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 3n5t_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRXXXXXXX DATA SEQUENCE XXXXPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE 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 0.008 0.000 0.244 67 G C 0.000 174.820 174.900 -0.133 0.000 0.946 67 G CA 0.000 45.053 45.100 -0.078 0.000 0.502 68 P HA 0.230 nan 4.420 nan 0.000 0.264 68 P C 0.187 177.426 177.300 -0.100 0.000 1.179 68 P CA 0.197 63.147 63.100 -0.250 0.000 0.763 68 P CB 0.929 32.212 31.700 -0.695 0.000 0.806 69 K N 1.331 121.637 120.400 -0.157 0.000 2.591 69 K HA 0.090 4.415 4.320 0.008 0.000 0.197 69 K C -0.488 175.720 176.600 -0.652 0.000 1.026 69 K CA 0.120 56.149 56.287 -0.430 0.000 1.127 69 K CB -0.204 31.948 32.500 -0.579 0.000 0.871 69 K HN 0.363 nan 8.250 nan 0.000 0.507 70 F N 0.016 119.971 119.950 0.009 0.000 2.603 70 F HA 0.365 4.897 4.527 0.008 0.000 0.317 70 F C -2.146 173.748 175.800 0.157 0.000 1.066 70 F CA -2.988 55.047 58.000 0.058 0.000 0.941 70 F CB 0.867 39.902 39.000 0.060 0.000 1.291 70 F HN -0.117 nan 8.300 nan 0.000 0.472 71 P HA 0.032 nan 4.420 nan 0.000 0.264 71 P C -0.642 176.785 177.300 0.212 0.000 1.193 71 P CA -0.164 63.059 63.100 0.206 0.000 0.763 71 P CB 0.484 32.269 31.700 0.141 0.000 0.810 72 R N 3.238 123.796 120.500 0.096 0.000 2.349 72 R HA 0.388 4.733 4.340 0.008 0.000 0.299 72 R C -1.424 174.774 176.300 -0.169 0.000 1.027 72 R CA -0.446 55.508 56.100 -0.244 0.000 0.958 72 R CB 0.630 30.782 30.300 -0.247 0.000 1.047 72 R HN 0.251 nan 8.270 nan 0.000 0.468 73 V N 5.167 124.933 119.914 -0.247 0.000 2.443 73 V HA 0.340 4.464 4.120 0.008 0.000 0.293 73 V C -0.269 175.739 176.094 -0.143 0.000 1.021 73 V CA -0.798 61.439 62.300 -0.104 0.000 0.848 73 V CB 1.582 33.379 31.823 -0.044 0.000 0.998 73 V HN 0.681 nan 8.190 nan 0.000 0.424 74 K N 4.039 124.380 120.400 -0.098 0.000 2.270 74 K HA 0.453 4.778 4.320 0.008 0.000 0.255 74 K C -0.474 176.043 176.600 -0.137 0.000 0.936 74 K CA -0.635 55.518 56.287 -0.223 0.000 0.809 74 K CB 1.460 33.694 32.500 -0.444 0.000 1.131 74 K HN 0.692 nan 8.250 nan 0.000 0.427 75 N N 4.290 122.894 118.700 -0.160 0.000 2.437 75 N HA 0.087 4.832 4.740 0.008 0.000 0.259 75 N C -0.383 175.080 175.510 -0.079 0.000 0.983 75 N CA -0.346 52.705 53.050 0.002 0.000 0.937 75 N CB 0.509 39.024 38.487 0.048 0.000 1.122 75 N HN 0.709 nan 8.380 nan 0.000 0.499 76 W N 2.220 123.596 121.300 0.126 0.000 2.937 76 W HA 0.143 4.808 4.660 0.008 0.000 0.245 76 W C 2.035 178.588 176.519 0.056 0.000 1.306 76 W CA -0.156 57.248 57.345 0.099 0.000 1.470 76 W CB 0.353 29.893 29.460 0.133 0.000 1.132 76 W HN 0.667 nan 8.180 nan 0.000 0.675 77 E N 0.295 120.617 120.200 0.203 0.000 2.075 77 E HA -0.087 4.267 4.350 0.008 0.000 0.190 77 E C 1.723 178.344 176.600 0.036 0.000 0.969 77 E CA 0.951 57.383 56.400 0.053 0.000 0.815 77 E CB -0.142 29.570 29.700 0.020 0.000 0.776 77 E HN 0.248 nan 8.360 nan 0.000 0.457 78 L N -1.037 120.205 121.223 0.031 0.000 2.513 78 L HA 0.333 4.678 4.340 0.008 0.000 0.222 78 L C 1.554 178.398 176.870 -0.042 0.000 1.096 78 L CA 0.467 55.307 54.840 -0.000 0.000 0.857 78 L CB 0.511 42.575 42.059 0.007 0.000 1.026 78 L HN 0.362 nan 8.230 nan 0.000 0.469 79 G N 0.597 109.341 108.800 -0.094 0.000 2.148 79 G HA2 -0.307 3.658 3.960 0.008 0.000 0.254 79 G HA3 -0.307 3.658 3.960 0.008 0.000 0.254 79 G C 0.388 175.178 174.900 -0.183 0.000 0.981 79 G CA 0.397 45.387 45.100 -0.184 0.000 0.670 79 G HN 0.466 nan 8.290 nan 0.000 0.528 80 S N -0.181 115.438 115.700 -0.135 0.000 2.592 80 S HA 0.780 5.255 4.470 0.008 0.000 0.271 80 S C 0.058 174.563 174.600 -0.158 0.000 1.326 80 S CA -0.599 57.532 58.200 -0.116 0.000 1.024 80 S CB 2.016 65.176 63.200 -0.066 0.000 0.921 80 S HN 0.486 nan 8.310 nan 0.000 0.527 81 I N 2.078 122.561 120.570 -0.146 0.000 2.582 81 I HA 0.550 4.724 4.170 0.008 0.000 0.292 81 I C 0.234 176.247 176.117 -0.174 0.000 1.066 81 I CA -0.208 60.971 61.300 -0.202 0.000 1.053 81 I CB 1.649 39.526 38.000 -0.205 0.000 1.241 81 I HN 1.077 nan 8.210 nan 0.000 0.421 82 T N 2.042 116.455 114.554 -0.235 0.000 2.883 82 T HA 0.723 5.078 4.350 0.008 0.000 0.296 82 T C -1.241 173.266 174.700 -0.321 0.000 1.117 82 T CA -0.707 61.295 62.100 -0.162 0.000 1.006 82 T CB 1.932 70.756 68.868 -0.074 0.000 1.191 82 T HN 0.229 nan 8.240 nan 0.000 0.508 83 Y N 0.281 120.569 120.300 -0.019 0.000 2.393 83 Y HA 0.487 5.041 4.550 0.007 0.000 0.341 83 Y C 0.089 175.962 175.900 -0.045 0.000 0.988 83 Y CA -0.959 57.141 58.100 0.000 0.000 1.078 83 Y CB 1.632 40.106 38.460 0.023 0.000 1.203 83 Y HN 0.710 nan 8.280 nan 0.000 0.453 84 D N 1.914 122.392 120.400 0.131 0.000 2.347 84 D HA 0.078 4.723 4.640 0.008 0.000 0.235 84 D C 0.676 176.947 176.300 -0.049 0.000 1.149 84 D CA 0.075 54.102 54.000 0.045 0.000 0.850 84 D CB 1.237 42.095 40.800 0.096 0.000 1.061 84 D HN 0.796 nan 8.370 nan 0.000 0.487 85 T N 1.124 115.528 114.554 -0.250 0.000 3.014 85 T HA -0.047 4.308 4.350 0.008 0.000 0.250 85 T C 1.838 176.406 174.700 -0.220 0.000 1.060 85 T CA -0.221 61.560 62.100 -0.532 0.000 1.040 85 T CB 0.069 68.445 68.868 -0.820 0.000 0.971 85 T HN 0.267 nan 8.240 nan 0.000 0.497 86 L N 2.363 123.510 121.223 -0.127 0.000 2.201 86 L HA 0.069 4.414 4.340 0.008 0.000 0.212 86 L C 2.590 179.373 176.870 -0.145 0.000 1.105 86 L CA 1.225 56.031 54.840 -0.056 0.000 0.775 86 L CB -0.905 41.192 42.059 0.063 0.000 0.913 86 L HN 0.645 nan 8.230 nan 0.000 0.440 87 C N -1.385 117.662 119.300 -0.421 0.000 2.419 87 C HA 0.083 4.548 4.460 0.008 0.000 0.281 87 C C 2.823 177.620 174.990 -0.322 0.000 1.336 87 C CA 0.133 58.608 59.018 -0.905 0.000 1.770 87 C CB -2.125 24.946 27.740 -1.116 0.000 1.929 87 C HN 0.590 nan 8.230 nan 0.000 0.509 88 A N 0.205 122.970 122.820 -0.093 0.000 2.076 88 A HA -0.163 4.162 4.320 0.008 0.000 0.220 88 A C 2.260 179.847 177.584 0.005 0.000 1.160 88 A CA 1.809 53.856 52.037 0.016 0.000 0.653 88 A CB -0.491 18.599 19.000 0.148 0.000 0.801 88 A HN 0.689 nan 8.150 nan 0.000 0.455 89 Q N -0.015 119.782 119.800 -0.005 0.000 2.311 89 Q HA 0.023 4.368 4.340 0.008 0.000 0.203 89 Q C 1.110 177.143 176.000 0.055 0.000 0.954 89 Q CA 0.667 56.491 55.803 0.034 0.000 0.885 89 Q CB -0.591 28.178 28.738 0.052 0.000 0.963 89 Q HN 0.546 nan 8.270 nan 0.000 0.471 90 S N 1.603 117.334 115.700 0.051 0.000 2.555 90 S HA -0.047 4.428 4.470 0.008 0.000 0.293 90 S C 0.572 175.212 174.600 0.067 0.000 1.248 90 S CA 0.072 58.330 58.200 0.097 0.000 1.096 90 S CB 0.228 63.498 63.200 0.117 0.000 0.881 90 S HN 0.094 nan 8.310 nan 0.000 0.498 91 Q N 3.436 123.278 119.800 0.071 0.000 2.206 91 Q HA 0.303 4.647 4.340 0.008 0.000 0.265 91 Q C -0.375 175.655 176.000 0.050 0.000 0.866 91 Q CA 0.074 55.910 55.803 0.054 0.000 1.073 91 Q CB 0.552 29.323 28.738 0.055 0.000 1.165 91 Q HN 0.801 nan 8.270 nan 0.000 0.465 92 Q N 0.489 120.323 119.800 0.056 0.000 2.320 92 Q HA 0.216 4.560 4.340 0.008 0.000 0.272 92 Q C -1.648 174.384 176.000 0.054 0.000 1.023 92 Q CA -0.459 55.373 55.803 0.049 0.000 0.855 92 Q CB 1.697 30.463 28.738 0.047 0.000 1.367 92 Q HN 0.018 nan 8.270 nan 0.000 0.406 93 D N 1.877 122.302 120.400 0.042 0.000 2.210 93 D HA 0.385 5.030 4.640 0.008 0.000 0.249 93 D C 0.284 176.609 176.300 0.041 0.000 1.078 93 D CA 0.098 54.123 54.000 0.042 0.000 0.875 93 D CB 1.593 42.410 40.800 0.030 0.000 1.175 93 D HN 0.654 nan 8.370 nan 0.000 0.440 94 G N 1.138 109.967 108.800 0.048 0.000 2.509 94 G HA2 0.315 4.279 3.960 0.008 0.000 0.269 94 G HA3 0.315 4.279 3.960 0.008 0.000 0.269 94 G C -1.376 173.542 174.900 0.030 0.000 1.416 94 G CA -0.527 44.597 45.100 0.040 0.000 1.052 94 G HN 0.387 nan 8.290 nan 0.000 0.542 95 P HA 0.211 nan 4.420 nan 0.000 0.257 95 P C 0.126 177.439 177.300 0.022 0.000 1.241 95 P CA -0.117 62.995 63.100 0.020 0.000 0.816 95 P CB 0.169 31.879 31.700 0.016 0.000 1.150 96 C N 0.961 120.278 119.300 0.028 0.000 2.520 96 C HA 0.615 5.080 4.460 0.008 0.000 0.376 96 C C 1.058 176.061 174.990 0.021 0.000 1.268 96 C CA 0.076 59.109 59.018 0.025 0.000 2.414 96 C CB 0.926 28.685 27.740 0.032 0.000 2.521 96 C HN 0.380 nan 8.230 nan 0.000 0.618 97 T N -1.461 113.103 114.554 0.016 0.000 2.865 97 T HA 0.449 4.803 4.350 0.008 0.000 0.294 97 T C -2.384 172.322 174.700 0.011 0.000 1.119 97 T CA -1.195 60.913 62.100 0.013 0.000 1.007 97 T CB 1.207 70.081 68.868 0.009 0.000 1.225 97 T HN 0.288 nan 8.240 nan 0.000 0.515 98 P HA 0.055 nan 4.420 nan 0.000 0.221 98 P C 1.379 178.682 177.300 0.004 0.000 1.145 98 P CA 0.680 63.783 63.100 0.006 0.000 0.795 98 P CB 0.148 31.850 31.700 0.003 0.000 0.775 99 R N -0.731 119.771 120.500 0.004 0.000 2.127 99 R HA 0.067 4.412 4.340 0.008 0.000 0.217 99 R C 0.887 177.189 176.300 0.002 0.000 1.074 99 R CA 0.697 56.799 56.100 0.002 0.000 0.991 99 R CB 0.142 30.443 30.300 0.002 0.000 0.895 99 R HN 0.206 nan 8.270 nan 0.000 0.450 100 R N -0.258 120.244 120.500 0.004 0.000 2.594 100 R HA 0.126 4.470 4.340 0.008 0.000 0.265 100 R C -1.687 174.617 176.300 0.008 0.000 1.070 100 R CA -0.626 55.477 56.100 0.004 0.000 0.909 100 R CB 0.407 30.709 30.300 0.004 0.000 1.243 100 R HN 0.015 nan 8.270 nan 0.000 0.455 101 C N 4.222 123.526 119.300 0.007 0.000 2.285 101 C HA 0.525 4.990 4.460 0.008 0.000 0.335 101 C C 0.234 175.234 174.990 0.016 0.000 1.267 101 C CA -0.582 58.443 59.018 0.012 0.000 1.762 101 C CB -0.576 27.168 27.740 0.006 0.000 2.365 101 C HN 0.671 nan 8.230 nan 0.000 0.527 102 L N 6.214 127.451 121.223 0.022 0.000 3.017 102 L HA 0.344 4.689 4.340 0.008 0.000 0.255 102 L C 1.968 178.861 176.870 0.038 0.000 1.247 102 L CA 0.623 55.478 54.840 0.026 0.000 1.038 102 L CB -0.153 41.918 42.059 0.020 0.000 1.380 102 L HN 1.033 nan 8.230 nan 0.000 0.548 103 G N -0.741 108.086 108.800 0.045 0.000 2.559 103 G HA2 -0.186 3.778 3.960 0.008 0.000 0.216 103 G HA3 -0.186 3.778 3.960 0.008 0.000 0.216 103 G C 1.315 176.272 174.900 0.095 0.000 1.126 103 G CA 1.039 46.177 45.100 0.064 0.000 0.778 103 G HN 0.514 nan 8.290 nan 0.000 0.543 104 S N -0.344 115.410 115.700 0.090 0.000 2.540 104 S HA 0.368 4.843 4.470 0.008 0.000 0.218 104 S C 0.754 175.426 174.600 0.120 0.000 0.977 104 S CA -0.620 57.657 58.200 0.127 0.000 0.918 104 S CB -0.051 63.213 63.200 0.107 0.000 0.806 104 S HN 0.121 nan 8.310 nan 0.000 0.496 105 L N 2.026 123.297 121.223 0.081 0.000 2.453 105 L HA 0.167 4.512 4.340 0.008 0.000 0.272 105 L C 1.531 178.452 176.870 0.084 0.000 1.182 105 L CA -0.423 54.455 54.840 0.062 0.000 0.858 105 L CB 0.584 42.659 42.059 0.027 0.000 1.120 105 L HN 0.057 nan 8.230 nan 0.000 0.474 106 V N 4.247 124.215 119.914 0.090 0.000 2.283 106 V HA -0.138 3.987 4.120 0.008 0.000 0.243 106 V C 0.866 176.941 176.094 -0.032 0.000 1.039 106 V CA 1.222 63.590 62.300 0.114 0.000 1.016 106 V CB -0.181 31.729 31.823 0.146 0.000 0.650 106 V HN 0.504 nan 8.190 nan 0.000 0.449 107 L N 2.328 123.497 121.223 -0.089 0.000 2.276 107 L HA 0.437 4.781 4.340 0.008 0.000 0.286 107 L C -2.461 174.362 176.870 -0.078 0.000 1.024 107 L CA -1.552 53.194 54.840 -0.157 0.000 0.826 107 L CB 1.204 43.111 42.059 -0.253 0.000 1.211 107 L HN 0.202 nan 8.230 nan 0.000 0.422 108 P HA 0.426 nan 4.420 nan 0.000 0.286 108 P C -0.422 176.866 177.300 -0.020 0.000 1.261 108 P CA -0.858 62.227 63.100 -0.025 0.000 0.821 108 P CB 0.955 32.648 31.700 -0.012 0.000 1.013 122 A N 2.122 124.943 122.820 0.002 0.000 2.765 122 A HA -0.362 3.963 4.320 0.008 0.000 0.248 122 A C 1.813 179.397 177.584 -0.001 0.000 1.114 122 A CA 2.618 54.656 52.037 0.001 0.000 1.090 122 A CB -0.850 18.150 19.000 -0.000 0.000 0.541 122 A HN 0.535 nan 8.150 nan 0.000 0.446 123 E N -1.206 118.993 120.200 -0.002 0.000 2.160 123 E HA -0.183 4.172 4.350 0.008 0.000 0.195 123 E C 2.082 178.682 176.600 0.001 0.000 0.991 123 E CA 1.420 57.818 56.400 -0.003 0.000 0.810 123 E CB -0.199 29.500 29.700 -0.002 0.000 0.742 123 E HN 0.671 nan 8.360 nan 0.000 0.466 124 Q N 0.967 120.771 119.800 0.005 0.000 2.061 124 Q HA -0.146 4.199 4.340 0.008 0.000 0.204 124 Q C 2.021 178.031 176.000 0.016 0.000 0.984 124 Q CA 1.421 57.230 55.803 0.011 0.000 0.846 124 Q CB -0.342 28.402 28.738 0.010 0.000 0.902 124 Q HN 0.416 nan 8.270 nan 0.000 0.421 125 L N -0.611 120.621 121.223 0.016 0.000 2.017 125 L HA -0.176 4.169 4.340 0.008 0.000 0.208 125 L C 2.055 178.931 176.870 0.010 0.000 1.073 125 L CA 0.922 55.779 54.840 0.029 0.000 0.745 125 L CB -0.328 41.754 42.059 0.038 0.000 0.894 125 L HN 0.364 nan 8.230 nan 0.000 0.432 126 L N -0.153 121.061 121.223 -0.016 0.000 2.012 126 L HA -0.251 4.094 4.340 0.008 0.000 0.210 126 L C 2.926 179.780 176.870 -0.027 0.000 1.073 126 L CA 2.344 57.154 54.840 -0.049 0.000 0.748 126 L CB -0.764 41.272 42.059 -0.040 0.000 0.891 126 L HN 0.453 nan 8.230 nan 0.000 0.431 127 S N -2.306 113.395 115.700 0.001 0.000 2.414 127 S HA -0.167 4.308 4.470 0.008 0.000 0.227 127 S C 1.839 176.468 174.600 0.048 0.000 1.022 127 S CA 0.626 58.837 58.200 0.019 0.000 0.958 127 S CB -0.433 62.779 63.200 0.019 0.000 0.797 127 S HN 0.546 nan 8.310 nan 0.000 0.493 128 Q N 1.281 121.115 119.800 0.056 0.000 2.046 128 Q HA 0.028 4.372 4.340 0.008 0.000 0.200 128 Q C 2.664 178.749 176.000 0.141 0.000 0.975 128 Q CA 1.410 57.269 55.803 0.093 0.000 0.836 128 Q CB -0.573 28.213 28.738 0.080 0.000 0.896 128 Q HN 0.742 nan 8.270 nan 0.000 0.428 129 A N 1.410 124.287 122.820 0.096 0.000 1.883 129 A HA -0.240 4.084 4.320 0.008 0.000 0.217 129 A C 2.022 179.668 177.584 0.103 0.000 1.186 129 A CA 1.543 53.624 52.037 0.073 0.000 0.624 129 A CB -0.524 18.305 19.000 -0.285 0.000 0.822 129 A HN 0.227 nan 8.150 nan 0.000 0.444 130 R N -0.842 119.684 120.500 0.044 0.000 2.105 130 R HA -0.186 4.158 4.340 0.008 0.000 0.239 130 R C 2.028 178.402 176.300 0.123 0.000 1.135 130 R CA 1.754 57.890 56.100 0.060 0.000 0.967 130 R CB -0.416 29.898 30.300 0.023 0.000 0.861 130 R HN 0.766 nan 8.270 nan 0.000 0.442 131 D N -0.190 120.295 120.400 0.140 0.000 2.117 131 D HA -0.181 4.464 4.640 0.008 0.000 0.198 131 D C 1.664 178.093 176.300 0.215 0.000 0.982 131 D CA 0.789 54.882 54.000 0.155 0.000 0.828 131 D CB -0.046 40.839 40.800 0.141 0.000 0.967 131 D HN 0.129 nan 8.370 nan 0.000 0.464 132 F N 0.847 120.886 119.950 0.149 0.000 2.134 132 F HA -0.090 4.441 4.527 0.007 0.000 0.299 132 F C 1.875 177.823 175.800 0.247 0.000 1.097 132 F CA 1.018 59.143 58.000 0.208 0.000 1.264 132 F CB -0.192 38.938 39.000 0.217 0.000 1.001 132 F HN -0.021 nan 8.300 nan 0.000 0.479 133 I N 1.073 121.709 120.570 0.110 0.000 2.163 133 I HA -0.336 3.839 4.170 0.008 0.000 0.243 133 I C 2.065 178.247 176.117 0.108 0.000 1.085 133 I CA 1.341 62.707 61.300 0.111 0.000 1.347 133 I CB -1.792 36.364 38.000 0.260 0.000 1.044 133 I HN 0.217 nan 8.210 nan 0.000 0.408 134 N N 0.950 119.738 118.700 0.146 0.000 2.094 134 N HA -0.226 4.519 4.740 0.008 0.000 0.191 134 N C 1.852 177.322 175.510 -0.068 0.000 1.023 134 N CA 1.207 54.311 53.050 0.090 0.000 0.857 134 N CB -0.437 38.139 38.487 0.150 0.000 1.013 134 N HN 0.504 nan 8.380 nan 0.000 0.426 135 Q N -0.976 118.786 119.800 -0.063 0.000 2.124 135 Q HA -0.177 4.168 4.340 0.008 0.000 0.202 135 Q C 1.717 177.500 176.000 -0.362 0.000 0.977 135 Q CA 1.252 57.010 55.803 -0.076 0.000 0.850 135 Q CB -0.163 28.646 28.738 0.119 0.000 0.901 135 Q HN 0.503 nan 8.270 nan 0.000 0.429 136 Y N -0.446 119.419 120.300 -0.725 0.000 2.184 136 Y HA -0.232 4.322 4.550 0.006 0.000 0.290 136 Y C 1.563 176.942 175.900 -0.869 0.000 1.129 136 Y CA 1.396 58.819 58.100 -1.127 0.000 1.144 136 Y CB -0.382 37.475 38.460 -1.005 0.000 0.995 136 Y HN 0.067 nan 8.280 nan 0.000 0.513 137 Y N -0.271 119.625 120.300 -0.672 0.000 2.274 137 Y HA -0.206 4.349 4.550 0.009 0.000 0.290 137 Y C 2.804 178.367 175.900 -0.561 0.000 1.145 137 Y CA 1.669 59.345 58.100 -0.706 0.000 1.203 137 Y CB -0.566 37.362 38.460 -0.888 0.000 0.984 137 Y HN 0.091 nan 8.280 nan 0.000 0.533 138 S N -0.578 114.914 115.700 -0.347 0.000 2.356 138 S HA -0.227 4.248 4.470 0.008 0.000 0.223 138 S C 2.294 176.724 174.600 -0.284 0.000 1.032 138 S CA 1.492 59.548 58.200 -0.239 0.000 1.005 138 S CB -0.644 62.472 63.200 -0.140 0.000 0.867 138 S HN 0.642 nan 8.310 nan 0.000 0.449 139 S N 2.187 117.634 115.700 -0.422 0.000 2.419 139 S HA -0.076 4.398 4.470 0.008 0.000 0.233 139 S C 1.586 175.943 174.600 -0.405 0.000 1.016 139 S CA 1.143 59.122 58.200 -0.367 0.000 0.974 139 S CB -0.807 62.080 63.200 -0.523 0.000 0.786 139 S HN 0.714 nan 8.310 nan 0.000 0.492 140 I N -3.138 117.082 120.570 -0.583 0.000 3.861 140 I HA 0.401 4.575 4.170 0.008 0.000 0.329 140 I C -0.210 175.744 176.117 -0.271 0.000 1.321 140 I CA -0.512 60.513 61.300 -0.458 0.000 1.126 140 I CB -0.106 37.506 38.000 -0.648 0.000 1.018 140 I HN -0.121 nan 8.210 nan 0.000 0.407 141 K N 2.003 122.271 120.400 -0.220 0.000 3.096 141 K HA -0.154 4.170 4.320 0.008 0.000 0.266 141 K C -0.053 176.492 176.600 -0.092 0.000 1.043 141 K CA 0.473 56.684 56.287 -0.128 0.000 0.758 141 K CB -1.538 30.906 32.500 -0.092 0.000 1.260 141 K HN 0.559 nan 8.250 nan 0.000 0.481 142 R N -0.511 119.934 120.500 -0.091 0.000 2.659 142 R HA 0.124 4.468 4.340 0.008 0.000 0.418 142 R C -0.110 176.204 176.300 0.023 0.000 1.076 142 R CA -0.292 55.810 56.100 0.004 0.000 1.093 142 R CB 0.800 31.155 30.300 0.092 0.000 1.400 142 R HN 0.032 nan 8.270 nan 0.000 0.583 143 S N -0.163 115.523 115.700 -0.024 0.000 2.498 143 S HA 0.343 4.817 4.470 0.008 0.000 0.281 143 S C 1.229 175.911 174.600 0.137 0.000 1.265 143 S CA 1.292 59.504 58.200 0.020 0.000 1.071 143 S CB 0.594 63.788 63.200 -0.012 0.000 0.894 143 S HN 0.731 nan 8.310 nan 0.000 0.491 144 G N 3.027 112.031 108.800 0.339 0.000 2.213 144 G HA2 -0.274 3.691 3.960 0.008 0.000 0.236 144 G HA3 -0.274 3.691 3.960 0.008 0.000 0.236 144 G C 0.314 175.233 174.900 0.032 0.000 0.991 144 G CA 0.229 45.395 45.100 0.109 0.000 0.629 144 G HN 1.207 nan 8.290 nan 0.000 0.517 145 S N -0.453 115.286 115.700 0.065 0.000 2.617 145 S HA 0.472 4.947 4.470 0.008 0.000 0.259 145 S C 1.286 175.863 174.600 -0.038 0.000 1.301 145 S CA 0.790 58.997 58.200 0.011 0.000 0.984 145 S CB 1.467 64.686 63.200 0.032 0.000 0.954 145 S HN 0.527 nan 8.310 nan 0.000 0.572 146 Q N 0.417 120.197 119.800 -0.033 0.000 2.079 146 Q HA -0.050 4.295 4.340 0.008 0.000 0.200 146 Q C 2.262 178.225 176.000 -0.062 0.000 0.974 146 Q CA 1.401 57.175 55.803 -0.048 0.000 0.840 146 Q CB -0.759 27.964 28.738 -0.024 0.000 0.898 146 Q HN 0.925 nan 8.270 nan 0.000 0.430 147 A N 0.047 122.846 122.820 -0.034 0.000 1.933 147 A HA -0.249 4.075 4.320 0.008 0.000 0.218 147 A C 1.878 179.326 177.584 -0.227 0.000 1.175 147 A CA 1.689 53.714 52.037 -0.021 0.000 0.628 147 A CB -1.038 18.034 19.000 0.120 0.000 0.814 147 A HN 0.696 nan 8.150 nan 0.000 0.444 148 H N -0.345 118.362 119.070 -0.605 0.000 2.290 148 H HA -0.129 4.432 4.556 0.008 0.000 0.298 148 H C 1.808 176.842 175.328 -0.490 0.000 1.087 148 H CA 1.441 56.877 56.048 -1.020 0.000 1.291 148 H CB 0.098 29.416 29.762 -0.740 0.000 1.369 148 H HN 0.475 nan 8.280 nan 0.000 0.492 149 E N 0.540 120.519 120.200 -0.369 0.000 2.204 149 E HA -0.136 4.218 4.350 0.008 0.000 0.194 149 E C 2.013 178.506 176.600 -0.180 0.000 0.989 149 E CA 0.659 56.865 56.400 -0.323 0.000 0.824 149 E CB -0.082 29.471 29.700 -0.244 0.000 0.756 149 E HN 0.694 nan 8.360 nan 0.000 0.477 150 E N 0.605 120.727 120.200 -0.130 0.000 2.107 150 E HA -0.141 4.213 4.350 0.008 0.000 0.191 150 E C 2.146 178.728 176.600 -0.030 0.000 0.982 150 E CA 0.522 56.885 56.400 -0.062 0.000 0.809 150 E CB 0.052 29.734 29.700 -0.030 0.000 0.756 150 E HN -0.081 nan 8.360 nan 0.000 0.459 151 R N 1.280 121.760 120.500 -0.034 0.000 2.075 151 R HA -0.078 4.267 4.340 0.008 0.000 0.232 151 R C 2.074 178.394 176.300 0.033 0.000 1.126 151 R CA 1.152 57.286 56.100 0.056 0.000 0.963 151 R CB -0.722 29.681 30.300 0.171 0.000 0.858 151 R HN 0.144 nan 8.270 nan 0.000 0.435 152 L N 0.334 121.540 121.223 -0.030 0.000 1.990 152 L HA -0.272 4.073 4.340 0.008 0.000 0.213 152 L C 2.640 179.476 176.870 -0.057 0.000 1.072 152 L CA 1.971 56.779 54.840 -0.053 0.000 0.755 152 L CB -0.534 41.448 42.059 -0.129 0.000 0.889 152 L HN 0.340 nan 8.230 nan 0.000 0.432 153 Q N -0.477 119.287 119.800 -0.060 0.000 2.077 153 Q HA -0.313 4.032 4.340 0.008 0.000 0.206 153 Q C 2.156 178.144 176.000 -0.021 0.000 0.989 153 Q CA 2.140 57.917 55.803 -0.043 0.000 0.853 153 Q CB -0.230 28.483 28.738 -0.042 0.000 0.907 153 Q HN 0.498 nan 8.270 nan 0.000 0.418 154 E N 0.172 120.372 120.200 0.001 0.000 2.085 154 E HA -0.204 4.151 4.350 0.008 0.000 0.194 154 E C 1.948 178.566 176.600 0.029 0.000 0.994 154 E CA 1.351 57.769 56.400 0.030 0.000 0.801 154 E CB 0.055 29.791 29.700 0.060 0.000 0.743 154 E HN 0.130 nan 8.360 nan 0.000 0.453 155 V N 1.010 120.923 119.914 -0.001 0.000 2.358 155 V HA -0.219 3.906 4.120 0.008 0.000 0.246 155 V C 2.022 178.042 176.094 -0.123 0.000 1.047 155 V CA 2.173 64.423 62.300 -0.083 0.000 1.035 155 V CB -0.392 31.305 31.823 -0.210 0.000 0.658 155 V HN 0.315 nan 8.190 nan 0.000 0.452 156 E N 0.243 120.388 120.200 -0.092 0.000 2.047 156 E HA -0.175 4.180 4.350 0.008 0.000 0.191 156 E C 2.347 178.928 176.600 -0.033 0.000 0.987 156 E CA 1.258 57.616 56.400 -0.070 0.000 0.799 156 E CB -0.409 29.255 29.700 -0.059 0.000 0.752 156 E HN 0.582 nan 8.360 nan 0.000 0.449 157 A N 1.537 124.347 122.820 -0.015 0.000 1.903 157 A HA -0.321 4.003 4.320 0.008 0.000 0.219 157 A C 2.086 179.681 177.584 0.018 0.000 1.191 157 A CA 1.910 53.950 52.037 0.004 0.000 0.638 157 A CB -0.543 18.465 19.000 0.013 0.000 0.823 157 A HN 0.231 nan 8.150 nan 0.000 0.451 158 E N -0.595 119.624 120.200 0.031 0.000 2.072 158 E HA -0.098 4.257 4.350 0.008 0.000 0.191 158 E C 2.038 178.665 176.600 0.046 0.000 0.985 158 E CA 1.235 57.670 56.400 0.059 0.000 0.801 158 E CB -0.092 29.674 29.700 0.111 0.000 0.750 158 E HN 0.397 nan 8.360 nan 0.000 0.452 159 V N 1.301 121.229 119.914 0.023 0.000 2.295 159 V HA -0.198 3.927 4.120 0.008 0.000 0.246 159 V C 1.764 177.864 176.094 0.009 0.000 1.049 159 V CA 1.585 63.895 62.300 0.017 0.000 1.024 159 V CB -0.613 31.198 31.823 -0.020 0.000 0.648 159 V HN 0.279 nan 8.190 nan 0.000 0.447 160 A N -1.042 121.779 122.820 0.000 0.000 2.900 160 A HA 0.390 4.715 4.320 0.008 0.000 0.246 160 A C 1.427 179.017 177.584 0.010 0.000 1.725 160 A CA 1.124 53.163 52.037 0.002 0.000 1.400 160 A CB -0.314 18.683 19.000 -0.005 0.000 0.973 160 A HN 0.455 nan 8.150 nan 0.000 0.635 161 S N -1.591 114.119 115.700 0.016 0.000 3.294 161 S HA -0.082 4.392 4.470 0.008 0.000 0.195 161 S C 1.583 176.199 174.600 0.025 0.000 0.943 161 S CA 1.120 59.333 58.200 0.022 0.000 1.266 161 S CB -0.429 62.788 63.200 0.029 0.000 1.152 161 S HN 0.958 nan 8.310 nan 0.000 0.386 162 T N -1.396 113.174 114.554 0.028 0.000 2.985 162 T HA 0.493 4.848 4.350 0.008 0.000 0.254 162 T C 1.667 176.377 174.700 0.016 0.000 1.021 162 T CA 1.257 63.373 62.100 0.027 0.000 0.957 162 T CB 0.493 69.381 68.868 0.034 0.000 1.047 162 T HN 1.494 nan 8.240 nan 0.000 0.511 163 G N 0.468 109.278 108.800 0.016 0.000 2.245 163 G HA2 -0.256 3.709 3.960 0.008 0.000 0.264 163 G HA3 -0.256 3.709 3.960 0.008 0.000 0.264 163 G C 0.255 175.165 174.900 0.016 0.000 0.985 163 G CA 0.667 45.775 45.100 0.013 0.000 0.625 163 G HN 0.933 nan 8.290 nan 0.000 0.536 164 T N -1.165 113.394 114.554 0.008 0.000 2.693 164 T HA 0.761 5.116 4.350 0.008 0.000 0.278 164 T C -0.889 173.840 174.700 0.049 0.000 0.994 164 T CA 0.388 62.486 62.100 -0.004 0.000 1.033 164 T CB 1.552 70.347 68.868 -0.121 0.000 1.342 164 T HN 1.461 nan 8.240 nan 0.000 0.538 165 Y N -0.903 119.233 120.300 -0.273 0.000 2.725 165 Y HA 0.705 5.259 4.550 0.008 0.000 0.333 165 Y C -1.593 174.050 175.900 -0.427 0.000 1.242 165 Y CA -1.228 56.700 58.100 -0.288 0.000 1.059 165 Y CB 0.817 39.225 38.460 -0.086 0.000 1.306 165 Y HN 0.647 nan 8.280 nan 0.000 0.454 166 H N 1.592 120.585 119.070 -0.128 0.000 2.637 166 H HA 0.539 5.100 4.556 0.008 0.000 0.363 166 H C -0.961 174.325 175.328 -0.069 0.000 1.131 166 H CA -0.862 55.081 56.048 -0.175 0.000 1.183 166 H CB 2.488 32.235 29.762 -0.026 0.000 1.637 166 H HN 0.675 nan 8.280 nan 0.000 0.531 167 L N 2.669 123.923 121.223 0.053 0.000 2.371 167 L HA 0.307 4.651 4.340 0.008 0.000 0.272 167 L C 1.113 178.035 176.870 0.086 0.000 1.124 167 L CA -0.556 54.344 54.840 0.100 0.000 0.816 167 L CB 0.567 42.665 42.059 0.065 0.000 1.129 167 L HN 0.344 nan 8.230 nan 0.000 0.448 168 R N 1.611 122.150 120.500 0.065 0.000 2.707 168 R HA -0.008 4.337 4.340 0.008 0.000 0.270 168 R C 1.133 177.418 176.300 -0.025 0.000 1.083 168 R CA -0.333 55.775 56.100 0.014 0.000 1.182 168 R CB 0.694 30.987 30.300 -0.011 0.000 1.084 168 R HN 0.705 nan 8.270 nan 0.000 0.528 169 E N 1.238 121.422 120.200 -0.026 0.000 2.065 169 E HA -0.270 4.085 4.350 0.008 0.000 0.201 169 E C 1.436 178.014 176.600 -0.037 0.000 1.016 169 E CA 2.468 58.846 56.400 -0.037 0.000 0.818 169 E CB 0.037 29.721 29.700 -0.027 0.000 0.749 169 E HN 0.678 nan 8.360 nan 0.000 0.453 170 S N -0.076 115.600 115.700 -0.039 0.000 2.428 170 S HA -0.112 4.362 4.470 0.008 0.000 0.230 170 S C 1.724 176.289 174.600 -0.058 0.000 1.014 170 S CA 1.000 59.198 58.200 -0.003 0.000 0.957 170 S CB -0.196 63.041 63.200 0.061 0.000 0.784 170 S HN 0.341 nan 8.310 nan 0.000 0.499 171 E N 1.069 121.111 120.200 -0.264 0.000 2.077 171 E HA -0.079 4.276 4.350 0.008 0.000 0.193 171 E C 1.997 178.731 176.600 0.222 0.000 0.989 171 E CA 1.142 57.438 56.400 -0.174 0.000 0.800 171 E CB -0.335 29.288 29.700 -0.128 0.000 0.746 171 E HN 0.412 nan 8.360 nan 0.000 0.452 172 L N 0.814 122.072 121.223 0.058 0.000 2.046 172 L HA -0.153 4.191 4.340 0.008 0.000 0.208 172 L C 2.225 179.093 176.870 -0.003 0.000 1.077 172 L CA 1.335 56.157 54.840 -0.029 0.000 0.747 172 L CB -0.248 41.725 42.059 -0.144 0.000 0.896 172 L HN -0.056 nan 8.230 nan 0.000 0.432 173 V N -0.510 119.425 119.914 0.035 0.000 2.407 173 V HA -0.301 3.824 4.120 0.008 0.000 0.248 173 V C 2.285 178.477 176.094 0.164 0.000 1.055 173 V CA 2.067 64.400 62.300 0.055 0.000 1.049 173 V CB -0.914 30.943 31.823 0.057 0.000 0.662 173 V HN 0.578 nan 8.190 nan 0.000 0.455 174 F N 1.821 121.849 119.950 0.130 0.000 2.163 174 F HA 0.107 4.638 4.527 0.006 0.000 0.297 174 F C 2.128 178.075 175.800 0.245 0.000 1.094 174 F CA 1.496 59.627 58.000 0.219 0.000 1.290 174 F CB -0.692 38.493 39.000 0.309 0.000 1.017 174 F HN 0.109 nan 8.300 nan 0.000 0.483 175 G N -0.055 108.842 108.800 0.161 0.000 2.394 175 G HA2 -0.141 3.824 3.960 0.008 0.000 0.215 175 G HA3 -0.141 3.824 3.960 0.008 0.000 0.215 175 G C 1.842 176.624 174.900 -0.197 0.000 1.165 175 G CA 0.708 45.799 45.100 -0.015 0.000 0.784 175 G HN 0.591 nan 8.290 nan 0.000 0.535 176 A N 1.214 123.946 122.820 -0.146 0.000 1.873 176 A HA -0.097 4.228 4.320 0.008 0.000 0.218 176 A C 2.300 179.860 177.584 -0.040 0.000 1.193 176 A CA 2.171 54.124 52.037 -0.140 0.000 0.629 176 A CB -0.474 18.477 19.000 -0.082 0.000 0.826 176 A HN 0.376 nan 8.150 nan 0.000 0.447 177 K N -1.218 119.204 120.400 0.037 0.000 2.063 177 K HA -0.210 4.115 4.320 0.008 0.000 0.208 177 K C 2.396 179.024 176.600 0.047 0.000 1.048 177 K CA 1.662 58.069 56.287 0.201 0.000 0.928 177 K CB -0.161 32.519 32.500 0.298 0.000 0.713 177 K HN 0.459 nan 8.250 nan 0.000 0.442 178 Q N 0.663 120.311 119.800 -0.252 0.000 2.084 178 Q HA -0.107 4.237 4.340 0.008 0.000 0.202 178 Q C 1.927 177.754 176.000 -0.288 0.000 0.978 178 Q CA 1.901 57.455 55.803 -0.415 0.000 0.844 178 Q CB -0.301 28.045 28.738 -0.654 0.000 0.898 178 Q HN 0.349 nan 8.270 nan 0.000 0.426 179 A N -0.592 122.049 122.820 -0.297 0.000 1.908 179 A HA -0.202 4.123 4.320 0.008 0.000 0.218 179 A C 1.851 179.373 177.584 -0.103 0.000 1.181 179 A CA 1.578 53.376 52.037 -0.399 0.000 0.627 179 A CB -1.286 17.160 19.000 -0.924 0.000 0.818 179 A HN 0.714 nan 8.150 nan 0.000 0.445 180 W N 0.884 122.133 121.300 -0.085 0.000 2.355 180 W HA -0.131 4.532 4.660 0.005 0.000 0.309 180 W C 2.332 178.826 176.519 -0.041 0.000 1.206 180 W CA 1.536 58.934 57.345 0.088 0.000 1.284 180 W CB -0.705 28.816 29.460 0.101 0.000 1.145 180 W HN 0.353 nan 8.180 nan 0.000 0.502 181 R N 0.227 120.642 120.500 -0.143 0.000 2.117 181 R HA -0.223 4.122 4.340 0.008 0.000 0.243 181 R C 1.680 177.811 176.300 -0.282 0.000 1.143 181 R CA 1.956 57.749 56.100 -0.512 0.000 0.968 181 R CB -0.569 29.127 30.300 -1.008 0.000 0.863 181 R HN 0.143 nan 8.270 nan 0.000 0.444 182 N N 0.172 118.764 118.700 -0.180 0.000 2.446 182 N HA 0.004 4.748 4.740 0.008 0.000 0.179 182 N C -0.158 175.315 175.510 -0.061 0.000 1.054 182 N CA 0.731 53.703 53.050 -0.129 0.000 0.905 182 N CB 0.095 38.507 38.487 -0.126 0.000 0.973 182 N HN 0.168 nan 8.380 nan 0.000 0.448 183 A N 2.103 124.942 122.820 0.031 0.000 2.496 183 A HA 0.179 4.504 4.320 0.008 0.000 0.278 183 A C -1.255 176.337 177.584 0.014 0.000 1.137 183 A CA -0.835 51.240 52.037 0.063 0.000 0.805 183 A CB 0.161 19.268 19.000 0.178 0.000 1.077 183 A HN 0.042 nan 8.150 nan 0.000 0.513 184 P HA -0.112 nan 4.420 nan 0.000 0.221 184 P C 1.081 178.353 177.300 -0.048 0.000 1.145 184 P CA 1.165 64.228 63.100 -0.062 0.000 0.795 184 P CB 0.172 31.800 31.700 -0.119 0.000 0.775 185 R N -2.368 118.069 120.500 -0.104 0.000 2.334 185 R HA 0.171 4.515 4.340 0.008 0.000 0.216 185 R C 0.113 176.424 176.300 0.018 0.000 0.905 185 R CA -0.157 55.874 56.100 -0.114 0.000 1.064 185 R CB -0.246 29.754 30.300 -0.500 0.000 1.046 185 R HN 0.156 nan 8.270 nan 0.000 0.508 186 C N 0.754 120.070 119.300 0.026 0.000 2.246 186 C HA 0.205 4.669 4.460 0.008 0.000 0.329 186 C C 1.989 176.970 174.990 -0.015 0.000 1.221 186 C CA -0.635 58.425 59.018 0.070 0.000 1.697 186 C CB 0.346 28.203 27.740 0.195 0.000 2.312 186 C HN 0.276 nan 8.230 nan 0.000 0.509 187 V N 5.929 125.776 119.914 -0.112 0.000 2.970 187 V HA 0.107 4.232 4.120 0.008 0.000 0.260 187 V C 1.921 178.010 176.094 -0.008 0.000 1.100 187 V CA 2.351 64.466 62.300 -0.308 0.000 1.122 187 V CB -0.249 31.410 31.823 -0.274 0.000 0.721 187 V HN 1.069 nan 8.190 nan 0.000 0.483 188 G N -0.790 108.070 108.800 0.101 0.000 3.383 188 G HA2 0.023 3.987 3.960 0.008 0.000 0.251 188 G HA3 0.023 3.987 3.960 0.008 0.000 0.251 188 G C 1.220 176.191 174.900 0.118 0.000 1.203 188 G CA -0.351 44.842 45.100 0.156 0.000 0.852 188 G HN 0.438 nan 8.290 nan 0.000 0.531 189 R N -0.290 120.170 120.500 -0.067 0.000 2.323 189 R HA 0.213 4.557 4.340 0.008 0.000 0.198 189 R C 1.950 177.860 176.300 -0.651 0.000 0.988 189 R CA -0.070 55.703 56.100 -0.546 0.000 1.041 189 R CB -0.083 29.853 30.300 -0.607 0.000 0.926 189 R HN 0.429 nan 8.270 nan 0.000 0.476 190 I N 0.883 121.250 120.570 -0.338 0.000 2.567 190 I HA -0.248 3.927 4.170 0.008 0.000 0.257 190 I C 1.240 177.290 176.117 -0.112 0.000 1.184 190 I CA 1.241 62.513 61.300 -0.047 0.000 1.451 190 I CB 0.209 38.266 38.000 0.095 0.000 1.089 190 I HN 0.203 nan 8.210 nan 0.000 0.441 191 Q N 0.374 120.048 119.800 -0.210 0.000 2.403 191 Q HA -0.097 4.248 4.340 0.008 0.000 0.203 191 Q C 1.626 177.228 176.000 -0.663 0.000 0.932 191 Q CA 0.366 56.033 55.803 -0.225 0.000 0.945 191 Q CB -0.206 28.582 28.738 0.082 0.000 1.045 191 Q HN 0.774 nan 8.270 nan 0.000 0.511 192 W N -0.001 120.618 121.300 -1.135 0.000 2.331 192 W HA -0.118 4.548 4.660 0.010 0.000 0.291 192 W C 1.174 177.404 176.519 -0.483 0.000 1.214 192 W CA 1.211 57.731 57.345 -1.376 0.000 1.228 192 W CB -1.234 27.625 29.460 -1.001 0.000 1.135 192 W HN 0.093 nan 8.180 nan 0.000 0.537 193 G N 1.086 109.188 108.800 -1.163 0.000 2.650 193 G HA2 -0.122 3.843 3.960 0.008 0.000 0.214 193 G HA3 -0.122 3.843 3.960 0.008 0.000 0.214 193 G C 0.787 175.457 174.900 -0.384 0.000 1.136 193 G CA -0.125 44.360 45.100 -1.024 0.000 0.789 193 G HN 0.095 nan 8.290 nan 0.000 0.536 194 K N 0.463 120.740 120.400 -0.205 0.000 2.357 194 K HA 0.450 4.775 4.320 0.008 0.000 0.251 194 K C -1.734 174.975 176.600 0.182 0.000 1.069 194 K CA -0.578 55.709 56.287 0.000 0.000 0.994 194 K CB 0.759 33.285 32.500 0.043 0.000 1.411 194 K HN 0.121 nan 8.250 nan 0.000 0.450 195 L N 2.995 124.307 121.223 0.149 0.000 2.470 195 L HA 0.283 4.628 4.340 0.008 0.000 0.268 195 L C -1.180 175.692 176.870 0.004 0.000 0.964 195 L CA -0.462 54.486 54.840 0.178 0.000 0.839 195 L CB 1.968 44.209 42.059 0.304 0.000 1.276 195 L HN 0.343 nan 8.230 nan 0.000 0.403 196 Q N 3.098 122.845 119.800 -0.089 0.000 2.314 196 Q HA 0.516 4.861 4.340 0.008 0.000 0.257 196 Q C -1.508 174.156 176.000 -0.560 0.000 0.975 196 Q CA -0.004 55.567 55.803 -0.386 0.000 0.933 196 Q CB 1.209 29.625 28.738 -0.536 0.000 1.195 196 Q HN 0.523 nan 8.270 nan 0.000 0.426 197 V N 6.630 126.234 119.914 -0.516 0.000 2.311 197 V HA 0.364 4.488 4.120 0.008 0.000 0.275 197 V C -0.788 175.017 176.094 -0.482 0.000 1.022 197 V CA -0.523 61.550 62.300 -0.379 0.000 0.830 197 V CB 0.087 31.794 31.823 -0.194 0.000 1.012 197 V HN 0.634 nan 8.190 nan 0.000 0.452 198 F N 2.781 122.608 119.950 -0.206 0.000 2.411 198 F HA 0.382 4.911 4.527 0.003 0.000 0.355 198 F C 0.657 176.287 175.800 -0.283 0.000 1.117 198 F CA -0.727 57.139 58.000 -0.223 0.000 1.139 198 F CB 0.717 39.590 39.000 -0.212 0.000 1.120 198 F HN 0.384 nan 8.300 nan 0.000 0.493 199 D N 2.435 122.782 120.400 -0.089 0.000 2.350 199 D HA 0.494 5.138 4.640 0.008 0.000 0.249 199 D C -0.092 175.993 176.300 -0.358 0.000 1.119 199 D CA 0.129 53.998 54.000 -0.220 0.000 0.886 199 D CB 1.497 42.208 40.800 -0.149 0.000 1.195 199 D HN 0.662 nan 8.370 nan 0.000 0.437 200 A N 4.068 126.534 122.820 -0.589 0.000 2.579 200 A HA 0.142 4.467 4.320 0.008 0.000 0.254 200 A C 1.125 178.371 177.584 -0.564 0.000 0.873 200 A CA -0.380 51.082 52.037 -0.959 0.000 1.106 200 A CB 0.108 17.950 19.000 -1.930 0.000 1.222 200 A HN 0.558 nan 8.150 nan 0.000 0.470 201 R N 0.642 120.950 120.500 -0.320 0.000 2.323 201 R HA -0.031 4.313 4.340 0.008 0.000 0.198 201 R C 0.725 176.970 176.300 -0.091 0.000 0.988 201 R CA 1.094 57.094 56.100 -0.167 0.000 1.041 201 R CB 0.067 30.314 30.300 -0.089 0.000 0.926 201 R HN 0.648 nan 8.270 nan 0.000 0.476 202 D N -0.610 119.748 120.400 -0.071 0.000 2.354 202 D HA -0.069 4.576 4.640 0.008 0.000 0.209 202 D C 0.535 176.894 176.300 0.097 0.000 1.015 202 D CA -0.237 53.779 54.000 0.027 0.000 0.867 202 D CB -0.493 40.344 40.800 0.061 0.000 0.933 202 D HN -0.019 nan 8.370 nan 0.000 0.520 203 C N 1.497 120.846 119.300 0.081 0.000 2.611 203 C HA 0.346 4.810 4.460 0.008 0.000 0.416 203 C C 1.689 176.846 174.990 0.278 0.000 1.366 203 C CA 0.828 59.979 59.018 0.222 0.000 1.761 203 C CB -0.534 27.341 27.740 0.226 0.000 2.619 203 C HN 0.503 nan 8.230 nan 0.000 0.606 204 S N 2.373 118.275 115.700 0.337 0.000 2.817 204 S HA 0.263 4.737 4.470 0.008 0.000 0.262 204 S C 0.029 174.790 174.600 0.269 0.000 1.051 204 S CA 0.433 58.838 58.200 0.341 0.000 1.185 204 S CB -0.175 63.149 63.200 0.207 0.000 1.152 204 S HN 1.305 nan 8.310 nan 0.000 0.653 205 S N -0.198 115.659 115.700 0.261 0.000 2.627 205 S HA 0.837 5.311 4.470 0.008 0.000 0.283 205 S C 1.000 175.705 174.600 0.174 0.000 1.127 205 S CA -0.209 58.093 58.200 0.170 0.000 0.863 205 S CB 1.076 64.351 63.200 0.126 0.000 1.121 205 S HN 0.653 nan 8.310 nan 0.000 0.479 206 A N 0.725 123.616 122.820 0.118 0.000 1.969 206 A HA -0.056 4.268 4.320 0.008 0.000 0.218 206 A C 2.131 179.737 177.584 0.037 0.000 1.169 206 A CA 2.099 54.204 52.037 0.114 0.000 0.635 206 A CB -1.226 17.879 19.000 0.175 0.000 0.810 206 A HN 0.923 nan 8.150 nan 0.000 0.445 207 Q N 0.505 120.384 119.800 0.131 0.000 2.061 207 Q HA -0.226 4.119 4.340 0.008 0.000 0.204 207 Q C 1.880 177.866 176.000 -0.024 0.000 0.984 207 Q CA 2.515 58.342 55.803 0.040 0.000 0.846 207 Q CB -0.492 28.346 28.738 0.167 0.000 0.902 207 Q HN 0.738 nan 8.270 nan 0.000 0.421 208 E N -0.841 119.397 120.200 0.064 0.000 2.110 208 E HA -0.176 4.179 4.350 0.008 0.000 0.193 208 E C 1.947 178.660 176.600 0.188 0.000 0.988 208 E CA 1.240 57.699 56.400 0.099 0.000 0.804 208 E CB -0.124 29.681 29.700 0.176 0.000 0.745 208 E HN 0.496 nan 8.360 nan 0.000 0.458 209 M N -0.146 119.543 119.600 0.149 0.000 2.108 209 M HA -0.157 4.328 4.480 0.008 0.000 0.261 209 M C 2.128 178.463 176.300 0.057 0.000 1.066 209 M CA 1.271 56.615 55.300 0.074 0.000 1.107 209 M CB -0.358 32.107 32.600 -0.225 0.000 1.356 209 M HN 0.198 nan 8.290 nan 0.000 0.406 210 F N 1.297 121.042 119.950 -0.341 0.000 2.102 210 F HA -0.191 4.342 4.527 0.010 0.000 0.298 210 F C 2.334 178.003 175.800 -0.219 0.000 1.105 210 F CA 1.914 59.633 58.000 -0.468 0.000 1.239 210 F CB -0.921 37.429 39.000 -1.083 0.000 0.991 210 F HN 0.033 nan 8.300 nan 0.000 0.474 211 T N -0.078 114.284 114.554 -0.321 0.000 2.607 211 T HA -0.286 4.069 4.350 0.008 0.000 0.267 211 T C 1.751 176.267 174.700 -0.308 0.000 1.049 211 T CA 2.171 64.043 62.100 -0.380 0.000 1.162 211 T CB -0.887 67.811 68.868 -0.283 0.000 0.863 211 T HN 0.301 nan 8.240 nan 0.000 0.424 212 Y N 0.944 121.180 120.300 -0.105 0.000 2.151 212 Y HA -0.104 4.450 4.550 0.006 0.000 0.284 212 Y C 2.247 178.098 175.900 -0.082 0.000 1.166 212 Y CA 0.743 58.803 58.100 -0.067 0.000 1.163 212 Y CB -0.617 37.905 38.460 0.103 0.000 0.974 212 Y HN 0.233 nan 8.280 nan 0.000 0.511 213 I N -1.827 118.805 120.570 0.103 0.000 2.252 213 I HA -0.334 3.841 4.170 0.008 0.000 0.245 213 I C 2.386 178.448 176.117 -0.093 0.000 1.102 213 I CA 0.898 62.209 61.300 0.019 0.000 1.385 213 I CB -0.514 37.494 38.000 0.014 0.000 1.064 213 I HN 0.251 nan 8.210 nan 0.000 0.414 214 C N 0.872 120.000 119.300 -0.287 0.000 2.413 214 C HA -0.166 4.299 4.460 0.008 0.000 0.277 214 C C 2.645 177.532 174.990 -0.171 0.000 1.228 214 C CA 1.052 59.889 59.018 -0.301 0.000 1.731 214 C CB -1.452 25.968 27.740 -0.533 0.000 2.042 214 C HN 0.549 nan 8.230 nan 0.000 0.468 215 N N 0.070 118.650 118.700 -0.199 0.000 2.091 215 N HA -0.191 4.554 4.740 0.008 0.000 0.193 215 N C 1.390 176.803 175.510 -0.161 0.000 1.021 215 N CA 1.892 54.823 53.050 -0.198 0.000 0.862 215 N CB -0.912 37.401 38.487 -0.289 0.000 1.018 215 N HN 0.774 nan 8.380 nan 0.000 0.429 216 H N 0.092 119.023 119.070 -0.230 0.000 2.293 216 H HA 0.049 4.611 4.556 0.010 0.000 0.300 216 H C 2.083 177.432 175.328 0.035 0.000 1.082 216 H CA 1.629 57.601 56.048 -0.127 0.000 1.308 216 H CB -0.135 29.599 29.762 -0.046 0.000 1.375 216 H HN 0.122 nan 8.280 nan 0.000 0.495 217 I N 0.584 121.300 120.570 0.243 0.000 2.226 217 I HA -0.265 3.909 4.170 0.008 0.000 0.245 217 I C 2.560 178.747 176.117 0.117 0.000 1.100 217 I CA 1.269 62.677 61.300 0.180 0.000 1.374 217 I CB -0.251 37.788 38.000 0.065 0.000 1.057 217 I HN 0.297 nan 8.210 nan 0.000 0.413 218 K N 0.003 120.440 120.400 0.061 0.000 2.020 218 K HA -0.272 4.053 4.320 0.008 0.000 0.212 218 K C 2.281 178.926 176.600 0.074 0.000 1.050 218 K CA 2.170 58.481 56.287 0.040 0.000 0.929 218 K CB -0.453 32.047 32.500 0.000 0.000 0.714 218 K HN 0.268 nan 8.250 nan 0.000 0.443 219 Y N 0.853 121.145 120.300 -0.014 0.000 2.145 219 Y HA -0.243 4.309 4.550 0.002 0.000 0.286 219 Y C 2.097 178.042 175.900 0.074 0.000 1.145 219 Y CA 1.712 59.834 58.100 0.036 0.000 1.148 219 Y CB -0.241 38.263 38.460 0.073 0.000 0.981 219 Y HN 0.088 nan 8.280 nan 0.000 0.507 220 A N -1.127 121.815 122.820 0.203 0.000 1.968 220 A HA -0.104 4.221 4.320 0.008 0.000 0.217 220 A C 2.164 179.804 177.584 0.093 0.000 1.169 220 A CA 1.970 54.102 52.037 0.158 0.000 0.638 220 A CB -1.088 18.049 19.000 0.228 0.000 0.812 220 A HN 0.497 nan 8.150 nan 0.000 0.446 221 T N -0.254 114.351 114.554 0.086 0.000 2.851 221 T HA -0.055 4.299 4.350 0.008 0.000 0.262 221 T C 1.072 175.785 174.700 0.022 0.000 1.043 221 T CA 1.017 63.166 62.100 0.081 0.000 1.140 221 T CB -0.342 68.573 68.868 0.079 0.000 0.872 221 T HN 0.611 nan 8.240 nan 0.000 0.446 222 N N 1.372 120.055 118.700 -0.029 0.000 2.708 222 N HA -0.261 4.484 4.740 0.008 0.000 0.251 222 N C -0.292 175.194 175.510 -0.040 0.000 1.017 222 N CA 0.502 53.508 53.050 -0.073 0.000 0.742 222 N CB -1.253 37.146 38.487 -0.147 0.000 0.943 222 N HN 0.465 nan 8.380 nan 0.000 0.539 223 R N -2.504 117.986 120.500 -0.017 0.000 3.525 223 R HA -0.208 4.137 4.340 0.008 0.000 0.276 223 R C 1.237 177.528 176.300 -0.015 0.000 1.116 223 R CA 1.150 57.242 56.100 -0.014 0.000 0.745 223 R CB -1.970 28.317 30.300 -0.022 0.000 1.185 223 R HN 0.981 nan 8.270 nan 0.000 0.454 224 G N -0.214 108.587 108.800 0.002 0.000 2.259 224 G HA2 -0.324 3.641 3.960 0.008 0.000 0.217 224 G HA3 -0.324 3.641 3.960 0.008 0.000 0.217 224 G C 0.017 174.917 174.900 -0.001 0.000 1.001 224 G CA 0.088 45.191 45.100 0.006 0.000 0.627 224 G HN 0.378 nan 8.290 nan 0.000 0.501 225 N N 1.563 120.247 118.700 -0.026 0.000 3.124 225 N HA 0.442 5.186 4.740 0.008 0.000 0.284 225 N C 0.459 175.948 175.510 -0.035 0.000 1.209 225 N CA -0.414 52.602 53.050 -0.056 0.000 1.149 225 N CB -0.389 38.058 38.487 -0.066 0.000 1.434 225 N HN 0.236 nan 8.380 nan 0.000 0.529 226 L N 1.687 122.920 121.223 0.017 0.000 2.529 226 L HA 0.097 4.442 4.340 0.008 0.000 0.287 226 L C 0.770 177.786 176.870 0.242 0.000 1.241 226 L CA 0.968 55.904 54.840 0.161 0.000 0.857 226 L CB 0.169 42.425 42.059 0.329 0.000 1.113 226 L HN 0.355 nan 8.230 nan 0.000 0.504 227 R N 1.365 122.005 120.500 0.234 0.000 2.532 227 R HA 0.382 4.726 4.340 0.008 0.000 0.297 227 R C -0.582 175.882 176.300 0.273 0.000 0.984 227 R CA -0.673 55.582 56.100 0.257 0.000 0.884 227 R CB 1.603 31.927 30.300 0.040 0.000 1.182 227 R HN 0.559 nan 8.270 nan 0.000 0.442 228 S N 1.699 117.552 115.700 0.255 0.000 2.563 228 S HA 0.293 4.767 4.470 0.008 0.000 0.294 228 S C -0.167 174.492 174.600 0.099 0.000 1.279 228 S CA 0.099 58.346 58.200 0.078 0.000 1.069 228 S CB 0.739 63.960 63.200 0.034 0.000 0.828 228 S HN 0.682 nan 8.310 nan 0.000 0.497 229 A N 3.241 126.087 122.820 0.043 0.000 2.606 229 A HA 0.850 5.175 4.320 0.008 0.000 0.293 229 A C -1.121 176.532 177.584 0.114 0.000 1.082 229 A CA -0.669 51.360 52.037 -0.013 0.000 0.685 229 A CB 1.262 20.215 19.000 -0.079 0.000 1.284 229 A HN 0.773 nan 8.150 nan 0.000 0.408 230 I N 0.024 120.665 120.570 0.119 0.000 2.894 230 I HA 0.692 4.866 4.170 0.008 0.000 0.302 230 I C -1.336 174.920 176.117 0.233 0.000 1.188 230 I CA -0.280 61.191 61.300 0.286 0.000 1.014 230 I CB 2.548 40.666 38.000 0.196 0.000 1.242 230 I HN 0.612 nan 8.210 nan 0.000 0.430 231 T N 5.493 120.172 114.554 0.209 0.000 2.890 231 T HA 0.404 4.759 4.350 0.008 0.000 0.295 231 T C -0.887 173.610 174.700 -0.338 0.000 0.993 231 T CA -0.328 61.750 62.100 -0.037 0.000 0.979 231 T CB 1.501 70.383 68.868 0.024 0.000 0.967 231 T HN 0.247 nan 8.240 nan 0.000 0.441 232 V N 5.099 124.734 119.914 -0.466 0.000 2.348 232 V HA 0.463 4.588 4.120 0.008 0.000 0.270 232 V C -0.222 175.484 176.094 -0.648 0.000 1.037 232 V CA -0.722 61.284 62.300 -0.490 0.000 0.872 232 V CB -0.223 31.252 31.823 -0.580 0.000 1.002 232 V HN 0.707 nan 8.190 nan 0.000 0.464 233 F N 5.674 125.481 119.950 -0.237 0.000 2.368 233 F HA 0.479 5.012 4.527 0.010 0.000 0.308 233 F C -1.803 173.878 175.800 -0.199 0.000 1.198 233 F CA -2.295 55.488 58.000 -0.361 0.000 1.130 233 F CB 0.155 38.894 39.000 -0.435 0.000 1.300 233 F HN 0.290 nan 8.300 nan 0.000 0.537 234 P HA 0.071 nan 4.420 nan 0.000 0.271 234 P C -1.141 176.286 177.300 0.212 0.000 1.216 234 P CA -0.448 62.676 63.100 0.040 0.000 0.776 234 P CB 0.367 32.060 31.700 -0.012 0.000 0.881 235 Q N 2.759 122.631 119.800 0.121 0.000 2.443 235 Q HA 0.196 4.541 4.340 0.008 0.000 0.232 235 Q C -0.047 175.913 176.000 -0.067 0.000 1.026 235 Q CA -0.542 55.116 55.803 -0.242 0.000 0.924 235 Q CB 0.599 28.902 28.738 -0.726 0.000 1.256 235 Q HN 0.308 nan 8.270 nan 0.000 0.519 236 R N 0.079 120.506 120.500 -0.122 0.000 2.523 236 R HA 0.095 4.439 4.340 0.008 0.000 0.281 236 R C -0.729 175.538 176.300 -0.054 0.000 0.969 236 R CA 0.833 56.899 56.100 -0.056 0.000 1.093 236 R CB 0.164 30.414 30.300 -0.083 0.000 0.917 236 R HN 0.704 nan 8.270 nan 0.000 0.408 237 A N 5.756 128.574 122.820 -0.004 0.000 2.374 237 A HA 0.560 4.884 4.320 0.008 0.000 0.317 237 A C -2.309 175.274 177.584 -0.002 0.000 1.094 237 A CA -1.662 50.376 52.037 0.001 0.000 0.765 237 A CB 1.321 20.346 19.000 0.040 0.000 1.268 237 A HN 0.497 nan 8.150 nan 0.000 0.438 238 P HA 0.283 nan 4.420 nan 0.000 0.271 238 P C 0.720 178.024 177.300 0.007 0.000 1.233 238 P CA 1.343 64.442 63.100 -0.001 0.000 0.764 238 P CB 0.621 32.321 31.700 -0.001 0.000 0.825 239 G N 2.329 111.132 108.800 0.005 0.000 2.176 239 G HA2 -0.232 3.733 3.960 0.008 0.000 0.252 239 G HA3 -0.232 3.733 3.960 0.008 0.000 0.252 239 G C 0.132 175.037 174.900 0.009 0.000 1.024 239 G CA -0.249 44.856 45.100 0.007 0.000 0.755 239 G HN 0.770 nan 8.290 nan 0.000 0.507 240 R N -0.200 120.305 120.500 0.009 0.000 2.673 240 R HA 0.589 4.934 4.340 0.008 0.000 0.281 240 R C 0.757 177.055 176.300 -0.003 0.000 0.991 240 R CA 0.062 56.166 56.100 0.006 0.000 0.896 240 R CB 1.298 31.611 30.300 0.023 0.000 1.201 240 R HN 0.445 nan 8.270 nan 0.000 0.457 241 G N 1.372 110.159 108.800 -0.022 0.000 2.651 241 G HA2 0.079 4.044 3.960 0.008 0.000 0.260 241 G HA3 0.079 4.044 3.960 0.008 0.000 0.260 241 G C -0.478 174.400 174.900 -0.037 0.000 1.216 241 G CA -0.301 44.783 45.100 -0.027 0.000 0.913 241 G HN 0.529 nan 8.290 nan 0.000 0.535 242 D N -0.785 119.605 120.400 -0.016 0.000 2.283 242 D HA 0.319 4.963 4.640 0.008 0.000 0.248 242 D C -0.172 176.115 176.300 -0.022 0.000 1.072 242 D CA 0.013 54.029 54.000 0.028 0.000 0.929 242 D CB 0.992 41.823 40.800 0.051 0.000 1.182 242 D HN 0.084 nan 8.370 nan 0.000 0.433 243 F N 1.434 121.409 119.950 0.042 0.000 2.443 243 F HA 0.277 4.809 4.527 0.009 0.000 0.353 243 F C 1.096 176.917 175.800 0.035 0.000 1.101 243 F CA 0.225 58.237 58.000 0.019 0.000 1.226 243 F CB 0.597 39.608 39.000 0.018 0.000 1.140 243 F HN -0.189 nan 8.300 nan 0.000 0.557 244 R N 3.831 124.450 120.500 0.197 0.000 2.584 244 R HA 0.454 4.799 4.340 0.008 0.000 0.276 244 R C -1.299 175.130 176.300 0.214 0.000 1.046 244 R CA -0.813 55.408 56.100 0.201 0.000 0.906 244 R CB 1.957 32.402 30.300 0.242 0.000 1.215 244 R HN 0.617 nan 8.270 nan 0.000 0.449 245 I N 2.576 123.248 120.570 0.171 0.000 2.307 245 I HA 0.149 4.324 4.170 0.008 0.000 0.289 245 I C 0.641 176.929 176.117 0.285 0.000 1.021 245 I CA -0.468 60.935 61.300 0.171 0.000 1.224 245 I CB 0.898 38.938 38.000 0.066 0.000 1.376 245 I HN 0.511 nan 8.210 nan 0.000 0.470 246 W N 3.560 124.884 121.300 0.040 0.000 2.342 246 W HA -0.137 4.528 4.660 0.007 0.000 0.297 246 W C 1.012 177.625 176.519 0.156 0.000 1.213 246 W CA 0.324 57.756 57.345 0.145 0.000 1.251 246 W CB -0.926 28.625 29.460 0.152 0.000 1.136 246 W HN 0.416 nan 8.180 nan 0.000 0.526 247 N N 0.182 119.040 118.700 0.264 0.000 2.454 247 N HA 0.001 4.746 4.740 0.008 0.000 0.254 247 N C 1.340 176.900 175.510 0.085 0.000 1.228 247 N CA 0.881 54.014 53.050 0.138 0.000 0.900 247 N CB 0.749 39.254 38.487 0.030 0.000 1.089 247 N HN -0.058 nan 8.380 nan 0.000 0.449 248 S N 1.295 117.044 115.700 0.081 0.000 2.406 248 S HA -0.071 4.403 4.470 0.008 0.000 0.228 248 S C 0.415 174.998 174.600 -0.028 0.000 1.020 248 S CA 0.754 58.976 58.200 0.037 0.000 0.965 248 S CB 0.073 63.326 63.200 0.089 0.000 0.798 248 S HN 0.656 nan 8.310 nan 0.000 0.488 249 Q N -0.711 119.066 119.800 -0.038 0.000 2.451 249 Q HA 0.522 4.867 4.340 0.008 0.000 0.281 249 Q C 0.329 176.241 176.000 -0.146 0.000 1.099 249 Q CA -0.562 55.179 55.803 -0.103 0.000 0.806 249 Q CB 1.985 30.690 28.738 -0.054 0.000 1.419 249 Q HN 0.147 nan 8.270 nan 0.000 0.427 250 L N 0.204 121.316 121.223 -0.186 0.000 2.141 250 L HA 0.020 4.364 4.340 0.008 0.000 0.209 250 L C 0.284 177.006 176.870 -0.246 0.000 1.094 250 L CA 0.843 55.574 54.840 -0.183 0.000 0.763 250 L CB 0.244 42.193 42.059 -0.182 0.000 0.908 250 L HN 0.272 nan 8.230 nan 0.000 0.437 251 V N 0.609 120.291 119.914 -0.387 0.000 2.483 251 V HA 0.504 4.629 4.120 0.008 0.000 0.297 251 V C -0.294 175.255 176.094 -0.908 0.000 1.027 251 V CA -0.694 61.199 62.300 -0.679 0.000 0.855 251 V CB 1.845 33.123 31.823 -0.907 0.000 0.995 251 V HN 0.179 nan 8.190 nan 0.000 0.424 252 R N 2.611 122.691 120.500 -0.700 0.000 2.680 252 R HA 0.487 4.831 4.340 0.008 0.000 0.269 252 R C -1.900 174.144 176.300 -0.428 0.000 1.026 252 R CA -0.823 54.995 56.100 -0.471 0.000 0.889 252 R CB 2.464 32.661 30.300 -0.171 0.000 1.241 252 R HN 0.580 nan 8.270 nan 0.000 0.463 253 Y N 0.257 120.535 120.300 -0.036 0.000 2.335 253 Y HA 0.474 5.029 4.550 0.008 0.000 0.323 253 Y C 0.927 176.782 175.900 -0.074 0.000 1.224 253 Y CA -0.518 57.569 58.100 -0.021 0.000 1.241 253 Y CB 1.082 39.587 38.460 0.076 0.000 1.235 253 Y HN 0.683 nan 8.280 nan 0.000 0.492 254 A N 1.160 124.012 122.820 0.055 0.000 2.445 254 A HA 0.540 4.865 4.320 0.008 0.000 0.242 254 A C 0.530 177.885 177.584 -0.382 0.000 1.075 254 A CA 0.271 52.192 52.037 -0.193 0.000 0.777 254 A CB -0.338 18.511 19.000 -0.250 0.000 1.013 254 A HN 0.934 nan 8.150 nan 0.000 0.493 255 G N 0.817 109.400 108.800 -0.362 0.000 2.605 255 G HA2 0.538 4.503 3.960 0.008 0.000 0.304 255 G HA3 0.538 4.503 3.960 0.008 0.000 0.304 255 G C -1.168 173.586 174.900 -0.244 0.000 1.333 255 G CA -0.259 44.661 45.100 -0.299 0.000 0.973 255 G HN 0.499 nan 8.290 nan 0.000 0.507 256 Y N 1.406 121.719 120.300 0.022 0.000 2.367 256 Y HA 0.412 4.967 4.550 0.008 0.000 0.342 256 Y C 0.990 176.890 175.900 0.001 0.000 0.979 256 Y CA -1.277 56.834 58.100 0.018 0.000 1.161 256 Y CB 1.121 39.585 38.460 0.008 0.000 1.155 256 Y HN 0.554 nan 8.280 nan 0.000 0.503 257 R N 3.170 123.756 120.500 0.143 0.000 2.484 257 R HA 0.075 4.419 4.340 0.008 0.000 0.293 257 R C -0.281 176.062 176.300 0.072 0.000 1.023 257 R CA -0.124 56.024 56.100 0.080 0.000 1.037 257 R CB 0.401 30.737 30.300 0.059 0.000 0.951 257 R HN 0.614 nan 8.270 nan 0.000 0.418 258 Q N 2.462 122.292 119.800 0.050 0.000 2.180 258 Q HA 0.004 4.349 4.340 0.008 0.000 0.241 258 Q C 0.495 176.506 176.000 0.018 0.000 0.970 258 Q CA -0.352 55.471 55.803 0.034 0.000 0.919 258 Q CB 1.431 30.187 28.738 0.029 0.000 1.222 258 Q HN 0.684 nan 8.270 nan 0.000 0.482 259 Q N 0.908 120.713 119.800 0.007 0.000 2.112 259 Q HA -0.180 4.165 4.340 0.008 0.000 0.206 259 Q C 0.503 176.506 176.000 0.004 0.000 0.987 259 Q CA 2.188 57.991 55.803 0.001 0.000 0.858 259 Q CB 0.254 28.989 28.738 -0.006 0.000 0.905 259 Q HN 0.633 nan 8.270 nan 0.000 0.420 260 D N -2.740 117.663 120.400 0.006 0.000 2.395 260 D HA 0.131 4.775 4.640 0.008 0.000 0.226 260 D C 0.912 177.218 176.300 0.010 0.000 1.146 260 D CA 0.603 54.607 54.000 0.006 0.000 0.830 260 D CB 0.538 41.341 40.800 0.005 0.000 0.958 260 D HN 0.460 nan 8.370 nan 0.000 0.501 261 G N 1.539 110.347 108.800 0.013 0.000 2.347 261 G HA2 -0.383 3.582 3.960 0.008 0.000 0.247 261 G HA3 -0.383 3.582 3.960 0.008 0.000 0.247 261 G C 0.694 175.605 174.900 0.018 0.000 1.037 261 G CA 0.539 45.649 45.100 0.016 0.000 0.622 261 G HN 0.691 nan 8.290 nan 0.000 0.521 262 S N -0.460 115.250 115.700 0.016 0.000 2.598 262 S HA 0.564 5.039 4.470 0.008 0.000 0.256 262 S C 0.183 174.793 174.600 0.016 0.000 1.350 262 S CA 0.230 58.439 58.200 0.015 0.000 0.984 262 S CB 1.899 65.107 63.200 0.013 0.000 0.930 262 S HN 1.242 nan 8.310 nan 0.000 0.577 263 V N 1.189 121.105 119.914 0.003 0.000 2.540 263 V HA 0.535 4.659 4.120 0.008 0.000 0.302 263 V C 0.140 176.221 176.094 -0.022 0.000 1.035 263 V CA -0.841 61.455 62.300 -0.006 0.000 0.873 263 V CB 1.439 33.241 31.823 -0.036 0.000 0.992 263 V HN 0.931 nan 8.190 nan 0.000 0.428 264 R N 2.762 123.271 120.500 0.016 0.000 2.265 264 R HA 0.670 5.015 4.340 0.008 0.000 0.319 264 R C 0.593 176.847 176.300 -0.077 0.000 1.006 264 R CA 0.927 57.038 56.100 0.018 0.000 0.880 264 R CB 0.967 31.345 30.300 0.130 0.000 1.077 264 R HN 1.186 nan 8.270 nan 0.000 0.454 265 G N 2.946 111.633 108.800 -0.189 0.000 2.464 265 G HA2 -0.239 3.726 3.960 0.008 0.000 0.216 265 G HA3 -0.239 3.726 3.960 0.008 0.000 0.216 265 G C -1.367 173.195 174.900 -0.564 0.000 1.186 265 G CA -0.091 44.821 45.100 -0.313 0.000 1.010 265 G HN 0.633 nan 8.290 nan 0.000 0.585 266 D N 1.444 121.610 120.400 -0.390 0.000 2.329 266 D HA 0.589 5.234 4.640 0.008 0.000 0.232 266 D C -1.296 174.893 176.300 -0.184 0.000 1.088 266 D CA -1.975 51.795 54.000 -0.384 0.000 0.835 266 D CB 1.728 42.552 40.800 0.041 0.000 1.078 266 D HN -0.021 nan 8.370 nan 0.000 0.495 267 P HA -0.002 nan 4.420 nan 0.000 0.223 267 P C 0.984 178.296 177.300 0.019 0.000 1.151 267 P CA 0.668 63.732 63.100 -0.060 0.000 0.787 267 P CB 0.285 31.961 31.700 -0.040 0.000 0.788 268 A N 0.176 123.026 122.820 0.050 0.000 1.978 268 A HA -0.182 4.142 4.320 0.008 0.000 0.220 268 A C 1.607 179.255 177.584 0.106 0.000 1.170 268 A CA 1.650 53.755 52.037 0.113 0.000 0.636 268 A CB -1.006 18.088 19.000 0.157 0.000 0.810 268 A HN 0.173 nan 8.150 nan 0.000 0.448 269 N N -0.439 118.302 118.700 0.069 0.000 2.321 269 N HA 0.189 4.933 4.740 0.008 0.000 0.242 269 N C 0.915 176.438 175.510 0.021 0.000 1.141 269 N CA 0.069 53.152 53.050 0.055 0.000 0.864 269 N CB 0.779 39.291 38.487 0.041 0.000 1.100 269 N HN 0.194 nan 8.380 nan 0.000 0.510 270 V N 0.797 120.727 119.914 0.027 0.000 2.343 270 V HA -0.188 3.937 4.120 0.008 0.000 0.247 270 V C 2.305 178.414 176.094 0.025 0.000 1.051 270 V CA 1.664 63.977 62.300 0.021 0.000 1.036 270 V CB -0.088 31.752 31.823 0.029 0.000 0.654 270 V HN 0.357 nan 8.190 nan 0.000 0.451 271 E N -0.598 119.622 120.200 0.033 0.000 2.028 271 E HA -0.231 4.124 4.350 0.008 0.000 0.191 271 E C 2.155 178.685 176.600 -0.116 0.000 0.988 271 E CA 1.625 58.015 56.400 -0.018 0.000 0.799 271 E CB -0.162 29.574 29.700 0.060 0.000 0.755 271 E HN 0.494 nan 8.360 nan 0.000 0.447 272 I N 0.990 121.513 120.570 -0.078 0.000 2.286 272 I HA -0.229 3.946 4.170 0.008 0.000 0.248 272 I C 2.087 178.177 176.117 -0.045 0.000 1.115 272 I CA 1.440 62.675 61.300 -0.107 0.000 1.392 272 I CB -0.256 37.746 38.000 0.005 0.000 1.065 272 I HN 0.049 nan 8.210 nan 0.000 0.418 273 T N 0.082 114.637 114.554 0.002 0.000 2.652 273 T HA -0.215 4.139 4.350 0.008 0.000 0.267 273 T C 1.792 176.570 174.700 0.130 0.000 1.039 273 T CA 1.871 64.022 62.100 0.085 0.000 1.153 273 T CB -0.355 68.565 68.868 0.087 0.000 0.863 273 T HN 0.439 nan 8.240 nan 0.000 0.428 274 E N 0.581 120.821 120.200 0.067 0.000 2.118 274 E HA -0.079 4.276 4.350 0.008 0.000 0.195 274 E C 2.176 178.790 176.600 0.022 0.000 0.992 274 E CA 0.815 57.246 56.400 0.051 0.000 0.804 274 E CB -0.292 29.414 29.700 0.011 0.000 0.741 274 E HN 0.411 nan 8.360 nan 0.000 0.458 275 L N -0.000 121.201 121.223 -0.037 0.000 2.141 275 L HA -0.191 4.154 4.340 0.008 0.000 0.209 275 L C 2.422 179.368 176.870 0.126 0.000 1.094 275 L CA 0.513 55.351 54.840 -0.004 0.000 0.763 275 L CB -0.173 41.799 42.059 -0.145 0.000 0.908 275 L HN 0.325 nan 8.230 nan 0.000 0.437 276 C N -0.223 119.137 119.300 0.100 0.000 2.466 276 C HA -0.092 4.372 4.460 0.008 0.000 0.278 276 C C 2.670 177.807 174.990 0.244 0.000 1.288 276 C CA 0.283 59.383 59.018 0.136 0.000 1.722 276 C CB -0.501 27.270 27.740 0.053 0.000 2.017 276 C HN 0.424 nan 8.230 nan 0.000 0.488 277 I N 0.460 121.186 120.570 0.260 0.000 2.286 277 I HA -0.267 3.907 4.170 0.008 0.000 0.248 277 I C 2.720 178.876 176.117 0.065 0.000 1.115 277 I CA 1.472 62.880 61.300 0.180 0.000 1.392 277 I CB -0.591 37.483 38.000 0.123 0.000 1.065 277 I HN 0.452 nan 8.210 nan 0.000 0.418 278 Q N -0.081 119.731 119.800 0.019 0.000 2.135 278 Q HA -0.232 4.113 4.340 0.008 0.000 0.204 278 Q C 1.378 177.269 176.000 -0.182 0.000 0.981 278 Q CA 1.544 57.287 55.803 -0.099 0.000 0.856 278 Q CB -0.059 28.584 28.738 -0.159 0.000 0.902 278 Q HN 0.628 nan 8.270 nan 0.000 0.425 279 H N -2.157 116.895 119.070 -0.031 0.000 2.524 279 H HA 0.197 4.758 4.556 0.008 0.000 0.280 279 H C 0.699 175.993 175.328 -0.056 0.000 1.018 279 H CA 0.522 56.525 56.048 -0.075 0.000 1.165 279 H CB 0.785 30.457 29.762 -0.149 0.000 1.411 279 H HN 0.426 nan 8.280 nan 0.000 0.569 280 G N -0.474 108.365 108.800 0.066 0.000 2.192 280 G HA2 -0.241 3.724 3.960 0.008 0.000 0.193 280 G HA3 -0.241 3.724 3.960 0.008 0.000 0.193 280 G C -0.152 174.811 174.900 0.105 0.000 0.999 280 G CA -0.346 44.781 45.100 0.044 0.000 0.659 280 G HN 0.319 nan 8.290 nan 0.000 0.503 281 W N 2.885 124.159 121.300 -0.044 0.000 2.216 281 W HA 0.614 5.279 4.660 0.008 0.000 0.326 281 W C 0.322 176.827 176.519 -0.022 0.000 1.319 281 W CA 0.422 57.746 57.345 -0.035 0.000 1.213 281 W CB 0.701 30.151 29.460 -0.018 0.000 1.171 281 W HN 0.025 nan 8.180 nan 0.000 0.557 282 T N 9.751 124.017 114.554 -0.480 0.000 2.738 282 T HA 0.165 4.520 4.350 0.008 0.000 0.294 282 T C -2.036 171.880 174.700 -1.305 0.000 0.914 282 T CA -0.807 60.911 62.100 -0.636 0.000 1.052 282 T CB 0.270 68.929 68.868 -0.348 0.000 0.897 282 T HN 0.224 nan 8.240 nan 0.000 0.522 283 P HA 0.298 nan 4.420 nan 0.000 0.274 283 P C 0.531 177.384 177.300 -0.745 0.000 1.237 283 P CA -0.320 61.990 63.100 -1.316 0.000 0.793 283 P CB 0.875 32.185 31.700 -0.650 0.000 0.977 284 G N 1.019 109.554 108.800 -0.442 0.000 2.582 284 G HA2 0.141 4.106 3.960 0.008 0.000 0.232 284 G HA3 0.141 4.106 3.960 0.008 0.000 0.232 284 G C 0.222 174.892 174.900 -0.383 0.000 1.458 284 G CA -0.140 44.855 45.100 -0.176 0.000 1.062 284 G HN 0.592 nan 8.290 nan 0.000 0.566 285 N N -1.285 117.330 118.700 -0.141 0.000 2.261 285 N HA 0.201 4.946 4.740 0.008 0.000 0.241 285 N C 0.166 175.718 175.510 0.070 0.000 1.374 285 N CA 0.304 53.232 53.050 -0.203 0.000 0.802 285 N CB 0.659 39.042 38.487 -0.174 0.000 1.339 285 N HN 0.681 nan 8.380 nan 0.000 0.498 286 G N -0.545 108.416 108.800 0.268 0.000 2.932 286 G HA2 0.412 4.377 3.960 0.008 0.000 0.283 286 G HA3 0.412 4.377 3.960 0.008 0.000 0.283 286 G C 0.430 175.414 174.900 0.140 0.000 1.336 286 G CA -0.462 44.753 45.100 0.191 0.000 1.056 286 G HN 0.149 nan 8.290 nan 0.000 0.522 287 R N -1.262 119.204 120.500 -0.056 0.000 2.297 287 R HA 0.183 4.528 4.340 0.008 0.000 0.197 287 R C -0.190 175.575 176.300 -0.890 0.000 0.943 287 R CA 0.615 56.457 56.100 -0.429 0.000 1.038 287 R CB 0.107 30.041 30.300 -0.611 0.000 0.957 287 R HN 0.345 nan 8.270 nan 0.000 0.484 288 F N 0.182 120.076 119.950 -0.094 0.000 2.671 288 F HA 0.234 4.766 4.527 0.008 0.000 0.384 288 F C -0.648 175.162 175.800 0.018 0.000 1.351 288 F CA -1.222 56.484 58.000 -0.489 0.000 1.151 288 F CB 0.529 39.159 39.000 -0.616 0.000 1.147 288 F HN -0.252 nan 8.300 nan 0.000 0.513 289 D N 1.762 122.346 120.400 0.306 0.000 2.343 289 D HA 0.187 4.832 4.640 0.008 0.000 0.255 289 D C 0.271 176.818 176.300 0.413 0.000 1.187 289 D CA 0.257 54.493 54.000 0.394 0.000 0.875 289 D CB 2.123 43.207 40.800 0.474 0.000 1.136 289 D HN -0.108 nan 8.370 nan 0.000 0.469 290 V N 3.964 124.066 119.914 0.313 0.000 2.529 290 V HA 0.001 4.126 4.120 0.008 0.000 0.292 290 V C 1.085 177.137 176.094 -0.070 0.000 1.028 290 V CA -0.306 62.043 62.300 0.081 0.000 1.074 290 V CB 0.227 32.066 31.823 0.026 0.000 0.958 290 V HN 0.344 nan 8.190 nan 0.000 0.481 291 L N 7.988 129.076 121.223 -0.223 0.000 2.452 291 L HA 0.324 4.669 4.340 0.008 0.000 0.267 291 L C -1.646 174.936 176.870 -0.479 0.000 1.188 291 L CA -1.298 53.265 54.840 -0.462 0.000 0.821 291 L CB 0.931 42.781 42.059 -0.349 0.000 1.102 291 L HN 0.501 nan 8.230 nan 0.000 0.470 292 P HA 0.230 nan 4.420 nan 0.000 0.279 292 P C -1.169 175.948 177.300 -0.305 0.000 1.276 292 P CA -0.649 62.157 63.100 -0.490 0.000 0.801 292 P CB 1.004 32.283 31.700 -0.701 0.000 1.127 293 L N 0.960 122.081 121.223 -0.170 0.000 2.295 293 L HA 0.305 4.649 4.340 0.008 0.000 0.285 293 L C -0.085 176.730 176.870 -0.093 0.000 1.035 293 L CA -0.541 54.253 54.840 -0.077 0.000 0.806 293 L CB 0.319 42.398 42.059 0.034 0.000 1.214 293 L HN 0.222 nan 8.230 nan 0.000 0.426 294 L N 5.408 126.571 121.223 -0.101 0.000 2.262 294 L HA 0.482 4.826 4.340 0.008 0.000 0.288 294 L C -0.463 176.289 176.870 -0.196 0.000 1.035 294 L CA 0.045 54.742 54.840 -0.238 0.000 0.820 294 L CB 0.648 42.520 42.059 -0.311 0.000 1.204 294 L HN 0.382 nan 8.230 nan 0.000 0.424 295 L N 3.920 125.039 121.223 -0.173 0.000 2.346 295 L HA 0.573 4.917 4.340 0.008 0.000 0.276 295 L C -0.238 176.541 176.870 -0.152 0.000 1.006 295 L CA -0.590 54.203 54.840 -0.077 0.000 0.817 295 L CB 2.037 44.118 42.059 0.036 0.000 1.272 295 L HN 0.537 nan 8.230 nan 0.000 0.421 296 Q N 2.828 122.575 119.800 -0.088 0.000 2.347 296 Q HA 0.650 4.994 4.340 0.008 0.000 0.265 296 Q C -0.947 174.970 176.000 -0.137 0.000 1.024 296 Q CA -0.538 55.206 55.803 -0.099 0.000 0.731 296 Q CB 1.936 30.716 28.738 0.069 0.000 1.245 296 Q HN 0.777 nan 8.270 nan 0.000 0.472 297 A N 4.935 127.630 122.820 -0.208 0.000 2.366 297 A HA 0.510 4.834 4.320 0.008 0.000 0.249 297 A C -2.297 175.017 177.584 -0.451 0.000 1.084 297 A CA -1.284 50.481 52.037 -0.454 0.000 0.794 297 A CB -0.160 18.689 19.000 -0.252 0.000 1.034 297 A HN 0.660 nan 8.150 nan 0.000 0.491 298 P HA 0.058 nan 4.420 nan 0.000 0.260 298 P C -0.389 176.806 177.300 -0.175 0.000 1.172 298 P CA 0.960 63.848 63.100 -0.354 0.000 0.760 298 P CB 0.200 31.701 31.700 -0.330 0.000 0.773 299 D N -0.082 120.261 120.400 -0.096 0.000 3.046 299 D HA -0.181 4.463 4.640 0.008 0.000 0.210 299 D C 0.049 176.327 176.300 -0.035 0.000 1.124 299 D CA 1.366 55.339 54.000 -0.044 0.000 0.986 299 D CB -0.938 39.841 40.800 -0.035 0.000 1.118 299 D HN 0.545 nan 8.370 nan 0.000 0.416 300 E N -0.625 119.541 120.200 -0.057 0.000 2.232 300 E HA 0.682 5.036 4.350 0.008 0.000 0.264 300 E C 0.109 176.684 176.600 -0.041 0.000 0.973 300 E CA -0.647 55.724 56.400 -0.049 0.000 0.849 300 E CB 1.381 31.038 29.700 -0.072 0.000 1.198 300 E HN 0.145 nan 8.360 nan 0.000 0.407 301 A N 2.282 125.074 122.820 -0.047 0.000 2.466 301 A HA 0.264 4.589 4.320 0.008 0.000 0.238 301 A C -2.171 175.283 177.584 -0.216 0.000 1.074 301 A CA -0.937 51.052 52.037 -0.079 0.000 0.774 301 A CB -0.384 18.589 19.000 -0.045 0.000 1.015 301 A HN 0.287 nan 8.150 nan 0.000 0.498 302 P HA 0.250 nan 4.420 nan 0.000 0.276 302 P C -0.660 176.327 177.300 -0.522 0.000 1.230 302 P CA 0.005 62.707 63.100 -0.663 0.000 0.776 302 P CB 0.703 31.520 31.700 -1.472 0.000 0.888 303 E N 1.219 121.206 120.200 -0.355 0.000 2.214 303 E HA 0.408 4.762 4.350 0.008 0.000 0.274 303 E C -0.571 175.752 176.600 -0.460 0.000 0.977 303 E CA -1.036 55.143 56.400 -0.367 0.000 0.827 303 E CB 1.400 30.937 29.700 -0.271 0.000 1.130 303 E HN 0.333 nan 8.360 nan 0.000 0.394 304 L N 2.919 123.786 121.223 -0.592 0.000 2.289 304 L HA 0.463 4.807 4.340 0.008 0.000 0.285 304 L C -1.578 174.788 176.870 -0.840 0.000 1.049 304 L CA 0.003 54.532 54.840 -0.518 0.000 0.804 304 L CB 0.258 42.124 42.059 -0.322 0.000 1.195 304 L HN 0.395 nan 8.230 nan 0.000 0.428 305 F N 3.980 123.700 119.950 -0.382 0.000 2.561 305 F HA 0.509 5.041 4.527 0.009 0.000 0.313 305 F C -0.476 175.044 175.800 -0.468 0.000 1.126 305 F CA -0.896 56.743 58.000 -0.602 0.000 0.918 305 F CB 2.033 40.375 39.000 -1.097 0.000 1.199 305 F HN 0.060 nan 8.300 nan 0.000 0.444 306 V N 4.451 124.239 119.914 -0.209 0.000 2.407 306 V HA 0.304 4.429 4.120 0.008 0.000 0.278 306 V C 0.072 176.219 176.094 0.089 0.000 1.037 306 V CA -0.807 61.451 62.300 -0.070 0.000 0.900 306 V CB 1.144 32.970 31.823 0.005 0.000 0.983 306 V HN 0.525 nan 8.190 nan 0.000 0.459 307 L N 7.933 129.241 121.223 0.141 0.000 2.410 307 L HA 0.278 4.623 4.340 0.008 0.000 0.273 307 L C -1.836 175.127 176.870 0.155 0.000 1.144 307 L CA -1.342 53.633 54.840 0.226 0.000 0.863 307 L CB 0.217 42.346 42.059 0.118 0.000 1.140 307 L HN 0.443 nan 8.230 nan 0.000 0.463 308 P HA 0.066 nan 4.420 nan 0.000 0.264 308 P C -2.181 175.167 177.300 0.079 0.000 1.193 308 P CA -1.246 61.922 63.100 0.114 0.000 0.763 308 P CB 0.260 32.020 31.700 0.100 0.000 0.810 309 P HA -0.172 nan 4.420 nan 0.000 0.219 309 P C 1.370 178.700 177.300 0.049 0.000 1.146 309 P CA 1.300 64.439 63.100 0.065 0.000 0.808 309 P CB -0.100 31.643 31.700 0.071 0.000 0.779 310 E N -0.348 119.877 120.200 0.043 0.000 2.268 310 E HA -0.129 4.226 4.350 0.008 0.000 0.195 310 E C 1.544 178.159 176.600 0.025 0.000 0.995 310 E CA 0.962 57.380 56.400 0.030 0.000 0.836 310 E CB -1.012 28.702 29.700 0.025 0.000 0.763 310 E HN 0.246 nan 8.360 nan 0.000 0.491 311 L N 1.029 122.269 121.223 0.027 0.000 2.341 311 L HA 0.009 4.354 4.340 0.008 0.000 0.214 311 L C 0.806 177.691 176.870 0.025 0.000 1.115 311 L CA 0.616 55.467 54.840 0.019 0.000 0.820 311 L CB 0.337 42.401 42.059 0.008 0.000 0.944 311 L HN -0.101 nan 8.230 nan 0.000 0.452 312 V N 1.434 121.365 119.914 0.028 0.000 2.320 312 V HA 0.190 4.314 4.120 0.008 0.000 0.265 312 V C -0.046 176.077 176.094 0.048 0.000 1.048 312 V CA -0.757 61.559 62.300 0.027 0.000 0.865 312 V CB 0.901 32.728 31.823 0.007 0.000 1.043 312 V HN -0.020 nan 8.190 nan 0.000 0.474 313 L N 5.575 126.835 121.223 0.062 0.000 2.367 313 L HA 0.460 4.805 4.340 0.008 0.000 0.275 313 L C 0.191 177.105 176.870 0.073 0.000 1.129 313 L CA 0.826 55.697 54.840 0.051 0.000 0.839 313 L CB 0.504 42.589 42.059 0.042 0.000 1.133 313 L HN 0.664 nan 8.230 nan 0.000 0.453 314 E N 3.306 123.524 120.200 0.030 0.000 2.336 314 E HA 0.593 4.948 4.350 0.008 0.000 0.267 314 E C -1.515 175.031 176.600 -0.091 0.000 0.906 314 E CA -1.021 55.395 56.400 0.026 0.000 0.781 314 E CB 2.510 32.251 29.700 0.068 0.000 1.261 314 E HN 0.356 nan 8.360 nan 0.000 0.436 315 V N 2.597 122.421 119.914 -0.149 0.000 2.407 315 V HA 0.306 4.431 4.120 0.008 0.000 0.291 315 V C -2.458 173.560 176.094 -0.127 0.000 1.018 315 V CA -2.028 60.115 62.300 -0.261 0.000 0.842 315 V CB 1.342 32.748 31.823 -0.695 0.000 0.996 315 V HN 0.519 nan 8.190 nan 0.000 0.426 316 P HA 0.312 nan 4.420 nan 0.000 0.276 316 P C -0.614 176.680 177.300 -0.010 0.000 1.230 316 P CA -0.154 62.910 63.100 -0.061 0.000 0.776 316 P CB 0.675 32.349 31.700 -0.043 0.000 0.888 317 L N 3.721 124.974 121.223 0.049 0.000 2.292 317 L HA 0.454 4.799 4.340 0.008 0.000 0.284 317 L C 0.894 177.909 176.870 0.241 0.000 1.065 317 L CA -0.115 54.819 54.840 0.157 0.000 0.806 317 L CB 0.718 42.936 42.059 0.265 0.000 1.175 317 L HN 0.527 nan 8.230 nan 0.000 0.431 318 E N 1.537 121.842 120.200 0.176 0.000 2.413 318 E HA 0.386 4.741 4.350 0.008 0.000 0.277 318 E C -1.324 175.256 176.600 -0.033 0.000 0.958 318 E CA -0.948 55.563 56.400 0.186 0.000 0.779 318 E CB 1.985 31.771 29.700 0.143 0.000 1.278 318 E HN 0.439 nan 8.360 nan 0.000 0.456 319 H N 1.292 120.212 119.070 -0.250 0.000 2.472 319 H HA 0.221 4.782 4.556 0.008 0.000 0.335 319 H C -1.671 173.433 175.328 -0.373 0.000 1.136 319 H CA -2.214 53.559 56.048 -0.458 0.000 1.264 319 H CB 1.826 31.234 29.762 -0.591 0.000 1.486 319 H HN 0.429 nan 8.280 nan 0.000 0.517 320 P HA -0.087 nan 4.420 nan 0.000 0.221 320 P C 0.893 178.015 177.300 -0.298 0.000 1.150 320 P CA 1.505 64.110 63.100 -0.824 0.000 0.800 320 P CB 0.461 31.564 31.700 -0.994 0.000 0.787 321 T N -4.780 109.755 114.554 -0.032 0.000 3.048 321 T HA 0.202 4.556 4.350 0.008 0.000 0.254 321 T C 0.743 175.400 174.700 -0.072 0.000 0.942 321 T CA -0.229 61.865 62.100 -0.010 0.000 0.931 321 T CB -0.566 68.305 68.868 0.004 0.000 1.220 321 T HN -0.086 nan 8.240 nan 0.000 0.503 322 L N 2.603 123.722 121.223 -0.174 0.000 2.342 322 L HA 0.396 4.741 4.340 0.008 0.000 0.285 322 L C 1.308 177.795 176.870 -0.639 0.000 1.095 322 L CA -0.179 54.264 54.840 -0.662 0.000 0.843 322 L CB 0.681 41.981 42.059 -1.264 0.000 1.201 322 L HN 0.223 nan 8.230 nan 0.000 0.445 323 E N 3.645 123.603 120.200 -0.403 0.000 2.208 323 E HA -0.138 4.217 4.350 0.008 0.000 0.193 323 E C 1.465 178.025 176.600 -0.068 0.000 0.988 323 E CA 1.007 57.319 56.400 -0.146 0.000 0.828 323 E CB 0.129 29.820 29.700 -0.014 0.000 0.763 323 E HN 0.790 nan 8.360 nan 0.000 0.478 324 W N -0.524 120.830 121.300 0.090 0.000 2.800 324 W HA 0.005 4.670 4.660 0.008 0.000 0.249 324 W C 1.338 177.914 176.519 0.096 0.000 1.294 324 W CA -0.284 57.101 57.345 0.067 0.000 1.402 324 W CB -0.731 28.746 29.460 0.028 0.000 1.126 324 W HN -0.031 nan 8.180 nan 0.000 0.652 325 F N 3.127 122.920 119.950 -0.263 0.000 2.134 325 F HA -0.074 4.458 4.527 0.008 0.000 0.299 325 F C 2.659 178.500 175.800 0.068 0.000 1.097 325 F CA 2.745 60.685 58.000 -0.099 0.000 1.264 325 F CB -0.649 38.149 39.000 -0.337 0.000 1.001 325 F HN -0.093 nan 8.300 nan 0.000 0.479 326 A N -0.036 122.945 122.820 0.269 0.000 2.076 326 A HA -0.058 4.266 4.320 0.008 0.000 0.220 326 A C 2.235 179.889 177.584 0.117 0.000 1.160 326 A CA 1.462 53.612 52.037 0.190 0.000 0.653 326 A CB -1.372 17.707 19.000 0.132 0.000 0.801 326 A HN 0.438 nan 8.150 nan 0.000 0.455 327 A N -1.055 121.842 122.820 0.128 0.000 2.167 327 A HA 0.235 4.560 4.320 0.008 0.000 0.214 327 A C 1.584 179.205 177.584 0.062 0.000 1.151 327 A CA 0.731 52.828 52.037 0.101 0.000 0.735 327 A CB -0.253 18.825 19.000 0.131 0.000 0.802 327 A HN 0.345 nan 8.150 nan 0.000 0.467 328 L N -0.927 120.306 121.223 0.016 0.000 2.376 328 L HA 0.095 4.440 4.340 0.008 0.000 0.219 328 L C 1.943 178.819 176.870 0.011 0.000 1.133 328 L CA 1.251 56.071 54.840 -0.034 0.000 0.816 328 L CB -1.677 40.262 42.059 -0.199 0.000 0.933 328 L HN 0.629 nan 8.230 nan 0.000 0.449 329 G N -0.170 108.640 108.800 0.017 0.000 2.187 329 G HA2 -0.305 3.660 3.960 0.008 0.000 0.261 329 G HA3 -0.305 3.660 3.960 0.008 0.000 0.261 329 G C 0.517 175.389 174.900 -0.046 0.000 1.000 329 G CA 0.388 45.499 45.100 0.019 0.000 0.718 329 G HN 0.353 nan 8.290 nan 0.000 0.519 330 L N -0.227 120.955 121.223 -0.069 0.000 2.467 330 L HA 0.601 4.945 4.340 0.008 0.000 0.270 330 L C 1.190 177.837 176.870 -0.371 0.000 1.205 330 L CA 0.090 54.810 54.840 -0.200 0.000 0.828 330 L CB 0.514 42.565 42.059 -0.014 0.000 1.101 330 L HN 0.609 nan 8.230 nan 0.000 0.479 331 R N 1.588 121.678 120.500 -0.684 0.000 2.712 331 R HA 0.467 4.812 4.340 0.008 0.000 0.272 331 R C -2.141 174.119 176.300 -0.066 0.000 1.032 331 R CA -1.009 54.860 56.100 -0.386 0.000 0.874 331 R CB 1.570 31.588 30.300 -0.469 0.000 1.256 331 R HN 0.652 nan 8.270 nan 0.000 0.468 332 W N 1.614 122.871 121.300 -0.072 0.000 3.062 332 W HA 0.413 5.077 4.660 0.007 0.000 0.336 332 W C -1.222 175.396 176.519 0.165 0.000 1.224 332 W CA -1.002 56.401 57.345 0.096 0.000 1.159 332 W CB 2.190 31.626 29.460 -0.040 0.000 1.454 332 W HN 0.682 nan 8.180 nan 0.000 0.569 333 Y N 0.436 120.734 120.300 -0.003 0.000 2.335 333 Y HA 0.622 5.177 4.550 0.007 0.000 0.323 333 Y C 0.693 176.859 175.900 0.442 0.000 1.224 333 Y CA -0.246 57.907 58.100 0.089 0.000 1.241 333 Y CB 0.518 38.889 38.460 -0.150 0.000 1.235 333 Y HN 0.349 nan 8.280 nan 0.000 0.492 334 A N 2.053 125.166 122.820 0.488 0.000 2.016 334 A HA 0.074 4.399 4.320 0.008 0.000 0.217 334 A C 0.386 178.345 177.584 0.624 0.000 1.162 334 A CA 0.542 52.912 52.037 0.555 0.000 0.662 334 A CB -0.262 18.915 19.000 0.295 0.000 0.812 334 A HN 0.652 nan 8.150 nan 0.000 0.450 335 L N 1.680 123.248 121.223 0.575 0.000 2.295 335 L HA 0.435 4.780 4.340 0.008 0.000 0.281 335 L C -2.657 174.393 176.870 0.300 0.000 1.018 335 L CA -2.396 52.654 54.840 0.350 0.000 0.841 335 L CB 1.700 43.895 42.059 0.228 0.000 1.218 335 L HN -0.074 nan 8.230 nan 0.000 0.424 336 P HA 0.292 nan 4.420 nan 0.000 0.284 336 P C -1.238 175.978 177.300 -0.140 0.000 1.343 336 P CA -0.203 62.767 63.100 -0.217 0.000 0.826 336 P CB 1.086 32.252 31.700 -0.891 0.000 0.956 337 A N 4.684 127.436 122.820 -0.113 0.000 2.483 337 A HA 0.408 4.733 4.320 0.008 0.000 0.308 337 A C -0.106 177.251 177.584 -0.378 0.000 1.291 337 A CA -0.684 51.214 52.037 -0.232 0.000 0.774 337 A CB 0.640 19.537 19.000 -0.173 0.000 1.134 337 A HN 0.298 nan 8.150 nan 0.000 0.471 338 V N 2.694 122.192 119.914 -0.692 0.000 2.655 338 V HA 0.228 4.352 4.120 0.008 0.000 0.300 338 V C 1.305 176.981 176.094 -0.696 0.000 1.044 338 V CA 1.287 63.122 62.300 -0.774 0.000 1.095 338 V CB 1.251 32.367 31.823 -1.179 0.000 0.952 338 V HN 1.107 nan 8.190 nan 0.000 0.485 339 S N 1.533 117.016 115.700 -0.361 0.000 2.733 339 S HA 0.042 4.517 4.470 0.008 0.000 0.247 339 S C 0.810 175.352 174.600 -0.096 0.000 1.043 339 S CA 0.121 58.196 58.200 -0.208 0.000 1.066 339 S CB -0.348 62.769 63.200 -0.138 0.000 1.045 339 S HN 0.914 nan 8.310 nan 0.000 0.586 340 N N 0.429 119.065 118.700 -0.108 0.000 2.203 340 N HA 0.307 5.051 4.740 0.008 0.000 0.207 340 N C 0.147 175.607 175.510 -0.083 0.000 1.130 340 N CA -0.489 52.513 53.050 -0.081 0.000 0.861 340 N CB 0.104 38.530 38.487 -0.102 0.000 1.005 340 N HN 0.257 nan 8.380 nan 0.000 0.507 341 M N 1.351 120.950 119.600 -0.002 0.000 2.342 341 M HA 0.285 4.770 4.480 0.008 0.000 0.332 341 M C -0.501 175.909 176.300 0.184 0.000 1.166 341 M CA -0.859 54.504 55.300 0.104 0.000 1.086 341 M CB 2.310 35.058 32.600 0.246 0.000 1.541 341 M HN 0.153 nan 8.290 nan 0.000 0.462 342 L N 3.020 124.344 121.223 0.168 0.000 2.312 342 L HA 0.487 4.832 4.340 0.008 0.000 0.281 342 L C -1.221 175.796 176.870 0.245 0.000 1.070 342 L CA -0.733 54.208 54.840 0.169 0.000 0.805 342 L CB 0.987 43.090 42.059 0.074 0.000 1.174 342 L HN 0.601 nan 8.230 nan 0.000 0.434 343 L N 5.262 126.624 121.223 0.232 0.000 2.294 343 L HA 0.452 4.797 4.340 0.008 0.000 0.283 343 L C -0.617 176.299 176.870 0.078 0.000 1.015 343 L CA 0.095 55.004 54.840 0.115 0.000 0.831 343 L CB 1.125 43.266 42.059 0.137 0.000 1.217 343 L HN 0.631 nan 8.230 nan 0.000 0.420 344 E N 6.559 126.729 120.200 -0.050 0.000 2.134 344 E HA 0.399 4.754 4.350 0.008 0.000 0.278 344 E C -1.535 174.993 176.600 -0.121 0.000 0.959 344 E CA -0.368 55.995 56.400 -0.063 0.000 0.783 344 E CB 1.034 30.703 29.700 -0.052 0.000 1.095 344 E HN 0.743 nan 8.360 nan 0.000 0.399 345 I N 2.428 122.916 120.570 -0.136 0.000 2.499 345 I HA 0.247 4.421 4.170 0.008 0.000 0.288 345 I C 0.838 176.758 176.117 -0.328 0.000 1.048 345 I CA -0.804 60.301 61.300 -0.325 0.000 1.062 345 I CB 2.103 39.852 38.000 -0.419 0.000 1.238 345 I HN 0.774 nan 8.210 nan 0.000 0.426 346 G N 4.295 112.923 108.800 -0.285 0.000 2.450 346 G HA2 -0.138 3.827 3.960 0.008 0.000 0.302 346 G HA3 -0.138 3.827 3.960 0.008 0.000 0.302 346 G C 1.100 176.073 174.900 0.122 0.000 0.957 346 G CA 1.062 46.201 45.100 0.064 0.000 1.005 346 G HN 1.547 nan 8.290 nan 0.000 0.514 347 G N -1.910 106.907 108.800 0.029 0.000 2.234 347 G HA2 -0.289 3.676 3.960 0.008 0.000 0.260 347 G HA3 -0.289 3.676 3.960 0.008 0.000 0.260 347 G C 0.598 175.469 174.900 -0.048 0.000 0.987 347 G CA 0.545 45.658 45.100 0.022 0.000 0.625 347 G HN 1.215 nan 8.290 nan 0.000 0.532 348 L N 0.637 121.784 121.223 -0.128 0.000 2.417 348 L HA 0.520 4.864 4.340 0.008 0.000 0.268 348 L C 0.448 177.091 176.870 -0.379 0.000 1.158 348 L CA -0.094 54.550 54.840 -0.326 0.000 0.819 348 L CB 0.881 42.640 42.059 -0.499 0.000 1.112 348 L HN 0.197 nan 8.230 nan 0.000 0.458 349 E N 2.444 122.360 120.200 -0.475 0.000 2.155 349 E HA 0.323 4.678 4.350 0.008 0.000 0.264 349 E C -1.415 174.899 176.600 -0.478 0.000 0.886 349 E CA -0.326 55.872 56.400 -0.337 0.000 0.752 349 E CB 1.284 30.884 29.700 -0.168 0.000 1.133 349 E HN 0.265 nan 8.360 nan 0.000 0.414 350 F N 2.264 122.202 119.950 -0.020 0.000 2.309 350 F HA 0.092 4.624 4.527 0.010 0.000 0.366 350 F C 1.587 177.430 175.800 0.071 0.000 1.104 350 F CA -0.442 57.570 58.000 0.020 0.000 1.179 350 F CB 0.913 39.909 39.000 -0.006 0.000 1.437 350 F HN 0.437 nan 8.300 nan 0.000 0.528 351 S N 1.466 117.276 115.700 0.184 0.000 2.474 351 S HA 0.160 4.635 4.470 0.008 0.000 0.235 351 S C 0.822 175.537 174.600 0.192 0.000 0.997 351 S CA 0.366 58.655 58.200 0.149 0.000 0.949 351 S CB 0.032 63.295 63.200 0.106 0.000 0.766 351 S HN 0.493 nan 8.310 nan 0.000 0.517 352 A N 0.458 123.442 122.820 0.274 0.000 2.605 352 A HA 0.818 5.142 4.320 0.008 0.000 0.293 352 A C -0.221 177.599 177.584 0.393 0.000 1.216 352 A CA -0.159 52.051 52.037 0.288 0.000 0.742 352 A CB 0.816 19.958 19.000 0.237 0.000 1.170 352 A HN 0.952 nan 8.150 nan 0.000 0.443 353 A N 4.019 127.023 122.820 0.307 0.000 3.300 353 A HA 0.666 4.990 4.320 0.008 0.000 0.300 353 A C -3.017 174.720 177.584 0.255 0.000 1.099 353 A CA -1.076 51.116 52.037 0.258 0.000 0.846 353 A CB 0.452 19.602 19.000 0.251 0.000 1.255 353 A HN 0.481 nan 8.150 nan 0.000 0.519 354 P HA 0.426 nan 4.420 nan 0.000 0.268 354 P C -0.770 176.543 177.300 0.022 0.000 1.204 354 P CA 0.372 63.442 63.100 -0.049 0.000 0.768 354 P CB 0.304 31.921 31.700 -0.138 0.000 0.842 355 F N -0.092 119.799 119.950 -0.099 0.000 2.588 355 F HA 0.785 5.316 4.527 0.007 0.000 0.314 355 F C -0.581 175.141 175.800 -0.129 0.000 1.069 355 F CA -1.153 56.801 58.000 -0.078 0.000 0.931 355 F CB 1.664 40.528 39.000 -0.226 0.000 1.260 355 F HN 0.402 nan 8.300 nan 0.000 0.465 356 S N 0.532 116.315 115.700 0.138 0.000 2.588 356 S HA 0.980 5.455 4.470 0.008 0.000 0.275 356 S C -0.740 173.817 174.600 -0.070 0.000 1.130 356 S CA -0.173 58.041 58.200 0.023 0.000 0.855 356 S CB 1.555 64.863 63.200 0.180 0.000 1.116 356 S HN 1.519 nan 8.310 nan 0.000 0.472 357 G N -0.164 108.548 108.800 -0.146 0.000 3.198 357 G HA2 0.707 4.672 3.960 0.008 0.000 0.166 357 G HA3 0.707 4.672 3.960 0.008 0.000 0.166 357 G C -1.713 173.161 174.900 -0.044 0.000 1.134 357 G CA -0.344 44.594 45.100 -0.271 0.000 0.941 357 G HN 1.122 nan 8.290 nan 0.000 0.639 358 W N -1.288 120.014 121.300 0.004 0.000 2.962 358 W HA 0.822 5.485 4.660 0.006 0.000 0.341 358 W C -1.551 174.965 176.519 -0.004 0.000 1.155 358 W CA -2.186 55.178 57.345 0.031 0.000 1.165 358 W CB 0.457 29.979 29.460 0.103 0.000 1.435 358 W HN 0.411 nan 8.180 nan 0.000 0.546 359 Y N 2.657 123.133 120.300 0.293 0.000 2.397 359 Y HA 0.188 4.742 4.550 0.008 0.000 0.335 359 Y C 0.990 176.951 175.900 0.103 0.000 1.213 359 Y CA -0.336 57.819 58.100 0.093 0.000 1.391 359 Y CB 0.950 39.365 38.460 -0.075 0.000 1.293 359 Y HN 0.439 nan 8.280 nan 0.000 0.557 360 M N 2.369 122.113 119.600 0.239 0.000 2.216 360 M HA 0.152 4.637 4.480 0.008 0.000 0.356 360 M C 1.136 177.446 176.300 0.016 0.000 1.205 360 M CA -0.096 55.282 55.300 0.130 0.000 1.122 360 M CB 1.002 33.655 32.600 0.089 0.000 1.571 360 M HN 0.845 nan 8.290 nan 0.000 0.464 361 S N 1.114 116.785 115.700 -0.050 0.000 2.419 361 S HA -0.146 4.329 4.470 0.008 0.000 0.233 361 S C 1.544 176.027 174.600 -0.195 0.000 1.016 361 S CA 1.670 59.765 58.200 -0.176 0.000 0.974 361 S CB -1.138 61.992 63.200 -0.116 0.000 0.786 361 S HN 0.931 nan 8.310 nan 0.000 0.492 362 T N 0.479 114.945 114.554 -0.147 0.000 2.849 362 T HA -0.123 4.231 4.350 0.008 0.000 0.270 362 T C 1.537 176.097 174.700 -0.233 0.000 1.066 362 T CA 1.434 63.394 62.100 -0.234 0.000 1.130 362 T CB -0.656 68.027 68.868 -0.308 0.000 0.864 362 T HN 0.644 nan 8.240 nan 0.000 0.481 363 E N 1.040 121.125 120.200 -0.191 0.000 2.051 363 E HA -0.009 4.346 4.350 0.008 0.000 0.192 363 E C 2.183 178.554 176.600 -0.381 0.000 0.991 363 E CA 1.379 57.673 56.400 -0.176 0.000 0.799 363 E CB -0.331 29.401 29.700 0.054 0.000 0.748 363 E HN 0.562 nan 8.360 nan 0.000 0.449 364 I N 0.723 120.922 120.570 -0.619 0.000 2.162 364 I HA -0.114 4.060 4.170 0.008 0.000 0.238 364 I C 2.607 178.383 176.117 -0.569 0.000 1.076 364 I CA 1.240 61.991 61.300 -0.915 0.000 1.353 364 I CB -0.561 36.809 38.000 -1.050 0.000 1.063 364 I HN 0.136 nan 8.210 nan 0.000 0.408 365 G N -0.223 108.344 108.800 -0.388 0.000 2.422 365 G HA2 -0.132 3.833 3.960 0.008 0.000 0.218 365 G HA3 -0.132 3.833 3.960 0.008 0.000 0.218 365 G C 1.592 176.380 174.900 -0.187 0.000 1.140 365 G CA 1.337 46.297 45.100 -0.233 0.000 0.775 365 G HN 0.310 nan 8.290 nan 0.000 0.545 366 T N -0.152 114.270 114.554 -0.220 0.000 3.082 366 T HA 0.119 4.473 4.350 0.008 0.000 0.235 366 T C 2.493 177.086 174.700 -0.177 0.000 0.991 366 T CA 0.103 62.094 62.100 -0.183 0.000 1.220 366 T CB 0.093 68.837 68.868 -0.205 0.000 0.909 366 T HN -0.026 nan 8.240 nan 0.000 0.424 367 R N 2.190 122.569 120.500 -0.201 0.000 2.064 367 R HA 0.103 4.447 4.340 0.008 0.000 0.228 367 R C 2.184 178.384 176.300 -0.167 0.000 1.144 367 R CA 1.255 57.249 56.100 -0.177 0.000 0.932 367 R CB -1.275 28.928 30.300 -0.162 0.000 0.833 367 R HN 0.341 nan 8.270 nan 0.000 0.429 368 N N 0.974 119.541 118.700 -0.223 0.000 2.120 368 N HA -0.105 4.640 4.740 0.008 0.000 0.188 368 N C 1.961 177.444 175.510 -0.046 0.000 1.024 368 N CA 1.082 54.024 53.050 -0.179 0.000 0.852 368 N CB -0.308 37.812 38.487 -0.611 0.000 1.003 368 N HN 0.200 nan 8.380 nan 0.000 0.424 369 L N -0.734 120.394 121.223 -0.157 0.000 2.307 369 L HA 0.062 4.407 4.340 0.008 0.000 0.211 369 L C 1.341 178.242 176.870 0.052 0.000 1.099 369 L CA 0.472 55.301 54.840 -0.018 0.000 0.816 369 L CB 0.117 42.129 42.059 -0.077 0.000 0.952 369 L HN 0.190 nan 8.230 nan 0.000 0.455 370 C N -1.748 117.543 119.300 -0.016 0.000 3.019 370 C HA 0.168 4.633 4.460 0.008 0.000 0.295 370 C C 0.725 175.694 174.990 -0.035 0.000 1.256 370 C CA -0.925 58.089 59.018 -0.006 0.000 1.706 370 C CB -0.188 27.536 27.740 -0.026 0.000 2.153 370 C HN 0.300 nan 8.230 nan 0.000 0.618 371 D N 2.611 122.953 120.400 -0.096 0.000 2.506 371 D HA 0.053 4.698 4.640 0.008 0.000 0.234 371 D C -1.456 174.781 176.300 -0.105 0.000 1.143 371 D CA -0.947 52.948 54.000 -0.176 0.000 0.871 371 D CB 0.547 41.066 40.800 -0.469 0.000 1.190 371 D HN 0.152 nan 8.370 nan 0.000 0.459 372 P HA -0.112 nan 4.420 nan 0.000 0.220 372 P C 0.648 178.011 177.300 0.105 0.000 1.148 372 P CA 1.157 64.308 63.100 0.085 0.000 0.803 372 P CB 0.011 31.797 31.700 0.143 0.000 0.782 373 H N -2.783 116.300 119.070 0.021 0.000 2.505 373 H HA 0.369 4.930 4.556 0.008 0.000 0.289 373 H C 0.857 176.193 175.328 0.013 0.000 1.052 373 H CA -0.198 55.860 56.048 0.016 0.000 1.156 373 H CB 0.134 29.907 29.762 0.018 0.000 1.507 373 H HN -0.023 nan 8.280 nan 0.000 0.548 374 R N -0.185 120.223 120.500 -0.152 0.000 2.845 374 R HA 0.186 4.531 4.340 0.008 0.000 0.112 374 R C 1.169 177.420 176.300 -0.082 0.000 1.012 374 R CA -0.684 55.353 56.100 -0.105 0.000 0.744 374 R CB -0.746 29.517 30.300 -0.062 0.000 0.926 374 R HN 0.087 nan 8.270 nan 0.000 0.376 375 Y N 1.484 121.806 120.300 0.037 0.000 2.293 375 Y HA -0.061 4.493 4.550 0.008 0.000 0.291 375 Y C 0.862 176.786 175.900 0.040 0.000 1.137 375 Y CA 1.617 59.751 58.100 0.056 0.000 1.202 375 Y CB -0.085 38.445 38.460 0.116 0.000 0.990 375 Y HN 0.566 nan 8.280 nan 0.000 0.537 376 N N 0.489 119.287 118.700 0.163 0.000 2.756 376 N HA -0.207 4.537 4.740 0.008 0.000 0.248 376 N C 0.354 175.942 175.510 0.130 0.000 1.062 376 N CA 0.365 53.480 53.050 0.109 0.000 0.696 376 N CB -1.145 37.389 38.487 0.080 0.000 0.946 376 N HN 0.583 nan 8.380 nan 0.000 0.548 377 I N -3.129 117.527 120.570 0.144 0.000 3.793 377 I HA 0.056 4.231 4.170 0.008 0.000 0.315 377 I C 1.768 177.969 176.117 0.140 0.000 1.275 377 I CA -0.337 61.044 61.300 0.134 0.000 1.214 377 I CB 0.025 38.102 38.000 0.128 0.000 1.018 377 I HN 0.092 nan 8.210 nan 0.000 0.439 378 L N 1.429 122.746 121.223 0.157 0.000 2.042 378 L HA -0.182 4.163 4.340 0.008 0.000 0.210 378 L C 2.524 179.586 176.870 0.319 0.000 1.076 378 L CA 1.908 56.876 54.840 0.213 0.000 0.749 378 L CB -0.849 41.310 42.059 0.168 0.000 0.893 378 L HN 0.441 nan 8.230 nan 0.000 0.432 379 E N -1.034 119.335 120.200 0.280 0.000 2.046 379 E HA -0.193 4.162 4.350 0.008 0.000 0.190 379 E C 1.723 178.348 176.600 0.042 0.000 0.982 379 E CA 1.035 57.544 56.400 0.182 0.000 0.800 379 E CB 0.100 29.867 29.700 0.111 0.000 0.756 379 E HN 0.497 nan 8.360 nan 0.000 0.449 380 D N 0.192 120.617 120.400 0.042 0.000 2.116 380 D HA -0.165 4.480 4.640 0.008 0.000 0.193 380 D C 2.056 178.336 176.300 -0.033 0.000 0.998 380 D CA 1.026 55.018 54.000 -0.013 0.000 0.836 380 D CB -0.279 40.524 40.800 0.004 0.000 0.951 380 D HN 0.086 nan 8.370 nan 0.000 0.449 381 V N 1.410 121.355 119.914 0.052 0.000 2.358 381 V HA -0.209 3.916 4.120 0.008 0.000 0.246 381 V C 2.545 178.692 176.094 0.088 0.000 1.047 381 V CA 1.745 64.111 62.300 0.110 0.000 1.035 381 V CB -0.778 31.196 31.823 0.251 0.000 0.658 381 V HN 0.185 nan 8.190 nan 0.000 0.452 382 A N -0.272 122.624 122.820 0.127 0.000 1.933 382 A HA -0.158 4.167 4.320 0.008 0.000 0.218 382 A C 2.410 179.954 177.584 -0.067 0.000 1.175 382 A CA 1.970 54.071 52.037 0.106 0.000 0.628 382 A CB -0.690 18.448 19.000 0.230 0.000 0.814 382 A HN 0.320 nan 8.150 nan 0.000 0.444 383 V N -0.526 119.303 119.914 -0.142 0.000 2.282 383 V HA -0.380 3.744 4.120 0.008 0.000 0.249 383 V C 2.688 178.619 176.094 -0.271 0.000 1.057 383 V CA 2.255 64.435 62.300 -0.201 0.000 1.032 383 V CB -1.130 30.580 31.823 -0.189 0.000 0.645 383 V HN 0.730 nan 8.190 nan 0.000 0.447 384 C N -0.454 118.606 119.300 -0.401 0.000 2.413 384 C HA -0.216 4.249 4.460 0.008 0.000 0.277 384 C C 2.661 177.232 174.990 -0.698 0.000 1.265 384 C CA 1.214 59.738 59.018 -0.823 0.000 1.752 384 C CB -1.098 25.757 27.740 -1.475 0.000 1.998 384 C HN 0.540 nan 8.230 nan 0.000 0.489 385 M N 0.171 119.612 119.600 -0.265 0.000 2.659 385 M HA 0.004 4.489 4.480 0.008 0.000 0.243 385 M C 0.709 177.004 176.300 -0.009 0.000 1.111 385 M CA 1.045 56.367 55.300 0.036 0.000 1.070 385 M CB -0.510 32.199 32.600 0.183 0.000 1.525 385 M HN 0.351 nan 8.290 nan 0.000 0.517 386 D N 1.181 121.522 120.400 -0.099 0.000 2.800 386 D HA -0.158 4.486 4.640 0.008 0.000 0.232 386 D C -0.914 175.358 176.300 -0.047 0.000 1.137 386 D CA 0.515 54.465 54.000 -0.083 0.000 0.718 386 D CB -1.061 39.703 40.800 -0.060 0.000 1.084 386 D HN 0.335 nan 8.370 nan 0.000 0.432 387 L N -0.326 120.871 121.223 -0.045 0.000 2.416 387 L HA 0.410 4.755 4.340 0.008 0.000 0.262 387 L C 0.902 177.708 176.870 -0.108 0.000 1.093 387 L CA -0.876 53.955 54.840 -0.016 0.000 0.801 387 L CB 0.619 42.726 42.059 0.080 0.000 1.191 387 L HN -0.029 nan 8.230 nan 0.000 0.459 388 D N 0.291 120.647 120.400 -0.074 0.000 2.402 388 D HA 0.034 4.679 4.640 0.008 0.000 0.235 388 D C 1.011 177.098 176.300 -0.354 0.000 1.226 388 D CA -0.144 53.773 54.000 -0.139 0.000 0.918 388 D CB 0.761 41.542 40.800 -0.032 0.000 1.043 388 D HN 0.584 nan 8.370 nan 0.000 0.506 389 T N 0.711 114.883 114.554 -0.637 0.000 3.148 389 T HA 0.048 4.402 4.350 0.008 0.000 0.253 389 T C 1.661 176.008 174.700 -0.588 0.000 1.134 389 T CA 0.084 61.408 62.100 -1.294 0.000 1.051 389 T CB 0.144 68.253 68.868 -1.264 0.000 0.959 389 T HN 0.108 nan 8.240 nan 0.000 0.525 390 R N 0.798 121.140 120.500 -0.265 0.000 2.240 390 R HA 0.249 4.594 4.340 0.008 0.000 0.203 390 R C 0.808 177.125 176.300 0.030 0.000 1.011 390 R CA 0.524 56.568 56.100 -0.094 0.000 1.007 390 R CB 0.122 30.378 30.300 -0.074 0.000 0.911 390 R HN 0.415 nan 8.270 nan 0.000 0.468 391 T N -2.247 112.370 114.554 0.105 0.000 2.933 391 T HA 0.155 4.510 4.350 0.008 0.000 0.305 391 T C 1.033 175.924 174.700 0.317 0.000 1.092 391 T CA -0.407 61.797 62.100 0.173 0.000 1.008 391 T CB 1.545 70.475 68.868 0.103 0.000 1.102 391 T HN 0.214 nan 8.240 nan 0.000 0.469 392 T N 0.477 115.163 114.554 0.221 0.000 2.904 392 T HA -0.057 4.297 4.350 0.008 0.000 0.267 392 T C 1.989 176.747 174.700 0.096 0.000 1.059 392 T CA 1.491 63.680 62.100 0.150 0.000 1.137 392 T CB -0.535 68.366 68.868 0.055 0.000 0.879 392 T HN 0.667 nan 8.240 nan 0.000 0.467 393 S N 1.775 117.535 115.700 0.101 0.000 2.607 393 S HA 0.051 4.526 4.470 0.008 0.000 0.224 393 S C 1.954 176.604 174.600 0.084 0.000 0.969 393 S CA 0.446 58.685 58.200 0.065 0.000 0.927 393 S CB -0.696 62.534 63.200 0.051 0.000 0.772 393 S HN 0.691 nan 8.310 nan 0.000 0.533 394 S N 1.529 117.318 115.700 0.149 0.000 2.558 394 S HA 0.242 4.717 4.470 0.008 0.000 0.217 394 S C 0.953 175.640 174.600 0.144 0.000 0.975 394 S CA -0.049 58.247 58.200 0.160 0.000 0.912 394 S CB -0.982 62.352 63.200 0.223 0.000 0.776 394 S HN 0.626 nan 8.310 nan 0.000 0.526 395 L N 1.062 122.329 121.223 0.075 0.000 3.737 395 L HA -0.183 4.162 4.340 0.008 0.000 0.418 395 L C 1.659 178.542 176.870 0.021 0.000 1.216 395 L CA 0.761 55.587 54.840 -0.023 0.000 0.915 395 L CB -2.485 39.572 42.059 -0.004 0.000 1.834 395 L HN 0.751 nan 8.230 nan 0.000 0.943 396 W N -0.047 121.264 121.300 0.018 0.000 2.363 396 W HA -0.168 4.497 4.660 0.008 0.000 0.296 396 W C 1.794 178.329 176.519 0.027 0.000 1.212 396 W CA 1.187 58.546 57.345 0.022 0.000 1.260 396 W CB -0.651 28.819 29.460 0.017 0.000 1.131 396 W HN 0.229 nan 8.180 nan 0.000 0.530 397 K N 1.152 121.116 120.400 -0.727 0.000 2.026 397 K HA -0.183 4.142 4.320 0.008 0.000 0.208 397 K C 1.591 178.057 176.600 -0.223 0.000 1.048 397 K CA 2.635 58.537 56.287 -0.642 0.000 0.929 397 K CB -0.327 31.667 32.500 -0.843 0.000 0.713 397 K HN 0.033 nan 8.250 nan 0.000 0.439 398 D N 0.165 120.458 120.400 -0.178 0.000 2.097 398 D HA -0.135 4.510 4.640 0.008 0.000 0.195 398 D C 1.593 177.889 176.300 -0.007 0.000 0.989 398 D CA 1.286 55.237 54.000 -0.083 0.000 0.827 398 D CB 0.011 40.769 40.800 -0.070 0.000 0.966 398 D HN 0.115 nan 8.370 nan 0.000 0.456 399 K N 0.610 121.032 120.400 0.036 0.000 2.063 399 K HA -0.078 4.247 4.320 0.008 0.000 0.208 399 K C 2.178 178.845 176.600 0.111 0.000 1.048 399 K CA 1.306 57.642 56.287 0.082 0.000 0.928 399 K CB -0.182 32.386 32.500 0.113 0.000 0.713 399 K HN 0.104 nan 8.250 nan 0.000 0.442 400 A N 1.452 124.357 122.820 0.142 0.000 1.873 400 A HA -0.044 4.281 4.320 0.008 0.000 0.215 400 A C 2.409 180.080 177.584 0.144 0.000 1.186 400 A CA 1.594 53.743 52.037 0.188 0.000 0.616 400 A CB -0.785 18.366 19.000 0.251 0.000 0.823 400 A HN 0.309 nan 8.150 nan 0.000 0.442 401 A N -0.362 122.503 122.820 0.075 0.000 1.917 401 A HA -0.091 4.233 4.320 0.008 0.000 0.219 401 A C 2.232 179.833 177.584 0.028 0.000 1.182 401 A CA 2.039 54.094 52.037 0.030 0.000 0.633 401 A CB -1.024 17.955 19.000 -0.034 0.000 0.819 401 A HN 0.420 nan 8.150 nan 0.000 0.448 402 V N 0.207 120.145 119.914 0.040 0.000 2.295 402 V HA -0.221 3.904 4.120 0.008 0.000 0.246 402 V C 2.597 178.730 176.094 0.065 0.000 1.049 402 V CA 2.160 64.489 62.300 0.047 0.000 1.024 402 V CB -0.744 31.114 31.823 0.057 0.000 0.648 402 V HN 0.531 nan 8.190 nan 0.000 0.447 403 E N 0.056 120.321 120.200 0.107 0.000 2.051 403 E HA -0.167 4.187 4.350 0.008 0.000 0.192 403 E C 2.136 178.780 176.600 0.074 0.000 0.991 403 E CA 1.336 57.829 56.400 0.155 0.000 0.799 403 E CB -0.451 29.337 29.700 0.147 0.000 0.748 403 E HN 0.575 nan 8.360 nan 0.000 0.449 404 I N 1.900 122.546 120.570 0.126 0.000 2.163 404 I HA -0.306 3.869 4.170 0.008 0.000 0.243 404 I C 2.157 178.264 176.117 -0.016 0.000 1.085 404 I CA 1.039 62.413 61.300 0.124 0.000 1.347 404 I CB -0.362 37.767 38.000 0.215 0.000 1.044 404 I HN 0.088 nan 8.210 nan 0.000 0.408 405 N N 0.566 119.252 118.700 -0.024 0.000 2.104 405 N HA -0.206 4.539 4.740 0.008 0.000 0.190 405 N C 1.903 177.374 175.510 -0.064 0.000 1.024 405 N CA 1.398 54.414 53.050 -0.056 0.000 0.853 405 N CB -0.297 38.165 38.487 -0.043 0.000 1.008 405 N HN 0.227 nan 8.380 nan 0.000 0.424 406 L N 1.361 122.540 121.223 -0.073 0.000 2.093 406 L HA 0.012 4.356 4.340 0.008 0.000 0.208 406 L C 2.218 178.952 176.870 -0.228 0.000 1.085 406 L CA 1.379 56.138 54.840 -0.135 0.000 0.755 406 L CB -0.791 41.167 42.059 -0.167 0.000 0.904 406 L HN 0.055 nan 8.230 nan 0.000 0.435 407 A N -1.186 121.443 122.820 -0.317 0.000 1.930 407 A HA -0.111 4.213 4.320 0.008 0.000 0.217 407 A C 2.261 179.760 177.584 -0.142 0.000 1.175 407 A CA 1.740 53.537 52.037 -0.401 0.000 0.627 407 A CB -1.015 17.425 19.000 -0.934 0.000 0.815 407 A HN 0.293 nan 8.150 nan 0.000 0.443 408 V N -0.005 119.852 119.914 -0.096 0.000 2.287 408 V HA -0.287 3.838 4.120 0.008 0.000 0.248 408 V C 2.584 178.694 176.094 0.027 0.000 1.053 408 V CA 2.132 64.420 62.300 -0.020 0.000 1.027 408 V CB -0.768 30.970 31.823 -0.141 0.000 0.646 408 V HN 0.578 nan 8.190 nan 0.000 0.447 409 L N -0.718 120.488 121.223 -0.029 0.000 1.994 409 L HA -0.234 4.110 4.340 0.008 0.000 0.208 409 L C 2.616 179.521 176.870 0.058 0.000 1.071 409 L CA 2.209 57.050 54.840 0.000 0.000 0.745 409 L CB -0.789 41.265 42.059 -0.008 0.000 0.892 409 L HN 0.450 nan 8.230 nan 0.000 0.431 410 H N -0.604 118.421 119.070 -0.075 0.000 2.387 410 H HA -0.141 4.420 4.556 0.008 0.000 0.299 410 H C 2.290 177.601 175.328 -0.029 0.000 1.099 410 H CA 1.927 57.922 56.048 -0.089 0.000 1.315 410 H CB 0.106 29.749 29.762 -0.197 0.000 1.380 410 H HN 0.194 nan 8.280 nan 0.000 0.513 411 S N -0.658 115.017 115.700 -0.041 0.000 2.377 411 S HA -0.048 4.427 4.470 0.008 0.000 0.223 411 S C 1.852 176.425 174.600 -0.045 0.000 1.030 411 S CA 0.819 58.974 58.200 -0.076 0.000 0.970 411 S CB -0.333 62.889 63.200 0.037 0.000 0.830 411 S HN 0.302 nan 8.310 nan 0.000 0.473 412 F N 2.265 122.158 119.950 -0.095 0.000 2.134 412 F HA -0.107 4.424 4.527 0.007 0.000 0.299 412 F C 2.670 178.414 175.800 -0.093 0.000 1.097 412 F CA 1.165 59.128 58.000 -0.061 0.000 1.264 412 F CB -0.615 38.372 39.000 -0.021 0.000 1.001 412 F HN 0.203 nan 8.300 nan 0.000 0.479 413 Q N -0.491 119.347 119.800 0.064 0.000 2.050 413 Q HA -0.222 4.123 4.340 0.008 0.000 0.202 413 Q C 2.247 178.178 176.000 -0.115 0.000 0.980 413 Q CA 1.529 57.312 55.803 -0.035 0.000 0.840 413 Q CB -0.531 28.178 28.738 -0.048 0.000 0.898 413 Q HN 0.329 nan 8.270 nan 0.000 0.424 414 L N 0.457 121.543 121.223 -0.228 0.000 2.012 414 L HA -0.154 4.190 4.340 0.008 0.000 0.210 414 L C 1.966 178.748 176.870 -0.148 0.000 1.073 414 L CA 2.088 56.790 54.840 -0.230 0.000 0.748 414 L CB -0.573 41.276 42.059 -0.350 0.000 0.891 414 L HN 0.143 nan 8.230 nan 0.000 0.431 415 A N -1.281 121.449 122.820 -0.150 0.000 2.235 415 A HA -0.013 4.312 4.320 0.008 0.000 0.208 415 A C 0.765 178.284 177.584 -0.108 0.000 1.172 415 A CA 0.298 52.252 52.037 -0.138 0.000 0.786 415 A CB -0.463 18.418 19.000 -0.197 0.000 0.804 415 A HN 0.491 nan 8.150 nan 0.000 0.479 416 K N -1.175 119.176 120.400 -0.082 0.000 3.125 416 K HA -0.125 4.200 4.320 0.008 0.000 0.268 416 K C -0.742 175.833 176.600 -0.041 0.000 1.078 416 K CA 0.779 57.032 56.287 -0.057 0.000 0.775 416 K CB -2.665 29.800 32.500 -0.057 0.000 1.253 416 K HN 0.267 nan 8.250 nan 0.000 0.486 417 V N 1.233 121.141 119.914 -0.010 0.000 2.448 417 V HA 0.154 4.279 4.120 0.008 0.000 0.295 417 V C 0.823 177.023 176.094 0.177 0.000 1.025 417 V CA -0.674 61.662 62.300 0.060 0.000 0.859 417 V CB 1.962 33.766 31.823 -0.033 0.000 0.988 417 V HN 0.289 nan 8.190 nan 0.000 0.431 418 T N 6.129 120.726 114.554 0.071 0.000 2.933 418 T HA 0.346 4.701 4.350 0.008 0.000 0.306 418 T C -0.251 174.492 174.700 0.072 0.000 1.045 418 T CA 0.994 63.041 62.100 -0.088 0.000 1.143 418 T CB 0.080 68.733 68.868 -0.359 0.000 1.003 418 T HN 0.581 nan 8.240 nan 0.000 0.540 419 I N 2.366 122.912 120.570 -0.039 0.000 2.908 419 I HA 0.634 4.809 4.170 0.008 0.000 0.300 419 I C -1.639 174.490 176.117 0.021 0.000 1.385 419 I CA -0.865 60.449 61.300 0.023 0.000 1.004 419 I CB 1.970 39.915 38.000 -0.091 0.000 1.309 419 I HN 0.451 nan 8.210 nan 0.000 0.449 420 V N 5.198 125.185 119.914 0.122 0.000 2.638 420 V HA 0.520 4.644 4.120 0.008 0.000 0.306 420 V C -1.214 174.932 176.094 0.087 0.000 1.052 420 V CA -0.267 62.109 62.300 0.125 0.000 0.885 420 V CB 2.086 34.062 31.823 0.255 0.000 0.999 420 V HN 0.894 nan 8.190 nan 0.000 0.424 421 D N 4.155 124.586 120.400 0.052 0.000 2.344 421 D HA 0.168 4.812 4.640 0.008 0.000 0.244 421 D C 1.265 177.569 176.300 0.007 0.000 1.134 421 D CA 0.136 54.157 54.000 0.036 0.000 0.930 421 D CB 0.530 41.324 40.800 -0.011 0.000 1.175 421 D HN 0.736 nan 8.370 nan 0.000 0.437 422 H N 0.356 119.370 119.070 -0.094 0.000 2.489 422 H HA -0.138 4.422 4.556 0.008 0.000 0.293 422 H C 0.999 176.220 175.328 -0.178 0.000 1.066 422 H CA 1.277 57.227 56.048 -0.163 0.000 1.305 422 H CB -0.625 28.980 29.762 -0.261 0.000 1.386 422 H HN 0.538 nan 8.280 nan 0.000 0.551 423 H N 1.322 120.179 119.070 -0.354 0.000 2.276 423 H HA 0.086 4.647 4.556 0.007 0.000 0.301 423 H C 2.552 177.856 175.328 -0.040 0.000 1.073 423 H CA 1.433 57.375 56.048 -0.178 0.000 1.311 423 H CB -0.395 29.230 29.762 -0.228 0.000 1.379 423 H HN 0.489 nan 8.280 nan 0.000 0.494 424 A N 1.557 124.432 122.820 0.091 0.000 1.908 424 A HA -0.130 4.194 4.320 0.008 0.000 0.218 424 A C 2.725 180.377 177.584 0.114 0.000 1.181 424 A CA 1.951 54.044 52.037 0.092 0.000 0.627 424 A CB -0.951 18.094 19.000 0.075 0.000 0.818 424 A HN 0.454 nan 8.150 nan 0.000 0.445 425 A N -0.191 122.694 122.820 0.109 0.000 1.892 425 A HA -0.180 4.145 4.320 0.008 0.000 0.218 425 A C 2.503 180.174 177.584 0.145 0.000 1.188 425 A CA 2.989 55.107 52.037 0.134 0.000 0.631 425 A CB -1.567 17.500 19.000 0.112 0.000 0.822 425 A HN 0.823 nan 8.150 nan 0.000 0.447 426 T N -2.634 111.987 114.554 0.112 0.000 2.777 426 T HA -0.107 4.248 4.350 0.008 0.000 0.266 426 T C 1.704 176.531 174.700 0.212 0.000 1.040 426 T CA 1.420 63.609 62.100 0.148 0.000 1.141 426 T CB -0.986 67.936 68.868 0.090 0.000 0.868 426 T HN 0.076 nan 8.240 nan 0.000 0.444 427 V N 2.994 123.007 119.914 0.166 0.000 2.317 427 V HA -0.221 3.904 4.120 0.008 0.000 0.251 427 V C 3.181 179.373 176.094 0.163 0.000 1.065 427 V CA 2.400 64.791 62.300 0.152 0.000 1.049 427 V CB -1.090 30.803 31.823 0.117 0.000 0.651 427 V HN 0.848 nan 8.190 nan 0.000 0.450 428 S N -1.106 114.701 115.700 0.179 0.000 2.489 428 S HA -0.103 4.371 4.470 0.008 0.000 0.228 428 S C 1.805 176.547 174.600 0.237 0.000 0.995 428 S CA 1.023 59.330 58.200 0.178 0.000 0.934 428 S CB -0.536 62.767 63.200 0.171 0.000 0.771 428 S HN 0.551 nan 8.310 nan 0.000 0.522 429 F N 2.323 122.340 119.950 0.112 0.000 2.187 429 F HA 0.169 4.701 4.527 0.007 0.000 0.295 429 F C 2.162 178.054 175.800 0.154 0.000 1.091 429 F CA 0.912 58.994 58.000 0.136 0.000 1.308 429 F CB -0.295 38.762 39.000 0.094 0.000 1.030 429 F HN 0.051 nan 8.300 nan 0.000 0.487 430 M N 0.502 120.191 119.600 0.150 0.000 2.108 430 M HA -0.242 4.242 4.480 0.008 0.000 0.257 430 M C 2.178 178.459 176.300 -0.031 0.000 1.071 430 M CA 1.711 57.033 55.300 0.037 0.000 1.093 430 M CB -1.399 31.267 32.600 0.111 0.000 1.345 430 M HN 0.106 nan 8.290 nan 0.000 0.403 431 K N -0.518 119.897 120.400 0.025 0.000 2.097 431 K HA -0.175 4.150 4.320 0.008 0.000 0.205 431 K C 1.968 178.561 176.600 -0.011 0.000 1.050 431 K CA 1.607 57.904 56.287 0.017 0.000 0.938 431 K CB -0.600 31.934 32.500 0.056 0.000 0.718 431 K HN 0.437 nan 8.250 nan 0.000 0.442 432 H N -0.035 118.965 119.070 -0.116 0.000 2.387 432 H HA 0.011 4.572 4.556 0.007 0.000 0.299 432 H C 1.635 176.812 175.328 -0.252 0.000 1.090 432 H CA 2.063 58.016 56.048 -0.159 0.000 1.332 432 H CB -0.090 29.573 29.762 -0.163 0.000 1.386 432 H HN 0.163 nan 8.280 nan 0.000 0.516 433 L N 0.092 121.040 121.223 -0.458 0.000 2.017 433 L HA -0.183 4.162 4.340 0.008 0.000 0.208 433 L C 2.517 179.231 176.870 -0.260 0.000 1.073 433 L CA 1.764 56.351 54.840 -0.421 0.000 0.745 433 L CB -0.538 41.319 42.059 -0.336 0.000 0.894 433 L HN 0.489 nan 8.230 nan 0.000 0.432 434 D N 0.162 120.459 120.400 -0.173 0.000 2.097 434 D HA -0.204 4.440 4.640 0.008 0.000 0.195 434 D C 1.712 177.942 176.300 -0.116 0.000 0.989 434 D CA 1.434 55.368 54.000 -0.109 0.000 0.827 434 D CB 0.066 40.829 40.800 -0.062 0.000 0.966 434 D HN 0.292 nan 8.370 nan 0.000 0.456 435 N N 1.000 119.621 118.700 -0.131 0.000 2.043 435 N HA -0.149 4.595 4.740 0.008 0.000 0.193 435 N C 1.743 177.174 175.510 -0.132 0.000 1.037 435 N CA 0.921 53.910 53.050 -0.102 0.000 0.851 435 N CB -0.530 37.917 38.487 -0.066 0.000 1.027 435 N HN 0.336 nan 8.380 nan 0.000 0.422 436 E N 0.633 120.677 120.200 -0.259 0.000 2.153 436 E HA -0.175 4.180 4.350 0.008 0.000 0.194 436 E C 1.900 178.408 176.600 -0.153 0.000 0.988 436 E CA 0.641 56.892 56.400 -0.248 0.000 0.811 436 E CB -0.142 29.305 29.700 -0.421 0.000 0.746 436 E HN 0.341 nan 8.360 nan 0.000 0.466 437 Q N 1.443 121.158 119.800 -0.142 0.000 2.061 437 Q HA -0.148 4.197 4.340 0.008 0.000 0.204 437 Q C 1.928 177.884 176.000 -0.072 0.000 0.984 437 Q CA 1.780 57.528 55.803 -0.092 0.000 0.846 437 Q CB -0.099 28.590 28.738 -0.080 0.000 0.902 437 Q HN 0.070 nan 8.270 nan 0.000 0.421 438 K N -0.852 119.509 120.400 -0.066 0.000 2.032 438 K HA -0.105 4.220 4.320 0.008 0.000 0.209 438 K C 1.894 178.468 176.600 -0.043 0.000 1.048 438 K CA 1.524 57.782 56.287 -0.047 0.000 0.927 438 K CB -0.310 32.168 32.500 -0.037 0.000 0.712 438 K HN 0.297 nan 8.250 nan 0.000 0.441 439 A N 0.133 122.927 122.820 -0.043 0.000 1.935 439 A HA 0.008 4.333 4.320 0.008 0.000 0.214 439 A C 1.786 179.350 177.584 -0.034 0.000 1.178 439 A CA 1.034 53.058 52.037 -0.023 0.000 0.640 439 A CB 0.072 19.077 19.000 0.008 0.000 0.825 439 A HN 0.136 nan 8.150 nan 0.000 0.447 440 R N -2.750 117.717 120.500 -0.055 0.000 2.513 440 R HA 0.237 4.581 4.340 0.008 0.000 0.245 440 R C 0.789 177.052 176.300 -0.061 0.000 0.908 440 R CA 0.612 56.680 56.100 -0.054 0.000 1.023 440 R CB 0.791 31.053 30.300 -0.063 0.000 1.338 440 R HN 0.692 nan 8.270 nan 0.000 0.575 441 G N 0.972 109.731 108.800 -0.069 0.000 2.171 441 G HA2 -0.145 3.820 3.960 0.008 0.000 0.238 441 G HA3 -0.145 3.820 3.960 0.008 0.000 0.238 441 G C 0.138 175.005 174.900 -0.056 0.000 1.039 441 G CA 0.056 45.108 45.100 -0.081 0.000 0.759 441 G HN 0.713 nan 8.290 nan 0.000 0.501 442 G N -2.398 106.385 108.800 -0.029 0.000 2.352 442 G HA2 0.539 4.504 3.960 0.008 0.000 0.302 442 G HA3 0.539 4.504 3.960 0.008 0.000 0.302 442 G C -0.820 174.100 174.900 0.034 0.000 1.370 442 G CA 0.317 45.438 45.100 0.035 0.000 0.918 442 G HN 1.921 nan 8.290 nan 0.000 0.610 443 C N 2.118 121.462 119.300 0.073 0.000 2.705 443 C HA 0.729 5.193 4.460 0.008 0.000 0.369 443 C C -2.514 172.461 174.990 -0.025 0.000 1.069 443 C CA -1.225 57.787 59.018 -0.011 0.000 1.260 443 C CB 1.285 28.963 27.740 -0.103 0.000 1.764 443 C HN 0.704 nan 8.230 nan 0.000 0.469 444 P HA 0.419 nan 4.420 nan 0.000 0.271 444 P C -0.659 176.554 177.300 -0.145 0.000 1.226 444 P CA 0.603 63.362 63.100 -0.569 0.000 0.765 444 P CB 1.013 32.177 31.700 -0.894 0.000 0.835 445 A N 2.557 125.359 122.820 -0.029 0.000 2.547 445 A HA 0.436 4.761 4.320 0.008 0.000 0.297 445 A C -1.351 176.304 177.584 0.119 0.000 1.056 445 A CA -0.549 51.558 52.037 0.116 0.000 0.688 445 A CB 1.334 20.532 19.000 0.329 0.000 1.282 445 A HN 0.413 nan 8.150 nan 0.000 0.400 446 D N 1.622 122.082 120.400 0.100 0.000 2.454 446 D HA 0.219 4.863 4.640 0.008 0.000 0.225 446 D C 0.788 177.226 176.300 0.230 0.000 1.081 446 D CA -0.461 53.624 54.000 0.143 0.000 0.864 446 D CB 0.415 41.237 40.800 0.037 0.000 1.040 446 D HN 0.562 nan 8.370 nan 0.000 0.517 447 W N 4.262 125.615 121.300 0.088 0.000 2.317 447 W HA -0.283 4.382 4.660 0.008 0.000 0.318 447 W C 1.938 178.500 176.519 0.072 0.000 1.227 447 W CA 2.421 59.802 57.345 0.061 0.000 1.269 447 W CB -0.066 29.405 29.460 0.020 0.000 1.155 447 W HN 0.549 nan 8.180 nan 0.000 0.484 448 A N -1.638 121.451 122.820 0.449 0.000 2.125 448 A HA -0.176 4.149 4.320 0.008 0.000 0.219 448 A C 1.356 178.986 177.584 0.077 0.000 1.156 448 A CA 1.549 53.766 52.037 0.299 0.000 0.671 448 A CB -1.089 18.114 19.000 0.339 0.000 0.794 448 A HN 0.566 nan 8.150 nan 0.000 0.459 449 W N -1.472 119.786 121.300 -0.069 0.000 2.842 449 W HA 0.254 4.919 4.660 0.007 0.000 0.267 449 W C 1.760 178.161 176.519 -0.197 0.000 1.219 449 W CA -0.215 57.070 57.345 -0.101 0.000 1.458 449 W CB 0.161 29.588 29.460 -0.056 0.000 1.006 449 W HN 0.102 nan 8.180 nan 0.000 0.603 450 I N 0.001 120.529 120.570 -0.071 0.000 2.286 450 I HA -0.071 4.104 4.170 0.008 0.000 0.245 450 I C 0.720 176.623 176.117 -0.356 0.000 1.104 450 I CA 0.868 61.988 61.300 -0.301 0.000 1.397 450 I CB -1.439 36.306 38.000 -0.426 0.000 1.072 450 I HN -0.433 nan 8.210 nan 0.000 0.417 451 V N 4.031 123.647 119.914 -0.496 0.000 2.529 451 V HA 0.051 4.176 4.120 0.008 0.000 0.292 451 V C -1.891 174.022 176.094 -0.302 0.000 1.028 451 V CA -0.935 61.074 62.300 -0.486 0.000 1.074 451 V CB 0.078 31.403 31.823 -0.830 0.000 0.958 451 V HN 0.133 nan 8.190 nan 0.000 0.481 452 P HA 0.156 nan 4.420 nan 0.000 0.269 452 P C -1.880 175.286 177.300 -0.223 0.000 1.215 452 P CA -1.216 61.754 63.100 -0.216 0.000 0.780 452 P CB 0.073 31.650 31.700 -0.205 0.000 0.898 453 P HA 0.017 nan 4.420 nan 0.000 0.233 453 P C 0.170 177.347 177.300 -0.205 0.000 1.167 453 P CA 0.989 63.963 63.100 -0.209 0.000 0.770 453 P CB 0.012 31.583 31.700 -0.215 0.000 0.837 454 I N -6.214 114.192 120.570 -0.274 0.000 2.740 454 I HA 0.508 4.683 4.170 0.008 0.000 0.303 454 I C 0.111 176.099 176.117 -0.215 0.000 1.044 454 I CA -1.164 59.992 61.300 -0.241 0.000 1.064 454 I CB 1.940 39.780 38.000 -0.268 0.000 1.249 454 I HN -0.392 nan 8.210 nan 0.000 0.433 455 S N 2.409 118.039 115.700 -0.117 0.000 3.561 455 S HA -0.201 4.274 4.470 0.008 0.000 0.318 455 S C 1.452 176.008 174.600 -0.073 0.000 1.181 455 S CA 0.812 58.983 58.200 -0.048 0.000 0.916 455 S CB -1.753 61.489 63.200 0.071 0.000 0.966 455 S HN 1.336 nan 8.310 nan 0.000 0.550 456 G N 2.289 111.020 108.800 -0.115 0.000 2.808 456 G HA2 -0.411 3.554 3.960 0.008 0.000 0.225 456 G HA3 -0.411 3.554 3.960 0.008 0.000 0.225 456 G C 1.421 176.188 174.900 -0.221 0.000 1.210 456 G CA 1.974 47.009 45.100 -0.108 0.000 0.777 456 G HN 1.461 nan 8.290 nan 0.000 0.640 457 S N -0.273 115.056 115.700 -0.617 0.000 2.607 457 S HA 0.217 4.691 4.470 0.008 0.000 0.224 457 S C 1.934 176.445 174.600 -0.149 0.000 0.969 457 S CA 0.561 58.241 58.200 -0.866 0.000 0.927 457 S CB 0.086 62.502 63.200 -1.306 0.000 0.772 457 S HN 0.081 nan 8.310 nan 0.000 0.533 458 L N 2.662 123.855 121.223 -0.051 0.000 2.552 458 L HA 0.222 4.567 4.340 0.008 0.000 0.227 458 L C 1.313 178.290 176.870 0.179 0.000 1.146 458 L CA 0.778 55.678 54.840 0.100 0.000 0.858 458 L CB -0.935 41.208 42.059 0.141 0.000 0.969 458 L HN 0.611 nan 8.230 nan 0.000 0.451 459 T N -4.640 109.994 114.554 0.134 0.000 2.895 459 T HA 0.383 4.738 4.350 0.008 0.000 0.283 459 T C -1.770 173.061 174.700 0.218 0.000 1.014 459 T CA -1.947 60.249 62.100 0.160 0.000 1.037 459 T CB 1.942 70.853 68.868 0.071 0.000 1.006 459 T HN -0.168 nan 8.240 nan 0.000 0.468 460 P HA -0.070 nan 4.420 nan 0.000 0.221 460 P C 1.881 179.357 177.300 0.293 0.000 1.150 460 P CA 0.919 64.203 63.100 0.308 0.000 0.800 460 P CB -0.398 31.442 31.700 0.234 0.000 0.787 461 V N -3.128 116.908 119.914 0.203 0.000 2.469 461 V HA -0.251 3.874 4.120 0.008 0.000 0.251 461 V C 2.331 178.494 176.094 0.116 0.000 1.064 461 V CA 1.514 63.908 62.300 0.157 0.000 1.066 461 V CB -2.342 29.507 31.823 0.043 0.000 0.667 461 V HN -0.098 nan 8.190 nan 0.000 0.461 462 F N 2.057 121.943 119.950 -0.106 0.000 2.154 462 F HA -0.214 4.318 4.527 0.007 0.000 0.301 462 F C 2.431 178.289 175.800 0.096 0.000 1.087 462 F CA 2.393 60.328 58.000 -0.109 0.000 1.274 462 F CB -0.320 38.497 39.000 -0.305 0.000 1.009 462 F HN 0.320 nan 8.300 nan 0.000 0.485 463 H N -1.139 118.233 119.070 0.503 0.000 2.526 463 H HA 0.126 4.686 4.556 0.008 0.000 0.274 463 H C 0.299 175.867 175.328 0.400 0.000 0.999 463 H CA 0.174 56.478 56.048 0.427 0.000 1.157 463 H CB -0.240 29.775 29.762 0.422 0.000 1.407 463 H HN 0.240 nan 8.280 nan 0.000 0.568 464 Q N 2.138 122.201 119.800 0.439 0.000 2.331 464 Q HA 0.151 4.495 4.340 0.008 0.000 0.257 464 Q C -0.548 175.690 176.000 0.396 0.000 0.957 464 Q CA -0.347 55.676 55.803 0.367 0.000 0.923 464 Q CB 0.595 29.517 28.738 0.307 0.000 1.212 464 Q HN 0.252 nan 8.270 nan 0.000 0.443 465 E N 3.331 123.714 120.200 0.304 0.000 2.415 465 E HA 0.216 4.571 4.350 0.008 0.000 0.262 465 E C -0.453 176.288 176.600 0.236 0.000 1.038 465 E CA 0.452 56.987 56.400 0.225 0.000 0.921 465 E CB 0.709 30.517 29.700 0.179 0.000 0.950 465 E HN 0.589 nan 8.360 nan 0.000 0.438 466 M N 1.600 121.344 119.600 0.240 0.000 2.446 466 M HA 0.359 4.844 4.480 0.008 0.000 0.294 466 M C -1.183 175.237 176.300 0.199 0.000 1.158 466 M CA -1.016 54.431 55.300 0.245 0.000 0.899 466 M CB 2.220 35.021 32.600 0.335 0.000 1.687 466 M HN 0.153 nan 8.290 nan 0.000 0.455 467 V N 1.827 121.867 119.914 0.211 0.000 2.472 467 V HA 0.441 4.566 4.120 0.008 0.000 0.290 467 V C -0.408 175.826 176.094 0.234 0.000 1.037 467 V CA -0.656 61.800 62.300 0.260 0.000 0.908 467 V CB 1.649 33.682 31.823 0.350 0.000 0.985 467 V HN 0.901 nan 8.190 nan 0.000 0.454 468 N N 3.061 121.896 118.700 0.225 0.000 2.314 468 N HA 0.685 5.430 4.740 0.008 0.000 0.294 468 N C -1.818 173.799 175.510 0.179 0.000 1.029 468 N CA -0.377 52.712 53.050 0.064 0.000 0.845 468 N CB 2.148 40.671 38.487 0.060 0.000 1.321 468 N HN 0.745 nan 8.380 nan 0.000 0.481 469 Y N 0.640 120.965 120.300 0.042 0.000 2.702 469 Y HA 0.469 5.024 4.550 0.008 0.000 0.336 469 Y C -1.571 174.342 175.900 0.022 0.000 1.203 469 Y CA -1.120 56.999 58.100 0.032 0.000 1.072 469 Y CB 0.675 39.158 38.460 0.039 0.000 1.327 469 Y HN 0.198 nan 8.280 nan 0.000 0.456 470 I N 3.647 124.316 120.570 0.165 0.000 2.312 470 I HA 0.384 4.559 4.170 0.008 0.000 0.290 470 I C -0.575 175.613 176.117 0.120 0.000 1.008 470 I CA -0.437 60.906 61.300 0.072 0.000 1.226 470 I CB 0.905 38.940 38.000 0.058 0.000 1.371 470 I HN 0.441 nan 8.210 nan 0.000 0.468 471 L N 4.767 126.028 121.223 0.062 0.000 2.332 471 L HA 0.588 4.933 4.340 0.008 0.000 0.269 471 L C 0.114 176.996 176.870 0.021 0.000 1.016 471 L CA -0.524 54.358 54.840 0.071 0.000 0.809 471 L CB 1.983 44.075 42.059 0.055 0.000 1.280 471 L HN 0.527 nan 8.230 nan 0.000 0.447 472 S N 1.097 116.818 115.700 0.034 0.000 2.536 472 S HA 0.601 5.075 4.470 0.008 0.000 0.287 472 S C -2.651 171.979 174.600 0.049 0.000 1.101 472 S CA -1.393 56.816 58.200 0.014 0.000 0.950 472 S CB 2.027 65.247 63.200 0.034 0.000 1.056 472 S HN 0.203 nan 8.310 nan 0.000 0.481 473 P HA 0.337 nan 4.420 nan 0.000 0.267 473 P C -1.161 176.035 177.300 -0.174 0.000 1.195 473 P CA 0.155 63.184 63.100 -0.118 0.000 0.773 473 P CB 0.435 32.024 31.700 -0.186 0.000 0.837 474 A N 1.678 124.362 122.820 -0.227 0.000 2.606 474 A HA 0.709 5.033 4.320 0.008 0.000 0.293 474 A C -1.586 175.814 177.584 -0.306 0.000 1.082 474 A CA -0.455 51.458 52.037 -0.207 0.000 0.685 474 A CB 0.862 19.821 19.000 -0.068 0.000 1.284 474 A HN 0.279 nan 8.150 nan 0.000 0.408 475 F N 0.900 120.820 119.950 -0.049 0.000 2.420 475 F HA 0.658 5.189 4.527 0.007 0.000 0.342 475 F C 0.889 176.694 175.800 0.009 0.000 1.113 475 F CA 0.035 58.022 58.000 -0.023 0.000 1.059 475 F CB 1.835 40.793 39.000 -0.070 0.000 1.128 475 F HN 0.537 nan 8.300 nan 0.000 0.475 476 R N 1.848 122.482 120.500 0.224 0.000 2.740 476 R HA 0.359 4.704 4.340 0.008 0.000 0.282 476 R C -1.282 175.120 176.300 0.169 0.000 0.969 476 R CA -1.175 55.022 56.100 0.161 0.000 0.918 476 R CB 1.516 31.878 30.300 0.104 0.000 1.175 476 R HN 0.615 nan 8.270 nan 0.000 0.464 477 Y N 2.517 122.843 120.300 0.043 0.000 2.578 477 Y HA -0.066 4.489 4.550 0.008 0.000 0.339 477 Y C -0.265 175.637 175.900 0.004 0.000 1.231 477 Y CA 0.642 58.754 58.100 0.020 0.000 1.461 477 Y CB 0.682 39.141 38.460 -0.002 0.000 1.323 477 Y HN 0.559 nan 8.280 nan 0.000 0.590 478 Q N 6.587 125.976 119.800 -0.684 0.000 2.359 478 Q HA 0.551 4.896 4.340 0.008 0.000 0.274 478 Q C -3.084 172.445 176.000 -0.784 0.000 1.074 478 Q CA -2.532 52.991 55.803 -0.468 0.000 0.810 478 Q CB 2.366 30.959 28.738 -0.243 0.000 1.342 478 Q HN 0.380 nan 8.270 nan 0.000 0.427 479 P HA 0.005 nan 4.420 nan 0.000 0.271 479 P C -0.645 176.357 177.300 -0.496 0.000 1.216 479 P CA 0.002 62.903 63.100 -0.331 0.000 0.776 479 P CB 0.534 32.136 31.700 -0.162 0.000 0.881 480 D N 4.413 124.421 120.400 -0.652 0.000 2.703 480 D HA -0.078 4.566 4.640 0.008 0.000 0.225 480 D C -1.274 174.435 176.300 -0.985 0.000 1.119 480 D CA -0.080 53.284 54.000 -1.061 0.000 0.845 480 D CB -0.020 39.671 40.800 -1.848 0.000 1.182 480 D HN 0.324 nan 8.370 nan 0.000 0.493 481 P HA 0.020 nan 4.420 nan 0.000 0.237 481 P C 0.054 176.992 177.300 -0.603 0.000 1.178 481 P CA 0.369 63.056 63.100 -0.687 0.000 0.766 481 P CB 0.080 31.330 31.700 -0.751 0.000 0.876 482 W N 0.000 120.902 121.300 -0.663 0.000 2.388 482 W HA 0.000 4.664 4.660 0.007 0.000 0.303 482 W CA 0.000 57.087 57.345 -0.430 0.000 1.226 482 W CB 0.000 29.209 29.460 -0.418 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535