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 3fr8_1_A DATA FIRST_RESID 81 DATA SEQUENCE AAMPSLDFDT SVFNKEKVSL AGHEEYIVRG GRNLFPLLPE AFKGIKQIGV DATA SEQUENCE IGWGSQGPAQ AQNLRDSLAE AKSDIVVKIG LRKGSKSFDE ARAAGFTEES DATA SEQUENCE GTLGDIWETV SGSDLVLLLI SDAAQADNYE KIFSHMKPNS ILGLSHGFLL DATA SEQUENCE GHLQSAGLDF PKNISVIAVC PKGMGPSVRR LYVQGKEING AGINSSFAVH DATA SEQUENCE QDVDGRATDV ALGWSVALGS PFTFATTLEQ EYKSDIFGER GILLGAVHGI DATA SEQUENCE VEALFRRYTE QGMDEEMAYK NTVEGITGII SKTISKKGML EVYNSLTEEG DATA SEQUENCE KKEFNKAYSA SFYPCMDILY ECYEDVASGS EIRSVVLAGR RFYEKEGLPA DATA SEQUENCE FPMGNIDQTR MWKVGEKVRS TRPENDLGPL HPFTAGVYVA LMMAQIEVLR DATA SEQUENCE KKGHSYSEII NESVIESVDS LNPFMHARGV AFMVDNCSTT ARLGSRKWAP DATA SEQUENCE RFDYILTQQA FVTVDKDAPI NQDLISNFMS DPVHGAIEVC AELRPTVDIS DATA SEQUENCE V 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 81 A HA 0.000 nan 4.320 nan 0.000 0.244 81 A C 0.000 177.541 177.584 -0.072 0.000 1.274 81 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 81 A CB 0.000 18.979 19.000 -0.034 0.000 0.831 82 A N -2.638 120.151 122.820 -0.052 0.000 2.435 82 A HA 0.543 4.862 4.320 -0.001 0.000 0.686 82 A C -0.037 177.492 177.584 -0.090 0.000 0.138 82 A CA 1.207 53.209 52.037 -0.058 0.000 0.024 82 A CB -1.970 16.989 19.000 -0.069 0.000 3.974 82 A HN 2.982 nan 8.150 nan 0.000 0.548 83 M N 1.231 120.789 119.600 -0.071 0.000 2.326 83 M HA 0.895 5.374 4.480 -0.001 0.000 0.292 83 M C -1.454 174.805 176.300 -0.069 0.000 1.081 83 M CA -0.345 54.882 55.300 -0.121 0.000 0.919 83 M CB 0.842 33.360 32.600 -0.137 0.000 1.634 83 M HN 2.321 nan 8.290 nan 0.000 0.451 84 P HA 0.595 nan 4.420 nan 0.000 0.245 84 P C 0.062 177.376 177.300 0.024 0.000 1.740 84 P CA 0.265 63.340 63.100 -0.041 0.000 1.125 84 P CB -0.424 31.232 31.700 -0.075 0.000 1.747 85 S N 2.415 118.154 115.700 0.066 0.000 2.423 85 S HA 0.381 4.850 4.470 -0.001 0.000 0.302 85 S C -0.106 174.571 174.600 0.128 0.000 1.143 85 S CA -0.275 57.996 58.200 0.117 0.000 1.080 85 S CB -0.153 63.124 63.200 0.128 0.000 1.081 85 S HN 0.423 nan 8.310 nan 0.000 0.522 86 L N 3.309 124.633 121.223 0.168 0.000 2.305 86 L HA 0.600 4.940 4.340 -0.001 0.000 0.284 86 L C -0.682 176.364 176.870 0.292 0.000 1.013 86 L CA -0.299 54.650 54.840 0.183 0.000 0.819 86 L CB 1.489 43.634 42.059 0.142 0.000 1.227 86 L HN 0.655 nan 8.230 nan 0.000 0.417 87 D N 3.126 123.656 120.400 0.215 0.000 2.423 87 D HA 0.640 5.279 4.640 -0.001 0.000 0.235 87 D C -1.330 175.073 176.300 0.172 0.000 1.011 87 D CA -0.040 54.016 54.000 0.092 0.000 0.963 87 D CB 1.858 42.609 40.800 -0.082 0.000 1.349 87 D HN 0.182 nan 8.370 nan 0.000 0.508 88 F N -0.967 118.976 119.950 -0.012 0.000 2.654 88 F HA 0.550 5.077 4.527 -0.001 0.000 0.308 88 F C -1.305 174.497 175.800 0.003 0.000 1.108 88 F CA -1.111 56.924 58.000 0.057 0.000 0.957 88 F CB 1.067 40.202 39.000 0.226 0.000 1.309 88 F HN -0.078 nan 8.300 nan 0.000 0.446 89 D N 0.983 121.493 120.400 0.185 0.000 2.274 89 D HA 0.430 5.069 4.640 -0.001 0.000 0.239 89 D C -0.728 175.689 176.300 0.194 0.000 1.104 89 D CA 0.052 54.101 54.000 0.082 0.000 0.840 89 D CB 1.809 42.642 40.800 0.055 0.000 1.100 89 D HN 0.771 nan 8.370 nan 0.000 0.477 90 T N -0.046 114.594 114.554 0.142 0.000 2.847 90 T HA 0.309 4.658 4.350 -0.001 0.000 0.291 90 T C 0.993 175.746 174.700 0.089 0.000 0.998 90 T CA -0.570 61.641 62.100 0.183 0.000 0.967 90 T CB 0.675 69.730 68.868 0.311 0.000 0.954 90 T HN 0.227 nan 8.240 nan 0.000 0.441 91 S N 3.494 119.229 115.700 0.058 0.000 2.458 91 S HA -0.007 4.462 4.470 -0.001 0.000 0.223 91 S C 1.838 176.415 174.600 -0.039 0.000 1.019 91 S CA 0.994 59.198 58.200 0.006 0.000 0.937 91 S CB -0.371 62.829 63.200 0.000 0.000 0.788 91 S HN 0.791 nan 8.310 nan 0.000 0.511 92 V N -2.766 117.099 119.914 -0.083 0.000 2.922 92 V HA 0.492 4.611 4.120 -0.001 0.000 0.242 92 V C 0.427 176.323 176.094 -0.331 0.000 1.094 92 V CA -0.314 61.832 62.300 -0.255 0.000 1.106 92 V CB -0.895 30.675 31.823 -0.421 0.000 0.799 92 V HN 0.266 nan 8.190 nan 0.000 0.474 93 F N 1.680 121.616 119.950 -0.022 0.000 2.377 93 F HA 0.499 5.025 4.527 -0.002 0.000 0.328 93 F C 0.502 176.303 175.800 0.002 0.000 1.094 93 F CA -0.787 57.201 58.000 -0.019 0.000 1.093 93 F CB 0.713 39.693 39.000 -0.033 0.000 1.214 93 F HN -0.014 nan 8.300 nan 0.000 0.518 94 N N 1.770 120.605 118.700 0.224 0.000 2.420 94 N HA 0.140 4.879 4.740 -0.001 0.000 0.249 94 N C -0.908 174.684 175.510 0.136 0.000 1.033 94 N CA -0.469 52.657 53.050 0.127 0.000 0.944 94 N CB 0.466 39.003 38.487 0.083 0.000 1.113 94 N HN 0.451 nan 8.380 nan 0.000 0.502 95 K N 2.459 122.928 120.400 0.115 0.000 2.201 95 K HA 0.144 4.463 4.320 -0.001 0.000 0.278 95 K C -0.625 176.066 176.600 0.153 0.000 1.027 95 K CA -0.509 55.856 56.287 0.131 0.000 0.909 95 K CB 0.582 33.072 32.500 -0.016 0.000 1.062 95 K HN 0.620 nan 8.250 nan 0.000 0.465 96 E N 3.615 123.933 120.200 0.198 0.000 2.277 96 E HA 0.278 4.627 4.350 -0.001 0.000 0.266 96 E C -1.368 175.332 176.600 0.166 0.000 0.901 96 E CA -1.116 55.386 56.400 0.169 0.000 0.782 96 E CB 1.804 31.576 29.700 0.120 0.000 1.228 96 E HN 0.320 nan 8.360 nan 0.000 0.424 97 K N 2.029 122.465 120.400 0.061 0.000 2.110 97 K HA 0.447 4.766 4.320 -0.001 0.000 0.263 97 K C -0.903 175.642 176.600 -0.092 0.000 0.975 97 K CA -0.774 55.424 56.287 -0.147 0.000 0.895 97 K CB 1.503 33.895 32.500 -0.179 0.000 1.060 97 K HN 0.516 nan 8.250 nan 0.000 0.448 98 V N -0.669 119.166 119.914 -0.132 0.000 2.841 98 V HA 0.504 4.623 4.120 -0.001 0.000 0.310 98 V C -0.755 175.297 176.094 -0.070 0.000 1.090 98 V CA -0.899 61.366 62.300 -0.058 0.000 0.930 98 V CB 1.811 33.639 31.823 0.008 0.000 1.014 98 V HN 0.662 nan 8.190 nan 0.000 0.425 99 S N 4.156 119.825 115.700 -0.052 0.000 2.429 99 S HA 0.758 5.227 4.470 -0.001 0.000 0.302 99 S C -0.501 174.069 174.600 -0.051 0.000 1.115 99 S CA -0.450 57.721 58.200 -0.050 0.000 1.095 99 S CB 0.662 63.826 63.200 -0.060 0.000 0.987 99 S HN 0.662 nan 8.310 nan 0.000 0.474 100 L N 2.717 123.917 121.223 -0.040 0.000 2.345 100 L HA 0.526 4.865 4.340 -0.001 0.000 0.274 100 L C 0.690 177.406 176.870 -0.257 0.000 0.999 100 L CA -0.719 54.042 54.840 -0.131 0.000 0.849 100 L CB 1.177 43.200 42.059 -0.060 0.000 1.220 100 L HN 0.869 nan 8.230 nan 0.000 0.422 101 A N 2.699 125.333 122.820 -0.311 0.000 2.783 101 A HA -0.082 4.237 4.320 -0.001 0.000 0.292 101 A C 1.378 178.891 177.584 -0.119 0.000 1.495 101 A CA 1.131 52.990 52.037 -0.296 0.000 0.787 101 A CB -1.807 16.810 19.000 -0.638 0.000 1.017 101 A HN 1.630 nan 8.150 nan 0.000 0.516 102 G N -2.920 105.805 108.800 -0.125 0.000 2.175 102 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.244 102 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.244 102 G C -0.155 174.565 174.900 -0.301 0.000 0.982 102 G CA 0.836 45.818 45.100 -0.196 0.000 0.641 102 G HN 1.701 nan 8.290 nan 0.000 0.527 103 H N 0.268 119.333 119.070 -0.007 0.000 2.469 103 H HA 0.655 5.210 4.556 -0.001 0.000 0.342 103 H C -0.244 175.084 175.328 -0.000 0.000 1.115 103 H CA -0.581 55.489 56.048 0.036 0.000 1.204 103 H CB 1.547 31.389 29.762 0.133 0.000 1.492 103 H HN 0.208 nan 8.280 nan 0.000 0.499 104 E N 1.889 122.140 120.200 0.083 0.000 2.259 104 E HA 0.237 4.586 4.350 -0.001 0.000 0.281 104 E C -0.574 175.999 176.600 -0.046 0.000 1.027 104 E CA -0.255 56.120 56.400 -0.042 0.000 0.838 104 E CB 0.748 30.397 29.700 -0.086 0.000 1.066 104 E HN 0.551 nan 8.360 nan 0.000 0.401 105 E N 1.929 122.041 120.200 -0.148 0.000 2.416 105 E HA 0.336 4.685 4.350 -0.001 0.000 0.273 105 E C -1.272 175.179 176.600 -0.249 0.000 0.935 105 E CA -0.895 55.470 56.400 -0.058 0.000 0.784 105 E CB 1.556 31.329 29.700 0.121 0.000 1.301 105 E HN 0.393 nan 8.360 nan 0.000 0.454 106 Y N 0.595 121.024 120.300 0.214 0.000 2.364 106 Y HA 0.495 5.044 4.550 -0.002 0.000 0.340 106 Y C -0.349 175.767 175.900 0.359 0.000 0.975 106 Y CA -0.737 57.490 58.100 0.212 0.000 1.089 106 Y CB 1.246 39.728 38.460 0.036 0.000 1.192 106 Y HN 0.313 nan 8.280 nan 0.000 0.454 107 I N 2.512 123.316 120.570 0.390 0.000 2.689 107 I HA 0.531 4.701 4.170 -0.001 0.000 0.299 107 I C -1.132 175.122 176.117 0.229 0.000 1.059 107 I CA -0.832 60.617 61.300 0.248 0.000 1.055 107 I CB 2.273 40.331 38.000 0.096 0.000 1.243 107 I HN 0.264 nan 8.210 nan 0.000 0.425 108 V N 5.757 125.729 119.914 0.097 0.000 2.349 108 V HA 0.470 4.589 4.120 -0.001 0.000 0.284 108 V C 0.082 176.105 176.094 -0.118 0.000 1.014 108 V CA -0.898 61.398 62.300 -0.006 0.000 0.826 108 V CB 1.003 32.739 31.823 -0.145 0.000 1.009 108 V HN 0.576 nan 8.190 nan 0.000 0.431 109 R N 2.595 123.027 120.500 -0.114 0.000 2.590 109 R HA 0.469 4.809 4.340 -0.001 0.000 0.274 109 R C 0.874 176.996 176.300 -0.297 0.000 1.061 109 R CA 0.305 56.208 56.100 -0.328 0.000 1.081 109 R CB 0.835 30.973 30.300 -0.270 0.000 0.984 109 R HN 0.854 nan 8.270 nan 0.000 0.448 110 G N -0.104 108.465 108.800 -0.384 0.000 2.736 110 G HA2 0.662 4.621 3.960 -0.001 0.000 0.229 110 G HA3 0.662 4.621 3.960 -0.001 0.000 0.229 110 G C -0.351 174.409 174.900 -0.232 0.000 1.380 110 G CA -0.324 44.629 45.100 -0.245 0.000 1.040 110 G HN 0.787 nan 8.290 nan 0.000 0.568 111 G N -2.283 106.392 108.800 -0.208 0.000 2.379 111 G HA2 0.098 4.057 3.960 -0.001 0.000 0.609 111 G HA3 0.098 4.057 3.960 -0.001 0.000 0.609 111 G C 0.417 175.008 174.900 -0.514 0.000 1.484 111 G CA -0.359 44.577 45.100 -0.273 0.000 0.921 111 G HN 0.500 nan 8.290 nan 0.000 0.658 112 R N 0.662 120.814 120.500 -0.581 0.000 2.159 112 R HA -0.134 4.206 4.340 -0.001 0.000 0.237 112 R C 2.162 177.933 176.300 -0.883 0.000 1.131 112 R CA 1.796 57.300 56.100 -0.994 0.000 0.982 112 R CB -0.518 29.527 30.300 -0.425 0.000 0.868 112 R HN 0.810 nan 8.270 nan 0.000 0.453 113 N N 0.075 118.505 118.700 -0.450 0.000 2.521 113 N HA -0.034 4.705 4.740 -0.001 0.000 0.188 113 N C 1.191 176.594 175.510 -0.177 0.000 1.146 113 N CA 0.244 53.147 53.050 -0.246 0.000 0.893 113 N CB -0.007 38.392 38.487 -0.147 0.000 0.975 113 N HN 0.159 nan 8.380 nan 0.000 0.451 114 L N -0.789 120.294 121.223 -0.233 0.000 2.607 114 L HA 0.240 4.579 4.340 -0.001 0.000 0.228 114 L C 0.752 177.721 176.870 0.166 0.000 1.123 114 L CA -0.259 54.574 54.840 -0.011 0.000 0.890 114 L CB -0.175 41.931 42.059 0.078 0.000 1.103 114 L HN 0.098 nan 8.230 nan 0.000 0.468 115 F N 1.236 121.236 119.950 0.083 0.000 2.216 115 F HA -0.039 4.487 4.527 -0.001 0.000 0.300 115 F C -0.129 175.711 175.800 0.067 0.000 1.085 115 F CA 0.190 58.249 58.000 0.099 0.000 1.326 115 F CB -2.277 36.786 39.000 0.105 0.000 1.027 115 F HN 0.145 nan 8.300 nan 0.000 0.497 116 P HA -0.117 nan 4.420 nan 0.000 0.231 116 P C 1.618 178.943 177.300 0.041 0.000 1.158 116 P CA 1.224 64.388 63.100 0.107 0.000 0.763 116 P CB -0.203 31.534 31.700 0.062 0.000 0.805 117 L N -1.461 119.773 121.223 0.020 0.000 2.509 117 L HA 0.049 4.388 4.340 -0.001 0.000 0.222 117 L C 2.518 179.300 176.870 -0.147 0.000 1.123 117 L CA 0.240 54.999 54.840 -0.136 0.000 0.856 117 L CB -0.583 41.290 42.059 -0.310 0.000 0.985 117 L HN -0.114 nan 8.230 nan 0.000 0.456 118 L N 0.097 121.328 121.223 0.013 0.000 2.046 118 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 118 L C -0.201 176.684 176.870 0.025 0.000 1.077 118 L CA 1.376 56.214 54.840 -0.005 0.000 0.747 118 L CB -1.813 40.372 42.059 0.211 0.000 0.896 118 L HN 0.213 nan 8.230 nan 0.000 0.432 119 P HA -0.232 nan 4.420 nan 0.000 0.215 119 P C 1.430 178.755 177.300 0.042 0.000 1.157 119 P CA 1.515 64.671 63.100 0.093 0.000 0.874 119 P CB 0.078 31.813 31.700 0.060 0.000 0.790 120 E N -0.908 119.270 120.200 -0.038 0.000 2.158 120 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 120 E C 1.962 178.497 176.600 -0.108 0.000 0.982 120 E CA 0.740 57.099 56.400 -0.068 0.000 0.823 120 E CB -0.387 29.249 29.700 -0.107 0.000 0.766 120 E HN 0.034 nan 8.360 nan 0.000 0.468 121 A N 0.563 123.251 122.820 -0.219 0.000 1.902 121 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 121 A C 1.058 178.495 177.584 -0.245 0.000 1.181 121 A CA 0.970 52.830 52.037 -0.295 0.000 0.623 121 A CB -0.440 18.312 19.000 -0.413 0.000 0.818 121 A HN 0.262 nan 8.150 nan 0.000 0.443 122 F N 0.458 120.454 119.950 0.076 0.000 2.980 122 F HA 0.279 4.806 4.527 -0.001 0.000 0.299 122 F C 1.389 177.212 175.800 0.039 0.000 1.211 122 F CA -0.480 57.557 58.000 0.062 0.000 1.328 122 F CB -0.412 38.620 39.000 0.053 0.000 1.154 122 F HN 0.280 nan 8.300 nan 0.000 0.528 123 K N 1.236 121.720 120.400 0.140 0.000 2.049 123 K HA -0.217 4.102 4.320 -0.001 0.000 0.219 123 K C 1.882 178.537 176.600 0.093 0.000 1.056 123 K CA 2.079 58.419 56.287 0.088 0.000 0.946 123 K CB -0.497 32.034 32.500 0.052 0.000 0.723 123 K HN 0.522 nan 8.250 nan 0.000 0.453 124 G N 0.159 109.018 108.800 0.098 0.000 3.605 124 G HA2 0.269 4.228 3.960 -0.001 0.000 0.277 124 G HA3 0.269 4.228 3.960 -0.001 0.000 0.277 124 G C -0.184 174.759 174.900 0.072 0.000 1.093 124 G CA -0.499 44.645 45.100 0.074 0.000 0.821 124 G HN 0.166 nan 8.290 nan 0.000 0.532 125 I N 0.536 121.160 120.570 0.091 0.000 2.359 125 I HA 0.327 4.497 4.170 -0.001 0.000 0.294 125 I C 0.620 176.751 176.117 0.023 0.000 0.987 125 I CA -0.745 60.583 61.300 0.047 0.000 1.225 125 I CB 2.149 40.165 38.000 0.027 0.000 1.366 125 I HN -0.135 nan 8.210 nan 0.000 0.466 126 K N 4.037 124.437 120.400 -0.000 0.000 2.399 126 K HA 0.221 4.540 4.320 -0.001 0.000 0.196 126 K C 0.061 176.645 176.600 -0.028 0.000 1.103 126 K CA 0.293 56.578 56.287 -0.003 0.000 0.986 126 K CB 0.853 33.358 32.500 0.008 0.000 0.952 126 K HN 0.597 nan 8.250 nan 0.000 0.541 127 Q N 0.641 120.411 119.800 -0.050 0.000 2.295 127 Q HA 0.394 4.733 4.340 -0.001 0.000 0.268 127 Q C -1.617 174.312 176.000 -0.119 0.000 1.010 127 Q CA -0.323 55.438 55.803 -0.068 0.000 0.856 127 Q CB 1.806 30.523 28.738 -0.035 0.000 1.349 127 Q HN 0.025 nan 8.270 nan 0.000 0.412 128 I N 2.614 123.086 120.570 -0.164 0.000 2.321 128 I HA 0.420 4.589 4.170 -0.001 0.000 0.291 128 I C 0.520 176.532 176.117 -0.175 0.000 0.998 128 I CA -0.642 60.522 61.300 -0.226 0.000 1.227 128 I CB 1.670 39.468 38.000 -0.337 0.000 1.368 128 I HN 0.721 nan 8.210 nan 0.000 0.466 129 G N 6.393 115.090 108.800 -0.170 0.000 2.475 129 G HA2 0.455 4.415 3.960 -0.001 0.000 0.322 129 G HA3 0.455 4.415 3.960 -0.001 0.000 0.322 129 G C -0.400 174.388 174.900 -0.186 0.000 1.044 129 G CA -0.283 44.729 45.100 -0.147 0.000 1.047 129 G HN 0.373 nan 8.290 nan 0.000 0.436 130 V N 5.003 124.802 119.914 -0.192 0.000 2.389 130 V HA 0.168 4.287 4.120 -0.001 0.000 0.264 130 V C 0.026 176.014 176.094 -0.176 0.000 1.049 130 V CA -0.611 61.572 62.300 -0.196 0.000 0.932 130 V CB 0.811 32.511 31.823 -0.205 0.000 1.011 130 V HN 0.491 nan 8.190 nan 0.000 0.475 131 I N 4.892 125.363 120.570 -0.166 0.000 2.304 131 I HA 0.717 4.886 4.170 -0.001 0.000 0.291 131 I C 0.719 176.747 176.117 -0.147 0.000 1.018 131 I CA 0.257 61.447 61.300 -0.182 0.000 1.260 131 I CB 0.371 38.244 38.000 -0.212 0.000 1.390 131 I HN 0.842 nan 8.210 nan 0.000 0.475 132 G N 6.530 115.248 108.800 -0.137 0.000 2.742 132 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.686 132 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.686 132 G C -1.319 173.580 174.900 -0.002 0.000 1.220 132 G CA -0.880 44.167 45.100 -0.088 0.000 0.783 132 G HN 0.695 nan 8.290 nan 0.000 0.646 133 W N 2.562 123.739 121.300 -0.205 0.000 2.104 133 W HA 0.578 5.238 4.660 -0.001 0.000 0.291 133 W C 0.067 176.507 176.519 -0.133 0.000 0.936 133 W CA -0.364 56.870 57.345 -0.186 0.000 1.856 133 W CB 1.065 30.391 29.460 -0.223 0.000 2.036 133 W HN 1.493 nan 8.180 nan 0.000 0.393 134 G N 1.943 110.623 108.800 -0.199 0.000 2.608 134 G HA2 0.344 4.303 3.960 -0.001 0.000 0.285 134 G HA3 0.344 4.303 3.960 -0.001 0.000 0.285 134 G C 0.023 174.802 174.900 -0.203 0.000 1.407 134 G CA 0.459 45.457 45.100 -0.170 0.000 1.276 134 G HN 0.344 nan 8.290 nan 0.000 0.587 135 S N 0.973 116.539 115.700 -0.224 0.000 4.159 135 S HA -0.330 4.139 4.470 -0.001 0.000 0.526 135 S C 2.025 176.499 174.600 -0.211 0.000 1.864 135 S CA 2.116 60.201 58.200 -0.191 0.000 4.249 135 S CB -1.176 61.937 63.200 -0.144 0.000 0.222 135 S HN 0.637 nan 8.310 nan 0.000 0.454 136 Q N 1.217 120.917 119.800 -0.167 0.000 2.123 136 Q HA 0.055 4.394 4.340 -0.001 0.000 0.199 136 Q C 2.305 178.195 176.000 -0.184 0.000 0.966 136 Q CA 1.670 57.394 55.803 -0.133 0.000 0.845 136 Q CB -1.080 27.621 28.738 -0.062 0.000 0.907 136 Q HN 0.775 nan 8.270 nan 0.000 0.439 137 G N 2.254 110.909 108.800 -0.241 0.000 2.545 137 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 137 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 137 G C -1.023 173.569 174.900 -0.512 0.000 1.218 137 G CA 0.872 45.791 45.100 -0.301 0.000 0.787 137 G HN 0.354 nan 8.290 nan 0.000 0.571 138 P HA -0.011 nan 4.420 nan 0.000 0.216 138 P C 2.175 179.155 177.300 -0.532 0.000 1.153 138 P CA 2.068 64.379 63.100 -1.315 0.000 0.848 138 P CB -0.178 30.614 31.700 -1.513 0.000 0.787 139 A N -0.241 122.365 122.820 -0.358 0.000 1.873 139 A HA -0.238 4.082 4.320 -0.001 0.000 0.215 139 A C 2.289 179.786 177.584 -0.146 0.000 1.186 139 A CA 1.524 53.448 52.037 -0.189 0.000 0.616 139 A CB -1.366 17.552 19.000 -0.137 0.000 0.823 139 A HN 0.160 nan 8.150 nan 0.000 0.442 140 Q N -0.702 119.026 119.800 -0.119 0.000 2.084 140 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 140 Q C 2.450 178.417 176.000 -0.054 0.000 0.978 140 Q CA 1.288 57.070 55.803 -0.035 0.000 0.844 140 Q CB -0.373 28.411 28.738 0.076 0.000 0.898 140 Q HN 0.676 nan 8.270 nan 0.000 0.426 141 A N 1.100 123.865 122.820 -0.093 0.000 1.902 141 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 141 A C 1.969 179.634 177.584 0.136 0.000 1.181 141 A CA 1.510 53.522 52.037 -0.041 0.000 0.623 141 A CB -0.458 18.422 19.000 -0.200 0.000 0.818 141 A HN 0.336 nan 8.150 nan 0.000 0.443 142 Q N -0.666 119.206 119.800 0.120 0.000 2.119 142 Q HA -0.129 4.210 4.340 -0.001 0.000 0.201 142 Q C 1.616 177.550 176.000 -0.110 0.000 0.972 142 Q CA 1.349 57.220 55.803 0.114 0.000 0.847 142 Q CB -0.145 28.653 28.738 0.100 0.000 0.903 142 Q HN 0.612 nan 8.270 nan 0.000 0.433 143 N N 0.092 118.627 118.700 -0.275 0.000 2.396 143 N HA -0.056 4.683 4.740 -0.001 0.000 0.180 143 N C 1.398 176.696 175.510 -0.354 0.000 1.028 143 N CA 0.771 53.438 53.050 -0.638 0.000 0.893 143 N CB 0.103 38.237 38.487 -0.589 0.000 0.967 143 N HN 0.192 nan 8.380 nan 0.000 0.440 144 L N -0.158 120.982 121.223 -0.139 0.000 2.130 144 L HA 0.083 4.422 4.340 -0.001 0.000 0.200 144 L C 2.535 179.366 176.870 -0.065 0.000 1.075 144 L CA 0.509 55.303 54.840 -0.076 0.000 0.768 144 L CB -0.279 41.741 42.059 -0.066 0.000 0.933 144 L HN 0.041 nan 8.230 nan 0.000 0.451 145 R N 0.659 121.157 120.500 -0.003 0.000 2.094 145 R HA -0.132 4.207 4.340 -0.001 0.000 0.239 145 R C -0.113 176.178 176.300 -0.016 0.000 1.137 145 R CA 1.376 57.485 56.100 0.016 0.000 0.943 145 R CB -0.505 29.838 30.300 0.072 0.000 0.850 145 R HN 0.268 nan 8.270 nan 0.000 0.433 146 D N 0.088 120.484 120.400 -0.006 0.000 2.343 146 D HA 0.072 4.711 4.640 -0.001 0.000 0.255 146 D C 0.430 176.727 176.300 -0.004 0.000 1.187 146 D CA 0.419 54.451 54.000 0.054 0.000 0.875 146 D CB 1.521 42.439 40.800 0.198 0.000 1.136 146 D HN 0.247 nan 8.370 nan 0.000 0.469 147 S N 1.090 116.730 115.700 -0.100 0.000 1.347 147 S HA -0.185 4.284 4.470 -0.001 0.000 0.250 147 S C 0.124 174.521 174.600 -0.339 0.000 0.762 147 S CA 0.494 58.380 58.200 -0.524 0.000 1.014 147 S CB -1.003 61.830 63.200 -0.612 0.000 1.072 147 S HN 0.336 nan 8.310 nan 0.000 0.495 148 L N -0.285 120.870 121.223 -0.114 0.000 3.510 148 L HA 1.004 5.343 4.340 -0.001 0.000 0.324 148 L C 0.868 177.744 176.870 0.010 0.000 1.307 148 L CA 0.520 55.350 54.840 -0.016 0.000 1.011 148 L CB -0.071 42.008 42.059 0.032 0.000 1.422 148 L HN 0.892 nan 8.230 nan 0.000 0.617 149 A N 0.843 123.667 122.820 0.006 0.000 5.324 149 A HA -0.417 3.902 4.320 -0.001 0.000 0.337 149 A C 1.669 179.279 177.584 0.044 0.000 1.730 149 A CA 2.264 54.310 52.037 0.016 0.000 0.711 149 A CB -1.688 17.315 19.000 0.005 0.000 1.434 149 A HN 0.570 nan 8.150 nan 0.000 0.400 150 E N -0.181 120.057 120.200 0.064 0.000 2.267 150 E HA 0.003 4.352 4.350 -0.001 0.000 0.197 150 E C 2.132 178.822 176.600 0.151 0.000 0.998 150 E CA 1.072 57.559 56.400 0.146 0.000 0.830 150 E CB -0.306 29.579 29.700 0.309 0.000 0.751 150 E HN 0.810 nan 8.360 nan 0.000 0.491 151 A N 0.840 123.731 122.820 0.118 0.000 2.123 151 A HA -0.032 4.288 4.320 -0.001 0.000 0.214 151 A C 0.700 178.335 177.584 0.084 0.000 1.152 151 A CA 0.219 52.329 52.037 0.121 0.000 0.728 151 A CB 0.074 19.150 19.000 0.127 0.000 0.814 151 A HN 0.049 nan 8.150 nan 0.000 0.464 152 K N -0.161 120.279 120.400 0.065 0.000 3.244 152 K HA -0.112 4.207 4.320 -0.001 0.000 0.270 152 K C -0.107 176.521 176.600 0.047 0.000 1.016 152 K CA 0.909 57.226 56.287 0.049 0.000 0.754 152 K CB -2.139 30.388 32.500 0.045 0.000 1.326 152 K HN 0.422 nan 8.250 nan 0.000 0.465 153 S N -0.419 115.311 115.700 0.050 0.000 2.593 153 S HA 0.333 4.802 4.470 -0.001 0.000 0.297 153 S C 0.713 175.334 174.600 0.034 0.000 1.112 153 S CA -0.881 57.350 58.200 0.053 0.000 1.043 153 S CB 1.076 64.326 63.200 0.084 0.000 1.054 153 S HN 0.256 nan 8.310 nan 0.000 0.516 154 D N 1.941 122.360 120.400 0.031 0.000 2.269 154 D HA 0.064 4.703 4.640 -0.001 0.000 0.208 154 D C 0.349 176.654 176.300 0.008 0.000 0.963 154 D CA 0.485 54.497 54.000 0.019 0.000 0.864 154 D CB -0.333 40.479 40.800 0.020 0.000 0.936 154 D HN 0.444 nan 8.370 nan 0.000 0.505 155 I N 1.153 121.726 120.570 0.005 0.000 2.906 155 I HA -0.179 3.990 4.170 -0.001 0.000 0.301 155 I C 0.162 176.258 176.117 -0.034 0.000 1.221 155 I CA 0.487 61.770 61.300 -0.029 0.000 1.435 155 I CB 0.335 38.293 38.000 -0.071 0.000 1.345 155 I HN -0.276 nan 8.210 nan 0.000 0.558 156 V N 7.689 127.583 119.914 -0.034 0.000 2.407 156 V HA 0.249 4.369 4.120 -0.001 0.000 0.278 156 V C 0.029 176.111 176.094 -0.020 0.000 1.037 156 V CA -0.785 61.508 62.300 -0.012 0.000 0.900 156 V CB 1.449 33.273 31.823 0.002 0.000 0.983 156 V HN 0.357 nan 8.190 nan 0.000 0.459 157 V N 5.411 125.344 119.914 0.031 0.000 2.320 157 V HA 0.322 4.442 4.120 -0.001 0.000 0.265 157 V C 0.245 176.412 176.094 0.121 0.000 1.048 157 V CA -0.446 61.887 62.300 0.055 0.000 0.865 157 V CB 0.662 32.566 31.823 0.136 0.000 1.043 157 V HN 0.831 nan 8.190 nan 0.000 0.474 158 K N 5.040 125.444 120.400 0.008 0.000 2.206 158 K HA 0.543 4.862 4.320 -0.001 0.000 0.264 158 K C -0.852 175.684 176.600 -0.106 0.000 0.967 158 K CA -0.793 55.494 56.287 -0.000 0.000 0.844 158 K CB 1.207 33.703 32.500 -0.007 0.000 1.099 158 K HN 0.424 nan 8.250 nan 0.000 0.441 159 I N 3.325 123.806 120.570 -0.149 0.000 2.325 159 I HA 0.241 4.411 4.170 -0.001 0.000 0.291 159 I C 0.705 176.721 176.117 -0.168 0.000 1.019 159 I CA -0.303 60.861 61.300 -0.228 0.000 1.302 159 I CB 0.801 38.584 38.000 -0.363 0.000 1.401 159 I HN 0.703 nan 8.210 nan 0.000 0.485 160 G N 7.211 115.899 108.800 -0.188 0.000 2.368 160 G HA2 0.708 4.668 3.960 -0.001 0.000 0.320 160 G HA3 0.708 4.668 3.960 -0.001 0.000 0.320 160 G C -0.836 173.901 174.900 -0.271 0.000 1.158 160 G CA -0.351 44.628 45.100 -0.201 0.000 0.912 160 G HN 0.470 nan 8.290 nan 0.000 0.456 161 L N 1.155 122.205 121.223 -0.289 0.000 2.376 161 L HA 0.565 4.904 4.340 -0.001 0.000 0.258 161 L C 0.529 177.278 176.870 -0.202 0.000 1.013 161 L CA -1.213 53.403 54.840 -0.374 0.000 0.822 161 L CB 2.445 44.012 42.059 -0.821 0.000 1.388 161 L HN 0.447 nan 8.230 nan 0.000 0.413 162 R N 0.364 120.764 120.500 -0.167 0.000 2.784 162 R HA 0.008 4.347 4.340 -0.001 0.000 0.266 162 R C 0.714 177.100 176.300 0.143 0.000 1.044 162 R CA -0.316 55.761 56.100 -0.038 0.000 1.151 162 R CB 0.529 30.809 30.300 -0.033 0.000 1.037 162 R HN 0.397 nan 8.270 nan 0.000 0.478 163 K N 1.071 121.549 120.400 0.131 0.000 2.074 163 K HA -0.115 4.205 4.320 -0.001 0.000 0.209 163 K C 1.196 177.888 176.600 0.154 0.000 1.048 163 K CA 1.965 58.335 56.287 0.138 0.000 0.926 163 K CB -0.319 32.230 32.500 0.080 0.000 0.713 163 K HN 0.755 nan 8.250 nan 0.000 0.444 164 G N 0.101 108.975 108.800 0.124 0.000 4.125 164 G HA2 0.139 4.098 3.960 -0.001 0.000 0.301 164 G HA3 0.139 4.098 3.960 -0.001 0.000 0.301 164 G C -0.673 174.302 174.900 0.125 0.000 1.273 164 G CA -0.328 44.835 45.100 0.105 0.000 1.095 164 G HN 0.227 nan 8.290 nan 0.000 0.582 165 S N -0.311 115.516 115.700 0.212 0.000 2.580 165 S HA 0.272 4.742 4.470 -0.001 0.000 0.274 165 S C 1.212 175.896 174.600 0.140 0.000 1.329 165 S CA -0.338 57.912 58.200 0.083 0.000 1.036 165 S CB 0.970 64.065 63.200 -0.176 0.000 0.919 165 S HN 0.396 nan 8.310 nan 0.000 0.515 166 K N 2.127 122.554 120.400 0.045 0.000 2.374 166 K HA 0.187 4.506 4.320 -0.001 0.000 0.196 166 K C 0.857 177.463 176.600 0.009 0.000 1.023 166 K CA 0.052 56.370 56.287 0.052 0.000 1.103 166 K CB 0.375 32.897 32.500 0.038 0.000 0.848 166 K HN 0.369 nan 8.250 nan 0.000 0.528 167 S N 0.283 115.929 115.700 -0.089 0.000 2.577 167 S HA 0.163 4.632 4.470 -0.001 0.000 0.219 167 S C 0.924 175.283 174.600 -0.402 0.000 0.962 167 S CA -0.278 57.798 58.200 -0.206 0.000 0.921 167 S CB -0.085 63.023 63.200 -0.153 0.000 0.789 167 S HN 0.189 nan 8.310 nan 0.000 0.497 168 F N 3.144 122.964 119.950 -0.216 0.000 2.051 168 F HA -0.156 4.370 4.527 -0.001 0.000 0.296 168 F C 2.314 177.972 175.800 -0.236 0.000 1.122 168 F CA 1.486 59.348 58.000 -0.230 0.000 1.201 168 F CB -0.180 38.735 39.000 -0.141 0.000 0.978 168 F HN 0.253 nan 8.300 nan 0.000 0.472 169 D N -0.552 119.874 120.400 0.042 0.000 2.371 169 D HA -0.119 4.520 4.640 -0.001 0.000 0.221 169 D C 1.409 177.669 176.300 -0.067 0.000 0.986 169 D CA 0.764 54.756 54.000 -0.013 0.000 0.899 169 D CB -0.835 39.969 40.800 0.007 0.000 0.902 169 D HN 0.383 nan 8.370 nan 0.000 0.530 170 E N 0.265 120.380 120.200 -0.142 0.000 2.112 170 E HA 0.046 4.395 4.350 -0.001 0.000 0.190 170 E C 2.084 178.505 176.600 -0.298 0.000 0.979 170 E CA 0.857 57.175 56.400 -0.136 0.000 0.814 170 E CB -0.007 29.651 29.700 -0.070 0.000 0.762 170 E HN 0.386 nan 8.360 nan 0.000 0.460 171 A N 1.302 123.690 122.820 -0.719 0.000 1.968 171 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 171 A C 1.985 179.446 177.584 -0.206 0.000 1.169 171 A CA 0.774 52.265 52.037 -0.910 0.000 0.638 171 A CB -0.197 18.064 19.000 -1.232 0.000 0.812 171 A HN 0.039 nan 8.150 nan 0.000 0.446 172 R N -0.493 119.930 120.500 -0.129 0.000 2.148 172 R HA 0.005 4.344 4.340 -0.001 0.000 0.223 172 R C 2.245 178.539 176.300 -0.010 0.000 1.088 172 R CA 0.938 57.021 56.100 -0.028 0.000 0.985 172 R CB -0.315 29.974 30.300 -0.017 0.000 0.880 172 R HN 0.491 nan 8.270 nan 0.000 0.451 173 A N 0.874 123.691 122.820 -0.005 0.000 2.066 173 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 173 A C 2.040 179.665 177.584 0.068 0.000 1.157 173 A CA 1.371 53.427 52.037 0.031 0.000 0.670 173 A CB -0.121 18.906 19.000 0.046 0.000 0.804 173 A HN 0.334 nan 8.150 nan 0.000 0.453 174 A N -1.785 121.105 122.820 0.116 0.000 2.275 174 A HA 0.447 4.766 4.320 -0.001 0.000 0.212 174 A C 1.544 179.134 177.584 0.011 0.000 1.201 174 A CA 0.999 53.153 52.037 0.195 0.000 0.843 174 A CB -0.674 18.642 19.000 0.527 0.000 0.873 174 A HN 1.792 nan 8.150 nan 0.000 0.492 175 G N -1.506 107.259 108.800 -0.060 0.000 2.142 175 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.225 175 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.225 175 G C -0.293 174.380 174.900 -0.379 0.000 1.015 175 G CA -0.063 44.913 45.100 -0.206 0.000 0.716 175 G HN 0.320 nan 8.290 nan 0.000 0.508 176 F N 1.960 121.886 119.950 -0.040 0.000 2.347 176 F HA 0.624 5.150 4.527 -0.001 0.000 0.366 176 F C 0.873 176.636 175.800 -0.062 0.000 1.107 176 F CA 0.105 58.073 58.000 -0.053 0.000 1.058 176 F CB 1.807 40.755 39.000 -0.085 0.000 1.236 176 F HN 0.267 nan 8.300 nan 0.000 0.456 177 T N -1.365 113.249 114.554 0.099 0.000 2.907 177 T HA 0.433 4.782 4.350 -0.001 0.000 0.290 177 T C 0.634 175.366 174.700 0.053 0.000 1.066 177 T CA -0.767 61.365 62.100 0.053 0.000 1.012 177 T CB 1.947 70.822 68.868 0.011 0.000 1.184 177 T HN 0.335 nan 8.240 nan 0.000 0.522 178 E N 0.226 120.445 120.200 0.032 0.000 2.158 178 E HA 0.009 4.358 4.350 -0.001 0.000 0.191 178 E C 1.769 178.377 176.600 0.013 0.000 0.982 178 E CA 0.746 57.159 56.400 0.023 0.000 0.823 178 E CB -0.149 29.553 29.700 0.004 0.000 0.766 178 E HN 0.728 nan 8.360 nan 0.000 0.468 179 E N 0.095 120.298 120.200 0.005 0.000 2.118 179 E HA -0.150 4.200 4.350 -0.001 0.000 0.195 179 E C 1.926 178.527 176.600 0.002 0.000 0.992 179 E CA 1.594 57.993 56.400 -0.000 0.000 0.804 179 E CB -0.171 29.525 29.700 -0.006 0.000 0.741 179 E HN 0.286 nan 8.360 nan 0.000 0.458 180 S N -1.591 114.111 115.700 0.004 0.000 2.528 180 S HA 0.192 4.661 4.470 -0.001 0.000 0.219 180 S C 1.635 176.246 174.600 0.018 0.000 0.985 180 S CA 0.276 58.478 58.200 0.003 0.000 0.914 180 S CB 0.318 63.511 63.200 -0.010 0.000 0.776 180 S HN 0.338 nan 8.310 nan 0.000 0.526 181 G N 1.609 110.426 108.800 0.028 0.000 2.160 181 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 181 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 181 G C 0.516 175.450 174.900 0.056 0.000 1.022 181 G CA 0.638 45.759 45.100 0.035 0.000 0.741 181 G HN 1.080 nan 8.290 nan 0.000 0.508 182 T N -2.997 111.612 114.554 0.090 0.000 3.054 182 T HA 0.610 4.959 4.350 -0.001 0.000 0.255 182 T C 0.277 175.098 174.700 0.202 0.000 1.035 182 T CA 0.576 62.782 62.100 0.176 0.000 0.941 182 T CB 0.761 69.775 68.868 0.243 0.000 1.026 182 T HN 1.225 nan 8.240 nan 0.000 0.533 183 L N 0.524 121.818 121.223 0.118 0.000 2.464 183 L HA 0.836 5.175 4.340 -0.001 0.000 0.266 183 L C -0.446 176.474 176.870 0.082 0.000 0.965 183 L CA -0.165 54.722 54.840 0.078 0.000 0.833 183 L CB 1.737 43.856 42.059 0.100 0.000 1.296 183 L HN 0.257 nan 8.230 nan 0.000 0.405 184 G N 2.427 111.274 108.800 0.078 0.000 2.706 184 G HA2 0.217 4.176 3.960 -0.001 0.000 0.307 184 G HA3 0.217 4.176 3.960 -0.001 0.000 0.307 184 G C -1.773 173.198 174.900 0.118 0.000 1.307 184 G CA -0.581 44.577 45.100 0.096 0.000 0.790 184 G HN 0.644 nan 8.290 nan 0.000 0.503 185 D N -0.255 120.199 120.400 0.090 0.000 2.399 185 D HA 0.038 4.677 4.640 -0.001 0.000 0.241 185 D C 1.594 177.863 176.300 -0.052 0.000 1.133 185 D CA -0.305 53.737 54.000 0.070 0.000 0.890 185 D CB 1.465 42.315 40.800 0.083 0.000 1.201 185 D HN 0.303 nan 8.370 nan 0.000 0.432 186 I N 2.978 123.432 120.570 -0.194 0.000 2.151 186 I HA -0.274 3.895 4.170 -0.001 0.000 0.243 186 I C 1.312 177.123 176.117 -0.510 0.000 1.080 186 I CA 1.506 62.520 61.300 -0.476 0.000 1.339 186 I CB -0.017 37.512 38.000 -0.785 0.000 1.039 186 I HN 0.565 nan 8.210 nan 0.000 0.409 187 W N 0.720 121.949 121.300 -0.118 0.000 2.576 187 W HA 0.031 4.690 4.660 -0.001 0.000 0.270 187 W C 2.461 178.978 176.519 -0.004 0.000 1.255 187 W CA 0.100 57.320 57.345 -0.209 0.000 1.314 187 W CB -0.113 29.125 29.460 -0.371 0.000 1.101 187 W HN 0.077 nan 8.180 nan 0.000 0.595 188 E N 0.043 120.360 120.200 0.195 0.000 2.106 188 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 188 E C 1.901 178.561 176.600 0.101 0.000 0.984 188 E CA 1.725 58.214 56.400 0.149 0.000 0.806 188 E CB -0.200 29.560 29.700 0.100 0.000 0.750 188 E HN 0.191 nan 8.360 nan 0.000 0.458 189 T N 0.712 115.291 114.554 0.041 0.000 2.737 189 T HA -0.108 4.241 4.350 -0.001 0.000 0.265 189 T C 2.156 176.873 174.700 0.028 0.000 1.038 189 T CA 1.041 63.142 62.100 0.003 0.000 1.144 189 T CB -0.250 68.579 68.868 -0.065 0.000 0.866 189 T HN -0.023 nan 8.240 nan 0.000 0.434 190 V N 1.753 121.696 119.914 0.049 0.000 2.332 190 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 190 V C 2.724 178.922 176.094 0.173 0.000 1.055 190 V CA 1.857 64.225 62.300 0.115 0.000 1.038 190 V CB -0.891 31.053 31.823 0.201 0.000 0.651 190 V HN 0.429 nan 8.190 nan 0.000 0.450 191 S N 0.369 116.205 115.700 0.227 0.000 2.402 191 S HA -0.068 4.402 4.470 -0.001 0.000 0.229 191 S C 1.758 176.424 174.600 0.110 0.000 1.021 191 S CA 1.273 59.586 58.200 0.189 0.000 0.974 191 S CB -0.270 63.057 63.200 0.213 0.000 0.800 191 S HN 0.710 nan 8.310 nan 0.000 0.484 192 G N 0.413 109.265 108.800 0.087 0.000 3.434 192 G HA2 0.319 4.278 3.960 -0.001 0.000 0.258 192 G HA3 0.319 4.278 3.960 -0.001 0.000 0.258 192 G C -0.133 174.786 174.900 0.030 0.000 1.128 192 G CA -0.235 44.897 45.100 0.053 0.000 0.792 192 G HN 0.320 nan 8.290 nan 0.000 0.539 193 S N 0.431 116.149 115.700 0.031 0.000 2.454 193 S HA 0.290 4.760 4.470 -0.001 0.000 0.306 193 S C 0.159 174.761 174.600 0.005 0.000 1.100 193 S CA -0.682 57.517 58.200 -0.002 0.000 1.087 193 S CB 1.997 65.181 63.200 -0.025 0.000 1.019 193 S HN 0.194 nan 8.310 nan 0.000 0.480 194 D N 1.022 121.414 120.400 -0.014 0.000 2.249 194 D HA 0.052 4.691 4.640 -0.001 0.000 0.205 194 D C 0.105 176.395 176.300 -0.016 0.000 0.962 194 D CA 0.689 54.688 54.000 -0.001 0.000 0.860 194 D CB 0.247 41.049 40.800 0.003 0.000 0.955 194 D HN 0.247 nan 8.370 nan 0.000 0.505 195 L N 1.101 122.281 121.223 -0.072 0.000 2.406 195 L HA 0.361 4.700 4.340 -0.001 0.000 0.270 195 L C -1.320 175.449 176.870 -0.168 0.000 0.982 195 L CA -0.813 53.956 54.840 -0.119 0.000 0.843 195 L CB 2.143 44.092 42.059 -0.182 0.000 1.225 195 L HN -0.289 nan 8.230 nan 0.000 0.412 196 V N 6.922 126.760 119.914 -0.126 0.000 2.357 196 V HA 0.560 4.679 4.120 -0.001 0.000 0.284 196 V C -0.728 175.264 176.094 -0.171 0.000 1.018 196 V CA -0.491 61.731 62.300 -0.130 0.000 0.841 196 V CB 1.484 33.284 31.823 -0.038 0.000 0.991 196 V HN 0.704 nan 8.190 nan 0.000 0.437 197 L N 7.064 128.133 121.223 -0.256 0.000 2.265 197 L HA 0.457 4.796 4.340 -0.001 0.000 0.288 197 L C -0.278 176.528 176.870 -0.107 0.000 1.058 197 L CA -0.631 54.053 54.840 -0.260 0.000 0.809 197 L CB 1.372 43.175 42.059 -0.427 0.000 1.179 197 L HN 0.513 nan 8.230 nan 0.000 0.429 198 L N 5.775 126.992 121.223 -0.010 0.000 2.389 198 L HA 0.249 4.589 4.340 -0.001 0.000 0.265 198 L C 0.309 177.197 176.870 0.031 0.000 1.167 198 L CA 0.515 55.363 54.840 0.013 0.000 1.045 198 L CB 0.006 42.111 42.059 0.078 0.000 1.351 198 L HN 0.580 nan 8.230 nan 0.000 0.419 199 L N 4.888 126.102 121.223 -0.015 0.000 2.848 199 L HA 0.258 4.597 4.340 -0.001 0.000 0.240 199 L C 0.664 177.507 176.870 -0.045 0.000 1.232 199 L CA -0.236 54.597 54.840 -0.010 0.000 1.031 199 L CB -0.521 41.522 42.059 -0.027 0.000 1.338 199 L HN 0.518 nan 8.230 nan 0.000 0.509 200 I N -3.139 117.403 120.570 -0.048 0.000 3.156 200 I HA 0.340 4.509 4.170 -0.001 0.000 0.306 200 I C 1.062 177.150 176.117 -0.048 0.000 1.048 200 I CA -0.591 60.674 61.300 -0.059 0.000 1.207 200 I CB 0.633 38.589 38.000 -0.074 0.000 1.456 200 I HN 0.088 nan 8.210 nan 0.000 0.616 201 S N 1.077 116.745 115.700 -0.054 0.000 2.573 201 S HA 0.035 4.504 4.470 -0.001 0.000 0.277 201 S C 0.613 175.148 174.600 -0.108 0.000 1.346 201 S CA -0.285 57.870 58.200 -0.075 0.000 1.034 201 S CB 0.846 64.016 63.200 -0.050 0.000 0.879 201 S HN 0.735 nan 8.310 nan 0.000 0.528 202 D N 2.106 122.370 120.400 -0.227 0.000 2.123 202 D HA -0.110 4.529 4.640 -0.001 0.000 0.196 202 D C 2.166 178.258 176.300 -0.347 0.000 0.992 202 D CA 1.775 55.498 54.000 -0.462 0.000 0.833 202 D CB -0.610 39.516 40.800 -1.124 0.000 0.954 202 D HN 0.768 nan 8.370 nan 0.000 0.455 203 A N 1.054 123.736 122.820 -0.230 0.000 1.969 203 A HA 0.015 4.334 4.320 -0.001 0.000 0.218 203 A C 2.307 179.886 177.584 -0.009 0.000 1.169 203 A CA 1.795 53.791 52.037 -0.070 0.000 0.635 203 A CB -0.377 18.614 19.000 -0.015 0.000 0.810 203 A HN 0.240 nan 8.150 nan 0.000 0.445 204 A N -0.590 122.225 122.820 -0.009 0.000 1.897 204 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 204 A C 2.092 179.691 177.584 0.026 0.000 1.181 204 A CA 1.440 53.486 52.037 0.014 0.000 0.620 204 A CB -0.532 18.469 19.000 0.001 0.000 0.821 204 A HN 0.614 nan 8.150 nan 0.000 0.443 205 Q N -0.582 119.234 119.800 0.025 0.000 2.135 205 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 205 Q C 2.300 178.371 176.000 0.118 0.000 0.981 205 Q CA 1.402 57.251 55.803 0.076 0.000 0.856 205 Q CB -0.355 28.446 28.738 0.105 0.000 0.902 205 Q HN 0.689 nan 8.270 nan 0.000 0.425 206 A N 0.826 123.666 122.820 0.034 0.000 2.016 206 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 206 A C 1.032 178.680 177.584 0.108 0.000 1.162 206 A CA 1.247 53.181 52.037 -0.171 0.000 0.662 206 A CB 0.162 18.786 19.000 -0.627 0.000 0.812 206 A HN 0.142 nan 8.150 nan 0.000 0.450 207 D N -0.797 119.647 120.400 0.074 0.000 2.402 207 D HA 0.149 4.789 4.640 -0.001 0.000 0.216 207 D C 0.173 176.471 176.300 -0.003 0.000 1.128 207 D CA 0.057 54.090 54.000 0.055 0.000 0.833 207 D CB 0.218 41.045 40.800 0.046 0.000 0.971 207 D HN 0.346 nan 8.370 nan 0.000 0.503 208 N N -0.397 118.305 118.700 0.005 0.000 2.110 208 N HA -0.040 4.699 4.740 -0.001 0.000 0.230 208 N C 1.032 176.503 175.510 -0.065 0.000 1.353 208 N CA 0.011 53.052 53.050 -0.014 0.000 0.807 208 N CB 0.584 39.125 38.487 0.090 0.000 1.244 208 N HN 0.224 nan 8.380 nan 0.000 0.504 209 Y N 0.950 121.172 120.300 -0.130 0.000 2.293 209 Y HA 0.138 4.687 4.550 -0.001 0.000 0.291 209 Y C 1.914 177.439 175.900 -0.623 0.000 1.137 209 Y CA 0.947 58.789 58.100 -0.430 0.000 1.202 209 Y CB -0.462 37.759 38.460 -0.398 0.000 0.990 209 Y HN -0.088 nan 8.280 nan 0.000 0.537 210 E N 1.011 120.804 120.200 -0.678 0.000 2.051 210 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 210 E C 2.094 178.595 176.600 -0.166 0.000 0.991 210 E CA 1.490 57.694 56.400 -0.326 0.000 0.799 210 E CB -0.173 29.311 29.700 -0.361 0.000 0.748 210 E HN 0.512 nan 8.360 nan 0.000 0.449 211 K N 0.597 120.865 120.400 -0.220 0.000 2.147 211 K HA -0.136 4.183 4.320 -0.001 0.000 0.205 211 K C 2.035 178.529 176.600 -0.177 0.000 1.049 211 K CA 0.826 56.920 56.287 -0.322 0.000 0.936 211 K CB -0.001 32.136 32.500 -0.605 0.000 0.722 211 K HN 0.068 nan 8.250 nan 0.000 0.446 212 I N 0.085 120.720 120.570 0.108 0.000 2.202 212 I HA -0.254 3.915 4.170 -0.001 0.000 0.242 212 I C 1.708 178.029 176.117 0.339 0.000 1.091 212 I CA 1.008 62.535 61.300 0.377 0.000 1.368 212 I CB -0.280 37.808 38.000 0.147 0.000 1.058 212 I HN 0.051 nan 8.210 nan 0.000 0.410 213 F N 1.312 121.428 119.950 0.277 0.000 2.171 213 F HA -0.200 4.326 4.527 -0.001 0.000 0.300 213 F C 2.954 178.851 175.800 0.162 0.000 1.090 213 F CA 1.259 59.395 58.000 0.228 0.000 1.293 213 F CB -1.603 37.528 39.000 0.219 0.000 1.013 213 F HN 0.166 nan 8.300 nan 0.000 0.486 214 S N -1.189 114.680 115.700 0.281 0.000 2.423 214 S HA -0.190 4.279 4.470 -0.001 0.000 0.231 214 S C 1.536 176.159 174.600 0.038 0.000 1.014 214 S CA 1.257 59.521 58.200 0.107 0.000 0.965 214 S CB -0.884 62.308 63.200 -0.014 0.000 0.785 214 S HN 0.455 nan 8.310 nan 0.000 0.495 215 H N 0.449 119.582 119.070 0.106 0.000 2.551 215 H HA 0.370 4.926 4.556 -0.001 0.000 0.266 215 H C 0.395 175.825 175.328 0.170 0.000 0.964 215 H CA 0.237 56.372 56.048 0.145 0.000 1.180 215 H CB -0.046 29.881 29.762 0.274 0.000 1.408 215 H HN 0.302 nan 8.280 nan 0.000 0.563 216 M N 1.320 121.091 119.600 0.285 0.000 2.239 216 M HA 0.054 4.533 4.480 -0.001 0.000 0.348 216 M C 0.307 176.693 176.300 0.143 0.000 1.239 216 M CA 0.299 55.732 55.300 0.222 0.000 1.114 216 M CB 0.377 33.127 32.600 0.251 0.000 1.641 216 M HN 0.090 nan 8.290 nan 0.000 0.453 217 K N 4.153 124.622 120.400 0.114 0.000 2.350 217 K HA 0.235 4.554 4.320 -0.001 0.000 0.279 217 K C -2.123 174.520 176.600 0.072 0.000 1.027 217 K CA -1.401 54.934 56.287 0.079 0.000 0.969 217 K CB 0.094 32.633 32.500 0.065 0.000 0.954 217 K HN 0.365 nan 8.250 nan 0.000 0.474 218 P HA -0.039 nan 4.420 nan 0.000 0.263 218 P C -0.745 176.582 177.300 0.045 0.000 1.195 218 P CA 0.246 63.375 63.100 0.048 0.000 0.762 218 P CB 0.374 32.096 31.700 0.037 0.000 0.799 219 N N -1.093 117.634 118.700 0.045 0.000 2.925 219 N HA -0.130 4.609 4.740 -0.001 0.000 0.244 219 N C 0.205 175.744 175.510 0.049 0.000 1.000 219 N CA 1.317 54.393 53.050 0.043 0.000 0.895 219 N CB -2.154 36.356 38.487 0.038 0.000 1.119 219 N HN 0.645 nan 8.380 nan 0.000 0.569 220 S N -0.134 115.600 115.700 0.056 0.000 2.686 220 S HA 0.765 5.234 4.470 -0.001 0.000 0.270 220 S C 0.345 174.980 174.600 0.059 0.000 1.194 220 S CA -0.728 57.506 58.200 0.057 0.000 0.990 220 S CB 1.723 64.960 63.200 0.061 0.000 1.029 220 S HN 0.207 nan 8.310 nan 0.000 0.560 221 I N 1.019 121.619 120.570 0.050 0.000 2.436 221 I HA 0.376 4.545 4.170 -0.001 0.000 0.289 221 I C -1.042 175.096 176.117 0.035 0.000 1.010 221 I CA -0.849 60.480 61.300 0.048 0.000 1.098 221 I CB 1.746 39.782 38.000 0.060 0.000 1.266 221 I HN 0.496 nan 8.210 nan 0.000 0.434 222 L N 6.156 127.409 121.223 0.050 0.000 2.257 222 L HA 0.720 5.060 4.340 -0.001 0.000 0.290 222 L C 0.245 177.142 176.870 0.046 0.000 1.044 222 L CA 0.247 55.124 54.840 0.061 0.000 0.810 222 L CB 0.888 43.029 42.059 0.138 0.000 1.193 222 L HN 0.659 nan 8.230 nan 0.000 0.425 223 G N 6.157 114.962 108.800 0.009 0.000 2.356 223 G HA2 0.614 4.573 3.960 -0.001 0.000 0.322 223 G HA3 0.614 4.573 3.960 -0.001 0.000 0.322 223 G C -1.223 173.825 174.900 0.246 0.000 1.125 223 G CA -0.563 44.603 45.100 0.109 0.000 0.885 223 G HN 0.608 nan 8.290 nan 0.000 0.467 224 L N 1.126 122.607 121.223 0.429 0.000 2.370 224 L HA 0.388 4.727 4.340 -0.001 0.000 0.266 224 L C 0.778 177.878 176.870 0.383 0.000 1.002 224 L CA -0.793 54.256 54.840 0.349 0.000 0.818 224 L CB 2.519 44.709 42.059 0.220 0.000 1.325 224 L HN 0.511 nan 8.230 nan 0.000 0.418 225 S N -0.703 115.182 115.700 0.308 0.000 2.557 225 S HA 0.148 4.617 4.470 -0.001 0.000 0.223 225 S C -0.567 174.168 174.600 0.225 0.000 0.969 225 S CA -0.019 58.297 58.200 0.194 0.000 0.927 225 S CB -0.276 63.026 63.200 0.170 0.000 0.806 225 S HN 0.607 nan 8.310 nan 0.000 0.489 226 H N -1.448 117.698 119.070 0.126 0.000 3.094 226 H HA 0.454 5.010 4.556 -0.001 0.000 0.346 226 H C 0.337 175.779 175.328 0.190 0.000 1.238 226 H CA -0.309 55.825 56.048 0.142 0.000 1.209 226 H CB 0.624 30.464 29.762 0.130 0.000 1.911 226 H HN -0.053 nan 8.280 nan 0.000 0.540 227 G N 1.949 110.572 108.800 -0.294 0.000 3.314 227 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.238 227 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.238 227 G C 0.931 175.618 174.900 -0.355 0.000 1.184 227 G CA 0.013 45.022 45.100 -0.150 0.000 0.806 227 G HN 0.510 nan 8.290 nan 0.000 0.536 228 F N 0.735 120.289 119.950 -0.660 0.000 2.091 228 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 228 F C 2.266 177.907 175.800 -0.265 0.000 1.103 228 F CA 1.337 59.100 58.000 -0.396 0.000 1.228 228 F CB 0.101 39.057 39.000 -0.073 0.000 0.984 228 F HN 0.210 nan 8.300 nan 0.000 0.477 229 L N -0.027 121.243 121.223 0.077 0.000 2.079 229 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 229 L C 2.151 178.923 176.870 -0.163 0.000 1.081 229 L CA 1.640 56.506 54.840 0.044 0.000 0.752 229 L CB -1.165 41.030 42.059 0.227 0.000 0.896 229 L HN 0.331 nan 8.230 nan 0.000 0.433 230 L N -0.340 120.807 121.223 -0.126 0.000 2.027 230 L HA 0.020 4.359 4.340 -0.001 0.000 0.206 230 L C 2.353 178.952 176.870 -0.452 0.000 1.074 230 L CA 2.090 56.805 54.840 -0.208 0.000 0.745 230 L CB -1.418 40.612 42.059 -0.048 0.000 0.898 230 L HN 0.278 nan 8.230 nan 0.000 0.433 231 G N -2.033 106.241 108.800 -0.876 0.000 2.422 231 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.218 231 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.218 231 G C 1.531 176.087 174.900 -0.574 0.000 1.146 231 G CA 1.076 45.559 45.100 -1.029 0.000 0.769 231 G HN 0.629 nan 8.290 nan 0.000 0.547 232 H N 0.143 118.828 119.070 -0.641 0.000 2.357 232 H HA 0.153 4.708 4.556 -0.001 0.000 0.301 232 H C 2.490 177.588 175.328 -0.383 0.000 1.082 232 H CA 1.215 56.981 56.048 -0.471 0.000 1.342 232 H CB -0.154 29.359 29.762 -0.415 0.000 1.389 232 H HN 0.281 nan 8.280 nan 0.000 0.511 233 L N -0.081 120.882 121.223 -0.434 0.000 2.027 233 L HA -0.169 4.170 4.340 -0.001 0.000 0.206 233 L C 2.647 179.322 176.870 -0.324 0.000 1.074 233 L CA 1.409 55.972 54.840 -0.462 0.000 0.745 233 L CB -0.400 41.328 42.059 -0.551 0.000 0.898 233 L HN 0.388 nan 8.230 nan 0.000 0.433 234 Q N -0.389 119.250 119.800 -0.269 0.000 2.084 234 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 234 Q C 2.342 178.248 176.000 -0.157 0.000 0.978 234 Q CA 1.971 57.677 55.803 -0.161 0.000 0.844 234 Q CB -0.170 28.510 28.738 -0.097 0.000 0.898 234 Q HN 0.608 nan 8.270 nan 0.000 0.426 235 S N -0.350 115.224 115.700 -0.210 0.000 2.507 235 S HA 0.040 4.509 4.470 -0.001 0.000 0.235 235 S C 1.624 176.113 174.600 -0.185 0.000 0.988 235 S CA 0.680 58.772 58.200 -0.180 0.000 0.944 235 S CB 0.170 63.251 63.200 -0.198 0.000 0.762 235 S HN 0.336 nan 8.310 nan 0.000 0.526 236 A N 0.474 123.157 122.820 -0.229 0.000 2.348 236 A HA 0.650 4.969 4.320 -0.001 0.000 0.224 236 A C 1.519 179.032 177.584 -0.118 0.000 1.227 236 A CA 0.188 52.115 52.037 -0.183 0.000 0.885 236 A CB -0.737 18.120 19.000 -0.239 0.000 0.933 236 A HN 1.418 nan 8.150 nan 0.000 0.506 237 G N -0.658 108.076 108.800 -0.110 0.000 2.176 237 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.252 237 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.252 237 G C -0.066 174.794 174.900 -0.067 0.000 1.024 237 G CA 0.707 45.764 45.100 -0.071 0.000 0.755 237 G HN 0.485 nan 8.290 nan 0.000 0.507 238 L N -1.194 119.967 121.223 -0.102 0.000 2.256 238 L HA 0.946 5.286 4.340 -0.001 0.000 0.261 238 L C -0.180 176.612 176.870 -0.130 0.000 1.022 238 L CA -1.174 53.608 54.840 -0.097 0.000 0.828 238 L CB 2.027 44.027 42.059 -0.097 0.000 1.374 238 L HN 0.107 nan 8.230 nan 0.000 0.436 239 D N -1.133 119.189 120.400 -0.131 0.000 2.615 239 D HA 0.377 5.016 4.640 -0.001 0.000 0.267 239 D C -1.129 175.027 176.300 -0.240 0.000 1.236 239 D CA -0.452 53.465 54.000 -0.138 0.000 0.839 239 D CB 1.604 42.429 40.800 0.042 0.000 1.380 239 D HN 0.057 nan 8.370 nan 0.000 0.433 240 F N 0.915 120.777 119.950 -0.148 0.000 2.589 240 F HA 0.229 4.755 4.527 -0.001 0.000 0.352 240 F C -1.271 174.329 175.800 -0.333 0.000 1.168 240 F CA -0.573 57.172 58.000 -0.424 0.000 1.353 240 F CB -0.253 38.611 39.000 -0.227 0.000 1.116 240 F HN 0.053 nan 8.300 nan 0.000 0.608 241 P HA -0.016 nan 4.420 nan 0.000 0.268 241 P C 0.249 177.532 177.300 -0.027 0.000 1.208 241 P CA -0.169 62.865 63.100 -0.110 0.000 0.777 241 P CB 0.597 32.242 31.700 -0.092 0.000 0.875 242 K N 1.757 122.151 120.400 -0.010 0.000 2.097 242 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 242 K C 1.086 177.689 176.600 0.004 0.000 1.050 242 K CA 1.651 57.936 56.287 -0.002 0.000 0.938 242 K CB -0.841 31.659 32.500 -0.000 0.000 0.718 242 K HN 0.665 nan 8.250 nan 0.000 0.442 243 N N 0.706 119.414 118.700 0.013 0.000 2.362 243 N HA 0.043 4.782 4.740 -0.001 0.000 0.211 243 N C 0.119 175.649 175.510 0.032 0.000 1.170 243 N CA -0.090 52.973 53.050 0.022 0.000 0.828 243 N CB 0.082 38.585 38.487 0.027 0.000 1.034 243 N HN 0.080 nan 8.380 nan 0.000 0.475 244 I N -0.155 120.431 120.570 0.027 0.000 2.607 244 I HA 0.276 4.445 4.170 -0.001 0.000 0.290 244 I C -1.123 175.005 176.117 0.018 0.000 1.129 244 I CA -0.695 60.627 61.300 0.038 0.000 1.042 244 I CB 2.181 40.219 38.000 0.063 0.000 1.242 244 I HN -0.057 nan 8.210 nan 0.000 0.421 245 S N 5.584 121.299 115.700 0.025 0.000 2.548 245 S HA 0.402 4.871 4.470 -0.001 0.000 0.277 245 S C -0.394 174.201 174.600 -0.007 0.000 1.315 245 S CA -0.439 57.771 58.200 0.017 0.000 1.050 245 S CB 1.190 64.417 63.200 0.045 0.000 0.918 245 S HN 0.404 nan 8.310 nan 0.000 0.497 246 V N 5.582 125.471 119.914 -0.041 0.000 2.407 246 V HA 0.516 4.635 4.120 -0.001 0.000 0.291 246 V C 0.019 176.112 176.094 -0.002 0.000 1.018 246 V CA -0.630 61.597 62.300 -0.121 0.000 0.842 246 V CB 0.622 32.202 31.823 -0.404 0.000 0.996 246 V HN 0.813 nan 8.190 nan 0.000 0.426 247 I N 1.777 122.387 120.570 0.066 0.000 3.067 247 I HA 1.085 5.254 4.170 -0.001 0.000 0.312 247 I C -0.254 175.993 176.117 0.217 0.000 1.073 247 I CA -1.078 60.324 61.300 0.169 0.000 1.016 247 I CB 2.482 40.640 38.000 0.264 0.000 1.227 247 I HN 0.571 nan 8.210 nan 0.000 0.456 248 A N 2.854 125.800 122.820 0.209 0.000 2.408 248 A HA 0.744 5.064 4.320 -0.001 0.000 0.295 248 A C -1.366 176.213 177.584 -0.009 0.000 1.040 248 A CA -0.529 51.601 52.037 0.154 0.000 0.707 248 A CB 1.764 20.819 19.000 0.091 0.000 1.235 248 A HN 0.536 nan 8.150 nan 0.000 0.418 249 V N 1.821 121.516 119.914 -0.365 0.000 2.376 249 V HA 0.336 4.455 4.120 -0.001 0.000 0.287 249 V C -0.691 175.151 176.094 -0.420 0.000 1.015 249 V CA -0.467 61.456 62.300 -0.629 0.000 0.834 249 V CB 1.071 32.000 31.823 -1.491 0.000 1.001 249 V HN 0.983 nan 8.190 nan 0.000 0.428 250 C N 7.239 126.439 119.300 -0.166 0.000 2.291 250 C HA 0.479 4.938 4.460 -0.001 0.000 0.322 250 C C -2.465 172.502 174.990 -0.038 0.000 1.205 250 C CA -1.739 57.246 59.018 -0.054 0.000 1.495 250 C CB 0.699 28.463 27.740 0.041 0.000 2.127 250 C HN 0.574 nan 8.230 nan 0.000 0.452 251 P HA 0.120 nan 4.420 nan 0.000 0.271 251 P C 0.037 177.338 177.300 0.002 0.000 1.216 251 P CA 0.063 63.153 63.100 -0.017 0.000 0.771 251 P CB 0.561 32.245 31.700 -0.026 0.000 0.864 252 K N 2.354 122.773 120.400 0.031 0.000 3.277 252 K HA 0.404 4.723 4.320 -0.001 0.000 0.280 252 K C 0.667 177.269 176.600 0.005 0.000 1.182 252 K CA 0.020 56.318 56.287 0.019 0.000 1.219 252 K CB -0.522 32.005 32.500 0.045 0.000 1.373 252 K HN 0.683 nan 8.250 nan 0.000 0.392 253 G N 0.629 109.419 108.800 -0.017 0.000 2.523 253 G HA2 0.329 4.289 3.960 -0.001 0.000 0.291 253 G HA3 0.329 4.289 3.960 -0.001 0.000 0.291 253 G C -0.575 174.289 174.900 -0.060 0.000 1.450 253 G CA -1.069 44.013 45.100 -0.030 0.000 0.790 253 G HN 0.171 nan 8.290 nan 0.000 0.496 254 M N 0.928 120.476 119.600 -0.087 0.000 2.228 254 M HA 0.550 5.029 4.480 -0.001 0.000 0.326 254 M C 1.476 177.732 176.300 -0.073 0.000 1.122 254 M CA 0.258 55.492 55.300 -0.110 0.000 1.161 254 M CB 0.661 33.157 32.600 -0.174 0.000 1.437 254 M HN 0.758 nan 8.290 nan 0.000 0.465 255 G N 1.152 109.897 108.800 -0.091 0.000 2.631 255 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.219 255 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.219 255 G C -0.997 173.861 174.900 -0.070 0.000 1.214 255 G CA 1.041 46.085 45.100 -0.093 0.000 0.785 255 G HN 0.690 nan 8.290 nan 0.000 0.596 256 P HA -0.068 nan 4.420 nan 0.000 0.216 256 P C 2.192 179.504 177.300 0.020 0.000 1.150 256 P CA 1.811 64.899 63.100 -0.020 0.000 0.843 256 P CB -0.111 31.588 31.700 -0.001 0.000 0.787 257 S N -1.043 114.676 115.700 0.032 0.000 2.387 257 S HA -0.075 4.394 4.470 -0.001 0.000 0.226 257 S C 1.967 176.605 174.600 0.063 0.000 1.026 257 S CA 0.958 59.196 58.200 0.064 0.000 0.972 257 S CB -1.094 62.153 63.200 0.079 0.000 0.814 257 S HN -0.027 nan 8.310 nan 0.000 0.477 258 V N 1.986 121.923 119.914 0.038 0.000 2.469 258 V HA -0.165 3.954 4.120 -0.001 0.000 0.251 258 V C 2.482 178.624 176.094 0.080 0.000 1.064 258 V CA 1.888 64.217 62.300 0.050 0.000 1.066 258 V CB -0.592 31.236 31.823 0.009 0.000 0.667 258 V HN 0.283 nan 8.190 nan 0.000 0.461 259 R N 0.684 121.216 120.500 0.053 0.000 2.080 259 R HA -0.040 4.299 4.340 -0.001 0.000 0.222 259 R C 2.320 178.705 176.300 0.143 0.000 1.107 259 R CA 1.346 57.496 56.100 0.083 0.000 0.980 259 R CB -0.539 29.774 30.300 0.022 0.000 0.879 259 R HN 0.402 nan 8.270 nan 0.000 0.439 260 R N 0.236 120.797 120.500 0.101 0.000 2.091 260 R HA -0.018 4.321 4.340 -0.001 0.000 0.238 260 R C 1.697 178.062 176.300 0.108 0.000 1.136 260 R CA 1.853 58.011 56.100 0.097 0.000 0.959 260 R CB -0.564 29.783 30.300 0.078 0.000 0.856 260 R HN 0.377 nan 8.270 nan 0.000 0.437 261 L N -0.767 120.529 121.223 0.121 0.000 2.446 261 L HA 0.017 4.356 4.340 -0.001 0.000 0.219 261 L C 1.865 178.816 176.870 0.135 0.000 1.116 261 L CA 0.392 55.298 54.840 0.111 0.000 0.844 261 L CB -0.344 41.778 42.059 0.103 0.000 0.970 261 L HN 0.239 nan 8.230 nan 0.000 0.457 262 Y N -0.065 120.272 120.300 0.060 0.000 2.163 262 Y HA -0.210 4.339 4.550 -0.001 0.000 0.288 262 Y C 2.420 178.366 175.900 0.076 0.000 1.136 262 Y CA 1.574 59.719 58.100 0.076 0.000 1.147 262 Y CB -0.002 38.506 38.460 0.079 0.000 0.987 262 Y HN -0.106 nan 8.280 nan 0.000 0.509 263 V N 0.521 120.526 119.914 0.152 0.000 2.667 263 V HA -0.248 3.871 4.120 -0.001 0.000 0.252 263 V C 1.770 177.864 176.094 -0.001 0.000 1.065 263 V CA 2.161 64.499 62.300 0.064 0.000 1.083 263 V CB -0.284 31.617 31.823 0.130 0.000 0.692 263 V HN 0.573 nan 8.190 nan 0.000 0.468 264 Q N -0.374 119.435 119.800 0.014 0.000 2.245 264 Q HA 0.011 4.350 4.340 -0.001 0.000 0.201 264 Q C 2.104 178.086 176.000 -0.031 0.000 0.955 264 Q CA 1.066 56.870 55.803 0.002 0.000 0.870 264 Q CB -0.290 28.464 28.738 0.026 0.000 0.945 264 Q HN 0.705 nan 8.270 nan 0.000 0.461 265 G N 0.929 109.687 108.800 -0.069 0.000 2.598 265 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.215 265 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.215 265 G C 1.185 175.998 174.900 -0.144 0.000 1.131 265 G CA 0.241 45.278 45.100 -0.106 0.000 0.785 265 G HN 0.187 nan 8.290 nan 0.000 0.539 266 K N -0.077 120.233 120.400 -0.150 0.000 2.116 266 K HA 0.063 4.382 4.320 -0.001 0.000 0.203 266 K C 2.221 178.786 176.600 -0.058 0.000 1.052 266 K CA 0.670 56.891 56.287 -0.109 0.000 0.952 266 K CB 0.075 32.521 32.500 -0.089 0.000 0.729 266 K HN 0.136 nan 8.250 nan 0.000 0.446 267 E N 0.864 121.038 120.200 -0.042 0.000 2.024 267 E HA -0.027 4.322 4.350 -0.001 0.000 0.190 267 E C 0.790 177.375 176.600 -0.025 0.000 0.974 267 E CA 0.714 57.100 56.400 -0.023 0.000 0.810 267 E CB 0.043 29.737 29.700 -0.010 0.000 0.775 267 E HN 0.234 nan 8.360 nan 0.000 0.453 268 I N -0.469 120.087 120.570 -0.023 0.000 2.404 268 I HA 0.324 4.493 4.170 -0.001 0.000 0.293 268 I C -0.209 175.891 176.117 -0.027 0.000 0.992 268 I CA -0.950 60.340 61.300 -0.018 0.000 1.149 268 I CB 1.382 39.380 38.000 -0.004 0.000 1.315 268 I HN -0.223 nan 8.210 nan 0.000 0.446 269 N N 4.465 123.147 118.700 -0.030 0.000 2.483 269 N HA 0.453 5.192 4.740 -0.001 0.000 0.264 269 N C 1.153 176.647 175.510 -0.026 0.000 1.197 269 N CA 1.421 54.445 53.050 -0.043 0.000 0.927 269 N CB 0.638 39.099 38.487 -0.044 0.000 1.065 269 N HN 1.152 nan 8.380 nan 0.000 0.461 270 G N 1.293 110.068 108.800 -0.040 0.000 2.194 270 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.236 270 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.236 270 G C 0.150 175.061 174.900 0.018 0.000 0.987 270 G CA 0.039 45.129 45.100 -0.016 0.000 0.635 270 G HN 0.912 nan 8.290 nan 0.000 0.520 271 A N 0.156 122.983 122.820 0.011 0.000 2.440 271 A HA 0.871 5.190 4.320 -0.001 0.000 0.251 271 A C 1.113 178.725 177.584 0.047 0.000 1.089 271 A CA 1.401 53.458 52.037 0.033 0.000 0.779 271 A CB 0.660 19.673 19.000 0.021 0.000 1.022 271 A HN 2.368 nan 8.150 nan 0.000 0.492 272 G N 0.187 109.035 108.800 0.079 0.000 2.356 272 G HA2 0.378 4.337 3.960 -0.001 0.000 0.288 272 G HA3 0.378 4.337 3.960 -0.001 0.000 0.288 272 G C -1.478 173.488 174.900 0.109 0.000 1.302 272 G CA -0.744 44.419 45.100 0.106 0.000 0.887 272 G HN 0.702 nan 8.290 nan 0.000 0.521 273 I N 1.679 122.315 120.570 0.110 0.000 2.389 273 I HA 0.333 4.502 4.170 -0.001 0.000 0.288 273 I C -0.241 175.942 176.117 0.110 0.000 0.999 273 I CA -1.084 60.278 61.300 0.103 0.000 1.129 273 I CB 1.204 39.250 38.000 0.076 0.000 1.288 273 I HN 0.392 nan 8.210 nan 0.000 0.444 274 N N 3.495 122.288 118.700 0.154 0.000 2.416 274 N HA 0.223 4.962 4.740 -0.001 0.000 0.246 274 N C -0.276 175.335 175.510 0.168 0.000 1.260 274 N CA 0.328 53.503 53.050 0.208 0.000 0.897 274 N CB 0.760 39.459 38.487 0.354 0.000 1.110 274 N HN 0.509 nan 8.380 nan 0.000 0.439 275 S N -0.955 114.849 115.700 0.173 0.000 2.632 275 S HA 0.669 5.138 4.470 -0.001 0.000 0.289 275 S C -0.765 173.973 174.600 0.230 0.000 1.115 275 S CA -0.939 57.331 58.200 0.118 0.000 0.889 275 S CB 1.479 64.665 63.200 -0.022 0.000 1.116 275 S HN 0.585 nan 8.310 nan 0.000 0.486 276 S N 1.051 116.852 115.700 0.168 0.000 2.503 276 S HA 0.859 5.328 4.470 -0.001 0.000 0.301 276 S C -0.817 173.863 174.600 0.132 0.000 1.087 276 S CA -0.803 57.520 58.200 0.205 0.000 1.042 276 S CB 0.880 64.171 63.200 0.151 0.000 1.043 276 S HN 0.698 nan 8.310 nan 0.000 0.489 277 F N 0.488 120.403 119.950 -0.058 0.000 2.561 277 F HA 0.977 5.503 4.527 -0.002 0.000 0.321 277 F C -0.568 175.186 175.800 -0.076 0.000 1.065 277 F CA -1.109 56.819 58.000 -0.121 0.000 0.934 277 F CB 1.184 40.061 39.000 -0.204 0.000 1.215 277 F HN 0.936 nan 8.300 nan 0.000 0.471 278 A N 1.952 124.647 122.820 -0.209 0.000 2.539 278 A HA 0.768 5.087 4.320 -0.001 0.000 0.296 278 A C -2.034 175.537 177.584 -0.021 0.000 1.073 278 A CA -0.806 51.078 52.037 -0.254 0.000 0.700 278 A CB 1.792 20.730 19.000 -0.103 0.000 1.296 278 A HN 0.937 nan 8.150 nan 0.000 0.405 279 V N 2.364 122.268 119.914 -0.017 0.000 2.357 279 V HA 0.239 4.359 4.120 -0.001 0.000 0.281 279 V C 0.643 176.791 176.094 0.090 0.000 1.015 279 V CA -0.085 62.266 62.300 0.084 0.000 0.827 279 V CB 0.671 32.568 31.823 0.122 0.000 1.018 279 V HN 1.139 nan 8.190 nan 0.000 0.432 280 H N 3.485 122.543 119.070 -0.020 0.000 2.355 280 H HA 0.239 4.794 4.556 -0.001 0.000 0.303 280 H C 0.715 176.033 175.328 -0.016 0.000 1.061 280 H CA 1.569 57.601 56.048 -0.027 0.000 1.368 280 H CB 0.586 30.301 29.762 -0.079 0.000 1.412 280 H HN 0.631 nan 8.280 nan 0.000 0.523 281 Q N -0.193 119.568 119.800 -0.065 0.000 2.359 281 Q HA 0.297 4.636 4.340 -0.001 0.000 0.274 281 Q C -1.681 174.310 176.000 -0.015 0.000 1.074 281 Q CA -0.801 54.945 55.803 -0.095 0.000 0.810 281 Q CB 2.734 31.411 28.738 -0.102 0.000 1.342 281 Q HN 0.190 nan 8.270 nan 0.000 0.427 282 D N 1.555 121.952 120.400 -0.006 0.000 2.336 282 D HA 0.144 4.784 4.640 -0.001 0.000 0.248 282 D C 0.295 176.607 176.300 0.021 0.000 1.326 282 D CA -0.353 53.662 54.000 0.026 0.000 0.973 282 D CB 1.548 42.376 40.800 0.046 0.000 1.255 282 D HN 0.375 nan 8.370 nan 0.000 0.558 283 V N 1.088 121.016 119.914 0.023 0.000 2.871 283 V HA 0.103 4.223 4.120 -0.001 0.000 0.256 283 V C 0.885 176.995 176.094 0.026 0.000 1.082 283 V CA 1.655 63.967 62.300 0.020 0.000 1.105 283 V CB -0.210 31.626 31.823 0.021 0.000 0.713 283 V HN 0.436 nan 8.190 nan 0.000 0.473 284 D N -0.635 119.785 120.400 0.034 0.000 2.403 284 D HA 0.344 4.984 4.640 -0.001 0.000 0.280 284 D C 1.593 177.917 176.300 0.039 0.000 1.091 284 D CA 0.930 54.951 54.000 0.035 0.000 0.884 284 D CB 0.281 41.104 40.800 0.038 0.000 1.427 284 D HN 0.859 nan 8.370 nan 0.000 0.504 285 G N 0.387 109.216 108.800 0.048 0.000 2.151 285 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.140 285 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.140 285 G C 0.923 175.863 174.900 0.067 0.000 1.020 285 G CA 0.048 45.181 45.100 0.055 0.000 0.688 285 G HN 0.281 nan 8.290 nan 0.000 0.500 286 R N -0.021 120.523 120.500 0.073 0.000 2.254 286 R HA 0.460 4.799 4.340 -0.001 0.000 0.193 286 R C 2.852 179.217 176.300 0.109 0.000 0.929 286 R CA 0.879 57.030 56.100 0.085 0.000 1.038 286 R CB -0.019 30.331 30.300 0.084 0.000 1.009 286 R HN 0.384 nan 8.270 nan 0.000 0.512 287 A N 1.575 124.462 122.820 0.111 0.000 1.908 287 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 287 A C 2.250 179.927 177.584 0.156 0.000 1.181 287 A CA 2.301 54.418 52.037 0.133 0.000 0.627 287 A CB -1.008 18.061 19.000 0.115 0.000 0.818 287 A HN 0.436 nan 8.150 nan 0.000 0.445 288 T N -2.134 112.512 114.554 0.154 0.000 2.746 288 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 288 T C 1.433 176.187 174.700 0.090 0.000 1.039 288 T CA 1.552 63.753 62.100 0.169 0.000 1.142 288 T CB -0.445 68.557 68.868 0.223 0.000 0.866 288 T HN 0.388 nan 8.240 nan 0.000 0.444 289 D N 0.860 121.331 120.400 0.119 0.000 2.149 289 D HA 0.027 4.666 4.640 -0.001 0.000 0.201 289 D C 2.384 178.753 176.300 0.115 0.000 0.972 289 D CA 0.582 54.664 54.000 0.138 0.000 0.835 289 D CB -0.281 40.581 40.800 0.104 0.000 0.966 289 D HN 0.281 nan 8.370 nan 0.000 0.476 290 V N 1.610 121.605 119.914 0.135 0.000 2.343 290 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 290 V C 2.566 178.843 176.094 0.305 0.000 1.051 290 V CA 1.805 64.244 62.300 0.231 0.000 1.036 290 V CB -0.755 31.250 31.823 0.303 0.000 0.654 290 V HN 0.157 nan 8.190 nan 0.000 0.451 291 A N -0.234 122.725 122.820 0.232 0.000 1.883 291 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 291 A C 2.119 179.677 177.584 -0.043 0.000 1.186 291 A CA 1.916 54.087 52.037 0.223 0.000 0.624 291 A CB -0.637 18.486 19.000 0.206 0.000 0.822 291 A HN 0.403 nan 8.150 nan 0.000 0.444 292 L N -0.026 121.008 121.223 -0.315 0.000 2.042 292 L HA -0.101 4.238 4.340 -0.001 0.000 0.210 292 L C 2.750 179.300 176.870 -0.533 0.000 1.076 292 L CA 1.941 56.400 54.840 -0.636 0.000 0.749 292 L CB -1.410 40.153 42.059 -0.828 0.000 0.893 292 L HN 0.417 nan 8.230 nan 0.000 0.432 293 G N -1.697 106.987 108.800 -0.193 0.000 2.446 293 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.217 293 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.217 293 G C 1.398 176.440 174.900 0.236 0.000 1.168 293 G CA 0.744 45.785 45.100 -0.099 0.000 0.771 293 G HN 0.507 nan 8.290 nan 0.000 0.551 294 W N 1.680 123.140 121.300 0.267 0.000 2.338 294 W HA -0.100 4.559 4.660 -0.001 0.000 0.304 294 W C 2.758 179.347 176.519 0.118 0.000 1.212 294 W CA 1.433 58.967 57.345 0.315 0.000 1.264 294 W CB -0.920 28.687 29.460 0.245 0.000 1.142 294 W HN 0.216 nan 8.180 nan 0.000 0.512 295 S N 0.133 115.789 115.700 -0.073 0.000 2.356 295 S HA -0.216 4.253 4.470 -0.001 0.000 0.223 295 S C 2.074 176.626 174.600 -0.081 0.000 1.032 295 S CA 2.711 60.768 58.200 -0.239 0.000 1.005 295 S CB -1.063 61.950 63.200 -0.311 0.000 0.867 295 S HN 0.331 nan 8.310 nan 0.000 0.449 296 V N 0.190 120.066 119.914 -0.063 0.000 2.809 296 V HA 0.211 4.330 4.120 -0.001 0.000 0.256 296 V C 2.353 178.644 176.094 0.328 0.000 1.080 296 V CA 1.465 63.805 62.300 0.067 0.000 1.102 296 V CB -1.418 30.400 31.823 -0.008 0.000 0.705 296 V HN 0.480 nan 8.190 nan 0.000 0.475 297 A N 1.025 124.022 122.820 0.295 0.000 1.930 297 A HA 0.052 4.372 4.320 -0.001 0.000 0.217 297 A C 2.157 179.851 177.584 0.183 0.000 1.175 297 A CA 1.908 54.088 52.037 0.238 0.000 0.627 297 A CB -0.662 18.515 19.000 0.294 0.000 0.815 297 A HN 0.598 nan 8.150 nan 0.000 0.443 298 L N -1.045 120.279 121.223 0.169 0.000 2.549 298 L HA 0.073 4.413 4.340 -0.001 0.000 0.229 298 L C 1.566 178.562 176.870 0.210 0.000 1.158 298 L CA 0.590 55.480 54.840 0.084 0.000 0.842 298 L CB -0.664 41.418 42.059 0.040 0.000 0.952 298 L HN 0.614 nan 8.230 nan 0.000 0.452 299 G N 0.019 109.023 108.800 0.340 0.000 2.165 299 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.226 299 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.226 299 G C 0.101 175.108 174.900 0.178 0.000 1.035 299 G CA 0.096 45.430 45.100 0.391 0.000 0.744 299 G HN 0.287 nan 8.290 nan 0.000 0.501 300 S N 1.014 116.768 115.700 0.090 0.000 2.465 300 S HA 0.370 4.839 4.470 -0.001 0.000 0.280 300 S C -0.571 173.997 174.600 -0.053 0.000 1.232 300 S CA -0.361 57.852 58.200 0.021 0.000 1.066 300 S CB 1.527 64.710 63.200 -0.028 0.000 0.929 300 S HN 0.258 nan 8.310 nan 0.000 0.494 301 P HA 0.029 nan 4.420 nan 0.000 0.217 301 P C -0.245 176.706 177.300 -0.583 0.000 1.150 301 P CA 1.057 64.009 63.100 -0.247 0.000 0.832 301 P CB 0.166 31.832 31.700 -0.058 0.000 0.787 302 F N -1.945 117.948 119.950 -0.094 0.000 2.561 302 F HA 0.368 4.894 4.527 -0.002 0.000 0.313 302 F C -0.017 175.591 175.800 -0.320 0.000 1.126 302 F CA -0.587 57.262 58.000 -0.252 0.000 0.918 302 F CB 1.700 40.502 39.000 -0.329 0.000 1.199 302 F HN -0.518 nan 8.300 nan 0.000 0.444 303 T N 3.815 118.239 114.554 -0.216 0.000 2.786 303 T HA 0.560 4.909 4.350 -0.001 0.000 0.283 303 T C -0.774 173.836 174.700 -0.149 0.000 0.992 303 T CA -0.440 61.572 62.100 -0.146 0.000 0.954 303 T CB 0.390 69.150 68.868 -0.180 0.000 0.934 303 T HN 0.153 nan 8.240 nan 0.000 0.440 304 F N 1.560 121.636 119.950 0.211 0.000 2.399 304 F HA 0.675 5.201 4.527 -0.002 0.000 0.328 304 F C 0.722 176.640 175.800 0.197 0.000 1.084 304 F CA -1.158 56.969 58.000 0.211 0.000 1.053 304 F CB 0.973 40.050 39.000 0.127 0.000 1.209 304 F HN 0.559 nan 8.300 nan 0.000 0.502 305 A N 1.634 124.651 122.820 0.327 0.000 2.274 305 A HA 0.662 4.981 4.320 -0.001 0.000 0.309 305 A C -0.172 177.362 177.584 -0.083 0.000 1.226 305 A CA -0.220 51.769 52.037 -0.081 0.000 0.853 305 A CB 0.931 20.042 19.000 0.185 0.000 1.146 305 A HN 0.743 nan 8.150 nan 0.000 0.518 306 T N 0.273 114.662 114.554 -0.276 0.000 2.778 306 T HA 0.729 5.078 4.350 -0.001 0.000 0.293 306 T C -0.031 174.562 174.700 -0.178 0.000 1.144 306 T CA 0.257 62.275 62.100 -0.136 0.000 1.010 306 T CB 1.399 70.238 68.868 -0.049 0.000 1.325 306 T HN 1.126 nan 8.240 nan 0.000 0.515 307 T N 0.731 115.233 114.554 -0.088 0.000 2.943 307 T HA 0.503 4.852 4.350 -0.001 0.000 0.284 307 T C 1.506 176.194 174.700 -0.019 0.000 1.015 307 T CA -0.896 61.172 62.100 -0.052 0.000 1.042 307 T CB 0.924 69.778 68.868 -0.022 0.000 1.055 307 T HN 0.496 nan 8.240 nan 0.000 0.500 308 L N 0.202 121.440 121.223 0.024 0.000 2.083 308 L HA -0.054 4.286 4.340 -0.001 0.000 0.209 308 L C 2.820 179.750 176.870 0.100 0.000 1.083 308 L CA 1.709 56.576 54.840 0.045 0.000 0.752 308 L CB -0.348 41.702 42.059 -0.015 0.000 0.899 308 L HN 0.946 nan 8.230 nan 0.000 0.433 309 E N -0.497 119.739 120.200 0.060 0.000 2.047 309 E HA -0.271 4.078 4.350 -0.001 0.000 0.191 309 E C 2.131 178.518 176.600 -0.356 0.000 0.987 309 E CA 1.195 57.573 56.400 -0.037 0.000 0.799 309 E CB 0.089 29.793 29.700 0.005 0.000 0.752 309 E HN 0.509 nan 8.360 nan 0.000 0.449 310 Q N -0.023 119.673 119.800 -0.173 0.000 2.224 310 Q HA -0.154 4.185 4.340 -0.001 0.000 0.203 310 Q C 2.062 178.076 176.000 0.024 0.000 0.970 310 Q CA 0.805 56.549 55.803 -0.098 0.000 0.865 310 Q CB 0.068 28.735 28.738 -0.117 0.000 0.922 310 Q HN 0.214 nan 8.270 nan 0.000 0.445 311 E N 0.494 120.694 120.200 -0.001 0.000 2.017 311 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 311 E C 1.960 178.630 176.600 0.116 0.000 0.997 311 E CA 1.648 58.093 56.400 0.075 0.000 0.804 311 E CB -0.178 29.581 29.700 0.097 0.000 0.757 311 E HN 0.556 nan 8.360 nan 0.000 0.448 312 Y N 0.358 120.688 120.300 0.049 0.000 2.293 312 Y HA 0.052 4.601 4.550 -0.001 0.000 0.291 312 Y C 2.113 178.057 175.900 0.073 0.000 1.137 312 Y CA 1.107 59.231 58.100 0.040 0.000 1.202 312 Y CB -0.467 37.889 38.460 -0.173 0.000 0.990 312 Y HN -0.133 nan 8.280 nan 0.000 0.537 313 K N 0.743 120.811 120.400 -0.554 0.000 2.057 313 K HA -0.141 4.179 4.320 -0.001 0.000 0.207 313 K C 2.374 178.926 176.600 -0.080 0.000 1.049 313 K CA 1.875 57.916 56.287 -0.410 0.000 0.931 313 K CB -0.272 31.947 32.500 -0.469 0.000 0.714 313 K HN 0.584 nan 8.250 nan 0.000 0.440 314 S N 0.510 116.225 115.700 0.024 0.000 2.395 314 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 314 S C 1.741 176.406 174.600 0.108 0.000 1.027 314 S CA 1.340 59.544 58.200 0.007 0.000 0.965 314 S CB -0.095 63.005 63.200 -0.166 0.000 0.812 314 S HN 0.261 nan 8.310 nan 0.000 0.482 315 D N 1.525 122.004 120.400 0.132 0.000 2.103 315 D HA 0.058 4.697 4.640 -0.001 0.000 0.199 315 D C 1.799 178.171 176.300 0.119 0.000 0.978 315 D CA 1.161 55.237 54.000 0.128 0.000 0.829 315 D CB -0.300 40.629 40.800 0.214 0.000 0.981 315 D HN 0.456 nan 8.370 nan 0.000 0.464 316 I N -0.088 120.619 120.570 0.227 0.000 2.286 316 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 316 I C 1.962 178.140 176.117 0.102 0.000 1.115 316 I CA 0.647 62.066 61.300 0.198 0.000 1.392 316 I CB -0.308 37.872 38.000 0.300 0.000 1.065 316 I HN 0.112 nan 8.210 nan 0.000 0.418 317 F N 1.669 121.590 119.950 -0.049 0.000 2.206 317 F HA -0.008 4.518 4.527 -0.002 0.000 0.298 317 F C 2.262 178.010 175.800 -0.087 0.000 1.090 317 F CA 1.370 59.311 58.000 -0.100 0.000 1.323 317 F CB -0.822 38.155 39.000 -0.040 0.000 1.028 317 F HN -0.033 nan 8.300 nan 0.000 0.492 318 G N 0.835 109.502 108.800 -0.221 0.000 2.446 318 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.217 318 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.217 318 G C 1.487 176.200 174.900 -0.311 0.000 1.168 318 G CA 0.972 45.877 45.100 -0.325 0.000 0.771 318 G HN 0.604 nan 8.290 nan 0.000 0.551 319 E N 0.326 120.412 120.200 -0.191 0.000 2.204 319 E HA -0.076 4.273 4.350 -0.001 0.000 0.194 319 E C 2.376 178.892 176.600 -0.139 0.000 0.989 319 E CA 0.580 56.893 56.400 -0.145 0.000 0.824 319 E CB -0.236 29.407 29.700 -0.094 0.000 0.756 319 E HN 0.376 nan 8.360 nan 0.000 0.477 320 R N 0.996 121.385 120.500 -0.186 0.000 2.200 320 R HA 0.089 4.428 4.340 -0.001 0.000 0.208 320 R C 1.705 177.868 176.300 -0.228 0.000 1.033 320 R CA 0.727 56.742 56.100 -0.142 0.000 1.000 320 R CB 0.115 30.242 30.300 -0.289 0.000 0.906 320 R HN 0.217 nan 8.270 nan 0.000 0.462 321 G N 0.431 108.943 108.800 -0.480 0.000 3.086 321 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.159 321 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.159 321 G C 0.850 175.467 174.900 -0.471 0.000 1.654 321 G CA -0.428 44.321 45.100 -0.585 0.000 1.078 321 G HN 0.139 nan 8.290 nan 0.000 0.558 322 I N 0.112 120.434 120.570 -0.413 0.000 2.567 322 I HA -0.047 4.123 4.170 -0.001 0.000 0.257 322 I C 2.438 178.467 176.117 -0.146 0.000 1.184 322 I CA 0.570 61.698 61.300 -0.286 0.000 1.451 322 I CB -0.020 37.811 38.000 -0.283 0.000 1.089 322 I HN 0.266 nan 8.210 nan 0.000 0.441 323 L N -0.455 120.671 121.223 -0.163 0.000 2.027 323 L HA -0.158 4.181 4.340 -0.001 0.000 0.206 323 L C 1.907 178.734 176.870 -0.072 0.000 1.074 323 L CA 1.381 56.162 54.840 -0.099 0.000 0.745 323 L CB -0.265 41.721 42.059 -0.122 0.000 0.898 323 L HN 0.285 nan 8.230 nan 0.000 0.433 324 L N -3.166 118.006 121.223 -0.085 0.000 2.603 324 L HA 0.259 4.598 4.340 -0.001 0.000 0.189 324 L C 2.331 179.206 176.870 0.008 0.000 1.082 324 L CA 0.563 55.377 54.840 -0.043 0.000 0.921 324 L CB -0.880 41.144 42.059 -0.058 0.000 1.694 324 L HN 0.051 nan 8.230 nan 0.000 0.491 325 G N 0.564 109.359 108.800 -0.007 0.000 2.552 325 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 325 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 325 G C 1.645 176.526 174.900 -0.031 0.000 1.240 325 G CA 1.190 46.336 45.100 0.078 0.000 0.796 325 G HN 0.372 nan 8.290 nan 0.000 0.568 326 A N -0.410 122.161 122.820 -0.416 0.000 1.930 326 A HA 0.112 4.431 4.320 -0.001 0.000 0.217 326 A C 2.576 179.974 177.584 -0.309 0.000 1.175 326 A CA 1.825 53.330 52.037 -0.887 0.000 0.627 326 A CB -0.786 17.245 19.000 -1.615 0.000 0.815 326 A HN 0.551 nan 8.150 nan 0.000 0.443 327 V N -0.331 119.514 119.914 -0.114 0.000 2.515 327 V HA -0.256 3.863 4.120 -0.001 0.000 0.250 327 V C 2.290 178.487 176.094 0.172 0.000 1.058 327 V CA 2.618 64.967 62.300 0.083 0.000 1.064 327 V CB -0.741 31.175 31.823 0.155 0.000 0.675 327 V HN 0.833 nan 8.190 nan 0.000 0.461 328 H N -0.631 118.480 119.070 0.068 0.000 2.363 328 H HA -0.047 4.508 4.556 -0.001 0.000 0.301 328 H C 2.154 177.594 175.328 0.186 0.000 1.074 328 H CA 1.245 57.388 56.048 0.157 0.000 1.354 328 H CB -0.202 29.627 29.762 0.111 0.000 1.397 328 H HN 0.495 nan 8.280 nan 0.000 0.516 329 G N 1.902 110.725 108.800 0.038 0.000 2.514 329 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 329 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 329 G C 1.791 176.743 174.900 0.086 0.000 1.198 329 G CA 1.492 46.617 45.100 0.041 0.000 0.780 329 G HN 0.631 nan 8.290 nan 0.000 0.565 330 I N -1.447 119.176 120.570 0.088 0.000 2.394 330 I HA 0.003 4.172 4.170 -0.001 0.000 0.251 330 I C 2.392 178.582 176.117 0.121 0.000 1.136 330 I CA 0.687 62.046 61.300 0.099 0.000 1.425 330 I CB -0.411 37.635 38.000 0.076 0.000 1.079 330 I HN 0.019 nan 8.210 nan 0.000 0.425 331 V N 1.473 121.466 119.914 0.132 0.000 2.427 331 V HA -0.171 3.948 4.120 -0.001 0.000 0.248 331 V C 2.725 178.879 176.094 0.101 0.000 1.051 331 V CA 1.926 64.298 62.300 0.121 0.000 1.048 331 V CB -0.603 31.336 31.823 0.194 0.000 0.666 331 V HN 0.473 nan 8.190 nan 0.000 0.456 332 E N 0.028 120.303 120.200 0.125 0.000 2.106 332 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 332 E C 2.303 178.979 176.600 0.127 0.000 0.984 332 E CA 1.358 57.818 56.400 0.099 0.000 0.806 332 E CB -0.310 29.433 29.700 0.070 0.000 0.750 332 E HN 0.587 nan 8.360 nan 0.000 0.458 333 A N 1.133 124.037 122.820 0.140 0.000 1.898 333 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 333 A C 2.317 180.047 177.584 0.244 0.000 1.181 333 A CA 0.862 53.036 52.037 0.228 0.000 0.620 333 A CB -0.555 18.573 19.000 0.214 0.000 0.819 333 A HN 0.129 nan 8.150 nan 0.000 0.442 334 L N -2.190 119.095 121.223 0.103 0.000 2.072 334 L HA -0.073 4.266 4.340 -0.001 0.000 0.205 334 L C 2.426 178.942 176.870 -0.591 0.000 1.079 334 L CA 1.286 55.938 54.840 -0.314 0.000 0.752 334 L CB -0.440 41.459 42.059 -0.266 0.000 0.906 334 L HN 0.522 nan 8.230 nan 0.000 0.436 335 F N 0.713 120.459 119.950 -0.341 0.000 2.134 335 F HA -0.240 4.286 4.527 -0.001 0.000 0.299 335 F C 2.792 178.493 175.800 -0.166 0.000 1.097 335 F CA 1.564 59.427 58.000 -0.228 0.000 1.264 335 F CB -0.184 38.717 39.000 -0.164 0.000 1.001 335 F HN -0.130 nan 8.300 nan 0.000 0.479 336 R N 0.356 120.875 120.500 0.030 0.000 2.073 336 R HA -0.205 4.135 4.340 -0.001 0.000 0.234 336 R C 2.620 178.822 176.300 -0.164 0.000 1.134 336 R CA 1.761 57.846 56.100 -0.025 0.000 0.952 336 R CB -0.445 29.898 30.300 0.071 0.000 0.850 336 R HN 0.299 nan 8.270 nan 0.000 0.433 337 R N -0.601 119.758 120.500 -0.235 0.000 2.083 337 R HA -0.202 4.138 4.340 -0.001 0.000 0.237 337 R C 2.025 178.201 176.300 -0.206 0.000 1.137 337 R CA 1.914 57.827 56.100 -0.312 0.000 0.951 337 R CB -0.399 29.507 30.300 -0.658 0.000 0.851 337 R HN 0.260 nan 8.270 nan 0.000 0.434 338 Y N 0.898 121.000 120.300 -0.331 0.000 2.145 338 Y HA -0.171 4.378 4.550 -0.001 0.000 0.286 338 Y C 2.804 178.509 175.900 -0.323 0.000 1.145 338 Y CA 1.685 59.585 58.100 -0.333 0.000 1.148 338 Y CB -1.283 36.973 38.460 -0.339 0.000 0.981 338 Y HN 0.306 nan 8.280 nan 0.000 0.507 339 T N -2.029 112.367 114.554 -0.265 0.000 2.833 339 T HA -0.167 4.183 4.350 -0.001 0.000 0.269 339 T C 1.583 176.184 174.700 -0.166 0.000 1.054 339 T CA 1.509 63.435 62.100 -0.289 0.000 1.135 339 T CB -0.354 68.233 68.868 -0.468 0.000 0.869 339 T HN 0.386 nan 8.240 nan 0.000 0.466 340 E N 1.141 121.256 120.200 -0.142 0.000 2.274 340 E HA -0.056 4.293 4.350 -0.001 0.000 0.194 340 E C 2.198 178.747 176.600 -0.086 0.000 0.996 340 E CA 0.669 57.011 56.400 -0.096 0.000 0.840 340 E CB -0.084 29.565 29.700 -0.084 0.000 0.772 340 E HN 0.649 nan 8.360 nan 0.000 0.491 341 Q N -0.892 118.850 119.800 -0.096 0.000 2.403 341 Q HA 0.077 4.416 4.340 -0.001 0.000 0.203 341 Q C 0.823 176.771 176.000 -0.085 0.000 0.932 341 Q CA 0.432 56.181 55.803 -0.090 0.000 0.945 341 Q CB 0.954 29.630 28.738 -0.104 0.000 1.045 341 Q HN 0.368 nan 8.270 nan 0.000 0.511 342 G N 0.784 109.532 108.800 -0.087 0.000 2.179 342 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.220 342 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.220 342 G C 0.020 174.870 174.900 -0.084 0.000 0.990 342 G CA -0.172 44.883 45.100 -0.076 0.000 0.646 342 G HN 0.300 nan 8.290 nan 0.000 0.517 343 M N 1.616 121.153 119.600 -0.105 0.000 2.238 343 M HA 0.395 4.874 4.480 -0.001 0.000 0.347 343 M C 0.529 176.766 176.300 -0.104 0.000 1.173 343 M CA -0.263 54.971 55.300 -0.110 0.000 1.147 343 M CB 0.407 32.923 32.600 -0.141 0.000 1.547 343 M HN 0.245 nan 8.290 nan 0.000 0.455 344 D N 3.100 123.457 120.400 -0.072 0.000 2.488 344 D HA -0.059 4.580 4.640 -0.001 0.000 0.238 344 D C 0.785 177.056 176.300 -0.047 0.000 1.138 344 D CA 0.591 54.563 54.000 -0.047 0.000 0.873 344 D CB 0.805 41.592 40.800 -0.021 0.000 1.183 344 D HN 0.664 nan 8.370 nan 0.000 0.458 345 E N 2.085 122.271 120.200 -0.023 0.000 2.070 345 E HA -0.243 4.106 4.350 -0.001 0.000 0.197 345 E C 1.516 178.219 176.600 0.170 0.000 1.004 345 E CA 1.330 57.754 56.400 0.039 0.000 0.805 345 E CB 0.083 29.851 29.700 0.113 0.000 0.744 345 E HN 0.653 nan 8.360 nan 0.000 0.451 346 E N 0.260 120.529 120.200 0.115 0.000 2.106 346 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 346 E C 2.073 178.770 176.600 0.161 0.000 0.984 346 E CA 0.651 57.131 56.400 0.133 0.000 0.806 346 E CB -0.088 29.651 29.700 0.064 0.000 0.750 346 E HN 0.243 nan 8.360 nan 0.000 0.458 347 M N 0.617 120.273 119.600 0.093 0.000 2.175 347 M HA -0.139 4.340 4.480 -0.001 0.000 0.264 347 M C 2.287 178.639 176.300 0.086 0.000 1.063 347 M CA 1.411 56.753 55.300 0.070 0.000 1.119 347 M CB -0.055 32.554 32.600 0.014 0.000 1.377 347 M HN 0.129 nan 8.290 nan 0.000 0.415 348 A N -0.636 122.229 122.820 0.076 0.000 1.902 348 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 348 A C 1.929 179.692 177.584 0.299 0.000 1.181 348 A CA 1.539 53.632 52.037 0.094 0.000 0.623 348 A CB -1.260 17.595 19.000 -0.241 0.000 0.818 348 A HN 0.705 nan 8.150 nan 0.000 0.443 349 Y N 0.612 121.090 120.300 0.297 0.000 2.181 349 Y HA -0.205 4.344 4.550 -0.001 0.000 0.288 349 Y C 2.308 178.286 175.900 0.130 0.000 1.146 349 Y CA 2.287 60.525 58.100 0.230 0.000 1.164 349 Y CB -0.130 38.401 38.460 0.118 0.000 0.982 349 Y HN 0.265 nan 8.280 nan 0.000 0.515 350 K N -0.174 120.357 120.400 0.217 0.000 2.057 350 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 350 K C 1.646 178.291 176.600 0.074 0.000 1.049 350 K CA 1.397 57.759 56.287 0.125 0.000 0.931 350 K CB -0.191 32.393 32.500 0.140 0.000 0.714 350 K HN 0.296 nan 8.250 nan 0.000 0.440 351 N N 0.124 118.879 118.700 0.092 0.000 2.453 351 N HA -0.087 4.653 4.740 -0.001 0.000 0.183 351 N C 1.529 177.109 175.510 0.117 0.000 1.041 351 N CA 1.521 54.626 53.050 0.090 0.000 0.900 351 N CB 0.113 38.577 38.487 -0.040 0.000 0.961 351 N HN 0.417 nan 8.380 nan 0.000 0.443 352 T N -3.119 111.474 114.554 0.066 0.000 3.480 352 T HA 0.138 4.488 4.350 -0.001 0.000 0.229 352 T C 1.977 176.613 174.700 -0.106 0.000 0.944 352 T CA 0.233 62.339 62.100 0.010 0.000 1.388 352 T CB -0.583 68.289 68.868 0.006 0.000 1.180 352 T HN -0.193 nan 8.240 nan 0.000 0.414 353 V N 2.434 122.161 119.914 -0.312 0.000 2.323 353 V HA -0.073 4.047 4.120 -0.001 0.000 0.244 353 V C 3.009 178.996 176.094 -0.178 0.000 1.041 353 V CA 1.809 63.907 62.300 -0.337 0.000 1.025 353 V CB -0.704 30.669 31.823 -0.748 0.000 0.656 353 V HN 0.470 nan 8.190 nan 0.000 0.451 354 E N 0.776 120.865 120.200 -0.185 0.000 2.077 354 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 354 E C 2.328 178.987 176.600 0.098 0.000 0.989 354 E CA 1.562 57.993 56.400 0.053 0.000 0.800 354 E CB -0.705 29.045 29.700 0.084 0.000 0.746 354 E HN 0.610 nan 8.360 nan 0.000 0.452 355 G N 1.555 110.381 108.800 0.042 0.000 2.433 355 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 355 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 355 G C 1.786 176.685 174.900 -0.002 0.000 1.186 355 G CA 0.691 45.822 45.100 0.052 0.000 0.779 355 G HN 0.157 nan 8.290 nan 0.000 0.543 356 I N 1.399 121.921 120.570 -0.080 0.000 2.127 356 I HA -0.188 3.981 4.170 -0.001 0.000 0.241 356 I C 3.137 179.137 176.117 -0.195 0.000 1.075 356 I CA 1.880 63.023 61.300 -0.262 0.000 1.334 356 I CB -0.450 37.290 38.000 -0.434 0.000 1.040 356 I HN 0.352 nan 8.210 nan 0.000 0.405 357 T N -2.213 112.300 114.554 -0.068 0.000 3.085 357 T HA 0.114 4.464 4.350 -0.001 0.000 0.263 357 T C 1.393 176.089 174.700 -0.007 0.000 1.127 357 T CA 0.671 62.780 62.100 0.016 0.000 1.103 357 T CB -0.141 68.808 68.868 0.134 0.000 0.921 357 T HN 0.425 nan 8.240 nan 0.000 0.510 358 G N 1.015 109.804 108.800 -0.019 0.000 2.598 358 G HA2 0.327 4.286 3.960 -0.001 0.000 0.225 358 G HA3 0.327 4.286 3.960 -0.001 0.000 0.225 358 G C 1.116 175.975 174.900 -0.068 0.000 1.631 358 G CA 0.116 45.127 45.100 -0.147 0.000 0.821 358 G HN 0.383 nan 8.290 nan 0.000 0.610 359 I N 0.522 121.087 120.570 -0.008 0.000 2.333 359 I HA 0.056 4.225 4.170 -0.001 0.000 0.246 359 I C 2.604 178.744 176.117 0.039 0.000 1.106 359 I CA 0.760 62.071 61.300 0.017 0.000 1.411 359 I CB -0.015 38.008 38.000 0.039 0.000 1.082 359 I HN 0.195 nan 8.210 nan 0.000 0.420 360 I N 0.107 120.705 120.570 0.045 0.000 2.226 360 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 360 I C 2.578 178.751 176.117 0.092 0.000 1.100 360 I CA 1.319 62.669 61.300 0.083 0.000 1.374 360 I CB -0.447 37.593 38.000 0.066 0.000 1.057 360 I HN 0.165 nan 8.210 nan 0.000 0.413 361 S N 0.340 116.064 115.700 0.040 0.000 2.359 361 S HA -0.241 4.228 4.470 -0.001 0.000 0.224 361 S C 2.049 176.687 174.600 0.062 0.000 1.035 361 S CA 1.450 59.688 58.200 0.063 0.000 1.018 361 S CB -0.243 62.971 63.200 0.023 0.000 0.876 361 S HN 0.343 nan 8.310 nan 0.000 0.448 362 K N 0.459 120.877 120.400 0.031 0.000 2.057 362 K HA -0.100 4.220 4.320 -0.001 0.000 0.207 362 K C 2.059 178.686 176.600 0.046 0.000 1.049 362 K CA 1.573 57.876 56.287 0.027 0.000 0.931 362 K CB -0.304 32.197 32.500 0.003 0.000 0.714 362 K HN 0.322 nan 8.250 nan 0.000 0.440 363 T N 1.528 116.118 114.554 0.059 0.000 2.777 363 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 363 T C 1.883 176.634 174.700 0.085 0.000 1.040 363 T CA 1.386 63.527 62.100 0.067 0.000 1.141 363 T CB -0.131 68.783 68.868 0.077 0.000 0.868 363 T HN 0.177 nan 8.240 nan 0.000 0.444 364 I N 1.028 121.668 120.570 0.117 0.000 2.252 364 I HA -0.160 4.009 4.170 -0.001 0.000 0.245 364 I C 2.818 178.996 176.117 0.102 0.000 1.102 364 I CA 0.940 62.321 61.300 0.135 0.000 1.385 364 I CB -0.452 37.659 38.000 0.186 0.000 1.064 364 I HN 0.233 nan 8.210 nan 0.000 0.414 365 S N 0.871 116.623 115.700 0.087 0.000 2.359 365 S HA -0.221 4.248 4.470 -0.001 0.000 0.224 365 S C 2.079 176.711 174.600 0.054 0.000 1.035 365 S CA 1.611 59.852 58.200 0.067 0.000 1.018 365 S CB -0.080 63.155 63.200 0.059 0.000 0.876 365 S HN 0.335 nan 8.310 nan 0.000 0.448 366 K N -0.080 120.349 120.400 0.049 0.000 2.076 366 K HA 0.120 4.439 4.320 -0.001 0.000 0.204 366 K C 1.504 178.125 176.600 0.035 0.000 1.051 366 K CA 0.900 57.209 56.287 0.037 0.000 0.949 366 K CB 0.002 32.520 32.500 0.031 0.000 0.726 366 K HN 0.249 nan 8.250 nan 0.000 0.443 367 K N -0.525 119.900 120.400 0.042 0.000 2.553 367 K HA 0.144 4.464 4.320 -0.001 0.000 0.205 367 K C -0.252 176.376 176.600 0.046 0.000 1.168 367 K CA 0.138 56.445 56.287 0.034 0.000 1.043 367 K CB 1.909 34.421 32.500 0.020 0.000 0.967 367 K HN 0.303 nan 8.250 nan 0.000 0.585 368 G N 1.354 110.200 108.800 0.076 0.000 2.728 368 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.294 368 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.294 368 G C 0.435 175.421 174.900 0.144 0.000 1.342 368 G CA -0.284 44.885 45.100 0.115 0.000 0.866 368 G HN 0.045 nan 8.290 nan 0.000 0.534 369 M N -0.067 119.668 119.600 0.225 0.000 2.254 369 M HA 0.102 4.581 4.480 -0.001 0.000 0.265 369 M C 2.637 179.056 176.300 0.199 0.000 1.066 369 M CA 1.317 56.806 55.300 0.315 0.000 1.123 369 M CB -0.277 32.677 32.600 0.590 0.000 1.388 369 M HN 0.469 nan 8.290 nan 0.000 0.425 370 L N -0.580 120.577 121.223 -0.109 0.000 2.201 370 L HA -0.158 4.181 4.340 -0.001 0.000 0.212 370 L C 2.418 179.260 176.870 -0.048 0.000 1.105 370 L CA 0.708 55.411 54.840 -0.230 0.000 0.775 370 L CB -0.625 41.169 42.059 -0.442 0.000 0.913 370 L HN 0.265 nan 8.230 nan 0.000 0.440 371 E N 0.085 120.280 120.200 -0.008 0.000 2.150 371 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 371 E C 2.289 178.905 176.600 0.027 0.000 0.985 371 E CA 0.851 57.255 56.400 0.007 0.000 0.814 371 E CB 0.044 29.753 29.700 0.016 0.000 0.752 371 E HN 0.297 nan 8.360 nan 0.000 0.466 372 V N 0.639 120.602 119.914 0.081 0.000 2.295 372 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 372 V C 2.234 178.319 176.094 -0.015 0.000 1.049 372 V CA 1.980 64.339 62.300 0.097 0.000 1.024 372 V CB -0.742 31.218 31.823 0.229 0.000 0.648 372 V HN 0.267 nan 8.190 nan 0.000 0.447 373 Y N 1.843 121.997 120.300 -0.243 0.000 2.163 373 Y HA -0.153 4.396 4.550 -0.002 0.000 0.288 373 Y C 2.509 178.264 175.900 -0.243 0.000 1.136 373 Y CA 1.858 59.682 58.100 -0.460 0.000 1.147 373 Y CB -0.299 37.871 38.460 -0.483 0.000 0.987 373 Y HN 0.277 nan 8.280 nan 0.000 0.509 374 N N -0.198 118.426 118.700 -0.126 0.000 2.381 374 N HA -0.133 4.606 4.740 -0.001 0.000 0.182 374 N C 1.953 177.368 175.510 -0.157 0.000 1.025 374 N CA 1.322 54.278 53.050 -0.158 0.000 0.888 374 N CB -0.536 37.915 38.487 -0.061 0.000 0.965 374 N HN 0.522 nan 8.380 nan 0.000 0.438 375 S N 0.182 115.811 115.700 -0.119 0.000 2.453 375 S HA 0.048 4.517 4.470 -0.001 0.000 0.231 375 S C 1.025 175.561 174.600 -0.107 0.000 1.005 375 S CA -0.010 58.140 58.200 -0.084 0.000 0.949 375 S CB -0.311 62.867 63.200 -0.036 0.000 0.774 375 S HN 0.121 nan 8.310 nan 0.000 0.510 376 L N 1.587 122.708 121.223 -0.171 0.000 2.464 376 L HA 0.275 4.614 4.340 -0.001 0.000 0.264 376 L C 1.178 177.944 176.870 -0.173 0.000 1.199 376 L CA -0.341 54.400 54.840 -0.165 0.000 0.818 376 L CB 0.405 42.339 42.059 -0.208 0.000 1.102 376 L HN 0.112 nan 8.230 nan 0.000 0.473 377 T N -0.377 114.105 114.554 -0.120 0.000 2.788 377 T HA 0.014 4.364 4.350 -0.001 0.000 0.287 377 T C 1.141 175.772 174.700 -0.115 0.000 1.007 377 T CA -0.520 61.519 62.100 -0.101 0.000 1.005 377 T CB 0.728 69.555 68.868 -0.068 0.000 1.012 377 T HN 0.595 nan 8.240 nan 0.000 0.530 378 E N 1.173 121.321 120.200 -0.086 0.000 2.153 378 E HA -0.092 4.257 4.350 -0.001 0.000 0.194 378 E C 1.855 178.431 176.600 -0.040 0.000 0.988 378 E CA 1.132 57.488 56.400 -0.072 0.000 0.811 378 E CB -0.051 29.620 29.700 -0.047 0.000 0.746 378 E HN 0.648 nan 8.360 nan 0.000 0.466 379 E N -0.201 119.982 120.200 -0.029 0.000 2.230 379 E HA -0.008 4.341 4.350 -0.001 0.000 0.192 379 E C 1.943 178.548 176.600 0.009 0.000 0.987 379 E CA 0.885 57.283 56.400 -0.004 0.000 0.841 379 E CB -0.277 29.417 29.700 -0.010 0.000 0.783 379 E HN 0.251 nan 8.360 nan 0.000 0.481 380 G N 0.614 109.403 108.800 -0.019 0.000 2.408 380 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 380 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 380 G C 1.410 176.342 174.900 0.053 0.000 1.150 380 G CA 0.655 45.755 45.100 0.001 0.000 0.776 380 G HN 0.183 nan 8.290 nan 0.000 0.542 381 K N 0.381 120.752 120.400 -0.048 0.000 2.097 381 K HA -0.037 4.282 4.320 -0.001 0.000 0.206 381 K C 2.489 179.220 176.600 0.218 0.000 1.049 381 K CA 1.136 57.388 56.287 -0.059 0.000 0.933 381 K CB -0.099 32.205 32.500 -0.327 0.000 0.717 381 K HN 0.193 nan 8.250 nan 0.000 0.442 382 K N 0.573 121.061 120.400 0.147 0.000 2.148 382 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 382 K C 1.915 178.642 176.600 0.211 0.000 1.050 382 K CA 0.925 57.314 56.287 0.170 0.000 0.942 382 K CB 0.152 32.717 32.500 0.108 0.000 0.724 382 K HN 0.098 nan 8.250 nan 0.000 0.446 383 E N 0.073 120.404 120.200 0.219 0.000 2.112 383 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 383 E C 1.749 178.545 176.600 0.326 0.000 0.979 383 E CA 0.654 57.224 56.400 0.284 0.000 0.814 383 E CB -0.105 29.740 29.700 0.242 0.000 0.762 383 E HN 0.230 nan 8.360 nan 0.000 0.460 384 F N 2.889 122.947 119.950 0.180 0.000 2.102 384 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 384 F C 1.828 177.720 175.800 0.153 0.000 1.105 384 F CA 1.366 59.471 58.000 0.175 0.000 1.239 384 F CB -0.142 39.012 39.000 0.256 0.000 0.991 384 F HN -0.047 nan 8.300 nan 0.000 0.474 385 N N 0.778 119.759 118.700 0.469 0.000 2.166 385 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 385 N C 1.784 177.388 175.510 0.155 0.000 1.019 385 N CA 1.298 54.520 53.050 0.287 0.000 0.856 385 N CB -0.407 38.244 38.487 0.273 0.000 0.993 385 N HN 0.378 nan 8.380 nan 0.000 0.426 386 K N 0.741 121.241 120.400 0.166 0.000 2.032 386 K HA -0.038 4.281 4.320 -0.001 0.000 0.209 386 K C 2.056 178.696 176.600 0.066 0.000 1.048 386 K CA 1.403 57.785 56.287 0.158 0.000 0.927 386 K CB -0.145 32.504 32.500 0.248 0.000 0.712 386 K HN 0.136 nan 8.250 nan 0.000 0.441 387 A N 0.490 123.234 122.820 -0.127 0.000 1.873 387 A HA -0.197 4.122 4.320 -0.001 0.000 0.215 387 A C 2.063 179.462 177.584 -0.308 0.000 1.186 387 A CA 1.284 53.024 52.037 -0.495 0.000 0.616 387 A CB -0.789 17.574 19.000 -1.062 0.000 0.823 387 A HN 0.400 nan 8.150 nan 0.000 0.442 388 Y N 0.764 120.810 120.300 -0.423 0.000 2.097 388 Y HA -0.205 4.344 4.550 -0.001 0.000 0.282 388 Y C 2.983 178.776 175.900 -0.179 0.000 1.152 388 Y CA 1.937 59.814 58.100 -0.371 0.000 1.136 388 Y CB -0.618 37.562 38.460 -0.466 0.000 0.975 388 Y HN 0.321 nan 8.280 nan 0.000 0.498 389 S N -0.301 115.498 115.700 0.166 0.000 2.400 389 S HA -0.208 4.261 4.470 -0.001 0.000 0.232 389 S C 2.068 176.704 174.600 0.060 0.000 1.025 389 S CA 1.318 59.589 58.200 0.119 0.000 0.993 389 S CB -0.709 62.561 63.200 0.117 0.000 0.808 389 S HN 0.595 nan 8.310 nan 0.000 0.478 390 A N -0.226 122.617 122.820 0.039 0.000 2.030 390 A HA 0.237 4.556 4.320 -0.001 0.000 0.215 390 A C 2.229 179.814 177.584 0.001 0.000 1.164 390 A CA 1.202 53.274 52.037 0.058 0.000 0.697 390 A CB -0.334 18.730 19.000 0.108 0.000 0.827 390 A HN 0.536 nan 8.150 nan 0.000 0.457 391 S N -1.443 114.201 115.700 -0.093 0.000 2.483 391 S HA 0.106 4.575 4.470 -0.001 0.000 0.221 391 S C 1.435 175.929 174.600 -0.176 0.000 1.030 391 S CA 0.204 58.313 58.200 -0.151 0.000 0.925 391 S CB -0.407 62.661 63.200 -0.220 0.000 0.795 391 S HN 0.559 nan 8.310 nan 0.000 0.511 392 F N 2.187 121.883 119.950 -0.423 0.000 2.043 392 F HA -0.250 4.276 4.527 -0.001 0.000 0.297 392 F C 1.971 177.595 175.800 -0.293 0.000 1.121 392 F CA 1.754 59.438 58.000 -0.527 0.000 1.199 392 F CB -0.422 38.121 39.000 -0.762 0.000 0.968 392 F HN 0.143 nan 8.300 nan 0.000 0.478 393 Y N -0.015 120.335 120.300 0.083 0.000 2.200 393 Y HA -0.042 4.507 4.550 -0.001 0.000 0.290 393 Y C -0.394 175.474 175.900 -0.053 0.000 1.137 393 Y CA 0.852 58.965 58.100 0.021 0.000 1.163 393 Y CB -2.535 35.998 38.460 0.121 0.000 0.988 393 Y HN 0.128 nan 8.280 nan 0.000 0.518 394 P HA -0.161 nan 4.420 nan 0.000 0.216 394 P C 1.584 178.875 177.300 -0.014 0.000 1.150 394 P CA 1.896 65.009 63.100 0.022 0.000 0.843 394 P CB -0.102 31.588 31.700 -0.017 0.000 0.787 395 C N -1.567 117.706 119.300 -0.046 0.000 2.446 395 C HA -0.044 4.415 4.460 -0.001 0.000 0.277 395 C C 2.714 177.710 174.990 0.009 0.000 1.275 395 C CA 0.683 59.714 59.018 0.022 0.000 1.727 395 C CB -1.522 26.162 27.740 -0.094 0.000 2.010 395 C HN 0.259 nan 8.230 nan 0.000 0.486 396 M N 0.736 120.255 119.600 -0.135 0.000 2.159 396 M HA -0.152 4.328 4.480 -0.001 0.000 0.263 396 M C 1.961 178.303 176.300 0.071 0.000 1.063 396 M CA 1.897 57.141 55.300 -0.093 0.000 1.110 396 M CB -0.482 32.013 32.600 -0.176 0.000 1.374 396 M HN 0.326 nan 8.290 nan 0.000 0.411 397 D N 0.638 121.080 120.400 0.069 0.000 2.116 397 D HA -0.195 4.445 4.640 -0.001 0.000 0.193 397 D C 1.783 178.105 176.300 0.038 0.000 0.998 397 D CA 1.571 55.618 54.000 0.079 0.000 0.836 397 D CB -0.078 40.742 40.800 0.032 0.000 0.951 397 D HN 0.362 nan 8.370 nan 0.000 0.449 398 I N 0.430 120.961 120.570 -0.066 0.000 2.333 398 I HA -0.151 4.019 4.170 -0.001 0.000 0.246 398 I C 2.693 178.794 176.117 -0.027 0.000 1.106 398 I CA 0.430 61.623 61.300 -0.178 0.000 1.411 398 I CB -1.209 36.326 38.000 -0.776 0.000 1.082 398 I HN 0.096 nan 8.210 nan 0.000 0.420 399 L N -0.224 121.086 121.223 0.146 0.000 2.012 399 L HA -0.289 4.050 4.340 -0.001 0.000 0.210 399 L C 2.754 179.829 176.870 0.341 0.000 1.073 399 L CA 1.596 56.672 54.840 0.395 0.000 0.748 399 L CB -0.977 41.326 42.059 0.407 0.000 0.891 399 L HN 0.162 nan 8.230 nan 0.000 0.431 400 Y N 1.025 121.352 120.300 0.044 0.000 2.165 400 Y HA -0.300 4.249 4.550 -0.001 0.000 0.286 400 Y C 2.592 178.497 175.900 0.009 0.000 1.155 400 Y CA 1.880 59.966 58.100 -0.023 0.000 1.164 400 Y CB -0.491 37.950 38.460 -0.032 0.000 0.978 400 Y HN 0.329 nan 8.280 nan 0.000 0.513 401 E N -0.994 119.231 120.200 0.042 0.000 2.031 401 E HA -0.259 4.090 4.350 -0.001 0.000 0.193 401 E C 2.532 179.137 176.600 0.010 0.000 0.994 401 E CA 1.656 58.046 56.400 -0.016 0.000 0.800 401 E CB -0.629 29.115 29.700 0.074 0.000 0.752 401 E HN 0.505 nan 8.360 nan 0.000 0.447 402 C N 0.189 119.413 119.300 -0.127 0.000 2.432 402 C HA -0.179 4.280 4.460 -0.001 0.000 0.277 402 C C 2.626 177.546 174.990 -0.117 0.000 1.249 402 C CA 1.235 59.948 59.018 -0.508 0.000 1.725 402 C CB -1.428 25.763 27.740 -0.914 0.000 2.028 402 C HN 0.693 nan 8.230 nan 0.000 0.477 403 Y N 1.620 121.853 120.300 -0.110 0.000 2.128 403 Y HA -0.152 4.397 4.550 -0.001 0.000 0.284 403 Y C 2.437 178.252 175.900 -0.142 0.000 1.154 403 Y CA 2.402 60.330 58.100 -0.287 0.000 1.149 403 Y CB -0.489 37.538 38.460 -0.722 0.000 0.976 403 Y HN 0.452 nan 8.280 nan 0.000 0.505 404 E N -0.439 119.812 120.200 0.084 0.000 2.204 404 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 404 E C 1.560 178.140 176.600 -0.032 0.000 0.989 404 E CA 1.046 57.465 56.400 0.032 0.000 0.824 404 E CB -0.108 29.604 29.700 0.021 0.000 0.756 404 E HN 0.572 nan 8.360 nan 0.000 0.477 405 D N 0.166 120.559 120.400 -0.012 0.000 2.178 405 D HA -0.097 4.543 4.640 -0.001 0.000 0.202 405 D C 2.005 178.303 176.300 -0.004 0.000 0.974 405 D CA 0.624 54.645 54.000 0.035 0.000 0.841 405 D CB 0.121 41.017 40.800 0.161 0.000 0.953 405 D HN 0.027 nan 8.370 nan 0.000 0.478 406 V N 1.136 120.999 119.914 -0.086 0.000 2.379 406 V HA -0.130 3.989 4.120 -0.001 0.000 0.245 406 V C 2.479 178.509 176.094 -0.106 0.000 1.044 406 V CA 1.610 63.855 62.300 -0.091 0.000 1.036 406 V CB -0.607 31.121 31.823 -0.158 0.000 0.664 406 V HN 0.147 nan 8.190 nan 0.000 0.453 407 A N 0.841 123.510 122.820 -0.251 0.000 1.929 407 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 407 A C 2.476 180.030 177.584 -0.050 0.000 1.176 407 A CA 1.900 53.826 52.037 -0.184 0.000 0.628 407 A CB -0.629 18.229 19.000 -0.235 0.000 0.816 407 A HN 0.657 nan 8.150 nan 0.000 0.444 408 S N -1.945 113.729 115.700 -0.044 0.000 2.481 408 S HA 0.312 4.782 4.470 -0.001 0.000 0.231 408 S C 1.514 176.098 174.600 -0.026 0.000 0.996 408 S CA 1.250 59.436 58.200 -0.024 0.000 0.942 408 S CB -0.271 62.918 63.200 -0.018 0.000 0.768 408 S HN 1.891 nan 8.310 nan 0.000 0.520 409 G N 0.132 108.916 108.800 -0.026 0.000 2.179 409 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.220 409 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.220 409 G C 0.909 175.786 174.900 -0.039 0.000 0.990 409 G CA 0.362 45.429 45.100 -0.055 0.000 0.646 409 G HN 0.514 nan 8.290 nan 0.000 0.517 410 S N -0.017 115.680 115.700 -0.006 0.000 2.371 410 S HA 0.026 4.495 4.470 -0.001 0.000 0.224 410 S C 1.889 176.522 174.600 0.054 0.000 1.029 410 S CA 1.694 59.907 58.200 0.021 0.000 0.978 410 S CB -0.039 63.184 63.200 0.037 0.000 0.833 410 S HN 0.506 nan 8.310 nan 0.000 0.466 411 E N 1.463 121.709 120.200 0.077 0.000 2.107 411 E HA 0.040 4.389 4.350 -0.001 0.000 0.191 411 E C 1.757 178.430 176.600 0.121 0.000 0.982 411 E CA 0.797 57.281 56.400 0.139 0.000 0.809 411 E CB -0.330 29.469 29.700 0.165 0.000 0.756 411 E HN 0.490 nan 8.360 nan 0.000 0.459 412 I N 0.105 120.689 120.570 0.023 0.000 2.226 412 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 412 I C 2.466 178.600 176.117 0.028 0.000 1.100 412 I CA 1.060 62.303 61.300 -0.094 0.000 1.374 412 I CB -0.198 37.529 38.000 -0.455 0.000 1.057 412 I HN 0.051 nan 8.210 nan 0.000 0.413 413 R N 0.945 121.459 120.500 0.022 0.000 2.091 413 R HA -0.150 4.190 4.340 -0.001 0.000 0.238 413 R C 2.306 178.654 176.300 0.080 0.000 1.136 413 R CA 2.022 58.160 56.100 0.062 0.000 0.959 413 R CB -0.663 29.649 30.300 0.020 0.000 0.856 413 R HN 0.176 nan 8.270 nan 0.000 0.437 414 S N -0.689 115.059 115.700 0.080 0.000 2.368 414 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 414 S C 1.858 176.505 174.600 0.080 0.000 1.030 414 S CA 1.347 59.590 58.200 0.070 0.000 0.999 414 S CB -0.211 63.042 63.200 0.089 0.000 0.844 414 S HN 0.176 nan 8.310 nan 0.000 0.459 415 V N 1.277 121.284 119.914 0.155 0.000 2.358 415 V HA -0.118 4.001 4.120 -0.001 0.000 0.246 415 V C 2.278 178.442 176.094 0.117 0.000 1.047 415 V CA 1.317 63.721 62.300 0.174 0.000 1.035 415 V CB -0.694 31.338 31.823 0.348 0.000 0.658 415 V HN 0.329 nan 8.190 nan 0.000 0.452 416 V N -0.035 119.990 119.914 0.185 0.000 2.295 416 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 416 V C 2.300 178.405 176.094 0.017 0.000 1.049 416 V CA 2.052 64.424 62.300 0.119 0.000 1.024 416 V CB -0.564 31.357 31.823 0.163 0.000 0.648 416 V HN 0.443 nan 8.190 nan 0.000 0.447 417 L N 0.051 121.281 121.223 0.012 0.000 2.093 417 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 417 L C 2.721 179.515 176.870 -0.127 0.000 1.085 417 L CA 1.406 56.226 54.840 -0.033 0.000 0.755 417 L CB -0.840 41.210 42.059 -0.014 0.000 0.904 417 L HN 0.362 nan 8.230 nan 0.000 0.435 418 A N 0.537 123.258 122.820 -0.165 0.000 1.902 418 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 418 A C 2.424 179.543 177.584 -0.774 0.000 1.181 418 A CA 1.658 53.497 52.037 -0.330 0.000 0.623 418 A CB -1.183 17.694 19.000 -0.205 0.000 0.818 418 A HN 0.428 nan 8.150 nan 0.000 0.443 419 G N -0.552 107.892 108.800 -0.595 0.000 2.422 419 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.218 419 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.218 419 G C 1.739 176.342 174.900 -0.494 0.000 1.146 419 G CA 0.866 45.561 45.100 -0.674 0.000 0.769 419 G HN 0.574 nan 8.290 nan 0.000 0.547 420 R N -0.207 120.151 120.500 -0.236 0.000 2.148 420 R HA 0.101 4.440 4.340 -0.001 0.000 0.223 420 R C 2.306 178.566 176.300 -0.065 0.000 1.088 420 R CA 0.433 56.513 56.100 -0.033 0.000 0.985 420 R CB -0.098 30.213 30.300 0.020 0.000 0.880 420 R HN 0.216 nan 8.270 nan 0.000 0.451 421 R N -0.134 120.226 120.500 -0.233 0.000 2.319 421 R HA 0.022 4.361 4.340 -0.001 0.000 0.204 421 R C 0.638 176.910 176.300 -0.047 0.000 0.954 421 R CA 0.243 56.282 56.100 -0.101 0.000 1.066 421 R CB 0.156 30.406 30.300 -0.083 0.000 0.991 421 R HN 0.135 nan 8.270 nan 0.000 0.486 422 F N -0.536 119.292 119.950 -0.202 0.000 2.558 422 F HA 0.065 4.591 4.527 -0.001 0.000 0.298 422 F C 0.483 175.988 175.800 -0.491 0.000 1.119 422 F CA -0.136 57.625 58.000 -0.399 0.000 1.451 422 F CB -0.253 38.379 39.000 -0.612 0.000 1.091 422 F HN -0.124 nan 8.300 nan 0.000 0.563 423 Y N -0.688 119.719 120.300 0.179 0.000 2.549 423 Y HA 0.430 4.979 4.550 -0.001 0.000 0.339 423 Y C 0.409 176.348 175.900 0.066 0.000 1.053 423 Y CA -1.811 56.347 58.100 0.097 0.000 1.105 423 Y CB 0.527 39.033 38.460 0.076 0.000 1.258 423 Y HN -0.216 nan 8.280 nan 0.000 0.478 424 E N 2.632 122.951 120.200 0.199 0.000 2.366 424 E HA 0.201 4.550 4.350 -0.001 0.000 0.266 424 E C -0.830 175.838 176.600 0.113 0.000 1.015 424 E CA -0.183 56.284 56.400 0.113 0.000 0.906 424 E CB 0.523 30.262 29.700 0.065 0.000 0.979 424 E HN 0.507 nan 8.360 nan 0.000 0.443 425 K N 0.997 121.456 120.400 0.097 0.000 2.551 425 K HA 0.312 4.631 4.320 -0.001 0.000 0.269 425 K C -0.679 175.960 176.600 0.065 0.000 0.949 425 K CA -0.927 55.406 56.287 0.077 0.000 0.849 425 K CB 1.416 33.966 32.500 0.084 0.000 1.411 425 K HN 0.320 nan 8.250 nan 0.000 0.432 426 E N 0.239 120.468 120.200 0.048 0.000 2.476 426 E HA -0.259 4.090 4.350 -0.001 0.000 0.251 426 E C 0.581 177.207 176.600 0.042 0.000 1.130 426 E CA 0.828 57.252 56.400 0.040 0.000 0.736 426 E CB -1.846 27.877 29.700 0.039 0.000 1.298 426 E HN 1.142 nan 8.360 nan 0.000 0.400 427 G N -0.795 108.029 108.800 0.041 0.000 2.168 427 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.263 427 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.263 427 G C 0.230 175.160 174.900 0.049 0.000 0.977 427 G CA 0.782 45.904 45.100 0.037 0.000 0.659 427 G HN 0.295 nan 8.290 nan 0.000 0.533 428 L N 0.450 121.714 121.223 0.068 0.000 2.334 428 L HA 0.575 4.914 4.340 -0.001 0.000 0.270 428 L C -1.740 175.181 176.870 0.085 0.000 1.018 428 L CA -2.567 52.335 54.840 0.104 0.000 0.811 428 L CB 1.494 43.641 42.059 0.147 0.000 1.271 428 L HN -0.139 nan 8.230 nan 0.000 0.443 429 P HA 0.129 nan 4.420 nan 0.000 0.272 429 P C -1.085 176.106 177.300 -0.183 0.000 1.240 429 P CA -0.429 62.586 63.100 -0.142 0.000 0.791 429 P CB 0.515 31.991 31.700 -0.372 0.000 0.978 430 A N 1.111 123.785 122.820 -0.243 0.000 2.363 430 A HA 0.496 4.815 4.320 -0.001 0.000 0.270 430 A C -0.841 176.527 177.584 -0.360 0.000 1.121 430 A CA -0.121 51.834 52.037 -0.136 0.000 0.800 430 A CB -0.560 18.417 19.000 -0.038 0.000 1.052 430 A HN 0.408 nan 8.150 nan 0.000 0.493 431 F N 4.070 124.064 119.950 0.074 0.000 2.453 431 F HA 0.316 4.842 4.527 -0.001 0.000 0.358 431 F C -1.931 173.992 175.800 0.205 0.000 1.129 431 F CA -1.843 56.211 58.000 0.091 0.000 1.200 431 F CB 1.445 40.479 39.000 0.056 0.000 1.431 431 F HN 0.399 nan 8.300 nan 0.000 0.503 432 P HA 0.185 nan 4.420 nan 0.000 0.276 432 P C -0.230 177.121 177.300 0.085 0.000 1.252 432 P CA -0.487 62.649 63.100 0.061 0.000 0.802 432 P CB 1.038 32.649 31.700 -0.149 0.000 1.035 433 M N 0.691 120.271 119.600 -0.033 0.000 2.238 433 M HA 0.231 4.710 4.480 -0.001 0.000 0.350 433 M C 1.189 177.483 176.300 -0.010 0.000 1.321 433 M CA 0.427 55.740 55.300 0.022 0.000 1.097 433 M CB 0.179 32.769 32.600 -0.018 0.000 1.713 433 M HN 0.451 nan 8.290 nan 0.000 0.455 434 G N 2.767 111.584 108.800 0.028 0.000 2.537 434 G HA2 0.334 4.293 3.960 -0.001 0.000 0.297 434 G HA3 0.334 4.293 3.960 -0.001 0.000 0.297 434 G C -0.650 174.249 174.900 -0.002 0.000 1.310 434 G CA -0.901 44.208 45.100 0.016 0.000 1.027 434 G HN 0.793 nan 8.290 nan 0.000 0.505 435 N N -0.763 117.935 118.700 -0.003 0.000 2.530 435 N HA 0.325 5.064 4.740 -0.001 0.000 0.273 435 N C 0.903 176.405 175.510 -0.013 0.000 1.173 435 N CA -0.243 52.796 53.050 -0.019 0.000 0.967 435 N CB 1.703 40.182 38.487 -0.014 0.000 1.109 435 N HN 0.522 nan 8.380 nan 0.000 0.453 436 I N -2.167 118.366 120.570 -0.062 0.000 4.154 436 I HA 0.278 4.447 4.170 -0.001 0.000 0.334 436 I C 0.031 176.051 176.117 -0.161 0.000 1.371 436 I CA -0.131 61.130 61.300 -0.066 0.000 1.110 436 I CB 0.231 38.168 38.000 -0.105 0.000 1.085 436 I HN 0.365 nan 8.210 nan 0.000 0.398 437 D N 0.515 120.816 120.400 -0.166 0.000 2.538 437 D HA 0.042 4.681 4.640 -0.001 0.000 0.231 437 D C 1.025 177.366 176.300 0.068 0.000 1.229 437 D CA -0.089 53.791 54.000 -0.200 0.000 0.828 437 D CB 0.164 40.780 40.800 -0.307 0.000 1.035 437 D HN 0.467 nan 8.370 nan 0.000 0.495 438 Q N 0.433 120.288 119.800 0.091 0.000 2.282 438 Q HA 0.103 4.442 4.340 -0.001 0.000 0.206 438 Q C 0.577 176.652 176.000 0.126 0.000 0.878 438 Q CA 0.115 55.975 55.803 0.094 0.000 0.944 438 Q CB 0.897 29.668 28.738 0.055 0.000 1.100 438 Q HN 0.390 nan 8.270 nan 0.000 0.509 439 T N -2.682 111.995 114.554 0.205 0.000 2.732 439 T HA 0.144 4.493 4.350 -0.001 0.000 0.287 439 T C 1.075 175.834 174.700 0.099 0.000 0.993 439 T CA -0.748 61.454 62.100 0.170 0.000 0.966 439 T CB 1.439 70.440 68.868 0.222 0.000 1.047 439 T HN 0.080 nan 8.240 nan 0.000 0.527 440 R N 0.418 120.940 120.500 0.037 0.000 2.115 440 R HA -0.215 4.125 4.340 -0.001 0.000 0.239 440 R C 2.494 178.697 176.300 -0.162 0.000 1.133 440 R CA 2.577 58.668 56.100 -0.015 0.000 0.935 440 R CB -0.756 29.568 30.300 0.039 0.000 0.853 440 R HN 0.932 nan 8.270 nan 0.000 0.433 441 M N -1.840 117.494 119.600 -0.443 0.000 2.296 441 M HA -0.075 4.405 4.480 -0.001 0.000 0.265 441 M C 1.320 177.132 176.300 -0.814 0.000 1.064 441 M CA 1.596 56.282 55.300 -1.024 0.000 1.109 441 M CB -0.404 31.044 32.600 -1.921 0.000 1.396 441 M HN 0.155 nan 8.290 nan 0.000 0.430 442 W N 1.091 122.277 121.300 -0.189 0.000 2.737 442 W HA 0.183 4.842 4.660 -0.002 0.000 0.262 442 W C 2.240 178.654 176.519 -0.175 0.000 1.282 442 W CA -0.289 56.972 57.345 -0.139 0.000 1.386 442 W CB -0.007 29.422 29.460 -0.051 0.000 1.099 442 W HN 0.027 nan 8.180 nan 0.000 0.621 443 K N 0.441 120.851 120.400 0.017 0.000 2.103 443 K HA -0.065 4.255 4.320 -0.001 0.000 0.204 443 K C 1.791 178.319 176.600 -0.120 0.000 1.052 443 K CA 0.908 57.176 56.287 -0.032 0.000 0.945 443 K CB -0.794 31.701 32.500 -0.008 0.000 0.722 443 K HN 0.126 nan 8.250 nan 0.000 0.443 444 V N 0.817 120.615 119.914 -0.193 0.000 2.343 444 V HA -0.174 3.945 4.120 -0.001 0.000 0.247 444 V C 2.425 178.248 176.094 -0.451 0.000 1.051 444 V CA 2.161 64.323 62.300 -0.231 0.000 1.036 444 V CB -0.946 30.791 31.823 -0.144 0.000 0.654 444 V HN 0.403 nan 8.190 nan 0.000 0.451 445 G N -0.732 107.586 108.800 -0.804 0.000 2.432 445 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 445 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 445 G C 1.462 176.086 174.900 -0.459 0.000 1.135 445 G CA 0.830 45.184 45.100 -1.245 0.000 0.767 445 G HN 0.572 nan 8.290 nan 0.000 0.550 446 E N 0.047 120.101 120.200 -0.244 0.000 2.072 446 E HA -0.041 4.308 4.350 -0.001 0.000 0.191 446 E C 2.467 178.997 176.600 -0.116 0.000 0.985 446 E CA 0.714 57.037 56.400 -0.128 0.000 0.801 446 E CB -0.036 29.619 29.700 -0.075 0.000 0.750 446 E HN 0.326 nan 8.360 nan 0.000 0.452 447 K N 0.350 120.675 120.400 -0.125 0.000 2.148 447 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 447 K C 2.092 178.644 176.600 -0.081 0.000 1.050 447 K CA 0.720 56.956 56.287 -0.086 0.000 0.942 447 K CB 0.108 32.566 32.500 -0.070 0.000 0.724 447 K HN -0.009 nan 8.250 nan 0.000 0.446 448 V N 1.177 121.017 119.914 -0.124 0.000 2.307 448 V HA -0.227 3.892 4.120 -0.001 0.000 0.245 448 V C 2.138 178.208 176.094 -0.042 0.000 1.045 448 V CA 1.665 63.924 62.300 -0.068 0.000 1.024 448 V CB -0.379 31.406 31.823 -0.065 0.000 0.651 448 V HN 0.276 nan 8.190 nan 0.000 0.449 449 R N 0.544 121.002 120.500 -0.069 0.000 2.148 449 R HA -0.079 4.260 4.340 -0.001 0.000 0.223 449 R C 2.546 178.817 176.300 -0.049 0.000 1.088 449 R CA 1.319 57.385 56.100 -0.056 0.000 0.985 449 R CB -0.385 29.874 30.300 -0.069 0.000 0.880 449 R HN 0.709 nan 8.270 nan 0.000 0.451 450 S N -0.581 115.088 115.700 -0.051 0.000 2.399 450 S HA -0.122 4.347 4.470 -0.001 0.000 0.231 450 S C 1.816 176.400 174.600 -0.027 0.000 1.022 450 S CA 1.679 59.855 58.200 -0.041 0.000 0.983 450 S CB -0.041 63.135 63.200 -0.041 0.000 0.803 450 S HN 0.182 nan 8.310 nan 0.000 0.480 451 T N 0.615 115.157 114.554 -0.021 0.000 3.084 451 T HA 0.285 4.634 4.350 -0.001 0.000 0.270 451 T C 0.342 175.041 174.700 -0.002 0.000 1.008 451 T CA -0.679 61.414 62.100 -0.010 0.000 0.900 451 T CB -0.253 68.610 68.868 -0.008 0.000 1.084 451 T HN 0.444 nan 8.240 nan 0.000 0.538 452 R N 2.385 122.883 120.500 -0.004 0.000 2.442 452 R HA 0.294 4.633 4.340 -0.001 0.000 0.291 452 R C -2.474 173.835 176.300 0.015 0.000 1.069 452 R CA -1.192 54.913 56.100 0.009 0.000 1.022 452 R CB 0.297 30.596 30.300 -0.001 0.000 0.976 452 R HN 0.142 nan 8.270 nan 0.000 0.443 453 P HA -0.029 nan 4.420 nan 0.000 0.268 453 P C -0.962 176.362 177.300 0.041 0.000 1.205 453 P CA -0.069 63.049 63.100 0.030 0.000 0.771 453 P CB 0.617 32.337 31.700 0.034 0.000 0.858 454 E N 2.631 122.851 120.200 0.033 0.000 2.392 454 E HA -0.046 4.304 4.350 -0.001 0.000 0.264 454 E C 0.224 176.853 176.600 0.048 0.000 1.024 454 E CA 0.062 56.487 56.400 0.042 0.000 0.903 454 E CB 0.043 29.759 29.700 0.027 0.000 0.963 454 E HN 0.401 nan 8.360 nan 0.000 0.432 455 N N 1.828 120.565 118.700 0.062 0.000 2.976 455 N HA -0.188 4.551 4.740 -0.001 0.000 0.206 455 N C -0.706 174.844 175.510 0.067 0.000 0.910 455 N CA 0.953 54.035 53.050 0.053 0.000 1.030 455 N CB -0.994 37.514 38.487 0.035 0.000 1.019 455 N HN 0.642 nan 8.380 nan 0.000 0.577 456 D N 1.001 121.461 120.400 0.099 0.000 2.424 456 D HA 0.199 4.839 4.640 -0.001 0.000 0.244 456 D C 0.972 177.379 176.300 0.178 0.000 1.134 456 D CA 0.183 54.256 54.000 0.121 0.000 0.881 456 D CB 0.783 41.655 40.800 0.120 0.000 1.191 456 D HN 0.242 nan 8.370 nan 0.000 0.445 457 L N 2.445 123.744 121.223 0.128 0.000 2.966 457 L HA 0.290 4.629 4.340 -0.001 0.000 0.262 457 L C 1.109 178.057 176.870 0.130 0.000 1.165 457 L CA 0.099 54.989 54.840 0.083 0.000 0.978 457 L CB 0.367 42.423 42.059 -0.005 0.000 1.337 457 L HN 0.699 nan 8.230 nan 0.000 0.563 458 G N 1.410 110.296 108.800 0.144 0.000 2.781 458 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.683 458 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.683 458 G C -2.928 172.027 174.900 0.092 0.000 1.390 458 G CA -0.911 44.264 45.100 0.125 0.000 0.850 458 G HN -0.041 nan 8.290 nan 0.000 0.557 459 P HA 0.475 nan 4.420 nan 0.000 0.282 459 P C -0.445 176.919 177.300 0.106 0.000 1.249 459 P CA -0.672 62.481 63.100 0.088 0.000 0.806 459 P CB 1.537 33.292 31.700 0.093 0.000 0.984 460 L N 3.834 125.114 121.223 0.095 0.000 2.302 460 L HA 0.303 4.642 4.340 -0.001 0.000 0.285 460 L C -0.327 176.626 176.870 0.140 0.000 1.090 460 L CA -0.627 54.284 54.840 0.117 0.000 0.866 460 L CB -1.354 40.757 42.059 0.087 0.000 1.244 460 L HN 0.402 nan 8.230 nan 0.000 0.435 461 H N 6.573 125.706 119.070 0.105 0.000 2.620 461 H HA 0.340 4.895 4.556 -0.001 0.000 0.313 461 H C -1.687 173.757 175.328 0.194 0.000 1.075 461 H CA -1.262 54.859 56.048 0.121 0.000 1.397 461 H CB 1.341 31.174 29.762 0.118 0.000 1.446 461 H HN 0.483 nan 8.280 nan 0.000 0.493 462 P HA -0.188 nan 4.420 nan 0.000 0.217 462 P C 1.307 178.847 177.300 0.400 0.000 1.151 462 P CA 1.006 64.258 63.100 0.254 0.000 0.828 462 P CB 0.108 31.883 31.700 0.125 0.000 0.788 463 F N 1.217 121.379 119.950 0.353 0.000 2.128 463 F HA -0.118 4.408 4.527 -0.001 0.000 0.295 463 F C 2.171 178.169 175.800 0.330 0.000 1.100 463 F CA 1.804 60.017 58.000 0.355 0.000 1.260 463 F CB -0.940 38.316 39.000 0.426 0.000 1.009 463 F HN -0.151 nan 8.300 nan 0.000 0.476 464 T N 0.480 115.415 114.554 0.635 0.000 2.684 464 T HA -0.230 4.119 4.350 -0.001 0.000 0.267 464 T C 2.184 177.016 174.700 0.219 0.000 1.036 464 T CA 1.483 63.800 62.100 0.362 0.000 1.148 464 T CB -0.883 68.181 68.868 0.328 0.000 0.863 464 T HN 0.355 nan 8.240 nan 0.000 0.436 465 A N 1.398 124.384 122.820 0.275 0.000 1.933 465 A HA 0.133 4.452 4.320 -0.001 0.000 0.218 465 A C 2.645 180.259 177.584 0.051 0.000 1.175 465 A CA 1.810 54.031 52.037 0.307 0.000 0.628 465 A CB -1.385 17.898 19.000 0.472 0.000 0.814 465 A HN 0.518 nan 8.150 nan 0.000 0.444 466 G N -0.390 108.210 108.800 -0.334 0.000 2.446 466 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.217 466 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.217 466 G C 1.512 176.061 174.900 -0.586 0.000 1.168 466 G CA 1.397 45.874 45.100 -1.038 0.000 0.771 466 G HN 0.334 nan 8.290 nan 0.000 0.551 467 V N -0.337 119.370 119.914 -0.345 0.000 2.307 467 V HA -0.163 3.956 4.120 -0.001 0.000 0.245 467 V C 2.281 178.306 176.094 -0.116 0.000 1.045 467 V CA 1.709 63.878 62.300 -0.219 0.000 1.024 467 V CB -0.759 31.015 31.823 -0.080 0.000 0.651 467 V HN 0.434 nan 8.190 nan 0.000 0.449 468 Y N 0.759 120.990 120.300 -0.116 0.000 2.181 468 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 468 Y C 2.373 178.243 175.900 -0.050 0.000 1.146 468 Y CA 1.761 59.827 58.100 -0.057 0.000 1.164 468 Y CB -0.289 38.181 38.460 0.018 0.000 0.982 468 Y HN 0.038 nan 8.280 nan 0.000 0.515 469 V N 0.066 119.966 119.914 -0.024 0.000 2.453 469 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 469 V C 2.633 178.653 176.094 -0.123 0.000 1.048 469 V CA 1.502 63.797 62.300 -0.009 0.000 1.049 469 V CB -1.498 30.473 31.823 0.246 0.000 0.672 469 V HN 0.529 nan 8.190 nan 0.000 0.457 470 A N 0.212 122.827 122.820 -0.342 0.000 1.883 470 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 470 A C 2.189 179.526 177.584 -0.413 0.000 1.186 470 A CA 2.264 53.893 52.037 -0.680 0.000 0.624 470 A CB -0.647 17.844 19.000 -0.848 0.000 0.822 470 A HN 0.468 nan 8.150 nan 0.000 0.444 471 L N -0.815 120.195 121.223 -0.354 0.000 2.012 471 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 471 L C 2.524 179.201 176.870 -0.322 0.000 1.073 471 L CA 2.688 57.329 54.840 -0.332 0.000 0.748 471 L CB -0.422 41.445 42.059 -0.321 0.000 0.891 471 L HN 0.534 nan 8.230 nan 0.000 0.431 472 M N -1.744 117.651 119.600 -0.341 0.000 2.086 472 M HA -0.243 4.236 4.480 -0.001 0.000 0.261 472 M C 2.052 178.298 176.300 -0.089 0.000 1.067 472 M CA 1.846 56.997 55.300 -0.249 0.000 1.116 472 M CB -0.026 32.425 32.600 -0.248 0.000 1.348 472 M HN 0.305 nan 8.290 nan 0.000 0.407 473 M N -0.150 119.459 119.600 0.015 0.000 2.175 473 M HA -0.072 4.407 4.480 -0.001 0.000 0.264 473 M C 2.403 178.766 176.300 0.105 0.000 1.063 473 M CA 1.680 57.099 55.300 0.198 0.000 1.119 473 M CB -1.601 31.300 32.600 0.501 0.000 1.377 473 M HN 0.459 nan 8.290 nan 0.000 0.415 474 A N -0.378 122.303 122.820 -0.232 0.000 1.902 474 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 474 A C 2.143 179.589 177.584 -0.230 0.000 1.181 474 A CA 1.861 53.554 52.037 -0.573 0.000 0.623 474 A CB -0.762 17.737 19.000 -0.835 0.000 0.818 474 A HN 0.602 nan 8.150 nan 0.000 0.443 475 Q N -0.422 119.299 119.800 -0.132 0.000 2.079 475 Q HA -0.104 4.235 4.340 -0.001 0.000 0.200 475 Q C 1.920 177.913 176.000 -0.011 0.000 0.974 475 Q CA 1.465 57.266 55.803 -0.003 0.000 0.840 475 Q CB -0.250 28.450 28.738 -0.064 0.000 0.898 475 Q HN 0.695 nan 8.270 nan 0.000 0.430 476 I N 0.732 121.278 120.570 -0.040 0.000 2.163 476 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 476 I C 2.404 178.474 176.117 -0.078 0.000 1.085 476 I CA 1.544 62.817 61.300 -0.046 0.000 1.347 476 I CB -0.240 37.760 38.000 -0.001 0.000 1.044 476 I HN 0.301 nan 8.210 nan 0.000 0.408 477 E N 0.792 120.969 120.200 -0.038 0.000 2.077 477 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 477 E C 2.097 178.603 176.600 -0.156 0.000 0.989 477 E CA 1.390 57.762 56.400 -0.046 0.000 0.800 477 E CB -0.196 29.555 29.700 0.085 0.000 0.746 477 E HN 0.256 nan 8.360 nan 0.000 0.452 478 V N 0.642 120.437 119.914 -0.199 0.000 2.295 478 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 478 V C 2.481 178.292 176.094 -0.472 0.000 1.049 478 V CA 1.795 63.890 62.300 -0.342 0.000 1.024 478 V CB -0.496 31.152 31.823 -0.290 0.000 0.648 478 V HN 0.308 nan 8.190 nan 0.000 0.447 479 L N -0.552 120.436 121.223 -0.391 0.000 2.141 479 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 479 L C 2.693 179.413 176.870 -0.250 0.000 1.094 479 L CA 1.639 56.243 54.840 -0.393 0.000 0.763 479 L CB -0.512 41.368 42.059 -0.298 0.000 0.908 479 L HN 0.261 nan 8.230 nan 0.000 0.437 480 R N 0.208 120.553 120.500 -0.258 0.000 2.062 480 R HA -0.133 4.206 4.340 -0.001 0.000 0.231 480 R C 2.266 178.426 176.300 -0.233 0.000 1.136 480 R CA 1.188 57.124 56.100 -0.273 0.000 0.948 480 R CB 0.074 30.220 30.300 -0.257 0.000 0.845 480 R HN 0.059 nan 8.270 nan 0.000 0.430 481 K N 0.393 120.658 120.400 -0.226 0.000 2.288 481 K HA -0.049 4.270 4.320 -0.001 0.000 0.201 481 K C 1.407 177.875 176.600 -0.220 0.000 1.048 481 K CA 0.806 56.970 56.287 -0.204 0.000 0.956 481 K CB 0.193 32.566 32.500 -0.212 0.000 0.746 481 K HN 0.110 nan 8.250 nan 0.000 0.461 482 K N -0.224 120.003 120.400 -0.289 0.000 2.444 482 K HA 0.049 4.368 4.320 -0.001 0.000 0.193 482 K C 0.663 177.140 176.600 -0.206 0.000 1.024 482 K CA 0.482 56.602 56.287 -0.278 0.000 1.077 482 K CB 0.493 32.628 32.500 -0.608 0.000 0.833 482 K HN 0.343 nan 8.250 nan 0.000 0.517 483 G N 1.990 110.667 108.800 -0.205 0.000 2.140 483 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.211 483 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.211 483 G C -0.243 174.474 174.900 -0.305 0.000 1.013 483 G CA -0.339 44.621 45.100 -0.233 0.000 0.705 483 G HN 0.392 nan 8.290 nan 0.000 0.508 484 H N 0.716 119.655 119.070 -0.218 0.000 2.482 484 H HA 0.524 5.079 4.556 -0.001 0.000 0.344 484 H C 1.141 176.324 175.328 -0.242 0.000 1.151 484 H CA 0.391 56.326 56.048 -0.189 0.000 1.300 484 H CB 1.584 31.246 29.762 -0.167 0.000 1.494 484 H HN 0.491 nan 8.280 nan 0.000 0.542 485 S N 1.570 117.236 115.700 -0.057 0.000 2.593 485 S HA -0.019 4.450 4.470 -0.001 0.000 0.269 485 S C 1.038 175.580 174.600 -0.097 0.000 1.334 485 S CA -0.469 57.681 58.200 -0.083 0.000 1.015 485 S CB 0.519 63.726 63.200 0.011 0.000 0.912 485 S HN 0.525 nan 8.310 nan 0.000 0.541 486 Y N 1.722 121.979 120.300 -0.071 0.000 2.181 486 Y HA -0.150 4.399 4.550 -0.001 0.000 0.288 486 Y C 3.142 178.986 175.900 -0.093 0.000 1.146 486 Y CA 1.954 60.011 58.100 -0.071 0.000 1.164 486 Y CB -0.811 37.620 38.460 -0.048 0.000 0.982 486 Y HN 0.929 nan 8.280 nan 0.000 0.515 487 S N -0.443 115.291 115.700 0.056 0.000 2.370 487 S HA -0.278 4.191 4.470 -0.001 0.000 0.226 487 S C 1.944 176.383 174.600 -0.268 0.000 1.033 487 S CA 1.552 59.658 58.200 -0.157 0.000 1.011 487 S CB -0.559 62.562 63.200 -0.132 0.000 0.852 487 S HN 0.621 nan 8.310 nan 0.000 0.457 488 E N 0.875 120.991 120.200 -0.139 0.000 2.107 488 E HA -0.031 4.318 4.350 -0.001 0.000 0.191 488 E C 1.974 178.507 176.600 -0.113 0.000 0.982 488 E CA 1.077 57.408 56.400 -0.115 0.000 0.809 488 E CB -0.233 29.459 29.700 -0.012 0.000 0.756 488 E HN 0.671 nan 8.360 nan 0.000 0.459 489 I N 0.631 121.141 120.570 -0.099 0.000 2.179 489 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 489 I C 2.272 178.345 176.117 -0.074 0.000 1.088 489 I CA 1.033 62.271 61.300 -0.103 0.000 1.357 489 I CB -0.168 37.749 38.000 -0.139 0.000 1.051 489 I HN 0.181 nan 8.210 nan 0.000 0.409 490 I N 0.635 121.172 120.570 -0.054 0.000 2.202 490 I HA -0.281 3.888 4.170 -0.001 0.000 0.242 490 I C 2.223 178.289 176.117 -0.085 0.000 1.091 490 I CA 1.226 62.498 61.300 -0.047 0.000 1.368 490 I CB -0.553 37.431 38.000 -0.027 0.000 1.058 490 I HN 0.277 nan 8.210 nan 0.000 0.410 491 N N 0.527 119.135 118.700 -0.153 0.000 2.166 491 N HA -0.227 4.512 4.740 -0.001 0.000 0.186 491 N C 1.857 177.311 175.510 -0.094 0.000 1.019 491 N CA 1.368 54.330 53.050 -0.147 0.000 0.856 491 N CB -0.220 38.122 38.487 -0.241 0.000 0.993 491 N HN 0.339 nan 8.380 nan 0.000 0.426 492 E N 0.025 120.168 120.200 -0.095 0.000 2.230 492 E HA 0.140 4.489 4.350 -0.001 0.000 0.192 492 E C 1.169 177.716 176.600 -0.089 0.000 0.987 492 E CA 0.607 56.957 56.400 -0.083 0.000 0.841 492 E CB 0.203 29.857 29.700 -0.077 0.000 0.783 492 E HN 0.124 nan 8.360 nan 0.000 0.481 493 S N -1.667 113.985 115.700 -0.079 0.000 2.524 493 S HA 0.160 4.629 4.470 -0.001 0.000 0.222 493 S C 1.284 175.845 174.600 -0.066 0.000 1.040 493 S CA 0.170 58.318 58.200 -0.088 0.000 0.915 493 S CB 1.005 64.160 63.200 -0.075 0.000 0.831 493 S HN 0.071 nan 8.310 nan 0.000 0.492 494 V N 0.922 120.816 119.914 -0.033 0.000 3.264 494 V HA 0.269 4.388 4.120 -0.001 0.000 0.217 494 V C 1.763 177.872 176.094 0.026 0.000 1.236 494 V CA 0.138 62.443 62.300 0.007 0.000 1.287 494 V CB -0.521 31.317 31.823 0.026 0.000 1.241 494 V HN 0.257 nan 8.190 nan 0.000 0.518 495 I N 0.660 121.234 120.570 0.007 0.000 2.113 495 I HA -0.239 3.930 4.170 -0.001 0.000 0.238 495 I C 2.553 178.687 176.117 0.028 0.000 1.070 495 I CA 2.133 63.445 61.300 0.020 0.000 1.332 495 I CB -0.221 37.780 38.000 0.001 0.000 1.044 495 I HN 0.424 nan 8.210 nan 0.000 0.402 496 E N 0.424 120.628 120.200 0.006 0.000 2.204 496 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 496 E C 2.216 178.828 176.600 0.020 0.000 0.990 496 E CA 1.165 57.569 56.400 0.007 0.000 0.821 496 E CB 0.159 29.845 29.700 -0.022 0.000 0.750 496 E HN 0.340 nan 8.360 nan 0.000 0.477 497 S N -0.331 115.387 115.700 0.030 0.000 2.338 497 S HA -0.146 4.323 4.470 -0.001 0.000 0.218 497 S C 2.096 176.757 174.600 0.102 0.000 1.032 497 S CA 1.339 59.580 58.200 0.068 0.000 0.999 497 S CB -0.096 63.163 63.200 0.099 0.000 0.905 497 S HN 0.420 nan 8.310 nan 0.000 0.439 498 V N 0.018 119.997 119.914 0.109 0.000 2.591 498 V HA -0.000 4.119 4.120 -0.001 0.000 0.249 498 V C 1.350 177.494 176.094 0.083 0.000 1.053 498 V CA 1.753 64.118 62.300 0.108 0.000 1.068 498 V CB -0.707 31.189 31.823 0.121 0.000 0.689 498 V HN 0.162 nan 8.190 nan 0.000 0.462 499 D N -0.020 120.427 120.400 0.078 0.000 2.262 499 D HA 0.073 4.712 4.640 -0.001 0.000 0.212 499 D C 2.249 178.608 176.300 0.098 0.000 0.964 499 D CA 1.560 55.606 54.000 0.077 0.000 0.875 499 D CB 0.589 41.431 40.800 0.071 0.000 0.996 499 D HN 0.530 nan 8.370 nan 0.000 0.497 500 S N -1.298 114.464 115.700 0.104 0.000 2.691 500 S HA 0.206 4.675 4.470 -0.001 0.000 0.241 500 S C 1.609 176.318 174.600 0.183 0.000 1.077 500 S CA -0.150 58.129 58.200 0.132 0.000 0.900 500 S CB -0.047 63.195 63.200 0.071 0.000 0.805 500 S HN 0.022 nan 8.310 nan 0.000 0.529 501 L N 1.482 122.766 121.223 0.101 0.000 2.200 501 L HA 0.205 4.544 4.340 -0.001 0.000 0.200 501 L C 2.131 179.101 176.870 0.167 0.000 1.072 501 L CA 0.490 55.365 54.840 0.057 0.000 0.787 501 L CB -0.582 41.447 42.059 -0.050 0.000 0.957 501 L HN 0.238 nan 8.230 nan 0.000 0.459 502 N N 0.454 119.239 118.700 0.141 0.000 2.061 502 N HA -0.159 4.580 4.740 -0.001 0.000 0.193 502 N C -0.950 174.681 175.510 0.200 0.000 1.030 502 N CA 1.529 54.665 53.050 0.143 0.000 0.856 502 N CB -1.515 37.026 38.487 0.089 0.000 1.023 502 N HN 0.168 nan 8.380 nan 0.000 0.424 503 P HA -0.100 nan 4.420 nan 0.000 0.218 503 P C 1.122 178.556 177.300 0.224 0.000 1.146 503 P CA 0.894 64.098 63.100 0.173 0.000 0.813 503 P CB -0.114 31.651 31.700 0.109 0.000 0.778 504 F N -1.612 118.428 119.950 0.150 0.000 2.146 504 F HA -0.084 4.442 4.527 -0.002 0.000 0.298 504 F C 2.535 178.502 175.800 0.279 0.000 1.096 504 F CA 1.425 59.561 58.000 0.227 0.000 1.275 504 F CB -0.779 38.240 39.000 0.033 0.000 1.008 504 F HN -0.144 nan 8.300 nan 0.000 0.480 505 M N -1.278 118.536 119.600 0.357 0.000 2.319 505 M HA -0.188 4.291 4.480 -0.001 0.000 0.265 505 M C 2.436 178.892 176.300 0.260 0.000 1.068 505 M CA 1.414 56.868 55.300 0.257 0.000 1.118 505 M CB -0.418 32.290 32.600 0.180 0.000 1.395 505 M HN 0.169 nan 8.290 nan 0.000 0.435 506 H N 0.013 119.178 119.070 0.158 0.000 2.389 506 H HA -0.046 4.509 4.556 -0.001 0.000 0.299 506 H C 1.727 177.118 175.328 0.106 0.000 1.081 506 H CA 1.781 57.903 56.048 0.123 0.000 1.345 506 H CB 0.168 29.980 29.762 0.082 0.000 1.393 506 H HN 0.496 nan 8.280 nan 0.000 0.520 507 A N 0.985 123.907 122.820 0.170 0.000 1.855 507 A HA -0.077 4.243 4.320 -0.001 0.000 0.215 507 A C 2.212 179.745 177.584 -0.085 0.000 1.191 507 A CA 1.532 53.589 52.037 0.032 0.000 0.613 507 A CB -0.042 18.971 19.000 0.022 0.000 0.829 507 A HN 0.427 nan 8.150 nan 0.000 0.442 508 R N -2.217 118.258 120.500 -0.042 0.000 2.539 508 R HA 0.359 4.699 4.340 -0.001 0.000 0.342 508 R C 0.485 176.801 176.300 0.027 0.000 0.941 508 R CA 0.437 56.448 56.100 -0.149 0.000 1.146 508 R CB 0.932 30.861 30.300 -0.618 0.000 1.541 508 R HN 0.772 nan 8.270 nan 0.000 0.525 509 G N 0.342 109.229 108.800 0.145 0.000 2.549 509 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.404 509 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.404 509 G C 0.312 175.168 174.900 -0.072 0.000 1.292 509 G CA -0.322 44.864 45.100 0.143 0.000 0.935 509 G HN -0.075 nan 8.290 nan 0.000 0.512 510 V N 0.762 120.330 119.914 -0.577 0.000 2.343 510 V HA 0.094 4.213 4.120 -0.001 0.000 0.247 510 V C 3.189 179.017 176.094 -0.442 0.000 1.051 510 V CA 3.575 65.441 62.300 -0.723 0.000 1.036 510 V CB -0.962 29.939 31.823 -1.537 0.000 0.654 510 V HN 2.102 nan 8.190 nan 0.000 0.451 511 A N -0.961 121.627 122.820 -0.386 0.000 1.933 511 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 511 A C 2.088 179.651 177.584 -0.034 0.000 1.175 511 A CA 1.999 53.913 52.037 -0.205 0.000 0.628 511 A CB -0.852 18.054 19.000 -0.156 0.000 0.814 511 A HN 0.622 nan 8.150 nan 0.000 0.444 512 F N -0.179 119.712 119.950 -0.099 0.000 2.216 512 F HA -0.104 4.422 4.527 -0.001 0.000 0.300 512 F C 2.202 178.053 175.800 0.085 0.000 1.085 512 F CA 1.713 59.733 58.000 0.032 0.000 1.326 512 F CB -0.184 38.867 39.000 0.086 0.000 1.027 512 F HN 0.287 nan 8.300 nan 0.000 0.497 513 M N -1.065 118.558 119.600 0.039 0.000 2.115 513 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 513 M C 1.971 178.111 176.300 -0.268 0.000 1.079 513 M CA 1.782 57.005 55.300 -0.128 0.000 1.143 513 M CB -0.403 32.185 32.600 -0.020 0.000 1.332 513 M HN -0.047 nan 8.290 nan 0.000 0.421 514 V N 0.836 120.628 119.914 -0.204 0.000 2.270 514 V HA -0.265 3.854 4.120 -0.001 0.000 0.245 514 V C 1.514 177.495 176.094 -0.189 0.000 1.043 514 V CA 2.016 64.202 62.300 -0.190 0.000 1.014 514 V CB -0.856 30.861 31.823 -0.176 0.000 0.645 514 V HN 0.469 nan 8.190 nan 0.000 0.447 515 D N -0.118 120.178 120.400 -0.174 0.000 2.363 515 D HA -0.034 4.605 4.640 -0.001 0.000 0.226 515 D C 1.518 177.711 176.300 -0.179 0.000 1.020 515 D CA 0.359 54.270 54.000 -0.149 0.000 0.892 515 D CB -0.231 40.504 40.800 -0.109 0.000 0.900 515 D HN 0.376 nan 8.370 nan 0.000 0.531 516 N N -0.286 118.255 118.700 -0.266 0.000 2.336 516 N HA 0.001 4.740 4.740 -0.001 0.000 0.189 516 N C 0.298 175.626 175.510 -0.304 0.000 1.113 516 N CA -0.002 52.860 53.050 -0.313 0.000 0.858 516 N CB 0.534 38.730 38.487 -0.485 0.000 0.970 516 N HN 0.119 nan 8.380 nan 0.000 0.471 517 C N 0.674 119.810 119.300 -0.273 0.000 2.411 517 C HA 0.374 4.833 4.460 -0.001 0.000 0.358 517 C C 1.356 176.241 174.990 -0.175 0.000 1.349 517 C CA -0.957 57.922 59.018 -0.232 0.000 2.326 517 C CB 0.861 28.471 27.740 -0.217 0.000 2.166 517 C HN 0.393 nan 8.230 nan 0.000 0.609 518 S N 0.537 116.140 115.700 -0.162 0.000 2.576 518 S HA 0.027 4.496 4.470 -0.001 0.000 0.272 518 S C 0.867 175.398 174.600 -0.113 0.000 1.352 518 S CA 0.209 58.324 58.200 -0.142 0.000 1.021 518 S CB 0.337 63.440 63.200 -0.163 0.000 0.887 518 S HN 0.770 nan 8.310 nan 0.000 0.542 519 T N 1.400 115.897 114.554 -0.096 0.000 2.720 519 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 519 T C 1.970 176.660 174.700 -0.015 0.000 1.037 519 T CA 2.040 64.112 62.100 -0.046 0.000 1.144 519 T CB -0.932 67.930 68.868 -0.011 0.000 0.864 519 T HN 0.873 nan 8.240 nan 0.000 0.444 520 T N 1.010 115.526 114.554 -0.063 0.000 2.881 520 T HA 0.005 4.354 4.350 -0.001 0.000 0.270 520 T C 2.050 176.764 174.700 0.024 0.000 1.068 520 T CA 1.350 63.438 62.100 -0.019 0.000 1.131 520 T CB -0.423 68.399 68.868 -0.077 0.000 0.871 520 T HN 0.402 nan 8.240 nan 0.000 0.479 521 A N 1.089 123.891 122.820 -0.031 0.000 1.930 521 A HA 0.107 4.426 4.320 -0.001 0.000 0.215 521 A C 2.423 180.003 177.584 -0.007 0.000 1.176 521 A CA 0.955 52.974 52.037 -0.031 0.000 0.632 521 A CB -0.403 18.541 19.000 -0.093 0.000 0.819 521 A HN 0.544 nan 8.150 nan 0.000 0.445 522 R N -0.422 120.067 120.500 -0.019 0.000 2.096 522 R HA -0.003 4.336 4.340 -0.001 0.000 0.235 522 R C 1.910 178.240 176.300 0.049 0.000 1.127 522 R CA 1.374 57.469 56.100 -0.009 0.000 0.968 522 R CB -0.486 29.793 30.300 -0.036 0.000 0.861 522 R HN 0.467 nan 8.270 nan 0.000 0.440 523 L N -0.420 120.853 121.223 0.084 0.000 2.141 523 L HA -0.054 4.286 4.340 -0.001 0.000 0.209 523 L C 2.534 179.495 176.870 0.151 0.000 1.094 523 L CA 1.244 56.156 54.840 0.120 0.000 0.763 523 L CB -0.621 41.517 42.059 0.132 0.000 0.908 523 L HN 0.347 nan 8.230 nan 0.000 0.437 524 G N -1.229 107.671 108.800 0.167 0.000 2.404 524 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.215 524 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.215 524 G C 1.799 176.872 174.900 0.288 0.000 1.174 524 G CA 0.944 46.200 45.100 0.259 0.000 0.780 524 G HN 0.334 nan 8.290 nan 0.000 0.537 525 S N 0.009 115.809 115.700 0.166 0.000 2.382 525 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 525 S C 2.477 177.196 174.600 0.198 0.000 1.027 525 S CA 1.399 59.698 58.200 0.165 0.000 0.991 525 S CB -0.191 63.055 63.200 0.077 0.000 0.823 525 S HN 0.417 nan 8.310 nan 0.000 0.469 526 R N 0.413 121.002 120.500 0.147 0.000 2.115 526 R HA 0.072 4.411 4.340 -0.001 0.000 0.226 526 R C 2.488 178.829 176.300 0.069 0.000 1.100 526 R CA 1.259 57.428 56.100 0.115 0.000 0.980 526 R CB -0.127 30.221 30.300 0.080 0.000 0.875 526 R HN 0.366 nan 8.270 nan 0.000 0.445 527 K N -0.716 119.720 120.400 0.061 0.000 2.186 527 K HA -0.104 4.215 4.320 -0.001 0.000 0.202 527 K C 0.853 177.263 176.600 -0.317 0.000 1.052 527 K CA 0.966 57.160 56.287 -0.155 0.000 0.965 527 K CB 0.208 32.599 32.500 -0.181 0.000 0.746 527 K HN 0.153 nan 8.250 nan 0.000 0.457 528 W N -0.500 120.853 121.300 0.089 0.000 2.940 528 W HA 0.336 4.996 4.660 -0.001 0.000 0.297 528 W C 1.882 178.552 176.519 0.252 0.000 1.149 528 W CA 0.106 57.535 57.345 0.139 0.000 1.564 528 W CB 0.249 29.828 29.460 0.199 0.000 1.010 528 W HN 0.043 nan 8.180 nan 0.000 0.578 529 A N 1.590 124.632 122.820 0.370 0.000 1.883 529 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 529 A C -0.330 177.361 177.584 0.179 0.000 1.186 529 A CA 1.813 54.011 52.037 0.267 0.000 0.624 529 A CB -1.855 17.233 19.000 0.146 0.000 0.822 529 A HN 0.073 nan 8.150 nan 0.000 0.444 530 P HA -0.140 nan 4.420 nan 0.000 0.218 530 P C 1.355 178.680 177.300 0.042 0.000 1.149 530 P CA 0.905 64.031 63.100 0.043 0.000 0.817 530 P CB -0.081 31.579 31.700 -0.067 0.000 0.785 531 R N -1.415 119.085 120.500 0.000 0.000 2.092 531 R HA -0.001 4.339 4.340 -0.001 0.000 0.231 531 R C 2.150 178.409 176.300 -0.068 0.000 1.119 531 R CA 1.206 57.257 56.100 -0.083 0.000 0.970 531 R CB -1.463 28.755 30.300 -0.136 0.000 0.864 531 R HN 0.313 nan 8.270 nan 0.000 0.440 532 F N 1.261 121.269 119.950 0.095 0.000 2.293 532 F HA -0.094 4.432 4.527 -0.001 0.000 0.297 532 F C 2.328 178.139 175.800 0.019 0.000 1.089 532 F CA 1.058 59.089 58.000 0.051 0.000 1.377 532 F CB -0.294 38.731 39.000 0.043 0.000 1.051 532 F HN 0.021 nan 8.300 nan 0.000 0.511 533 D N -0.471 120.063 120.400 0.223 0.000 2.084 533 D HA -0.229 4.410 4.640 -0.001 0.000 0.194 533 D C 2.158 178.521 176.300 0.105 0.000 0.990 533 D CA 1.619 55.707 54.000 0.146 0.000 0.826 533 D CB -0.317 40.582 40.800 0.164 0.000 0.971 533 D HN 0.204 nan 8.370 nan 0.000 0.453 534 Y N 0.863 121.150 120.300 -0.021 0.000 2.114 534 Y HA -0.073 4.476 4.550 -0.001 0.000 0.284 534 Y C 2.561 178.419 175.900 -0.070 0.000 1.143 534 Y CA 0.955 59.032 58.100 -0.039 0.000 1.135 534 Y CB -0.580 37.854 38.460 -0.044 0.000 0.980 534 Y HN 0.001 nan 8.280 nan 0.000 0.499 535 I N -1.019 119.590 120.570 0.064 0.000 2.361 535 I HA -0.283 3.886 4.170 -0.001 0.000 0.251 535 I C 2.088 178.135 176.117 -0.116 0.000 1.133 535 I CA 1.006 62.291 61.300 -0.024 0.000 1.413 535 I CB -0.099 37.871 38.000 -0.050 0.000 1.073 535 I HN 0.194 nan 8.210 nan 0.000 0.424 536 L N -0.063 121.047 121.223 -0.189 0.000 2.109 536 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 536 L C 2.385 178.785 176.870 -0.783 0.000 1.086 536 L CA 1.993 56.547 54.840 -0.477 0.000 0.760 536 L CB -0.555 41.213 42.059 -0.485 0.000 0.910 536 L HN 0.192 nan 8.230 nan 0.000 0.437 537 T N -1.591 112.703 114.554 -0.433 0.000 2.896 537 T HA -0.135 4.214 4.350 -0.001 0.000 0.263 537 T C 1.798 176.458 174.700 -0.065 0.000 1.050 537 T CA 1.157 63.163 62.100 -0.157 0.000 1.140 537 T CB -0.058 68.779 68.868 -0.050 0.000 0.877 537 T HN 0.384 nan 8.240 nan 0.000 0.457 538 Q N 0.269 120.014 119.800 -0.093 0.000 2.187 538 Q HA 0.029 4.368 4.340 -0.001 0.000 0.199 538 Q C 2.255 178.248 176.000 -0.010 0.000 0.957 538 Q CA 1.009 56.791 55.803 -0.034 0.000 0.857 538 Q CB 0.115 28.846 28.738 -0.011 0.000 0.929 538 Q HN 0.568 nan 8.270 nan 0.000 0.453 539 Q N -1.192 118.585 119.800 -0.039 0.000 2.619 539 Q HA 0.200 4.540 4.340 -0.001 0.000 0.230 539 Q C 1.959 177.960 176.000 0.003 0.000 0.871 539 Q CA 0.499 56.298 55.803 -0.006 0.000 0.934 539 Q CB 0.109 28.845 28.738 -0.003 0.000 1.183 539 Q HN 0.223 nan 8.270 nan 0.000 0.631 540 A N 0.814 123.585 122.820 -0.082 0.000 1.877 540 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 540 A C 1.659 179.335 177.584 0.153 0.000 1.186 540 A CA 1.345 53.353 52.037 -0.048 0.000 0.620 540 A CB -0.601 18.267 19.000 -0.220 0.000 0.822 540 A HN 0.278 nan 8.150 nan 0.000 0.443 541 F N -0.241 119.765 119.950 0.095 0.000 2.325 541 F HA -0.027 4.499 4.527 -0.001 0.000 0.299 541 F C 2.407 178.259 175.800 0.087 0.000 1.090 541 F CA 0.303 58.375 58.000 0.119 0.000 1.392 541 F CB -1.030 38.019 39.000 0.082 0.000 1.053 541 F HN 0.016 nan 8.300 nan 0.000 0.521 542 V N -0.569 119.484 119.914 0.232 0.000 2.358 542 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 542 V C 2.273 178.447 176.094 0.133 0.000 1.047 542 V CA 2.222 64.609 62.300 0.144 0.000 1.035 542 V CB -1.136 30.742 31.823 0.092 0.000 0.658 542 V HN 0.313 nan 8.190 nan 0.000 0.452 543 T N 0.213 114.851 114.554 0.140 0.000 2.684 543 T HA -0.186 4.164 4.350 -0.001 0.000 0.267 543 T C 1.970 176.761 174.700 0.152 0.000 1.036 543 T CA 1.777 63.956 62.100 0.131 0.000 1.148 543 T CB -0.279 68.665 68.868 0.126 0.000 0.863 543 T HN 0.285 nan 8.240 nan 0.000 0.436 544 V N 2.125 122.165 119.914 0.210 0.000 2.295 544 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 544 V C 2.267 178.451 176.094 0.149 0.000 1.049 544 V CA 1.758 64.195 62.300 0.227 0.000 1.024 544 V CB -0.540 31.504 31.823 0.369 0.000 0.648 544 V HN 0.444 nan 8.190 nan 0.000 0.447 545 D N -0.287 120.190 120.400 0.129 0.000 2.264 545 D HA -0.103 4.536 4.640 -0.001 0.000 0.208 545 D C 2.135 178.475 176.300 0.067 0.000 0.966 545 D CA 0.829 54.875 54.000 0.077 0.000 0.864 545 D CB -0.121 40.718 40.800 0.066 0.000 0.933 545 D HN 0.438 nan 8.370 nan 0.000 0.499 546 K N 0.253 120.700 120.400 0.079 0.000 2.366 546 K HA -0.056 4.263 4.320 -0.001 0.000 0.198 546 K C -0.105 176.533 176.600 0.064 0.000 1.044 546 K CA 0.183 56.509 56.287 0.066 0.000 0.973 546 K CB 0.420 32.961 32.500 0.068 0.000 0.767 546 K HN -0.077 nan 8.250 nan 0.000 0.475 547 D N 0.353 120.800 120.400 0.078 0.000 2.699 547 D HA -0.148 4.491 4.640 -0.001 0.000 0.239 547 D C -0.665 175.681 176.300 0.076 0.000 1.136 547 D CA 0.785 54.831 54.000 0.077 0.000 0.668 547 D CB -1.024 39.812 40.800 0.060 0.000 1.060 547 D HN 0.344 nan 8.370 nan 0.000 0.429 548 A N 1.283 124.154 122.820 0.085 0.000 2.477 548 A HA 0.398 4.717 4.320 -0.001 0.000 0.246 548 A C -1.448 176.186 177.584 0.083 0.000 1.078 548 A CA -0.728 51.357 52.037 0.081 0.000 0.770 548 A CB 0.279 19.332 19.000 0.088 0.000 1.011 548 A HN 0.075 nan 8.150 nan 0.000 0.494 549 P HA 0.125 nan 4.420 nan 0.000 0.267 549 P C -0.274 177.072 177.300 0.078 0.000 1.205 549 P CA 0.146 63.288 63.100 0.070 0.000 0.765 549 P CB 0.228 31.963 31.700 0.058 0.000 0.828 550 I N 2.745 123.364 120.570 0.081 0.000 2.821 550 I HA -0.132 4.037 4.170 -0.001 0.000 0.294 550 I C 1.458 177.619 176.117 0.074 0.000 1.210 550 I CA 0.294 61.645 61.300 0.085 0.000 1.430 550 I CB -0.275 37.778 38.000 0.087 0.000 1.356 550 I HN 0.365 nan 8.210 nan 0.000 0.563 551 N N 6.972 125.720 118.700 0.081 0.000 2.400 551 N HA -0.060 4.679 4.740 -0.001 0.000 0.278 551 N C 0.832 176.368 175.510 0.044 0.000 1.247 551 N CA 0.296 53.391 53.050 0.075 0.000 0.970 551 N CB 0.717 39.266 38.487 0.104 0.000 1.312 551 N HN 0.501 nan 8.380 nan 0.000 0.488 552 Q N 1.770 121.591 119.800 0.036 0.000 2.123 552 Q HA -0.133 4.206 4.340 -0.001 0.000 0.199 552 Q C 0.710 176.707 176.000 -0.006 0.000 0.966 552 Q CA 1.348 57.160 55.803 0.016 0.000 0.845 552 Q CB 0.004 28.755 28.738 0.020 0.000 0.907 552 Q HN 0.786 nan 8.270 nan 0.000 0.439 553 D N -0.644 119.757 120.400 0.002 0.000 2.347 553 D HA -0.087 4.552 4.640 -0.001 0.000 0.215 553 D C 1.772 178.049 176.300 -0.040 0.000 0.976 553 D CA 0.307 54.300 54.000 -0.011 0.000 0.884 553 D CB -0.326 40.478 40.800 0.007 0.000 0.915 553 D HN 0.155 nan 8.370 nan 0.000 0.526 554 L N -0.059 121.132 121.223 -0.053 0.000 2.072 554 L HA -0.059 4.280 4.340 -0.001 0.000 0.205 554 L C 2.100 178.874 176.870 -0.161 0.000 1.079 554 L CA 0.583 55.336 54.840 -0.146 0.000 0.752 554 L CB -0.129 41.836 42.059 -0.157 0.000 0.906 554 L HN 0.076 nan 8.230 nan 0.000 0.436 555 I N -1.000 119.489 120.570 -0.134 0.000 2.252 555 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 555 I C 2.719 178.753 176.117 -0.138 0.000 1.102 555 I CA 1.209 62.393 61.300 -0.193 0.000 1.385 555 I CB -1.158 36.773 38.000 -0.115 0.000 1.064 555 I HN 0.166 nan 8.210 nan 0.000 0.414 556 S N 1.037 116.679 115.700 -0.096 0.000 2.399 556 S HA -0.145 4.324 4.470 -0.001 0.000 0.231 556 S C 1.722 176.273 174.600 -0.082 0.000 1.022 556 S CA 1.333 59.482 58.200 -0.086 0.000 0.983 556 S CB -0.166 63.002 63.200 -0.053 0.000 0.803 556 S HN 0.416 nan 8.310 nan 0.000 0.480 557 N N 0.577 119.235 118.700 -0.070 0.000 2.216 557 N HA 0.011 4.750 4.740 -0.001 0.000 0.183 557 N C 1.301 176.814 175.510 0.006 0.000 1.017 557 N CA 0.983 54.008 53.050 -0.041 0.000 0.861 557 N CB -0.580 37.871 38.487 -0.059 0.000 0.986 557 N HN 0.517 nan 8.380 nan 0.000 0.428 558 F N 1.208 121.056 119.950 -0.171 0.000 2.146 558 F HA -0.054 4.473 4.527 -0.001 0.000 0.298 558 F C 1.935 177.718 175.800 -0.029 0.000 1.096 558 F CA 1.180 59.118 58.000 -0.103 0.000 1.275 558 F CB -0.163 38.571 39.000 -0.444 0.000 1.008 558 F HN -0.098 nan 8.300 nan 0.000 0.480 559 M N 0.361 119.680 119.600 -0.469 0.000 2.175 559 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 559 M C 2.270 178.383 176.300 -0.313 0.000 1.063 559 M CA 1.745 56.707 55.300 -0.562 0.000 1.119 559 M CB -1.701 30.677 32.600 -0.371 0.000 1.377 559 M HN 0.421 nan 8.290 nan 0.000 0.415 560 S N -1.708 113.898 115.700 -0.157 0.000 2.556 560 S HA 0.068 4.537 4.470 -0.001 0.000 0.216 560 S C 0.530 175.122 174.600 -0.014 0.000 0.970 560 S CA -0.530 57.624 58.200 -0.078 0.000 0.912 560 S CB -0.071 63.092 63.200 -0.062 0.000 0.790 560 S HN 0.308 nan 8.310 nan 0.000 0.504 561 D N 3.993 124.410 120.400 0.029 0.000 2.450 561 D HA 0.093 4.732 4.640 -0.001 0.000 0.247 561 D C -1.295 175.004 176.300 -0.001 0.000 1.162 561 D CA -1.195 52.816 54.000 0.018 0.000 0.879 561 D CB 1.488 42.273 40.800 -0.026 0.000 1.163 561 D HN 0.137 nan 8.370 nan 0.000 0.472 562 P HA -0.128 nan 4.420 nan 0.000 0.228 562 P C 1.514 178.733 177.300 -0.136 0.000 1.151 562 P CA 0.223 63.289 63.100 -0.056 0.000 0.770 562 P CB 0.399 32.076 31.700 -0.039 0.000 0.786 563 V N 0.369 120.205 119.914 -0.130 0.000 2.490 563 V HA -0.223 3.896 4.120 -0.001 0.000 0.250 563 V C 2.459 178.446 176.094 -0.179 0.000 1.061 563 V CA 1.817 64.032 62.300 -0.142 0.000 1.064 563 V CB -1.171 30.652 31.823 -0.001 0.000 0.670 563 V HN 0.165 nan 8.190 nan 0.000 0.461 564 H N 0.167 119.218 119.070 -0.031 0.000 2.353 564 H HA -0.073 4.482 4.556 -0.002 0.000 0.300 564 H C 2.295 177.586 175.328 -0.061 0.000 1.090 564 H CA 1.589 57.611 56.048 -0.043 0.000 1.327 564 H CB -0.825 28.884 29.762 -0.087 0.000 1.383 564 H HN 0.544 nan 8.280 nan 0.000 0.508 565 G N 0.293 109.106 108.800 0.022 0.000 2.422 565 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.218 565 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.218 565 G C 1.958 176.812 174.900 -0.078 0.000 1.140 565 G CA 0.826 45.906 45.100 -0.035 0.000 0.775 565 G HN 0.503 nan 8.290 nan 0.000 0.545 566 A N 0.606 123.341 122.820 -0.142 0.000 1.968 566 A HA 0.170 4.489 4.320 -0.001 0.000 0.217 566 A C 2.320 179.856 177.584 -0.080 0.000 1.169 566 A CA 0.866 52.794 52.037 -0.181 0.000 0.638 566 A CB -0.247 18.509 19.000 -0.407 0.000 0.812 566 A HN 0.355 nan 8.150 nan 0.000 0.446 567 I N -0.337 120.210 120.570 -0.038 0.000 2.315 567 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 567 I C 2.413 178.532 176.117 0.003 0.000 1.117 567 I CA 1.314 62.616 61.300 0.002 0.000 1.404 567 I CB -0.338 37.688 38.000 0.044 0.000 1.071 567 I HN 0.404 nan 8.210 nan 0.000 0.419 568 E N 0.287 120.489 120.200 0.002 0.000 2.085 568 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 568 E C 2.332 178.923 176.600 -0.016 0.000 0.994 568 E CA 1.524 57.923 56.400 -0.002 0.000 0.801 568 E CB -0.076 29.621 29.700 -0.006 0.000 0.743 568 E HN 0.305 nan 8.360 nan 0.000 0.453 569 V N 0.619 120.515 119.914 -0.029 0.000 2.307 569 V HA -0.276 3.843 4.120 -0.001 0.000 0.245 569 V C 2.427 178.501 176.094 -0.034 0.000 1.045 569 V CA 1.367 63.647 62.300 -0.033 0.000 1.024 569 V CB -0.401 31.398 31.823 -0.040 0.000 0.651 569 V HN 0.463 nan 8.190 nan 0.000 0.449 570 C N 0.366 119.651 119.300 -0.025 0.000 2.422 570 C HA -0.075 4.384 4.460 -0.001 0.000 0.279 570 C C 3.037 178.007 174.990 -0.035 0.000 1.305 570 C CA 0.785 59.792 59.018 -0.018 0.000 1.757 570 C CB -1.277 26.447 27.740 -0.027 0.000 1.962 570 C HN 0.628 nan 8.230 nan 0.000 0.499 571 A N 0.119 122.925 122.820 -0.024 0.000 2.067 571 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 571 A C 2.026 179.591 177.584 -0.031 0.000 1.158 571 A CA 1.361 53.390 52.037 -0.013 0.000 0.661 571 A CB -0.303 18.701 19.000 0.006 0.000 0.801 571 A HN 0.615 nan 8.150 nan 0.000 0.452 572 E N -0.035 120.131 120.200 -0.057 0.000 2.216 572 E HA 0.000 4.349 4.350 -0.001 0.000 0.192 572 E C 0.407 176.895 176.600 -0.188 0.000 0.988 572 E CA 0.425 56.786 56.400 -0.066 0.000 0.834 572 E CB -0.228 29.445 29.700 -0.045 0.000 0.772 572 E HN 0.635 nan 8.360 nan 0.000 0.479 573 L N 1.665 122.671 121.223 -0.361 0.000 2.536 573 L HA 0.320 4.660 4.340 -0.001 0.000 0.242 573 L C 0.310 176.800 176.870 -0.634 0.000 1.280 573 L CA -0.152 54.066 54.840 -1.036 0.000 1.221 573 L CB -0.134 41.424 42.059 -0.835 0.000 1.449 573 L HN -0.207 nan 8.230 nan 0.000 0.405 574 R N 1.375 121.745 120.500 -0.217 0.000 2.698 574 R HA 0.537 4.877 4.340 -0.001 0.000 0.275 574 R C -2.619 173.833 176.300 0.252 0.000 1.001 574 R CA -1.588 54.566 56.100 0.091 0.000 0.896 574 R CB 2.254 32.586 30.300 0.053 0.000 1.218 574 R HN -0.052 nan 8.270 nan 0.000 0.462 575 P HA -0.076 nan 4.420 nan 0.000 0.266 575 P C 0.096 177.479 177.300 0.139 0.000 1.193 575 P CA 0.207 63.420 63.100 0.189 0.000 0.770 575 P CB 0.798 32.587 31.700 0.147 0.000 0.836 576 T N 0.271 114.892 114.554 0.111 0.000 2.951 576 T HA 0.035 4.384 4.350 -0.001 0.000 0.268 576 T C 0.963 175.702 174.700 0.065 0.000 1.073 576 T CA 1.209 63.360 62.100 0.084 0.000 1.134 576 T CB -0.193 68.712 68.868 0.061 0.000 0.884 576 T HN 0.354 nan 8.240 nan 0.000 0.479 577 V N -2.179 117.773 119.914 0.063 0.000 3.426 577 V HA 0.623 4.742 4.120 -0.001 0.000 0.305 577 V C -0.836 175.291 176.094 0.056 0.000 1.350 577 V CA -1.236 61.095 62.300 0.052 0.000 1.013 577 V CB 0.850 32.699 31.823 0.042 0.000 1.191 577 V HN -0.157 nan 8.190 nan 0.000 0.479 578 D N -0.133 120.296 120.400 0.048 0.000 2.225 578 D HA 0.574 5.214 4.640 -0.001 0.000 0.249 578 D C 0.407 176.742 176.300 0.059 0.000 1.052 578 D CA -0.044 53.986 54.000 0.050 0.000 0.909 578 D CB 1.962 42.783 40.800 0.036 0.000 1.186 578 D HN 0.568 nan 8.370 nan 0.000 0.431 579 I N -0.072 120.541 120.570 0.072 0.000 3.976 579 I HA 0.007 4.176 4.170 -0.001 0.000 0.337 579 I C 1.138 177.302 176.117 0.077 0.000 1.359 579 I CA 0.045 61.400 61.300 0.092 0.000 1.098 579 I CB 0.396 38.471 38.000 0.124 0.000 1.027 579 I HN 0.066 nan 8.210 nan 0.000 0.394 580 S N 2.183 117.908 115.700 0.041 0.000 4.051 580 S HA 0.319 4.788 4.470 -0.001 0.000 0.215 580 S C -0.053 174.513 174.600 -0.057 0.000 1.289 580 S CA -0.098 58.099 58.200 -0.005 0.000 0.907 580 S CB -0.711 62.493 63.200 0.007 0.000 1.603 580 S HN 0.123 nan 8.310 nan 0.000 0.453 581 V N 0.000 119.833 119.914 -0.135 0.000 2.409 581 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 581 V CA 0.000 62.219 62.300 -0.135 0.000 1.235 581 V CB 0.000 31.798 31.823 -0.042 0.000 1.184 581 V HN 0.000 nan 8.190 nan 0.000 0.556