 4.164 4.320 -0.002 0.000 0.205 117 K C 1.840 178.397 176.600 -0.071 0.000 1.050 117 K CA 1.164 57.408 56.287 -0.071 0.000 0.938 117 K CB -0.702 31.782 32.500 -0.027 0.000 0.718 117 K HN 0.233 nan 8.250 nan 0.000 0.442 118 F N 1.930 121.776 119.950 -0.173 0.000 2.134 118 F HA -0.157 4.369 4.527 -0.002 0.000 0.299 118 F C 1.919 177.571 175.800 -0.248 0.000 1.097 118 F CA 1.225 59.123 58.000 -0.170 0.000 1.264 118 F CB -0.233 38.682 39.000 -0.142 0.000 1.001 118 F HN -0.128 nan 8.300 nan 0.000 0.479 119 L N 0.101 121.136 121.223 -0.313 0.000 2.017 119 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 119 L C 2.459 178.994 176.870 -0.558 0.000 1.073 119 L CA 1.783 56.263 54.840 -0.600 0.000 0.745 119 L CB -0.860 40.728 42.059 -0.784 0.000 0.894 119 L HN 0.173 nan 8.230 nan 0.000 0.432 120 E N 0.149 120.114 120.200 -0.392 0.000 2.051 120 E HA -0.235 4.114 4.350 -0.002 0.000 0.192 120 E C 2.292 178.722 176.600 -0.284 0.000 0.991 120 E CA 1.270 57.493 56.400 -0.295 0.000 0.799 120 E CB -0.193 29.389 29.700 -0.196 0.000 0.748 120 E HN 0.503 nan 8.360 nan 0.000 0.449 121 A N 0.793 123.445 122.820 -0.279 0.000 1.930 121 A HA -0.148 4.170 4.320 -0.002 0.000 0.217 121 A C 2.356 179.759 177.584 -0.302 0.000 1.175 121 A CA 1.732 53.627 52.037 -0.236 0.000 0.627 121 A CB -0.737 18.148 19.000 -0.192 0.000 0.815 121 A HN 0.170 nan 8.150 nan 0.000 0.443 122 T N 0.688 114.963 114.554 -0.466 0.000 2.674 122 T HA -0.110 4.239 4.350 -0.002 0.000 0.265 122 T C 1.821 176.292 174.700 -0.382 0.000 1.039 122 T CA 1.580 63.401 62.100 -0.465 0.000 1.150 122 T CB -0.446 67.999 68.868 -0.705 0.000 0.864 122 T HN 0.370 nan 8.240 nan 0.000 0.427 123 L N 0.387 121.345 121.223 -0.442 0.000 2.042 123 L HA -0.103 4.236 4.340 -0.002 0.000 0.210 123 L C 2.842 179.545 176.870 -0.278 0.000 1.076 123 L CA 1.432 56.004 54.840 -0.445 0.000 0.749 123 L CB -0.502 41.281 42.059 -0.460 0.000 0.893 123 L HN 0.141 nan 8.230 nan 0.000 0.432 124 R N -0.284 120.102 120.500 -0.191 0.000 2.148 124 R HA -0.105 4.234 4.340 -0.002 0.000 0.227 124 R C 2.520 178.785 176.300 -0.058 0.000 1.103 124 R CA 1.377 57.424 56.100 -0.087 0.000 0.983 124 R CB -0.310 29.937 30.300 -0.089 0.000 0.874 124 R HN 0.480 nan 8.270 nan 0.000 0.451 125 S N 0.535 116.177 115.700 -0.096 0.000 2.481 125 S HA 0.003 4.472 4.470 -0.002 0.000 0.231 125 S C 0.931 175.522 174.600 -0.015 0.000 0.996 125 S CA 0.088 58.255 58.200 -0.055 0.000 0.942 125 S CB -0.252 62.905 63.200 -0.073 0.000 0.768 125 S HN 0.112 nan 8.310 nan 0.000 0.520 126 L N 2.917 124.128 121.223 -0.019 0.000 2.499 126 L HA 0.089 4.427 4.340 -0.002 0.000 0.273 126 L C 2.176 179.121 176.870 0.124 0.000 1.195 126 L CA 0.195 55.067 54.840 0.054 0.000 0.882 126 L CB 0.306 42.399 42.059 0.057 0.000 1.133 126 L HN 0.402 nan 8.230 nan 0.000 0.483 127 T N -0.727 113.890 114.554 0.106 0.000 2.929 127 T HA -0.169 4.180 4.350 -0.002 0.000 0.271 127 T C 1.656 176.417 174.700 0.102 0.000 1.085 127 T CA 0.844 62.997 62.100 0.088 0.000 1.125 127 T CB -0.098 68.808 68.868 0.062 0.000 0.874 127 T HN 0.707 nan 8.240 nan 0.000 0.494 128 A N 1.457 124.369 122.820 0.154 0.000 2.131 128 A HA 0.392 4.710 4.320 -0.002 0.000 0.220 128 A C 1.967 179.583 177.584 0.053 0.000 1.158 128 A CA 1.014 53.105 52.037 0.090 0.000 0.665 128 A CB -1.447 17.602 19.000 0.081 0.000 0.795 128 A HN 1.708 nan 8.150 nan 0.000 0.460 129 G N -2.196 106.703 108.800 0.164 0.000 2.341 129 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.278 129 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.278 129 G C -0.267 174.718 174.900 0.142 0.000 1.111 129 G CA -0.106 45.069 45.100 0.125 0.000 0.982 129 G HN 0.444 nan 8.290 nan 0.000 0.502 130 W N 0.091 121.395 121.300 0.007 0.000 2.170 130 W HA 0.435 5.094 4.660 -0.002 0.000 0.342 130 W C 1.154 177.700 176.519 0.045 0.000 1.294 130 W CA -0.031 57.328 57.345 0.023 0.000 1.246 130 W CB 0.416 29.874 29.460 -0.005 0.000 1.156 130 W HN 0.351 nan 8.180 nan 0.000 0.572 131 H N 2.507 121.697 119.070 0.201 0.000 2.668 131 H HA 0.369 4.923 4.556 -0.002 0.000 0.303 131 H C -1.080 174.345 175.328 0.162 0.000 1.074 131 H CA -0.053 56.075 56.048 0.134 0.000 1.406 131 H CB 0.553 30.361 29.762 0.078 0.000 1.442 131 H HN 0.150 nan 8.280 nan 0.000 0.482 132 V N 7.106 126.877 119.914 -0.238 0.000 2.444 132 V HA 0.228 4.347 4.120 -0.002 0.000 0.294 132 V C -0.333 175.633 176.094 -0.213 0.000 1.022 132 V CA -0.679 61.552 62.300 -0.114 0.000 0.850 132 V CB 1.615 33.387 31.823 -0.084 0.000 0.992 132 V HN 0.867 nan 8.190 nan 0.000 0.426 133 E N 4.606 124.766 120.200 -0.067 0.000 2.340 133 E HA 0.695 5.044 4.350 -0.002 0.000 0.273 133 E C -1.596 175.040 176.600 0.060 0.000 0.891 133 E CA -1.054 55.336 56.400 -0.016 0.000 0.757 133 E CB 2.756 32.501 29.700 0.075 0.000 1.231 133 E HN 0.399 nan 8.360 nan 0.000 0.439 134 L N 1.862 123.123 121.223 0.064 0.000 2.350 134 L HA 0.322 4.661 4.340 -0.002 0.000 0.275 134 L C -0.717 176.252 176.870 0.164 0.000 1.099 134 L CA 0.077 54.982 54.840 0.109 0.000 0.808 134 L CB 1.226 43.331 42.059 0.077 0.000 1.149 134 L HN 0.701 nan 8.230 nan 0.000 0.442 135 D N 5.925 126.463 120.400 0.230 0.000 2.485 135 D HA 0.367 5.006 4.640 -0.002 0.000 0.229 135 D C -2.661 173.843 176.300 0.341 0.000 1.101 135 D CA -2.010 52.170 54.000 0.300 0.000 0.906 135 D CB 0.847 41.866 40.800 0.364 0.000 1.019 135 D HN 0.218 nan 8.370 nan 0.000 0.516 136 P HA 0.412 nan 4.420 nan 0.000 0.292 136 P C -0.994 176.430 177.300 0.207 0.000 1.283 136 P CA -0.649 62.545 63.100 0.157 0.000 0.835 136 P CB 0.753 32.502 31.700 0.082 0.000 1.017 137 F N -1.899 118.006 119.950 -0.075 0.000 2.719 137 F HA 0.617 5.143 4.527 -0.002 0.000 0.309 137 F C -1.458 174.342 175.800 -0.001 0.000 1.138 137 F CA -0.882 57.032 58.000 -0.143 0.000 0.943 137 F CB 0.668 39.297 39.000 -0.619 0.000 1.304 137 F HN 0.052 nan 8.300 nan 0.000 0.445 138 T N 1.975 116.585 114.554 0.094 0.000 2.823 138 T HA 0.853 5.202 4.350 -0.002 0.000 0.279 138 T C -0.581 174.268 174.700 0.247 0.000 0.998 138 T CA -0.300 61.842 62.100 0.069 0.000 0.994 138 T CB 1.387 70.275 68.868 0.033 0.000 0.960 138 T HN 1.005 nan 8.240 nan 0.000 0.448 139 A N 2.122 125.113 122.820 0.284 0.000 2.454 139 A HA 0.790 5.109 4.320 -0.002 0.000 0.302 139 A C -0.034 177.677 177.584 0.213 0.000 1.079 139 A CA -0.809 51.412 52.037 0.307 0.000 0.731 139 A CB 1.335 20.579 19.000 0.406 0.000 1.299 139 A HN 0.671 nan 8.150 nan 0.000 0.413 140 S N 0.830 116.635 115.700 0.175 0.000 2.549 140 S HA 0.550 5.019 4.470 -0.002 0.000 0.279 140 S C 0.558 175.267 174.600 0.181 0.000 1.321 140 S CA 0.418 58.696 58.200 0.130 0.000 1.054 140 S CB 0.502 63.761 63.200 0.097 0.000 0.899 140 S HN 1.196 nan 8.310 nan 0.000 0.497 141 T N -0.237 114.387 114.554 0.117 0.000 2.838 141 T HA 0.539 4.888 4.350 -0.002 0.000 0.292 141 T C -2.589 172.159 174.700 0.080 0.000 1.113 141 T CA -1.801 60.382 62.100 0.137 0.000 1.008 141 T CB 0.971 69.850 68.868 0.019 0.000 1.259 141 T HN 0.200 nan 8.240 nan 0.000 0.520 142 P HA 0.168 nan 4.420 nan 0.000 0.225 142 P C 1.005 178.310 177.300 0.008 0.000 1.148 142 P CA 0.691 63.813 63.100 0.037 0.000 0.779 142 P CB -0.112 31.610 31.700 0.036 0.000 0.780 143 L N -2.530 118.686 121.223 -0.011 0.000 2.667 143 L HA 0.391 4.730 4.340 -0.002 0.000 0.232 143 L C 1.117 177.964 176.870 -0.038 0.000 1.138 143 L CA -0.021 54.798 54.840 -0.034 0.000 0.921 143 L CB -0.707 41.314 42.059 -0.064 0.000 1.180 143 L HN 0.059 nan 8.230 nan 0.000 0.487 144 G N 0.640 109.429 108.800 -0.018 0.000 2.660 144 G HA2 -0.160 3.798 3.960 -0.002 0.000 0.247 144 G HA3 -0.160 3.798 3.960 -0.002 0.000 0.247 144 G C -2.911 171.974 174.900 -0.026 0.000 1.328 144 G CA -1.192 43.897 45.100 -0.018 0.000 0.884 144 G HN -0.023 nan 8.290 nan 0.000 0.531 145 P HA 0.439 nan 4.420 nan 0.000 0.265 145 P C -0.227 177.015 177.300 -0.097 0.000 1.193 145 P CA -0.110 62.974 63.100 -0.026 0.000 0.765 145 P CB 1.127 32.816 31.700 -0.019 0.000 0.823 146 V N 3.387 123.217 119.914 -0.141 0.000 2.841 146 V HA 0.295 4.414 4.120 -0.002 0.000 0.310 146 V C -0.427 175.393 176.094 -0.457 0.000 1.090 146 V CA -0.676 61.406 62.300 -0.364 0.000 0.930 146 V CB 2.410 33.874 31.823 -0.598 0.000 1.014 146 V HN 0.375 nan 8.190 nan 0.000 0.425 147 D N 2.835 122.928 120.400 -0.511 0.000 2.225 147 D HA 0.604 5.242 4.640 -0.002 0.000 0.248 147 D C -0.795 175.066 176.300 -0.732 0.000 1.096 147 D CA 0.317 54.042 54.000 -0.459 0.000 0.863 147 D CB 1.315 41.943 40.800 -0.286 0.000 1.156 147 D HN 0.244 nan 8.370 nan 0.000 0.450 148 F N 0.025 119.568 119.950 -0.678 0.000 2.579 148 F HA 0.669 5.195 4.527 -0.002 0.000 0.324 148 F C 0.838 176.337 175.800 -0.502 0.000 1.058 148 F CA -0.834 56.756 58.000 -0.683 0.000 0.944 148 F CB 2.566 40.870 39.000 -1.159 0.000 1.245 148 F HN 0.275 nan 8.300 nan 0.000 0.477 149 G N 1.819 110.664 108.800 0.074 0.000 2.618 149 G HA2 0.293 4.252 3.960 -0.002 0.000 0.280 149 G HA3 0.293 4.252 3.960 -0.002 0.000 0.280 149 G C -1.707 173.427 174.900 0.390 0.000 1.458 149 G CA -0.808 44.411 45.100 0.197 0.000 1.224 149 G HN 0.431 nan 8.290 nan 0.000 0.576 150 N N 0.714 119.669 118.700 0.425 0.000 2.518 150 N HA 0.350 5.088 4.740 -0.002 0.000 0.283 150 N C -0.169 175.543 175.510 0.336 0.000 1.119 150 N CA -0.235 53.086 53.050 0.452 0.000 0.983 150 N CB 2.562 41.306 38.487 0.428 0.000 1.139 150 N HN 0.178 nan 8.380 nan 0.000 0.465 151 V N 2.225 122.334 119.914 0.325 0.000 2.370 151 V HA 0.272 4.391 4.120 -0.002 0.000 0.279 151 V C 0.117 176.360 176.094 0.250 0.000 1.029 151 V CA -0.673 61.744 62.300 0.195 0.000 0.870 151 V CB 1.435 33.275 31.823 0.029 0.000 0.984 151 V HN 0.293 nan 8.190 nan 0.000 0.451 152 V N 4.594 124.618 119.914 0.183 0.000 2.350 152 V HA 0.738 4.856 4.120 -0.002 0.000 0.285 152 V C 0.284 176.477 176.094 0.165 0.000 1.014 152 V CA -0.485 61.918 62.300 0.172 0.000 0.831 152 V CB 1.501 33.428 31.823 0.174 0.000 1.000 152 V HN 0.941 nan 8.190 nan 0.000 0.433 153 A N 3.517 126.444 122.820 0.177 0.000 2.291 153 A HA 0.798 5.116 4.320 -0.002 0.000 0.311 153 A C 0.032 177.858 177.584 0.404 0.000 1.224 153 A CA -0.424 51.773 52.037 0.267 0.000 0.821 153 A CB 0.907 19.984 19.000 0.128 0.000 1.172 153 A HN 0.663 nan 8.150 nan 0.000 0.494 154 T N 3.654 118.436 114.554 0.380 0.000 2.791 154 T HA 0.290 4.638 4.350 -0.002 0.000 0.288 154 T C 1.122 175.832 174.700 0.017 0.000 0.999 154 T CA -0.323 61.855 62.100 0.131 0.000 0.952 154 T CB 1.216 70.077 68.868 -0.011 0.000 0.938 154 T HN 0.580 nan 8.240 nan 0.000 0.444 155 L N 2.286 123.226 121.223 -0.471 0.000 1.994 155 L HA 0.154 4.493 4.340 -0.002 0.000 0.208 155 L C 0.511 177.130 176.870 -0.418 0.000 1.071 155 L CA 2.005 56.245 54.840 -1.000 0.000 0.745 155 L CB -0.049 41.163 42.059 -1.411 0.000 0.892 155 L HN 0.561 nan 8.230 nan 0.000 0.431 156 D N -1.596 118.649 120.400 -0.258 0.000 2.440 156 D HA 0.296 4.935 4.640 -0.002 0.000 0.252 156 D C -2.097 174.169 176.300 -0.057 0.000 1.180 156 D CA -2.289 51.632 54.000 -0.131 0.000 0.894 156 D CB 1.551 42.281 40.800 -0.117 0.000 1.111 156 D HN -0.001 nan 8.370 nan 0.000 0.544 157 P HA -0.015 nan 4.420 nan 0.000 0.228 157 P C 0.962 178.286 177.300 0.040 0.000 1.151 157 P CA 0.700 63.776 63.100 -0.039 0.000 0.770 157 P CB 0.319 31.913 31.700 -0.177 0.000 0.786 158 R N -0.414 120.095 120.500 0.014 0.000 2.189 158 R HA 0.158 4.497 4.340 -0.002 0.000 0.218 158 R C 1.110 177.438 176.300 0.047 0.000 1.074 158 R CA 0.259 56.369 56.100 0.017 0.000 0.991 158 R CB -0.547 29.748 30.300 -0.008 0.000 0.883 158 R HN 0.124 nan 8.270 nan 0.000 0.457 159 A N 0.850 123.714 122.820 0.073 0.000 2.445 159 A HA 0.371 4.690 4.320 -0.002 0.000 0.242 159 A C 1.361 179.053 177.584 0.179 0.000 1.075 159 A CA 0.398 52.486 52.037 0.085 0.000 0.777 159 A CB 0.370 19.411 19.000 0.068 0.000 1.013 159 A HN 0.335 nan 8.150 nan 0.000 0.493 160 A N 2.276 125.168 122.820 0.120 0.000 1.902 160 A HA 0.041 4.359 4.320 -0.002 0.000 0.217 160 A C 1.337 179.027 177.584 0.177 0.000 1.181 160 A CA 1.263 53.389 52.037 0.149 0.000 0.623 160 A CB -0.091 18.939 19.000 0.050 0.000 0.818 160 A HN 0.777 nan 8.150 nan 0.000 0.443 161 R N -2.146 118.390 120.500 0.059 0.000 2.781 161 R HA 0.533 4.871 4.340 -0.002 0.000 0.269 161 R C -1.692 174.553 176.300 -0.092 0.000 1.025 161 R CA -0.468 55.561 56.100 -0.119 0.000 0.914 161 R CB 1.513 31.770 30.300 -0.072 0.000 1.236 161 R HN 0.698 nan 8.270 nan 0.000 0.465 162 H N -1.564 117.512 119.070 0.009 0.000 3.046 162 H HA 0.397 4.952 4.556 -0.002 0.000 0.363 162 H C -1.167 174.142 175.328 -0.033 0.000 1.203 162 H CA -0.984 55.055 56.048 -0.015 0.000 1.169 162 H CB 0.813 30.546 29.762 -0.050 0.000 1.851 162 H HN 0.348 nan 8.280 nan 0.000 0.546 163 L N 1.757 123.022 121.223 0.070 0.000 2.410 163 L HA 0.385 4.724 4.340 -0.002 0.000 0.273 163 L C -0.484 176.345 176.870 -0.069 0.000 1.144 163 L CA 0.740 55.497 54.840 -0.139 0.000 0.863 163 L CB 0.567 42.382 42.059 -0.407 0.000 1.140 163 L HN 0.867 nan 8.230 nan 0.000 0.463 164 T N 6.976 121.459 114.554 -0.118 0.000 2.770 164 T HA 0.539 4.888 4.350 -0.002 0.000 0.283 164 T C -0.250 174.196 174.700 -0.423 0.000 0.988 164 T CA -0.354 61.615 62.100 -0.219 0.000 0.957 164 T CB 0.592 69.343 68.868 -0.195 0.000 0.930 164 T HN 0.457 nan 8.240 nan 0.000 0.443 165 L N 2.722 123.704 121.223 -0.402 0.000 2.317 165 L HA 0.881 5.220 4.340 -0.002 0.000 0.281 165 L C 0.150 176.680 176.870 -0.567 0.000 1.024 165 L CA -0.961 53.605 54.840 -0.457 0.000 0.810 165 L CB 1.384 43.253 42.059 -0.317 0.000 1.240 165 L HN 0.681 nan 8.230 nan 0.000 0.427 166 A N 2.111 124.568 122.820 -0.606 0.000 2.515 166 A HA 0.930 5.248 4.320 -0.002 0.000 0.296 166 A C -0.746 176.647 177.584 -0.319 0.000 1.094 166 A CA -0.514 51.188 52.037 -0.557 0.000 0.718 166 A CB 1.861 20.413 19.000 -0.748 0.000 1.307 166 A HN 0.974 nan 8.150 nan 0.000 0.408 167 C N -0.696 118.479 119.300 -0.208 0.000 3.284 167 C HA 0.869 5.328 4.460 -0.002 0.000 0.348 167 C C -0.805 174.277 174.990 0.154 0.000 1.448 167 C CA -0.702 58.307 59.018 -0.015 0.000 1.223 167 C CB 0.535 28.227 27.740 -0.079 0.000 1.588 167 C HN 1.552 nan 8.230 nan 0.000 0.451 168 H N -0.819 118.355 119.070 0.174 0.000 2.469 168 H HA 0.659 5.214 4.556 -0.002 0.000 0.342 168 H C -0.158 175.334 175.328 0.273 0.000 1.115 168 H CA -0.336 55.847 56.048 0.225 0.000 1.204 168 H CB 0.873 30.760 29.762 0.208 0.000 1.492 168 H HN 0.894 nan 8.280 nan 0.000 0.499 169 Y N 0.986 121.437 120.300 0.251 0.000 2.449 169 Y HA 0.179 4.727 4.550 -0.002 0.000 0.254 169 Y C -0.158 175.855 175.900 0.188 0.000 1.140 169 Y CA -0.745 57.451 58.100 0.161 0.000 1.272 169 Y CB 0.058 38.627 38.460 0.183 0.000 1.114 169 Y HN 0.666 nan 8.280 nan 0.000 0.525 170 D N 2.036 122.379 120.400 -0.096 0.000 2.360 170 D HA 0.164 4.803 4.640 -0.002 0.000 0.242 170 D C -0.158 176.291 176.300 0.248 0.000 1.184 170 D CA 0.194 54.196 54.000 0.004 0.000 0.930 170 D CB 1.669 42.456 40.800 -0.020 0.000 1.161 170 D HN 0.317 nan 8.370 nan 0.000 0.447 171 S N -0.616 115.203 115.700 0.197 0.000 2.537 171 S HA 0.354 4.822 4.470 -0.002 0.000 0.301 171 S C -0.141 174.621 174.600 0.271 0.000 1.092 171 S CA -1.145 57.240 58.200 0.309 0.000 1.048 171 S CB 2.006 65.352 63.200 0.242 0.000 1.053 171 S HN 0.578 nan 8.310 nan 0.000 0.501 172 K N 1.259 121.847 120.400 0.313 0.000 2.412 172 K HA 0.190 4.509 4.320 -0.002 0.000 0.281 172 K C -0.449 176.076 176.600 -0.125 0.000 1.027 172 K CA -0.644 55.592 56.287 -0.084 0.000 0.989 172 K CB 0.194 32.366 32.500 -0.547 0.000 0.935 172 K HN 0.630 nan 8.250 nan 0.000 0.475 173 L N 5.623 126.708 121.223 -0.231 0.000 2.462 173 L HA 0.246 4.585 4.340 -0.002 0.000 0.272 173 L C -1.313 175.260 176.870 -0.495 0.000 1.166 173 L CA 0.809 55.529 54.840 -0.200 0.000 0.880 173 L CB -0.122 41.845 42.059 -0.153 0.000 1.142 173 L HN 0.504 nan 8.230 nan 0.000 0.473 174 F N 5.024 124.926 119.950 -0.080 0.000 2.561 174 F HA 0.659 5.185 4.527 -0.002 0.000 0.321 174 F C -1.636 174.139 175.800 -0.040 0.000 1.065 174 F CA -1.602 56.346 58.000 -0.087 0.000 0.934 174 F CB 0.847 39.787 39.000 -0.099 0.000 1.215 174 F HN 0.481 nan 8.300 nan 0.000 0.471 175 P HA 0.306 nan 4.420 nan 0.000 0.274 175 P C -2.643 174.708 177.300 0.085 0.000 1.246 175 P CA -1.158 61.991 63.100 0.082 0.000 0.795 175 P CB -0.184 31.552 31.700 0.059 0.000 1.006 176 P HA 0.209 nan 4.420 nan 0.000 0.269 176 P C 0.839 178.160 177.300 0.034 0.000 1.217 176 P CA 0.763 63.887 63.100 0.040 0.000 0.783 176 P CB -0.054 31.661 31.700 0.024 0.000 0.898 177 G N -0.722 108.093 108.800 0.025 0.000 2.179 177 G HA2 -0.146 3.812 3.960 -0.002 0.000 0.220 177 G HA3 -0.146 3.812 3.960 -0.002 0.000 0.220 177 G C 0.287 175.193 174.900 0.010 0.000 0.990 177 G CA 0.034 45.144 45.100 0.016 0.000 0.646 177 G HN 0.620 nan 8.290 nan 0.000 0.517 178 S N -0.660 115.045 115.700 0.009 0.000 2.751 178 S HA 0.750 5.219 4.470 -0.002 0.000 0.310 178 S C 0.276 174.872 174.600 -0.007 0.000 1.128 178 S CA -0.135 58.060 58.200 -0.009 0.000 0.931 178 S CB 1.472 64.649 63.200 -0.038 0.000 1.177 178 S HN 0.378 nan 8.310 nan 0.000 0.530 179 T N 4.109 118.652 114.554 -0.018 0.000 2.902 179 T HA 0.213 4.562 4.350 -0.002 0.000 0.301 179 T C -2.315 172.381 174.700 -0.007 0.000 1.012 179 T CA -0.310 61.782 62.100 -0.014 0.000 1.151 179 T CB -0.056 68.800 68.868 -0.021 0.000 0.946 179 T HN 0.248 nan 8.240 nan 0.000 0.542 180 P HA 0.154 nan 4.420 nan 0.000 0.268 180 P C -0.707 176.620 177.300 0.045 0.000 1.205 180 P CA -0.407 62.717 63.100 0.041 0.000 0.771 180 P CB 0.289 32.003 31.700 0.024 0.000 0.858 181 F N 4.129 124.058 119.950 -0.034 0.000 2.421 181 F HA 0.220 4.746 4.527 -0.002 0.000 0.358 181 F C 0.954 176.768 175.800 0.023 0.000 1.115 181 F CA -0.227 57.752 58.000 -0.035 0.000 1.160 181 F CB 0.592 39.588 39.000 -0.007 0.000 1.123 181 F HN 0.109 nan 8.300 nan 0.000 0.508 182 V N 3.268 122.803 119.914 -0.632 0.000 3.528 182 V HA 0.390 4.509 4.120 -0.002 0.000 0.294 182 V C 1.003 176.736 176.094 -0.601 0.000 1.404 182 V CA 0.182 62.214 62.300 -0.446 0.000 1.065 182 V CB -0.354 31.323 31.823 -0.244 0.000 0.904 182 V HN 1.265 nan 8.190 nan 0.000 0.435 183 G N 1.190 109.245 108.800 -1.243 0.000 2.370 183 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.293 183 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.293 183 G C 0.945 175.697 174.900 -0.248 0.000 0.992 183 G CA 0.677 45.406 45.100 -0.619 0.000 1.247 183 G HN 1.392 nan 8.290 nan 0.000 0.505 184 A N 0.396 123.079 122.820 -0.228 0.000 1.902 184 A HA 0.074 4.393 4.320 -0.002 0.000 0.217 184 A C 2.642 180.178 177.584 -0.080 0.000 1.181 184 A CA 2.648 54.598 52.037 -0.145 0.000 0.623 184 A CB -0.589 18.338 19.000 -0.121 0.000 0.818 184 A HN 1.669 nan 8.150 nan 0.000 0.443 185 T N -3.628 110.920 114.554 -0.009 0.000 3.088 185 T HA 0.063 4.412 4.350 -0.002 0.000 0.259 185 T C 0.329 175.066 174.700 0.060 0.000 1.122 185 T CA 1.082 63.204 62.100 0.036 0.000 1.095 185 T CB 0.016 68.940 68.868 0.093 0.000 0.930 185 T HN 0.265 nan 8.240 nan 0.000 0.508 186 D N 0.559 121.008 120.400 0.082 0.000 2.552 186 D HA 0.343 4.981 4.640 -0.002 0.000 0.285 186 D C -0.736 175.612 176.300 0.080 0.000 1.206 186 D CA -0.497 53.622 54.000 0.199 0.000 0.826 186 D CB 0.362 41.408 40.800 0.410 0.000 1.179 186 D HN 0.090 nan 8.370 nan 0.000 0.508 187 S N 0.415 115.972 115.700 -0.240 0.000 2.665 187 S HA 0.372 4.841 4.470 -0.002 0.000 0.235 187 S C 1.239 175.762 174.600 -0.127 0.000 1.084 187 S CA 0.019 58.091 58.200 -0.214 0.000 1.151 187 S CB 0.994 63.977 63.200 -0.363 0.000 1.151 187 S HN 0.431 nan 8.310 nan 0.000 0.461 188 A N 0.847 123.608 122.820 -0.098 0.000 1.902 188 A HA -0.024 4.295 4.320 -0.002 0.000 0.217 188 A C 2.029 179.562 177.584 -0.085 0.000 1.181 188 A CA 1.646 53.632 52.037 -0.084 0.000 0.623 188 A CB -0.635 18.289 19.000 -0.127 0.000 0.818 188 A HN 0.429 nan 8.150 nan 0.000 0.443 189 V N 0.474 120.327 119.914 -0.102 0.000 2.261 189 V HA -0.163 3.956 4.120 -0.002 0.000 0.246 189 V C -0.102 175.963 176.094 -0.048 0.000 1.047 189 V CA 2.542 64.781 62.300 -0.102 0.000 1.015 189 V CB -1.454 30.311 31.823 -0.097 0.000 0.642 189 V HN 0.360 nan 8.190 nan 0.000 0.446 190 P HA -0.141 nan 4.420 nan 0.000 0.216 190 P C 1.835 179.133 177.300 -0.003 0.000 1.153 190 P CA 1.725 64.805 63.100 -0.032 0.000 0.858 190 P CB -0.204 31.474 31.700 -0.038 0.000 0.789 191 C N -0.769 118.564 119.300 0.054 0.000 2.429 191 C HA -0.050 4.409 4.460 -0.002 0.000 0.277 191 C C 2.911 177.996 174.990 0.159 0.000 1.262 191 C CA 1.276 60.426 59.018 0.219 0.000 1.733 191 C CB -1.812 26.067 27.740 0.233 0.000 2.010 191 C HN 0.231 nan 8.230 nan 0.000 0.483 192 A N 0.254 123.113 122.820 0.065 0.000 1.930 192 A HA -0.058 4.261 4.320 -0.002 0.000 0.217 192 A C 2.092 179.711 177.584 0.059 0.000 1.175 192 A CA 1.303 53.384 52.037 0.073 0.000 0.627 192 A CB -0.571 18.452 19.000 0.038 0.000 0.815 192 A HN 0.610 nan 8.150 nan 0.000 0.443 193 L N -0.487 120.756 121.223 0.033 0.000 2.042 193 L HA -0.212 4.126 4.340 -0.002 0.000 0.210 193 L C 2.562 179.430 176.870 -0.005 0.000 1.076 193 L CA 1.203 56.060 54.840 0.029 0.000 0.749 193 L CB -0.574 41.488 42.059 0.005 0.000 0.893 193 L HN 0.381 nan 8.230 nan 0.000 0.432 194 L N -0.655 120.552 121.223 -0.027 0.000 2.046 194 L HA -0.232 4.106 4.340 -0.002 0.000 0.208 194 L C 2.533 179.346 176.870 -0.094 0.000 1.077 194 L CA 1.240 56.041 54.840 -0.064 0.000 0.747 194 L CB -0.508 41.470 42.059 -0.136 0.000 0.896 194 L HN 0.300 nan 8.230 nan 0.000 0.432 195 L N -0.343 120.782 121.223 -0.164 0.000 2.046 195 L HA -0.212 4.126 4.340 -0.002 0.000 0.208 195 L C 2.620 179.175 176.870 -0.526 0.000 1.077 195 L CA 1.174 55.697 54.840 -0.528 0.000 0.747 195 L CB -0.467 40.999 42.059 -0.989 0.000 0.896 195 L HN 0.251 nan 8.230 nan 0.000 0.432 196 E N 0.816 120.893 120.200 -0.206 0.000 2.106 196 E HA -0.176 4.172 4.350 -0.002 0.000 0.192 196 E C 2.153 178.793 176.600 0.066 0.000 0.984 196 E CA 1.208 57.674 56.400 0.110 0.000 0.806 196 E CB -0.236 29.625 29.700 0.269 0.000 0.750 196 E HN 0.374 nan 8.360 nan 0.000 0.458 197 L N -0.041 121.198 121.223 0.026 0.000 2.046 197 L HA -0.116 4.222 4.340 -0.002 0.000 0.208 197 L C 2.548 179.451 176.870 0.054 0.000 1.077 197 L CA 1.176 56.046 54.840 0.050 0.000 0.747 197 L CB -0.617 41.465 42.059 0.037 0.000 0.896 197 L HN 0.231 nan 8.230 nan 0.000 0.432 198 A N -0.466 122.352 122.820 -0.003 0.000 1.902 198 A HA -0.280 4.039 4.320 -0.002 0.000 0.217 198 A C 2.217 179.837 177.584 0.061 0.000 1.181 198 A CA 1.944 54.003 52.037 0.038 0.000 0.623 198 A CB -0.491 18.375 19.000 -0.222 0.000 0.818 198 A HN 0.402 nan 8.150 nan 0.000 0.443 199 Q N -0.201 119.603 119.800 0.008 0.000 2.046 199 Q HA 0.050 4.389 4.340 -0.002 0.000 0.200 199 Q C 2.055 178.118 176.000 0.106 0.000 0.975 199 Q CA 2.172 58.022 55.803 0.078 0.000 0.836 199 Q CB -0.636 28.200 28.738 0.163 0.000 0.896 199 Q HN 0.517 nan 8.270 nan 0.000 0.428 200 A N -0.225 122.661 122.820 0.109 0.000 1.969 200 A HA -0.033 4.285 4.320 -0.002 0.000 0.218 200 A C 1.637 179.275 177.584 0.090 0.000 1.169 200 A CA 1.152 53.249 52.037 0.101 0.000 0.635 200 A CB -0.366 18.696 19.000 0.103 0.000 0.810 200 A HN 0.416 nan 8.150 nan 0.000 0.445 201 L N -0.578 120.703 121.223 0.098 0.000 2.741 201 L HA 0.104 4.442 4.340 -0.002 0.000 0.237 201 L C 1.378 178.312 176.870 0.107 0.000 1.178 201 L CA 0.099 54.995 54.840 0.094 0.000 0.973 201 L CB 0.116 42.233 42.059 0.096 0.000 1.255 201 L HN 0.317 nan 8.230 nan 0.000 0.498 202 D N 0.800 121.271 120.400 0.118 0.000 2.123 202 D HA -0.250 4.389 4.640 -0.002 0.000 0.196 202 D C 2.064 178.421 176.300 0.094 0.000 0.992 202 D CA 1.382 55.464 54.000 0.137 0.000 0.833 202 D CB 0.264 41.142 40.800 0.129 0.000 0.954 202 D HN 0.216 nan 8.370 nan 0.000 0.455 203 L N 0.613 121.877 121.223 0.069 0.000 2.027 203 L HA -0.077 4.262 4.340 -0.002 0.000 0.206 203 L C 1.896 178.788 176.870 0.037 0.000 1.074 203 L CA 1.830 56.699 54.840 0.048 0.000 0.745 203 L CB -0.597 41.486 42.059 0.041 0.000 0.898 203 L HN -0.041 nan 8.230 nan 0.000 0.433 204 E N -0.438 119.785 120.200 0.039 0.000 2.106 204 E HA -0.151 4.198 4.350 -0.002 0.000 0.192 204 E C 2.217 178.826 176.600 0.015 0.000 0.984 204 E CA 1.385 57.800 56.400 0.026 0.000 0.806 204 E CB -0.313 29.405 29.700 0.031 0.000 0.750 204 E HN 0.467 nan 8.360 nan 0.000 0.458 205 L N 0.273 121.511 121.223 0.026 0.000 2.046 205 L HA -0.175 4.164 4.340 -0.002 0.000 0.208 205 L C 2.515 179.355 176.870 -0.050 0.000 1.077 205 L CA 1.121 55.953 54.840 -0.014 0.000 0.747 205 L CB -0.429 41.648 42.059 0.029 0.000 0.896 205 L HN 0.157 nan 8.230 nan 0.000 0.432 206 S N -0.153 115.540 115.700 -0.012 0.000 2.368 206 S HA -0.180 4.288 4.470 -0.002 0.000 0.225 206 S C 2.143 176.728 174.600 -0.026 0.000 1.030 206 S CA 1.345 59.533 58.200 -0.021 0.000 0.999 206 S CB -0.043 63.166 63.200 0.015 0.000 0.844 206 S HN 0.335 nan 8.310 nan 0.000 0.459 207 R N 0.271 120.763 120.500 -0.013 0.000 2.093 207 R HA 0.185 4.524 4.340 -0.002 0.000 0.224 207 R C 2.642 178.930 176.300 -0.021 0.000 1.101 207 R CA 0.989 57.083 56.100 -0.011 0.000 0.979 207 R CB -0.444 29.855 30.300 -0.001 0.000 0.877 207 R HN 0.458 nan 8.270 nan 0.000 0.441 208 A N 1.677 124.481 122.820 -0.028 0.000 1.902 208 A HA -0.218 4.100 4.320 -0.002 0.000 0.217 208 A C 2.046 179.600 177.584 -0.050 0.000 1.181 208 A CA 1.537 53.553 52.037 -0.034 0.000 0.623 208 A CB -0.343 18.637 19.000 -0.034 0.000 0.818 208 A HN 0.229 nan 8.150 nan 0.000 0.443 209 K N 0.016 120.372 120.400 -0.074 0.000 2.026 209 K HA -0.164 4.155 4.320 -0.002 0.000 0.208 209 K C 1.892 178.460 176.600 -0.053 0.000 1.048 209 K CA 1.619 57.855 56.287 -0.085 0.000 0.929 209 K CB -0.176 32.247 32.500 -0.128 0.000 0.713 209 K HN 0.368 nan 8.250 nan 0.000 0.439 210 K N 0.483 120.859 120.400 -0.041 0.000 2.147 210 K HA -0.164 4.154 4.320 -0.002 0.000 0.205 210 K C 1.879 178.466 176.600 -0.021 0.000 1.049 210 K CA 1.375 57.646 56.287 -0.026 0.000 0.936 210 K CB -0.021 32.468 32.500 -0.018 0.000 0.722 210 K HN 0.414 nan 8.250 nan 0.000 0.446 211 Q N -0.151 119.636 119.800 -0.022 0.000 2.466 211 Q HA 0.120 4.459 4.340 -0.002 0.000 0.210 211 Q C 0.211 176.199 176.000 -0.019 0.000 0.961 211 Q CA 0.241 56.033 55.803 -0.018 0.000 0.953 211 Q CB 0.219 28.947 28.738 -0.016 0.000 1.011 211 Q HN 0.313 nan 8.270 nan 0.000 0.516 212 A N 0.388 123.194 122.820 -0.024 0.000 2.687 212 A HA -0.184 4.135 4.320 -0.002 0.000 0.299 212 A C 0.575 178.147 177.584 -0.019 0.000 1.497 212 A CA 0.345 52.369 52.037 -0.022 0.000 0.751 212 A CB -1.989 17.001 19.000 -0.017 0.000 1.048 212 A HN 0.526 nan 8.150 nan 0.000 0.464 213 A N 0.409 123.215 122.820 -0.024 0.000 2.520 213 A HA 0.469 4.787 4.320 -0.002 0.000 0.235 213 A C 0.199 177.777 177.584 -0.010 0.000 1.065 213 A CA -0.118 51.908 52.037 -0.018 0.000 0.764 213 A CB 0.049 19.036 19.000 -0.022 0.000 1.002 213 A HN 0.606 nan 8.150 nan 0.000 0.502 214 P HA 0.030 nan 4.420 nan 0.000 0.224 214 P C -0.022 177.289 177.300 0.019 0.000 1.157 214 P CA 0.810 63.913 63.100 0.005 0.000 0.799 214 P CB 0.041 31.741 31.700 0.001 0.000 0.809 215 V N 0.379 120.306 119.914 0.021 0.000 2.409 215 V HA 0.312 4.430 4.120 -0.002 0.000 0.291 215 V C 0.589 176.709 176.094 0.042 0.000 1.020 215 V CA -0.326 62.002 62.300 0.048 0.000 0.848 215 V CB 1.305 33.170 31.823 0.070 0.000 0.990 215 V HN 0.036 nan 8.190 nan 0.000 0.430 216 T N 4.123 118.709 114.554 0.054 0.000 2.893 216 T HA 0.725 5.074 4.350 -0.002 0.000 0.281 216 T C -0.919 173.787 174.700 0.011 0.000 1.027 216 T CA -0.387 61.708 62.100 -0.008 0.000 0.953 216 T CB 1.314 70.150 68.868 -0.053 0.000 1.434 216 T HN 0.402 nan 8.240 nan 0.000 0.597 217 L N 1.742 122.905 121.223 -0.100 0.000 2.362 217 L HA 0.652 4.990 4.340 -0.002 0.000 0.271 217 L C -0.791 176.041 176.870 -0.064 0.000 1.002 217 L CA -0.373 54.436 54.840 -0.051 0.000 0.818 217 L CB 1.738 43.790 42.059 -0.013 0.000 1.298 217 L HN 0.718 nan 8.230 nan 0.000 0.420 218 Q N 3.998 123.783 119.800 -0.025 0.000 2.347 218 Q HA 0.678 5.016 4.340 -0.002 0.000 0.271 218 Q C -2.132 173.853 176.000 -0.026 0.000 1.064 218 Q CA -0.676 55.096 55.803 -0.053 0.000 0.800 218 Q CB 1.902 30.373 28.738 -0.446 0.000 1.304 218 Q HN 0.757 nan 8.270 nan 0.000 0.438 219 L N 4.569 125.807 121.223 0.024 0.000 2.356 219 L HA 0.553 4.892 4.340 -0.002 0.000 0.277 219 L C -0.980 175.744 176.870 -0.244 0.000 0.996 219 L CA -0.764 53.947 54.840 -0.215 0.000 0.822 219 L CB 1.601 43.519 42.059 -0.234 0.000 1.256 219 L HN 0.524 nan 8.230 nan 0.000 0.413 220 L N 3.573 124.541 121.223 -0.425 0.000 2.325 220 L HA 0.512 4.851 4.340 -0.002 0.000 0.281 220 L C -1.114 175.520 176.870 -0.394 0.000 1.004 220 L CA -0.285 54.408 54.840 -0.245 0.000 0.823 220 L CB 1.441 43.402 42.059 -0.162 0.000 1.236 220 L HN 0.412 nan 8.230 nan 0.000 0.415 221 F N 4.064 124.061 119.950 0.079 0.000 2.347 221 F HA 0.455 4.981 4.527 -0.002 0.000 0.366 221 F C 0.029 176.062 175.800 0.389 0.000 1.107 221 F CA -0.513 57.599 58.000 0.187 0.000 1.058 221 F CB 1.037 40.083 39.000 0.076 0.000 1.236 221 F HN 0.224 nan 8.300 nan 0.000 0.456 222 L N 2.933 124.438 121.223 0.470 0.000 2.350 222 L HA 0.358 4.697 4.340 -0.002 0.000 0.275 222 L C 0.070 177.138 176.870 0.331 0.000 1.099 222 L CA -0.438 54.655 54.840 0.422 0.000 0.808 222 L CB 0.726 42.997 42.059 0.353 0.000 1.149 222 L HN 0.468 nan 8.230 nan 0.000 0.442 223 D N 1.171 121.723 120.400 0.254 0.000 2.340 223 D HA 0.365 5.004 4.640 -0.002 0.000 0.251 223 D C 0.845 177.257 176.300 0.187 0.000 1.080 223 D CA 0.464 54.450 54.000 -0.023 0.000 0.971 223 D CB 1.629 42.490 40.800 0.101 0.000 1.137 223 D HN 0.680 nan 8.370 nan 0.000 0.475 224 G N 1.991 110.915 108.800 0.207 0.000 2.283 224 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.280 224 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.280 224 G C 0.950 175.991 174.900 0.235 0.000 1.029 224 G CA 0.825 46.125 45.100 0.333 0.000 0.840 224 G HN 0.593 nan 8.290 nan 0.000 0.505 225 E N -0.037 120.237 120.200 0.123 0.000 2.077 225 E HA -0.111 4.238 4.350 -0.002 0.000 0.193 225 E C 1.054 177.707 176.600 0.088 0.000 0.989 225 E CA 1.055 57.483 56.400 0.047 0.000 0.800 225 E CB 0.047 29.656 29.700 -0.152 0.000 0.746 225 E HN 0.689 nan 8.360 nan 0.000 0.452 226 E N 0.269 120.531 120.200 0.102 0.000 2.349 226 E HA 0.314 4.662 4.350 -0.002 0.000 0.265 226 E C -0.396 176.308 176.600 0.173 0.000 1.064 226 E CA -0.144 56.383 56.400 0.213 0.000 0.886 226 E CB 1.114 30.867 29.700 0.089 0.000 1.036 226 E HN 0.209 nan 8.360 nan 0.000 0.413 227 A N 2.472 125.416 122.820 0.207 0.000 2.498 227 A HA 0.072 4.391 4.320 -0.002 0.000 0.239 227 A C 1.140 178.759 177.584 0.059 0.000 1.068 227 A CA -0.016 52.085 52.037 0.107 0.000 0.766 227 A CB 0.078 19.168 19.000 0.150 0.000 1.003 227 A HN 0.667 nan 8.150 nan 0.000 0.497 228 L N 0.835 122.117 121.223 0.097 0.000 2.270 228 L HA 0.017 4.356 4.340 -0.002 0.000 0.210 228 L C 1.991 178.832 176.870 -0.049 0.000 1.104 228 L CA 1.774 56.617 54.840 0.006 0.000 0.804 228 L CB -0.091 41.982 42.059 0.024 0.000 0.937 228 L HN 0.975 nan 8.230 nan 0.000 0.450 229 K N -1.349 119.041 120.400 -0.017 0.000 2.608 229 K HA 0.277 4.595 4.320 -0.002 0.000 0.209 229 K C -0.283 176.309 176.600 -0.013 0.000 1.369 229 K CA -0.300 55.964 56.287 -0.039 0.000 1.029 229 K CB 0.807 33.296 32.500 -0.019 0.000 1.139 229 K HN -0.077 nan 8.250 nan 0.000 0.623 230 E N 0.429 120.644 120.200 0.025 0.000 3.939 230 E HA 0.032 4.381 4.350 -0.002 0.000 0.383 230 E C -2.045 174.637 176.600 0.136 0.000 1.054 230 E CA -0.460 55.989 56.400 0.081 0.000 0.820 230 E CB 0.029 29.767 29.700 0.065 0.000 1.254 230 E HN 0.295 nan 8.360 nan 0.000 0.517 231 W N 5.475 126.792 121.300 0.029 0.000 2.251 231 W HA 0.536 5.195 4.660 -0.002 0.000 0.327 231 W C -0.044 176.489 176.519 0.023 0.000 1.361 231 W CA 1.525 58.895 57.345 0.041 0.000 1.234 231 W CB 0.630 30.152 29.460 0.103 0.000 1.212 231 W HN 0.731 nan 8.180 nan 0.000 0.557 232 G N 5.882 114.493 108.800 -0.315 0.000 2.495 232 G HA2 0.223 4.182 3.960 -0.002 0.000 0.294 232 G HA3 0.223 4.182 3.960 -0.002 0.000 0.294 232 G C -2.426 172.253 174.900 -0.368 0.000 1.397 232 G CA -0.721 44.268 45.100 -0.186 0.000 0.790 232 G HN 0.090 nan 8.290 nan 0.000 0.486 233 P HA -0.046 nan 4.420 nan 0.000 0.217 233 P C 1.015 178.131 177.300 -0.308 0.000 1.148 233 P CA 1.328 64.287 63.100 -0.235 0.000 0.828 233 P CB 0.221 31.844 31.700 -0.129 0.000 0.783 234 K N -1.696 118.540 120.400 -0.272 0.000 2.355 234 K HA 0.087 4.406 4.320 -0.002 0.000 0.198 234 K C 0.331 176.706 176.600 -0.375 0.000 1.039 234 K CA 0.176 56.293 56.287 -0.283 0.000 1.075 234 K CB 0.286 32.694 32.500 -0.154 0.000 0.870 234 K HN -0.037 nan 8.250 nan 0.000 0.540 235 D N 1.327 121.490 120.400 -0.395 0.000 2.441 235 D HA 0.183 4.821 4.640 -0.002 0.000 0.287 235 D C -1.397 174.573 176.300 -0.550 0.000 1.198 235 D CA -0.215 53.576 54.000 -0.348 0.000 0.894 235 D CB 0.152 40.901 40.800 -0.084 0.000 1.070 235 D HN 0.087 nan 8.370 nan 0.000 0.499 236 S N 0.678 115.828 115.700 -0.917 0.000 2.712 236 S HA 0.241 4.710 4.470 -0.002 0.000 0.279 236 S C -0.190 173.910 174.600 -0.833 0.000 1.025 236 S CA -0.920 56.707 58.200 -0.955 0.000 0.861 236 S CB 0.030 62.121 63.200 -1.848 0.000 1.091 236 S HN 0.378 nan 8.310 nan 0.000 0.457 237 L N 0.309 121.244 121.223 -0.479 0.000 3.717 237 L HA -0.274 4.064 4.340 -0.002 0.000 0.414 237 L C 0.803 177.531 176.870 -0.238 0.000 1.228 237 L CA 0.666 55.353 54.840 -0.254 0.000 0.918 237 L CB -2.457 39.447 42.059 -0.257 0.000 1.865 237 L HN 0.848 nan 8.230 nan 0.000 0.922 238 Y N 0.266 120.429 120.300 -0.228 0.000 2.145 238 Y HA -0.154 4.395 4.550 -0.002 0.000 0.286 238 Y C 2.447 178.275 175.900 -0.119 0.000 1.145 238 Y CA 1.955 59.862 58.100 -0.322 0.000 1.148 238 Y CB -0.354 37.596 38.460 -0.850 0.000 0.981 238 Y HN 0.383 nan 8.280 nan 0.000 0.507 239 G N -0.637 108.282 108.800 0.198 0.000 2.404 239 G HA2 -0.254 3.704 3.960 -0.002 0.000 0.215 239 G HA3 -0.254 3.704 3.960 -0.002 0.000 0.215 239 G C 1.837 176.869 174.900 0.221 0.000 1.174 239 G CA 1.232 46.539 45.100 0.345 0.000 0.780 239 G HN 0.472 nan 8.290 nan 0.000 0.537 240 S N 0.586 116.396 115.700 0.184 0.000 2.383 240 S HA -0.029 4.440 4.470 -0.002 0.000 0.227 240 S C 2.231 176.780 174.600 -0.086 0.000 1.026 240 S CA 0.968 59.288 58.200 0.199 0.000 0.981 240 S CB -0.309 63.069 63.200 0.297 0.000 0.818 240 S HN 0.404 nan 8.310 nan 0.000 0.472 241 R N 0.269 120.675 120.500 -0.157 0.000 2.081 241 R HA -0.083 4.256 4.340 -0.002 0.000 0.235 241 R C 2.604 178.723 176.300 -0.301 0.000 1.131 241 R CA 1.599 57.538 56.100 -0.268 0.000 0.960 241 R CB -0.626 29.519 30.300 -0.259 0.000 0.856 241 R HN 0.619 nan 8.270 nan 0.000 0.436 242 H N 0.541 119.373 119.070 -0.397 0.000 2.357 242 H HA -0.092 4.463 4.556 -0.002 0.000 0.301 242 H C 2.002 177.120 175.328 -0.349 0.000 1.082 242 H CA 1.430 57.139 56.048 -0.564 0.000 1.342 242 H CB 0.164 29.120 29.762 -1.342 0.000 1.389 242 H HN 0.095 nan 8.280 nan 0.000 0.511 243 L N 1.128 122.281 121.223 -0.117 0.000 2.093 243 L HA 0.011 4.350 4.340 -0.002 0.000 0.208 243 L C 2.644 179.450 176.870 -0.107 0.000 1.085 243 L CA 1.814 56.665 54.840 0.018 0.000 0.755 243 L CB -0.994 41.242 42.059 0.295 0.000 0.904 243 L HN 0.282 nan 8.230 nan 0.000 0.435 244 A N -0.934 121.639 122.820 -0.411 0.000 1.902 244 A HA -0.253 4.066 4.320 -0.002 0.000 0.217 244 A C 2.258 179.607 177.584 -0.392 0.000 1.181 244 A CA 1.639 53.256 52.037 -0.700 0.000 0.623 244 A CB -0.680 17.524 19.000 -1.327 0.000 0.818 244 A HN 0.548 nan 8.150 nan 0.000 0.443 245 Q N -0.409 119.156 119.800 -0.390 0.000 2.084 245 Q HA -0.139 4.200 4.340 -0.002 0.000 0.202 245 Q C 1.842 177.678 176.000 -0.272 0.000 0.978 245 Q CA 1.833 57.443 55.803 -0.321 0.000 0.844 245 Q CB -0.601 27.929 28.738 -0.348 0.000 0.898 245 Q HN 0.517 nan 8.270 nan 0.000 0.426 246 L N -0.373 120.654 121.223 -0.326 0.000 2.017 246 L HA -0.113 4.226 4.340 -0.002 0.000 0.208 246 L C 2.162 178.984 176.870 -0.080 0.000 1.073 246 L CA 1.974 56.689 54.840 -0.208 0.000 0.745 246 L CB -0.476 41.468 42.059 -0.192 0.000 0.894 246 L HN 0.344 nan 8.230 nan 0.000 0.432 247 M N -0.874 118.701 119.600 -0.041 0.000 2.159 247 M HA -0.230 4.249 4.480 -0.002 0.000 0.263 247 M C 2.216 178.515 176.300 -0.002 0.000 1.063 247 M CA 1.990 57.306 55.300 0.025 0.000 1.110 247 M CB -0.505 32.163 32.600 0.113 0.000 1.374 247 M HN 0.408 nan 8.290 nan 0.000 0.411 248 E N 0.447 120.615 120.200 -0.053 0.000 2.160 248 E HA -0.208 4.140 4.350 -0.002 0.000 0.195 248 E C 1.768 178.346 176.600 -0.037 0.000 0.991 248 E CA 1.724 58.092 56.400 -0.054 0.000 0.810 248 E CB 0.073 29.713 29.700 -0.099 0.000 0.742 248 E HN 0.516 nan 8.360 nan 0.000 0.466 249 S N -0.479 115.194 115.700 -0.045 0.000 2.558 249 S HA 0.118 4.586 4.470 -0.002 0.000 0.217 249 S C 0.729 175.328 174.600 -0.002 0.000 0.975 249 S CA -0.294 57.886 58.200 -0.032 0.000 0.912 249 S CB -0.039 63.131 63.200 -0.050 0.000 0.776 249 S HN 0.171 nan 8.310 nan 0.000 0.526 250 I N 2.764 123.343 120.570 0.015 0.000 2.362 250 I HA 0.432 4.601 4.170 -0.002 0.000 0.289 250 I C -2.701 173.454 176.117 0.064 0.000 0.994 250 I CA -2.867 58.458 61.300 0.041 0.000 1.158 250 I CB 1.897 39.930 38.000 0.054 0.000 1.315 250 I HN -0.056 nan 8.210 nan 0.000 0.451 251 P HA 0.133 nan 4.420 nan 0.000 0.269 251 P C -1.155 176.227 177.300 0.136 0.000 1.215 251 P CA 0.168 63.311 63.100 0.072 0.000 0.780 251 P CB 0.457 32.179 31.700 0.038 0.000 0.898 252 H N -0.378 118.700 119.070 0.012 0.000 3.012 252 H HA 0.594 5.149 4.556 -0.002 0.000 0.367 252 H C -1.349 173.983 175.328 0.005 0.000 1.211 252 H CA -0.578 55.478 56.048 0.013 0.000 1.139 252 H CB 1.569 31.346 29.762 0.025 0.000 1.838 252 H HN 0.183 nan 8.280 nan 0.000 0.550 253 S N 3.226 118.580 115.700 -0.576 0.000 2.478 253 S HA 0.326 4.795 4.470 -0.002 0.000 0.312 253 S C -1.892 172.529 174.600 -0.298 0.000 1.094 253 S CA -1.535 56.480 58.200 -0.309 0.000 1.081 253 S CB 1.055 64.103 63.200 -0.254 0.000 1.007 253 S HN 0.666 nan 8.310 nan 0.000 0.475 254 P HA 0.197 nan 4.420 nan 0.000 0.224 254 P C 1.227 178.533 177.300 0.010 0.000 1.157 254 P CA 1.060 64.138 63.100 -0.036 0.000 0.799 254 P CB -0.378 31.316 31.700 -0.010 0.000 0.809 255 G N 1.682 110.533 108.800 0.085 0.000 2.596 255 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.304 255 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.304 255 G C -1.508 173.426 174.900 0.057 0.000 1.189 255 G CA 0.778 45.945 45.100 0.111 0.000 0.986 255 G HN 0.242 nan 8.290 nan 0.000 0.548 256 P HA 0.189 nan 4.420 nan 0.000 0.251 256 P C 0.802 178.141 177.300 0.064 0.000 1.223 256 P CA 2.046 65.171 63.100 0.041 0.000 0.796 256 P CB 0.257 31.970 31.700 0.021 0.000 1.068 257 T N -4.042 110.556 114.554 0.073 0.000 2.907 257 T HA 0.407 4.756 4.350 -0.002 0.000 0.290 257 T C 1.100 175.859 174.700 0.097 0.000 1.066 257 T CA -0.857 61.291 62.100 0.080 0.000 1.012 257 T CB 1.880 70.771 68.868 0.038 0.000 1.184 257 T HN -0.259 nan 8.240 nan 0.000 0.522 258 R N -0.130 120.416 120.500 0.076 0.000 2.241 258 R HA 0.025 4.364 4.340 -0.002 0.000 0.224 258 R C 1.969 178.291 176.300 0.036 0.000 1.101 258 R CA 0.637 56.743 56.100 0.010 0.000 0.995 258 R CB -0.415 29.902 30.300 0.027 0.000 0.870 258 R HN 0.584 nan 8.270 nan 0.000 0.463 259 I N 0.930 121.535 120.570 0.059 0.000 2.226 259 I HA -0.251 3.918 4.170 -0.002 0.000 0.245 259 I C 1.657 177.803 176.117 0.048 0.000 1.100 259 I CA 1.611 62.961 61.300 0.082 0.000 1.374 259 I CB -0.616 37.411 38.000 0.044 0.000 1.057 259 I HN 0.145 nan 8.210 nan 0.000 0.413 260 Q N 0.414 120.230 119.800 0.026 0.000 2.436 260 Q HA 0.074 4.412 4.340 -0.002 0.000 0.209 260 Q C 2.139 178.120 176.000 -0.032 0.000 0.965 260 Q CA 1.033 56.843 55.803 0.013 0.000 0.910 260 Q CB -0.344 28.412 28.738 0.029 0.000 0.980 260 Q HN 0.491 nan 8.270 nan 0.000 0.491 261 A N 0.179 122.940 122.820 -0.097 0.000 2.168 261 A HA 0.023 4.342 4.320 -0.002 0.000 0.215 261 A C 0.664 177.912 177.584 -0.561 0.000 1.152 261 A CA 0.202 52.058 52.037 -0.301 0.000 0.716 261 A CB -0.266 18.448 19.000 -0.476 0.000 0.794 261 A HN 0.297 nan 8.150 nan 0.000 0.465 262 I N 0.562 120.967 120.570 -0.274 0.000 2.347 262 I HA 0.037 4.206 4.170 -0.002 0.000 0.294 262 I C 1.301 177.373 176.117 -0.075 0.000 1.090 262 I CA -0.016 61.187 61.300 -0.163 0.000 1.314 262 I CB 0.879 38.934 38.000 0.092 0.000 1.423 262 I HN 0.419 nan 8.210 nan 0.000 0.503 263 E N 5.757 125.908 120.200 -0.082 0.000 2.112 263 E HA -0.045 4.304 4.350 -0.002 0.000 0.190 263 E C -0.044 176.599 176.600 0.073 0.000 0.979 263 E CA 0.727 57.141 56.400 0.023 0.000 0.814 263 E CB 0.498 30.240 29.700 0.070 0.000 0.762 263 E HN 0.474 nan 8.360 nan 0.000 0.460 264 L N -0.012 121.227 121.223 0.027 0.000 2.526 264 L HA 0.363 4.702 4.340 -0.002 0.000 0.263 264 L C -1.999 174.870 176.870 -0.002 0.000 0.943 264 L CA -0.624 54.222 54.840 0.010 0.000 0.859 264 L CB 1.778 43.760 42.059 -0.129 0.000 1.313 264 L HN -0.021 nan 8.230 nan 0.000 0.406 265 F N 6.303 126.179 119.950 -0.124 0.000 2.347 265 F HA 0.606 5.132 4.527 -0.003 0.000 0.366 265 F C -0.470 175.241 175.800 -0.149 0.000 1.107 265 F CA -0.520 57.377 58.000 -0.172 0.000 1.058 265 F CB 1.103 39.981 39.000 -0.203 0.000 1.236 265 F HN 0.594 nan 8.300 nan 0.000 0.456 266 M N 8.517 127.943 119.600 -0.290 0.000 2.066 266 M HA 0.395 4.873 4.480 -0.002 0.000 0.340 266 M C -1.994 174.132 176.300 -0.290 0.000 1.053 266 M CA -1.107 54.066 55.300 -0.210 0.000 0.983 266 M CB 0.992 33.422 32.600 -0.283 0.000 1.520 266 M HN 0.638 nan 8.290 nan 0.000 0.428 267 L N 6.521 127.701 121.223 -0.072 0.000 2.272 267 L HA 0.517 4.856 4.340 -0.002 0.000 0.289 267 L C -1.716 175.180 176.870 0.044 0.000 1.032 267 L CA -0.301 54.530 54.840 -0.014 0.000 0.810 267 L CB 1.125 43.314 42.059 0.217 0.000 1.205 267 L HN 0.652 nan 8.230 nan 0.000 0.422 268 L N 5.423 126.624 121.223 -0.037 0.000 2.275 268 L HA 0.614 4.952 4.340 -0.002 0.000 0.288 268 L C -0.362 176.537 176.870 0.049 0.000 1.046 268 L CA 0.140 54.960 54.840 -0.034 0.000 0.805 268 L CB 1.223 43.224 42.059 -0.095 0.000 1.193 268 L HN 0.595 nan 8.230 nan 0.000 0.426 269 D N 2.859 123.299 120.400 0.067 0.000 2.736 269 D HA 0.456 5.094 4.640 -0.002 0.000 0.223 269 D C -0.476 175.858 176.300 0.056 0.000 1.231 269 D CA -0.421 53.643 54.000 0.106 0.000 0.818 269 D CB 1.739 42.664 40.800 0.207 0.000 1.587 269 D HN 0.388 nan 8.370 nan 0.000 0.463 270 L N 1.747 123.008 121.223 0.063 0.000 3.550 270 L HA -0.221 4.117 4.340 -0.002 0.000 0.523 270 L C -0.875 176.037 176.870 0.070 0.000 1.312 270 L CA 0.392 55.258 54.840 0.043 0.000 0.864 270 L CB -1.560 40.436 42.059 -0.106 0.000 1.592 270 L HN 0.320 nan 8.230 nan 0.000 0.859 271 L N -0.414 120.847 121.223 0.063 0.000 2.342 271 L HA 0.811 5.150 4.340 -0.002 0.000 0.271 271 L C 1.156 178.049 176.870 0.038 0.000 1.008 271 L CA 0.202 55.080 54.840 0.063 0.000 0.818 271 L CB 1.767 43.851 42.059 0.042 0.000 1.296 271 L HN 0.361 nan 8.230 nan 0.000 0.427 272 G N 1.159 109.982 108.800 0.038 0.000 2.284 272 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.201 272 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.201 272 G C 0.242 175.196 174.900 0.090 0.000 0.998 272 G CA -0.090 45.041 45.100 0.050 0.000 0.651 272 G HN 0.883 nan 8.290 nan 0.000 0.489 273 A N 1.570 124.431 122.820 0.069 0.000 2.346 273 A HA 0.719 5.037 4.320 -0.002 0.000 0.252 273 A C -1.448 176.169 177.584 0.054 0.000 1.089 273 A CA -0.486 51.596 52.037 0.076 0.000 0.797 273 A CB 0.180 19.218 19.000 0.063 0.000 1.047 273 A HN 0.251 nan 8.150 nan 0.000 0.494 274 P HA 0.139 nan 4.420 nan 0.000 0.274 274 P C -0.674 176.588 177.300 -0.064 0.000 1.231 274 P CA -0.131 62.916 63.100 -0.088 0.000 0.790 274 P CB 0.050 31.600 31.700 -0.250 0.000 0.951 275 N N -1.589 117.088 118.700 -0.038 0.000 2.714 275 N HA -0.127 4.612 4.740 -0.002 0.000 0.253 275 N C -2.024 173.436 175.510 -0.083 0.000 1.024 275 N CA -0.134 52.914 53.050 -0.004 0.000 0.726 275 N CB -1.521 36.952 38.487 -0.023 0.000 0.908 275 N HN 0.495 nan 8.380 nan 0.000 0.542 276 P HA 0.126 nan 4.420 nan 0.000 0.272 276 P C -0.251 176.707 177.300 -0.570 0.000 1.230 276 P CA 0.206 63.038 63.100 -0.448 0.000 0.788 276 P CB 0.950 32.229 31.700 -0.701 0.000 0.949 277 T N -1.163 113.000 114.554 -0.652 0.000 2.916 277 T HA 0.689 5.038 4.350 -0.002 0.000 0.298 277 T C -0.830 173.432 174.700 -0.730 0.000 1.031 277 T CA -0.561 61.164 62.100 -0.624 0.000 0.993 277 T CB 0.637 69.371 68.868 -0.223 0.000 1.045 277 T HN 0.117 nan 8.240 nan 0.000 0.454 278 F N 1.084 120.839 119.950 -0.325 0.000 2.546 278 F HA 0.740 5.266 4.527 -0.003 0.000 0.320 278 F C -0.666 174.950 175.800 -0.306 0.000 1.076 278 F CA -1.401 56.507 58.000 -0.154 0.000 0.928 278 F CB 1.539 40.429 39.000 -0.183 0.000 1.189 278 F HN 0.580 nan 8.300 nan 0.000 0.465 279 Y N -0.562 119.839 120.300 0.169 0.000 2.562 279 Y HA 0.465 5.014 4.550 -0.002 0.000 0.343 279 Y C 0.131 175.595 175.900 -0.726 0.000 1.025 279 Y CA -1.275 56.631 58.100 -0.323 0.000 1.082 279 Y CB 2.054 40.172 38.460 -0.571 0.000 1.264 279 Y HN 0.493 nan 8.280 nan 0.000 0.478 280 S N 1.589 116.583 115.700 -1.177 0.000 2.455 280 S HA 0.102 4.571 4.470 -0.002 0.000 0.278 280 S C 0.476 174.732 174.600 -0.574 0.000 1.216 280 S CA -0.350 57.287 58.200 -0.939 0.000 1.055 280 S CB -0.072 62.534 63.200 -0.989 0.000 0.939 280 S HN 0.727 nan 8.310 nan 0.000 0.494 281 H N 4.075 122.977 119.070 -0.280 0.000 2.544 281 H HA 0.159 4.714 4.556 -0.002 0.000 0.269 281 H C -0.659 174.122 175.328 -0.911 0.000 0.970 281 H CA 0.696 56.416 56.048 -0.546 0.000 1.219 281 H CB 0.251 29.665 29.762 -0.581 0.000 1.421 281 H HN 0.523 nan 8.280 nan 0.000 0.555 282 F N -0.032 119.976 119.950 0.097 0.000 2.612 282 F HA 0.287 4.812 4.527 -0.003 0.000 0.332 282 F C -1.820 174.009 175.800 0.048 0.000 1.167 282 F CA -2.577 55.480 58.000 0.095 0.000 0.970 282 F CB 1.864 40.949 39.000 0.141 0.000 1.234 282 F HN -0.222 nan 8.300 nan 0.000 0.453 283 P HA -0.186 nan 4.420 nan 0.000 0.216 283 P C 1.856 179.234 177.300 0.130 0.000 1.150 283 P CA 1.366 64.520 63.100 0.089 0.000 0.843 283 P CB 0.197 31.937 31.700 0.066 0.000 0.787 284 R N -0.052 120.560 120.500 0.187 0.000 2.127 284 R HA -0.102 4.236 4.340 -0.002 0.000 0.238 284 R C 1.069 177.484 176.300 0.191 0.000 1.134 284 R CA 1.981 58.181 56.100 0.168 0.000 0.975 284 R CB -0.540 29.863 30.300 0.172 0.000 0.865 284 R HN 0.254 nan 8.270 nan 0.000 0.447 285 T N -2.964 111.742 114.554 0.253 0.000 3.215 285 T HA 0.133 4.482 4.350 -0.002 0.000 0.271 285 T C 1.275 176.126 174.700 0.251 0.000 1.012 285 T CA -0.091 62.205 62.100 0.326 0.000 0.899 285 T CB 0.828 69.953 68.868 0.427 0.000 1.089 285 T HN 0.015 nan 8.240 nan 0.000 0.552 286 V N 3.009 122.987 119.914 0.106 0.000 2.568 286 V HA -0.230 3.888 4.120 -0.002 0.000 0.253 286 V C 2.868 178.900 176.094 -0.103 0.000 1.072 286 V CA 2.309 64.587 62.300 -0.036 0.000 1.084 286 V CB -0.617 31.120 31.823 -0.143 0.000 0.676 286 V HN 0.726 nan 8.190 nan 0.000 0.469 287 R N -1.304 119.141 120.500 -0.091 0.000 2.120 287 R HA -0.204 4.135 4.340 -0.002 0.000 0.234 287 R C 2.017 178.202 176.300 -0.191 0.000 1.123 287 R CA 2.191 58.182 56.100 -0.182 0.000 0.975 287 R CB -0.907 29.141 30.300 -0.420 0.000 0.866 287 R HN 0.626 nan 8.270 nan 0.000 0.446 288 W N 0.191 121.633 121.300 0.237 0.000 2.476 288 W HA 0.047 4.707 4.660 -0.000 0.000 0.281 288 W C 2.037 178.686 176.519 0.218 0.000 1.230 288 W CA -0.248 57.298 57.345 0.335 0.000 1.287 288 W CB -0.303 29.398 29.460 0.402 0.000 1.108 288 W HN -0.012 nan 8.180 nan 0.000 0.567 289 F N 0.652 120.714 119.950 0.187 0.000 2.102 289 F HA -0.280 4.245 4.527 -0.003 0.000 0.298 289 F C 2.641 178.437 175.800 -0.006 0.000 1.105 289 F CA 1.973 59.992 58.000 0.032 0.000 1.239 289 F CB -0.610 38.386 39.000 -0.006 0.000 0.991 289 F HN -0.123 nan 8.300 nan 0.000 0.474 290 H N -0.021 119.186 119.070 0.227 0.000 2.353 290 H HA -0.133 4.423 4.556 -0.001 0.000 0.300 290 H C 2.423 177.738 175.328 -0.021 0.000 1.090 290 H CA 1.710 57.809 56.048 0.085 0.000 1.327 290 H CB -0.671 29.140 29.762 0.081 0.000 1.383 290 H HN 0.295 nan 8.280 nan 0.000 0.508 291 R N 0.648 121.251 120.500 0.172 0.000 2.091 291 R HA -0.101 4.238 4.340 -0.002 0.000 0.238 291 R C 2.406 178.739 176.300 0.056 0.000 1.136 291 R CA 1.031 57.232 56.100 0.169 0.000 0.959 291 R CB -0.260 30.260 30.300 0.367 0.000 0.856 291 R HN 0.207 nan 8.270 nan 0.000 0.437 292 L N 0.128 121.266 121.223 -0.141 0.000 2.046 292 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 292 L C 2.867 179.267 176.870 -0.782 0.000 1.077 292 L CA 1.576 56.035 54.840 -0.634 0.000 0.747 292 L CB -0.452 40.768 42.059 -1.399 0.000 0.896 292 L HN 0.261 nan 8.230 nan 0.000 0.432 293 R N -0.432 119.665 120.500 -0.673 0.000 2.083 293 R HA -0.209 4.130 4.340 -0.002 0.000 0.237 293 R C 2.599 178.860 176.300 -0.064 0.000 1.137 293 R CA 1.820 57.772 56.100 -0.246 0.000 0.951 293 R CB -0.293 29.969 30.300 -0.065 0.000 0.851 293 R HN 0.221 nan 8.270 nan 0.000 0.434 294 S N 0.005 115.679 115.700 -0.044 0.000 2.382 294 S HA -0.101 4.368 4.470 -0.002 0.000 0.228 294 S C 1.891 176.498 174.600 0.012 0.000 1.027 294 S CA 1.262 59.464 58.200 0.003 0.000 0.991 294 S CB -0.172 63.037 63.200 0.016 0.000 0.823 294 S HN 0.376 nan 8.310 nan 0.000 0.469 295 I N 1.130 121.699 120.570 -0.002 0.000 2.286 295 I HA -0.108 4.060 4.170 -0.002 0.000 0.245 295 I C 2.633 178.777 176.117 0.045 0.000 1.104 295 I CA 1.438 62.756 61.300 0.031 0.000 1.397 295 I CB -0.380 37.652 38.000 0.053 0.000 1.072 295 I HN 0.458 nan 8.210 nan 0.000 0.417 296 E N 1.651 121.880 120.200 0.049 0.000 2.038 296 E HA -0.281 4.067 4.350 -0.002 0.000 0.195 296 E C 2.153 178.794 176.600 0.070 0.000 1.000 296 E CA 1.516 57.977 56.400 0.101 0.000 0.803 296 E CB 0.069 29.918 29.700 0.250 0.000 0.750 296 E HN 0.360 nan 8.360 nan 0.000 0.448 297 K N 0.199 120.644 120.400 0.076 0.000 2.044 297 K HA -0.226 4.092 4.320 -0.002 0.000 0.210 297 K C 2.490 179.155 176.600 0.108 0.000 1.049 297 K CA 1.644 57.979 56.287 0.079 0.000 0.927 297 K CB -0.267 32.263 32.500 0.049 0.000 0.713 297 K HN 0.087 nan 8.250 nan 0.000 0.443 298 R N 1.199 121.744 120.500 0.074 0.000 2.070 298 R HA -0.112 4.226 4.340 -0.002 0.000 0.233 298 R C 2.379 178.718 176.300 0.066 0.000 1.137 298 R CA 1.281 57.421 56.100 0.066 0.000 0.945 298 R CB -0.312 30.016 30.300 0.047 0.000 0.845 298 R HN 0.122 nan 8.270 nan 0.000 0.430 299 L N -0.060 121.196 121.223 0.055 0.000 2.042 299 L HA -0.264 4.075 4.340 -0.002 0.000 0.210 299 L C 2.857 179.742 176.870 0.024 0.000 1.076 299 L CA 1.630 56.490 54.840 0.033 0.000 0.749 299 L CB -0.978 41.096 42.059 0.025 0.000 0.893 299 L HN 0.465 nan 8.230 nan 0.000 0.432 300 H N 1.198 120.228 119.070 -0.068 0.000 2.289 300 H HA -0.192 4.363 4.556 -0.003 0.000 0.296 300 H C 2.434 177.777 175.328 0.024 0.000 1.091 300 H CA 2.040 58.073 56.048 -0.025 0.000 1.274 300 H CB 0.081 29.882 29.762 0.065 0.000 1.364 300 H HN 0.250 nan 8.280 nan 0.000 0.490 301 R N 0.010 120.589 120.500 0.133 0.000 2.105 301 R HA -0.082 4.257 4.340 -0.002 0.000 0.239 301 R C 2.505 178.799 176.300 -0.009 0.000 1.135 301 R CA 1.269 57.411 56.100 0.070 0.000 0.967 301 R CB -0.106 30.255 30.300 0.101 0.000 0.861 301 R HN 0.349 nan 8.270 nan 0.000 0.442 302 L N 0.692 121.913 121.223 -0.004 0.000 2.627 302 L HA 0.069 4.407 4.340 -0.002 0.000 0.233 302 L C -0.239 176.613 176.870 -0.030 0.000 1.144 302 L CA -0.037 54.797 54.840 -0.010 0.000 0.892 302 L CB -0.322 41.741 42.059 0.007 0.000 1.039 302 L HN 0.251 nan 8.230 nan 0.000 0.442 303 N N -0.210 118.447 118.700 -0.072 0.000 2.780 303 N HA -0.198 4.541 4.740 -0.002 0.000 0.248 303 N C 0.269 175.755 175.510 -0.040 0.000 1.102 303 N CA 0.639 53.643 53.050 -0.076 0.000 0.697 303 N CB -1.471 36.986 38.487 -0.051 0.000 1.028 303 N HN 0.282 nan 8.380 nan 0.000 0.554 304 L N -1.226 119.979 121.223 -0.031 0.000 2.766 304 L HA 0.326 4.664 4.340 -0.002 0.000 0.242 304 L C 0.219 177.095 176.870 0.009 0.000 1.136 304 L CA 0.106 54.945 54.840 -0.002 0.000 0.933 304 L CB 0.262 42.328 42.059 0.012 0.000 1.241 304 L HN 0.093 nan 8.230 nan 0.000 0.522 305 L N 0.078 121.292 121.223 -0.014 0.000 2.325 305 L HA 0.435 4.774 4.340 -0.002 0.000 0.278 305 L C -0.398 176.518 176.870 0.077 0.000 1.023 305 L CA -0.523 54.324 54.840 0.012 0.000 0.811 305 L CB 1.713 43.683 42.059 -0.149 0.000 1.249 305 L HN 0.099 nan 8.230 nan 0.000 0.431 306 Q N 0.362 120.242 119.800 0.134 0.000 2.204 306 Q HA 0.422 4.761 4.340 -0.002 0.000 0.254 306 Q C 0.107 176.248 176.000 0.235 0.000 0.981 306 Q CA -0.907 54.985 55.803 0.149 0.000 0.897 306 Q CB 1.553 30.357 28.738 0.110 0.000 1.273 306 Q HN 0.619 nan 8.270 nan 0.000 0.464 307 S N 0.654 116.478 115.700 0.207 0.000 3.581 307 S HA -0.192 4.276 4.470 -0.002 0.000 0.354 307 S C -0.446 174.307 174.600 0.255 0.000 1.059 307 S CA 1.054 59.395 58.200 0.235 0.000 1.060 307 S CB -1.467 61.943 63.200 0.349 0.000 0.908 307 S HN 0.696 nan 8.310 nan 0.000 0.475 308 H N 0.287 119.432 119.070 0.124 0.000 2.380 308 H HA 0.240 4.795 4.556 -0.003 0.000 0.231 308 H C -2.175 173.246 175.328 0.155 0.000 1.415 308 H CA -1.548 54.563 56.048 0.105 0.000 1.433 308 H CB 0.990 30.826 29.762 0.123 0.000 1.544 308 H HN 0.174 nan 8.280 nan 0.000 0.503 309 P HA 0.005 nan 4.420 nan 0.000 0.227 309 P C 0.026 177.354 177.300 0.047 0.000 1.161 309 P CA 0.425 63.572 63.100 0.078 0.000 0.788 309 P CB 1.081 32.793 31.700 0.021 0.000 0.822 310 Q N -0.765 118.912 119.800 -0.206 0.000 2.248 310 Q HA 0.225 4.564 4.340 -0.002 0.000 0.263 310 Q C 1.274 176.893 176.000 -0.635 0.000 1.007 310 Q CA -0.429 55.196 55.803 -0.296 0.000 0.877 310 Q CB 1.548 30.138 28.738 -0.246 0.000 1.315 310 Q HN -0.072 nan 8.270 nan 0.000 0.454 311 E N 0.122 119.952 120.200 -0.616 0.000 2.051 311 E HA -0.073 4.276 4.350 -0.002 0.000 0.192 311 E C -0.504 175.942 176.600 -0.257 0.000 0.991 311 E CA 0.789 56.781 56.400 -0.680 0.000 0.799 311 E CB 0.459 29.985 29.700 -0.289 0.000 0.748 311 E HN 0.313 nan 8.360 nan 0.000 0.449 312 V N 1.420 121.214 119.914 -0.201 0.000 2.407 312 V HA 0.188 4.307 4.120 -0.002 0.000 0.291 312 V C 0.375 176.355 176.094 -0.189 0.000 1.018 312 V CA -0.233 62.013 62.300 -0.091 0.000 0.842 312 V CB 1.527 33.342 31.823 -0.013 0.000 0.996 312 V HN 0.234 nan 8.190 nan 0.000 0.426 313 M N 2.342 121.786 119.600 -0.259 0.000 2.627 313 M HA 0.174 4.652 4.480 -0.002 0.000 0.236 313 M C 1.185 177.402 176.300 -0.140 0.000 1.483 313 M CA 0.674 55.789 55.300 -0.309 0.000 1.139 313 M CB 0.391 32.642 32.600 -0.582 0.000 1.399 313 M HN 0.635 nan 8.290 nan 0.000 0.549 314 Y N 0.163 120.434 120.300 -0.050 0.000 2.262 314 Y HA 0.171 4.719 4.550 -0.002 0.000 0.295 314 Y C 0.710 176.355 175.900 -0.424 0.000 1.121 314 Y CA -0.189 57.721 58.100 -0.317 0.000 1.144 314 Y CB -0.586 37.735 38.460 -0.232 0.000 1.043 314 Y HN -0.058 nan 8.280 nan 0.000 0.528 315 F N 2.442 122.501 119.950 0.181 0.000 2.377 315 F HA 0.290 4.816 4.527 -0.001 0.000 0.360 315 F C 0.368 176.209 175.800 0.068 0.000 1.147 315 F CA -0.894 57.145 58.000 0.066 0.000 1.170 315 F CB 0.143 39.013 39.000 -0.216 0.000 1.339 315 F HN -0.111 nan 8.300 nan 0.000 0.552 316 Q N 5.297 125.145 119.800 0.079 0.000 2.259 316 Q HA 0.324 4.663 4.340 -0.002 0.000 0.249 316 Q C -2.184 173.883 176.000 0.112 0.000 0.914 316 Q CA -1.952 53.785 55.803 -0.110 0.000 0.904 316 Q CB 1.453 29.776 28.738 -0.693 0.000 1.213 316 Q HN 0.263 nan 8.270 nan 0.000 0.428 317 P HA 0.337 nan 4.420 nan 0.000 0.276 317 P C 0.034 177.421 177.300 0.146 0.000 1.261 317 P CA 0.185 63.401 63.100 0.192 0.000 0.800 317 P CB 0.759 32.555 31.700 0.161 0.000 1.066 318 G N 0.257 109.115 108.800 0.095 0.000 2.796 318 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.571 318 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.571 318 G C -0.483 174.413 174.900 -0.007 0.000 1.370 318 G CA -0.188 44.944 45.100 0.054 0.000 0.856 318 G HN 0.907 nan 8.290 nan 0.000 0.538 319 E N 0.642 120.797 120.200 -0.075 0.000 2.383 319 E HA 0.525 4.873 4.350 -0.002 0.000 0.264 319 E C -2.129 174.222 176.600 -0.414 0.000 1.050 319 E CA -1.240 55.050 56.400 -0.184 0.000 0.896 319 E CB 0.894 30.514 29.700 -0.134 0.000 0.982 319 E HN 0.344 nan 8.360 nan 0.000 0.424 320 P HA 0.002 nan 4.420 nan 0.000 0.272 320 P C -0.357 176.615 177.300 -0.547 0.000 1.240 320 P CA -0.076 62.550 63.100 -0.789 0.000 0.791 320 P CB 0.254 31.576 31.700 -0.631 0.000 0.978 321 F N -0.198 119.453 119.950 -0.498 0.000 2.748 321 F HA 0.267 4.793 4.527 -0.002 0.000 0.299 321 F C 1.500 177.180 175.800 -0.200 0.000 1.154 321 F CA 0.458 58.265 58.000 -0.323 0.000 1.446 321 F CB 0.151 38.959 39.000 -0.320 0.000 1.112 321 F HN 0.471 nan 8.300 nan 0.000 0.584 322 G N -0.168 108.639 108.800 0.012 0.000 2.347 322 G HA2 0.233 4.192 3.960 -0.002 0.000 0.303 322 G HA3 0.233 4.192 3.960 -0.002 0.000 0.303 322 G C -1.250 173.702 174.900 0.087 0.000 1.481 322 G CA -0.733 44.379 45.100 0.019 0.000 0.914 322 G HN 0.071 nan 8.290 nan 0.000 0.638 323 S N -1.432 114.321 115.700 0.087 0.000 2.652 323 S HA 0.808 5.277 4.470 -0.002 0.000 0.270 323 S C -0.221 174.444 174.600 0.109 0.000 1.243 323 S CA -0.662 57.617 58.200 0.133 0.000 0.999 323 S CB 1.950 65.226 63.200 0.127 0.000 0.973 323 S HN 1.432 nan 8.310 nan 0.000 0.544 324 V N 1.701 121.707 119.914 0.153 0.000 2.483 324 V HA 0.381 4.499 4.120 -0.002 0.000 0.297 324 V C -0.141 176.179 176.094 0.377 0.000 1.027 324 V CA -0.789 61.643 62.300 0.220 0.000 0.855 324 V CB 1.568 33.528 31.823 0.229 0.000 0.995 324 V HN 0.904 nan 8.190 nan 0.000 0.424 325 E N 3.263 123.645 120.200 0.303 0.000 2.384 325 E HA 0.336 4.685 4.350 -0.002 0.000 0.266 325 E C -0.752 176.144 176.600 0.494 0.000 1.012 325 E CA 0.456 57.090 56.400 0.390 0.000 0.901 325 E CB 1.344 31.362 29.700 0.530 0.000 0.967 325 E HN 0.735 nan 8.360 nan 0.000 0.435 326 D N 0.308 120.959 120.400 0.418 0.000 2.792 326 D HA 0.048 4.687 4.640 -0.002 0.000 0.335 326 D C -0.204 176.257 176.300 0.269 0.000 1.353 326 D CA -0.507 53.772 54.000 0.465 0.000 0.839 326 D CB 0.684 41.811 40.800 0.545 0.000 1.396 326 D HN 0.095 nan 8.370 nan 0.000 0.479 327 D N -0.722 119.886 120.400 0.346 0.000 2.309 327 D HA -0.145 4.494 4.640 -0.002 0.000 0.212 327 D C 1.599 178.069 176.300 0.284 0.000 0.968 327 D CA 0.870 55.055 54.000 0.308 0.000 0.882 327 D CB -0.127 40.912 40.800 0.398 0.000 0.918 327 D HN 0.453 nan 8.370 nan 0.000 0.503 328 H N -0.023 119.099 119.070 0.086 0.000 2.524 328 H HA -0.025 4.530 4.556 -0.002 0.000 0.282 328 H C 2.032 177.273 175.328 -0.145 0.000 1.016 328 H CA 0.203 56.150 56.048 -0.169 0.000 1.270 328 H CB -0.288 29.358 29.762 -0.194 0.000 1.394 328 H HN 0.090 nan 8.280 nan 0.000 0.568 329 I N 1.984 122.149 120.570 -0.675 0.000 2.163 329 I HA -0.144 4.025 4.170 -0.002 0.000 0.243 329 I C -0.501 175.427 176.117 -0.314 0.000 1.085 329 I CA 0.996 61.997 61.300 -0.498 0.000 1.347 329 I CB -1.989 35.784 38.000 -0.378 0.000 1.044 329 I HN 0.263 nan 8.210 nan 0.000 0.408 330 P HA -0.097 nan 4.420 nan 0.000 0.223 330 P C 1.696 178.647 177.300 -0.581 0.000 1.151 330 P CA 1.344 64.180 63.100 -0.441 0.000 0.787 330 P CB -0.082 31.300 31.700 -0.530 0.000 0.788 331 F N -1.362 118.363 119.950 -0.374 0.000 2.179 331 F HA 0.032 4.557 4.527 -0.002 0.000 0.292 331 F C 2.217 177.819 175.800 -0.330 0.000 1.089 331 F CA 0.415 58.173 58.000 -0.403 0.000 1.295 331 F CB -1.407 37.138 39.000 -0.757 0.000 1.041 331 F HN -0.226 nan 8.300 nan 0.000 0.487 332 L N 0.579 121.695 121.223 -0.178 0.000 2.043 332 L HA -0.207 4.131 4.340 -0.002 0.000 0.212 332 L C 2.430 179.225 176.870 -0.126 0.000 1.075 332 L CA 1.787 56.523 54.840 -0.174 0.000 0.752 332 L CB -0.462 41.486 42.059 -0.184 0.000 0.891 332 L HN -0.046 nan 8.230 nan 0.000 0.432 333 R N -0.301 120.112 120.500 -0.144 0.000 2.189 333 R HA -0.039 4.300 4.340 -0.002 0.000 0.223 333 R C 1.964 178.201 176.300 -0.106 0.000 1.092 333 R CA 0.938 56.969 56.100 -0.115 0.000 0.989 333 R CB -0.539 29.678 30.300 -0.137 0.000 0.876 333 R HN 0.469 nan 8.270 nan 0.000 0.457 334 R N -0.461 119.965 120.500 -0.125 0.000 2.334 334 R HA 0.113 4.451 4.340 -0.002 0.000 0.220 334 R C 0.681 176.949 176.300 -0.053 0.000 0.917 334 R CA 0.537 56.579 56.100 -0.097 0.000 1.073 334 R CB 0.499 30.720 30.300 -0.132 0.000 1.056 334 R HN 0.348 nan 8.270 nan 0.000 0.506 335 G N 0.426 109.197 108.800 -0.048 0.000 2.159 335 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.227 335 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.227 335 G C 0.132 175.025 174.900 -0.012 0.000 0.986 335 G CA -0.230 44.856 45.100 -0.023 0.000 0.651 335 G HN 0.121 nan 8.290 nan 0.000 0.523 336 V N 2.326 122.229 119.914 -0.018 0.000 2.555 336 V HA 0.391 4.510 4.120 -0.002 0.000 0.286 336 V C -1.390 174.687 176.094 -0.027 0.000 1.044 336 V CA -1.087 61.215 62.300 0.004 0.000 1.026 336 V CB 1.181 33.021 31.823 0.028 0.000 0.981 336 V HN 0.174 nan 8.190 nan 0.000 0.480 337 P HA 0.249 nan 4.420 nan 0.000 0.271 337 P C -0.808 176.502 177.300 0.016 0.000 1.220 337 P CA 0.053 63.169 63.100 0.028 0.000 0.768 337 P CB 0.712 32.485 31.700 0.121 0.000 0.848 338 V N 4.766 124.620 119.914 -0.100 0.000 2.680 338 V HA 0.444 4.563 4.120 -0.002 0.000 0.309 338 V C -0.111 176.032 176.094 0.082 0.000 1.052 338 V CA -0.782 61.473 62.300 -0.075 0.000 0.908 338 V CB 2.123 33.722 31.823 -0.373 0.000 1.001 338 V HN 0.406 nan 8.190 nan 0.000 0.431 339 L N 3.791 125.137 121.223 0.204 0.000 2.325 339 L HA 0.568 4.907 4.340 -0.002 0.000 0.281 339 L C -0.414 176.641 176.870 0.309 0.000 1.004 339 L CA -0.399 54.634 54.840 0.322 0.000 0.823 339 L CB 1.188 43.399 42.059 0.255 0.000 1.236 339 L HN 0.805 nan 8.230 nan 0.000 0.415 340 H N 5.762 124.992 119.070 0.267 0.000 2.685 340 H HA 0.246 4.801 4.556 -0.002 0.000 0.286 340 H C -0.836 174.565 175.328 0.122 0.000 1.102 340 H CA -0.972 55.129 56.048 0.089 0.000 1.254 340 H CB 1.306 31.011 29.762 -0.095 0.000 1.397 340 H HN 0.505 nan 8.280 nan 0.000 0.473 341 L N 8.064 129.367 121.223 0.134 0.000 2.399 341 L HA 0.312 4.651 4.340 -0.002 0.000 0.257 341 L C -1.053 175.747 176.870 -0.118 0.000 1.236 341 L CA 0.097 54.873 54.840 -0.107 0.000 1.144 341 L CB -0.465 41.452 42.059 -0.237 0.000 1.379 341 L HN 0.595 nan 8.230 nan 0.000 0.414 342 I N 1.303 121.849 120.570 -0.040 0.000 2.545 342 I HA 0.370 4.539 4.170 -0.002 0.000 0.292 342 I C -0.182 176.122 176.117 0.312 0.000 1.040 342 I CA -0.393 60.901 61.300 -0.011 0.000 1.068 342 I CB 2.134 39.887 38.000 -0.411 0.000 1.251 342 I HN 0.362 nan 8.210 nan 0.000 0.424 343 S N 4.472 120.354 115.700 0.303 0.000 2.549 343 S HA 0.414 4.883 4.470 -0.002 0.000 0.279 343 S C -0.275 174.461 174.600 0.227 0.000 1.321 343 S CA -0.003 58.295 58.200 0.165 0.000 1.054 343 S CB 0.073 63.281 63.200 0.013 0.000 0.899 343 S HN 0.674 nan 8.310 nan 0.000 0.497 344 T N 3.794 118.482 114.554 0.224 0.000 3.031 344 T HA 0.559 4.908 4.350 -0.002 0.000 0.305 344 T C -3.147 171.720 174.700 0.278 0.000 0.985 344 T CA -1.841 60.418 62.100 0.264 0.000 1.008 344 T CB 1.410 70.436 68.868 0.262 0.000 1.005 344 T HN 0.322 nan 8.240 nan 0.000 0.444 345 P HA 0.256 nan 4.420 nan 0.000 0.269 345 P C -0.115 177.289 177.300 0.174 0.000 1.217 345 P CA -0.550 62.599 63.100 0.081 0.000 0.783 345 P CB 0.274 31.986 31.700 0.020 0.000 0.898 346 F N 0.835 120.685 119.950 -0.166 0.000 2.485 346 F HA 0.176 4.702 4.527 -0.002 0.000 0.327 346 F C -1.325 174.441 175.800 -0.057 0.000 1.203 346 F CA -2.276 55.602 58.000 -0.203 0.000 1.295 346 F CB -1.846 36.819 39.000 -0.558 0.000 1.191 346 F HN 0.212 nan 8.300 nan 0.000 0.588 347 P HA 0.032 nan 4.420 nan 0.000 0.266 347 P C 0.079 177.512 177.300 0.223 0.000 1.193 347 P CA 0.449 63.659 63.100 0.183 0.000 0.770 347 P CB 0.436 32.257 31.700 0.202 0.000 0.836 348 A N 3.296 126.208 122.820 0.155 0.000 1.978 348 A HA -0.175 4.143 4.320 -0.002 0.000 0.220 348 A C 1.695 179.398 177.584 0.199 0.000 1.170 348 A CA 2.249 54.375 52.037 0.149 0.000 0.636 348 A CB -1.531 17.525 19.000 0.094 0.000 0.810 348 A HN 0.533 nan 8.150 nan 0.000 0.448 349 V N -4.969 115.070 119.914 0.209 0.000 3.573 349 V HA 0.056 4.175 4.120 -0.002 0.000 0.270 349 V C 0.822 177.106 176.094 0.316 0.000 1.221 349 V CA -0.234 62.194 62.300 0.213 0.000 1.163 349 V CB -1.617 30.303 31.823 0.161 0.000 0.847 349 V HN 0.538 nan 8.190 nan 0.000 0.468 350 W N 2.702 124.107 121.300 0.174 0.000 2.385 350 W HA 0.129 4.788 4.660 -0.002 0.000 0.336 350 W C 1.061 177.758 176.519 0.296 0.000 1.351 350 W CA 1.052 58.523 57.345 0.211 0.000 1.295 350 W CB -0.798 28.754 29.460 0.154 0.000 1.239 350 W HN 0.572 nan 8.180 nan 0.000 0.565 351 H N 2.404 121.259 119.070 -0.358 0.000 2.741 351 H HA -0.229 4.326 4.556 -0.002 0.000 0.305 351 H C 0.343 175.498 175.328 -0.287 0.000 1.169 351 H CA 0.793 56.509 56.048 -0.554 0.000 1.144 351 H CB -1.522 27.594 29.762 -1.077 0.000 1.397 351 H HN 0.468 nan 8.280 nan 0.000 0.409 352 T N -3.963 110.623 114.554 0.054 0.000 2.930 352 T HA 0.351 4.700 4.350 -0.002 0.000 0.290 352 T C -2.188 172.559 174.700 0.079 0.000 1.052 352 T CA -2.067 60.006 62.100 -0.045 0.000 1.017 352 T CB 2.739 71.633 68.868 0.042 0.000 1.137 352 T HN -0.289 nan 8.240 nan 0.000 0.511 353 P HA 0.120 nan 4.420 nan 0.000 0.228 353 P C 1.139 178.450 177.300 0.020 0.000 1.151 353 P CA 0.615 63.727 63.100 0.021 0.000 0.770 353 P CB -0.222 31.440 31.700 -0.063 0.000 0.786 354 A N -0.562 122.280 122.820 0.037 0.000 2.235 354 A HA -0.061 4.257 4.320 -0.002 0.000 0.208 354 A C 1.083 178.690 177.584 0.039 0.000 1.172 354 A CA 0.356 52.413 52.037 0.034 0.000 0.786 354 A CB -1.035 17.992 19.000 0.046 0.000 0.804 354 A HN 0.020 nan 8.150 nan 0.000 0.479 355 D N 1.774 122.200 120.400 0.043 0.000 2.551 355 D HA 0.219 4.857 4.640 -0.002 0.000 0.223 355 D C 0.357 176.587 176.300 -0.117 0.000 1.144 355 D CA 0.620 54.625 54.000 0.008 0.000 1.025 355 D CB -0.245 40.603 40.800 0.080 0.000 1.085 355 D HN 0.419 nan 8.370 nan 0.000 0.506 356 T N -1.321 113.200 114.554 -0.054 0.000 2.864 356 T HA 0.299 4.648 4.350 -0.002 0.000 0.289 356 T C 1.121 175.814 174.700 -0.013 0.000 1.082 356 T CA -0.828 61.232 62.100 -0.066 0.000 1.009 356 T CB 1.509 70.352 68.868 -0.041 0.000 1.234 356 T HN 0.141 nan 8.240 nan 0.000 0.526 357 E N -0.356 119.840 120.200 -0.007 0.000 2.097 357 E HA -0.163 4.186 4.350 -0.002 0.000 0.196 357 E C 1.857 178.548 176.600 0.151 0.000 1.000 357 E CA 1.496 57.938 56.400 0.070 0.000 0.804 357 E CB -0.180 29.568 29.700 0.080 0.000 0.740 357 E HN 0.462 nan 8.360 nan 0.000 0.454 358 V N 1.367 121.342 119.914 0.101 0.000 2.759 358 V HA -0.132 3.987 4.120 -0.002 0.000 0.256 358 V C 1.067 177.225 176.094 0.106 0.000 1.080 358 V CA 1.557 63.919 62.300 0.103 0.000 1.101 358 V CB -0.348 31.514 31.823 0.065 0.000 0.698 358 V HN 0.311 nan 8.190 nan 0.000 0.477 359 N N -0.240 118.519 118.700 0.098 0.000 2.280 359 N HA 0.214 4.953 4.740 -0.002 0.000 0.192 359 N C 0.414 176.003 175.510 0.132 0.000 1.109 359 N CA 0.060 53.170 53.050 0.100 0.000 0.855 359 N CB 0.199 38.733 38.487 0.077 0.000 0.974 359 N HN 0.398 nan 8.380 nan 0.000 0.482 360 L N 0.269 121.592 121.223 0.166 0.000 2.464 360 L HA 0.102 4.440 4.340 -0.002 0.000 0.264 360 L C 0.793 177.822 176.870 0.265 0.000 1.199 360 L CA -0.060 54.908 54.840 0.213 0.000 0.818 360 L CB 0.532 42.760 42.059 0.281 0.000 1.102 360 L HN 0.165 nan 8.230 nan 0.000 0.473 361 H N 2.788 121.940 119.070 0.137 0.000 2.691 361 H HA 0.196 4.750 4.556 -0.002 0.000 0.281 361 H C -2.045 173.343 175.328 0.100 0.000 1.121 361 H CA -1.885 54.222 56.048 0.098 0.000 1.254 361 H CB 1.709 31.516 29.762 0.075 0.000 1.390 361 H HN 0.332 nan 8.280 nan 0.000 0.491 362 P HA -0.102 nan 4.420 nan 0.000 0.216 362 P C -1.619 175.556 177.300 -0.208 0.000 1.153 362 P CA 0.952 63.904 63.100 -0.247 0.000 0.858 362 P CB -0.541 30.850 31.700 -0.515 0.000 0.789 363 P HA -0.107 nan 4.420 nan 0.000 0.220 363 P C 1.388 178.740 177.300 0.087 0.000 1.148 363 P CA 1.757 64.815 63.100 -0.070 0.000 0.803 363 P CB -0.673 30.955 31.700 -0.120 0.000 0.782 364 T N -1.015 113.619 114.554 0.133 0.000 2.812 364 T HA -0.073 4.275 4.350 -0.002 0.000 0.264 364 T C 1.852 176.601 174.700 0.083 0.000 1.042 364 T CA 1.015 63.248 62.100 0.221 0.000 1.140 364 T CB -1.005 68.030 68.868 0.279 0.000 0.870 364 T HN -0.119 nan 8.240 nan 0.000 0.445 365 V N 1.809 121.733 119.914 0.017 0.000 2.282 365 V HA -0.240 3.879 4.120 -0.002 0.000 0.249 365 V C 2.484 178.547 176.094 -0.053 0.000 1.057 365 V CA 1.748 64.019 62.300 -0.048 0.000 1.032 365 V CB -0.685 31.096 31.823 -0.069 0.000 0.645 365 V HN 0.593 nan 8.190 nan 0.000 0.447 366 H N -0.163 119.002 119.070 0.158 0.000 2.428 366 H HA -0.038 4.517 4.556 -0.002 0.000 0.296 366 H C 2.320 177.729 175.328 0.134 0.000 1.062 366 H CA 1.360 57.489 56.048 0.135 0.000 1.350 366 H CB -0.354 29.467 29.762 0.099 0.000 1.403 366 H HN 0.426 nan 8.280 nan 0.000 0.533 367 N N 0.958 119.804 118.700 0.243 0.000 2.084 367 N HA -0.096 4.642 4.740 -0.002 0.000 0.190 367 N C 2.254 177.911 175.510 0.245 0.000 1.030 367 N CA 0.555 53.758 53.050 0.255 0.000 0.849 367 N CB -0.513 38.197 38.487 0.371 0.000 1.012 367 N HN 0.288 nan 8.380 nan 0.000 0.423 368 L N -0.229 121.108 121.223 0.190 0.000 2.083 368 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 368 L C 2.647 179.600 176.870 0.138 0.000 1.083 368 L CA 0.780 55.712 54.840 0.154 0.000 0.752 368 L CB -0.508 41.591 42.059 0.066 0.000 0.899 368 L HN 0.283 nan 8.230 nan 0.000 0.433 369 C N 0.363 119.748 119.300 0.141 0.000 2.425 369 C HA -0.127 4.332 4.460 -0.002 0.000 0.277 369 C C 3.046 178.121 174.990 0.142 0.000 1.280 369 C CA 0.792 59.894 59.018 0.141 0.000 1.744 369 C CB -0.748 27.108 27.740 0.192 0.000 1.989 369 C HN 0.413 nan 8.230 nan 0.000 0.491 370 R N 0.171 120.765 120.500 0.157 0.000 2.075 370 R HA -0.001 4.338 4.340 -0.002 0.000 0.232 370 R C 2.066 178.446 176.300 0.133 0.000 1.126 370 R CA 1.667 57.848 56.100 0.134 0.000 0.963 370 R CB -0.345 30.032 30.300 0.127 0.000 0.858 370 R HN 0.534 nan 8.270 nan 0.000 0.435 371 I N 0.945 121.609 120.570 0.156 0.000 2.163 371 I HA -0.320 3.849 4.170 -0.002 0.000 0.243 371 I C 2.185 178.390 176.117 0.146 0.000 1.085 371 I CA 1.435 62.830 61.300 0.158 0.000 1.347 371 I CB -0.252 37.885 38.000 0.229 0.000 1.044 371 I HN 0.150 nan 8.210 nan 0.000 0.408 372 L N 0.255 121.550 121.223 0.120 0.000 2.093 372 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 372 L C 2.811 179.772 176.870 0.152 0.000 1.085 372 L CA 1.212 56.112 54.840 0.101 0.000 0.755 372 L CB -0.664 41.415 42.059 0.033 0.000 0.904 372 L HN 0.240 nan 8.230 nan 0.000 0.435 373 A N -0.353 122.543 122.820 0.128 0.000 1.902 373 A HA -0.145 4.174 4.320 -0.002 0.000 0.217 373 A C 2.323 179.979 177.584 0.120 0.000 1.181 373 A CA 1.740 53.847 52.037 0.117 0.000 0.623 373 A CB -0.795 18.267 19.000 0.103 0.000 0.818 373 A HN 0.184 nan 8.150 nan 0.000 0.443 374 V N -1.253 118.736 119.914 0.125 0.000 2.343 374 V HA -0.244 3.874 4.120 -0.002 0.000 0.247 374 V C 2.271 178.441 176.094 0.126 0.000 1.051 374 V CA 2.086 64.451 62.300 0.108 0.000 1.036 374 V CB -0.978 30.904 31.823 0.098 0.000 0.654 374 V HN 0.629 nan 8.190 nan 0.000 0.451 375 F N 0.237 120.208 119.950 0.035 0.000 2.126 375 F HA -0.230 4.296 4.527 -0.002 0.000 0.299 375 F C 2.099 177.932 175.800 0.056 0.000 1.096 375 F CA 1.905 59.931 58.000 0.045 0.000 1.255 375 F CB -0.183 38.815 39.000 -0.003 0.000 0.997 375 F HN 0.128 nan 8.300 nan 0.000 0.479 376 L N 0.663 122.024 121.223 0.230 0.000 2.056 376 L HA -0.010 4.328 4.340 -0.002 0.000 0.207 376 L C 2.467 179.365 176.870 0.046 0.000 1.078 376 L CA 2.059 56.976 54.840 0.129 0.000 0.749 376 L CB -1.482 40.654 42.059 0.129 0.000 0.901 376 L HN 0.162 nan 8.230 nan 0.000 0.433 377 A N -0.939 121.910 122.820 0.048 0.000 1.933 377 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 377 A C 2.162 179.743 177.584 -0.004 0.000 1.175 377 A CA 1.763 53.817 52.037 0.028 0.000 0.628 377 A CB -0.537 18.486 19.000 0.037 0.000 0.814 377 A HN 0.608 nan 8.150 nan 0.000 0.444 378 E N -1.914 118.263 120.200 -0.039 0.000 2.107 378 E HA -0.154 4.194 4.350 -0.002 0.000 0.191 378 E C 1.844 178.382 176.600 -0.103 0.000 0.982 378 E CA 1.162 57.521 56.400 -0.068 0.000 0.809 378 E CB -0.267 29.389 29.700 -0.074 0.000 0.756 378 E HN 0.795 nan 8.360 nan 0.000 0.459 379 Y N 0.966 121.061 120.300 -0.342 0.000 2.181 379 Y HA -0.134 4.416 4.550 -0.001 0.000 0.288 379 Y C 1.781 177.563 175.900 -0.196 0.000 1.146 379 Y CA 1.277 59.147 58.100 -0.384 0.000 1.164 379 Y CB 0.195 38.265 38.460 -0.650 0.000 0.982 379 Y HN -0.061 nan 8.280 nan 0.000 0.515 380 L N -0.628 120.646 121.223 0.084 0.000 2.592 380 L HA 0.239 4.578 4.340 -0.002 0.000 0.227 380 L C 1.327 178.195 176.870 -0.003 0.000 1.127 380 L CA 0.478 55.353 54.840 0.057 0.000 0.884 380 L CB -0.361 41.744 42.059 0.077 0.000 1.065 380 L HN 0.425 nan 8.230 nan 0.000 0.457 381 G N 1.189 109.975 108.800 -0.023 0.000 2.273 381 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.280 381 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.280 381 G C 0.176 175.072 174.900 -0.007 0.000 1.047 381 G CA 0.116 45.203 45.100 -0.021 0.000 0.869 381 G HN 0.250 nan 8.290 nan 0.000 0.502 382 L N 0.000 121.225 121.223 0.003 0.000 2.949 382 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 382 L CA 0.000 54.847 54.840 0.011 0.000 0.813 382 L CB 0.000 42.073 42.059 0.023 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502