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 1ivd_1_A DATA FIRST_RESID 82 DATA SEQUENCE VEYRNWSKPQ cQITGFAPFS KDNSIRLSAG GDIWVTREPY VScDPVKcYQ DATA SEQUENCE FALGQGTTLD NKHSNDTVHD RIPHRTLLMN ELGVPFHLGT RQVcIAWSSS DATA SEQUENCE ScHDGKAWLH VcITGDDKNA TASFIYDGRL VDSIGSWSQN ILRTQESEcV DATA SEQUENCE cINGTcTVVM TDGSASGRAD TRILFIEEGK IVHISPLAGS AQHVEEcScY DATA SEQUENCE PRYPGVRcIc RDNWKGSNRP VVDINMEDYS IDSSYVcSGL VGDTPRNDDR DATA SEQUENCE SSNSNcRDPN NERGTQGVKG WAFDNGNDLW MGRTISKDLR SGYETFKVIG DATA SEQUENCE GWSTPNSKSQ INRQVIVDSD NRSGYSGIFS VEGKScINRc FYVELIRGRK DATA SEQUENCE QETRVWWTSN SIVVFcGTSG TYGTGSWPDG ANINFMPI 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 82 V HA 0.000 nan 4.120 nan 0.000 0.244 82 V C 0.000 175.979 176.094 -0.192 0.000 1.182 82 V CA 0.000 62.224 62.300 -0.126 0.000 1.235 82 V CB 0.000 31.741 31.823 -0.136 0.000 1.184 83 E N 4.173 124.284 120.200 -0.149 0.000 2.602 83 E HA 0.134 nan 4.350 nan 0.000 0.255 83 E C -1.534 174.957 176.600 -0.182 0.000 1.268 83 E CA -0.804 55.516 56.400 -0.133 0.000 1.007 83 E CB 1.162 30.837 29.700 -0.041 0.000 1.208 83 E HN -0.216 8.077 8.360 -0.112 0.000 0.584 84 Y N -2.726 117.558 120.300 -0.026 0.000 2.432 84 Y HA 0.031 nan 4.550 nan 0.000 0.322 84 Y C 0.383 176.230 175.900 -0.089 0.000 1.246 84 Y CA -0.249 57.829 58.100 -0.036 0.000 1.268 84 Y CB 1.664 40.121 38.460 -0.005 0.000 1.276 84 Y HN -0.165 8.217 8.280 0.170 0.000 0.499 85 R N 2.166 122.731 120.500 0.108 0.000 2.308 85 R HA 0.021 nan 4.340 nan 0.000 0.325 85 R C -0.142 176.094 176.300 -0.108 0.000 1.161 85 R CA 0.194 56.191 56.100 -0.171 0.000 1.022 85 R CB -0.402 29.724 30.300 -0.289 0.000 1.091 85 R HN 0.192 8.618 8.270 0.260 0.000 0.497 86 N N 2.973 121.631 118.700 -0.070 0.000 2.205 86 N HA -0.006 nan 4.740 nan 0.000 0.201 86 N C -0.078 175.572 175.510 0.233 0.000 1.128 86 N CA -1.335 51.782 53.050 0.113 0.000 0.867 86 N CB -0.080 38.457 38.487 0.084 0.000 0.996 86 N HN -0.061 8.250 8.380 -0.115 0.000 0.503 87 W N -6.053 115.271 121.300 0.040 0.000 3.275 87 W HA -0.397 nan 4.660 nan 0.000 0.278 87 W C -0.513 175.900 176.519 -0.176 0.000 1.045 87 W CA 0.572 57.922 57.345 0.009 0.000 0.611 87 W CB -1.991 27.551 29.460 0.137 0.000 2.065 87 W HN -0.040 7.968 8.180 -0.286 0.000 1.526 88 S N 1.108 116.662 115.700 -0.243 0.000 2.643 88 S HA -0.144 nan 4.470 nan 0.000 0.329 88 S C -0.486 174.016 174.600 -0.163 0.000 1.193 88 S CA 2.264 60.170 58.200 -0.489 0.000 1.293 88 S CB -0.221 62.699 63.200 -0.468 0.000 1.205 88 S HN -0.579 7.700 8.310 -0.196 -0.087 0.550 89 K N 6.147 126.504 120.400 -0.071 0.000 2.707 89 K HA 0.121 nan 4.320 nan 0.000 0.275 89 K C -2.779 173.846 176.600 0.042 0.000 1.060 89 K CA -1.827 54.461 56.287 0.001 0.000 0.969 89 K CB 1.326 33.845 32.500 0.031 0.000 1.379 89 K HN -0.457 7.751 8.250 -0.070 0.000 0.409 90 P HA -0.073 nan 4.420 nan 0.000 0.266 90 P C -1.110 176.211 177.300 0.035 0.000 1.195 90 P CA -0.022 63.102 63.100 0.039 0.000 0.768 90 P CB 0.820 32.539 31.700 0.031 0.000 0.838 91 Q N 1.184 121.002 119.800 0.030 0.000 2.417 91 Q HA 0.108 nan 4.340 nan 0.000 0.241 91 Q C -0.352 175.652 176.000 0.007 0.000 1.008 91 Q CA -0.087 55.714 55.803 -0.003 0.000 0.901 91 Q CB 1.488 30.222 28.738 -0.007 0.000 1.259 91 Q HN 0.210 8.506 8.270 0.042 0.000 0.489 92 c N 2.671 121.256 118.600 -0.024 0.000 2.452 92 c HA 0.115 nan 4.570 nan 0.000 0.379 92 c C 0.438 174.545 174.090 0.028 0.000 1.275 92 c CA -0.503 55.818 56.329 -0.014 0.000 2.056 92 c CB -0.082 42.392 42.510 -0.059 0.000 2.506 92 c HN 0.110 8.297 8.230 -0.071 0.000 0.560 93 Q N 4.416 124.243 119.800 0.044 0.000 2.641 93 Q HA 0.046 nan 4.340 nan 0.000 0.225 93 Q C -0.361 175.670 176.000 0.053 0.000 1.309 93 Q CA -0.622 55.233 55.803 0.086 0.000 0.935 93 Q CB -1.533 27.251 28.738 0.078 0.000 1.557 93 Q HN 0.418 8.707 8.270 0.031 0.000 0.563 94 I N 0.123 120.699 120.570 0.009 0.000 3.194 94 I HA 0.368 nan 4.170 nan 0.000 0.283 94 I C -0.374 175.695 176.117 -0.080 0.000 1.199 94 I CA -0.263 60.936 61.300 -0.169 0.000 1.328 94 I CB 1.223 38.933 38.000 -0.483 0.000 1.404 94 I HN -0.394 7.832 8.210 0.064 0.022 0.618 95 T N -3.467 110.990 114.554 -0.162 0.000 3.087 95 T HA 0.293 nan 4.350 nan 0.000 0.283 95 T C -0.124 174.646 174.700 0.117 0.000 0.956 95 T CA -1.012 61.152 62.100 0.105 0.000 0.894 95 T CB 0.865 69.791 68.868 0.098 0.000 1.160 95 T HN 0.736 8.817 8.240 -0.266 0.000 0.532 96 G N 0.476 108.960 108.800 -0.527 0.000 2.369 96 G HA2 -0.082 nan 3.960 nan 0.000 0.295 96 G HA3 -0.082 nan 3.960 nan 0.000 0.295 96 G C -3.396 171.043 174.900 -0.769 0.000 1.298 96 G CA 0.394 45.171 45.100 -0.539 0.000 0.940 96 G HN -0.844 6.927 8.290 -0.865 0.000 0.536 97 F N -1.251 118.636 119.950 -0.104 0.000 2.480 97 F HA 0.640 nan 4.527 nan 0.000 0.329 97 F C -0.741 175.137 175.800 0.129 0.000 1.091 97 F CA -2.150 55.895 58.000 0.075 0.000 0.972 97 F CB 2.425 41.636 39.000 0.352 0.000 1.150 97 F HN 0.208 8.762 8.300 -0.190 -0.368 0.467 98 A N 2.300 125.273 122.820 0.255 0.000 2.340 98 A HA 0.629 nan 4.320 nan 0.000 0.331 98 A C -3.029 174.248 177.584 -0.512 0.000 1.140 98 A CA -3.542 48.509 52.037 0.023 0.000 0.801 98 A CB 0.931 19.948 19.000 0.029 0.000 1.234 98 A HN 0.329 8.606 8.150 0.211 0.000 0.469 99 P HA 0.273 nan 4.420 nan 0.000 0.271 99 P C -1.662 175.224 177.300 -0.690 0.000 1.216 99 P CA 0.202 62.288 63.100 -1.690 0.000 0.771 99 P CB 0.466 31.106 31.700 -1.767 0.000 0.864 100 F N 4.071 123.542 119.950 -0.799 0.000 2.532 100 F HA 0.260 nan 4.527 nan 0.000 0.276 100 F C -0.894 174.705 175.800 -0.334 0.000 0.911 100 F CA 0.169 57.905 58.000 -0.440 0.000 1.196 100 F CB 2.984 41.773 39.000 -0.352 0.000 1.087 100 F HN 0.215 8.060 8.300 -0.758 0.000 0.775 101 S N -0.774 114.832 115.700 -0.155 0.000 2.536 101 S HA 0.267 nan 4.470 nan 0.000 0.271 101 S C -2.468 172.053 174.600 -0.132 0.000 1.134 101 S CA -0.160 57.928 58.200 -0.186 0.000 0.897 101 S CB 2.916 66.021 63.200 -0.158 0.000 1.094 101 S HN -0.264 7.965 8.310 -0.135 0.000 0.473 102 K N 2.390 122.720 120.400 -0.117 0.000 2.477 102 K HA 0.333 nan 4.320 nan 0.000 0.255 102 K C -1.702 174.859 176.600 -0.065 0.000 0.952 102 K CA -1.044 55.213 56.287 -0.050 0.000 0.826 102 K CB 2.847 35.346 32.500 -0.002 0.000 1.331 102 K HN 0.201 8.369 8.250 -0.136 0.000 0.437 103 D N 1.535 121.903 120.400 -0.054 0.000 2.480 103 D HA 0.129 nan 4.640 nan 0.000 0.243 103 D C 0.343 176.614 176.300 -0.048 0.000 1.120 103 D CA -0.215 53.734 54.000 -0.084 0.000 0.835 103 D CB 1.191 41.897 40.800 -0.157 0.000 1.204 103 D HN 0.152 8.506 8.370 -0.026 0.000 0.513 104 N N -1.994 116.701 118.700 -0.007 0.000 2.776 104 N HA -0.317 nan 4.740 nan 0.000 0.250 104 N C 0.904 176.421 175.510 0.012 0.000 1.112 104 N CA 1.172 54.235 53.050 0.021 0.000 0.733 104 N CB -1.160 37.340 38.487 0.022 0.000 1.097 104 N HN -0.261 8.122 8.380 0.005 0.000 0.558 105 S N 0.070 115.764 115.700 -0.010 0.000 2.393 105 S HA -0.502 nan 4.470 nan 0.000 0.234 105 S C 0.961 175.572 174.600 0.020 0.000 1.064 105 S CA 3.958 62.153 58.200 -0.008 0.000 1.088 105 S CB 0.001 63.187 63.200 -0.025 0.000 0.939 105 S HN -0.283 8.268 8.310 -0.027 -0.257 0.448 106 I N -1.056 119.544 120.570 0.049 0.000 2.233 106 I HA -0.302 nan 4.170 nan 0.000 0.243 106 I C 1.649 177.796 176.117 0.050 0.000 1.093 106 I CA 1.154 62.488 61.300 0.057 0.000 1.380 106 I CB -1.060 37.025 38.000 0.142 0.000 1.067 106 I HN -0.528 7.720 8.210 0.064 0.000 0.413 107 R N -1.099 119.442 120.500 0.068 0.000 2.097 107 R HA -0.314 nan 4.340 nan 0.000 0.236 107 R C 3.051 179.379 176.300 0.046 0.000 1.135 107 R CA 3.271 59.415 56.100 0.074 0.000 0.934 107 R CB -0.302 30.042 30.300 0.073 0.000 0.846 107 R HN -0.741 7.571 8.270 0.070 0.000 0.431 108 L N -1.564 119.673 121.223 0.023 0.000 2.127 108 L HA -0.315 nan 4.340 nan 0.000 0.211 108 L C 2.158 179.021 176.870 -0.011 0.000 1.089 108 L CA 2.650 57.493 54.840 0.004 0.000 0.757 108 L CB -0.741 41.315 42.059 -0.006 0.000 0.899 108 L HN -0.257 7.987 8.230 0.023 0.000 0.434 109 S N -0.663 115.022 115.700 -0.025 0.000 2.488 109 S HA -0.284 nan 4.470 nan 0.000 0.246 109 S C 0.711 175.261 174.600 -0.083 0.000 0.992 109 S CA 2.656 60.809 58.200 -0.079 0.000 0.963 109 S CB -0.779 62.332 63.200 -0.149 0.000 0.754 109 S HN -0.368 7.825 8.310 -0.012 0.110 0.519 110 A N -1.318 121.488 122.820 -0.023 0.000 2.081 110 A HA 0.168 nan 4.320 nan 0.000 0.214 110 A C 0.786 178.364 177.584 -0.010 0.000 1.158 110 A CA 1.412 53.451 52.037 0.003 0.000 0.724 110 A CB 0.438 19.481 19.000 0.071 0.000 0.826 110 A HN -0.125 7.846 8.150 0.002 0.180 0.463 111 G N -3.508 105.283 108.800 -0.015 0.000 3.228 111 G HA2 0.159 nan 3.960 nan 0.000 0.245 111 G HA3 0.159 nan 3.960 nan 0.000 0.245 111 G C -0.724 174.158 174.900 -0.029 0.000 1.051 111 G CA -0.166 44.921 45.100 -0.022 0.000 0.809 111 G HN 0.075 8.231 8.290 -0.011 0.127 0.531 112 G N -0.987 107.792 108.800 -0.035 0.000 2.708 112 G HA2 0.121 nan 3.960 nan 0.000 0.289 112 G HA3 0.121 nan 3.960 nan 0.000 0.289 112 G C -2.782 172.089 174.900 -0.049 0.000 1.416 112 G CA -0.228 44.852 45.100 -0.034 0.000 0.829 112 G HN -0.512 7.755 8.290 -0.039 0.000 0.480 113 D N 0.790 121.164 120.400 -0.043 0.000 2.441 113 D HA 0.188 nan 4.640 nan 0.000 0.221 113 D C -1.206 175.068 176.300 -0.043 0.000 1.156 113 D CA -0.101 53.853 54.000 -0.077 0.000 0.896 113 D CB -0.149 40.594 40.800 -0.095 0.000 1.028 113 D HN 0.084 8.439 8.370 -0.025 0.000 0.509 114 I N 1.282 121.821 120.570 -0.051 0.000 2.441 114 I HA 0.430 nan 4.170 nan 0.000 0.295 114 I C -0.434 175.701 176.117 0.031 0.000 0.994 114 I CA -2.888 58.441 61.300 0.049 0.000 1.144 114 I CB 1.540 39.573 38.000 0.054 0.000 1.314 114 I HN -0.498 7.655 8.210 -0.095 0.000 0.445 115 W N 5.810 127.142 121.300 0.052 0.000 2.160 115 W HA -0.178 nan 4.660 nan 0.000 0.352 115 W C -0.552 175.999 176.519 0.054 0.000 1.288 115 W CA 1.812 59.180 57.345 0.038 0.000 1.279 115 W CB 0.301 29.783 29.460 0.036 0.000 1.181 115 W HN 0.537 9.008 8.180 0.486 0.000 0.593 116 V N 1.667 121.796 119.914 0.359 0.000 2.407 116 V HA 0.266 nan 4.120 nan 0.000 0.278 116 V C -0.706 175.586 176.094 0.329 0.000 1.037 116 V CA -0.499 61.961 62.300 0.267 0.000 0.900 116 V CB -0.500 31.455 31.823 0.221 0.000 0.983 116 V HN -0.129 8.319 8.190 0.430 0.000 0.459 117 T N 4.146 118.870 114.554 0.283 0.000 2.676 117 T HA 0.734 nan 4.350 nan 0.000 0.269 117 T C -0.821 174.003 174.700 0.207 0.000 0.952 117 T CA -2.017 60.238 62.100 0.258 0.000 1.040 117 T CB 2.927 71.996 68.868 0.334 0.000 1.352 117 T HN 0.445 8.840 8.240 0.259 0.000 0.554 118 R N -2.680 117.931 120.500 0.185 0.000 3.625 118 R HA -0.077 nan 4.340 nan 0.000 0.272 118 R C -1.581 174.803 176.300 0.141 0.000 0.944 118 R CA 0.463 56.641 56.100 0.130 0.000 0.834 118 R CB 2.601 32.946 30.300 0.075 0.000 1.370 118 R HN -0.038 8.355 8.270 0.205 0.000 0.536 119 E N -2.231 118.019 120.200 0.083 0.000 2.228 119 E HA -0.319 nan 4.350 nan 0.000 0.213 119 E C -2.142 174.676 176.600 0.362 0.000 1.282 119 E CA 0.787 57.307 56.400 0.200 0.000 0.707 119 E CB -1.759 28.047 29.700 0.175 0.000 1.150 119 E HN -0.093 8.457 8.360 -0.027 -0.207 0.362 120 P HA 0.125 nan 4.420 nan 0.000 0.297 120 P C -2.153 175.184 177.300 0.062 0.000 1.303 120 P CA -0.292 62.924 63.100 0.194 0.000 0.753 120 P CB 1.180 32.952 31.700 0.119 0.000 1.281 121 Y N -10.726 109.262 120.300 -0.519 0.000 2.860 121 Y HA 0.056 nan 4.550 nan 0.000 0.389 121 Y C -2.980 172.729 175.900 -0.319 0.000 1.143 121 Y CA -0.659 56.915 58.100 -0.877 0.000 1.330 121 Y CB 0.169 38.423 38.460 -0.344 0.000 1.481 121 Y HN -0.338 7.752 8.280 -0.316 0.000 0.511 122 V N -1.714 118.108 119.914 -0.153 0.000 2.876 122 V HA 0.784 nan 4.120 nan 0.000 0.312 122 V C -2.606 173.333 176.094 -0.258 0.000 1.085 122 V CA -2.642 59.581 62.300 -0.129 0.000 0.945 122 V CB 3.014 34.712 31.823 -0.208 0.000 1.017 122 V HN 0.271 8.380 8.190 -0.136 0.000 0.428 123 S N 3.970 119.670 115.700 -0.000 0.000 2.579 123 S HA 0.486 nan 4.470 nan 0.000 0.272 123 S C -1.724 173.089 174.600 0.355 0.000 1.141 123 S CA -1.705 56.547 58.200 0.086 0.000 0.843 123 S CB 2.724 66.117 63.200 0.322 0.000 1.122 123 S HN 0.034 8.504 8.310 0.268 0.000 0.468 124 c N 0.922 119.710 118.600 0.313 0.000 2.994 124 c HA 0.901 nan 4.570 nan 0.000 0.305 124 c C -0.804 173.385 174.090 0.165 0.000 1.251 124 c CA -2.086 54.480 56.329 0.395 0.000 1.478 124 c CB 4.266 46.943 42.510 0.278 0.000 1.922 124 c HN 0.643 9.006 8.230 0.221 0.000 0.472 125 D N 2.458 122.931 120.400 0.121 0.000 2.529 125 D HA 0.351 nan 4.640 nan 0.000 0.273 125 D C -1.810 174.352 176.300 -0.230 0.000 1.197 125 D CA -1.845 51.886 54.000 -0.447 0.000 1.070 125 D CB -0.895 39.427 40.800 -0.796 0.000 1.134 125 D HN -0.046 8.592 8.370 0.447 0.000 0.590 126 P HA -0.155 nan 4.420 nan 0.000 0.234 126 P C -1.169 176.089 177.300 -0.069 0.000 1.162 126 P CA 0.664 63.664 63.100 -0.167 0.000 0.759 126 P CB -0.041 31.551 31.700 -0.180 0.000 0.813 127 V N -9.113 110.789 119.914 -0.021 0.000 3.278 127 V HA 0.261 nan 4.120 nan 0.000 0.215 127 V C -0.072 176.043 176.094 0.035 0.000 1.287 127 V CA -0.082 62.230 62.300 0.021 0.000 1.302 127 V CB 1.503 33.347 31.823 0.034 0.000 1.228 127 V HN -0.141 8.247 8.190 -0.023 -0.211 0.523 128 K N -0.037 120.406 120.400 0.071 0.000 2.156 128 K HA 0.344 nan 4.320 nan 0.000 0.254 128 K C -1.598 174.907 176.600 -0.157 0.000 0.950 128 K CA -1.267 54.939 56.287 -0.135 0.000 0.849 128 K CB 3.151 35.403 32.500 -0.413 0.000 1.100 128 K HN -0.074 8.578 8.250 0.196 -0.284 0.434 129 c N 3.275 121.754 118.600 -0.201 0.000 2.347 129 c HA 0.574 nan 4.570 nan 0.000 0.353 129 c C -0.670 173.235 174.090 -0.309 0.000 1.273 129 c CA -0.183 56.121 56.329 -0.042 0.000 1.861 129 c CB -0.722 41.891 42.510 0.172 0.000 2.420 129 c HN 0.543 8.659 8.230 -0.191 0.000 0.542 130 Y N 2.753 123.103 120.300 0.082 0.000 2.568 130 Y HA 0.446 nan 4.550 nan 0.000 0.327 130 Y C -1.434 174.391 175.900 -0.125 0.000 1.163 130 Y CA -1.840 56.207 58.100 -0.088 0.000 1.219 130 Y CB 3.019 41.327 38.460 -0.253 0.000 1.308 130 Y HN 1.119 9.556 8.280 0.445 0.111 0.503 131 Q N -2.031 117.691 119.800 -0.130 0.000 2.321 131 Q HA 0.708 nan 4.340 nan 0.000 0.270 131 Q C -1.471 174.422 176.000 -0.178 0.000 1.032 131 Q CA -1.432 54.312 55.803 -0.098 0.000 0.784 131 Q CB 2.681 31.341 28.738 -0.130 0.000 1.264 131 Q HN 0.391 8.562 8.270 -0.165 0.000 0.448 132 F N 3.050 122.822 119.950 -0.296 0.000 2.525 132 F HA 0.659 nan 4.527 nan 0.000 0.346 132 F C -1.215 174.430 175.800 -0.259 0.000 1.072 132 F CA -2.182 55.549 58.000 -0.448 0.000 1.033 132 F CB 3.426 41.762 39.000 -1.107 0.000 1.324 132 F HN 0.901 9.129 8.300 0.055 0.105 0.491 133 A N -4.044 118.764 122.820 -0.020 0.000 2.529 133 A HA 0.300 nan 4.320 nan 0.000 0.300 133 A C -2.753 174.833 177.584 0.003 0.000 0.942 133 A CA 0.412 52.516 52.037 0.110 0.000 0.614 133 A CB 1.728 20.928 19.000 0.334 0.000 1.367 133 A HN -0.030 8.070 8.150 -0.084 0.000 0.443 134 L N -1.226 120.048 121.223 0.086 0.000 2.307 134 L HA 0.731 nan 4.340 nan 0.000 0.284 134 L C 0.168 177.070 176.870 0.054 0.000 1.023 134 L CA -1.345 53.524 54.840 0.048 0.000 0.810 134 L CB 1.039 43.181 42.059 0.139 0.000 1.231 134 L HN -0.071 8.252 8.230 0.155 0.000 0.423 135 G N 2.033 110.825 108.800 -0.014 0.000 2.531 135 G HA2 0.236 nan 3.960 nan 0.000 0.281 135 G HA3 0.236 nan 3.960 nan 0.000 0.281 135 G C -1.340 173.700 174.900 0.233 0.000 1.382 135 G CA -0.728 44.444 45.100 0.120 0.000 1.045 135 G HN 0.560 8.786 8.290 -0.107 0.000 0.533 136 Q N -0.366 119.649 119.800 0.359 0.000 2.563 136 Q HA 0.168 nan 4.340 nan 0.000 0.367 136 Q C 0.261 176.475 176.000 0.357 0.000 0.845 136 Q CA -1.565 54.424 55.803 0.310 0.000 1.077 136 Q CB 1.151 30.047 28.738 0.263 0.000 1.409 136 Q HN -0.271 8.302 8.270 0.505 0.000 0.396 137 G N -1.474 107.612 108.800 0.477 0.000 2.420 137 G HA2 -0.355 nan 3.960 nan 0.000 0.305 137 G HA3 -0.355 nan 3.960 nan 0.000 0.305 137 G C -1.336 173.652 174.900 0.146 0.000 0.971 137 G CA 1.265 46.637 45.100 0.453 0.000 0.843 137 G HN 0.388 8.948 8.290 0.451 0.000 0.512 138 T N -3.623 110.911 114.554 -0.034 0.000 2.630 138 T HA 0.259 nan 4.350 nan 0.000 0.300 138 T C -2.227 172.117 174.700 -0.594 0.000 1.261 138 T CA -0.894 60.994 62.100 -0.352 0.000 1.060 138 T CB 1.946 70.763 68.868 -0.084 0.000 1.670 138 T HN -0.446 7.888 8.240 0.228 0.042 0.473 139 T N 0.745 115.051 114.554 -0.414 0.000 2.887 139 T HA 0.619 nan 4.350 nan 0.000 0.292 139 T C 0.316 174.887 174.700 -0.216 0.000 1.087 139 T CA -0.750 61.128 62.100 -0.369 0.000 1.009 139 T CB 2.526 71.155 68.868 -0.399 0.000 1.203 139 T HN -0.149 8.015 8.240 -0.310 -0.110 0.518 140 L N 2.265 123.345 121.223 -0.238 0.000 2.027 140 L HA -0.176 nan 4.340 nan 0.000 0.206 140 L C 0.086 176.772 176.870 -0.307 0.000 1.074 140 L CA 3.542 58.165 54.840 -0.362 0.000 0.745 140 L CB 0.535 42.270 42.059 -0.539 0.000 0.898 140 L HN 0.239 8.333 8.230 -0.226 0.000 0.433 141 D N -3.783 116.483 120.400 -0.224 0.000 2.504 141 D HA -0.097 nan 4.640 nan 0.000 0.243 141 D C -1.184 175.059 176.300 -0.095 0.000 1.203 141 D CA -0.141 53.777 54.000 -0.137 0.000 0.847 141 D CB -1.061 39.674 40.800 -0.109 0.000 0.973 141 D HN 0.113 8.351 8.370 -0.220 0.000 0.490 142 N N -0.221 118.422 118.700 -0.095 0.000 2.408 142 N HA 0.097 nan 4.740 nan 0.000 0.280 142 N C 0.234 175.770 175.510 0.043 0.000 1.002 142 N CA -0.315 52.693 53.050 -0.069 0.000 0.907 142 N CB 2.064 40.472 38.487 -0.132 0.000 1.161 142 N HN -0.797 7.377 8.380 -0.110 0.139 0.488 143 K N 3.371 123.820 120.400 0.082 0.000 2.360 143 K HA -0.335 nan 4.320 nan 0.000 0.201 143 K C 1.377 178.077 176.600 0.166 0.000 1.046 143 K CA 2.717 59.073 56.287 0.115 0.000 0.940 143 K CB -0.218 32.337 32.500 0.090 0.000 0.748 143 K HN 0.609 8.888 8.250 0.049 0.000 0.465 144 H N -1.391 117.682 119.070 0.006 0.000 2.256 144 H HA -0.151 nan 4.556 nan 0.000 0.299 144 H C 1.385 176.757 175.328 0.074 0.000 1.071 144 H CA 1.918 57.981 56.048 0.025 0.000 1.280 144 H CB -0.077 29.688 29.762 0.005 0.000 1.370 144 H HN 0.129 8.532 8.280 0.323 0.071 0.490 145 S N -2.046 113.793 115.700 0.232 0.000 2.471 145 S HA -0.419 nan 4.470 nan 0.000 0.260 145 S C 0.241 175.012 174.600 0.285 0.000 1.116 145 S CA 1.389 59.730 58.200 0.236 0.000 1.069 145 S CB -0.003 63.324 63.200 0.211 0.000 0.897 145 S HN -0.162 8.273 8.310 0.207 0.000 0.471 146 N N 2.166 121.019 118.700 0.255 0.000 2.301 146 N HA -0.327 nan 4.740 nan 0.000 0.267 146 N C -0.638 175.010 175.510 0.231 0.000 1.304 146 N CA 1.495 54.692 53.050 0.245 0.000 0.851 146 N CB -0.275 38.261 38.487 0.083 0.000 1.070 146 N HN -0.722 7.732 8.380 0.216 0.056 0.483 147 D N 1.676 122.243 120.400 0.279 0.000 2.995 147 D HA -0.331 nan 4.640 nan 0.000 0.219 147 D C 0.173 176.636 176.300 0.273 0.000 1.090 147 D CA 1.432 55.593 54.000 0.267 0.000 0.816 147 D CB -1.851 39.156 40.800 0.344 0.000 1.091 147 D HN 0.304 8.863 8.370 0.315 0.000 0.440 148 T N -0.883 113.808 114.554 0.227 0.000 3.160 148 T HA -0.017 nan 4.350 nan 0.000 0.257 148 T C 0.579 175.352 174.700 0.120 0.000 1.147 148 T CA 2.262 64.493 62.100 0.217 0.000 1.064 148 T CB -0.296 68.731 68.868 0.266 0.000 0.949 148 T HN 0.093 8.479 8.240 0.242 0.000 0.526 149 V N -4.955 114.953 119.914 -0.010 0.000 2.407 149 V HA -0.170 nan 4.120 nan 0.000 0.248 149 V C 0.817 176.830 176.094 -0.135 0.000 1.055 149 V CA 1.179 63.404 62.300 -0.126 0.000 1.049 149 V CB -0.880 30.782 31.823 -0.268 0.000 0.662 149 V HN -0.361 7.734 8.190 -0.004 0.092 0.455 150 H N 0.333 119.428 119.070 0.043 0.000 2.886 150 H HA 0.069 nan 4.556 nan 0.000 0.329 150 H C 0.542 175.871 175.328 0.002 0.000 1.044 150 H CA 0.630 56.684 56.048 0.010 0.000 1.456 150 H CB 0.740 30.503 29.762 0.002 0.000 1.464 150 H HN -0.716 7.410 8.280 -0.210 0.028 0.573 151 D N 2.736 123.182 120.400 0.077 0.000 2.183 151 D HA -0.103 nan 4.640 nan 0.000 0.203 151 D C -0.484 175.790 176.300 -0.042 0.000 0.969 151 D CA 2.695 56.706 54.000 0.018 0.000 0.842 151 D CB 0.395 41.183 40.800 -0.021 0.000 0.957 151 D HN 0.300 8.708 8.370 0.063 0.000 0.484 152 R N -2.770 117.639 120.500 -0.151 0.000 2.670 152 R HA 0.266 nan 4.340 nan 0.000 0.289 152 R C -1.792 174.414 176.300 -0.156 0.000 0.965 152 R CA -0.723 55.184 56.100 -0.321 0.000 0.899 152 R CB 2.580 32.355 30.300 -0.875 0.000 1.173 152 R HN -0.319 7.886 8.270 -0.108 0.000 0.456 153 I N -3.318 117.235 120.570 -0.029 0.000 2.793 153 I HA 0.415 nan 4.170 nan 0.000 0.295 153 I C -2.174 173.978 176.117 0.059 0.000 1.610 153 I CA -3.515 57.767 61.300 -0.030 0.000 0.986 153 I CB 3.006 40.972 38.000 -0.057 0.000 1.402 153 I HN -0.188 8.080 8.210 0.096 0.000 0.500 154 P HA -0.205 nan 4.420 nan 0.000 0.214 154 P C -0.000 177.352 177.300 0.086 0.000 1.163 154 P CA 2.126 65.215 63.100 -0.019 0.000 0.889 154 P CB 0.066 31.675 31.700 -0.152 0.000 0.790 155 H N -2.383 116.766 119.070 0.132 0.000 3.792 155 H HA 0.095 nan 4.556 nan 0.000 0.216 155 H C -0.806 174.618 175.328 0.161 0.000 1.525 155 H CA -1.087 55.042 56.048 0.134 0.000 1.309 155 H CB -2.703 27.140 29.762 0.135 0.000 1.540 155 H HN 0.215 8.143 8.280 -0.586 0.000 0.711 156 R N 0.342 120.985 120.500 0.237 0.000 2.561 156 R HA 0.314 nan 4.340 nan 0.000 0.297 156 R C -1.672 174.686 176.300 0.096 0.000 0.969 156 R CA -0.876 55.340 56.100 0.193 0.000 0.879 156 R CB 3.558 33.996 30.300 0.229 0.000 1.178 156 R HN -0.380 7.946 8.270 0.212 0.071 0.445 157 T N -0.889 113.661 114.554 -0.008 0.000 2.906 157 T HA 0.581 nan 4.350 nan 0.000 0.295 157 T C -2.056 172.513 174.700 -0.218 0.000 1.075 157 T CA -2.204 59.822 62.100 -0.123 0.000 1.005 157 T CB 2.658 71.422 68.868 -0.173 0.000 1.136 157 T HN 0.309 8.537 8.240 -0.020 0.000 0.498 158 L N 2.906 123.999 121.223 -0.216 0.000 2.295 158 L HA 0.561 nan 4.340 nan 0.000 0.288 158 L C -1.476 175.154 176.870 -0.399 0.000 1.079 158 L CA -0.757 53.947 54.840 -0.225 0.000 0.830 158 L CB 0.373 42.354 42.059 -0.129 0.000 1.200 158 L HN -0.021 8.095 8.230 -0.190 0.000 0.438 159 L N 5.835 126.716 121.223 -0.570 0.000 2.479 159 L HA 0.491 nan 4.340 nan 0.000 0.249 159 L C -0.879 175.520 176.870 -0.784 0.000 1.178 159 L CA -0.652 53.679 54.840 -0.848 0.000 0.811 159 L CB 0.889 42.079 42.059 -1.449 0.000 1.187 159 L HN 0.319 8.239 8.230 -0.516 0.000 0.480 160 M N -1.607 117.515 119.600 -0.797 0.000 2.373 160 M HA 0.133 nan 4.480 nan 0.000 0.290 160 M C -2.639 173.396 176.300 -0.441 0.000 1.143 160 M CA 0.214 55.017 55.300 -0.829 0.000 0.949 160 M CB 3.646 35.686 32.600 -0.933 0.000 1.756 160 M HN -0.025 7.808 8.290 -0.761 0.000 0.494 161 N N 2.258 120.820 118.700 -0.229 0.000 3.046 161 N HA 0.269 nan 4.740 nan 0.000 0.243 161 N C -2.495 173.057 175.510 0.070 0.000 1.452 161 N CA -0.466 52.588 53.050 0.006 0.000 0.882 161 N CB 4.274 42.853 38.487 0.155 0.000 1.425 161 N HN -0.173 8.003 8.380 -0.340 0.000 0.517 162 E N -0.468 119.742 120.200 0.016 0.000 2.392 162 E HA 0.131 nan 4.350 nan 0.000 0.259 162 E C -0.557 175.914 176.600 -0.214 0.000 1.108 162 E CA 0.487 56.745 56.400 -0.236 0.000 0.916 162 E CB 0.771 30.341 29.700 -0.217 0.000 0.989 162 E HN 0.186 8.566 8.360 0.034 0.000 0.432 163 L N 2.434 123.487 121.223 -0.283 0.000 2.565 163 L HA -0.260 nan 4.340 nan 0.000 0.275 163 L C -0.359 176.391 176.870 -0.199 0.000 1.137 163 L CA 0.912 55.637 54.840 -0.192 0.000 0.915 163 L CB -0.761 41.217 42.059 -0.135 0.000 1.232 163 L HN 0.306 8.290 8.230 -0.409 0.000 0.473 164 G N 4.477 113.171 108.800 -0.177 0.000 2.813 164 G HA2 -0.175 nan 3.960 nan 0.000 0.194 164 G HA3 -0.175 nan 3.960 nan 0.000 0.194 164 G C -1.175 173.638 174.900 -0.144 0.000 1.010 164 G CA -0.272 44.725 45.100 -0.172 0.000 0.771 164 G HN -0.419 7.767 8.290 -0.173 0.000 0.485 165 V N 0.202 120.043 119.914 -0.122 0.000 2.617 165 V HA 0.539 nan 4.120 nan 0.000 0.298 165 V C -2.647 173.391 176.094 -0.093 0.000 1.048 165 V CA -3.533 58.714 62.300 -0.089 0.000 0.964 165 V CB 0.228 32.036 31.823 -0.026 0.000 1.004 165 V HN -0.712 7.408 8.190 -0.117 0.000 0.466 166 P HA 0.102 nan 4.420 nan 0.000 0.274 166 P C -1.455 175.954 177.300 0.181 0.000 1.256 166 P CA -0.792 62.273 63.100 -0.057 0.000 0.795 166 P CB 0.839 32.528 31.700 -0.018 0.000 1.038 167 F N -0.534 119.495 119.950 0.131 0.000 2.423 167 F HA 0.267 nan 4.527 nan 0.000 0.356 167 F C -0.463 175.529 175.800 0.319 0.000 1.170 167 F CA -1.714 56.381 58.000 0.158 0.000 1.163 167 F CB -0.780 38.266 39.000 0.076 0.000 1.318 167 F HN 0.248 8.593 8.300 0.076 0.000 0.569 168 H N 0.531 119.804 119.070 0.337 0.000 2.570 168 H HA 0.644 nan 4.556 nan 0.000 0.342 168 H C 0.518 176.024 175.328 0.297 0.000 1.245 168 H CA -2.774 53.425 56.048 0.252 0.000 1.318 168 H CB 2.386 32.218 29.762 0.116 0.000 1.694 168 H HN 0.551 9.146 8.280 0.526 0.000 0.592 169 L N -1.161 120.165 121.223 0.172 0.000 2.551 169 L HA -0.252 nan 4.340 nan 0.000 0.230 169 L C 0.723 177.601 176.870 0.013 0.000 1.163 169 L CA 1.773 56.654 54.840 0.069 0.000 0.826 169 L CB -0.302 41.754 42.059 -0.005 0.000 0.943 169 L HN 0.507 8.852 8.230 0.191 0.000 0.452 170 G N -3.805 104.883 108.800 -0.187 0.000 3.434 170 G HA2 0.022 nan 3.960 nan 0.000 0.258 170 G HA3 0.022 nan 3.960 nan 0.000 0.258 170 G C -0.683 173.916 174.900 -0.502 0.000 1.128 170 G CA -0.127 44.813 45.100 -0.266 0.000 0.792 170 G HN -0.595 7.444 8.290 -0.284 0.081 0.539 171 T N 2.198 116.460 114.554 -0.488 0.000 2.918 171 T HA 0.310 nan 4.350 nan 0.000 0.283 171 T C -1.065 173.429 174.700 -0.345 0.000 1.001 171 T CA -0.315 61.525 62.100 -0.434 0.000 1.041 171 T CB 0.911 69.503 68.868 -0.460 0.000 1.028 171 T HN -0.196 7.727 8.240 -0.282 0.147 0.511 172 R N 1.836 122.108 120.500 -0.381 0.000 2.532 172 R HA 0.280 nan 4.340 nan 0.000 0.295 172 R C -0.703 175.328 176.300 -0.448 0.000 0.968 172 R CA -1.256 54.637 56.100 -0.344 0.000 0.916 172 R CB 1.361 31.498 30.300 -0.272 0.000 1.124 172 R HN 0.356 8.388 8.270 -0.396 0.000 0.463 173 Q N 3.116 122.693 119.800 -0.372 0.000 2.566 173 Q HA 0.015 nan 4.340 nan 0.000 0.221 173 Q C -0.106 175.714 176.000 -0.299 0.000 1.195 173 Q CA 0.316 55.891 55.803 -0.380 0.000 0.967 173 Q CB -0.562 28.006 28.738 -0.283 0.000 1.337 173 Q HN 0.311 8.415 8.270 -0.277 0.000 0.553 174 V N 3.444 123.145 119.914 -0.354 0.000 3.026 174 V HA -0.203 nan 4.120 nan 0.000 0.265 174 V C -1.592 174.346 176.094 -0.259 0.000 1.121 174 V CA 0.664 62.759 62.300 -0.342 0.000 1.142 174 V CB 0.107 31.617 31.823 -0.521 0.000 0.730 174 V HN 0.300 8.238 8.190 -0.419 0.000 0.503 175 c N -6.515 111.955 118.600 -0.216 0.000 3.045 175 c HA 0.144 nan 4.570 nan 0.000 0.338 175 c C -2.174 171.836 174.090 -0.134 0.000 1.267 175 c CA -2.834 53.406 56.329 -0.148 0.000 1.177 175 c CB 0.980 43.411 42.510 -0.132 0.000 1.380 175 c HN -0.808 7.213 8.230 -0.240 0.065 0.469 176 I N 2.754 123.262 120.570 -0.103 0.000 2.472 176 I HA 0.573 nan 4.170 nan 0.000 0.290 176 I C -0.788 175.250 176.117 -0.132 0.000 1.016 176 I CA -0.145 61.103 61.300 -0.087 0.000 1.348 176 I CB 1.056 39.019 38.000 -0.062 0.000 1.417 176 I HN 0.231 8.385 8.210 -0.094 0.000 0.521 177 A N 4.414 127.166 122.820 -0.113 0.000 2.522 177 A HA 0.485 nan 4.320 nan 0.000 0.294 177 A C -2.434 175.165 177.584 0.025 0.000 1.001 177 A CA 0.312 52.240 52.037 -0.181 0.000 0.642 177 A CB 2.906 21.828 19.000 -0.129 0.000 1.326 177 A HN 0.532 8.656 8.150 -0.043 0.000 0.435 178 W N -4.806 116.505 121.300 0.019 0.000 1.832 178 W HA 0.367 nan 4.660 nan 0.000 0.297 178 W C -2.121 174.427 176.519 0.049 0.000 0.891 178 W CA -1.971 55.395 57.345 0.036 0.000 2.000 178 W CB 0.702 30.181 29.460 0.032 0.000 1.081 178 W HN 0.838 8.757 8.180 -0.269 0.100 0.499 179 S N -0.539 115.348 115.700 0.313 0.000 2.645 179 S HA 0.248 nan 4.470 nan 0.000 0.268 179 S C -2.049 172.605 174.600 0.090 0.000 1.110 179 S CA 0.286 58.629 58.200 0.238 0.000 0.823 179 S CB 1.432 64.810 63.200 0.298 0.000 1.091 179 S HN -0.732 7.604 8.310 0.153 0.066 0.466 180 S N 0.794 116.529 115.700 0.058 0.000 2.654 180 S HA 0.575 nan 4.470 nan 0.000 0.267 180 S C -2.720 171.820 174.600 -0.101 0.000 1.151 180 S CA 0.294 58.494 58.200 -0.000 0.000 0.873 180 S CB 2.217 65.483 63.200 0.109 0.000 1.181 180 S HN 0.511 9.066 8.310 0.064 -0.207 0.489 181 S N -0.567 115.073 115.700 -0.100 0.000 2.608 181 S HA 0.231 nan 4.470 nan 0.000 0.285 181 S C -2.629 171.933 174.600 -0.063 0.000 1.108 181 S CA 0.333 58.418 58.200 -0.191 0.000 0.858 181 S CB 1.015 64.116 63.200 -0.166 0.000 1.077 181 S HN -0.113 8.185 8.310 -0.021 0.000 0.450 182 S N 3.331 119.004 115.700 -0.046 0.000 2.572 182 S HA 0.736 nan 4.470 nan 0.000 0.274 182 S C -1.334 173.315 174.600 0.081 0.000 1.150 182 S CA -0.630 57.605 58.200 0.057 0.000 0.944 182 S CB 3.434 66.644 63.200 0.017 0.000 1.071 182 S HN -0.257 7.983 8.310 -0.118 0.000 0.479 183 c N 1.654 120.283 118.600 0.050 0.000 2.994 183 c HA 0.557 nan 4.570 nan 0.000 0.304 183 c C -2.014 171.942 174.090 -0.223 0.000 1.273 183 c CA -2.551 53.768 56.329 -0.016 0.000 1.537 183 c CB 3.603 46.128 42.510 0.025 0.000 2.001 183 c HN 0.247 8.498 8.230 0.034 0.000 0.471 184 H N 2.004 120.820 119.070 -0.422 0.000 2.673 184 H HA 0.236 nan 4.556 nan 0.000 0.293 184 H C 0.682 175.863 175.328 -0.245 0.000 1.065 184 H CA -1.275 54.384 56.048 -0.649 0.000 1.236 184 H CB 1.356 30.518 29.762 -1.000 0.000 1.389 184 H HN 0.417 8.644 8.280 -0.089 0.000 0.481 185 D N 6.209 126.580 120.400 -0.050 0.000 2.403 185 D HA -0.267 nan 4.640 nan 0.000 0.227 185 D C 0.388 176.806 176.300 0.197 0.000 0.995 185 D CA 1.335 55.407 54.000 0.119 0.000 0.928 185 D CB 0.253 41.162 40.800 0.183 0.000 0.887 185 D HN -0.352 7.917 8.370 -0.168 0.000 0.529 186 G N -0.649 108.291 108.800 0.234 0.000 2.953 186 G HA2 -0.407 nan 3.960 nan 0.000 0.201 186 G HA3 -0.407 nan 3.960 nan 0.000 0.201 186 G C 0.764 175.778 174.900 0.189 0.000 1.501 186 G CA 0.295 45.494 45.100 0.165 0.000 1.094 186 G HN -0.132 8.272 8.290 0.358 0.101 0.555 187 K N 2.485 122.922 120.400 0.061 0.000 2.103 187 K HA -0.076 nan 4.320 nan 0.000 0.204 187 K C 0.015 176.583 176.600 -0.052 0.000 1.052 187 K CA 0.720 57.004 56.287 -0.005 0.000 0.945 187 K CB 0.447 32.928 32.500 -0.031 0.000 0.722 187 K HN -0.306 8.105 8.250 0.102 -0.100 0.443 188 A N -3.630 118.953 122.820 -0.395 0.000 2.410 188 A HA 0.222 nan 4.320 nan 0.000 0.300 188 A C -2.701 174.279 177.584 -1.008 0.000 1.077 188 A CA -0.111 51.512 52.037 -0.690 0.000 0.610 188 A CB 1.303 20.037 19.000 -0.444 0.000 1.371 188 A HN -0.671 7.488 8.150 -0.359 -0.224 0.510 189 W N -3.179 117.681 121.300 -0.735 0.000 2.449 189 W HA 0.566 nan 4.660 nan 0.000 0.331 189 W C -0.936 175.313 176.519 -0.450 0.000 1.119 189 W CA -1.359 55.634 57.345 -0.586 0.000 1.240 189 W CB 1.687 30.779 29.460 -0.613 0.000 1.251 189 W HN 0.122 8.227 8.180 -0.125 0.000 0.576 190 L N 1.004 122.205 121.223 -0.037 0.000 2.341 190 L HA 0.596 nan 4.340 nan 0.000 0.278 190 L C -2.129 174.645 176.870 -0.161 0.000 1.005 190 L CA -1.027 53.875 54.840 0.103 0.000 0.818 190 L CB 2.611 44.769 42.059 0.165 0.000 1.259 190 L HN -0.172 8.013 8.230 -0.074 0.000 0.418 191 H N 5.449 124.570 119.070 0.084 0.000 2.423 191 H HA 0.272 nan 4.556 nan 0.000 0.237 191 H C -0.901 174.340 175.328 -0.145 0.000 1.391 191 H CA -1.534 54.513 56.048 -0.001 0.000 1.453 191 H CB -0.217 29.555 29.762 0.015 0.000 1.484 191 H HN 0.356 8.587 8.280 0.096 0.107 0.505 192 V N 3.745 123.540 119.914 -0.198 0.000 2.485 192 V HA -0.036 nan 4.120 nan 0.000 0.287 192 V C -2.110 173.858 176.094 -0.210 0.000 1.022 192 V CA 0.230 62.269 62.300 -0.436 0.000 1.067 192 V CB 0.210 31.609 31.823 -0.708 0.000 0.967 192 V HN -0.383 7.703 8.190 -0.173 0.000 0.479 193 c N 8.796 127.278 118.600 -0.196 0.000 2.482 193 c HA 0.623 nan 4.570 nan 0.000 0.317 193 c C -1.397 172.547 174.090 -0.243 0.000 1.197 193 c CA -1.944 54.289 56.329 -0.159 0.000 1.432 193 c CB 1.815 44.249 42.510 -0.126 0.000 2.062 193 c HN -0.125 7.972 8.230 -0.223 0.000 0.471 194 I N 2.652 123.016 120.570 -0.344 0.000 2.404 194 I HA 0.606 nan 4.170 nan 0.000 0.293 194 I C -1.244 174.065 176.117 -1.346 0.000 0.992 194 I CA -0.802 60.108 61.300 -0.649 0.000 1.149 194 I CB 1.818 39.483 38.000 -0.559 0.000 1.315 194 I HN 0.143 8.196 8.210 -0.261 0.000 0.446 195 T N 6.988 120.815 114.554 -1.211 0.000 2.885 195 T HA 0.329 nan 4.350 nan 0.000 0.322 195 T C -1.565 172.879 174.700 -0.426 0.000 1.387 195 T CA -0.577 60.763 62.100 -1.267 0.000 1.041 195 T CB 3.809 72.302 68.868 -0.624 0.000 1.287 195 T HN 0.748 8.537 8.240 -0.753 0.000 0.491 196 G N 2.696 111.548 108.800 0.087 0.000 2.350 196 G HA2 0.035 nan 3.960 nan 0.000 0.276 196 G HA3 0.035 nan 3.960 nan 0.000 0.276 196 G C -2.280 172.805 174.900 0.309 0.000 1.313 196 G CA 0.255 45.454 45.100 0.164 0.000 0.903 196 G HN -0.099 8.508 8.290 0.528 0.000 0.490 197 D N 1.447 121.953 120.400 0.177 0.000 2.344 197 D HA 0.046 nan 4.640 nan 0.000 0.244 197 D C 0.008 176.403 176.300 0.158 0.000 1.134 197 D CA 0.689 54.768 54.000 0.131 0.000 0.930 197 D CB 1.173 42.013 40.800 0.066 0.000 1.175 197 D HN -0.010 8.432 8.370 0.120 0.000 0.437 198 D N 1.445 121.881 120.400 0.060 0.000 2.088 198 D HA -0.260 nan 4.640 nan 0.000 0.191 198 D C 1.995 178.318 176.300 0.039 0.000 0.992 198 D CA 3.842 57.846 54.000 0.008 0.000 0.831 198 D CB 0.272 41.032 40.800 -0.067 0.000 0.973 198 D HN 0.259 8.640 8.370 0.019 0.000 0.447 199 K N -2.999 117.412 120.400 0.018 0.000 2.211 199 K HA -0.223 nan 4.320 nan 0.000 0.204 199 K C -0.670 175.942 176.600 0.020 0.000 1.047 199 K CA 1.745 58.040 56.287 0.013 0.000 0.935 199 K CB 0.227 32.732 32.500 0.009 0.000 0.728 199 K HN 0.053 8.309 8.250 0.009 0.000 0.452 200 N N -3.475 115.248 118.700 0.038 0.000 2.571 200 N HA 0.055 nan 4.740 nan 0.000 0.286 200 N C -2.689 172.856 175.510 0.058 0.000 1.138 200 N CA -0.527 52.542 53.050 0.031 0.000 0.859 200 N CB 1.134 39.637 38.487 0.026 0.000 1.414 200 N HN -0.675 7.597 8.380 0.055 0.141 0.529 201 A N 3.014 125.863 122.820 0.049 0.000 2.483 201 A HA 0.734 nan 4.320 nan 0.000 0.286 201 A C -2.557 175.006 177.584 -0.035 0.000 1.207 201 A CA -2.040 50.030 52.037 0.055 0.000 0.764 201 A CB 3.685 22.795 19.000 0.183 0.000 1.341 201 A HN -0.366 7.791 8.150 0.011 0.000 0.428 202 T N -2.284 112.213 114.554 -0.096 0.000 2.907 202 T HA 0.737 nan 4.350 nan 0.000 0.292 202 T C -2.206 172.406 174.700 -0.146 0.000 1.043 202 T CA -1.988 60.057 62.100 -0.092 0.000 1.003 202 T CB 2.544 71.379 68.868 -0.055 0.000 1.084 202 T HN 0.624 8.653 8.240 -0.139 0.128 0.483 203 A N 4.733 127.525 122.820 -0.047 0.000 2.409 203 A HA 0.696 nan 4.320 nan 0.000 0.300 203 A C -1.463 176.198 177.584 0.129 0.000 1.273 203 A CA -1.273 50.764 52.037 0.000 0.000 0.774 203 A CB 1.154 20.222 19.000 0.113 0.000 1.144 203 A HN 0.058 8.211 8.150 0.005 0.000 0.472 204 S N 4.128 119.847 115.700 0.033 0.000 2.523 204 S HA 0.350 nan 4.470 nan 0.000 0.275 204 S C -1.093 173.585 174.600 0.130 0.000 1.281 204 S CA -0.205 58.056 58.200 0.102 0.000 1.050 204 S CB 0.857 64.072 63.200 0.025 0.000 0.937 204 S HN -0.097 8.173 8.310 -0.067 0.000 0.492 205 F N 6.249 126.217 119.950 0.030 0.000 2.291 205 F HA 0.286 nan 4.527 nan 0.000 0.368 205 F C -1.518 174.335 175.800 0.089 0.000 1.085 205 F CA -1.206 56.829 58.000 0.058 0.000 1.165 205 F CB -0.121 38.908 39.000 0.048 0.000 1.429 205 F HN -0.096 8.442 8.300 0.397 0.000 0.503 206 I N 3.085 123.755 120.570 0.167 0.000 2.713 206 I HA 0.432 nan 4.170 nan 0.000 0.300 206 I C -1.989 174.291 176.117 0.272 0.000 1.009 206 I CA -0.515 60.902 61.300 0.195 0.000 1.305 206 I CB 1.452 39.544 38.000 0.152 0.000 1.430 206 I HN -0.078 8.177 8.210 0.075 0.000 0.546 207 Y N 5.407 125.763 120.300 0.093 0.000 2.376 207 Y HA -0.010 nan 4.550 nan 0.000 0.321 207 Y C -2.108 173.830 175.900 0.063 0.000 1.189 207 Y CA 0.092 58.228 58.100 0.060 0.000 1.069 207 Y CB 3.251 41.748 38.460 0.061 0.000 1.292 207 Y HN 0.716 9.140 8.280 0.240 0.000 0.430 208 D N 8.254 128.341 120.400 -0.522 0.000 2.911 208 D HA -0.426 nan 4.640 nan 0.000 0.227 208 D C -0.118 176.116 176.300 -0.110 0.000 1.164 208 D CA 1.448 55.216 54.000 -0.387 0.000 0.782 208 D CB -0.409 40.103 40.800 -0.480 0.000 1.094 208 D HN 0.730 8.760 8.370 -0.568 0.000 0.425 209 G N -4.619 104.165 108.800 -0.026 0.000 2.383 209 G HA2 -0.487 nan 3.960 nan 0.000 0.229 209 G HA3 -0.487 nan 3.960 nan 0.000 0.229 209 G C -0.045 174.874 174.900 0.032 0.000 1.089 209 G CA 0.042 45.144 45.100 0.004 0.000 0.640 209 G HN 0.373 8.634 8.290 0.002 0.031 0.510 210 R N 1.010 121.541 120.500 0.052 0.000 2.577 210 R HA 0.128 nan 4.340 nan 0.000 0.269 210 R C -1.560 174.807 176.300 0.111 0.000 1.084 210 R CA -1.546 54.599 56.100 0.074 0.000 1.163 210 R CB 1.586 31.934 30.300 0.081 0.000 1.100 210 R HN -0.417 7.789 8.270 0.042 0.089 0.547 211 L N 1.403 122.684 121.223 0.095 0.000 2.272 211 L HA 0.291 nan 4.340 nan 0.000 0.284 211 L C -0.785 176.154 176.870 0.114 0.000 1.045 211 L CA -0.616 54.290 54.840 0.110 0.000 0.842 211 L CB 0.185 42.291 42.059 0.078 0.000 1.224 211 L HN 0.117 8.392 8.230 0.074 0.000 0.430 212 V N 5.944 125.948 119.914 0.150 0.000 2.719 212 V HA -0.022 nan 4.120 nan 0.000 0.252 212 V C -0.766 175.376 176.094 0.080 0.000 1.065 212 V CA 1.304 63.675 62.300 0.118 0.000 1.086 212 V CB -0.120 31.781 31.823 0.131 0.000 0.700 212 V HN 0.169 8.474 8.190 0.193 0.000 0.467 213 D N -4.091 116.374 120.400 0.108 0.000 2.768 213 D HA 0.243 nan 4.640 nan 0.000 0.327 213 D C -2.494 173.852 176.300 0.078 0.000 1.302 213 D CA -0.457 53.567 54.000 0.040 0.000 0.897 213 D CB 3.899 44.652 40.800 -0.078 0.000 1.420 213 D HN -0.578 7.896 8.370 0.173 0.000 0.494 214 S N -1.044 114.658 115.700 0.004 0.000 2.556 214 S HA 0.562 nan 4.470 nan 0.000 0.280 214 S C -1.787 172.809 174.600 -0.006 0.000 1.141 214 S CA 0.296 58.527 58.200 0.052 0.000 0.883 214 S CB 2.622 65.854 63.200 0.052 0.000 1.103 214 S HN 0.067 8.342 8.310 -0.058 0.000 0.453 215 I N 3.973 124.566 120.570 0.038 0.000 2.610 215 I HA 0.318 nan 4.170 nan 0.000 0.289 215 I C -1.548 174.618 176.117 0.082 0.000 1.163 215 I CA -0.800 60.530 61.300 0.050 0.000 1.044 215 I CB 3.031 41.053 38.000 0.036 0.000 1.251 215 I HN 0.094 8.368 8.210 0.106 0.000 0.424 216 G N 4.926 113.767 108.800 0.069 0.000 2.522 216 G HA2 0.330 nan 3.960 nan 0.000 0.304 216 G HA3 0.330 nan 3.960 nan 0.000 0.304 216 G C -1.079 173.807 174.900 -0.022 0.000 1.210 216 G CA -1.008 44.105 45.100 0.021 0.000 0.960 216 G HN 0.018 8.356 8.290 0.081 0.000 0.497 217 S N -0.283 115.345 115.700 -0.120 0.000 2.558 217 S HA -0.112 nan 4.470 nan 0.000 0.287 217 S C -0.120 174.407 174.600 -0.122 0.000 1.321 217 S CA 0.243 58.271 58.200 -0.287 0.000 1.048 217 S CB 0.625 63.715 63.200 -0.184 0.000 0.844 217 S HN -0.299 7.963 8.310 -0.081 0.000 0.512 218 W N 0.709 122.037 121.300 0.046 0.000 2.940 218 W HA 0.474 nan 4.660 nan 0.000 0.297 218 W C -0.326 176.211 176.519 0.030 0.000 1.149 218 W CA -0.651 56.714 57.345 0.033 0.000 1.564 218 W CB 0.327 29.804 29.460 0.028 0.000 1.010 218 W HN 0.267 7.987 8.180 -1.120 -0.212 0.578 219 S N -0.570 115.215 115.700 0.141 0.000 2.520 219 S HA 0.075 nan 4.470 nan 0.000 0.219 219 S C -0.097 174.537 174.600 0.058 0.000 1.028 219 S CA 0.611 58.905 58.200 0.157 0.000 0.921 219 S CB 1.093 64.396 63.200 0.171 0.000 0.844 219 S HN -0.226 8.373 8.310 -0.143 -0.375 0.495 220 Q N -2.847 116.954 119.800 0.002 0.000 2.459 220 Q HA -0.282 nan 4.340 nan 0.000 0.244 220 Q C -0.886 175.111 176.000 -0.005 0.000 0.737 220 Q CA 0.896 56.699 55.803 0.000 0.000 1.243 220 Q CB -1.717 27.034 28.738 0.021 0.000 1.302 220 Q HN -0.224 8.159 8.270 -0.049 -0.142 0.740 221 N N -0.369 118.321 118.700 -0.018 0.000 2.725 221 N HA 0.224 nan 4.740 nan 0.000 0.248 221 N C -2.030 173.467 175.510 -0.021 0.000 1.402 221 N CA 0.007 53.049 53.050 -0.013 0.000 0.766 221 N CB 0.795 39.280 38.487 -0.003 0.000 1.223 221 N HN -0.562 7.958 8.380 -0.032 -0.159 0.515 222 I N -0.567 119.994 120.570 -0.015 0.000 7.989 222 I HA -0.566 nan 4.170 nan 0.000 0.126 222 I C -2.167 173.960 176.117 0.017 0.000 1.847 222 I CA 0.808 62.119 61.300 0.018 0.000 2.041 222 I CB -1.025 36.952 38.000 -0.038 0.000 3.747 222 I HN 0.227 8.346 8.210 -0.004 0.088 0.170 223 L N 6.321 127.571 121.223 0.044 0.000 2.315 223 L HA 0.086 nan 4.340 nan 0.000 0.283 223 L C -1.282 175.669 176.870 0.135 0.000 1.089 223 L CA -0.373 54.408 54.840 -0.099 0.000 0.833 223 L CB -0.127 41.776 42.059 -0.261 0.000 1.170 223 L HN 0.308 8.631 8.230 0.155 0.000 0.442 224 R N 5.630 126.187 120.500 0.095 0.000 2.854 224 R HA 0.731 nan 4.340 nan 0.000 0.271 224 R C -1.956 174.411 176.300 0.111 0.000 0.994 224 R CA -1.947 54.257 56.100 0.174 0.000 0.945 224 R CB 3.033 33.427 30.300 0.156 0.000 1.194 224 R HN 0.682 8.856 8.270 0.020 0.108 0.476 225 T N -1.285 113.334 114.554 0.108 0.000 2.604 225 T HA 0.462 nan 4.350 nan 0.000 0.267 225 T C 0.614 175.341 174.700 0.045 0.000 0.923 225 T CA -2.027 60.111 62.100 0.064 0.000 1.077 225 T CB 1.819 70.702 68.868 0.025 0.000 1.392 225 T HN 0.114 8.439 8.240 0.141 0.000 0.531 226 Q N 1.085 120.879 119.800 -0.009 0.000 2.030 226 Q HA -0.272 nan 4.340 nan 0.000 0.204 226 Q C 0.960 176.929 176.000 -0.051 0.000 0.986 226 Q CA 3.008 58.785 55.803 -0.043 0.000 0.843 226 Q CB 0.440 29.120 28.738 -0.096 0.000 0.904 226 Q HN 0.439 8.692 8.270 -0.027 0.000 0.420 227 E N -5.091 115.021 120.200 -0.147 0.000 2.468 227 E HA -0.336 nan 4.350 nan 0.000 0.264 227 E C -1.450 174.913 176.600 -0.394 0.000 1.069 227 E CA 0.925 57.234 56.400 -0.151 0.000 0.768 227 E CB -2.451 27.372 29.700 0.206 0.000 1.332 227 E HN -0.092 8.159 8.360 -0.182 0.000 0.398 228 S N -3.409 111.829 115.700 -0.769 0.000 2.636 228 S HA 0.197 nan 4.470 nan 0.000 0.268 228 S C -2.008 172.262 174.600 -0.549 0.000 1.159 228 S CA -1.419 56.459 58.200 -0.537 0.000 0.815 228 S CB 1.668 64.819 63.200 -0.081 0.000 1.130 228 S HN -0.795 7.056 8.310 -0.765 0.000 0.471 229 E N 0.019 120.120 120.200 -0.164 0.000 2.316 229 E HA 0.164 nan 4.350 nan 0.000 0.275 229 E C -0.278 176.298 176.600 -0.040 0.000 1.029 229 E CA -0.802 55.571 56.400 -0.044 0.000 0.871 229 E CB 0.441 30.196 29.700 0.093 0.000 1.022 229 E HN 0.255 8.610 8.360 -0.009 0.000 0.418 230 c N -0.314 118.260 118.600 -0.044 0.000 2.480 230 c HA 0.571 nan 4.570 nan 0.000 0.344 230 c C -0.524 173.571 174.090 0.008 0.000 1.380 230 c CA -1.839 54.466 56.329 -0.040 0.000 2.386 230 c CB 0.379 42.859 42.510 -0.049 0.000 2.210 230 c HN -0.229 7.928 8.230 -0.041 0.048 0.640 231 V N -0.824 119.085 119.914 -0.009 0.000 2.709 231 V HA 0.492 nan 4.120 nan 0.000 0.308 231 V C -2.266 173.866 176.094 0.063 0.000 1.062 231 V CA -1.079 61.248 62.300 0.045 0.000 0.901 231 V CB 3.746 35.547 31.823 -0.038 0.000 1.003 231 V HN 0.098 8.258 8.190 -0.050 0.000 0.425 232 c N 6.766 125.484 118.600 0.196 0.000 2.614 232 c HA 0.965 nan 4.570 nan 0.000 0.320 232 c C -1.768 172.517 174.090 0.324 0.000 1.200 232 c CA -2.331 54.102 56.329 0.174 0.000 1.700 232 c CB 2.508 45.102 42.510 0.140 0.000 2.275 232 c HN 0.534 8.962 8.230 0.330 0.000 0.492 233 I N -0.007 120.691 120.570 0.214 0.000 2.680 233 I HA 0.141 nan 4.170 nan 0.000 0.291 233 I C -0.574 175.607 176.117 0.107 0.000 1.244 233 I CA -0.258 61.210 61.300 0.281 0.000 1.042 233 I CB 3.642 41.818 38.000 0.294 0.000 1.277 233 I HN -0.207 8.070 8.210 0.111 0.000 0.423 234 N N 6.898 125.646 118.700 0.080 0.000 2.887 234 N HA -0.345 nan 4.740 nan 0.000 0.219 234 N C -0.250 175.025 175.510 -0.392 0.000 0.855 234 N CA 2.654 55.670 53.050 -0.058 0.000 1.164 234 N CB -0.274 38.206 38.487 -0.012 0.000 0.969 234 N HN 0.822 9.177 8.380 0.138 0.108 0.610 235 G N -4.856 103.748 108.800 -0.327 0.000 2.789 235 G HA2 -0.202 nan 3.960 nan 0.000 0.218 235 G HA3 -0.202 nan 3.960 nan 0.000 0.218 235 G C -1.456 173.329 174.900 -0.192 0.000 0.980 235 G CA -0.140 44.655 45.100 -0.508 0.000 0.848 235 G HN -0.096 7.990 8.290 -0.127 0.127 0.591 236 T N 3.464 117.975 114.554 -0.072 0.000 2.841 236 T HA 0.309 nan 4.350 nan 0.000 0.285 236 T C -1.344 173.365 174.700 0.014 0.000 0.991 236 T CA -0.407 61.698 62.100 0.008 0.000 0.966 236 T CB 1.727 70.641 68.868 0.077 0.000 0.962 236 T HN -0.427 7.780 8.240 -0.055 0.000 0.438 237 c N 7.780 126.388 118.600 0.013 0.000 2.273 237 c HA 0.671 nan 4.570 nan 0.000 0.328 237 c C -0.434 173.610 174.090 -0.077 0.000 1.275 237 c CA -0.994 55.330 56.329 -0.009 0.000 1.704 237 c CB 0.244 42.766 42.510 0.019 0.000 2.326 237 c HN 0.320 8.564 8.230 0.024 0.000 0.517 238 T N 6.279 120.720 114.554 -0.188 0.000 2.899 238 T HA 0.502 nan 4.350 nan 0.000 0.284 238 T C -1.607 172.988 174.700 -0.175 0.000 1.004 238 T CA -0.799 61.085 62.100 -0.361 0.000 1.043 238 T CB 0.962 69.554 68.868 -0.461 0.000 1.013 238 T HN 0.558 8.710 8.240 -0.146 0.000 0.518 239 V N 2.410 122.235 119.914 -0.148 0.000 2.781 239 V HA 0.297 nan 4.120 nan 0.000 0.289 239 V C -2.475 173.624 176.094 0.007 0.000 1.275 239 V CA 0.209 62.483 62.300 -0.042 0.000 0.936 239 V CB 3.036 34.874 31.823 0.025 0.000 1.074 239 V HN -0.003 8.054 8.190 -0.222 0.000 0.444 240 V N 4.698 124.611 119.914 -0.003 0.000 2.546 240 V HA 0.721 nan 4.120 nan 0.000 0.284 240 V C -1.139 175.023 176.094 0.114 0.000 1.050 240 V CA -2.294 60.033 62.300 0.045 0.000 0.981 240 V CB 0.576 32.403 31.823 0.006 0.000 0.990 240 V HN 0.305 8.474 8.190 -0.035 0.000 0.474 241 M N 4.878 124.603 119.600 0.208 0.000 2.327 241 M HA 0.576 nan 4.480 nan 0.000 0.298 241 M C -0.700 175.850 176.300 0.416 0.000 1.065 241 M CA -1.022 54.466 55.300 0.313 0.000 0.916 241 M CB 3.494 36.389 32.600 0.492 0.000 1.630 241 M HN 0.952 9.254 8.290 0.202 0.109 0.442 242 T N 4.622 119.329 114.554 0.256 0.000 2.940 242 T HA 0.712 nan 4.350 nan 0.000 0.288 242 T C -2.246 172.526 174.700 0.120 0.000 1.033 242 T CA -0.767 61.468 62.100 0.224 0.000 1.033 242 T CB 2.148 71.055 68.868 0.064 0.000 1.079 242 T HN 0.541 8.881 8.240 0.166 0.000 0.496 243 D N 1.239 121.723 120.400 0.140 0.000 2.400 243 D HA 0.336 nan 4.640 nan 0.000 0.197 243 D C -1.869 174.499 176.300 0.114 0.000 1.295 243 D CA 0.087 54.066 54.000 -0.034 0.000 0.878 243 D CB 2.155 42.640 40.800 -0.526 0.000 1.659 243 D HN -0.280 8.242 8.370 0.253 0.000 0.546 244 G N 4.364 113.205 108.800 0.069 0.000 2.667 244 G HA2 0.312 nan 3.960 nan 0.000 0.081 244 G HA3 0.312 nan 3.960 nan 0.000 0.081 244 G C -2.218 172.712 174.900 0.051 0.000 1.105 244 G CA 1.056 46.206 45.100 0.083 0.000 1.326 244 G HN -0.385 7.927 8.290 0.037 0.000 0.603 245 S N 2.476 118.214 115.700 0.064 0.000 2.774 245 S HA 0.386 nan 4.470 nan 0.000 0.297 245 S C -0.024 174.632 174.600 0.094 0.000 1.143 245 S CA -1.658 56.553 58.200 0.018 0.000 1.090 245 S CB 1.877 65.027 63.200 -0.083 0.000 1.019 245 S HN -0.199 8.175 8.310 0.105 0.000 0.482 246 A N 4.741 127.631 122.820 0.117 0.000 1.882 246 A HA -0.342 nan 4.320 nan 0.000 0.220 246 A C 0.059 177.705 177.584 0.104 0.000 1.253 246 A CA 2.746 54.910 52.037 0.212 0.000 0.664 246 A CB -0.223 18.848 19.000 0.118 0.000 0.838 246 A HN 0.500 8.693 8.150 0.072 0.000 0.460 247 S N 0.217 115.882 115.700 -0.058 0.000 2.665 247 S HA 0.193 nan 4.470 nan 0.000 0.230 247 S C -0.979 173.244 174.600 -0.627 0.000 1.326 247 S CA 0.263 58.353 58.200 -0.183 0.000 1.055 247 S CB -0.512 62.707 63.200 0.031 0.000 1.178 247 S HN -0.211 8.079 8.310 -0.033 0.000 0.489 248 G N 2.000 110.199 108.800 -1.001 0.000 2.325 248 G HA2 0.096 nan 3.960 nan 0.000 0.295 248 G HA3 0.096 nan 3.960 nan 0.000 0.295 248 G C -3.078 171.337 174.900 -0.808 0.000 1.274 248 G CA 0.375 44.745 45.100 -1.217 0.000 0.857 248 G HN -0.643 7.109 8.290 -0.843 0.032 0.499 249 R N -1.854 118.352 120.500 -0.490 0.000 2.783 249 R HA 0.122 nan 4.340 nan 0.000 0.276 249 R C -1.412 174.943 176.300 0.091 0.000 1.223 249 R CA 0.435 56.492 56.100 -0.072 0.000 1.173 249 R CB 1.516 31.794 30.300 -0.037 0.000 1.157 249 R HN 0.146 8.114 8.270 -0.502 0.000 0.600 250 A N -2.327 120.567 122.820 0.124 0.000 2.567 250 A HA 0.090 nan 4.320 nan 0.000 0.291 250 A C -2.121 175.532 177.584 0.114 0.000 1.048 250 A CA -0.428 51.675 52.037 0.110 0.000 0.661 250 A CB 2.771 21.802 19.000 0.052 0.000 1.288 250 A HN -0.070 8.159 8.150 0.132 0.000 0.424 251 D N -0.206 120.308 120.400 0.189 0.000 2.232 251 D HA 0.231 nan 4.640 nan 0.000 0.242 251 D C -1.067 175.347 176.300 0.191 0.000 1.093 251 D CA -0.800 53.293 54.000 0.155 0.000 0.845 251 D CB 2.146 43.035 40.800 0.148 0.000 1.124 251 D HN -0.067 8.460 8.370 0.263 0.000 0.467 252 T N 5.016 119.606 114.554 0.060 0.000 2.809 252 T HA 0.448 nan 4.350 nan 0.000 0.284 252 T C -1.587 173.102 174.700 -0.018 0.000 0.992 252 T CA -0.689 61.454 62.100 0.070 0.000 0.957 252 T CB 1.384 70.272 68.868 0.033 0.000 0.942 252 T HN 0.314 8.561 8.240 0.012 0.000 0.439 253 R N 5.232 125.724 120.500 -0.013 0.000 2.854 253 R HA 0.991 nan 4.340 nan 0.000 0.271 253 R C -1.666 174.663 176.300 0.049 0.000 0.996 253 R CA -1.878 54.164 56.100 -0.097 0.000 0.961 253 R CB 4.201 34.256 30.300 -0.407 0.000 1.182 253 R HN 0.643 8.996 8.270 0.137 0.000 0.479 254 I N 1.291 121.916 120.570 0.092 0.000 2.495 254 I HA 0.487 nan 4.170 nan 0.000 0.277 254 I C -1.000 175.270 176.117 0.255 0.000 1.045 254 I CA -1.366 60.013 61.300 0.131 0.000 1.135 254 I CB -0.811 37.276 38.000 0.145 0.000 1.241 254 I HN 0.519 8.781 8.210 0.087 0.000 0.469 255 L N 4.941 126.281 121.223 0.195 0.000 2.380 255 L HA 0.333 nan 4.340 nan 0.000 0.273 255 L C -0.902 176.104 176.870 0.227 0.000 1.138 255 L CA -0.185 54.819 54.840 0.273 0.000 0.832 255 L CB 0.153 42.351 42.059 0.232 0.000 1.124 255 L HN 0.175 8.502 8.230 0.161 0.000 0.454 256 F N 1.654 121.650 119.950 0.077 0.000 2.359 256 F HA 0.347 nan 4.527 nan 0.000 0.370 256 F C -0.853 174.995 175.800 0.080 0.000 1.077 256 F CA -1.853 56.214 58.000 0.111 0.000 1.136 256 F CB -0.065 39.068 39.000 0.222 0.000 1.387 256 F HN 0.617 9.280 8.300 0.604 0.000 0.468 257 I N 4.309 124.999 120.570 0.199 0.000 2.287 257 I HA 0.305 nan 4.170 nan 0.000 0.290 257 I C -1.642 174.504 176.117 0.048 0.000 1.069 257 I CA -1.229 60.143 61.300 0.120 0.000 1.237 257 I CB 1.224 39.361 38.000 0.228 0.000 1.418 257 I HN 0.223 8.533 8.210 0.166 0.000 0.481 258 E N 9.935 130.142 120.200 0.013 0.000 1.861 258 E HA -0.044 nan 4.350 nan 0.000 0.263 258 E C -1.203 175.291 176.600 -0.177 0.000 1.137 258 E CA -0.308 56.058 56.400 -0.058 0.000 0.944 258 E CB -0.758 28.933 29.700 -0.014 0.000 1.092 258 E HN 0.104 8.484 8.360 0.034 0.000 0.420 259 E N 2.538 122.505 120.200 -0.388 0.000 2.311 259 E HA -0.292 nan 4.350 nan 0.000 0.271 259 E C -0.342 175.805 176.600 -0.755 0.000 1.083 259 E CA -0.114 55.734 56.400 -0.919 0.000 0.780 259 E CB -1.837 27.566 29.700 -0.494 0.000 1.296 259 E HN 0.197 8.363 8.360 -0.324 0.000 0.404 260 G N -4.973 103.554 108.800 -0.457 0.000 2.196 260 G HA2 -0.523 nan 3.960 nan 0.000 0.268 260 G HA3 -0.523 nan 3.960 nan 0.000 0.268 260 G C -1.549 173.389 174.900 0.062 0.000 0.975 260 G CA 0.861 45.972 45.100 0.019 0.000 0.648 260 G HN 0.256 8.296 8.290 -0.416 0.000 0.538 261 K N -1.265 119.108 120.400 -0.045 0.000 2.425 261 K HA 0.204 nan 4.320 nan 0.000 0.259 261 K C -1.370 175.183 176.600 -0.078 0.000 0.978 261 K CA -2.440 53.814 56.287 -0.054 0.000 0.883 261 K CB 0.536 33.004 32.500 -0.052 0.000 1.110 261 K HN -0.636 7.454 8.250 -0.120 0.088 0.436 262 I N 5.560 126.022 120.570 -0.180 0.000 2.668 262 I HA -0.174 nan 4.170 nan 0.000 0.285 262 I C 0.445 176.517 176.117 -0.075 0.000 1.168 262 I CA 1.252 62.452 61.300 -0.167 0.000 1.424 262 I CB -0.556 37.265 38.000 -0.297 0.000 1.377 262 I HN -0.267 7.995 8.210 -0.256 -0.206 0.560 263 V N 1.280 121.196 119.914 0.003 0.000 3.528 263 V HA 0.309 nan 4.120 nan 0.000 0.294 263 V C -1.294 174.787 176.094 -0.021 0.000 1.404 263 V CA -1.065 61.230 62.300 -0.008 0.000 1.065 263 V CB 0.995 32.833 31.823 0.024 0.000 0.904 263 V HN 0.419 8.538 8.190 0.066 0.110 0.435 264 H N -1.240 117.737 119.070 -0.155 0.000 3.136 264 H HA 0.127 nan 4.556 nan 0.000 0.313 264 H C -2.852 172.351 175.328 -0.207 0.000 1.103 264 H CA -0.055 55.780 56.048 -0.354 0.000 1.437 264 H CB 2.574 31.812 29.762 -0.873 0.000 2.063 264 H HN -0.717 7.616 8.280 0.089 0.000 0.495 265 I N 5.155 125.866 120.570 0.236 0.000 2.493 265 I HA 0.344 nan 4.170 nan 0.000 0.298 265 I C -1.086 175.093 176.117 0.102 0.000 0.998 265 I CA -0.866 60.519 61.300 0.141 0.000 1.137 265 I CB 2.862 40.866 38.000 0.007 0.000 1.310 265 I HN 0.267 8.563 8.210 0.143 0.000 0.445 266 S N 5.643 121.377 115.700 0.057 0.000 2.647 266 S HA 0.470 nan 4.470 nan 0.000 0.300 266 S C -2.294 172.323 174.600 0.028 0.000 1.129 266 S CA -2.913 55.289 58.200 0.003 0.000 1.029 266 S CB 1.567 64.725 63.200 -0.072 0.000 1.007 266 S HN 0.105 8.529 8.310 0.190 0.000 0.484 267 P HA 0.165 nan 4.420 nan 0.000 0.271 267 P C -1.343 175.952 177.300 -0.009 0.000 1.216 267 P CA -0.259 62.811 63.100 -0.049 0.000 0.776 267 P CB 0.529 32.190 31.700 -0.064 0.000 0.881 268 L N 3.062 124.279 121.223 -0.010 0.000 2.456 268 L HA -0.101 nan 4.340 nan 0.000 0.272 268 L C -0.813 176.068 176.870 0.019 0.000 1.189 268 L CA 0.971 55.819 54.840 0.013 0.000 0.846 268 L CB 0.289 42.357 42.059 0.016 0.000 1.111 268 L HN -0.247 7.963 8.230 -0.034 0.000 0.475 269 A N 5.054 127.890 122.820 0.027 0.000 2.549 269 A HA 0.338 nan 4.320 nan 0.000 0.297 269 A C -2.206 175.401 177.584 0.038 0.000 1.061 269 A CA -0.501 51.556 52.037 0.032 0.000 0.690 269 A CB 2.544 21.560 19.000 0.026 0.000 1.287 269 A HN 0.189 8.356 8.150 0.028 0.000 0.402 270 G N -0.007 108.822 108.800 0.049 0.000 2.369 270 G HA2 -0.063 nan 3.960 nan 0.000 0.293 270 G HA3 -0.063 nan 3.960 nan 0.000 0.293 270 G C -1.094 173.860 174.900 0.089 0.000 1.301 270 G CA -0.103 45.031 45.100 0.057 0.000 0.913 270 G HN -0.355 7.966 8.290 0.052 0.000 0.540 271 S N 1.921 117.693 115.700 0.120 0.000 2.461 271 S HA -0.190 nan 4.470 nan 0.000 0.228 271 S C 0.937 175.722 174.600 0.309 0.000 1.005 271 S CA 1.326 59.629 58.200 0.172 0.000 0.942 271 S CB 0.488 63.796 63.200 0.180 0.000 0.776 271 S HN 0.385 8.759 8.310 0.107 0.000 0.514 272 A N 2.061 125.047 122.820 0.276 0.000 2.550 272 A HA -0.194 nan 4.320 nan 0.000 0.263 272 A C -0.014 177.750 177.584 0.300 0.000 1.065 272 A CA 1.036 53.216 52.037 0.238 0.000 0.786 272 A CB -0.367 18.577 19.000 -0.093 0.000 0.985 272 A HN -0.535 7.674 8.150 0.154 0.034 0.518 273 Q N 2.065 122.139 119.800 0.457 0.000 2.444 273 Q HA -0.158 nan 4.340 nan 0.000 0.206 273 Q C -1.193 175.119 176.000 0.519 0.000 0.948 273 Q CA 0.599 56.641 55.803 0.398 0.000 0.946 273 Q CB 0.424 29.336 28.738 0.290 0.000 1.027 273 Q HN -0.217 8.499 8.270 0.743 0.000 0.513 274 H N -4.083 115.133 119.070 0.244 0.000 3.114 274 H HA 0.087 nan 4.556 nan 0.000 0.325 274 H C -2.368 173.015 175.328 0.092 0.000 1.206 274 H CA 0.334 56.502 56.048 0.200 0.000 1.316 274 H CB 2.294 32.221 29.762 0.274 0.000 1.981 274 H HN -0.685 7.717 8.280 0.321 0.070 0.527 275 V N 3.806 123.667 119.914 -0.087 0.000 2.623 275 V HA 0.296 nan 4.120 nan 0.000 0.304 275 V C -2.256 173.773 176.094 -0.108 0.000 1.054 275 V CA -0.770 61.491 62.300 -0.066 0.000 0.882 275 V CB 3.406 35.203 31.823 -0.044 0.000 1.002 275 V HN 0.464 8.471 8.190 -0.304 0.000 0.424 276 E N 5.598 125.775 120.200 -0.037 0.000 2.451 276 E HA 0.187 nan 4.350 nan 0.000 0.295 276 E C -1.870 174.735 176.600 0.008 0.000 0.966 276 E CA 0.044 56.438 56.400 -0.011 0.000 0.808 276 E CB 3.792 33.503 29.700 0.017 0.000 1.242 276 E HN 0.172 8.522 8.360 -0.016 0.000 0.412 277 E N -0.201 120.006 120.200 0.012 0.000 2.416 277 E HA -0.410 nan 4.350 nan 0.000 0.249 277 E C -1.206 175.386 176.600 -0.014 0.000 1.124 277 E CA 0.495 56.892 56.400 -0.004 0.000 0.732 277 E CB -1.441 28.227 29.700 -0.053 0.000 1.286 277 E HN 0.547 8.923 8.360 0.026 0.000 0.394 278 c N -2.113 116.479 118.600 -0.012 0.000 2.611 278 c HA -0.127 nan 4.570 nan 0.000 0.416 278 c C 0.509 174.598 174.090 -0.001 0.000 1.366 278 c CA 0.621 56.940 56.329 -0.018 0.000 1.761 278 c CB -0.514 41.973 42.510 -0.038 0.000 2.619 278 c HN 0.006 8.231 8.230 -0.009 0.000 0.606 279 S N 5.493 121.213 115.700 0.034 0.000 2.488 279 S HA 0.257 nan 4.470 nan 0.000 0.310 279 S C -1.385 173.248 174.600 0.055 0.000 1.093 279 S CA 0.016 58.277 58.200 0.103 0.000 1.129 279 S CB 0.668 64.000 63.200 0.221 0.000 0.989 279 S HN -0.028 8.174 8.310 0.032 0.126 0.479 280 c N 5.986 124.584 118.600 -0.004 0.000 2.365 280 c HA 0.720 nan 4.570 nan 0.000 0.349 280 c C -1.542 172.534 174.090 -0.024 0.000 1.191 280 c CA -0.929 55.327 56.329 -0.122 0.000 2.114 280 c CB 1.469 43.897 42.510 -0.137 0.000 2.367 280 c HN 0.502 8.738 8.230 0.010 0.000 0.530 281 Y N -2.428 117.816 120.300 -0.094 0.000 2.581 281 Y HA 0.399 nan 4.550 nan 0.000 0.337 281 Y C -3.093 172.645 175.900 -0.270 0.000 1.108 281 Y CA -3.679 54.313 58.100 -0.181 0.000 1.033 281 Y CB -0.154 38.214 38.460 -0.154 0.000 1.318 281 Y HN -0.076 7.870 8.280 -0.556 0.000 0.459 282 P HA 0.044 nan 4.420 nan 0.000 0.249 282 P C -1.366 175.815 177.300 -0.197 0.000 1.737 282 P CA -0.050 62.771 63.100 -0.465 0.000 1.128 282 P CB -1.656 29.142 31.700 -1.502 0.000 1.942 283 R N 0.955 121.467 120.500 0.020 0.000 4.048 283 R HA 0.098 nan 4.340 nan 0.000 0.290 283 R C -0.241 176.114 176.300 0.092 0.000 1.519 283 R CA -2.355 53.797 56.100 0.086 0.000 1.446 283 R CB -1.862 28.552 30.300 0.190 0.000 1.455 283 R HN -0.566 7.712 8.270 0.014 0.000 0.706 284 Y N 3.941 124.234 120.300 -0.011 0.000 3.236 284 Y HA -0.333 nan 4.550 nan 0.000 0.377 284 Y C -1.111 174.809 175.900 0.034 0.000 1.142 284 Y CA 0.730 58.848 58.100 0.031 0.000 1.543 284 Y CB -0.029 38.477 38.460 0.077 0.000 1.022 284 Y HN -0.552 7.733 8.280 0.157 0.089 0.603 285 P HA 0.133 nan 4.420 nan 0.000 0.249 285 P C -1.514 175.467 177.300 -0.531 0.000 1.229 285 P CA -0.205 62.212 63.100 -1.139 0.000 0.788 285 P CB 0.624 31.853 31.700 -0.786 0.000 1.072 286 G N -2.200 106.442 108.800 -0.263 0.000 2.940 286 G HA2 0.418 nan 3.960 nan 0.000 0.164 286 G HA3 0.418 nan 3.960 nan 0.000 0.164 286 G C -2.200 172.614 174.900 -0.143 0.000 1.326 286 G CA -1.424 43.574 45.100 -0.171 0.000 1.020 286 G HN -0.608 7.511 8.290 -0.196 0.054 0.586 287 V N -0.637 119.192 119.914 -0.141 0.000 2.733 287 V HA 0.440 nan 4.120 nan 0.000 0.306 287 V C -2.259 173.698 176.094 -0.227 0.000 1.084 287 V CA -0.671 61.518 62.300 -0.184 0.000 0.905 287 V CB 3.638 35.347 31.823 -0.189 0.000 1.010 287 V HN -0.020 8.096 8.190 -0.123 0.000 0.424 288 R N 5.435 125.699 120.500 -0.394 0.000 2.494 288 R HA 0.784 nan 4.340 nan 0.000 0.305 288 R C -1.757 174.166 176.300 -0.629 0.000 0.959 288 R CA -1.905 53.917 56.100 -0.463 0.000 0.864 288 R CB 3.296 33.337 30.300 -0.431 0.000 1.159 288 R HN 0.245 8.224 8.270 -0.485 0.000 0.446 289 c N 6.749 125.156 118.600 -0.321 0.000 2.345 289 c HA 0.602 nan 4.570 nan 0.000 0.323 289 c C -0.839 173.190 174.090 -0.102 0.000 1.276 289 c CA -1.513 54.681 56.329 -0.225 0.000 1.543 289 c CB 1.718 44.140 42.510 -0.147 0.000 2.211 289 c HN 0.806 8.780 8.230 -0.205 0.132 0.493 290 I N 4.570 125.117 120.570 -0.037 0.000 2.347 290 I HA 0.465 nan 4.170 nan 0.000 0.283 290 I C -0.014 176.113 176.117 0.017 0.000 1.058 290 I CA -1.068 60.252 61.300 0.033 0.000 1.202 290 I CB -1.536 36.539 38.000 0.125 0.000 1.386 290 I HN 0.430 8.520 8.210 -0.035 0.099 0.475 291 c N 7.979 126.565 118.600 -0.023 0.000 2.576 291 c HA 0.759 nan 4.570 nan 0.000 0.394 291 c C -0.792 173.287 174.090 -0.020 0.000 1.876 291 c CA -2.024 54.289 56.329 -0.025 0.000 1.858 291 c CB 1.860 44.345 42.510 -0.041 0.000 1.943 291 c HN 0.758 8.960 8.230 -0.047 0.000 0.479 292 R N 0.399 120.897 120.500 -0.002 0.000 2.892 292 R HA 0.406 nan 4.340 nan 0.000 0.265 292 R C -2.667 173.694 176.300 0.102 0.000 1.025 292 R CA -1.078 55.039 56.100 0.029 0.000 0.982 292 R CB 3.285 33.589 30.300 0.007 0.000 1.185 292 R HN 0.570 8.840 8.270 -0.000 0.000 0.484 293 D N 0.747 121.240 120.400 0.155 0.000 2.375 293 D HA 0.157 nan 4.640 nan 0.000 0.241 293 D C -1.197 175.233 176.300 0.217 0.000 1.361 293 D CA -0.191 53.966 54.000 0.262 0.000 0.995 293 D CB 1.116 42.061 40.800 0.242 0.000 1.312 293 D HN 0.306 8.745 8.370 0.115 0.000 0.576 294 N N 6.317 125.183 118.700 0.277 0.000 2.362 294 N HA 0.117 nan 4.740 nan 0.000 0.204 294 N C -0.775 174.828 175.510 0.154 0.000 1.166 294 N CA 1.294 54.456 53.050 0.185 0.000 0.831 294 N CB 0.065 38.676 38.487 0.206 0.000 1.008 294 N HN 0.471 9.138 8.380 0.478 0.000 0.472 295 W N 0.251 121.455 121.300 -0.160 0.000 3.705 295 W HA 0.246 nan 4.660 nan 0.000 0.224 295 W C -0.448 176.018 176.519 -0.088 0.000 0.882 295 W CA 2.415 59.645 57.345 -0.193 0.000 2.321 295 W CB 1.523 30.741 29.460 -0.403 0.000 1.107 295 W HN 0.265 8.753 8.180 0.151 -0.217 0.692 296 K N -4.079 116.129 120.400 -0.319 0.000 2.464 296 K HA 0.298 nan 4.320 nan 0.000 0.206 296 K C -0.527 175.947 176.600 -0.210 0.000 1.186 296 K CA -0.092 55.917 56.287 -0.463 0.000 0.990 296 K CB 3.356 35.342 32.500 -0.857 0.000 1.003 296 K HN -0.400 7.941 8.250 -0.141 -0.175 0.562 297 G N -1.013 107.752 108.800 -0.059 0.000 2.410 297 G HA2 0.278 nan 3.960 nan 0.000 0.330 297 G HA3 0.278 nan 3.960 nan 0.000 0.330 297 G C -1.631 173.301 174.900 0.053 0.000 1.142 297 G CA -0.825 44.291 45.100 0.026 0.000 0.902 297 G HN -0.361 8.392 8.290 -0.005 -0.466 0.491 298 S N -2.921 112.801 115.700 0.037 0.000 3.009 298 S HA 0.034 nan 4.470 nan 0.000 0.254 298 S C -1.285 173.335 174.600 0.033 0.000 1.004 298 S CA -0.573 57.644 58.200 0.028 0.000 1.119 298 S CB 1.022 64.223 63.200 0.001 0.000 1.075 298 S HN 0.041 8.361 8.310 0.016 0.000 0.618 299 N N -0.659 118.090 118.700 0.081 0.000 2.491 299 N HA 0.003 nan 4.740 nan 0.000 0.274 299 N C -1.040 174.582 175.510 0.186 0.000 1.023 299 N CA -1.302 51.808 53.050 0.100 0.000 0.902 299 N CB 1.320 39.858 38.487 0.084 0.000 1.267 299 N HN -0.548 7.841 8.380 0.126 0.067 0.503 300 R N 1.402 121.951 120.500 0.082 0.000 2.500 300 R HA -0.181 nan 4.340 nan 0.000 0.281 300 R C -1.290 174.971 176.300 -0.064 0.000 0.953 300 R CA -0.786 55.328 56.100 0.025 0.000 1.108 300 R CB -0.606 29.691 30.300 -0.005 0.000 0.901 300 R HN 0.373 8.665 8.270 0.037 0.000 0.410 301 P HA 0.247 nan 4.420 nan 0.000 0.290 301 P C -1.882 175.236 177.300 -0.304 0.000 1.276 301 P CA -0.846 61.802 63.100 -0.754 0.000 0.808 301 P CB 0.737 31.951 31.700 -0.810 0.000 0.966 302 V N 2.154 121.942 119.914 -0.209 0.000 2.644 302 V HA 0.442 nan 4.120 nan 0.000 0.295 302 V C -0.241 175.824 176.094 -0.048 0.000 1.053 302 V CA -0.798 61.495 62.300 -0.012 0.000 0.987 302 V CB 1.272 33.206 31.823 0.187 0.000 1.006 302 V HN -0.370 7.527 8.190 -0.292 0.118 0.472 303 V N 7.078 126.971 119.914 -0.034 0.000 2.445 303 V HA 0.217 nan 4.120 nan 0.000 0.283 303 V C -1.567 174.498 176.094 -0.048 0.000 1.014 303 V CA -0.776 61.499 62.300 -0.043 0.000 0.852 303 V CB 2.137 33.925 31.823 -0.059 0.000 1.021 303 V HN 0.833 8.899 8.190 -0.034 0.104 0.435 304 D N 8.072 128.465 120.400 -0.012 0.000 2.280 304 D HA 0.551 nan 4.640 nan 0.000 0.236 304 D C -1.517 174.775 176.300 -0.014 0.000 1.082 304 D CA -0.794 53.196 54.000 -0.018 0.000 0.834 304 D CB 3.001 43.822 40.800 0.035 0.000 1.100 304 D HN 0.699 8.974 8.370 0.010 0.102 0.486 305 I N 4.598 125.142 120.570 -0.043 0.000 2.392 305 I HA 0.202 nan 4.170 nan 0.000 0.295 305 I C -1.495 174.614 176.117 -0.014 0.000 0.985 305 I CA -1.111 60.184 61.300 -0.009 0.000 1.221 305 I CB 2.123 40.076 38.000 -0.077 0.000 1.366 305 I HN 1.039 9.092 8.210 -0.082 0.107 0.467 306 N N 6.686 125.401 118.700 0.026 0.000 2.699 306 N HA 0.314 nan 4.740 nan 0.000 0.232 306 N C -0.013 175.475 175.510 -0.037 0.000 1.027 306 N CA -2.223 50.808 53.050 -0.032 0.000 0.920 306 N CB 0.175 38.641 38.487 -0.035 0.000 1.148 306 N HN -0.112 8.320 8.380 0.087 0.000 0.509 307 M N 2.785 122.347 119.600 -0.063 0.000 2.632 307 M HA -0.287 nan 4.480 nan 0.000 0.256 307 M C 0.764 176.924 176.300 -0.234 0.000 1.080 307 M CA 1.726 56.989 55.300 -0.062 0.000 1.084 307 M CB -1.021 31.532 32.600 -0.079 0.000 1.439 307 M HN 0.252 8.484 8.290 -0.096 0.000 0.509 308 E N -2.309 117.757 120.200 -0.223 0.000 2.076 308 E HA -0.189 nan 4.350 nan 0.000 0.190 308 E C 0.756 177.183 176.600 -0.288 0.000 0.979 308 E CA 2.024 58.291 56.400 -0.221 0.000 0.807 308 E CB 0.211 29.822 29.700 -0.148 0.000 0.761 308 E HN -0.133 8.226 8.360 -0.174 -0.104 0.454 309 D N -4.718 115.508 120.400 -0.290 0.000 2.539 309 D HA 0.046 nan 4.640 nan 0.000 0.232 309 D C -0.257 175.934 176.300 -0.183 0.000 1.256 309 D CA -0.813 53.057 54.000 -0.217 0.000 0.810 309 D CB 0.456 41.216 40.800 -0.067 0.000 1.090 309 D HN -0.401 8.087 8.370 -0.237 -0.261 0.519 310 Y N -4.651 115.497 120.300 -0.253 0.000 4.539 310 Y HA -0.499 nan 4.550 nan 0.000 0.310 310 Y C 0.123 175.883 175.900 -0.234 0.000 1.063 310 Y CA 1.845 59.626 58.100 -0.531 0.000 1.767 310 Y CB -2.091 35.749 38.460 -1.033 0.000 0.963 310 Y HN 0.172 8.144 8.280 -0.512 0.000 0.425 311 S N 0.065 115.761 115.700 -0.007 0.000 2.554 311 S HA -0.170 nan 4.470 nan 0.000 0.290 311 S C -0.945 173.684 174.600 0.050 0.000 1.309 311 S CA 1.078 59.289 58.200 0.019 0.000 1.047 311 S CB 0.581 63.785 63.200 0.008 0.000 0.828 311 S HN -0.340 8.121 8.310 -0.029 -0.168 0.509 312 I N 0.207 120.806 120.570 0.047 0.000 3.133 312 I HA 0.620 nan 4.170 nan 0.000 0.311 312 I C -0.674 175.463 176.117 0.035 0.000 1.072 312 I CA -1.821 59.510 61.300 0.053 0.000 1.015 312 I CB 2.438 40.472 38.000 0.058 0.000 1.233 312 I HN 0.043 8.274 8.210 0.035 0.000 0.473 313 D N 0.429 120.847 120.400 0.031 0.000 2.795 313 D HA 0.217 nan 4.640 nan 0.000 0.206 313 D C -2.416 173.899 176.300 0.025 0.000 1.278 313 D CA -0.003 54.015 54.000 0.030 0.000 0.839 313 D CB 2.206 43.026 40.800 0.033 0.000 1.700 313 D HN -0.152 8.235 8.370 0.029 0.000 0.549 314 S N 3.348 119.062 115.700 0.023 0.000 2.746 314 S HA 0.477 nan 4.470 nan 0.000 0.273 314 S C -0.697 173.909 174.600 0.011 0.000 1.172 314 S CA -1.604 56.597 58.200 0.002 0.000 1.116 314 S CB 1.869 65.060 63.200 -0.016 0.000 1.057 314 S HN -0.455 7.872 8.310 0.030 0.000 0.483 315 S N 4.569 120.274 115.700 0.009 0.000 2.301 315 S HA 0.467 nan 4.470 nan 0.000 0.245 315 S C -0.896 173.730 174.600 0.044 0.000 1.191 315 S CA -0.758 57.468 58.200 0.043 0.000 1.032 315 S CB 1.449 64.638 63.200 -0.018 0.000 1.104 315 S HN 0.151 8.470 8.310 0.015 0.000 0.453 316 Y N -3.318 116.945 120.300 -0.062 0.000 2.625 316 Y HA 0.137 nan 4.550 nan 0.000 0.338 316 Y C -0.991 174.848 175.900 -0.102 0.000 1.123 316 Y CA 0.126 58.197 58.100 -0.048 0.000 1.046 316 Y CB 4.696 43.128 38.460 -0.047 0.000 1.299 316 Y HN -0.623 7.705 8.280 0.080 0.000 0.464 317 V N 0.564 120.555 119.914 0.128 0.000 2.470 317 V HA 0.024 nan 4.120 nan 0.000 0.276 317 V C 0.375 176.451 176.094 -0.031 0.000 1.040 317 V CA 0.561 62.876 62.300 0.024 0.000 1.008 317 V CB -1.033 30.850 31.823 0.100 0.000 0.990 317 V HN 0.232 8.548 8.190 0.209 0.000 0.477 318 c N 6.189 124.709 118.600 -0.134 0.000 2.403 318 c HA -0.329 nan 4.570 nan 0.000 0.277 318 c C 1.103 175.160 174.090 -0.056 0.000 1.248 318 c CA 2.266 58.523 56.329 -0.121 0.000 1.762 318 c CB -0.982 41.412 42.510 -0.192 0.000 2.014 318 c HN 1.001 9.077 8.230 -0.256 0.000 0.486 319 S N 0.692 116.380 115.700 -0.020 0.000 2.673 319 S HA -0.262 nan 4.470 nan 0.000 0.308 319 S C 0.589 175.184 174.600 -0.007 0.000 1.246 319 S CA 1.219 59.419 58.200 -0.001 0.000 1.077 319 S CB 0.371 63.581 63.200 0.017 0.000 0.814 319 S HN -0.617 7.672 8.310 -0.006 0.017 0.503 320 G N 4.787 113.580 108.800 -0.011 0.000 2.880 320 G HA2 -0.022 nan 3.960 nan 0.000 0.209 320 G HA3 -0.022 nan 3.960 nan 0.000 0.209 320 G C -0.261 174.637 174.900 -0.004 0.000 1.157 320 G CA 0.248 45.338 45.100 -0.018 0.000 0.779 320 G HN 0.388 8.646 8.290 -0.010 0.025 0.539 321 L N -0.808 120.428 121.223 0.022 0.000 1.973 321 L HA -0.225 nan 4.340 nan 0.000 0.208 321 L C -0.729 176.165 176.870 0.040 0.000 1.073 321 L CA 2.418 57.291 54.840 0.056 0.000 0.746 321 L CB 0.858 43.020 42.059 0.173 0.000 0.891 321 L HN -0.690 7.498 8.230 0.027 0.058 0.433 322 V N -5.192 114.734 119.914 0.020 0.000 3.393 322 V HA -0.277 nan 4.120 nan 0.000 0.487 322 V C -1.670 174.397 176.094 -0.045 0.000 0.682 322 V CA 0.399 62.691 62.300 -0.015 0.000 2.033 322 V CB -0.120 31.697 31.823 -0.010 0.000 2.477 322 V HN -0.846 7.357 8.190 0.021 0.000 0.503 323 G N 4.891 113.633 108.800 -0.097 0.000 3.113 323 G HA2 0.199 nan 3.960 nan 0.000 0.301 323 G HA3 0.199 nan 3.960 nan 0.000 0.301 323 G C -2.718 172.109 174.900 -0.123 0.000 1.606 323 G CA -0.352 44.656 45.100 -0.154 0.000 1.060 323 G HN 0.188 8.427 8.290 -0.086 0.000 0.540 324 D N 1.402 121.759 120.400 -0.073 0.000 2.663 324 D HA 0.216 nan 4.640 nan 0.000 0.233 324 D C -2.464 173.825 176.300 -0.018 0.000 1.240 324 D CA -0.452 53.524 54.000 -0.040 0.000 0.774 324 D CB 3.814 44.606 40.800 -0.013 0.000 1.443 324 D HN -0.335 7.999 8.370 -0.060 0.000 0.441 325 T N 2.120 116.677 114.554 0.005 0.000 2.921 325 T HA 0.409 nan 4.350 nan 0.000 0.297 325 T C -2.384 172.339 174.700 0.038 0.000 1.013 325 T CA -2.345 59.766 62.100 0.018 0.000 0.990 325 T CB 1.613 70.496 68.868 0.025 0.000 1.023 325 T HN -0.105 8.144 8.240 0.014 0.000 0.447 326 P HA 0.341 nan 4.420 nan 0.000 0.272 326 P C -1.863 175.442 177.300 0.008 0.000 1.230 326 P CA -0.306 62.805 63.100 0.018 0.000 0.788 326 P CB 0.828 32.539 31.700 0.019 0.000 0.949 327 R N -0.960 119.540 120.500 -0.000 0.000 2.663 327 R HA 0.356 nan 4.340 nan 0.000 0.267 327 R C -0.588 175.705 176.300 -0.012 0.000 1.038 327 R CA -1.728 54.367 56.100 -0.008 0.000 0.886 327 R CB 2.586 32.880 30.300 -0.011 0.000 1.249 327 R HN 0.376 8.646 8.270 0.000 0.000 0.463 328 N N 1.446 120.136 118.700 -0.018 0.000 2.055 328 N HA -0.419 nan 4.740 nan 0.000 0.200 328 N C -0.987 174.513 175.510 -0.017 0.000 1.037 328 N CA 3.340 56.378 53.050 -0.020 0.000 0.881 328 N CB 0.140 38.611 38.487 -0.027 0.000 1.075 328 N HN 0.650 9.018 8.380 -0.020 0.000 0.470 329 D N -5.329 115.060 120.400 -0.017 0.000 4.807 329 D HA -0.021 nan 4.640 nan 0.000 0.221 329 D C -1.699 174.591 176.300 -0.017 0.000 1.840 329 D CA 0.558 54.548 54.000 -0.017 0.000 0.973 329 D CB 0.531 41.320 40.800 -0.019 0.000 2.498 329 D HN -0.287 8.072 8.370 -0.018 0.000 0.484 330 D N -2.909 117.478 120.400 -0.022 0.000 2.337 330 D HA 0.165 nan 4.640 nan 0.000 0.349 330 D C 1.123 177.404 176.300 -0.031 0.000 1.123 330 D CA 1.127 55.112 54.000 -0.026 0.000 0.887 330 D CB 1.649 42.428 40.800 -0.033 0.000 1.396 330 D HN 0.156 8.512 8.370 -0.024 0.000 0.510 331 R N -0.933 119.549 120.500 -0.030 0.000 2.164 331 R HA 0.230 nan 4.340 nan 0.000 0.198 331 R C 1.176 177.457 176.300 -0.031 0.000 1.028 331 R CA 1.270 57.351 56.100 -0.032 0.000 1.083 331 R CB 0.236 30.517 30.300 -0.031 0.000 1.026 331 R HN 0.026 8.279 8.270 -0.028 0.000 0.514 332 S N -2.001 113.681 115.700 -0.030 0.000 2.634 332 S HA 0.008 nan 4.470 nan 0.000 0.221 332 S C -0.390 174.189 174.600 -0.034 0.000 0.952 332 S CA 0.057 58.238 58.200 -0.032 0.000 0.930 332 S CB -0.001 63.181 63.200 -0.030 0.000 0.780 332 S HN -0.440 7.853 8.310 -0.028 0.000 0.498 333 S N 1.340 117.022 115.700 -0.031 0.000 2.528 333 S HA -0.004 nan 4.470 nan 0.000 0.277 333 S C -1.716 172.864 174.600 -0.034 0.000 1.297 333 S CA 0.112 58.294 58.200 -0.029 0.000 1.052 333 S CB 0.493 63.680 63.200 -0.021 0.000 0.917 333 S HN -0.592 7.674 8.310 -0.029 0.027 0.492 334 N N 6.604 125.279 118.700 -0.040 0.000 2.774 334 N HA 0.320 nan 4.740 nan 0.000 0.264 334 N C -2.410 173.068 175.510 -0.053 0.000 1.415 334 N CA -0.217 52.804 53.050 -0.047 0.000 0.815 334 N CB 4.054 42.508 38.487 -0.056 0.000 1.514 334 N HN 0.246 8.835 8.380 -0.041 -0.235 0.523 335 S N -1.678 113.986 115.700 -0.060 0.000 2.578 335 S HA 0.149 nan 4.470 nan 0.000 0.285 335 S C -1.844 172.711 174.600 -0.075 0.000 1.126 335 S CA -0.438 57.721 58.200 -0.067 0.000 0.878 335 S CB 1.287 64.469 63.200 -0.031 0.000 1.091 335 S HN 0.141 8.416 8.310 -0.058 0.000 0.450 336 N N 3.127 121.770 118.700 -0.096 0.000 2.197 336 N HA 0.180 nan 4.740 nan 0.000 0.228 336 N C -0.329 175.126 175.510 -0.092 0.000 1.212 336 N CA -0.553 52.441 53.050 -0.093 0.000 0.883 336 N CB -0.057 38.369 38.487 -0.101 0.000 1.107 336 N HN 0.617 8.924 8.380 -0.121 0.000 0.519 337 c N -4.120 114.433 118.600 -0.078 0.000 4.784 337 c HA -0.324 nan 4.570 nan 0.000 0.261 337 c C -0.204 173.880 174.090 -0.010 0.000 1.492 337 c CA 1.334 57.624 56.329 -0.065 0.000 1.622 337 c CB -2.580 39.845 42.510 -0.142 0.000 1.855 337 c HN 0.141 8.268 8.230 -0.065 0.064 0.662 338 R N -3.204 117.262 120.500 -0.058 0.000 2.591 338 R HA 0.233 nan 4.340 nan 0.000 0.288 338 R C -1.434 174.749 176.300 -0.195 0.000 0.947 338 R CA -0.277 55.800 56.100 -0.039 0.000 1.085 338 R CB 1.960 32.242 30.300 -0.030 0.000 1.618 338 R HN -0.227 8.155 8.270 -0.115 -0.181 0.524 339 D N 0.839 120.977 120.400 -0.437 0.000 2.732 339 D HA 0.416 nan 4.640 nan 0.000 0.229 339 D C -2.573 173.257 176.300 -0.783 0.000 1.152 339 D CA -1.964 51.719 54.000 -0.527 0.000 0.854 339 D CB 2.547 43.183 40.800 -0.274 0.000 1.590 339 D HN -0.421 7.972 8.370 -0.398 -0.263 0.468 340 P HA -0.116 nan 4.420 nan 0.000 0.264 340 P C -1.238 175.847 177.300 -0.359 0.000 1.183 340 P CA 0.507 63.297 63.100 -0.517 0.000 0.763 340 P CB 0.296 31.791 31.700 -0.342 0.000 0.807 341 N N 4.270 122.812 118.700 -0.264 0.000 2.446 341 N HA -0.270 nan 4.740 nan 0.000 0.179 341 N C 0.141 175.555 175.510 -0.160 0.000 1.054 341 N CA 0.189 53.125 53.050 -0.189 0.000 0.905 341 N CB 0.423 38.829 38.487 -0.135 0.000 0.973 341 N HN -0.169 8.274 8.380 -0.229 -0.200 0.448 342 N N -3.221 115.376 118.700 -0.171 0.000 2.783 342 N HA -0.401 nan 4.740 nan 0.000 0.247 342 N C -1.800 173.644 175.510 -0.109 0.000 1.089 342 N CA 1.541 54.494 53.050 -0.161 0.000 0.690 342 N CB -1.738 36.645 38.487 -0.173 0.000 0.991 342 N HN -0.311 7.922 8.380 -0.185 0.036 0.552 343 E N -0.960 119.188 120.200 -0.087 0.000 2.331 343 E HA 0.225 nan 4.350 nan 0.000 0.243 343 E C -0.877 175.696 176.600 -0.045 0.000 0.925 343 E CA -1.600 54.764 56.400 -0.060 0.000 0.760 343 E CB 0.834 30.501 29.700 -0.054 0.000 1.254 343 E HN -0.070 8.458 8.360 -0.089 -0.222 0.419 344 R N 2.006 122.483 120.500 -0.038 0.000 3.627 344 R HA -0.333 nan 4.340 nan 0.000 0.281 344 R C 0.112 176.401 176.300 -0.020 0.000 1.140 344 R CA 0.867 56.954 56.100 -0.021 0.000 0.761 344 R CB -1.742 28.551 30.300 -0.012 0.000 1.181 344 R HN 0.810 9.054 8.270 -0.043 0.000 0.472 345 G N -3.812 104.961 108.800 -0.045 0.000 2.708 345 G HA2 -0.236 nan 3.960 nan 0.000 0.210 345 G HA3 -0.236 nan 3.960 nan 0.000 0.210 345 G C -0.541 174.347 174.900 -0.021 0.000 1.141 345 G CA 0.218 45.288 45.100 -0.051 0.000 0.788 345 G HN 0.503 8.787 8.290 -0.064 -0.033 0.531 346 T N -1.991 112.565 114.554 0.003 0.000 6.325 346 T HA -0.327 nan 4.350 nan 0.000 0.393 346 T C 0.400 175.145 174.700 0.076 0.000 0.842 346 T CA 0.555 62.686 62.100 0.051 0.000 0.881 346 T CB -0.152 68.745 68.868 0.049 0.000 0.825 346 T HN -0.609 7.531 8.240 -0.006 0.096 0.268 347 Q N 1.270 121.117 119.800 0.079 0.000 3.429 347 Q HA -0.191 nan 4.340 nan 0.000 0.195 347 Q C -0.171 175.882 176.000 0.088 0.000 1.219 347 Q CA 0.869 56.727 55.803 0.092 0.000 1.349 347 Q CB 0.232 29.022 28.738 0.086 0.000 1.461 347 Q HN 0.075 8.387 8.270 0.070 0.000 0.734 348 G N -5.560 103.296 108.800 0.093 0.000 2.450 348 G HA2 0.062 nan 3.960 nan 0.000 0.273 348 G HA3 0.062 nan 3.960 nan 0.000 0.273 348 G C -3.382 171.568 174.900 0.083 0.000 1.221 348 G CA -0.257 44.887 45.100 0.074 0.000 0.900 348 G HN -0.317 8.036 8.290 0.105 0.000 0.483 349 V N -2.766 117.165 119.914 0.028 0.000 3.236 349 V HA 0.334 nan 4.120 nan 0.000 0.287 349 V C -2.488 173.462 176.094 -0.240 0.000 1.491 349 V CA -1.854 60.432 62.300 -0.023 0.000 1.037 349 V CB 4.043 35.919 31.823 0.089 0.000 1.160 349 V HN -0.035 8.155 8.190 -0.001 0.000 0.453 350 K N 4.513 124.478 120.400 -0.726 0.000 2.412 350 K HA 0.125 nan 4.320 nan 0.000 0.284 350 K C -1.161 175.334 176.600 -0.175 0.000 1.046 350 K CA 0.646 56.605 56.287 -0.546 0.000 0.999 350 K CB 0.238 32.214 32.500 -0.874 0.000 0.941 350 K HN 0.400 7.779 8.250 -1.451 0.000 0.474 351 G N 3.492 112.259 108.800 -0.055 0.000 2.714 351 G HA2 0.590 nan 3.960 nan 0.000 0.292 351 G HA3 0.590 nan 3.960 nan 0.000 0.292 351 G C -2.669 172.314 174.900 0.138 0.000 1.308 351 G CA -1.500 43.614 45.100 0.024 0.000 0.964 351 G HN -0.345 7.904 8.290 -0.069 0.000 0.484 352 W N -4.461 116.841 121.300 0.004 0.000 3.060 352 W HA 0.529 nan 4.660 nan 0.000 0.346 352 W C -2.739 173.808 176.519 0.046 0.000 1.194 352 W CA -2.363 55.014 57.345 0.052 0.000 1.105 352 W CB 2.508 32.012 29.460 0.072 0.000 1.487 352 W HN 0.100 8.124 8.180 -0.260 0.000 0.592 353 A N -1.491 121.543 122.820 0.358 0.000 2.549 353 A HA 0.480 nan 4.320 nan 0.000 0.291 353 A C -2.806 175.120 177.584 0.569 0.000 1.034 353 A CA 0.324 52.440 52.037 0.132 0.000 0.655 353 A CB 2.426 21.418 19.000 -0.014 0.000 1.299 353 A HN -0.146 8.442 8.150 0.730 0.000 0.427 354 F N -2.849 117.236 119.950 0.225 0.000 2.639 354 F HA 0.468 nan 4.527 nan 0.000 0.326 354 F C -2.478 173.317 175.800 -0.010 0.000 1.150 354 F CA -0.730 57.285 58.000 0.025 0.000 1.057 354 F CB 2.781 41.640 39.000 -0.235 0.000 1.300 354 F HN 0.584 8.931 8.300 0.078 0.000 0.486 355 D N 4.211 124.494 120.400 -0.195 0.000 2.349 355 D HA -0.115 nan 4.640 nan 0.000 0.239 355 D C -1.009 175.200 176.300 -0.152 0.000 1.315 355 D CA 0.014 53.804 54.000 -0.350 0.000 0.937 355 D CB 0.816 41.144 40.800 -0.788 0.000 1.133 355 D HN -0.184 8.125 8.370 -0.102 0.000 0.489 356 N N -0.266 118.379 118.700 -0.092 0.000 3.466 356 N HA -0.039 nan 4.740 nan 0.000 0.217 356 N C -0.200 175.334 175.510 0.041 0.000 1.265 356 N CA 0.435 53.508 53.050 0.038 0.000 0.887 356 N CB 2.207 40.778 38.487 0.140 0.000 1.626 356 N HN -0.356 7.951 8.380 -0.122 0.000 0.700 357 G N 6.019 114.856 108.800 0.062 0.000 2.596 357 G HA2 -0.446 nan 3.960 nan 0.000 0.295 357 G HA3 -0.446 nan 3.960 nan 0.000 0.295 357 G C -1.574 173.414 174.900 0.146 0.000 1.240 357 G CA 0.706 45.861 45.100 0.092 0.000 0.985 357 G HN 0.243 8.566 8.290 0.056 0.000 0.555 358 N N 4.128 122.904 118.700 0.127 0.000 2.383 358 N HA 0.156 nan 4.740 nan 0.000 0.192 358 N C -0.986 174.604 175.510 0.133 0.000 1.141 358 N CA 0.259 53.403 53.050 0.157 0.000 0.851 358 N CB -0.099 38.441 38.487 0.087 0.000 0.976 358 N HN 0.185 8.617 8.380 0.087 0.000 0.465 359 D N 0.152 120.597 120.400 0.074 0.000 2.529 359 D HA 0.568 nan 4.640 nan 0.000 0.273 359 D C -1.488 174.800 176.300 -0.019 0.000 1.197 359 D CA -0.384 53.606 54.000 -0.016 0.000 1.070 359 D CB 1.932 42.657 40.800 -0.123 0.000 1.134 359 D HN -0.059 8.168 8.370 0.065 0.182 0.590 360 L N -0.498 120.631 121.223 -0.157 0.000 2.620 360 L HA 0.324 nan 4.340 nan 0.000 0.261 360 L C -1.927 174.760 176.870 -0.304 0.000 0.978 360 L CA 0.184 54.925 54.840 -0.163 0.000 0.897 360 L CB 2.781 44.843 42.059 0.005 0.000 1.207 360 L HN -0.024 8.063 8.230 -0.239 0.000 0.425 361 W N 7.970 129.009 121.300 -0.436 0.000 2.356 361 W HA 0.306 nan 4.660 nan 0.000 0.311 361 W C -1.260 175.021 176.519 -0.398 0.000 1.328 361 W CA 0.293 57.411 57.345 -0.379 0.000 1.251 361 W CB 0.525 29.648 29.460 -0.561 0.000 1.280 361 W HN -0.015 7.934 8.180 -0.385 0.000 0.524 362 M N 0.036 119.440 119.600 -0.327 0.000 2.843 362 M HA 0.889 nan 4.480 nan 0.000 0.273 362 M C -2.189 173.424 176.300 -1.145 0.000 1.286 362 M CA -1.196 53.562 55.300 -0.903 0.000 0.807 362 M CB 4.431 36.599 32.600 -0.720 0.000 1.684 362 M HN 0.975 9.006 8.290 -0.249 0.110 0.458 363 G N -3.093 104.871 108.800 -1.393 0.000 2.704 363 G HA2 0.885 nan 3.960 nan 0.000 0.293 363 G HA3 0.885 nan 3.960 nan 0.000 0.293 363 G C -2.429 171.920 174.900 -0.918 0.000 1.421 363 G CA -0.043 44.447 45.100 -1.017 0.000 0.870 363 G HN -0.186 7.206 8.290 -1.497 0.000 0.492 364 R N -2.721 117.192 120.500 -0.978 0.000 2.756 364 R HA 0.530 nan 4.340 nan 0.000 0.273 364 R C -1.188 174.698 176.300 -0.691 0.000 1.030 364 R CA -1.418 54.273 56.100 -0.682 0.000 0.887 364 R CB 2.253 32.319 30.300 -0.391 0.000 1.274 364 R HN 0.271 7.870 8.270 -1.118 0.000 0.461 365 T N -4.048 110.327 114.554 -0.298 0.000 2.913 365 T HA 0.257 nan 4.350 nan 0.000 0.297 365 T C 1.060 175.706 174.700 -0.090 0.000 1.029 365 T CA -0.719 61.305 62.100 -0.128 0.000 1.104 365 T CB 0.330 69.201 68.868 0.006 0.000 0.964 365 T HN 0.390 8.514 8.240 -0.193 0.000 0.532 366 I N 2.387 122.942 120.570 -0.026 0.000 2.233 366 I HA -0.276 nan 4.170 nan 0.000 0.243 366 I C 0.311 176.431 176.117 0.005 0.000 1.093 366 I CA 2.688 63.988 61.300 -0.000 0.000 1.380 366 I CB 0.510 38.528 38.000 0.030 0.000 1.067 366 I HN 0.117 8.194 8.210 0.012 0.140 0.413 367 S N -0.478 115.233 115.700 0.018 0.000 2.531 367 S HA -0.059 nan 4.470 nan 0.000 0.279 367 S C 0.314 174.920 174.600 0.010 0.000 1.305 367 S CA 0.028 58.238 58.200 0.017 0.000 1.058 367 S CB 0.703 63.919 63.200 0.026 0.000 0.899 367 S HN -0.103 8.225 8.310 0.030 0.000 0.493 368 K N 4.618 125.021 120.400 0.005 0.000 2.387 368 K HA 0.112 nan 4.320 nan 0.000 0.198 368 K C 0.122 176.726 176.600 0.007 0.000 1.022 368 K CA 0.942 57.229 56.287 0.001 0.000 1.128 368 K CB -0.052 32.445 32.500 -0.004 0.000 0.853 368 K HN 0.545 8.798 8.250 0.005 0.000 0.523 369 D N -0.421 119.986 120.400 0.012 0.000 3.084 369 D HA 0.154 nan 4.640 nan 0.000 0.294 369 D C 0.151 176.465 176.300 0.023 0.000 1.165 369 D CA 2.201 56.210 54.000 0.014 0.000 1.008 369 D CB 3.030 43.836 40.800 0.010 0.000 1.266 369 D HN -0.690 7.613 8.370 0.013 0.075 0.449 370 L N -0.827 120.412 121.223 0.025 0.000 2.360 370 L HA 0.179 nan 4.340 nan 0.000 0.271 370 L C -0.185 176.714 176.870 0.049 0.000 1.057 370 L CA -0.947 53.914 54.840 0.035 0.000 0.803 370 L CB 1.550 43.626 42.059 0.028 0.000 1.207 370 L HN -0.349 7.894 8.230 0.021 0.000 0.445 371 R N 2.432 122.973 120.500 0.069 0.000 3.710 371 R HA -0.011 nan 4.340 nan 0.000 0.201 371 R C -1.062 175.301 176.300 0.104 0.000 1.641 371 R CA -0.016 56.142 56.100 0.097 0.000 1.390 371 R CB -1.319 29.060 30.300 0.133 0.000 1.341 371 R HN 0.387 8.698 8.270 0.067 0.000 0.728 372 S N 1.615 117.368 115.700 0.087 0.000 2.536 372 S HA 0.334 nan 4.470 nan 0.000 0.287 372 S C -1.260 173.399 174.600 0.099 0.000 1.101 372 S CA -0.846 57.409 58.200 0.092 0.000 0.950 372 S CB 3.443 66.681 63.200 0.064 0.000 1.056 372 S HN -0.242 8.065 8.310 0.069 0.044 0.481 373 G N 3.055 111.933 108.800 0.131 0.000 2.728 373 G HA2 -0.338 nan 3.960 nan 0.000 0.686 373 G HA3 -0.338 nan 3.960 nan 0.000 0.686 373 G C -2.200 172.820 174.900 0.200 0.000 1.337 373 G CA -0.185 45.002 45.100 0.145 0.000 0.861 373 G HN 0.331 8.704 8.290 0.138 0.000 0.597 374 Y N 3.765 124.124 120.300 0.099 0.000 2.421 374 Y HA 0.523 nan 4.550 nan 0.000 0.339 374 Y C -2.562 173.397 175.900 0.099 0.000 0.996 374 Y CA -1.120 57.039 58.100 0.099 0.000 1.046 374 Y CB 3.861 42.399 38.460 0.130 0.000 1.226 374 Y HN 0.369 8.688 8.280 0.271 0.123 0.445 375 E N 4.042 124.185 120.200 -0.095 0.000 2.392 375 E HA 0.819 nan 4.350 nan 0.000 0.269 375 E C -2.392 174.192 176.600 -0.027 0.000 0.924 375 E CA -2.482 53.962 56.400 0.074 0.000 0.784 375 E CB 4.733 34.497 29.700 0.107 0.000 1.292 375 E HN 0.422 8.425 8.360 -0.596 0.000 0.447 376 T N -5.452 109.207 114.554 0.175 0.000 2.956 376 T HA 0.955 nan 4.350 nan 0.000 0.312 376 T C -2.035 172.885 174.700 0.367 0.000 1.151 376 T CA -1.200 60.964 62.100 0.108 0.000 1.024 376 T CB 2.283 71.303 68.868 0.254 0.000 1.140 376 T HN -0.088 8.319 8.240 0.277 0.000 0.473 377 F N -2.841 117.217 119.950 0.179 0.000 3.052 377 F HA 0.750 nan 4.527 nan 0.000 0.323 377 F C -2.927 172.831 175.800 -0.070 0.000 1.178 377 F CA -1.412 56.668 58.000 0.133 0.000 0.892 377 F CB 2.000 40.997 39.000 -0.004 0.000 1.416 377 F HN 0.960 8.954 8.300 -0.329 0.108 0.488 378 K N -0.613 119.728 120.400 -0.099 0.000 2.376 378 K HA 0.523 nan 4.320 nan 0.000 0.257 378 K C -2.185 174.289 176.600 -0.210 0.000 0.939 378 K CA -1.874 54.040 56.287 -0.621 0.000 0.809 378 K CB 3.386 34.894 32.500 -1.652 0.000 1.121 378 K HN 0.030 8.298 8.250 0.030 0.000 0.425 379 V N 7.072 126.899 119.914 -0.146 0.000 2.370 379 V HA 0.466 nan 4.120 nan 0.000 0.283 379 V C -0.477 175.550 176.094 -0.111 0.000 1.023 379 V CA -1.465 60.803 62.300 -0.053 0.000 0.857 379 V CB 0.852 32.694 31.823 0.032 0.000 0.985 379 V HN 0.059 8.009 8.190 -0.222 0.107 0.443 380 I N 5.978 126.485 120.570 -0.104 0.000 2.556 380 I HA -0.216 nan 4.170 nan 0.000 0.284 380 I C 0.632 176.722 176.117 -0.045 0.000 1.114 380 I CA 0.804 62.053 61.300 -0.085 0.000 1.418 380 I CB -0.476 37.479 38.000 -0.074 0.000 1.394 380 I HN 0.427 8.577 8.210 -0.099 0.000 0.552 381 G N 5.266 114.052 108.800 -0.022 0.000 2.347 381 G HA2 -0.411 nan 3.960 nan 0.000 0.247 381 G HA3 -0.411 nan 3.960 nan 0.000 0.247 381 G C 1.590 176.496 174.900 0.011 0.000 1.037 381 G CA 1.227 46.325 45.100 -0.003 0.000 0.622 381 G HN -0.130 8.371 8.290 -0.021 -0.224 0.521 382 G N 0.708 109.514 108.800 0.011 0.000 2.568 382 G HA2 -0.379 nan 3.960 nan 0.000 0.220 382 G HA3 -0.379 nan 3.960 nan 0.000 0.220 382 G C -0.172 174.790 174.900 0.104 0.000 1.104 382 G CA 1.139 46.258 45.100 0.033 0.000 0.738 382 G HN 0.197 8.261 8.290 -0.011 0.220 0.574 383 W N -0.087 121.190 121.300 -0.040 0.000 2.808 383 W HA 0.095 nan 4.660 nan 0.000 0.266 383 W C -0.512 176.007 176.519 -0.000 0.000 1.247 383 W CA 0.883 58.219 57.345 -0.015 0.000 1.440 383 W CB 1.368 30.825 29.460 -0.004 0.000 1.040 383 W HN -0.368 7.886 8.180 0.206 0.049 0.606 384 S N -3.473 112.161 115.700 -0.109 0.000 2.523 384 S HA 0.099 nan 4.470 nan 0.000 0.217 384 S C 0.080 174.597 174.600 -0.139 0.000 0.996 384 S CA -0.046 58.049 58.200 -0.176 0.000 0.921 384 S CB 1.527 64.724 63.200 -0.006 0.000 0.829 384 S HN -0.669 7.667 8.310 0.044 0.000 0.495 385 T N -0.035 114.457 114.554 -0.104 0.000 2.848 385 T HA 0.513 nan 4.350 nan 0.000 0.285 385 T C -2.951 171.699 174.700 -0.083 0.000 0.995 385 T CA -2.897 59.155 62.100 -0.081 0.000 0.970 385 T CB 1.202 70.042 68.868 -0.046 0.000 0.976 385 T HN -0.355 7.835 8.240 -0.083 0.000 0.441 386 P HA -0.172 nan 4.420 nan 0.000 0.271 386 P C -0.194 177.072 177.300 -0.057 0.000 1.233 386 P CA -0.708 62.346 63.100 -0.075 0.000 0.789 386 P CB 0.795 32.451 31.700 -0.073 0.000 0.951 387 N N -0.980 117.688 118.700 -0.053 0.000 2.726 387 N HA -0.447 nan 4.740 nan 0.000 0.287 387 N C -1.235 174.252 175.510 -0.038 0.000 1.052 387 N CA 0.859 53.883 53.050 -0.044 0.000 0.805 387 N CB -0.415 38.045 38.487 -0.046 0.000 0.944 387 N HN 0.084 8.429 8.380 -0.059 0.000 0.574 388 S N 0.220 115.901 115.700 -0.031 0.000 2.616 388 S HA 0.154 nan 4.470 nan 0.000 0.277 388 S C -0.542 174.043 174.600 -0.025 0.000 1.234 388 S CA 0.071 58.255 58.200 -0.027 0.000 1.028 388 S CB 1.938 65.126 63.200 -0.021 0.000 0.988 388 S HN -0.498 7.797 8.310 -0.029 -0.003 0.522 389 K N 0.713 121.092 120.400 -0.036 0.000 2.625 389 K HA 0.123 nan 4.320 nan 0.000 0.190 389 K C -0.456 176.102 176.600 -0.070 0.000 1.174 389 K CA -0.175 56.083 56.287 -0.049 0.000 1.103 389 K CB 0.787 33.258 32.500 -0.050 0.000 0.900 389 K HN 0.232 8.459 8.250 -0.038 0.000 0.540 390 S N 3.582 119.244 115.700 -0.063 0.000 3.940 390 S HA 0.164 nan 4.470 nan 0.000 0.210 390 S C -1.262 173.277 174.600 -0.103 0.000 1.419 390 S CA -0.448 57.706 58.200 -0.078 0.000 0.912 390 S CB -1.224 61.938 63.200 -0.063 0.000 1.489 390 S HN 0.149 8.430 8.310 -0.049 0.000 0.469 391 Q N 4.347 124.055 119.800 -0.154 0.000 2.373 391 Q HA 0.423 nan 4.340 nan 0.000 0.255 391 Q C -1.380 174.498 176.000 -0.204 0.000 0.980 391 Q CA 0.133 55.786 55.803 -0.251 0.000 0.882 391 Q CB 0.966 29.399 28.738 -0.507 0.000 1.249 391 Q HN -0.273 7.848 8.270 -0.157 0.055 0.438 392 I N 3.613 124.074 120.570 -0.182 0.000 2.947 392 I HA 0.252 nan 4.170 nan 0.000 0.301 392 I C -2.012 174.077 176.117 -0.047 0.000 1.453 392 I CA -0.240 60.993 61.300 -0.111 0.000 0.984 392 I CB 2.953 40.892 38.000 -0.102 0.000 1.333 392 I HN 0.021 8.128 8.210 -0.171 0.000 0.475 393 N N -0.869 117.862 118.700 0.051 0.000 2.747 393 N HA -0.336 nan 4.740 nan 0.000 0.249 393 N C -1.655 174.033 175.510 0.297 0.000 1.107 393 N CA 0.666 53.844 53.050 0.213 0.000 0.707 393 N CB -1.251 37.412 38.487 0.293 0.000 1.054 393 N HN 0.240 8.641 8.380 0.035 0.000 0.555 394 R N -1.431 119.184 120.500 0.192 0.000 2.873 394 R HA -0.224 nan 4.340 nan 0.000 0.267 394 R C -1.159 175.295 176.300 0.257 0.000 1.009 394 R CA 1.259 57.493 56.100 0.224 0.000 1.152 394 R CB 0.587 30.930 30.300 0.073 0.000 1.047 394 R HN -0.397 7.928 8.270 0.092 0.000 0.470 395 Q N -1.178 118.775 119.800 0.255 0.000 2.320 395 Q HA 0.156 nan 4.340 nan 0.000 0.272 395 Q C -1.606 174.518 176.000 0.207 0.000 1.023 395 Q CA -0.719 55.215 55.803 0.218 0.000 0.855 395 Q CB 4.299 33.154 28.738 0.195 0.000 1.367 395 Q HN -0.232 8.208 8.270 0.283 0.000 0.406 396 V N 4.141 124.171 119.914 0.193 0.000 3.095 396 V HA 0.094 nan 4.120 nan 0.000 0.388 396 V C 0.601 176.828 176.094 0.222 0.000 1.286 396 V CA -1.534 60.873 62.300 0.179 0.000 1.406 396 V CB -1.008 30.892 31.823 0.128 0.000 1.363 396 V HN 0.664 8.974 8.190 0.199 0.000 0.532 397 I N 0.264 120.975 120.570 0.235 0.000 2.317 397 I HA -0.446 nan 4.170 nan 0.000 0.244 397 I C -0.152 176.171 176.117 0.342 0.000 0.986 397 I CA 2.622 64.040 61.300 0.197 0.000 1.286 397 I CB -0.599 37.442 38.000 0.068 0.000 0.983 397 I HN -0.831 7.404 8.210 0.214 0.103 0.422 398 V N -4.333 115.758 119.914 0.295 0.000 2.686 398 V HA 0.233 nan 4.120 nan 0.000 0.306 398 V C -1.628 174.578 176.094 0.185 0.000 1.065 398 V CA -2.632 59.822 62.300 0.257 0.000 0.894 398 V CB 2.806 34.790 31.823 0.270 0.000 1.004 398 V HN -0.226 8.111 8.190 0.294 0.030 0.424 399 D N 3.579 124.054 120.400 0.124 0.000 2.382 399 D HA 0.027 nan 4.640 nan 0.000 0.245 399 D C 0.716 177.067 176.300 0.085 0.000 1.120 399 D CA 0.062 54.113 54.000 0.086 0.000 0.890 399 D CB 1.072 41.899 40.800 0.044 0.000 1.201 399 D HN -0.235 8.202 8.370 0.111 0.000 0.433 400 S N 0.176 115.918 115.700 0.070 0.000 2.584 400 S HA -0.281 nan 4.470 nan 0.000 0.240 400 S C 0.232 174.859 174.600 0.045 0.000 0.975 400 S CA 2.757 60.992 58.200 0.058 0.000 0.949 400 S CB -0.285 62.941 63.200 0.043 0.000 0.761 400 S HN 0.261 8.609 8.310 0.064 0.000 0.536 401 D N -0.406 120.018 120.400 0.040 0.000 2.354 401 D HA 0.052 nan 4.640 nan 0.000 0.209 401 D C 0.460 176.780 176.300 0.033 0.000 1.015 401 D CA 1.255 55.272 54.000 0.028 0.000 0.867 401 D CB 0.633 41.444 40.800 0.019 0.000 0.933 401 D HN -0.386 8.097 8.370 0.043 -0.088 0.520 402 N N 0.228 118.959 118.700 0.051 0.000 2.737 402 N HA 0.345 nan 4.740 nan 0.000 0.292 402 N C -1.506 174.046 175.510 0.071 0.000 1.367 402 N CA 0.003 53.089 53.050 0.060 0.000 0.818 402 N CB 1.553 40.085 38.487 0.076 0.000 1.109 402 N HN -0.349 7.930 8.380 0.060 0.136 0.466 403 R N -2.973 117.583 120.500 0.095 0.000 2.644 403 R HA 0.273 nan 4.340 nan 0.000 0.257 403 R C -2.114 174.270 176.300 0.139 0.000 1.082 403 R CA -0.443 55.720 56.100 0.105 0.000 0.927 403 R CB 2.261 32.608 30.300 0.079 0.000 1.258 403 R HN 0.057 8.390 8.270 0.105 0.000 0.459 404 S N 0.753 116.554 115.700 0.169 0.000 4.225 404 S HA 0.539 nan 4.470 nan 0.000 0.215 404 S C -0.332 174.391 174.600 0.204 0.000 1.051 404 S CA -0.907 57.417 58.200 0.206 0.000 1.729 404 S CB 2.073 65.451 63.200 0.296 0.000 0.892 404 S HN 0.069 8.476 8.310 0.161 0.000 0.720 405 G N -1.017 107.938 108.800 0.258 0.000 2.667 405 G HA2 -0.079 nan 3.960 nan 0.000 0.081 405 G HA3 -0.079 nan 3.960 nan 0.000 0.081 405 G C -2.127 173.031 174.900 0.430 0.000 1.105 405 G CA 0.276 45.550 45.100 0.290 0.000 1.326 405 G HN -0.115 8.355 8.290 0.301 0.000 0.603 406 Y N 0.396 120.809 120.300 0.188 0.000 2.289 406 Y HA 0.238 nan 4.550 nan 0.000 0.332 406 Y C -0.765 175.180 175.900 0.074 0.000 1.324 406 Y CA -1.004 57.207 58.100 0.185 0.000 1.478 406 Y CB 1.293 39.910 38.460 0.262 0.000 1.378 406 Y HN -0.101 8.458 8.280 0.464 0.000 0.558 407 S N -2.049 113.693 115.700 0.070 0.000 2.597 407 S HA 0.216 nan 4.470 nan 0.000 0.274 407 S C -2.123 172.357 174.600 -0.200 0.000 1.132 407 S CA -0.288 57.679 58.200 -0.388 0.000 0.835 407 S CB 2.814 66.067 63.200 0.088 0.000 1.092 407 S HN -0.097 8.277 8.310 0.107 0.000 0.457 408 G N -1.803 106.757 108.800 -0.398 0.000 2.677 408 G HA2 0.342 nan 3.960 nan 0.000 0.291 408 G HA3 0.342 nan 3.960 nan 0.000 0.291 408 G C -2.823 172.101 174.900 0.039 0.000 1.435 408 G CA -0.601 44.606 45.100 0.178 0.000 0.826 408 G HN -0.452 7.298 8.290 -0.901 0.000 0.491 409 I N -0.840 119.813 120.570 0.138 0.000 3.021 409 I HA 0.772 nan 4.170 nan 0.000 0.303 409 I C -2.159 174.075 176.117 0.195 0.000 1.044 409 I CA -1.407 59.866 61.300 -0.044 0.000 1.266 409 I CB 2.476 40.563 38.000 0.145 0.000 1.447 409 I HN 0.273 8.656 8.210 0.288 0.000 0.593 410 F N 6.494 126.392 119.950 -0.086 0.000 2.991 410 F HA 0.393 nan 4.527 nan 0.000 0.355 410 F C -2.624 173.126 175.800 -0.084 0.000 1.262 410 F CA -2.052 55.947 58.000 -0.002 0.000 1.127 410 F CB 1.389 40.411 39.000 0.037 0.000 1.447 410 F HN 0.299 8.571 8.300 -0.047 0.000 0.584 411 S N 7.414 123.323 115.700 0.349 0.000 2.655 411 S HA 0.696 nan 4.470 nan 0.000 0.265 411 S C -1.675 173.105 174.600 0.300 0.000 1.240 411 S CA 0.335 58.596 58.200 0.102 0.000 0.986 411 S CB 1.291 64.459 63.200 -0.054 0.000 0.985 411 S HN 0.355 9.129 8.310 0.341 -0.259 0.562 412 V N -0.353 119.667 119.914 0.177 0.000 3.882 412 V HA 0.211 nan 4.120 nan 0.000 0.239 412 V C -2.095 174.086 176.094 0.145 0.000 1.099 412 V CA -0.671 61.765 62.300 0.228 0.000 1.116 412 V CB 1.789 33.704 31.823 0.153 0.000 0.886 412 V HN 0.243 8.472 8.190 0.066 0.000 0.489 413 E N 7.910 128.268 120.200 0.265 0.000 2.905 413 E HA -0.245 nan 4.350 nan 0.000 0.240 413 E C -0.405 176.229 176.600 0.057 0.000 0.990 413 E CA 0.611 57.121 56.400 0.184 0.000 0.954 413 E CB -0.282 29.475 29.700 0.094 0.000 0.908 413 E HN 0.105 8.690 8.360 0.375 0.000 0.532 414 G N 3.440 112.260 108.800 0.033 0.000 2.570 414 G HA2 -0.066 nan 3.960 nan 0.000 0.276 414 G HA3 -0.066 nan 3.960 nan 0.000 0.276 414 G C -1.562 173.337 174.900 -0.002 0.000 1.346 414 G CA -0.737 44.362 45.100 -0.001 0.000 1.034 414 G HN 0.233 8.467 8.290 0.045 0.083 0.512 415 K N -0.181 120.213 120.400 -0.009 0.000 2.520 415 K HA 0.085 nan 4.320 nan 0.000 0.205 415 K C -0.147 176.447 176.600 -0.009 0.000 1.035 415 K CA 0.690 56.970 56.287 -0.012 0.000 1.188 415 K CB 0.140 32.633 32.500 -0.012 0.000 0.894 415 K HN 0.348 8.591 8.250 -0.012 0.000 0.497 416 S N -4.996 110.702 115.700 -0.004 0.000 1.913 416 S HA -0.013 nan 4.470 nan 0.000 0.231 416 S C -1.160 173.445 174.600 0.007 0.000 0.854 416 S CA -0.025 58.174 58.200 -0.001 0.000 1.513 416 S CB 0.445 63.643 63.200 -0.003 0.000 1.020 416 S HN 0.027 8.230 8.310 -0.000 0.107 0.455 417 c N -1.291 117.315 118.600 0.010 0.000 2.994 417 c HA 0.649 nan 4.570 nan 0.000 0.305 417 c C -1.935 172.172 174.090 0.027 0.000 1.251 417 c CA -3.112 53.227 56.329 0.017 0.000 1.478 417 c CB 4.197 46.707 42.510 0.001 0.000 1.922 417 c HN -0.772 7.460 8.230 0.003 0.000 0.472 418 I N 0.719 121.316 120.570 0.046 0.000 2.301 418 I HA 0.301 nan 4.170 nan 0.000 0.292 418 I C -2.169 173.909 176.117 -0.064 0.000 1.046 418 I CA -1.409 59.934 61.300 0.071 0.000 1.282 418 I CB 0.541 38.648 38.000 0.178 0.000 1.409 418 I HN 0.390 8.513 8.210 0.040 0.111 0.484 419 N N 8.837 127.480 118.700 -0.095 0.000 2.498 419 N HA 0.182 nan 4.740 nan 0.000 0.287 419 N C -1.658 173.666 175.510 -0.310 0.000 1.097 419 N CA -0.863 52.061 53.050 -0.210 0.000 0.973 419 N CB 2.246 40.613 38.487 -0.200 0.000 1.153 419 N HN -0.393 7.962 8.380 -0.041 0.000 0.472 420 R N 0.590 120.810 120.500 -0.466 0.000 2.598 420 R HA 0.660 nan 4.340 nan 0.000 0.279 420 R C -1.357 174.645 176.300 -0.497 0.000 0.984 420 R CA -1.102 54.654 56.100 -0.573 0.000 0.999 420 R CB 2.156 31.845 30.300 -1.020 0.000 1.114 420 R HN 0.128 8.107 8.270 -0.485 0.000 0.493 421 c N -1.974 116.269 118.600 -0.595 0.000 3.259 421 c HA 0.878 nan 4.570 nan 0.000 0.328 421 c C -1.910 171.878 174.090 -0.505 0.000 1.425 421 c CA -1.372 54.528 56.329 -0.715 0.000 1.465 421 c CB 4.158 45.751 42.510 -1.529 0.000 1.890 421 c HN 0.813 8.634 8.230 -0.523 0.096 0.450 422 F N -3.424 116.151 119.950 -0.624 0.000 2.678 422 F HA 0.811 nan 4.527 nan 0.000 0.308 422 F C -3.470 172.202 175.800 -0.214 0.000 1.118 422 F CA -1.444 56.190 58.000 -0.610 0.000 0.959 422 F CB 2.300 40.393 39.000 -1.512 0.000 1.305 422 F HN 0.847 8.736 8.300 -0.685 0.000 0.443 423 Y N -2.480 117.760 120.300 -0.101 0.000 2.621 423 Y HA 0.883 nan 4.550 nan 0.000 0.334 423 Y C -2.147 173.761 175.900 0.013 0.000 1.074 423 Y CA -3.234 54.818 58.100 -0.080 0.000 1.149 423 Y CB 2.598 41.111 38.460 0.089 0.000 1.302 423 Y HN 0.232 8.536 8.280 0.040 0.000 0.501 424 V N 0.113 119.992 119.914 -0.058 0.000 2.555 424 V HA 0.183 nan 4.120 nan 0.000 0.283 424 V C -1.543 174.647 176.094 0.159 0.000 1.020 424 V CA -0.418 61.812 62.300 -0.117 0.000 0.883 424 V CB 1.383 33.041 31.823 -0.276 0.000 1.030 424 V HN 0.400 8.698 8.190 0.181 0.000 0.448 425 E N 6.685 127.064 120.200 0.298 0.000 2.384 425 E HA 0.098 nan 4.350 nan 0.000 0.266 425 E C -0.951 175.773 176.600 0.206 0.000 1.012 425 E CA -0.526 56.051 56.400 0.294 0.000 0.901 425 E CB 0.706 30.607 29.700 0.335 0.000 0.967 425 E HN -0.186 8.353 8.360 0.298 0.000 0.435 426 L N 2.897 124.225 121.223 0.175 0.000 2.301 426 L HA 0.327 nan 4.340 nan 0.000 0.278 426 L C -0.736 176.224 176.870 0.150 0.000 1.022 426 L CA -1.945 52.989 54.840 0.158 0.000 0.854 426 L CB 0.478 42.627 42.059 0.149 0.000 1.226 426 L HN 0.033 8.251 8.230 0.169 0.113 0.429 427 I N 5.197 125.851 120.570 0.140 0.000 2.352 427 I HA 0.088 nan 4.170 nan 0.000 0.290 427 I C -1.424 174.762 176.117 0.115 0.000 1.036 427 I CA -1.131 60.245 61.300 0.127 0.000 1.336 427 I CB 0.394 38.451 38.000 0.095 0.000 1.407 427 I HN -0.488 7.807 8.210 0.141 0.000 0.497 428 R N 7.919 128.510 120.500 0.152 0.000 2.387 428 R HA 0.461 nan 4.340 nan 0.000 0.314 428 R C -1.358 174.994 176.300 0.087 0.000 0.958 428 R CA -2.565 53.615 56.100 0.134 0.000 0.846 428 R CB 1.624 32.066 30.300 0.236 0.000 1.147 428 R HN 0.001 8.388 8.270 0.195 0.000 0.447 429 G N 1.917 110.653 108.800 -0.107 0.000 2.333 429 G HA2 0.034 nan 3.960 nan 0.000 0.288 429 G HA3 0.034 nan 3.960 nan 0.000 0.288 429 G C -2.888 171.848 174.900 -0.273 0.000 1.286 429 G CA 0.390 45.323 45.100 -0.279 0.000 0.865 429 G HN -0.510 7.827 8.290 -0.104 -0.109 0.506 430 R N 0.745 121.079 120.500 -0.276 0.000 2.774 430 R HA -0.063 nan 4.340 nan 0.000 0.269 430 R C 0.491 176.690 176.300 -0.168 0.000 1.068 430 R CA 0.475 56.427 56.100 -0.247 0.000 1.180 430 R CB 0.544 30.715 30.300 -0.215 0.000 1.077 430 R HN -0.207 7.906 8.270 -0.262 0.000 0.513 431 K N -2.682 117.612 120.400 -0.177 0.000 3.159 431 K HA -0.341 nan 4.320 nan 0.000 0.417 431 K C -0.177 176.352 176.600 -0.118 0.000 0.448 431 K CA 2.567 58.776 56.287 -0.129 0.000 1.840 431 K CB -0.984 31.461 32.500 -0.092 0.000 0.822 431 K HN 0.490 8.604 8.250 -0.227 0.000 0.428 432 Q N -0.902 118.828 119.800 -0.116 0.000 2.304 432 Q HA 0.068 nan 4.340 nan 0.000 0.199 432 Q C 0.042 175.963 176.000 -0.131 0.000 0.997 432 Q CA 0.858 56.603 55.803 -0.096 0.000 0.846 432 Q CB 2.219 30.919 28.738 -0.063 0.000 1.004 432 Q HN -0.481 7.603 8.270 -0.122 0.113 0.555 433 E N 1.064 121.178 120.200 -0.144 0.000 2.053 433 E HA -0.008 nan 4.350 nan 0.000 0.297 433 E C 0.043 176.485 176.600 -0.264 0.000 1.173 433 E CA -0.190 56.105 56.400 -0.175 0.000 1.219 433 E CB -1.347 28.257 29.700 -0.160 0.000 1.103 433 E HN -0.302 7.980 8.360 -0.129 0.000 0.476 434 T N -1.441 112.954 114.554 -0.265 0.000 3.509 434 T HA 0.022 nan 4.350 nan 0.000 0.250 434 T C 0.123 174.589 174.700 -0.391 0.000 1.076 434 T CA 0.020 61.896 62.100 -0.373 0.000 0.966 434 T CB -0.754 67.900 68.868 -0.357 0.000 1.046 434 T HN 0.393 8.471 8.240 -0.214 0.034 0.591 435 R N -0.870 119.454 120.500 -0.293 0.000 2.119 435 R HA -0.024 nan 4.340 nan 0.000 0.222 435 R C 0.554 176.727 176.300 -0.211 0.000 1.088 435 R CA 1.199 57.177 56.100 -0.204 0.000 0.984 435 R CB 0.253 30.478 30.300 -0.124 0.000 0.884 435 R HN -0.622 7.351 8.270 -0.276 0.132 0.447 436 V N -7.031 112.684 119.914 -0.332 0.000 3.177 436 V HA 0.356 nan 4.120 nan 0.000 0.319 436 V C -0.108 175.725 176.094 -0.436 0.000 1.125 436 V CA -3.038 59.060 62.300 -0.337 0.000 1.029 436 V CB 1.571 32.953 31.823 -0.736 0.000 1.119 436 V HN -0.937 6.985 8.190 -0.405 0.025 0.452 437 W N -0.799 120.294 121.300 -0.345 0.000 3.103 437 W HA 0.353 nan 4.660 nan 0.000 0.325 437 W C -0.838 175.592 176.519 -0.150 0.000 1.170 437 W CA 0.790 58.024 57.345 -0.185 0.000 1.712 437 W CB 1.207 30.654 29.460 -0.022 0.000 1.068 437 W HN 0.393 8.635 8.180 0.104 0.000 0.592 438 W N -4.209 117.226 121.300 0.225 0.000 2.415 438 W HA 0.519 nan 4.660 nan 0.000 0.355 438 W C -1.761 174.822 176.519 0.107 0.000 1.161 438 W CA -1.781 55.659 57.345 0.159 0.000 1.315 438 W CB 1.341 30.885 29.460 0.141 0.000 1.261 438 W HN -0.845 6.769 8.180 -0.943 0.000 0.636 439 T N 2.163 116.970 114.554 0.420 0.000 2.921 439 T HA 0.607 nan 4.350 nan 0.000 0.297 439 T C -1.768 173.188 174.700 0.428 0.000 1.013 439 T CA -0.250 62.037 62.100 0.311 0.000 0.990 439 T CB 2.356 71.299 68.868 0.125 0.000 1.023 439 T HN 0.079 8.597 8.240 0.463 0.000 0.447 440 S N 3.786 119.748 115.700 0.436 0.000 2.843 440 S HA 0.652 nan 4.470 nan 0.000 0.301 440 S C -2.448 172.309 174.600 0.261 0.000 1.206 440 S CA -1.609 56.784 58.200 0.321 0.000 0.875 440 S CB 1.301 64.668 63.200 0.278 0.000 1.248 440 S HN 0.694 9.271 8.310 0.446 0.000 0.555 441 N N -1.765 117.062 118.700 0.211 0.000 2.745 441 N HA 0.278 nan 4.740 nan 0.000 0.256 441 N C -2.281 173.310 175.510 0.136 0.000 1.268 441 N CA -0.266 52.889 53.050 0.176 0.000 0.887 441 N CB 3.248 41.833 38.487 0.163 0.000 1.575 441 N HN -0.288 8.214 8.380 0.203 0.000 0.496 442 S N -0.704 115.068 115.700 0.121 0.000 2.623 442 S HA 0.665 nan 4.470 nan 0.000 0.287 442 S C -0.832 173.820 174.600 0.088 0.000 1.123 442 S CA -1.880 56.366 58.200 0.076 0.000 1.016 442 S CB 2.579 65.831 63.200 0.087 0.000 1.233 442 S HN 0.207 8.600 8.310 0.139 0.000 0.512 443 I N -5.928 114.682 120.570 0.066 0.000 2.908 443 I HA 0.562 nan 4.170 nan 0.000 0.300 443 I C -2.695 173.469 176.117 0.078 0.000 1.385 443 I CA -0.649 60.711 61.300 0.100 0.000 1.004 443 I CB 3.620 41.669 38.000 0.082 0.000 1.309 443 I HN -0.440 7.907 8.210 0.042 -0.112 0.449 444 V N 1.275 121.245 119.914 0.094 0.000 2.925 444 V HA 0.816 nan 4.120 nan 0.000 0.311 444 V C -2.020 174.092 176.094 0.030 0.000 1.104 444 V CA -1.605 60.734 62.300 0.066 0.000 0.954 444 V CB 3.233 35.134 31.823 0.131 0.000 1.022 444 V HN -0.283 7.981 8.190 0.122 0.000 0.427 445 V N -2.385 117.518 119.914 -0.020 0.000 2.808 445 V HA 0.979 nan 4.120 nan 0.000 0.308 445 V C -2.450 173.515 176.094 -0.216 0.000 1.099 445 V CA -2.395 59.840 62.300 -0.107 0.000 0.920 445 V CB 3.011 34.894 31.823 0.099 0.000 1.014 445 V HN 0.660 8.813 8.190 -0.061 0.000 0.425 446 F N 3.585 122.982 119.950 -0.921 0.000 2.540 446 F HA 0.821 nan 4.527 nan 0.000 0.317 446 F C -1.046 174.329 175.800 -0.707 0.000 1.104 446 F CA -1.876 55.659 58.000 -0.774 0.000 0.913 446 F CB 4.108 42.632 39.000 -0.793 0.000 1.170 446 F HN 0.486 8.159 8.300 -1.045 0.000 0.450 447 c N 1.577 119.968 118.600 -0.349 0.000 2.547 447 c HA 0.656 nan 4.570 nan 0.000 0.411 447 c C -0.435 173.697 174.090 0.069 0.000 1.424 447 c CA -1.338 54.760 56.329 -0.384 0.000 1.848 447 c CB 3.791 45.808 42.510 -0.822 0.000 2.062 447 c HN 0.224 8.248 8.230 -0.344 0.000 0.504 448 G N -0.711 108.037 108.800 -0.088 0.000 2.395 448 G HA2 0.342 nan 3.960 nan 0.000 0.283 448 G HA3 0.342 nan 3.960 nan 0.000 0.283 448 G C -1.723 173.073 174.900 -0.174 0.000 1.178 448 G CA -0.275 44.742 45.100 -0.137 0.000 0.837 448 G HN -0.147 8.197 8.290 -0.270 -0.216 0.518 449 T N 1.955 116.392 114.554 -0.194 0.000 2.909 449 T HA 0.378 nan 4.350 nan 0.000 0.299 449 T C -1.072 173.580 174.700 -0.080 0.000 1.073 449 T CA -1.336 60.708 62.100 -0.093 0.000 0.999 449 T CB 2.529 71.403 68.868 0.010 0.000 1.098 449 T HN -0.182 7.862 8.240 -0.328 0.000 0.477 450 S N 4.927 120.601 115.700 -0.043 0.000 2.588 450 S HA 0.462 nan 4.470 nan 0.000 0.245 450 S C -0.045 174.550 174.600 -0.009 0.000 1.021 450 S CA -1.350 56.836 58.200 -0.023 0.000 1.006 450 S CB -0.052 63.135 63.200 -0.021 0.000 0.830 450 S HN 0.440 8.726 8.310 -0.040 0.000 0.468 451 G N 0.644 109.445 108.800 0.001 0.000 3.015 451 G HA2 0.215 nan 3.960 nan 0.000 0.281 451 G HA3 0.215 nan 3.960 nan 0.000 0.281 451 G C -1.635 173.245 174.900 -0.033 0.000 1.386 451 G CA -0.595 44.501 45.100 -0.007 0.000 0.959 451 G HN -0.230 7.985 8.290 0.018 0.086 0.522 452 T N -0.321 114.192 114.554 -0.069 0.000 2.698 452 T HA 0.085 nan 4.350 nan 0.000 0.295 452 T C -0.443 174.227 174.700 -0.049 0.000 1.007 452 T CA 0.606 62.595 62.100 -0.185 0.000 0.980 452 T CB 0.357 69.152 68.868 -0.122 0.000 1.036 452 T HN -0.149 8.066 8.240 -0.041 0.000 0.526 453 Y N -4.256 116.102 120.300 0.097 0.000 2.713 453 Y HA 0.456 nan 4.550 nan 0.000 0.335 453 Y C -0.628 175.362 175.900 0.151 0.000 1.222 453 Y CA -1.386 56.794 58.100 0.133 0.000 1.061 453 Y CB 0.259 38.824 38.460 0.174 0.000 1.314 453 Y HN -0.101 7.946 8.280 -0.390 0.000 0.453 454 G N -0.450 108.613 108.800 0.439 0.000 3.075 454 G HA2 0.567 nan 3.960 nan 0.000 0.156 454 G HA3 0.567 nan 3.960 nan 0.000 0.156 454 G C -1.777 173.360 174.900 0.394 0.000 1.403 454 G CA -1.100 44.199 45.100 0.331 0.000 1.033 454 G HN 0.478 9.042 8.290 0.456 0.000 0.589 455 T N -1.861 112.870 114.554 0.294 0.000 2.883 455 T HA 0.699 nan 4.350 nan 0.000 0.301 455 T C -0.745 174.045 174.700 0.150 0.000 1.158 455 T CA 0.499 62.753 62.100 0.256 0.000 1.007 455 T CB 3.064 72.042 68.868 0.183 0.000 1.186 455 T HN 0.800 9.182 8.240 0.236 0.000 0.499 456 G N 0.398 109.238 108.800 0.067 0.000 2.327 456 G HA2 -0.061 nan 3.960 nan 0.000 0.291 456 G HA3 -0.061 nan 3.960 nan 0.000 0.291 456 G C -3.157 171.559 174.900 -0.307 0.000 1.290 456 G CA 0.462 45.388 45.100 -0.290 0.000 0.857 456 G HN -0.077 8.311 8.290 0.163 0.000 0.520 457 S N -1.149 114.182 115.700 -0.615 0.000 2.566 457 S HA 0.370 nan 4.470 nan 0.000 0.273 457 S C -1.767 172.700 174.600 -0.223 0.000 1.157 457 S CA -0.577 57.541 58.200 -0.137 0.000 0.938 457 S CB 2.074 65.262 63.200 -0.020 0.000 1.087 457 S HN -0.084 7.687 8.310 -0.899 0.000 0.474 458 W N 4.234 125.629 121.300 0.159 0.000 2.413 458 W HA 0.360 nan 4.660 nan 0.000 0.308 458 W C -2.499 174.091 176.519 0.119 0.000 0.997 458 W CA -1.701 55.731 57.345 0.144 0.000 1.447 458 W CB 1.858 31.429 29.460 0.185 0.000 1.263 458 W HN 0.379 8.916 8.180 0.757 0.097 0.416 459 P HA 0.363 nan 4.420 nan 0.000 0.284 459 P C -0.791 176.605 177.300 0.159 0.000 1.287 459 P CA -1.391 61.814 63.100 0.175 0.000 0.824 459 P CB 2.534 34.302 31.700 0.113 0.000 1.180 460 D N 1.174 121.655 120.400 0.135 0.000 2.104 460 D HA -0.292 nan 4.640 nan 0.000 0.194 460 D C 0.615 176.977 176.300 0.104 0.000 0.994 460 D CA 2.095 56.168 54.000 0.122 0.000 0.830 460 D CB 0.198 41.071 40.800 0.122 0.000 0.959 460 D HN 0.498 8.948 8.370 0.132 0.000 0.452 461 G N -1.202 107.650 108.800 0.086 0.000 2.325 461 G HA2 -0.445 nan 3.960 nan 0.000 0.274 461 G HA3 -0.445 nan 3.960 nan 0.000 0.274 461 G C -2.047 172.887 174.900 0.057 0.000 0.921 461 G CA 0.636 45.772 45.100 0.059 0.000 1.340 461 G HN 0.130 8.475 8.290 0.087 -0.003 0.447 462 A N 1.536 124.387 122.820 0.052 0.000 2.422 462 A HA 0.320 nan 4.320 nan 0.000 0.302 462 A C -1.812 175.768 177.584 -0.007 0.000 1.041 462 A CA -1.417 50.657 52.037 0.061 0.000 0.708 462 A CB 2.823 21.892 19.000 0.115 0.000 1.257 462 A HN -0.275 7.904 8.150 0.047 0.000 0.414 463 N N 2.544 121.183 118.700 -0.103 0.000 2.399 463 N HA 0.013 nan 4.740 nan 0.000 0.259 463 N C 0.795 176.231 175.510 -0.123 0.000 1.160 463 N CA -0.015 52.829 53.050 -0.343 0.000 0.946 463 N CB 0.354 38.087 38.487 -1.257 0.000 1.156 463 N HN 0.185 8.541 8.380 -0.040 0.000 0.489 464 I N 6.400 126.935 120.570 -0.058 0.000 2.657 464 I HA -0.368 nan 4.170 nan 0.000 0.261 464 I C 0.152 176.296 176.117 0.045 0.000 1.212 464 I CA 1.520 62.838 61.300 0.030 0.000 1.453 464 I CB 0.243 38.230 38.000 -0.021 0.000 1.092 464 I HN 0.166 8.326 8.210 -0.084 0.000 0.452 465 N N -1.013 117.670 118.700 -0.030 0.000 2.412 465 N HA -0.139 nan 4.740 nan 0.000 0.184 465 N C 0.972 176.655 175.510 0.288 0.000 1.101 465 N CA 2.418 55.508 53.050 0.067 0.000 0.881 465 N CB 0.022 38.514 38.487 0.008 0.000 0.969 465 N HN -0.551 7.834 8.380 -0.165 -0.104 0.459 466 F N -0.088 119.913 119.950 0.085 0.000 2.315 466 F HA -0.042 nan 4.527 nan 0.000 0.284 466 F C 0.910 176.777 175.800 0.112 0.000 1.049 466 F CA -0.205 57.845 58.000 0.083 0.000 1.323 466 F CB 0.570 39.611 39.000 0.069 0.000 1.113 466 F HN -0.216 7.954 8.300 0.098 0.189 0.544 467 M N -0.053 119.761 119.600 0.357 0.000 2.189 467 M HA -0.186 nan 4.480 nan 0.000 0.319 467 M C -2.059 174.439 176.300 0.330 0.000 0.991 467 M CA -1.557 53.946 55.300 0.338 0.000 1.000 467 M CB -1.613 31.295 32.600 0.514 0.000 1.542 467 M HN -0.229 8.264 8.290 0.339 0.000 0.442 468 P HA 0.130 nan 4.420 nan 0.000 0.274 468 P C -0.924 176.653 177.300 0.461 0.000 1.256 468 P CA -0.496 62.755 63.100 0.253 0.000 0.795 468 P CB 0.634 32.390 31.700 0.094 0.000 1.038 469 I N 0.000 120.774 120.570 0.340 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.524 61.300 0.374 0.000 1.566 469 I CB 0.000 38.361 38.000 0.602 0.000 1.214 469 I HN 0.000 8.350 8.210 0.234 0.000 0.494