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 3k39_1_N DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPE NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL 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 78 P HA 0.000 nan 4.420 nan 0.000 0.216 78 P C 0.000 177.192 177.300 -0.180 0.000 1.155 78 P CA 0.000 63.040 63.100 -0.100 0.000 0.800 78 P CB 0.000 31.652 31.700 -0.080 0.000 0.726 79 E N -0.576 119.527 120.200 -0.162 0.000 2.410 79 E HA 0.407 4.758 4.350 0.001 0.000 0.269 79 E C -1.031 175.480 176.600 -0.148 0.000 0.937 79 E CA -0.424 55.845 56.400 -0.218 0.000 0.793 79 E CB 1.270 30.931 29.700 -0.066 0.000 1.314 79 E HN 0.442 nan 8.360 nan 0.000 0.447 80 W N 1.002 122.310 121.300 0.014 0.000 2.158 80 W HA 0.151 4.812 4.660 0.001 0.000 0.339 80 W C 1.011 177.479 176.519 -0.086 0.000 1.294 80 W CA -0.315 56.982 57.345 -0.080 0.000 1.231 80 W CB 0.473 29.838 29.460 -0.157 0.000 1.143 80 W HN 0.246 nan 8.180 nan 0.000 0.571 81 T N -0.246 114.368 114.554 0.101 0.000 2.943 81 T HA 0.606 4.957 4.350 0.001 0.000 0.284 81 T C -1.151 173.388 174.700 -0.268 0.000 1.015 81 T CA -0.643 61.473 62.100 0.027 0.000 1.042 81 T CB 1.213 70.115 68.868 0.057 0.000 1.055 81 T HN 0.330 nan 8.240 nan 0.000 0.500 82 Y N 0.032 120.300 120.300 -0.054 0.000 2.553 82 Y HA 0.533 5.083 4.550 0.001 0.000 0.347 82 Y C -2.287 173.474 175.900 -0.232 0.000 1.019 82 Y CA -2.486 55.504 58.100 -0.185 0.000 1.032 82 Y CB 1.858 40.240 38.460 -0.130 0.000 1.284 82 Y HN 0.560 nan 8.280 nan 0.000 0.466 83 P HA 0.303 nan 4.420 nan 0.000 0.271 83 P C -1.055 176.205 177.300 -0.066 0.000 1.216 83 P CA -0.196 62.788 63.100 -0.194 0.000 0.776 83 P CB 1.278 32.760 31.700 -0.363 0.000 0.881 84 R N 1.129 121.618 120.500 -0.017 0.000 2.943 84 R HA 0.559 4.899 4.340 0.001 0.000 0.246 84 R C -0.330 175.975 176.300 0.009 0.000 1.201 84 R CA -1.245 54.852 56.100 -0.005 0.000 1.056 84 R CB -0.021 30.282 30.300 0.006 0.000 1.243 84 R HN 0.213 nan 8.270 nan 0.000 0.498 85 L N 1.267 122.497 121.223 0.012 0.000 2.525 85 L HA 0.065 4.406 4.340 0.001 0.000 0.278 85 L C 0.049 176.939 176.870 0.034 0.000 1.218 85 L CA 0.674 55.531 54.840 0.027 0.000 0.878 85 L CB 0.293 42.366 42.059 0.023 0.000 1.127 85 L HN 0.607 nan 8.230 nan 0.000 0.492 86 S N 1.415 117.147 115.700 0.053 0.000 2.576 86 S HA 0.112 4.583 4.470 0.001 0.000 0.272 86 S C 0.230 174.851 174.600 0.035 0.000 1.352 86 S CA -0.852 57.377 58.200 0.048 0.000 1.021 86 S CB 0.320 63.569 63.200 0.082 0.000 0.887 86 S HN 0.700 nan 8.310 nan 0.000 0.542 87 c N 3.038 121.644 118.600 0.011 0.000 2.656 87 c HA 0.307 4.877 4.570 0.001 0.000 0.391 87 c C -1.767 172.334 174.090 0.019 0.000 1.300 87 c CA -1.092 55.239 56.329 0.004 0.000 2.302 87 c CB -0.945 41.553 42.510 -0.021 0.000 2.655 87 c HN 0.609 nan 8.230 nan 0.000 0.656 88 P HA 0.442 nan 4.420 nan 0.000 0.269 88 P C -0.033 177.288 177.300 0.034 0.000 1.209 88 P CA 0.968 64.088 63.100 0.034 0.000 0.776 88 P CB 0.269 31.983 31.700 0.023 0.000 0.876 89 G N -0.068 108.774 108.800 0.070 0.000 2.358 89 G HA2 0.355 4.316 3.960 0.001 0.000 0.301 89 G HA3 0.355 4.316 3.960 0.001 0.000 0.301 89 G C -0.326 174.680 174.900 0.176 0.000 1.539 89 G CA -0.107 45.044 45.100 0.085 0.000 0.893 89 G HN 0.440 nan 8.290 nan 0.000 0.636 90 S N -1.689 114.134 115.700 0.206 0.000 2.847 90 S HA 0.589 5.060 4.470 0.001 0.000 0.254 90 S C 0.373 175.237 174.600 0.441 0.000 1.039 90 S CA 0.728 59.127 58.200 0.331 0.000 1.113 90 S CB 1.030 64.356 63.200 0.209 0.000 1.092 90 S HN 1.471 nan 8.310 nan 0.000 0.620 91 T N 1.112 115.859 114.554 0.323 0.000 2.923 91 T HA 0.652 5.003 4.350 0.001 0.000 0.311 91 T C -1.685 173.155 174.700 0.233 0.000 1.183 91 T CA -0.455 61.849 62.100 0.340 0.000 1.020 91 T CB 0.705 69.726 68.868 0.255 0.000 1.165 91 T HN 0.065 nan 8.240 nan 0.000 0.482 92 F N 3.040 122.878 119.950 -0.186 0.000 2.382 92 F HA 0.592 5.120 4.527 0.001 0.000 0.331 92 F C 0.979 176.799 175.800 0.033 0.000 1.121 92 F CA -0.370 57.523 58.000 -0.180 0.000 1.183 92 F CB 0.998 39.846 39.000 -0.253 0.000 1.207 92 F HN 0.396 nan 8.300 nan 0.000 0.555 93 Q N 0.678 120.580 119.800 0.170 0.000 2.495 93 Q HA 0.235 4.576 4.340 0.001 0.000 0.287 93 Q C -0.940 175.054 176.000 -0.010 0.000 1.078 93 Q CA -1.185 54.712 55.803 0.157 0.000 0.793 93 Q CB 2.478 31.241 28.738 0.041 0.000 1.459 93 Q HN 0.532 nan 8.270 nan 0.000 0.422 94 K N 0.400 120.689 120.400 -0.186 0.000 2.412 94 K HA 0.307 4.628 4.320 0.001 0.000 0.284 94 K C 0.105 176.465 176.600 -0.399 0.000 1.046 94 K CA 0.489 56.308 56.287 -0.780 0.000 0.999 94 K CB 0.474 32.758 32.500 -0.359 0.000 0.941 94 K HN 0.687 nan 8.250 nan 0.000 0.474 95 A N 4.807 127.378 122.820 -0.415 0.000 1.970 95 A HA 0.224 4.545 4.320 0.001 0.000 0.204 95 A C -0.179 177.329 177.584 -0.126 0.000 1.325 95 A CA 0.209 52.128 52.037 -0.196 0.000 0.767 95 A CB 0.223 19.134 19.000 -0.149 0.000 0.949 95 A HN 0.610 nan 8.150 nan 0.000 0.481 96 L N -1.263 119.883 121.223 -0.128 0.000 2.591 96 L HA 0.667 5.008 4.340 0.001 0.000 0.257 96 L C -2.076 174.770 176.870 -0.040 0.000 0.935 96 L CA -0.491 54.314 54.840 -0.058 0.000 0.873 96 L CB 1.985 44.026 42.059 -0.031 0.000 1.397 96 L HN 0.224 nan 8.230 nan 0.000 0.414 97 L N 5.289 126.505 121.223 -0.012 0.000 2.333 97 L HA 0.700 5.041 4.340 0.001 0.000 0.280 97 L C -1.320 175.567 176.870 0.028 0.000 1.004 97 L CA -0.272 54.576 54.840 0.013 0.000 0.820 97 L CB 1.553 43.622 42.059 0.016 0.000 1.247 97 L HN 0.503 nan 8.230 nan 0.000 0.416 98 I N 4.333 124.927 120.570 0.040 0.000 2.361 98 I HA 0.252 4.423 4.170 0.001 0.000 0.282 98 I C 0.181 176.364 176.117 0.109 0.000 1.075 98 I CA 0.037 61.383 61.300 0.076 0.000 1.205 98 I CB 0.586 38.633 38.000 0.078 0.000 1.406 98 I HN 0.650 nan 8.210 nan 0.000 0.481 99 S N 8.174 123.919 115.700 0.076 0.000 2.457 99 S HA 0.423 4.893 4.470 0.001 0.000 0.216 99 S C -1.526 173.059 174.600 -0.025 0.000 1.392 99 S CA -1.258 56.982 58.200 0.066 0.000 1.102 99 S CB 0.601 63.819 63.200 0.030 0.000 1.114 99 S HN 0.270 nan 8.310 nan 0.000 0.484 100 P HA -0.045 nan 4.420 nan 0.000 0.223 100 P C 0.811 177.926 177.300 -0.310 0.000 1.151 100 P CA 0.837 63.873 63.100 -0.106 0.000 0.787 100 P CB 0.024 31.582 31.700 -0.235 0.000 0.788 101 H N -1.161 117.846 119.070 -0.105 0.000 2.547 101 H HA 0.180 4.737 4.556 0.001 0.000 0.266 101 H C 1.643 176.795 175.328 -0.294 0.000 0.988 101 H CA 0.422 56.322 56.048 -0.248 0.000 1.147 101 H CB 0.081 29.622 29.762 -0.368 0.000 1.365 101 H HN 0.038 nan 8.280 nan 0.000 0.589 102 R N 0.385 120.665 120.500 -0.367 0.000 2.293 102 R HA -0.062 4.279 4.340 0.001 0.000 0.219 102 R C 0.329 176.260 176.300 -0.615 0.000 1.091 102 R CA 0.557 56.325 56.100 -0.555 0.000 1.004 102 R CB -0.194 29.613 30.300 -0.822 0.000 0.865 102 R HN 0.278 nan 8.270 nan 0.000 0.469 103 F N -2.160 117.748 119.950 -0.070 0.000 2.729 103 F HA 0.326 4.854 4.527 0.001 0.000 0.315 103 F C 1.671 177.415 175.800 -0.093 0.000 1.102 103 F CA -0.467 57.488 58.000 -0.075 0.000 1.204 103 F CB 0.303 39.253 39.000 -0.083 0.000 1.052 103 F HN -0.131 nan 8.300 nan 0.000 0.551 104 G N -0.001 108.793 108.800 -0.010 0.000 3.448 104 G HA2 0.130 4.091 3.960 0.001 0.000 0.261 104 G HA3 0.130 4.091 3.960 0.001 0.000 0.261 104 G C 0.084 174.951 174.900 -0.055 0.000 1.173 104 G CA -0.239 44.821 45.100 -0.067 0.000 0.835 104 G HN 0.167 nan 8.290 nan 0.000 0.534 105 E N -0.159 120.039 120.200 -0.003 0.000 2.415 105 E HA 0.202 4.553 4.350 0.001 0.000 0.262 105 E C 1.422 178.035 176.600 0.022 0.000 1.038 105 E CA 0.118 56.529 56.400 0.018 0.000 0.921 105 E CB 0.611 30.329 29.700 0.029 0.000 0.950 105 E HN -0.018 nan 8.360 nan 0.000 0.438 106 T N 2.541 117.117 114.554 0.036 0.000 2.685 106 T HA -0.192 4.159 4.350 0.001 0.000 0.268 106 T C 1.235 175.949 174.700 0.024 0.000 1.034 106 T CA 1.275 63.395 62.100 0.033 0.000 1.149 106 T CB -0.021 68.873 68.868 0.042 0.000 0.860 106 T HN 0.302 nan 8.240 nan 0.000 0.449 107 K N 0.949 121.364 120.400 0.026 0.000 2.486 107 K HA 0.167 4.487 4.320 0.001 0.000 0.194 107 K C 1.326 177.940 176.600 0.023 0.000 1.033 107 K CA 0.058 56.358 56.287 0.022 0.000 1.004 107 K CB -0.282 32.232 32.500 0.024 0.000 0.798 107 K HN 0.408 nan 8.250 nan 0.000 0.495 108 G N 0.896 109.713 108.800 0.029 0.000 2.525 108 G HA2 0.107 4.068 3.960 0.001 0.000 0.287 108 G HA3 0.107 4.068 3.960 0.001 0.000 0.287 108 G C 0.164 175.075 174.900 0.017 0.000 1.350 108 G CA -0.453 44.667 45.100 0.033 0.000 1.039 108 G HN 0.104 nan 8.290 nan 0.000 0.513 109 N N -0.553 118.153 118.700 0.010 0.000 2.451 109 N HA 0.219 4.960 4.740 0.001 0.000 0.271 109 N C -0.428 175.070 175.510 -0.020 0.000 1.410 109 N CA -0.137 52.908 53.050 -0.008 0.000 0.884 109 N CB 1.190 39.667 38.487 -0.016 0.000 1.332 109 N HN 0.248 nan 8.380 nan 0.000 0.498 110 S N -0.084 115.610 115.700 -0.010 0.000 2.726 110 S HA 0.786 5.256 4.470 0.001 0.000 0.308 110 S C -0.038 174.550 174.600 -0.019 0.000 1.115 110 S CA -0.648 57.536 58.200 -0.026 0.000 0.965 110 S CB 2.309 65.496 63.200 -0.021 0.000 1.145 110 S HN 0.201 nan 8.310 nan 0.000 0.532 111 A N 2.328 125.129 122.820 -0.032 0.000 3.410 111 A HA 0.485 4.806 4.320 0.001 0.000 0.276 111 A C -2.916 174.640 177.584 -0.048 0.000 0.995 111 A CA -1.300 50.721 52.037 -0.025 0.000 0.934 111 A CB 0.026 19.021 19.000 -0.009 0.000 1.191 111 A HN 0.458 nan 8.150 nan 0.000 0.511 112 P HA 0.144 nan 4.420 nan 0.000 0.268 112 P C -0.123 177.107 177.300 -0.118 0.000 1.204 112 P CA 0.327 63.320 63.100 -0.177 0.000 0.768 112 P CB 0.886 32.333 31.700 -0.421 0.000 0.842 113 L N 3.961 125.131 121.223 -0.089 0.000 2.416 113 L HA 0.203 4.544 4.340 0.001 0.000 0.272 113 L C 1.132 178.061 176.870 0.097 0.000 1.161 113 L CA -0.546 54.292 54.840 -0.004 0.000 0.845 113 L CB 0.069 42.084 42.059 -0.072 0.000 1.119 113 L HN 0.284 nan 8.230 nan 0.000 0.464 114 I N 5.097 125.779 120.570 0.187 0.000 2.505 114 I HA 0.074 4.245 4.170 0.001 0.000 0.287 114 I C 0.060 176.325 176.117 0.247 0.000 1.104 114 I CA 0.293 61.751 61.300 0.263 0.000 1.387 114 I CB 0.178 38.343 38.000 0.275 0.000 1.404 114 I HN 0.445 nan 8.210 nan 0.000 0.528 115 I N 4.844 125.556 120.570 0.237 0.000 3.191 115 I HA 0.728 4.899 4.170 0.001 0.000 0.313 115 I C -0.540 175.673 176.117 0.161 0.000 1.193 115 I CA -0.785 60.617 61.300 0.170 0.000 0.968 115 I CB 2.034 40.071 38.000 0.061 0.000 1.262 115 I HN 0.396 nan 8.210 nan 0.000 0.456 116 R N 0.043 120.622 120.500 0.131 0.000 2.929 116 R HA 0.443 4.784 4.340 0.001 0.000 0.259 116 R C -1.103 175.264 176.300 0.112 0.000 1.141 116 R CA -1.031 55.124 56.100 0.092 0.000 0.991 116 R CB 1.316 31.681 30.300 0.109 0.000 1.287 116 R HN 0.775 nan 8.270 nan 0.000 0.450 117 E N 0.590 120.861 120.200 0.118 0.000 2.197 117 E HA -0.160 4.191 4.350 0.001 0.000 0.184 117 E C -2.477 174.289 176.600 0.277 0.000 1.439 117 E CA 0.464 57.010 56.400 0.244 0.000 0.688 117 E CB -1.128 28.732 29.700 0.268 0.000 1.090 117 E HN 0.209 nan 8.360 nan 0.000 0.341 118 P HA 0.490 nan 4.420 nan 0.000 0.278 118 P C -0.366 176.987 177.300 0.089 0.000 1.258 118 P CA -0.435 62.766 63.100 0.169 0.000 0.811 118 P CB 0.697 32.550 31.700 0.255 0.000 1.063 119 F N -1.326 118.451 119.950 -0.287 0.000 2.773 119 F HA 0.699 5.227 4.527 0.001 0.000 0.314 119 F C -1.878 173.717 175.800 -0.343 0.000 1.160 119 F CA -1.261 56.154 58.000 -0.976 0.000 0.920 119 F CB 0.704 39.255 39.000 -0.747 0.000 1.323 119 F HN 0.056 nan 8.300 nan 0.000 0.457 120 I N 1.716 122.147 120.570 -0.232 0.000 2.608 120 I HA 0.846 5.017 4.170 0.001 0.000 0.295 120 I C -0.765 175.433 176.117 0.136 0.000 1.049 120 I CA -1.125 60.079 61.300 -0.161 0.000 1.063 120 I CB 2.081 39.638 38.000 -0.737 0.000 1.248 120 I HN 1.016 nan 8.210 nan 0.000 0.424 121 A N 4.167 127.168 122.820 0.302 0.000 2.520 121 A HA 0.812 5.133 4.320 0.001 0.000 0.298 121 A C -1.487 176.419 177.584 0.536 0.000 1.051 121 A CA -0.434 51.896 52.037 0.488 0.000 0.690 121 A CB 1.523 20.915 19.000 0.654 0.000 1.281 121 A HN 0.736 nan 8.150 nan 0.000 0.402 122 c N 0.944 119.812 118.600 0.447 0.000 2.563 122 c HA 0.898 5.468 4.570 0.001 0.000 0.314 122 c C 1.085 175.245 174.090 0.116 0.000 1.199 122 c CA -0.109 56.426 56.329 0.344 0.000 1.564 122 c CB 1.282 43.955 42.510 0.271 0.000 2.173 122 c HN 1.230 nan 8.230 nan 0.000 0.485 123 G N 1.584 110.337 108.800 -0.080 0.000 2.671 123 G HA2 0.569 4.529 3.960 0.001 0.000 0.275 123 G HA3 0.569 4.529 3.960 0.001 0.000 0.275 123 G C -1.981 172.756 174.900 -0.271 0.000 1.368 123 G CA -0.673 44.089 45.100 -0.563 0.000 1.044 123 G HN 0.450 nan 8.290 nan 0.000 0.543 124 P HA 0.059 nan 4.420 nan 0.000 0.226 124 P C 1.034 178.292 177.300 -0.069 0.000 1.153 124 P CA 1.273 64.303 63.100 -0.117 0.000 0.777 124 P CB 0.194 31.842 31.700 -0.087 0.000 0.794 125 K N -2.627 117.726 120.400 -0.078 0.000 2.474 125 K HA 0.278 4.599 4.320 0.001 0.000 0.204 125 K C 0.665 177.278 176.600 0.021 0.000 1.220 125 K CA -0.126 56.151 56.287 -0.016 0.000 0.966 125 K CB 0.773 33.270 32.500 -0.005 0.000 1.049 125 K HN -0.097 nan 8.250 nan 0.000 0.554 126 E N 0.557 120.786 120.200 0.049 0.000 2.293 126 E HA 0.375 4.726 4.350 0.001 0.000 0.270 126 E C -1.481 175.223 176.600 0.173 0.000 0.879 126 E CA -1.005 55.462 56.400 0.111 0.000 0.756 126 E CB 2.335 32.136 29.700 0.168 0.000 1.208 126 E HN 0.179 nan 8.360 nan 0.000 0.428 127 c N 3.177 121.851 118.600 0.123 0.000 2.322 127 c HA 0.467 5.038 4.570 0.001 0.000 0.324 127 c C -0.262 173.828 174.090 -0.001 0.000 1.284 127 c CA -0.707 55.698 56.329 0.126 0.000 1.606 127 c CB 0.295 42.860 42.510 0.091 0.000 2.251 127 c HN 0.545 nan 8.230 nan 0.000 0.502 128 K N 1.725 122.084 120.400 -0.068 0.000 2.221 128 K HA 0.347 4.668 4.320 0.001 0.000 0.258 128 K C -0.524 175.778 176.600 -0.497 0.000 0.944 128 K CA -0.371 55.652 56.287 -0.440 0.000 0.823 128 K CB 1.370 33.305 32.500 -0.942 0.000 1.113 128 K HN 0.812 nan 8.250 nan 0.000 0.431 129 H N 3.875 122.560 119.070 -0.642 0.000 2.581 129 H HA 0.244 4.801 4.556 0.001 0.000 0.308 129 H C -1.112 173.803 175.328 -0.689 0.000 1.040 129 H CA -0.743 55.005 56.048 -0.500 0.000 1.231 129 H CB 0.337 29.925 29.762 -0.291 0.000 1.396 129 H HN 0.352 nan 8.280 nan 0.000 0.467 130 F N 2.972 122.555 119.950 -0.612 0.000 2.399 130 F HA 0.627 5.155 4.527 0.001 0.000 0.328 130 F C 0.294 175.672 175.800 -0.704 0.000 1.084 130 F CA -0.274 57.241 58.000 -0.809 0.000 1.053 130 F CB 1.849 39.995 39.000 -1.423 0.000 1.209 130 F HN 0.602 nan 8.300 nan 0.000 0.502 131 A N 1.696 124.369 122.820 -0.245 0.000 2.610 131 A HA 0.721 5.042 4.320 0.001 0.000 0.291 131 A C -1.854 175.713 177.584 -0.029 0.000 1.086 131 A CA -0.793 51.167 52.037 -0.127 0.000 0.677 131 A CB 1.190 20.076 19.000 -0.190 0.000 1.278 131 A HN 0.689 nan 8.150 nan 0.000 0.414 132 L N 1.917 123.164 121.223 0.041 0.000 2.259 132 L HA 0.416 4.757 4.340 0.001 0.000 0.288 132 L C 0.692 177.566 176.870 0.006 0.000 1.051 132 L CA -0.289 54.578 54.840 0.045 0.000 0.824 132 L CB 1.207 43.324 42.059 0.097 0.000 1.206 132 L HN 0.822 nan 8.230 nan 0.000 0.429 133 T N 0.747 115.285 114.554 -0.027 0.000 2.882 133 T HA 0.162 4.513 4.350 0.001 0.000 0.287 133 T C 0.867 175.609 174.700 0.070 0.000 1.014 133 T CA -0.260 61.846 62.100 0.010 0.000 1.049 133 T CB 0.532 69.336 68.868 -0.107 0.000 1.001 133 T HN 0.516 nan 8.240 nan 0.000 0.525 134 H N 2.851 122.035 119.070 0.191 0.000 2.519 134 H HA 0.080 4.637 4.556 0.001 0.000 0.289 134 H C -0.286 175.239 175.328 0.329 0.000 1.040 134 H CA -0.004 56.197 56.048 0.253 0.000 1.165 134 H CB -0.130 29.770 29.762 0.230 0.000 1.462 134 H HN 0.805 nan 8.280 nan 0.000 0.555 135 Y N 0.074 120.522 120.300 0.247 0.000 3.689 135 Y HA -0.255 4.296 4.550 0.001 0.000 0.221 135 Y C -0.266 175.735 175.900 0.168 0.000 1.247 135 Y CA 0.289 58.521 58.100 0.220 0.000 1.671 135 Y CB -1.440 37.113 38.460 0.155 0.000 1.521 135 Y HN 0.416 nan 8.280 nan 0.000 0.632 136 A N -0.316 122.708 122.820 0.339 0.000 2.587 136 A HA 1.010 5.331 4.320 0.001 0.000 0.293 136 A C -0.872 176.870 177.584 0.264 0.000 1.087 136 A CA -0.192 52.039 52.037 0.324 0.000 0.692 136 A CB 1.314 20.543 19.000 0.382 0.000 1.291 136 A HN 1.204 nan 8.150 nan 0.000 0.407 137 A N 0.189 123.156 122.820 0.245 0.000 2.430 137 A HA 0.821 5.142 4.320 0.001 0.000 0.300 137 A C -0.762 176.926 177.584 0.173 0.000 1.124 137 A CA -0.553 51.583 52.037 0.164 0.000 0.766 137 A CB 1.574 20.638 19.000 0.107 0.000 1.328 137 A HN 0.846 nan 8.150 nan 0.000 0.424 138 Q N 1.098 120.933 119.800 0.057 0.000 2.333 138 Q HA 0.483 4.824 4.340 0.001 0.000 0.268 138 Q C -2.699 173.269 176.000 -0.053 0.000 1.007 138 Q CA -2.081 53.697 55.803 -0.041 0.000 0.810 138 Q CB 2.249 30.712 28.738 -0.457 0.000 1.264 138 Q HN 0.526 nan 8.270 nan 0.000 0.452 139 P HA 0.463 nan 4.420 nan 0.000 0.276 139 P C -0.530 176.792 177.300 0.036 0.000 1.244 139 P CA 0.071 63.214 63.100 0.072 0.000 0.801 139 P CB 1.467 33.191 31.700 0.041 0.000 1.006 140 G N -0.783 107.971 108.800 -0.077 0.000 2.490 140 G HA2 0.489 4.450 3.960 0.001 0.000 0.308 140 G HA3 0.489 4.450 3.960 0.001 0.000 0.308 140 G C -0.584 173.955 174.900 -0.602 0.000 1.286 140 G CA -0.156 44.814 45.100 -0.217 0.000 0.825 140 G HN 0.515 nan 8.290 nan 0.000 0.479 141 G N -1.412 107.035 108.800 -0.588 0.000 3.969 141 G HA2 0.405 4.366 3.960 0.001 0.000 0.291 141 G HA3 0.405 4.366 3.960 0.001 0.000 0.291 141 G C -0.358 174.099 174.900 -0.738 0.000 1.016 141 G CA 0.108 44.782 45.100 -0.711 0.000 0.819 141 G HN 0.326 nan 8.290 nan 0.000 0.493 142 Y N 0.180 120.370 120.300 -0.185 0.000 2.734 142 Y HA 0.327 4.878 4.550 0.001 0.000 0.278 142 Y C 1.308 177.307 175.900 0.165 0.000 1.108 142 Y CA -1.496 56.611 58.100 0.012 0.000 1.211 142 Y CB -0.005 38.498 38.460 0.071 0.000 1.182 142 Y HN 0.153 nan 8.280 nan 0.000 0.547 143 Y N -0.545 119.849 120.300 0.157 0.000 2.181 143 Y HA -0.202 4.349 4.550 0.001 0.000 0.288 143 Y C 1.339 177.296 175.900 0.095 0.000 1.146 143 Y CA 0.204 58.392 58.100 0.148 0.000 1.164 143 Y CB -0.849 37.706 38.460 0.158 0.000 0.982 143 Y HN 0.153 nan 8.280 nan 0.000 0.515 144 N N 0.545 119.387 118.700 0.237 0.000 2.374 144 N HA 0.150 4.891 4.740 0.001 0.000 0.269 144 N C 1.022 176.597 175.510 0.109 0.000 1.310 144 N CA 1.480 54.613 53.050 0.138 0.000 0.877 144 N CB 0.094 38.643 38.487 0.104 0.000 1.096 144 N HN 0.568 nan 8.380 nan 0.000 0.484 145 G N 1.678 110.505 108.800 0.045 0.000 2.179 145 G HA2 -0.288 3.673 3.960 0.001 0.000 0.220 145 G HA3 -0.288 3.673 3.960 0.001 0.000 0.220 145 G C 0.880 175.692 174.900 -0.146 0.000 0.990 145 G CA 0.526 45.630 45.100 0.007 0.000 0.646 145 G HN 0.712 nan 8.290 nan 0.000 0.517 146 T N -1.546 112.884 114.554 -0.207 0.000 3.085 146 T HA 0.205 4.556 4.350 0.001 0.000 0.263 146 T C 1.979 176.451 174.700 -0.379 0.000 1.127 146 T CA 1.113 62.883 62.100 -0.551 0.000 1.103 146 T CB -0.059 68.712 68.868 -0.161 0.000 0.921 146 T HN 0.409 nan 8.240 nan 0.000 0.510 147 R N 1.154 121.497 120.500 -0.262 0.000 2.193 147 R HA 0.182 4.523 4.340 0.001 0.000 0.213 147 R C 1.606 177.819 176.300 -0.145 0.000 1.055 147 R CA 0.362 56.236 56.100 -0.377 0.000 0.995 147 R CB -0.420 29.631 30.300 -0.416 0.000 0.893 147 R HN 0.505 nan 8.270 nan 0.000 0.459 148 G N 0.572 109.343 108.800 -0.049 0.000 2.614 148 G HA2 -0.092 3.869 3.960 0.001 0.000 0.239 148 G HA3 -0.092 3.869 3.960 0.001 0.000 0.239 148 G C -0.075 174.929 174.900 0.174 0.000 1.240 148 G CA -0.355 44.778 45.100 0.055 0.000 0.842 148 G HN 0.041 nan 8.290 nan 0.000 0.584 149 D N -0.109 120.336 120.400 0.076 0.000 2.262 149 D HA 0.064 4.705 4.640 0.001 0.000 0.212 149 D C 1.034 177.322 176.300 -0.020 0.000 0.964 149 D CA 0.845 54.875 54.000 0.050 0.000 0.875 149 D CB 0.373 41.158 40.800 -0.024 0.000 0.996 149 D HN 0.359 nan 8.370 nan 0.000 0.497 150 R N 0.367 120.779 120.500 -0.146 0.000 2.621 150 R HA 0.488 4.828 4.340 0.001 0.000 0.284 150 R C -0.822 175.435 176.300 -0.072 0.000 0.998 150 R CA -0.727 55.170 56.100 -0.338 0.000 0.895 150 R CB 1.862 31.459 30.300 -1.171 0.000 1.195 150 R HN 0.034 nan 8.270 nan 0.000 0.450 151 N N -0.532 118.247 118.700 0.132 0.000 3.277 151 N HA 0.184 4.925 4.740 0.001 0.000 0.278 151 N C -0.638 175.034 175.510 0.270 0.000 1.544 151 N CA -1.086 52.069 53.050 0.176 0.000 0.869 151 N CB 0.849 39.444 38.487 0.180 0.000 1.584 151 N HN 0.281 nan 8.380 nan 0.000 0.564 152 K N -0.469 120.046 120.400 0.192 0.000 2.487 152 K HA 0.311 4.631 4.320 0.001 0.000 0.192 152 K C 0.498 177.197 176.600 0.165 0.000 1.027 152 K CA 0.530 56.915 56.287 0.164 0.000 1.054 152 K CB -0.271 32.291 32.500 0.104 0.000 0.824 152 K HN 0.409 nan 8.250 nan 0.000 0.510 153 L N -0.430 120.918 121.223 0.207 0.000 2.609 153 L HA 0.170 4.511 4.340 0.001 0.000 0.230 153 L C 0.714 177.896 176.870 0.521 0.000 1.087 153 L CA -0.393 54.610 54.840 0.271 0.000 0.874 153 L CB 0.238 42.393 42.059 0.160 0.000 1.114 153 L HN -0.042 nan 8.230 nan 0.000 0.488 154 R N 0.436 121.143 120.500 0.345 0.000 2.538 154 R HA 0.079 4.420 4.340 0.001 0.000 0.282 154 R C -0.984 175.478 176.300 0.270 0.000 1.009 154 R CA 0.608 56.863 56.100 0.259 0.000 1.063 154 R CB 0.051 30.452 30.300 0.168 0.000 0.945 154 R HN 0.065 nan 8.270 nan 0.000 0.414 155 H N 1.863 121.014 119.070 0.134 0.000 2.851 155 H HA 0.304 4.861 4.556 0.001 0.000 0.372 155 H C -1.284 174.047 175.328 0.006 0.000 1.158 155 H CA -0.822 55.294 56.048 0.113 0.000 1.159 155 H CB 1.400 31.291 29.762 0.215 0.000 1.757 155 H HN 0.369 nan 8.280 nan 0.000 0.546 156 L N 4.075 125.372 121.223 0.124 0.000 2.361 156 L HA 0.372 4.713 4.340 0.001 0.000 0.278 156 L C -0.801 176.124 176.870 0.092 0.000 1.113 156 L CA -0.088 54.817 54.840 0.108 0.000 0.849 156 L CB -0.611 41.528 42.059 0.133 0.000 1.155 156 L HN 0.592 nan 8.230 nan 0.000 0.452 157 I N 2.170 122.720 120.570 -0.033 0.000 3.108 157 I HA 0.973 5.144 4.170 0.001 0.000 0.312 157 I C -0.379 175.684 176.117 -0.090 0.000 1.095 157 I CA -0.394 60.795 61.300 -0.185 0.000 1.000 157 I CB 2.170 39.790 38.000 -0.632 0.000 1.229 157 I HN 0.630 nan 8.210 nan 0.000 0.454 158 S N 1.625 117.202 115.700 -0.206 0.000 2.570 158 S HA 0.920 5.391 4.470 0.001 0.000 0.270 158 S C -0.844 173.534 174.600 -0.370 0.000 1.149 158 S CA -0.192 57.750 58.200 -0.430 0.000 0.837 158 S CB 1.380 64.147 63.200 -0.721 0.000 1.124 158 S HN 1.861 nan 8.310 nan 0.000 0.465 159 V N -1.239 118.438 119.914 -0.394 0.000 3.130 159 V HA 0.698 4.819 4.120 0.001 0.000 0.310 159 V C -0.345 175.596 176.094 -0.254 0.000 1.158 159 V CA -1.317 60.825 62.300 -0.264 0.000 1.029 159 V CB 1.521 33.237 31.823 -0.178 0.000 1.057 159 V HN 1.239 nan 8.190 nan 0.000 0.436 160 K N 1.616 121.911 120.400 -0.175 0.000 2.451 160 K HA 0.251 4.572 4.320 0.001 0.000 0.280 160 K C -0.338 176.208 176.600 -0.090 0.000 1.020 160 K CA -0.481 55.728 56.287 -0.130 0.000 1.008 160 K CB 0.670 33.121 32.500 -0.081 0.000 0.917 160 K HN 0.765 nan 8.250 nan 0.000 0.478 161 L N 5.051 126.224 121.223 -0.083 0.000 2.584 161 L HA 0.115 4.455 4.340 0.001 0.000 0.272 161 L C 0.983 177.828 176.870 -0.041 0.000 1.195 161 L CA 2.079 56.880 54.840 -0.066 0.000 0.920 161 L CB 0.305 42.313 42.059 -0.084 0.000 1.173 161 L HN 0.995 nan 8.230 nan 0.000 0.489 162 G N 2.922 111.703 108.800 -0.031 0.000 2.284 162 G HA2 -0.165 3.796 3.960 0.001 0.000 0.201 162 G HA3 -0.165 3.796 3.960 0.001 0.000 0.201 162 G C 0.153 175.049 174.900 -0.007 0.000 0.998 162 G CA -0.309 44.781 45.100 -0.016 0.000 0.651 162 G HN 0.518 nan 8.290 nan 0.000 0.489 163 K N 1.227 121.619 120.400 -0.013 0.000 2.130 163 K HA 0.570 4.891 4.320 0.001 0.000 0.268 163 K C 0.522 177.121 176.600 -0.001 0.000 0.983 163 K CA -0.819 55.454 56.287 -0.024 0.000 0.893 163 K CB 1.598 34.066 32.500 -0.052 0.000 1.066 163 K HN 0.179 nan 8.250 nan 0.000 0.450 164 I N 4.442 125.006 120.570 -0.010 0.000 2.533 164 I HA 0.056 4.227 4.170 0.001 0.000 0.284 164 I C -1.885 174.203 176.117 -0.048 0.000 1.109 164 I CA -2.411 58.892 61.300 0.005 0.000 1.412 164 I CB 0.049 38.053 38.000 0.008 0.000 1.396 164 I HN 0.146 nan 8.210 nan 0.000 0.543 165 P HA 0.133 nan 4.420 nan 0.000 0.260 165 P C -0.104 177.122 177.300 -0.122 0.000 1.651 165 P CA -0.137 62.885 63.100 -0.130 0.000 1.139 165 P CB -0.189 31.393 31.700 -0.197 0.000 1.756 166 T N -1.601 112.893 114.554 -0.100 0.000 2.923 166 T HA 0.272 4.623 4.350 0.001 0.000 0.281 166 T C 1.460 176.130 174.700 -0.051 0.000 0.995 166 T CA -0.723 61.330 62.100 -0.078 0.000 0.985 166 T CB 0.404 69.227 68.868 -0.075 0.000 1.114 166 T HN -0.077 nan 8.240 nan 0.000 0.548 167 V N 1.136 121.042 119.914 -0.014 0.000 2.252 167 V HA -0.193 3.928 4.120 0.001 0.000 0.249 167 V C 2.727 178.840 176.094 0.031 0.000 1.056 167 V CA 2.251 64.574 62.300 0.039 0.000 1.022 167 V CB -0.985 30.857 31.823 0.032 0.000 0.641 167 V HN 0.929 nan 8.190 nan 0.000 0.445 168 E N -0.353 119.839 120.200 -0.012 0.000 2.112 168 E HA -0.124 4.227 4.350 0.001 0.000 0.190 168 E C 2.086 178.664 176.600 -0.037 0.000 0.979 168 E CA 0.832 57.217 56.400 -0.025 0.000 0.814 168 E CB -0.192 29.485 29.700 -0.038 0.000 0.762 168 E HN 0.518 nan 8.360 nan 0.000 0.460 169 N N 0.749 119.416 118.700 -0.055 0.000 2.188 169 N HA -0.039 4.701 4.740 0.001 0.000 0.184 169 N C 0.491 175.947 175.510 -0.091 0.000 1.018 169 N CA 0.500 53.506 53.050 -0.074 0.000 0.858 169 N CB -0.025 38.411 38.487 -0.085 0.000 0.989 169 N HN -0.062 nan 8.380 nan 0.000 0.426 170 S N 0.298 115.940 115.700 -0.097 0.000 2.608 170 S HA 0.281 4.752 4.470 0.001 0.000 0.261 170 S C 0.334 174.871 174.600 -0.105 0.000 1.314 170 S CA -0.415 57.690 58.200 -0.159 0.000 0.992 170 S CB 1.324 64.369 63.200 -0.259 0.000 0.935 170 S HN 0.208 nan 8.310 nan 0.000 0.564 171 I N 0.788 121.234 120.570 -0.205 0.000 2.498 171 I HA 0.467 4.638 4.170 0.001 0.000 0.290 171 I C -1.655 174.271 176.117 -0.318 0.000 1.032 171 I CA -0.951 60.232 61.300 -0.194 0.000 1.073 171 I CB 0.922 38.729 38.000 -0.321 0.000 1.251 171 I HN 0.501 nan 8.210 nan 0.000 0.426 172 F N 6.749 126.483 119.950 -0.360 0.000 2.404 172 F HA 0.350 4.878 4.527 0.001 0.000 0.358 172 F C 1.337 176.973 175.800 -0.273 0.000 1.120 172 F CA -0.368 57.484 58.000 -0.247 0.000 1.144 172 F CB 0.687 39.566 39.000 -0.200 0.000 1.133 172 F HN 0.554 nan 8.300 nan 0.000 0.495 173 H N 3.765 122.863 119.070 0.047 0.000 2.306 173 H HA 0.168 4.725 4.556 0.001 0.000 0.307 173 H C 0.487 175.874 175.328 0.100 0.000 1.061 173 H CA 1.262 57.262 56.048 -0.080 0.000 1.359 173 H CB 0.434 30.032 29.762 -0.273 0.000 1.407 173 H HN 0.548 nan 8.280 nan 0.000 0.517 174 M N -1.350 118.434 119.600 0.307 0.000 2.732 174 M HA 0.606 5.087 4.480 0.001 0.000 0.272 174 M C -1.511 174.772 176.300 -0.029 0.000 1.203 174 M CA -1.025 54.427 55.300 0.254 0.000 0.841 174 M CB 2.398 35.163 32.600 0.274 0.000 1.685 174 M HN -0.067 nan 8.290 nan 0.000 0.492 175 A N 1.556 124.157 122.820 -0.365 0.000 2.511 175 A HA 0.722 5.043 4.320 0.001 0.000 0.242 175 A C 0.038 177.397 177.584 -0.374 0.000 1.069 175 A CA 0.470 52.030 52.037 -0.796 0.000 0.763 175 A CB -0.502 18.193 19.000 -0.508 0.000 1.001 175 A HN 1.859 nan 8.150 nan 0.000 0.498 176 A N 2.481 125.111 122.820 -0.317 0.000 2.573 176 A HA 0.539 4.860 4.320 0.001 0.000 0.299 176 A C -0.332 177.189 177.584 -0.105 0.000 1.060 176 A CA -0.228 51.647 52.037 -0.270 0.000 0.736 176 A CB 0.296 19.212 19.000 -0.140 0.000 1.280 176 A HN 1.583 nan 8.150 nan 0.000 0.401 177 W N 1.437 122.735 121.300 -0.005 0.000 2.818 177 W HA 0.591 5.252 4.660 0.001 0.000 0.403 177 W C -0.074 176.464 176.519 0.031 0.000 0.991 177 W CA 0.147 57.495 57.345 0.004 0.000 1.925 177 W CB 0.256 29.720 29.460 0.006 0.000 1.166 177 W HN 0.910 nan 8.180 nan 0.000 0.605 178 S N 0.398 116.226 115.700 0.215 0.000 2.548 178 S HA 0.686 5.157 4.470 0.001 0.000 0.278 178 S C -0.682 173.947 174.600 0.048 0.000 1.150 178 S CA 0.003 58.325 58.200 0.203 0.000 0.907 178 S CB 1.267 64.638 63.200 0.284 0.000 1.108 178 S HN 0.358 nan 8.310 nan 0.000 0.459 179 G N 1.149 109.987 108.800 0.064 0.000 2.684 179 G HA2 0.786 4.747 3.960 0.001 0.000 0.290 179 G HA3 0.786 4.747 3.960 0.001 0.000 0.290 179 G C -1.249 173.595 174.900 -0.093 0.000 1.425 179 G CA -0.276 44.844 45.100 0.034 0.000 0.822 179 G HN 0.999 nan 8.290 nan 0.000 0.482 180 S N -1.813 113.821 115.700 -0.110 0.000 2.611 180 S HA 0.921 5.392 4.470 0.001 0.000 0.268 180 S C -1.138 173.372 174.600 -0.149 0.000 1.156 180 S CA 0.392 58.403 58.200 -0.315 0.000 0.817 180 S CB 1.492 64.518 63.200 -0.290 0.000 1.122 180 S HN 2.342 nan 8.310 nan 0.000 0.466 181 A N 0.437 123.147 122.820 -0.183 0.000 2.608 181 A HA 0.842 5.163 4.320 0.001 0.000 0.292 181 A C -0.973 176.623 177.584 0.019 0.000 1.066 181 A CA -0.180 51.739 52.037 -0.197 0.000 0.676 181 A CB 0.508 19.057 19.000 -0.752 0.000 1.277 181 A HN 2.208 nan 8.150 nan 0.000 0.413 182 c N -0.695 117.977 118.600 0.120 0.000 3.302 182 c HA 0.790 5.361 4.570 0.001 0.000 0.347 182 c C -0.860 173.249 174.090 0.032 0.000 1.218 182 c CA -0.762 55.669 56.329 0.170 0.000 1.234 182 c CB 0.381 42.942 42.510 0.085 0.000 1.551 182 c HN 1.322 nan 8.230 nan 0.000 0.501 183 H N 0.770 119.652 119.070 -0.314 0.000 2.459 183 H HA 0.547 5.104 4.556 0.001 0.000 0.332 183 H C 0.595 175.778 175.328 -0.241 0.000 1.094 183 H CA 0.301 55.985 56.048 -0.607 0.000 1.224 183 H CB 1.462 30.551 29.762 -1.121 0.000 1.449 183 H HN 0.837 nan 8.280 nan 0.000 0.484 184 D N 2.186 122.424 120.400 -0.270 0.000 2.349 184 D HA 0.155 4.796 4.640 0.001 0.000 0.214 184 D C 1.504 177.898 176.300 0.158 0.000 1.063 184 D CA 0.617 54.618 54.000 0.003 0.000 0.847 184 D CB 0.574 41.430 40.800 0.093 0.000 0.933 184 D HN 0.802 nan 8.370 nan 0.000 0.513 185 G N 0.343 109.215 108.800 0.120 0.000 2.307 185 G HA2 -0.277 3.684 3.960 0.001 0.000 0.210 185 G HA3 -0.277 3.684 3.960 0.001 0.000 0.210 185 G C 1.159 176.093 174.900 0.056 0.000 1.005 185 G CA 0.172 45.381 45.100 0.181 0.000 0.634 185 G HN 0.373 nan 8.290 nan 0.000 0.496 186 K N -0.267 120.052 120.400 -0.134 0.000 2.387 186 K HA 0.437 4.758 4.320 0.001 0.000 0.197 186 K C 0.419 176.829 176.600 -0.317 0.000 1.127 186 K CA 0.799 56.974 56.287 -0.186 0.000 0.950 186 K CB 1.011 33.369 32.500 -0.237 0.000 1.017 186 K HN 0.263 nan 8.250 nan 0.000 0.519 187 E N -0.581 119.222 120.200 -0.663 0.000 2.388 187 E HA 0.167 4.518 4.350 0.001 0.000 0.280 187 E C -1.981 174.106 176.600 -0.856 0.000 1.019 187 E CA -0.629 55.349 56.400 -0.703 0.000 0.806 187 E CB 0.553 29.815 29.700 -0.730 0.000 1.246 187 E HN 0.008 nan 8.360 nan 0.000 0.443 188 W N 1.960 122.982 121.300 -0.464 0.000 2.253 188 W HA 0.399 5.060 4.660 0.001 0.000 0.322 188 W C 0.122 176.369 176.519 -0.455 0.000 1.342 188 W CA 0.002 57.102 57.345 -0.408 0.000 1.218 188 W CB 1.359 30.576 29.460 -0.406 0.000 1.205 188 W HN 0.199 nan 8.180 nan 0.000 0.551 189 T N 3.861 118.357 114.554 -0.097 0.000 2.771 189 T HA 0.380 4.731 4.350 0.001 0.000 0.281 189 T C -1.177 173.387 174.700 -0.226 0.000 0.982 189 T CA -0.458 61.645 62.100 0.004 0.000 0.978 189 T CB 0.362 69.286 68.868 0.093 0.000 0.930 189 T HN 0.066 nan 8.240 nan 0.000 0.447 190 Y N 2.109 122.462 120.300 0.087 0.000 2.393 190 Y HA 0.686 5.237 4.550 0.001 0.000 0.341 190 Y C -0.032 175.855 175.900 -0.021 0.000 0.988 190 Y CA -1.177 56.907 58.100 -0.026 0.000 1.078 190 Y CB 1.224 39.643 38.460 -0.068 0.000 1.203 190 Y HN 0.466 nan 8.280 nan 0.000 0.453 191 I N 2.000 122.620 120.570 0.084 0.000 2.498 191 I HA 0.759 4.929 4.170 0.001 0.000 0.290 191 I C -0.136 175.986 176.117 0.008 0.000 1.032 191 I CA -0.418 60.898 61.300 0.027 0.000 1.073 191 I CB 2.364 40.343 38.000 -0.036 0.000 1.251 191 I HN 0.776 nan 8.210 nan 0.000 0.426 192 G N 5.013 113.803 108.800 -0.017 0.000 2.739 192 G HA2 0.602 4.563 3.960 0.001 0.000 0.292 192 G HA3 0.602 4.563 3.960 0.001 0.000 0.292 192 G C -1.666 173.125 174.900 -0.182 0.000 1.444 192 G CA -0.405 44.650 45.100 -0.076 0.000 1.144 192 G HN 0.305 nan 8.290 nan 0.000 0.550 193 V N 3.232 122.953 119.914 -0.321 0.000 2.398 193 V HA 0.666 4.787 4.120 0.001 0.000 0.286 193 V C -0.440 175.003 176.094 -1.085 0.000 1.026 193 V CA -0.543 61.428 62.300 -0.547 0.000 0.868 193 V CB 1.342 32.856 31.823 -0.515 0.000 0.982 193 V HN 0.979 nan 8.190 nan 0.000 0.443 194 D N 2.682 122.532 120.400 -0.917 0.000 2.867 194 D HA 0.789 5.430 4.640 0.001 0.000 0.308 194 D C 0.084 176.167 176.300 -0.361 0.000 1.202 194 D CA 0.038 53.404 54.000 -1.056 0.000 1.035 194 D CB 1.564 42.003 40.800 -0.601 0.000 1.427 194 D HN 1.186 nan 8.370 nan 0.000 0.570 195 G N -0.728 108.084 108.800 0.019 0.000 2.592 195 G HA2 0.127 4.088 3.960 0.001 0.000 0.684 195 G HA3 0.127 4.088 3.960 0.001 0.000 0.684 195 G C -2.922 172.179 174.900 0.336 0.000 1.291 195 G CA -0.451 44.740 45.100 0.153 0.000 0.891 195 G HN 0.677 nan 8.290 nan 0.000 0.544 196 P HA 0.392 nan 4.420 nan 0.000 0.274 196 P C 0.675 178.080 177.300 0.176 0.000 1.246 196 P CA -0.163 63.043 63.100 0.176 0.000 0.795 196 P CB 0.974 32.736 31.700 0.103 0.000 1.006 197 E N 1.069 121.322 120.200 0.089 0.000 2.065 197 E HA -0.236 4.115 4.350 0.001 0.000 0.201 197 E C 1.503 178.134 176.600 0.052 0.000 1.016 197 E CA 2.296 58.716 56.400 0.033 0.000 0.818 197 E CB -0.948 28.741 29.700 -0.019 0.000 0.749 197 E HN 0.710 nan 8.360 nan 0.000 0.453 198 N N -1.207 117.521 118.700 0.046 0.000 2.398 198 N HA -0.037 4.703 4.740 0.001 0.000 0.188 198 N C 0.351 175.890 175.510 0.047 0.000 1.122 198 N CA 0.238 53.308 53.050 0.034 0.000 0.866 198 N CB 0.297 38.797 38.487 0.022 0.000 0.970 198 N HN -0.090 nan 8.380 nan 0.000 0.462 199 N N 0.299 119.046 118.700 0.078 0.000 2.570 199 N HA 0.173 4.914 4.740 0.001 0.000 0.261 199 N C -1.054 174.526 175.510 0.117 0.000 1.540 199 N CA -0.205 52.897 53.050 0.086 0.000 0.959 199 N CB 0.541 39.070 38.487 0.071 0.000 1.449 199 N HN 0.354 nan 8.380 nan 0.000 0.519 200 A N 0.404 123.317 122.820 0.154 0.000 2.455 200 A HA 0.466 4.787 4.320 0.001 0.000 0.244 200 A C -0.209 177.408 177.584 0.056 0.000 1.099 200 A CA 0.168 52.304 52.037 0.166 0.000 0.786 200 A CB 0.297 19.505 19.000 0.346 0.000 1.051 200 A HN 0.440 nan 8.150 nan 0.000 0.508 201 L N 0.441 121.633 121.223 -0.052 0.000 2.476 201 L HA 0.575 4.916 4.340 0.001 0.000 0.269 201 L C -0.931 175.848 176.870 -0.152 0.000 0.965 201 L CA -0.309 54.470 54.840 -0.102 0.000 0.845 201 L CB 1.729 43.723 42.059 -0.109 0.000 1.259 201 L HN 0.732 nan 8.230 nan 0.000 0.403 202 L N 5.138 126.305 121.223 -0.093 0.000 2.305 202 L HA 0.526 4.867 4.340 0.001 0.000 0.281 202 L C -0.806 176.028 176.870 -0.059 0.000 1.085 202 L CA -0.086 54.709 54.840 -0.075 0.000 0.813 202 L CB 0.398 42.458 42.059 0.003 0.000 1.157 202 L HN 0.633 nan 8.230 nan 0.000 0.436 203 K N 6.678 127.048 120.400 -0.050 0.000 2.324 203 K HA 0.578 4.899 4.320 0.001 0.000 0.253 203 K C -1.275 175.362 176.600 0.062 0.000 0.932 203 K CA -0.636 55.658 56.287 0.011 0.000 0.799 203 K CB 2.468 34.979 32.500 0.017 0.000 1.154 203 K HN 0.521 nan 8.250 nan 0.000 0.425 204 I N 2.144 122.773 120.570 0.098 0.000 2.474 204 I HA 0.350 4.521 4.170 0.001 0.000 0.294 204 I C -0.539 175.668 176.117 0.151 0.000 1.005 204 I CA -0.853 60.510 61.300 0.104 0.000 1.113 204 I CB 1.913 39.946 38.000 0.054 0.000 1.289 204 I HN 0.454 nan 8.210 nan 0.000 0.436 205 K N 5.447 125.943 120.400 0.161 0.000 2.426 205 K HA 0.370 4.691 4.320 0.001 0.000 0.254 205 K C -1.923 174.847 176.600 0.282 0.000 0.936 205 K CA -0.600 55.751 56.287 0.106 0.000 0.801 205 K CB 1.778 34.237 32.500 -0.068 0.000 1.139 205 K HN 0.475 nan 8.250 nan 0.000 0.424 206 Y N 4.509 124.850 120.300 0.068 0.000 2.402 206 Y HA 0.363 4.913 4.550 0.001 0.000 0.332 206 Y C 0.639 176.616 175.900 0.128 0.000 0.960 206 Y CA 0.740 58.896 58.100 0.093 0.000 1.228 206 Y CB 1.019 39.506 38.460 0.045 0.000 1.120 206 Y HN 1.007 nan 8.280 nan 0.000 0.491 207 G N 4.791 113.595 108.800 0.007 0.000 2.601 207 G HA2 -0.337 3.624 3.960 0.001 0.000 0.306 207 G HA3 -0.337 3.624 3.960 0.001 0.000 0.306 207 G C 0.863 175.836 174.900 0.122 0.000 1.172 207 G CA 0.724 45.868 45.100 0.073 0.000 0.966 207 G HN 0.494 nan 8.290 nan 0.000 0.542 208 E N 1.531 121.747 120.200 0.027 0.000 2.452 208 E HA 0.469 4.820 4.350 0.001 0.000 0.197 208 E C 1.365 177.895 176.600 -0.116 0.000 1.022 208 E CA 0.814 57.191 56.400 -0.037 0.000 0.890 208 E CB 0.395 30.094 29.700 -0.002 0.000 0.918 208 E HN 0.935 nan 8.360 nan 0.000 0.496 209 A N 0.975 123.763 122.820 -0.053 0.000 2.301 209 A HA 0.408 4.728 4.320 0.001 0.000 0.298 209 A C -0.889 176.626 177.584 -0.115 0.000 1.185 209 A CA -0.445 51.576 52.037 -0.028 0.000 0.830 209 A CB -0.066 18.985 19.000 0.085 0.000 1.112 209 A HN -0.018 nan 8.150 nan 0.000 0.508 210 Y N 1.899 122.263 120.300 0.106 0.000 2.496 210 Y HA 0.221 4.772 4.550 0.001 0.000 0.334 210 Y C 1.752 177.701 175.900 0.082 0.000 1.080 210 Y CA 0.962 59.117 58.100 0.091 0.000 1.355 210 Y CB 0.725 39.221 38.460 0.059 0.000 1.193 210 Y HN 0.794 nan 8.280 nan 0.000 0.523 211 T N -2.567 112.095 114.554 0.180 0.000 2.964 211 T HA 0.240 4.591 4.350 0.001 0.000 0.250 211 T C -0.052 174.696 174.700 0.080 0.000 0.982 211 T CA 0.116 62.285 62.100 0.115 0.000 0.959 211 T CB 0.566 69.483 68.868 0.082 0.000 1.141 211 T HN 0.469 nan 8.240 nan 0.000 0.494 212 D N 0.496 120.945 120.400 0.081 0.000 2.671 212 D HA 0.507 5.148 4.640 0.001 0.000 0.273 212 D C -1.447 174.878 176.300 0.042 0.000 1.264 212 D CA -0.049 53.982 54.000 0.052 0.000 0.788 212 D CB 2.157 42.975 40.800 0.029 0.000 1.324 212 D HN 0.349 nan 8.370 nan 0.000 0.424 213 T N -1.818 112.746 114.554 0.017 0.000 2.883 213 T HA 0.663 5.013 4.350 0.001 0.000 0.301 213 T C -1.538 173.159 174.700 -0.006 0.000 1.158 213 T CA -0.647 61.431 62.100 -0.037 0.000 1.007 213 T CB 1.507 70.279 68.868 -0.161 0.000 1.186 213 T HN 0.315 nan 8.240 nan 0.000 0.499 214 Y N 0.809 121.003 120.300 -0.178 0.000 2.462 214 Y HA 0.547 5.098 4.550 0.001 0.000 0.346 214 Y C -0.278 175.509 175.900 -0.189 0.000 0.976 214 Y CA -0.836 57.194 58.100 -0.116 0.000 1.044 214 Y CB 1.716 40.164 38.460 -0.021 0.000 1.230 214 Y HN 0.797 nan 8.280 nan 0.000 0.455 215 H N 2.256 121.156 119.070 -0.283 0.000 2.463 215 H HA 0.195 4.751 4.556 0.001 0.000 0.332 215 H C -0.213 175.109 175.328 -0.009 0.000 1.127 215 H CA -0.473 55.504 56.048 -0.119 0.000 1.238 215 H CB 2.082 31.756 29.762 -0.146 0.000 1.478 215 H HN 0.630 nan 8.280 nan 0.000 0.499 216 S N 2.099 117.891 115.700 0.154 0.000 2.593 216 S HA -0.118 4.352 4.470 0.001 0.000 0.300 216 S C 0.618 175.277 174.600 0.098 0.000 1.267 216 S CA 0.155 58.398 58.200 0.073 0.000 1.065 216 S CB -0.166 63.058 63.200 0.039 0.000 0.807 216 S HN 0.656 nan 8.310 nan 0.000 0.499 217 Y N 2.426 122.792 120.300 0.110 0.000 2.453 217 Y HA 0.687 5.238 4.550 0.001 0.000 0.247 217 Y C 1.085 177.028 175.900 0.072 0.000 1.124 217 Y CA -0.025 58.128 58.100 0.089 0.000 1.243 217 Y CB -0.200 38.346 38.460 0.142 0.000 1.213 217 Y HN 0.601 nan 8.280 nan 0.000 0.523 218 A N 0.338 123.027 122.820 -0.219 0.000 2.585 218 A HA 0.272 4.593 4.320 0.001 0.000 0.266 218 A C 0.411 177.952 177.584 -0.072 0.000 1.178 218 A CA -0.031 51.952 52.037 -0.091 0.000 0.966 218 A CB -0.640 18.281 19.000 -0.131 0.000 1.170 218 A HN 0.446 nan 8.150 nan 0.000 0.558 219 N N 0.202 118.861 118.700 -0.069 0.000 2.725 219 N HA -0.178 4.563 4.740 0.001 0.000 0.249 219 N C -0.532 174.963 175.510 -0.025 0.000 1.103 219 N CA 1.070 54.105 53.050 -0.024 0.000 0.707 219 N CB -1.028 37.458 38.487 -0.001 0.000 1.043 219 N HN 0.442 nan 8.380 nan 0.000 0.553 220 N N 0.721 119.392 118.700 -0.048 0.000 2.653 220 N HA 0.306 5.047 4.740 0.001 0.000 0.261 220 N C -0.778 174.715 175.510 -0.028 0.000 1.216 220 N CA -0.481 52.549 53.050 -0.034 0.000 0.784 220 N CB 0.290 38.753 38.487 -0.039 0.000 1.327 220 N HN 0.265 nan 8.380 nan 0.000 0.539 221 I N 1.212 121.793 120.570 0.019 0.000 7.316 221 I HA -0.334 3.836 4.170 0.001 0.000 0.126 221 I C 0.104 176.296 176.117 0.125 0.000 1.806 221 I CA 0.020 61.364 61.300 0.074 0.000 2.125 221 I CB -0.820 37.157 38.000 -0.038 0.000 3.572 221 I HN 0.404 nan 8.210 nan 0.000 0.196 222 L N 4.228 125.533 121.223 0.137 0.000 2.573 222 L HA 0.262 4.603 4.340 0.001 0.000 0.290 222 L C 0.614 177.613 176.870 0.216 0.000 1.247 222 L CA 1.244 56.141 54.840 0.096 0.000 0.876 222 L CB 0.283 42.387 42.059 0.074 0.000 1.123 222 L HN 0.467 nan 8.230 nan 0.000 0.505 223 R N 1.901 122.482 120.500 0.135 0.000 2.629 223 R HA 0.526 4.867 4.340 0.001 0.000 0.266 223 R C -0.964 175.377 176.300 0.069 0.000 1.051 223 R CA -0.264 55.939 56.100 0.171 0.000 0.895 223 R CB 1.848 32.230 30.300 0.137 0.000 1.246 223 R HN 0.811 nan 8.270 nan 0.000 0.459 224 T N -0.526 114.060 114.554 0.053 0.000 2.633 224 T HA 0.209 4.560 4.350 0.001 0.000 0.262 224 T C 0.436 175.113 174.700 -0.040 0.000 0.920 224 T CA -0.324 61.760 62.100 -0.028 0.000 1.062 224 T CB 1.531 70.358 68.868 -0.069 0.000 1.390 224 T HN 0.595 nan 8.240 nan 0.000 0.549 225 Q N 0.055 119.789 119.800 -0.109 0.000 2.167 225 Q HA -0.006 4.335 4.340 0.001 0.000 0.202 225 Q C -0.142 175.785 176.000 -0.123 0.000 0.970 225 Q CA 1.005 56.733 55.803 -0.125 0.000 0.855 225 Q CB 0.089 28.723 28.738 -0.172 0.000 0.911 225 Q HN 0.586 nan 8.270 nan 0.000 0.438 226 E N -0.023 120.079 120.200 -0.164 0.000 2.586 226 E HA -0.177 4.174 4.350 0.001 0.000 0.259 226 E C -0.619 175.701 176.600 -0.466 0.000 1.107 226 E CA 1.192 57.502 56.400 -0.151 0.000 0.754 226 E CB -2.247 27.551 29.700 0.163 0.000 1.335 226 E HN 0.461 nan 8.360 nan 0.000 0.411 227 S N -2.798 112.383 115.700 -0.865 0.000 2.636 227 S HA 0.722 5.192 4.470 0.001 0.000 0.268 227 S C -0.366 173.741 174.600 -0.822 0.000 1.159 227 S CA -0.647 56.964 58.200 -0.982 0.000 0.815 227 S CB 1.638 64.707 63.200 -0.220 0.000 1.130 227 S HN 0.698 nan 8.310 nan 0.000 0.471 228 A N 0.857 123.465 122.820 -0.354 0.000 2.548 228 A HA 0.466 4.787 4.320 0.001 0.000 0.247 228 A C 1.072 178.621 177.584 -0.059 0.000 1.067 228 A CA -0.054 51.946 52.037 -0.062 0.000 0.757 228 A CB -1.596 17.529 19.000 0.209 0.000 0.996 228 A HN 1.692 nan 8.150 nan 0.000 0.504 229 c N 2.144 120.710 118.600 -0.056 0.000 2.776 229 c HA 0.507 5.077 4.570 0.001 0.000 0.300 229 c C 0.321 174.442 174.090 0.051 0.000 1.462 229 c CA -1.236 55.086 56.329 -0.012 0.000 2.246 229 c CB -0.196 42.298 42.510 -0.027 0.000 2.203 229 c HN 0.797 nan 8.230 nan 0.000 0.701 230 N N -0.469 118.269 118.700 0.062 0.000 2.500 230 N HA 0.388 5.129 4.740 0.001 0.000 0.291 230 N C -1.674 173.983 175.510 0.245 0.000 1.092 230 N CA -0.141 52.978 53.050 0.114 0.000 0.890 230 N CB 1.763 40.133 38.487 -0.194 0.000 1.466 230 N HN 0.767 nan 8.380 nan 0.000 0.507 231 c N 2.561 121.342 118.600 0.302 0.000 2.382 231 c HA 0.657 5.228 4.570 0.001 0.000 0.327 231 c C 0.516 174.708 174.090 0.169 0.000 1.250 231 c CA -0.787 55.652 56.329 0.183 0.000 1.707 231 c CB 0.241 42.764 42.510 0.020 0.000 2.272 231 c HN 0.664 nan 8.230 nan 0.000 0.506 232 I N 1.893 122.502 120.570 0.066 0.000 2.533 232 I HA 0.579 4.750 4.170 0.001 0.000 0.290 232 I C 0.857 176.715 176.117 -0.433 0.000 1.056 232 I CA 0.396 61.554 61.300 -0.236 0.000 1.057 232 I CB 1.572 39.516 38.000 -0.093 0.000 1.240 232 I HN 0.940 nan 8.210 nan 0.000 0.423 233 G N 4.629 112.902 108.800 -0.880 0.000 2.296 233 G HA2 -0.191 3.770 3.960 0.001 0.000 0.282 233 G HA3 -0.191 3.770 3.960 0.001 0.000 0.282 233 G C 1.026 175.301 174.900 -1.041 0.000 1.014 233 G CA 0.593 45.246 45.100 -0.744 0.000 0.812 233 G HN 2.008 nan 8.290 nan 0.000 0.508 234 G N -1.669 106.475 108.800 -1.094 0.000 2.176 234 G HA2 -0.287 3.674 3.960 0.001 0.000 0.253 234 G HA3 -0.287 3.674 3.960 0.001 0.000 0.253 234 G C 0.085 174.469 174.900 -0.860 0.000 0.979 234 G CA 0.383 44.524 45.100 -1.599 0.000 0.641 234 G HN 1.011 nan 8.290 nan 0.000 0.530 235 N N 0.459 118.823 118.700 -0.558 0.000 2.437 235 N HA 0.491 5.232 4.740 0.001 0.000 0.259 235 N C -0.187 175.105 175.510 -0.364 0.000 0.983 235 N CA 0.090 52.871 53.050 -0.448 0.000 0.937 235 N CB 1.300 39.569 38.487 -0.363 0.000 1.122 235 N HN 0.243 nan 8.380 nan 0.000 0.499 236 c N 2.681 121.044 118.600 -0.394 0.000 2.341 236 c HA 0.486 5.057 4.570 0.001 0.000 0.338 236 c C -0.178 173.691 174.090 -0.369 0.000 1.257 236 c CA -0.777 55.412 56.329 -0.234 0.000 1.883 236 c CB -0.942 41.482 42.510 -0.144 0.000 2.334 236 c HN 0.562 nan 8.230 nan 0.000 0.524 237 Y N 2.290 122.562 120.300 -0.047 0.000 2.352 237 Y HA 0.696 5.247 4.550 0.001 0.000 0.339 237 Y C -0.104 175.811 175.900 0.024 0.000 0.992 237 Y CA -0.760 57.331 58.100 -0.015 0.000 1.100 237 Y CB 1.270 39.701 38.460 -0.049 0.000 1.192 237 Y HN 0.535 nan 8.280 nan 0.000 0.458 238 L N 4.954 126.282 121.223 0.176 0.000 2.438 238 L HA 0.519 4.860 4.340 0.001 0.000 0.270 238 L C -1.069 175.719 176.870 -0.138 0.000 0.972 238 L CA -0.809 54.042 54.840 0.018 0.000 0.831 238 L CB 1.730 43.737 42.059 -0.086 0.000 1.273 238 L HN 0.708 nan 8.230 nan 0.000 0.405 239 M N 6.358 125.746 119.600 -0.354 0.000 2.235 239 M HA 0.521 5.002 4.480 0.001 0.000 0.351 239 M C -0.926 175.125 176.300 -0.415 0.000 1.178 239 M CA -0.296 54.517 55.300 -0.812 0.000 1.143 239 M CB 0.821 32.959 32.600 -0.770 0.000 1.530 239 M HN 0.738 nan 8.290 nan 0.000 0.461 240 I N 0.278 120.623 120.570 -0.375 0.000 3.095 240 I HA 0.757 4.928 4.170 0.001 0.000 0.310 240 I C -1.002 175.090 176.117 -0.041 0.000 1.196 240 I CA -0.596 60.616 61.300 -0.147 0.000 0.985 240 I CB 2.589 40.543 38.000 -0.076 0.000 1.250 240 I HN 0.610 nan 8.210 nan 0.000 0.446 241 T N 0.779 115.355 114.554 0.037 0.000 2.816 241 T HA 0.522 4.873 4.350 0.001 0.000 0.299 241 T C -2.147 172.540 174.700 -0.021 0.000 1.230 241 T CA -0.213 61.931 62.100 0.073 0.000 1.007 241 T CB 1.855 70.739 68.868 0.027 0.000 1.289 241 T HN 0.915 nan 8.240 nan 0.000 0.508 242 D N -0.677 119.653 120.400 -0.116 0.000 2.769 242 D HA 0.606 5.247 4.640 0.001 0.000 0.219 242 D C -0.329 175.857 176.300 -0.190 0.000 1.245 242 D CA 0.982 54.815 54.000 -0.278 0.000 0.801 242 D CB 1.633 41.943 40.800 -0.817 0.000 1.598 242 D HN 1.073 nan 8.370 nan 0.000 0.485 243 G N 0.684 109.402 108.800 -0.137 0.000 2.346 243 G HA2 0.338 4.299 3.960 0.001 0.000 0.294 243 G HA3 0.338 4.299 3.960 0.001 0.000 0.294 243 G C -1.195 173.660 174.900 -0.075 0.000 1.294 243 G CA -0.162 44.880 45.100 -0.098 0.000 0.962 243 G HN 0.614 nan 8.290 nan 0.000 0.508 244 S N -0.243 115.421 115.700 -0.060 0.000 2.523 244 S HA 0.567 5.038 4.470 0.001 0.000 0.275 244 S C 1.642 176.248 174.600 0.011 0.000 1.281 244 S CA 0.856 59.042 58.200 -0.023 0.000 1.050 244 S CB 1.070 64.267 63.200 -0.006 0.000 0.937 244 S HN 2.086 nan 8.310 nan 0.000 0.492 245 A N 4.171 127.014 122.820 0.037 0.000 2.125 245 A HA 0.034 4.355 4.320 0.001 0.000 0.219 245 A C 2.060 179.702 177.584 0.096 0.000 1.156 245 A CA 1.576 53.672 52.037 0.099 0.000 0.671 245 A CB -0.462 18.563 19.000 0.041 0.000 0.794 245 A HN 0.743 nan 8.150 nan 0.000 0.459 246 S N -1.893 113.826 115.700 0.032 0.000 2.524 246 S HA 0.391 4.861 4.470 0.001 0.000 0.215 246 S C 1.030 175.588 174.600 -0.070 0.000 0.986 246 S CA 0.328 58.504 58.200 -0.041 0.000 0.911 246 S CB 0.460 63.637 63.200 -0.038 0.000 0.805 246 S HN 0.787 nan 8.310 nan 0.000 0.501 247 G N 0.964 109.774 108.800 0.016 0.000 3.291 247 G HA2 0.489 4.450 3.960 0.001 0.000 0.173 247 G HA3 0.489 4.450 3.960 0.001 0.000 0.173 247 G C -0.797 174.191 174.900 0.146 0.000 1.099 247 G CA -0.631 44.507 45.100 0.064 0.000 0.794 247 G HN 0.130 nan 8.290 nan 0.000 0.651 248 I N 1.668 122.319 120.570 0.136 0.000 2.556 248 I HA 0.330 4.501 4.170 0.001 0.000 0.284 248 I C -0.184 175.855 176.117 -0.130 0.000 1.114 248 I CA 0.332 61.677 61.300 0.075 0.000 1.418 248 I CB 0.568 38.617 38.000 0.083 0.000 1.394 248 I HN 0.063 nan 8.210 nan 0.000 0.552 249 S N 5.396 120.904 115.700 -0.320 0.000 2.383 249 S HA 0.170 4.640 4.470 0.001 0.000 0.196 249 S C -0.125 174.399 174.600 -0.126 0.000 1.364 249 S CA -0.690 57.317 58.200 -0.320 0.000 1.212 249 S CB 0.649 63.486 63.200 -0.604 0.000 1.171 249 S HN 0.605 nan 8.310 nan 0.000 0.456 250 E N 2.462 122.683 120.200 0.036 0.000 2.105 250 E HA 0.271 4.621 4.350 0.001 0.000 0.285 250 E C 0.489 177.208 176.600 0.198 0.000 1.055 250 E CA -0.585 55.886 56.400 0.117 0.000 0.843 250 E CB 0.330 30.112 29.700 0.137 0.000 1.067 250 E HN 0.766 nan 8.360 nan 0.000 0.398 251 C N 3.918 123.301 119.300 0.139 0.000 2.580 251 C HA 0.588 5.049 4.460 0.001 0.000 0.371 251 C C 0.161 175.205 174.990 0.091 0.000 1.308 251 C CA -0.660 58.424 59.018 0.110 0.000 2.428 251 C CB 0.174 27.919 27.740 0.007 0.000 2.529 251 C HN 0.838 nan 8.230 nan 0.000 0.657 252 R N 0.550 121.039 120.500 -0.018 0.000 2.905 252 R HA 0.736 5.077 4.340 0.001 0.000 0.260 252 R C -1.673 174.464 176.300 -0.272 0.000 1.086 252 R CA -0.508 55.549 56.100 -0.072 0.000 0.978 252 R CB 1.249 31.445 30.300 -0.174 0.000 1.215 252 R HN 0.688 nan 8.270 nan 0.000 0.480 253 F N 0.820 120.678 119.950 -0.153 0.000 2.540 253 F HA 0.461 4.988 4.527 0.001 0.000 0.317 253 F C -0.343 175.328 175.800 -0.215 0.000 1.104 253 F CA -0.785 57.136 58.000 -0.132 0.000 0.913 253 F CB 1.649 40.618 39.000 -0.051 0.000 1.170 253 F HN 0.019 nan 8.300 nan 0.000 0.450 254 L N 3.208 124.379 121.223 -0.087 0.000 2.322 254 L HA 0.517 4.858 4.340 0.001 0.000 0.279 254 L C -0.394 176.394 176.870 -0.137 0.000 1.036 254 L CA -0.906 53.822 54.840 -0.186 0.000 0.807 254 L CB 1.840 43.726 42.059 -0.289 0.000 1.226 254 L HN 0.526 nan 8.230 nan 0.000 0.433 255 K N 3.971 124.237 120.400 -0.223 0.000 2.307 255 K HA 0.655 4.975 4.320 0.001 0.000 0.263 255 K C -1.335 175.056 176.600 -0.347 0.000 0.973 255 K CA -0.412 55.617 56.287 -0.430 0.000 0.846 255 K CB 1.123 33.380 32.500 -0.405 0.000 1.100 255 K HN 0.525 nan 8.250 nan 0.000 0.438 256 I N 3.884 124.224 120.570 -0.383 0.000 2.498 256 I HA 0.427 4.598 4.170 0.001 0.000 0.290 256 I C -0.575 175.346 176.117 -0.326 0.000 1.032 256 I CA -0.936 60.194 61.300 -0.284 0.000 1.073 256 I CB 2.127 39.997 38.000 -0.216 0.000 1.251 256 I HN 0.547 nan 8.210 nan 0.000 0.426 257 R N 5.128 125.446 120.500 -0.304 0.000 2.476 257 R HA 0.339 4.680 4.340 0.001 0.000 0.305 257 R C -0.561 175.507 176.300 -0.387 0.000 0.965 257 R CA -0.348 55.543 56.100 -0.347 0.000 0.867 257 R CB 1.126 31.244 30.300 -0.304 0.000 1.176 257 R HN 0.705 nan 8.270 nan 0.000 0.447 258 E N 2.762 122.627 120.200 -0.557 0.000 2.269 258 E HA -0.278 4.073 4.350 0.001 0.000 0.223 258 E C 0.534 176.531 176.600 -1.005 0.000 1.244 258 E CA 0.923 56.696 56.400 -1.045 0.000 0.713 258 E CB -1.073 28.365 29.700 -0.437 0.000 1.178 258 E HN 1.153 nan 8.360 nan 0.000 0.370 259 G N -0.318 108.028 108.800 -0.758 0.000 2.205 259 G HA2 -0.369 3.592 3.960 0.001 0.000 0.261 259 G HA3 -0.369 3.592 3.960 0.001 0.000 0.261 259 G C 0.248 175.054 174.900 -0.158 0.000 0.980 259 G CA 0.536 45.452 45.100 -0.307 0.000 0.632 259 G HN 0.316 nan 8.290 nan 0.000 0.533 260 R N -0.500 119.887 120.500 -0.188 0.000 2.637 260 R HA 0.654 4.995 4.340 0.001 0.000 0.291 260 R C 0.009 176.238 176.300 -0.117 0.000 0.963 260 R CA -1.004 55.030 56.100 -0.109 0.000 0.901 260 R CB 1.493 31.743 30.300 -0.084 0.000 1.160 260 R HN 0.200 nan 8.270 nan 0.000 0.457 261 I N 4.529 125.058 120.570 -0.069 0.000 2.436 261 I HA 0.052 4.223 4.170 0.001 0.000 0.289 261 I C 1.448 177.524 176.117 -0.068 0.000 1.083 261 I CA 0.329 61.585 61.300 -0.073 0.000 1.372 261 I CB 0.642 38.637 38.000 -0.009 0.000 1.408 261 I HN 0.683 nan 8.210 nan 0.000 0.516 262 I N 2.566 123.071 120.570 -0.109 0.000 4.139 262 I HA 0.403 4.574 4.170 0.001 0.000 0.335 262 I C 0.404 176.475 176.117 -0.077 0.000 1.327 262 I CA -0.044 61.203 61.300 -0.089 0.000 1.112 262 I CB 0.197 38.130 38.000 -0.112 0.000 1.058 262 I HN 0.429 nan 8.210 nan 0.000 0.396 263 K N 1.536 121.879 120.400 -0.096 0.000 2.557 263 K HA 0.420 4.740 4.320 0.001 0.000 0.261 263 K C -1.423 175.095 176.600 -0.137 0.000 0.932 263 K CA -0.469 55.764 56.287 -0.091 0.000 0.829 263 K CB 2.428 34.881 32.500 -0.079 0.000 1.358 263 K HN 0.094 nan 8.250 nan 0.000 0.430 264 E N 3.140 123.229 120.200 -0.185 0.000 2.175 264 E HA 0.407 4.757 4.350 0.001 0.000 0.278 264 E C -0.763 175.497 176.600 -0.567 0.000 0.969 264 E CA -0.599 55.572 56.400 -0.381 0.000 0.796 264 E CB 1.754 31.193 29.700 -0.435 0.000 1.104 264 E HN 0.333 nan 8.360 nan 0.000 0.395 265 I N 3.500 123.765 120.570 -0.510 0.000 2.418 265 I HA 0.294 4.465 4.170 0.001 0.000 0.287 265 I C -1.016 174.865 176.117 -0.393 0.000 1.008 265 I CA -0.782 60.304 61.300 -0.357 0.000 1.104 265 I CB 0.819 38.781 38.000 -0.065 0.000 1.264 265 I HN 0.383 nan 8.210 nan 0.000 0.438 266 F N 6.439 126.420 119.950 0.053 0.000 2.361 266 F HA 0.498 5.026 4.527 0.001 0.000 0.364 266 F C -2.084 173.754 175.800 0.063 0.000 1.120 266 F CA -2.533 55.491 58.000 0.041 0.000 1.102 266 F CB 0.253 39.257 39.000 0.006 0.000 1.183 266 F HN 0.206 nan 8.300 nan 0.000 0.476 267 P HA 0.278 nan 4.420 nan 0.000 0.274 267 P C -0.202 177.184 177.300 0.144 0.000 1.237 267 P CA -0.413 62.796 63.100 0.183 0.000 0.793 267 P CB 0.816 32.646 31.700 0.218 0.000 0.977 268 T N -2.119 112.495 114.554 0.101 0.000 2.949 268 T HA 0.729 5.080 4.350 0.001 0.000 0.287 268 T C 0.472 175.185 174.700 0.021 0.000 1.034 268 T CA 0.019 62.153 62.100 0.057 0.000 1.018 268 T CB 1.458 70.353 68.868 0.045 0.000 1.135 268 T HN 0.762 nan 8.240 nan 0.000 0.532 269 G N 1.087 109.875 108.800 -0.019 0.000 2.578 269 G HA2 -0.157 3.804 3.960 0.001 0.000 0.232 269 G HA3 -0.157 3.804 3.960 0.001 0.000 0.232 269 G C -0.296 174.566 174.900 -0.064 0.000 1.176 269 G CA -0.350 44.703 45.100 -0.077 0.000 0.968 269 G HN 0.874 nan 8.290 nan 0.000 0.583 270 R N 1.691 122.136 120.500 -0.092 0.000 2.612 270 R HA 0.351 4.692 4.340 0.001 0.000 0.273 270 R C 1.411 177.717 176.300 0.010 0.000 1.376 270 R CA 0.796 56.861 56.100 -0.058 0.000 1.171 270 R CB -0.257 29.988 30.300 -0.091 0.000 1.151 270 R HN 1.263 nan 8.270 nan 0.000 0.560 271 V N 1.045 120.975 119.914 0.026 0.000 3.528 271 V HA 0.152 4.273 4.120 0.001 0.000 0.294 271 V C 1.981 178.125 176.094 0.083 0.000 1.404 271 V CA -0.107 62.234 62.300 0.069 0.000 1.065 271 V CB 0.030 31.896 31.823 0.072 0.000 0.904 271 V HN 0.447 nan 8.190 nan 0.000 0.435 272 K N 1.048 121.488 120.400 0.067 0.000 2.071 272 K HA -0.262 4.058 4.320 0.001 0.000 0.217 272 K C 0.618 177.353 176.600 0.224 0.000 1.054 272 K CA 2.460 58.805 56.287 0.096 0.000 0.937 272 K CB -0.201 32.305 32.500 0.011 0.000 0.719 272 K HN 0.793 nan 8.250 nan 0.000 0.454 273 H N -1.217 117.954 119.070 0.168 0.000 3.224 273 H HA 0.220 4.777 4.556 0.001 0.000 0.331 273 H C -1.814 173.581 175.328 0.112 0.000 1.002 273 H CA -0.653 55.496 56.048 0.167 0.000 1.473 273 H CB 1.678 31.579 29.762 0.231 0.000 1.830 273 H HN -0.021 nan 8.280 nan 0.000 0.485 274 T N 5.337 120.067 114.554 0.293 0.000 2.937 274 T HA 0.287 4.638 4.350 0.001 0.000 0.297 274 T C -0.967 173.839 174.700 0.177 0.000 0.991 274 T CA -0.950 61.283 62.100 0.222 0.000 0.990 274 T CB 1.455 70.411 68.868 0.147 0.000 0.991 274 T HN 0.633 nan 8.240 nan 0.000 0.440 275 E N 1.352 121.646 120.200 0.157 0.000 2.416 275 E HA 0.484 4.835 4.350 0.001 0.000 0.273 275 E C -0.936 175.681 176.600 0.028 0.000 0.935 275 E CA -1.322 55.131 56.400 0.088 0.000 0.784 275 E CB 1.581 31.355 29.700 0.124 0.000 1.301 275 E HN 0.610 nan 8.360 nan 0.000 0.454 276 E N -0.195 120.006 120.200 0.001 0.000 2.183 276 E HA -0.205 4.146 4.350 0.001 0.000 0.196 276 E C -0.752 175.831 176.600 -0.029 0.000 1.364 276 E CA 0.141 56.520 56.400 -0.035 0.000 0.700 276 E CB -1.680 27.968 29.700 -0.086 0.000 1.106 276 E HN 0.388 nan 8.360 nan 0.000 0.347 277 c N 1.192 119.782 118.600 -0.017 0.000 2.633 277 c HA 0.093 4.664 4.570 0.001 0.000 0.415 277 c C 1.252 175.369 174.090 0.045 0.000 1.393 277 c CA -0.116 56.228 56.329 0.026 0.000 1.700 277 c CB -0.147 42.397 42.510 0.056 0.000 2.541 277 c HN 0.313 nan 8.230 nan 0.000 0.603 278 T N 3.757 118.371 114.554 0.101 0.000 2.738 278 T HA 0.365 4.716 4.350 0.001 0.000 0.298 278 T C -0.107 174.717 174.700 0.207 0.000 0.962 278 T CA -0.210 61.987 62.100 0.160 0.000 0.972 278 T CB 0.101 69.107 68.868 0.231 0.000 0.928 278 T HN 0.790 nan 8.240 nan 0.000 0.474 279 c N 2.859 121.534 118.600 0.125 0.000 2.561 279 c HA 1.018 5.589 4.570 0.001 0.000 0.319 279 c C 0.914 175.004 174.090 -0.000 0.000 1.198 279 c CA -0.552 55.826 56.329 0.082 0.000 1.665 279 c CB 1.247 43.790 42.510 0.055 0.000 2.258 279 c HN 1.107 nan 8.230 nan 0.000 0.493 280 G N 0.358 109.137 108.800 -0.035 0.000 2.608 280 G HA2 0.660 4.621 3.960 0.001 0.000 0.291 280 G HA3 0.660 4.621 3.960 0.001 0.000 0.291 280 G C -1.721 173.042 174.900 -0.228 0.000 1.425 280 G CA -0.482 44.582 45.100 -0.061 0.000 0.787 280 G HN 0.429 nan 8.290 nan 0.000 0.484 281 F N 1.133 121.013 119.950 -0.118 0.000 2.424 281 F HA 0.504 5.032 4.527 0.001 0.000 0.356 281 F C 1.414 176.822 175.800 -0.654 0.000 1.110 281 F CA 0.173 58.010 58.000 -0.271 0.000 1.161 281 F CB 2.055 40.975 39.000 -0.133 0.000 1.115 281 F HN 0.564 nan 8.300 nan 0.000 0.507 282 A N 2.350 124.840 122.820 -0.549 0.000 2.072 282 A HA 0.290 4.611 4.320 0.001 0.000 0.216 282 A C 0.699 178.204 177.584 -0.131 0.000 1.156 282 A CA 1.064 52.800 52.037 -0.503 0.000 0.701 282 A CB -0.253 18.590 19.000 -0.261 0.000 0.816 282 A HN 0.731 nan 8.150 nan 0.000 0.458 283 S N -3.063 112.623 115.700 -0.022 0.000 2.669 283 S HA 0.191 4.662 4.470 0.001 0.000 0.266 283 S C -0.073 174.548 174.600 0.035 0.000 1.149 283 S CA -0.263 57.940 58.200 0.005 0.000 0.842 283 S CB -0.092 63.105 63.200 -0.006 0.000 1.160 283 S HN -0.002 nan 8.310 nan 0.000 0.487 284 N N 0.712 119.401 118.700 -0.018 0.000 2.430 284 N HA -0.046 4.694 4.740 0.001 0.000 0.186 284 N C 1.173 176.702 175.510 0.033 0.000 1.032 284 N CA 1.371 54.407 53.050 -0.022 0.000 0.893 284 N CB -0.332 38.141 38.487 -0.023 0.000 0.957 284 N HN 0.655 nan 8.380 nan 0.000 0.442 285 K N -0.740 119.676 120.400 0.027 0.000 2.335 285 K HA 0.096 4.417 4.320 0.001 0.000 0.195 285 K C -0.339 176.253 176.600 -0.013 0.000 1.058 285 K CA 0.610 56.901 56.287 0.008 0.000 0.988 285 K CB 0.556 33.053 32.500 -0.006 0.000 0.880 285 K HN -0.079 nan 8.250 nan 0.000 0.513 286 T N 0.957 115.511 114.554 0.001 0.000 2.848 286 T HA 0.443 4.794 4.350 0.001 0.000 0.285 286 T C -0.559 174.080 174.700 -0.102 0.000 0.995 286 T CA -0.608 61.452 62.100 -0.066 0.000 0.970 286 T CB 1.857 70.686 68.868 -0.065 0.000 0.976 286 T HN 0.001 nan 8.240 nan 0.000 0.441 287 I N 2.637 123.058 120.570 -0.248 0.000 2.392 287 I HA 0.437 4.608 4.170 0.001 0.000 0.295 287 I C 0.307 176.300 176.117 -0.206 0.000 0.985 287 I CA -0.629 60.457 61.300 -0.356 0.000 1.221 287 I CB 1.465 39.133 38.000 -0.553 0.000 1.366 287 I HN 0.553 nan 8.210 nan 0.000 0.467 288 E N 4.408 124.570 120.200 -0.062 0.000 2.312 288 E HA 0.620 4.971 4.350 0.001 0.000 0.267 288 E C -1.638 174.993 176.600 0.052 0.000 0.894 288 E CA -0.721 55.688 56.400 0.016 0.000 0.773 288 E CB 2.503 32.397 29.700 0.323 0.000 1.241 288 E HN 0.486 nan 8.360 nan 0.000 0.432 289 c N 1.489 119.946 118.600 -0.239 0.000 2.686 289 c HA 0.732 5.302 4.570 0.001 0.000 0.318 289 c C -0.327 173.504 174.090 -0.432 0.000 1.160 289 c CA -0.777 55.496 56.329 -0.094 0.000 1.396 289 c CB 1.008 43.549 42.510 0.052 0.000 1.924 289 c HN 0.796 nan 8.230 nan 0.000 0.471 290 A N 1.855 124.548 122.820 -0.211 0.000 2.249 290 A HA 0.743 5.064 4.320 0.001 0.000 0.314 290 A C -0.024 177.555 177.584 -0.007 0.000 1.290 290 A CA -0.176 51.737 52.037 -0.208 0.000 0.893 290 A CB 0.006 18.878 19.000 -0.213 0.000 1.165 290 A HN 1.000 nan 8.150 nan 0.000 0.530 291 c N 1.006 119.615 118.600 0.015 0.000 2.768 291 c HA 0.855 5.426 4.570 0.001 0.000 0.411 291 c C 0.455 174.562 174.090 0.029 0.000 1.793 291 c CA -0.793 55.557 56.329 0.035 0.000 1.747 291 c CB 1.050 43.596 42.510 0.060 0.000 2.128 291 c HN 0.919 nan 8.230 nan 0.000 0.472 292 R N 1.029 121.544 120.500 0.025 0.000 2.561 292 R HA 0.386 4.727 4.340 0.001 0.000 0.297 292 R C -1.956 174.343 176.300 -0.001 0.000 0.969 292 R CA -0.098 55.998 56.100 -0.005 0.000 0.879 292 R CB 1.243 31.521 30.300 -0.036 0.000 1.178 292 R HN 0.859 nan 8.270 nan 0.000 0.445 293 D N 3.025 123.386 120.400 -0.065 0.000 2.349 293 D HA 0.092 4.733 4.640 0.001 0.000 0.232 293 D C -0.313 175.769 176.300 -0.364 0.000 1.071 293 D CA -0.259 53.622 54.000 -0.199 0.000 0.832 293 D CB 1.494 42.249 40.800 -0.074 0.000 1.086 293 D HN 0.639 nan 8.370 nan 0.000 0.504 294 N N 1.630 119.912 118.700 -0.697 0.000 2.336 294 N HA 0.053 4.794 4.740 0.001 0.000 0.189 294 N C 0.362 175.593 175.510 -0.465 0.000 1.113 294 N CA 0.255 53.039 53.050 -0.443 0.000 0.858 294 N CB 0.534 38.881 38.487 -0.233 0.000 0.970 294 N HN 0.148 nan 8.380 nan 0.000 0.471 295 S N -1.566 113.739 115.700 -0.659 0.000 3.056 295 S HA 0.177 4.648 4.470 0.001 0.000 0.255 295 S C 0.599 174.898 174.600 -0.502 0.000 1.079 295 S CA -0.118 57.699 58.200 -0.638 0.000 0.810 295 S CB 0.019 62.581 63.200 -1.064 0.000 0.810 295 S HN 0.238 nan 8.310 nan 0.000 0.477 296 Y N 1.770 121.992 120.300 -0.129 0.000 2.522 296 Y HA 0.462 5.013 4.550 0.001 0.000 0.277 296 Y C 1.156 176.998 175.900 -0.097 0.000 1.104 296 Y CA 0.226 58.278 58.100 -0.080 0.000 1.260 296 Y CB 0.315 38.751 38.460 -0.040 0.000 1.151 296 Y HN 0.219 nan 8.280 nan 0.000 0.539 297 T N -1.453 113.110 114.554 0.014 0.000 2.853 297 T HA 0.640 4.991 4.350 0.001 0.000 0.311 297 T C -0.086 174.554 174.700 -0.099 0.000 1.307 297 T CA -0.103 61.965 62.100 -0.052 0.000 1.019 297 T CB 1.387 70.231 68.868 -0.040 0.000 1.264 297 T HN -0.016 nan 8.240 nan 0.000 0.497 298 A N 2.338 125.064 122.820 -0.156 0.000 2.308 298 A HA 0.385 4.706 4.320 0.001 0.000 0.217 298 A C 0.693 178.202 177.584 -0.124 0.000 1.216 298 A CA 0.058 52.010 52.037 -0.141 0.000 0.864 298 A CB -0.131 18.772 19.000 -0.162 0.000 0.902 298 A HN 0.664 nan 8.150 nan 0.000 0.499 299 K N 1.117 121.428 120.400 -0.148 0.000 2.218 299 K HA 0.304 4.625 4.320 0.001 0.000 0.276 299 K C -0.315 176.282 176.600 -0.004 0.000 1.022 299 K CA -0.375 55.883 56.287 -0.048 0.000 0.946 299 K CB 0.892 33.360 32.500 -0.053 0.000 1.000 299 K HN 0.267 nan 8.250 nan 0.000 0.468 300 R N 3.025 123.540 120.500 0.025 0.000 2.389 300 R HA 0.150 4.491 4.340 0.001 0.000 0.295 300 R C -2.288 174.082 176.300 0.117 0.000 1.075 300 R CA -1.832 54.300 56.100 0.053 0.000 1.005 300 R CB 0.256 30.586 30.300 0.050 0.000 0.987 300 R HN 0.359 nan 8.270 nan 0.000 0.452 301 P HA -0.012 nan 4.420 nan 0.000 0.269 301 P C -1.049 176.409 177.300 0.263 0.000 1.215 301 P CA 0.259 63.464 63.100 0.175 0.000 0.780 301 P CB 0.393 32.178 31.700 0.142 0.000 0.898 302 F N 2.474 122.555 119.950 0.219 0.000 2.579 302 F HA 0.366 4.893 4.527 0.001 0.000 0.325 302 F C -1.008 175.043 175.800 0.417 0.000 1.162 302 F CA -0.740 57.422 58.000 0.271 0.000 0.946 302 F CB 1.202 40.382 39.000 0.299 0.000 1.211 302 F HN -0.061 nan 8.300 nan 0.000 0.447 303 V N 5.719 125.652 119.914 0.032 0.000 2.481 303 V HA 0.431 4.552 4.120 0.001 0.000 0.286 303 V C -0.580 175.542 176.094 0.047 0.000 1.042 303 V CA -0.806 61.587 62.300 0.155 0.000 0.928 303 V CB 1.706 33.593 31.823 0.107 0.000 0.986 303 V HN 0.595 nan 8.190 nan 0.000 0.462 304 K N 4.925 125.425 120.400 0.166 0.000 2.450 304 K HA 0.575 4.896 4.320 0.001 0.000 0.257 304 K C -1.252 175.310 176.600 -0.063 0.000 0.953 304 K CA -0.468 55.825 56.287 0.009 0.000 0.844 304 K CB 2.209 34.677 32.500 -0.052 0.000 1.103 304 K HN 0.507 nan 8.250 nan 0.000 0.429 305 L N 3.450 124.543 121.223 -0.216 0.000 2.305 305 L HA 0.348 4.689 4.340 0.001 0.000 0.284 305 L C -0.796 175.913 176.870 -0.268 0.000 1.013 305 L CA -0.710 53.931 54.840 -0.331 0.000 0.819 305 L CB 1.138 42.830 42.059 -0.612 0.000 1.227 305 L HN 0.622 nan 8.230 nan 0.000 0.417 306 N N 4.057 122.644 118.700 -0.189 0.000 2.420 306 N HA 0.066 4.806 4.740 0.001 0.000 0.249 306 N C 0.632 176.033 175.510 -0.181 0.000 1.033 306 N CA -0.294 52.672 53.050 -0.140 0.000 0.944 306 N CB 1.803 40.251 38.487 -0.064 0.000 1.113 306 N HN 0.564 nan 8.380 nan 0.000 0.502 307 V N 1.152 120.939 119.914 -0.211 0.000 3.461 307 V HA 0.109 4.230 4.120 0.001 0.000 0.267 307 V C 1.307 177.378 176.094 -0.038 0.000 1.186 307 V CA 0.973 63.130 62.300 -0.238 0.000 1.154 307 V CB -0.450 31.172 31.823 -0.336 0.000 0.802 307 V HN 0.532 nan 8.190 nan 0.000 0.474 308 E N 1.736 121.921 120.200 -0.024 0.000 2.102 308 E HA -0.049 4.302 4.350 0.001 0.000 0.190 308 E C 2.241 178.847 176.600 0.010 0.000 0.971 308 E CA 1.398 57.803 56.400 0.008 0.000 0.821 308 E CB -0.052 29.652 29.700 0.006 0.000 0.777 308 E HN 0.817 nan 8.360 nan 0.000 0.460 309 T N -1.829 112.723 114.554 -0.003 0.000 3.081 309 T HA 0.011 4.362 4.350 0.001 0.000 0.250 309 T C 0.175 174.879 174.700 0.005 0.000 1.100 309 T CA 0.039 62.142 62.100 0.005 0.000 1.038 309 T CB 0.100 68.972 68.868 0.005 0.000 0.962 309 T HN -0.123 nan 8.240 nan 0.000 0.516 310 D N 2.444 122.838 120.400 -0.009 0.000 2.689 310 D HA -0.118 4.523 4.640 0.001 0.000 0.237 310 D C -0.036 176.252 176.300 -0.020 0.000 1.148 310 D CA 1.472 55.471 54.000 -0.002 0.000 0.656 310 D CB -1.698 39.135 40.800 0.055 0.000 1.050 310 D HN 0.812 nan 8.370 nan 0.000 0.426 311 T N -2.948 111.581 114.554 -0.042 0.000 2.912 311 T HA 0.835 5.186 4.350 0.001 0.000 0.288 311 T C -0.202 174.465 174.700 -0.056 0.000 1.030 311 T CA -0.417 61.672 62.100 -0.019 0.000 1.020 311 T CB 2.879 71.754 68.868 0.012 0.000 1.056 311 T HN 0.338 nan 8.240 nan 0.000 0.480 312 A N 1.372 124.179 122.820 -0.021 0.000 2.449 312 A HA 0.801 5.122 4.320 0.001 0.000 0.302 312 A C -0.822 176.809 177.584 0.078 0.000 1.048 312 A CA -0.828 51.190 52.037 -0.032 0.000 0.708 312 A CB 1.719 20.628 19.000 -0.152 0.000 1.274 312 A HN 0.970 nan 8.150 nan 0.000 0.410 313 E N 1.235 121.530 120.200 0.158 0.000 2.293 313 E HA 0.722 5.073 4.350 0.001 0.000 0.270 313 E C -1.656 175.133 176.600 0.315 0.000 0.879 313 E CA -0.540 55.993 56.400 0.222 0.000 0.756 313 E CB 1.638 31.534 29.700 0.326 0.000 1.208 313 E HN 0.598 nan 8.360 nan 0.000 0.428 314 I N 3.283 123.927 120.570 0.123 0.000 2.533 314 I HA 0.539 4.710 4.170 0.001 0.000 0.290 314 I C -0.344 175.655 176.117 -0.197 0.000 1.056 314 I CA -0.729 60.654 61.300 0.138 0.000 1.057 314 I CB 1.924 40.011 38.000 0.145 0.000 1.240 314 I HN 0.374 nan 8.210 nan 0.000 0.423 315 R N 4.865 125.180 120.500 -0.307 0.000 2.774 315 R HA 0.623 4.964 4.340 0.001 0.000 0.272 315 R C -1.243 175.009 176.300 -0.081 0.000 1.000 315 R CA -1.125 54.662 56.100 -0.522 0.000 0.906 315 R CB 2.557 32.068 30.300 -1.315 0.000 1.227 315 R HN 0.456 nan 8.270 nan 0.000 0.468 316 L N 2.436 123.629 121.223 -0.051 0.000 2.485 316 L HA 0.170 4.511 4.340 0.001 0.000 0.275 316 L C 0.607 177.560 176.870 0.138 0.000 1.207 316 L CA 0.323 55.202 54.840 0.064 0.000 0.855 316 L CB 0.231 42.292 42.059 0.005 0.000 1.114 316 L HN 0.442 nan 8.230 nan 0.000 0.485 317 M N 2.336 122.029 119.600 0.155 0.000 2.269 317 M HA -0.065 4.416 4.480 0.001 0.000 0.350 317 M C 1.000 177.315 176.300 0.024 0.000 1.429 317 M CA 0.095 55.429 55.300 0.056 0.000 1.063 317 M CB 0.642 33.229 32.600 -0.022 0.000 1.841 317 M HN 0.778 nan 8.290 nan 0.000 0.455 318 c N 2.640 121.240 118.600 -0.001 0.000 2.514 318 c HA 0.005 4.575 4.570 0.001 0.000 0.271 318 c C 1.623 175.709 174.090 -0.007 0.000 1.399 318 c CA 0.367 56.702 56.329 0.010 0.000 1.765 318 c CB -0.540 41.975 42.510 0.008 0.000 1.893 318 c HN 0.889 nan 8.230 nan 0.000 0.531 319 T N 1.073 115.580 114.554 -0.078 0.000 2.937 319 T HA -0.021 4.330 4.350 0.001 0.000 0.316 319 T C 1.223 175.817 174.700 -0.177 0.000 1.079 319 T CA 0.637 62.650 62.100 -0.146 0.000 1.131 319 T CB 0.486 69.206 68.868 -0.247 0.000 1.000 319 T HN 0.767 nan 8.240 nan 0.000 0.549 320 E N 1.786 121.816 120.200 -0.283 0.000 2.482 320 E HA -0.003 4.348 4.350 0.001 0.000 0.196 320 E C 0.340 176.364 176.600 -0.960 0.000 1.047 320 E CA 0.312 56.378 56.400 -0.557 0.000 0.869 320 E CB -0.077 29.428 29.700 -0.324 0.000 0.836 320 E HN 0.485 nan 8.360 nan 0.000 0.520 321 T N 2.437 116.626 114.554 -0.609 0.000 3.688 321 T HA 0.110 4.461 4.350 0.001 0.000 0.307 321 T C -0.916 173.494 174.700 -0.484 0.000 1.382 321 T CA -0.487 61.284 62.100 -0.548 0.000 1.136 321 T CB -0.695 67.906 68.868 -0.445 0.000 1.207 321 T HN 0.085 nan 8.240 nan 0.000 0.854 322 Y N 1.407 121.586 120.300 -0.202 0.000 2.632 322 Y HA 0.092 4.643 4.550 0.001 0.000 0.329 322 Y C 1.272 177.050 175.900 -0.204 0.000 1.174 322 Y CA -1.160 56.833 58.100 -0.178 0.000 1.469 322 Y CB -0.008 38.380 38.460 -0.119 0.000 1.242 322 Y HN 0.451 nan 8.280 nan 0.000 0.540 323 L N 1.507 122.702 121.223 -0.047 0.000 2.592 323 L HA 0.105 4.446 4.340 0.001 0.000 0.227 323 L C 0.692 177.539 176.870 -0.038 0.000 1.127 323 L CA 0.179 54.956 54.840 -0.105 0.000 0.884 323 L CB -0.001 41.976 42.059 -0.137 0.000 1.065 323 L HN 0.604 nan 8.230 nan 0.000 0.457 324 D N -0.296 120.095 120.400 -0.014 0.000 2.466 324 D HA 0.346 4.987 4.640 0.001 0.000 0.262 324 D C -0.433 175.854 176.300 -0.021 0.000 1.177 324 D CA 0.172 54.160 54.000 -0.020 0.000 1.035 324 D CB 1.594 42.373 40.800 -0.035 0.000 1.105 324 D HN -0.215 nan 8.370 nan 0.000 0.551 325 T N 1.498 116.032 114.554 -0.033 0.000 3.237 325 T HA 0.394 4.745 4.350 0.001 0.000 0.319 325 T C -2.595 172.069 174.700 -0.060 0.000 1.037 325 T CA -0.905 61.169 62.100 -0.043 0.000 1.048 325 T CB 2.052 70.890 68.868 -0.050 0.000 1.081 325 T HN 0.137 nan 8.240 nan 0.000 0.455 326 P HA 0.467 nan 4.420 nan 0.000 0.272 326 P C -0.555 176.719 177.300 -0.043 0.000 1.240 326 P CA -0.564 62.505 63.100 -0.052 0.000 0.791 326 P CB 0.539 32.206 31.700 -0.055 0.000 0.978 327 R N 0.022 120.508 120.500 -0.023 0.000 2.663 327 R HA 0.622 4.963 4.340 0.001 0.000 0.267 327 R C -3.097 173.215 176.300 0.019 0.000 1.038 327 R CA -1.925 54.172 56.100 -0.004 0.000 0.886 327 R CB 0.767 31.094 30.300 0.046 0.000 1.249 327 R HN 0.168 nan 8.270 nan 0.000 0.463 328 P HA 0.158 nan 4.420 nan 0.000 0.293 328 P C -0.880 176.493 177.300 0.121 0.000 1.304 328 P CA -0.348 62.782 63.100 0.051 0.000 0.767 328 P CB 0.351 32.062 31.700 0.018 0.000 1.247 329 D N 0.090 120.543 120.400 0.090 0.000 2.423 329 D HA 0.037 4.678 4.640 0.001 0.000 0.238 329 D C -0.029 176.327 176.300 0.093 0.000 1.142 329 D CA 0.530 54.571 54.000 0.069 0.000 0.884 329 D CB -0.099 40.722 40.800 0.036 0.000 1.199 329 D HN 0.242 nan 8.370 nan 0.000 0.438 330 D N 0.090 120.464 120.400 -0.044 0.000 2.488 330 D HA 0.265 4.906 4.640 0.001 0.000 0.238 330 D C 1.592 177.782 176.300 -0.183 0.000 1.138 330 D CA 0.846 54.681 54.000 -0.274 0.000 0.873 330 D CB 0.703 41.336 40.800 -0.278 0.000 1.183 330 D HN 0.604 nan 8.370 nan 0.000 0.458 331 G N 1.650 110.271 108.800 -0.298 0.000 2.205 331 G HA2 -0.357 3.604 3.960 0.001 0.000 0.261 331 G HA3 -0.357 3.604 3.960 0.001 0.000 0.261 331 G C 1.002 175.968 174.900 0.110 0.000 0.980 331 G CA 0.817 45.882 45.100 -0.060 0.000 0.632 331 G HN 0.643 nan 8.290 nan 0.000 0.533 332 S N -0.498 115.315 115.700 0.187 0.000 2.593 332 S HA 0.463 4.933 4.470 0.001 0.000 0.217 332 S C 0.863 175.524 174.600 0.102 0.000 0.966 332 S CA 0.018 58.291 58.200 0.122 0.000 0.914 332 S CB -0.034 63.222 63.200 0.094 0.000 0.776 332 S HN 0.512 nan 8.310 nan 0.000 0.523 333 I N 3.899 124.555 120.570 0.144 0.000 2.301 333 I HA 0.185 4.355 4.170 0.001 0.000 0.292 333 I C 0.828 176.966 176.117 0.035 0.000 1.046 333 I CA -0.444 60.864 61.300 0.012 0.000 1.282 333 I CB 0.910 38.816 38.000 -0.157 0.000 1.409 333 I HN 0.229 nan 8.210 nan 0.000 0.484 334 T N 2.668 117.227 114.554 0.009 0.000 2.849 334 T HA 0.725 5.076 4.350 0.001 0.000 0.284 334 T C 0.513 175.211 174.700 -0.004 0.000 1.004 334 T CA 0.059 62.163 62.100 0.007 0.000 1.021 334 T CB 1.668 70.537 68.868 0.001 0.000 1.013 334 T HN 1.044 nan 8.240 nan 0.000 0.527 335 G N 1.469 110.267 108.800 -0.004 0.000 2.685 335 G HA2 0.127 4.088 3.960 0.001 0.000 0.387 335 G HA3 0.127 4.088 3.960 0.001 0.000 0.387 335 G C -2.770 172.126 174.900 -0.007 0.000 1.324 335 G CA -0.487 44.607 45.100 -0.010 0.000 0.878 335 G HN 0.899 nan 8.290 nan 0.000 0.527 336 P HA 0.446 nan 4.420 nan 0.000 0.312 336 P C 1.392 178.686 177.300 -0.011 0.000 1.308 336 P CA 0.171 63.265 63.100 -0.010 0.000 0.743 336 P CB 0.158 31.848 31.700 -0.016 0.000 1.364 337 c N -0.304 118.291 118.600 -0.009 0.000 2.403 337 c HA -0.099 4.471 4.570 0.001 0.000 0.279 337 c C 2.282 176.358 174.090 -0.024 0.000 1.269 337 c CA 1.197 57.523 56.329 -0.006 0.000 1.774 337 c CB -1.446 41.064 42.510 0.001 0.000 1.993 337 c HN 0.624 nan 8.230 nan 0.000 0.496 338 E N 1.006 121.181 120.200 -0.041 0.000 2.427 338 E HA 0.016 4.367 4.350 0.001 0.000 0.196 338 E C 0.641 177.206 176.600 -0.059 0.000 1.028 338 E CA 0.272 56.636 56.400 -0.060 0.000 0.864 338 E CB -0.404 29.250 29.700 -0.076 0.000 0.813 338 E HN 0.466 nan 8.360 nan 0.000 0.514 339 S N 2.350 118.020 115.700 -0.051 0.000 2.562 339 S HA 0.076 4.546 4.470 0.001 0.000 0.281 339 S C 0.978 175.532 174.600 -0.077 0.000 1.333 339 S CA -0.514 57.651 58.200 -0.059 0.000 1.052 339 S CB 0.786 63.956 63.200 -0.049 0.000 0.884 339 S HN 0.176 nan 8.310 nan 0.000 0.506 340 N N 2.385 121.040 118.700 -0.076 0.000 2.062 340 N HA -0.043 4.698 4.740 0.001 0.000 0.191 340 N C 1.787 177.218 175.510 -0.131 0.000 1.042 340 N CA 1.573 54.576 53.050 -0.078 0.000 0.845 340 N CB -0.557 37.908 38.487 -0.037 0.000 1.024 340 N HN 0.704 nan 8.380 nan 0.000 0.424 341 G N -0.329 108.388 108.800 -0.139 0.000 2.865 341 G HA2 0.060 4.021 3.960 0.001 0.000 0.204 341 G HA3 0.060 4.021 3.960 0.001 0.000 0.204 341 G C 0.068 174.924 174.900 -0.072 0.000 1.140 341 G CA -0.002 45.048 45.100 -0.084 0.000 0.842 341 G HN 0.119 nan 8.290 nan 0.000 0.631 342 D N -0.240 120.101 120.400 -0.098 0.000 2.299 342 D HA 0.422 5.063 4.640 0.001 0.000 0.243 342 D C -0.071 176.177 176.300 -0.087 0.000 0.982 342 D CA -0.499 53.456 54.000 -0.074 0.000 0.924 342 D CB 1.634 42.400 40.800 -0.057 0.000 1.238 342 D HN 0.083 nan 8.370 nan 0.000 0.484 343 K N -0.110 120.252 120.400 -0.063 0.000 3.016 343 K HA -0.187 4.133 4.320 0.001 0.000 0.262 343 K C 1.085 177.638 176.600 -0.080 0.000 1.043 343 K CA 0.554 56.803 56.287 -0.064 0.000 0.761 343 K CB -1.195 31.272 32.500 -0.056 0.000 1.230 343 K HN 0.615 nan 8.250 nan 0.000 0.485 344 G N 0.405 109.158 108.800 -0.079 0.000 2.572 344 G HA2 -0.088 3.873 3.960 0.001 0.000 0.216 344 G HA3 -0.088 3.873 3.960 0.001 0.000 0.216 344 G C 0.341 175.170 174.900 -0.118 0.000 1.133 344 G CA 0.508 45.554 45.100 -0.090 0.000 0.791 344 G HN 0.435 nan 8.290 nan 0.000 0.538 345 S N -0.145 115.487 115.700 -0.113 0.000 2.562 345 S HA 0.591 5.061 4.470 0.001 0.000 0.275 345 S C 0.436 174.965 174.600 -0.119 0.000 1.281 345 S CA 0.487 58.602 58.200 -0.142 0.000 1.045 345 S CB 1.135 64.260 63.200 -0.124 0.000 0.962 345 S HN 1.716 nan 8.310 nan 0.000 0.503 346 G N 1.571 110.293 108.800 -0.129 0.000 2.756 346 G HA2 0.442 4.403 3.960 0.001 0.000 0.678 346 G HA3 0.442 4.403 3.960 0.001 0.000 0.678 346 G C -0.050 174.789 174.900 -0.100 0.000 1.349 346 G CA -0.375 44.666 45.100 -0.098 0.000 0.847 346 G HN 2.295 nan 8.290 nan 0.000 0.548 347 G N -1.493 107.265 108.800 -0.069 0.000 2.322 347 G HA2 0.659 4.620 3.960 0.001 0.000 0.295 347 G HA3 0.659 4.620 3.960 0.001 0.000 0.295 347 G C -1.483 173.409 174.900 -0.012 0.000 1.369 347 G CA 0.183 45.249 45.100 -0.057 0.000 0.821 347 G HN 1.814 nan 8.290 nan 0.000 0.536 348 I N -0.391 120.172 120.570 -0.011 0.000 2.918 348 I HA 0.513 4.684 4.170 0.001 0.000 0.301 348 I C -0.426 175.620 176.117 -0.119 0.000 1.312 348 I CA -1.001 60.314 61.300 0.026 0.000 1.007 348 I CB 2.282 40.314 38.000 0.053 0.000 1.281 348 I HN 0.638 nan 8.210 nan 0.000 0.440 349 K N 3.578 123.721 120.400 -0.429 0.000 2.270 349 K HA 0.549 4.869 4.320 0.001 0.000 0.276 349 K C -0.446 176.087 176.600 -0.112 0.000 1.023 349 K CA -0.128 55.886 56.287 -0.454 0.000 0.955 349 K CB 1.100 33.002 32.500 -0.996 0.000 0.975 349 K HN 0.762 nan 8.250 nan 0.000 0.471 350 G N 1.664 110.465 108.800 0.003 0.000 2.566 350 G HA2 0.488 4.448 3.960 0.001 0.000 0.311 350 G HA3 0.488 4.448 3.960 0.001 0.000 0.311 350 G C -0.437 174.574 174.900 0.186 0.000 1.322 350 G CA -0.906 44.256 45.100 0.103 0.000 0.969 350 G HN 0.747 nan 8.290 nan 0.000 0.490 351 G N -0.473 108.449 108.800 0.203 0.000 2.491 351 G HA2 0.484 4.445 3.960 0.001 0.000 0.238 351 G HA3 0.484 4.445 3.960 0.001 0.000 0.238 351 G C -1.045 174.044 174.900 0.315 0.000 1.277 351 G CA 0.038 45.272 45.100 0.223 0.000 0.851 351 G HN 0.986 nan 8.290 nan 0.000 0.573 352 F N 1.569 121.550 119.950 0.052 0.000 2.656 352 F HA 0.505 5.033 4.527 0.001 0.000 0.326 352 F C -1.402 174.340 175.800 -0.097 0.000 1.109 352 F CA -1.087 56.858 58.000 -0.091 0.000 1.086 352 F CB 1.009 39.961 39.000 -0.080 0.000 1.324 352 F HN 0.664 nan 8.300 nan 0.000 0.511 353 V N 5.317 124.829 119.914 -0.670 0.000 3.120 353 V HA 0.551 4.672 4.120 0.001 0.000 0.303 353 V C -1.658 174.085 176.094 -0.585 0.000 1.238 353 V CA -0.535 61.419 62.300 -0.578 0.000 1.008 353 V CB 2.480 34.222 31.823 -0.135 0.000 1.064 353 V HN 0.868 nan 8.190 nan 0.000 0.434 354 H N 2.937 121.857 119.070 -0.250 0.000 2.463 354 H HA 0.561 5.118 4.556 0.001 0.000 0.332 354 H C -0.342 175.047 175.328 0.102 0.000 1.127 354 H CA -0.186 55.827 56.048 -0.059 0.000 1.238 354 H CB 1.453 31.180 29.762 -0.057 0.000 1.478 354 H HN 0.623 nan 8.280 nan 0.000 0.499 355 Q N 3.051 123.056 119.800 0.342 0.000 2.400 355 Q HA 0.292 4.633 4.340 0.001 0.000 0.255 355 Q C -0.792 175.366 176.000 0.262 0.000 1.008 355 Q CA -0.844 55.157 55.803 0.329 0.000 0.841 355 Q CB 0.448 29.512 28.738 0.545 0.000 1.220 355 Q HN 0.607 nan 8.270 nan 0.000 0.474 356 R N 3.829 124.440 120.500 0.186 0.000 2.198 356 R HA 0.385 4.726 4.340 0.001 0.000 0.339 356 R C -0.397 175.974 176.300 0.119 0.000 1.020 356 R CA 0.062 56.245 56.100 0.138 0.000 0.864 356 R CB 0.942 31.294 30.300 0.088 0.000 1.105 356 R HN 0.492 nan 8.270 nan 0.000 0.463 357 M N 0.729 120.404 119.600 0.125 0.000 2.706 357 M HA 0.347 4.828 4.480 0.001 0.000 0.304 357 M C 1.299 177.639 176.300 0.066 0.000 1.217 357 M CA -0.397 54.962 55.300 0.097 0.000 0.922 357 M CB 1.682 34.349 32.600 0.113 0.000 1.637 357 M HN 0.699 nan 8.290 nan 0.000 0.492 358 A N 0.095 122.943 122.820 0.047 0.000 1.884 358 A HA -0.135 4.186 4.320 0.001 0.000 0.219 358 A C 1.599 179.201 177.584 0.030 0.000 1.197 358 A CA 2.311 54.366 52.037 0.030 0.000 0.637 358 A CB -0.517 18.495 19.000 0.021 0.000 0.827 358 A HN 0.691 nan 8.150 nan 0.000 0.450 359 S N -1.311 114.409 115.700 0.033 0.000 2.835 359 S HA 0.377 4.848 4.470 0.001 0.000 0.248 359 S C -0.289 174.336 174.600 0.042 0.000 1.070 359 S CA -0.384 57.834 58.200 0.030 0.000 1.090 359 S CB -0.000 63.211 63.200 0.018 0.000 0.978 359 S HN 0.565 nan 8.310 nan 0.000 0.510 360 K N 1.163 121.603 120.400 0.066 0.000 2.578 360 K HA 0.495 4.816 4.320 0.001 0.000 0.269 360 K C -2.204 174.481 176.600 0.143 0.000 0.941 360 K CA -0.572 55.774 56.287 0.098 0.000 0.847 360 K CB 1.706 34.258 32.500 0.087 0.000 1.397 360 K HN 0.246 nan 8.250 nan 0.000 0.422 361 I N 1.863 122.539 120.570 0.176 0.000 2.499 361 I HA 0.521 4.692 4.170 0.001 0.000 0.288 361 I C -0.517 175.720 176.117 0.201 0.000 1.048 361 I CA -0.421 60.995 61.300 0.193 0.000 1.062 361 I CB 1.858 39.950 38.000 0.153 0.000 1.238 361 I HN 0.700 nan 8.210 nan 0.000 0.426 362 G N 6.509 115.412 108.800 0.173 0.000 2.367 362 G HA2 0.584 4.545 3.960 0.001 0.000 0.314 362 G HA3 0.584 4.545 3.960 0.001 0.000 0.314 362 G C -0.931 173.873 174.900 -0.161 0.000 1.130 362 G CA -0.669 44.291 45.100 -0.234 0.000 0.864 362 G HN 0.622 nan 8.290 nan 0.000 0.486 363 R N 0.977 121.267 120.500 -0.350 0.000 2.360 363 R HA 0.287 4.628 4.340 0.001 0.000 0.318 363 R C -1.419 174.613 176.300 -0.446 0.000 0.950 363 R CA -0.518 55.448 56.100 -0.223 0.000 0.837 363 R CB 1.866 32.179 30.300 0.022 0.000 1.165 363 R HN 0.545 nan 8.270 nan 0.000 0.458 364 W N 3.013 124.069 121.300 -0.407 0.000 2.520 364 W HA 0.421 5.082 4.660 0.001 0.000 0.323 364 W C -0.389 175.934 176.519 -0.328 0.000 1.062 364 W CA -0.209 56.927 57.345 -0.348 0.000 1.215 364 W CB 0.868 30.060 29.460 -0.448 0.000 1.340 364 W HN 0.444 nan 8.180 nan 0.000 0.516 365 Y N 0.929 121.364 120.300 0.225 0.000 2.581 365 Y HA 0.609 5.160 4.550 0.001 0.000 0.345 365 Y C 0.201 176.213 175.900 0.187 0.000 1.036 365 Y CA -1.332 56.890 58.100 0.204 0.000 1.042 365 Y CB 2.247 40.761 38.460 0.090 0.000 1.289 365 Y HN 0.305 nan 8.280 nan 0.000 0.471 366 S N 1.477 117.373 115.700 0.326 0.000 2.548 366 S HA 0.937 5.408 4.470 0.001 0.000 0.286 366 S C -1.125 173.588 174.600 0.188 0.000 1.098 366 S CA -1.020 57.334 58.200 0.255 0.000 0.930 366 S CB 2.593 65.886 63.200 0.155 0.000 1.070 366 S HN 0.868 nan 8.310 nan 0.000 0.480 367 R N -0.382 120.230 120.500 0.187 0.000 2.739 367 R HA 0.655 4.996 4.340 0.001 0.000 0.271 367 R C -0.531 175.838 176.300 0.116 0.000 1.010 367 R CA -0.725 55.431 56.100 0.094 0.000 0.897 367 R CB 0.560 30.837 30.300 -0.037 0.000 1.236 367 R HN 0.747 nan 8.270 nan 0.000 0.466 368 T N -0.202 114.394 114.554 0.071 0.000 2.908 368 T HA -0.002 4.349 4.350 0.001 0.000 0.325 368 T C 1.043 175.786 174.700 0.072 0.000 1.092 368 T CA -0.306 61.831 62.100 0.062 0.000 1.125 368 T CB 0.396 69.278 68.868 0.022 0.000 1.016 368 T HN 0.603 nan 8.240 nan 0.000 0.550 369 M N 1.474 121.113 119.600 0.065 0.000 2.200 369 M HA 0.150 4.631 4.480 0.001 0.000 0.265 369 M C 1.452 177.778 176.300 0.043 0.000 1.066 369 M CA 0.947 56.285 55.300 0.063 0.000 1.127 369 M CB -0.602 32.026 32.600 0.048 0.000 1.379 369 M HN 0.832 nan 8.290 nan 0.000 0.420 370 S N -0.130 115.586 115.700 0.027 0.000 2.562 370 S HA 0.166 4.637 4.470 0.001 0.000 0.275 370 S C 0.963 175.565 174.600 0.002 0.000 1.281 370 S CA -0.430 57.777 58.200 0.012 0.000 1.045 370 S CB 0.773 63.974 63.200 0.003 0.000 0.962 370 S HN 0.331 nan 8.310 nan 0.000 0.503 371 K N 2.374 122.775 120.400 0.002 0.000 2.296 371 K HA 0.014 4.335 4.320 0.001 0.000 0.200 371 K C 1.079 177.669 176.600 -0.016 0.000 1.048 371 K CA 1.057 57.343 56.287 -0.002 0.000 0.966 371 K CB 0.032 32.536 32.500 0.007 0.000 0.754 371 K HN 0.590 nan 8.250 nan 0.000 0.466 372 T N -0.135 114.404 114.554 -0.024 0.000 2.964 372 T HA 0.137 4.488 4.350 0.001 0.000 0.249 372 T C 0.217 174.881 174.700 -0.060 0.000 1.000 372 T CA 0.211 62.288 62.100 -0.038 0.000 0.992 372 T CB 0.644 69.495 68.868 -0.028 0.000 1.087 372 T HN -0.024 nan 8.240 nan 0.000 0.489 373 K N 1.141 121.506 120.400 -0.059 0.000 2.350 373 K HA 0.512 4.833 4.320 0.001 0.000 0.241 373 K C -0.571 175.957 176.600 -0.120 0.000 0.994 373 K CA -0.848 55.387 56.287 -0.086 0.000 0.839 373 K CB 1.953 34.426 32.500 -0.045 0.000 1.244 373 K HN -0.125 nan 8.250 nan 0.000 0.443 374 R N 1.719 122.089 120.500 -0.217 0.000 4.496 374 R HA 0.227 4.568 4.340 0.001 0.000 0.211 374 R C -0.443 175.823 176.300 -0.056 0.000 1.738 374 R CA 0.029 55.944 56.100 -0.308 0.000 1.528 374 R CB -0.031 29.683 30.300 -0.976 0.000 1.414 374 R HN 0.210 nan 8.270 nan 0.000 0.812 375 M N 0.507 120.112 119.600 0.009 0.000 2.327 375 M HA 0.408 4.889 4.480 0.001 0.000 0.298 375 M C 0.396 176.733 176.300 0.062 0.000 1.065 375 M CA -0.590 54.751 55.300 0.068 0.000 0.916 375 M CB 1.688 34.318 32.600 0.050 0.000 1.630 375 M HN 0.528 nan 8.290 nan 0.000 0.442 376 G N 2.689 111.536 108.800 0.077 0.000 2.814 376 G HA2 0.012 3.972 3.960 0.001 0.000 0.677 376 G HA3 0.012 3.972 3.960 0.001 0.000 0.677 376 G C -1.273 173.669 174.900 0.069 0.000 1.429 376 G CA -0.660 44.477 45.100 0.062 0.000 0.868 376 G HN 0.749 nan 8.290 nan 0.000 0.553 377 M N 0.703 120.331 119.600 0.047 0.000 2.265 377 M HA 0.617 5.098 4.480 0.001 0.000 0.262 377 M C 0.064 176.370 176.300 0.009 0.000 1.026 377 M CA 0.458 55.786 55.300 0.048 0.000 0.987 377 M CB 1.540 34.167 32.600 0.044 0.000 1.937 377 M HN 1.781 nan 8.290 nan 0.000 0.481 378 G N 3.196 112.042 108.800 0.077 0.000 2.389 378 G HA2 0.617 4.578 3.960 0.001 0.000 0.317 378 G HA3 0.617 4.578 3.960 0.001 0.000 0.317 378 G C -1.796 173.119 174.900 0.026 0.000 1.137 378 G CA -0.584 44.517 45.100 0.002 0.000 0.870 378 G HN 0.730 nan 8.290 nan 0.000 0.496 379 L N 1.343 122.473 121.223 -0.154 0.000 2.309 379 L HA 0.706 5.047 4.340 0.001 0.000 0.282 379 L C -1.201 175.561 176.870 -0.180 0.000 1.036 379 L CA -0.867 53.944 54.840 -0.048 0.000 0.806 379 L CB 0.776 42.785 42.059 -0.084 0.000 1.220 379 L HN 0.536 nan 8.230 nan 0.000 0.429 380 Y N 3.351 123.678 120.300 0.046 0.000 2.570 380 Y HA 0.775 5.326 4.550 0.001 0.000 0.345 380 Y C -0.571 175.272 175.900 -0.095 0.000 1.014 380 Y CA -0.938 57.156 58.100 -0.010 0.000 1.063 380 Y CB 2.286 40.739 38.460 -0.011 0.000 1.272 380 Y HN 0.415 nan 8.280 nan 0.000 0.477 381 V N 1.900 121.733 119.914 -0.135 0.000 3.012 381 V HA 0.695 4.816 4.120 0.001 0.000 0.307 381 V C -1.827 174.030 176.094 -0.396 0.000 1.166 381 V CA -0.762 61.190 62.300 -0.581 0.000 0.974 381 V CB 2.261 33.227 31.823 -1.429 0.000 1.040 381 V HN 0.796 nan 8.190 nan 0.000 0.428 382 K N 4.053 124.170 120.400 -0.472 0.000 2.535 382 K HA 0.578 4.899 4.320 0.001 0.000 0.251 382 K C -2.221 174.119 176.600 -0.433 0.000 0.942 382 K CA -0.505 55.601 56.287 -0.303 0.000 0.798 382 K CB 1.727 34.164 32.500 -0.105 0.000 1.267 382 K HN 0.642 nan 8.250 nan 0.000 0.434 383 Y N 3.450 123.687 120.300 -0.104 0.000 2.320 383 Y HA 0.246 4.797 4.550 0.001 0.000 0.334 383 Y C 0.470 176.354 175.900 -0.027 0.000 1.055 383 Y CA 0.250 58.314 58.100 -0.060 0.000 1.143 383 Y CB 0.933 39.360 38.460 -0.054 0.000 1.193 383 Y HN 0.806 nan 8.280 nan 0.000 0.477 384 D N 0.628 121.099 120.400 0.118 0.000 3.582 384 D HA -0.149 4.492 4.640 0.001 0.000 0.258 384 D C 0.594 176.905 176.300 0.019 0.000 1.930 384 D CA 1.688 55.730 54.000 0.070 0.000 1.144 384 D CB -0.765 40.078 40.800 0.073 0.000 0.858 384 D HN 1.078 nan 8.370 nan 0.000 1.045 385 G N -0.016 108.786 108.800 0.004 0.000 2.741 385 G HA2 0.081 4.042 3.960 0.001 0.000 0.222 385 G HA3 0.081 4.042 3.960 0.001 0.000 0.222 385 G C -1.052 173.811 174.900 -0.061 0.000 1.364 385 G CA 0.567 45.652 45.100 -0.025 0.000 0.866 385 G HN 0.862 nan 8.290 nan 0.000 0.555 386 D N -0.053 120.296 120.400 -0.085 0.000 2.505 386 D HA 0.607 5.248 4.640 0.001 0.000 0.250 386 D C -1.332 174.854 176.300 -0.190 0.000 1.164 386 D CA -2.083 51.829 54.000 -0.147 0.000 0.870 386 D CB 1.818 42.577 40.800 -0.069 0.000 1.160 386 D HN 0.010 nan 8.370 nan 0.000 0.549 387 P HA -0.019 nan 4.420 nan 0.000 0.225 387 P C 1.037 178.196 177.300 -0.236 0.000 1.148 387 P CA 0.514 63.343 63.100 -0.451 0.000 0.779 387 P CB 0.159 31.259 31.700 -1.000 0.000 0.780 388 W N 0.085 121.222 121.300 -0.272 0.000 2.467 388 W HA 0.033 4.694 4.660 0.001 0.000 0.275 388 W C 1.910 178.370 176.519 -0.098 0.000 1.239 388 W CA 1.905 59.161 57.345 -0.148 0.000 1.266 388 W CB -1.619 27.797 29.460 -0.072 0.000 1.112 388 W HN 0.142 nan 8.180 nan 0.000 0.576 389 T N -4.509 110.122 114.554 0.128 0.000 2.975 389 T HA 0.104 4.455 4.350 0.001 0.000 0.257 389 T C -0.160 174.546 174.700 0.010 0.000 1.003 389 T CA -0.169 61.970 62.100 0.064 0.000 0.932 389 T CB 0.034 68.943 68.868 0.068 0.000 1.087 389 T HN -0.337 nan 8.240 nan 0.000 0.512 390 D N 2.802 123.189 120.400 -0.023 0.000 2.338 390 D HA 0.328 4.969 4.640 0.001 0.000 0.255 390 D C 1.158 177.425 176.300 -0.055 0.000 1.237 390 D CA 0.116 54.089 54.000 -0.045 0.000 0.883 390 D CB 1.421 42.180 40.800 -0.069 0.000 1.087 390 D HN 0.396 nan 8.370 nan 0.000 0.485 391 S N 1.382 117.057 115.700 -0.042 0.000 2.558 391 S HA -0.008 4.463 4.470 0.001 0.000 0.217 391 S C 0.567 175.124 174.600 -0.071 0.000 0.975 391 S CA -0.467 57.704 58.200 -0.048 0.000 0.912 391 S CB 0.151 63.336 63.200 -0.025 0.000 0.776 391 S HN 0.281 nan 8.310 nan 0.000 0.526 392 D N 2.994 123.354 120.400 -0.067 0.000 2.478 392 D HA 0.341 4.982 4.640 0.001 0.000 0.234 392 D C 0.442 176.681 176.300 -0.103 0.000 1.154 392 D CA 0.622 54.579 54.000 -0.071 0.000 0.874 392 D CB 0.673 41.440 40.800 -0.054 0.000 1.198 392 D HN 0.484 nan 8.370 nan 0.000 0.455 393 A N 2.108 124.868 122.820 -0.099 0.000 2.462 393 A HA 0.184 4.505 4.320 0.001 0.000 0.243 393 A C -0.069 177.458 177.584 -0.095 0.000 1.076 393 A CA -0.438 51.528 52.037 -0.119 0.000 0.773 393 A CB 0.194 19.139 19.000 -0.093 0.000 1.010 393 A HN 0.393 nan 8.150 nan 0.000 0.493 394 L N 1.751 122.904 121.223 -0.116 0.000 2.410 394 L HA 0.339 4.680 4.340 0.001 0.000 0.273 394 L C 1.084 177.993 176.870 0.064 0.000 1.152 394 L CA 0.452 55.259 54.840 -0.055 0.000 0.855 394 L CB 0.381 42.369 42.059 -0.118 0.000 1.129 394 L HN 0.768 nan 8.230 nan 0.000 0.463 395 A N 4.441 127.276 122.820 0.026 0.000 2.484 395 A HA 0.243 4.564 4.320 0.001 0.000 0.268 395 A C -0.106 177.484 177.584 0.009 0.000 1.114 395 A CA -0.406 51.638 52.037 0.012 0.000 0.780 395 A CB -0.379 18.603 19.000 -0.030 0.000 1.061 395 A HN 0.620 nan 8.150 nan 0.000 0.505 396 L N 3.976 125.168 121.223 -0.050 0.000 2.500 396 L HA 0.195 4.536 4.340 0.001 0.000 0.272 396 L C 1.310 178.036 176.870 -0.240 0.000 1.149 396 L CA 1.220 55.847 54.840 -0.355 0.000 0.897 396 L CB 0.555 42.435 42.059 -0.297 0.000 1.178 396 L HN 0.727 nan 8.230 nan 0.000 0.473 397 S N 3.157 118.702 115.700 -0.259 0.000 2.468 397 S HA 0.509 4.980 4.470 0.001 0.000 0.226 397 S C 0.595 175.168 174.600 -0.045 0.000 1.051 397 S CA 0.425 58.587 58.200 -0.063 0.000 0.943 397 S CB -0.062 63.191 63.200 0.088 0.000 0.810 397 S HN 1.026 nan 8.310 nan 0.000 0.509 398 G N -0.147 108.577 108.800 -0.126 0.000 2.466 398 G HA2 0.440 4.401 3.960 0.001 0.000 0.291 398 G HA3 0.440 4.401 3.960 0.001 0.000 0.291 398 G C -1.866 172.959 174.900 -0.126 0.000 1.460 398 G CA -0.502 44.549 45.100 -0.081 0.000 0.791 398 G HN 0.220 nan 8.290 nan 0.000 0.505 399 V N 1.808 121.681 119.914 -0.068 0.000 2.385 399 V HA 0.262 4.383 4.120 0.001 0.000 0.269 399 V C 1.159 177.204 176.094 -0.081 0.000 1.043 399 V CA -0.039 62.221 62.300 -0.066 0.000 0.906 399 V CB 1.028 32.840 31.823 -0.019 0.000 0.995 399 V HN 0.786 nan 8.190 nan 0.000 0.467 400 M N 4.018 123.503 119.600 -0.192 0.000 2.394 400 M HA 0.158 4.639 4.480 0.001 0.000 0.266 400 M C -0.084 176.168 176.300 -0.080 0.000 1.098 400 M CA 1.062 56.145 55.300 -0.362 0.000 1.149 400 M CB 0.532 32.654 32.600 -0.797 0.000 1.369 400 M HN 0.450 nan 8.290 nan 0.000 0.450 401 V N 0.687 120.578 119.914 -0.038 0.000 2.612 401 V HA 0.221 4.342 4.120 0.001 0.000 0.301 401 V C -0.097 176.007 176.094 0.017 0.000 1.059 401 V CA -1.149 61.162 62.300 0.018 0.000 0.886 401 V CB 1.704 33.555 31.823 0.046 0.000 1.007 401 V HN 0.358 nan 8.190 nan 0.000 0.426 402 S N 4.419 120.127 115.700 0.013 0.000 2.589 402 S HA 0.232 4.703 4.470 0.001 0.000 0.265 402 S C 1.147 175.762 174.600 0.025 0.000 1.342 402 S CA -0.074 58.135 58.200 0.014 0.000 1.005 402 S CB 0.692 63.895 63.200 0.005 0.000 0.909 402 S HN 0.798 nan 8.310 nan 0.000 0.555 403 M N 0.629 120.245 119.600 0.025 0.000 2.435 403 M HA -0.053 4.427 4.480 0.001 0.000 0.262 403 M C 1.206 177.525 176.300 0.031 0.000 1.065 403 M CA 1.621 56.939 55.300 0.030 0.000 1.076 403 M CB -0.718 31.897 32.600 0.025 0.000 1.403 403 M HN 0.824 nan 8.290 nan 0.000 0.454 404 E N 0.043 120.259 120.200 0.026 0.000 2.442 404 E HA 0.068 4.419 4.350 0.001 0.000 0.195 404 E C -0.003 176.616 176.600 0.032 0.000 1.030 404 E CA 0.355 56.770 56.400 0.025 0.000 0.869 404 E CB 0.167 29.877 29.700 0.015 0.000 0.857 404 E HN 0.466 nan 8.360 nan 0.000 0.505 405 E N 0.782 121.006 120.200 0.039 0.000 2.235 405 E HA 0.288 4.639 4.350 0.001 0.000 0.265 405 E C -2.439 174.212 176.600 0.085 0.000 0.940 405 E CA -2.443 53.986 56.400 0.048 0.000 0.819 405 E CB 1.248 30.968 29.700 0.035 0.000 1.206 405 E HN -0.074 nan 8.360 nan 0.000 0.409 406 P HA 0.214 nan 4.420 nan 0.000 0.279 406 P C -0.484 176.972 177.300 0.261 0.000 1.239 406 P CA -0.405 62.824 63.100 0.215 0.000 0.789 406 P CB 0.792 32.575 31.700 0.139 0.000 0.933 407 G N 2.109 111.140 108.800 0.384 0.000 3.003 407 G HA2 0.421 4.382 3.960 0.001 0.000 0.293 407 G HA3 0.421 4.382 3.960 0.001 0.000 0.293 407 G C -1.075 174.064 174.900 0.397 0.000 1.553 407 G CA -0.382 44.907 45.100 0.316 0.000 1.078 407 G HN 0.340 nan 8.290 nan 0.000 0.550 408 W N 0.813 122.177 121.300 0.106 0.000 2.314 408 W HA 0.534 5.195 4.660 0.001 0.000 0.643 408 W C 0.262 176.971 176.519 0.317 0.000 1.665 408 W CA -0.928 56.514 57.345 0.162 0.000 0.936 408 W CB -0.534 28.965 29.460 0.065 0.000 3.410 408 W HN 0.313 nan 8.180 nan 0.000 0.727 409 Y N 1.770 122.320 120.300 0.418 0.000 2.788 409 Y HA 0.221 4.772 4.550 0.001 0.000 0.341 409 Y C 0.796 176.896 175.900 0.333 0.000 1.258 409 Y CA -0.503 57.798 58.100 0.336 0.000 1.503 409 Y CB -0.460 38.218 38.460 0.363 0.000 1.325 409 Y HN 0.045 nan 8.280 nan 0.000 0.614 410 S N 3.000 118.946 115.700 0.409 0.000 2.569 410 S HA 0.903 5.374 4.470 0.001 0.000 0.280 410 S C -1.189 173.607 174.600 0.327 0.000 1.111 410 S CA -0.915 57.448 58.200 0.273 0.000 0.887 410 S CB 2.228 65.521 63.200 0.154 0.000 1.095 410 S HN 0.511 nan 8.310 nan 0.000 0.476 411 F N -1.531 118.587 119.950 0.281 0.000 2.686 411 F HA 0.943 5.470 4.527 0.001 0.000 0.311 411 F C -0.182 175.807 175.800 0.315 0.000 1.128 411 F CA -0.943 57.222 58.000 0.275 0.000 0.946 411 F CB 0.919 40.101 39.000 0.304 0.000 1.336 411 F HN 0.895 nan 8.300 nan 0.000 0.457 412 G N 0.423 109.515 108.800 0.487 0.000 2.454 412 G HA2 0.762 4.723 3.960 0.001 0.000 0.329 412 G HA3 0.762 4.723 3.960 0.001 0.000 0.329 412 G C -1.828 173.425 174.900 0.589 0.000 1.177 412 G CA -0.921 44.395 45.100 0.359 0.000 0.951 412 G HN 1.179 nan 8.290 nan 0.000 0.485 413 F N -1.702 118.400 119.950 0.253 0.000 2.817 413 F HA 0.755 5.283 4.527 0.001 0.000 0.317 413 F C -1.123 174.769 175.800 0.155 0.000 1.168 413 F CA -1.343 56.803 58.000 0.243 0.000 0.911 413 F CB 1.412 40.618 39.000 0.344 0.000 1.337 413 F HN 0.437 nan 8.300 nan 0.000 0.464 414 E N 1.918 122.274 120.200 0.260 0.000 2.256 414 E HA 0.555 4.906 4.350 0.001 0.000 0.268 414 E C -1.236 175.489 176.600 0.208 0.000 0.877 414 E CA -0.818 55.630 56.400 0.079 0.000 0.757 414 E CB 3.143 32.903 29.700 0.100 0.000 1.183 414 E HN 0.535 nan 8.360 nan 0.000 0.418 415 I N 1.994 122.627 120.570 0.105 0.000 2.440 415 I HA 0.243 4.414 4.170 0.001 0.000 0.294 415 I C 0.005 176.162 176.117 0.065 0.000 0.995 415 I CA -0.882 60.499 61.300 0.134 0.000 1.306 415 I CB 0.718 38.782 38.000 0.106 0.000 1.407 415 I HN 0.120 nan 8.210 nan 0.000 0.501 416 K N 4.085 124.524 120.400 0.064 0.000 2.300 416 K HA 0.222 4.542 4.320 0.001 0.000 0.264 416 K C -0.448 176.163 176.600 0.019 0.000 1.083 416 K CA -0.386 55.922 56.287 0.035 0.000 0.958 416 K CB -0.039 32.477 32.500 0.027 0.000 1.318 416 K HN 0.373 nan 8.250 nan 0.000 0.448 417 D N 1.310 121.716 120.400 0.009 0.000 2.372 417 D HA 0.047 4.687 4.640 0.001 0.000 0.243 417 D C 0.934 177.236 176.300 0.003 0.000 1.297 417 D CA 0.096 54.097 54.000 0.002 0.000 0.958 417 D CB 0.937 41.733 40.800 -0.007 0.000 1.114 417 D HN 0.236 nan 8.370 nan 0.000 0.496 418 K N -0.317 120.084 120.400 0.001 0.000 2.074 418 K HA -0.139 4.182 4.320 0.001 0.000 0.209 418 K C 1.030 177.631 176.600 0.003 0.000 1.048 418 K CA 1.474 57.762 56.287 0.001 0.000 0.926 418 K CB 0.092 32.592 32.500 -0.001 0.000 0.713 418 K HN 0.317 nan 8.250 nan 0.000 0.444 419 K N -1.181 119.221 120.400 0.002 0.000 2.517 419 K HA 0.125 4.446 4.320 0.001 0.000 0.210 419 K C -0.312 176.291 176.600 0.004 0.000 1.166 419 K CA -0.104 56.184 56.287 0.003 0.000 1.030 419 K CB 1.133 33.634 32.500 0.000 0.000 0.974 419 K HN 0.230 nan 8.250 nan 0.000 0.585 420 c N -1.172 117.431 118.600 0.005 0.000 3.318 420 c HA 0.571 5.141 4.570 0.001 0.000 0.322 420 c C -1.705 172.389 174.090 0.007 0.000 1.398 420 c CA -1.259 55.074 56.329 0.007 0.000 1.339 420 c CB 1.488 44.001 42.510 0.006 0.000 1.668 420 c HN 0.019 nan 8.230 nan 0.000 0.462 421 D N 0.749 121.155 120.400 0.010 0.000 2.185 421 D HA 0.585 5.226 4.640 0.001 0.000 0.247 421 D C -0.678 175.611 176.300 -0.018 0.000 1.027 421 D CA -0.180 53.826 54.000 0.010 0.000 0.861 421 D CB 2.057 42.875 40.800 0.030 0.000 1.202 421 D HN 0.526 nan 8.370 nan 0.000 0.453 422 V N 4.356 124.240 119.914 -0.049 0.000 2.311 422 V HA 0.288 4.409 4.120 0.001 0.000 0.275 422 V C -2.140 173.828 176.094 -0.210 0.000 1.022 422 V CA -1.588 60.635 62.300 -0.129 0.000 0.830 422 V CB 1.340 33.077 31.823 -0.143 0.000 1.012 422 V HN 0.382 nan 8.190 nan 0.000 0.452 423 P HA 0.289 nan 4.420 nan 0.000 0.271 423 P C -0.709 176.256 177.300 -0.558 0.000 1.216 423 P CA -0.078 62.857 63.100 -0.274 0.000 0.771 423 P CB 0.929 32.564 31.700 -0.109 0.000 0.864 424 c N 3.703 121.944 118.600 -0.598 0.000 2.994 424 c HA 0.588 5.159 4.570 0.001 0.000 0.305 424 c C -0.232 173.626 174.090 -0.385 0.000 1.251 424 c CA -0.565 55.336 56.329 -0.713 0.000 1.478 424 c CB 1.780 43.538 42.510 -1.252 0.000 1.922 424 c HN 0.450 nan 8.230 nan 0.000 0.472 425 I N 2.189 122.739 120.570 -0.033 0.000 2.436 425 I HA 0.523 4.694 4.170 0.001 0.000 0.289 425 I C 0.530 176.655 176.117 0.013 0.000 1.010 425 I CA 0.365 61.690 61.300 0.041 0.000 1.098 425 I CB 1.294 39.372 38.000 0.130 0.000 1.266 425 I HN 0.907 nan 8.210 nan 0.000 0.434 426 G N 6.468 115.048 108.800 -0.368 0.000 2.410 426 G HA2 0.793 4.754 3.960 0.001 0.000 0.330 426 G HA3 0.793 4.754 3.960 0.001 0.000 0.330 426 G C -0.869 173.688 174.900 -0.572 0.000 1.142 426 G CA -0.432 44.309 45.100 -0.600 0.000 0.902 426 G HN 0.480 nan 8.290 nan 0.000 0.491 427 I N 0.461 120.988 120.570 -0.072 0.000 2.478 427 I HA 0.226 4.397 4.170 0.001 0.000 0.287 427 I C -0.031 176.233 176.117 0.245 0.000 1.042 427 I CA -0.612 60.754 61.300 0.109 0.000 1.067 427 I CB 2.450 40.527 38.000 0.129 0.000 1.233 427 I HN 0.534 nan 8.210 nan 0.000 0.431 428 E N 7.464 127.873 120.200 0.349 0.000 2.324 428 E HA 0.266 4.617 4.350 0.001 0.000 0.271 428 E C -0.955 175.746 176.600 0.168 0.000 1.028 428 E CA -0.180 56.398 56.400 0.296 0.000 0.890 428 E CB 0.716 30.631 29.700 0.358 0.000 1.004 428 E HN 0.527 nan 8.360 nan 0.000 0.431 429 M N 5.252 124.862 119.600 0.016 0.000 2.158 429 M HA 0.217 4.698 4.480 0.001 0.000 0.326 429 M C -0.981 175.041 176.300 -0.463 0.000 1.014 429 M CA -0.738 54.495 55.300 -0.111 0.000 0.961 429 M CB 1.487 34.054 32.600 -0.056 0.000 1.327 429 M HN 0.213 nan 8.290 nan 0.000 0.393 430 V N 3.121 122.603 119.914 -0.720 0.000 2.555 430 V HA 0.067 4.187 4.120 0.001 0.000 0.286 430 V C 0.466 175.994 176.094 -0.944 0.000 1.044 430 V CA -0.269 61.372 62.300 -1.098 0.000 1.026 430 V CB 0.333 30.956 31.823 -2.001 0.000 0.981 430 V HN 0.577 nan 8.190 nan 0.000 0.480 431 H N 3.340 122.064 119.070 -0.577 0.000 2.911 431 H HA 0.291 4.848 4.556 0.001 0.000 0.273 431 H C -0.630 174.288 175.328 -0.683 0.000 1.157 431 H CA -0.491 55.244 56.048 -0.521 0.000 1.402 431 H CB 0.759 30.230 29.762 -0.485 0.000 1.463 431 H HN 0.590 nan 8.280 nan 0.000 0.475 432 D N 2.190 122.358 120.400 -0.387 0.000 2.381 432 D HA 0.265 4.906 4.640 0.001 0.000 0.235 432 D C 0.658 176.873 176.300 -0.141 0.000 1.068 432 D CA -0.661 53.215 54.000 -0.208 0.000 0.832 432 D CB 1.066 41.885 40.800 0.031 0.000 1.101 432 D HN 0.722 nan 8.370 nan 0.000 0.515 433 G N 2.172 110.866 108.800 -0.177 0.000 4.379 433 G HA2 0.545 4.506 3.960 0.001 0.000 0.290 433 G HA3 0.545 4.506 3.960 0.001 0.000 0.290 433 G C 0.624 175.459 174.900 -0.108 0.000 1.065 433 G CA 0.069 45.065 45.100 -0.174 0.000 0.833 433 G HN 0.872 nan 8.290 nan 0.000 0.512 434 G N 1.095 109.868 108.800 -0.045 0.000 2.760 434 G HA2 -0.199 3.762 3.960 0.001 0.000 0.246 434 G HA3 -0.199 3.762 3.960 0.001 0.000 0.246 434 G C 0.803 175.660 174.900 -0.072 0.000 1.359 434 G CA 0.056 45.129 45.100 -0.045 0.000 0.861 434 G HN 0.898 nan 8.290 nan 0.000 0.541 435 K N -0.492 119.871 120.400 -0.062 0.000 2.486 435 K HA 0.179 4.499 4.320 0.001 0.000 0.194 435 K C 1.190 177.777 176.600 -0.022 0.000 1.033 435 K CA 1.555 57.806 56.287 -0.059 0.000 1.004 435 K CB 0.269 32.739 32.500 -0.051 0.000 0.798 435 K HN 0.348 nan 8.250 nan 0.000 0.495 436 E N 0.985 121.173 120.200 -0.020 0.000 2.489 436 E HA 0.037 4.388 4.350 0.001 0.000 0.193 436 E C 0.207 176.827 176.600 0.034 0.000 1.057 436 E CA 0.356 56.762 56.400 0.010 0.000 0.866 436 E CB 0.755 30.458 29.700 0.004 0.000 0.916 436 E HN 0.328 nan 8.360 nan 0.000 0.500 437 T N -0.821 113.722 114.554 -0.019 0.000 2.654 437 T HA 0.340 4.690 4.350 0.001 0.000 0.289 437 T C -1.138 173.461 174.700 -0.168 0.000 1.062 437 T CA -0.981 61.086 62.100 -0.055 0.000 1.041 437 T CB 0.590 69.343 68.868 -0.191 0.000 1.417 437 T HN 0.169 nan 8.240 nan 0.000 0.510 438 W N 1.598 122.600 121.300 -0.496 0.000 2.112 438 W HA 0.441 5.102 4.660 0.001 0.000 0.349 438 W C -0.484 175.895 176.519 -0.233 0.000 1.289 438 W CA -0.387 56.621 57.345 -0.563 0.000 1.256 438 W CB -0.301 28.519 29.460 -1.068 0.000 1.148 438 W HN 0.633 nan 8.180 nan 0.000 0.590 439 H N 1.320 120.394 119.070 0.006 0.000 3.013 439 H HA 0.331 4.887 4.556 0.001 0.000 0.326 439 H C -1.195 174.168 175.328 0.059 0.000 0.973 439 H CA 0.033 56.020 56.048 -0.102 0.000 1.369 439 H CB 1.979 31.660 29.762 -0.135 0.000 1.598 439 H HN 0.529 nan 8.280 nan 0.000 0.518 440 S N 2.817 118.441 115.700 -0.127 0.000 2.929 440 S HA 0.886 5.357 4.470 0.001 0.000 0.311 440 S C -1.661 172.879 174.600 -0.101 0.000 1.213 440 S CA 0.085 58.290 58.200 0.009 0.000 0.908 440 S CB 1.673 64.951 63.200 0.130 0.000 1.287 440 S HN 0.812 nan 8.310 nan 0.000 0.594 441 A N 0.105 122.980 122.820 0.092 0.000 2.574 441 A HA 0.863 5.183 4.320 0.001 0.000 0.297 441 A C -0.477 177.187 177.584 0.134 0.000 1.062 441 A CA -0.045 51.924 52.037 -0.113 0.000 0.686 441 A CB 0.908 19.822 19.000 -0.144 0.000 1.285 441 A HN 1.377 nan 8.150 nan 0.000 0.403 442 A N 0.337 123.154 122.820 -0.005 0.000 2.246 442 A HA 0.876 5.197 4.320 0.001 0.000 0.291 442 A C 0.121 177.790 177.584 0.143 0.000 1.103 442 A CA -0.232 51.893 52.037 0.147 0.000 0.844 442 A CB 0.525 19.606 19.000 0.135 0.000 1.136 442 A HN 1.088 nan 8.150 nan 0.000 0.500 443 T N 0.657 115.318 114.554 0.177 0.000 2.949 443 T HA 0.600 4.951 4.350 0.001 0.000 0.300 443 T C -0.469 174.311 174.700 0.133 0.000 0.988 443 T CA 0.166 62.388 62.100 0.203 0.000 0.993 443 T CB 1.260 70.291 68.868 0.271 0.000 0.984 443 T HN 1.122 nan 8.240 nan 0.000 0.442 444 A N 3.505 126.417 122.820 0.153 0.000 2.305 444 A HA 0.868 5.189 4.320 0.001 0.000 0.322 444 A C -0.648 177.045 177.584 0.182 0.000 1.187 444 A CA -0.586 51.542 52.037 0.152 0.000 0.825 444 A CB 0.247 19.377 19.000 0.216 0.000 1.164 444 A HN 0.758 nan 8.150 nan 0.000 0.498 445 I N 1.755 122.394 120.570 0.114 0.000 2.436 445 I HA 0.361 4.532 4.170 0.001 0.000 0.289 445 I C -1.158 174.958 176.117 -0.000 0.000 1.010 445 I CA 0.039 61.425 61.300 0.144 0.000 1.098 445 I CB 1.424 39.515 38.000 0.153 0.000 1.266 445 I HN 0.601 nan 8.210 nan 0.000 0.434 446 Y N 4.456 124.780 120.300 0.041 0.000 2.364 446 Y HA 0.649 5.200 4.550 0.001 0.000 0.340 446 Y C -0.146 175.636 175.900 -0.196 0.000 0.975 446 Y CA -0.408 57.699 58.100 0.013 0.000 1.089 446 Y CB 1.782 40.330 38.460 0.147 0.000 1.192 446 Y HN 0.501 nan 8.280 nan 0.000 0.454 447 c N 3.106 121.515 118.600 -0.317 0.000 2.889 447 c HA 0.460 5.031 4.570 0.001 0.000 0.307 447 c C -0.463 172.991 174.090 -1.061 0.000 1.251 447 c CA -1.241 54.611 56.329 -0.794 0.000 1.593 447 c CB 1.630 43.847 42.510 -0.488 0.000 2.104 447 c HN 0.759 nan 8.230 nan 0.000 0.476 448 L N 3.837 124.195 121.223 -1.443 0.000 2.477 448 L HA 0.509 4.850 4.340 0.001 0.000 0.272 448 L C -0.088 176.534 176.870 -0.414 0.000 1.157 448 L CA 1.017 55.300 54.840 -0.929 0.000 0.889 448 L CB -0.094 41.557 42.059 -0.680 0.000 1.158 448 L HN 0.808 nan 8.230 nan 0.000 0.473 449 M N 4.898 124.364 119.600 -0.223 0.000 2.265 449 M HA 0.673 5.154 4.480 0.001 0.000 0.262 449 M C 0.033 176.310 176.300 -0.038 0.000 1.026 449 M CA -0.078 55.151 55.300 -0.118 0.000 0.987 449 M CB 1.186 33.712 32.600 -0.124 0.000 1.937 449 M HN 0.817 nan 8.290 nan 0.000 0.481 450 G N 2.895 111.686 108.800 -0.016 0.000 2.645 450 G HA2 -0.130 3.831 3.960 0.001 0.000 0.239 450 G HA3 -0.130 3.831 3.960 0.001 0.000 0.239 450 G C -0.551 174.375 174.900 0.044 0.000 1.331 450 G CA -0.044 45.063 45.100 0.011 0.000 0.890 450 G HN 1.761 nan 8.290 nan 0.000 0.572 451 S N -0.961 114.768 115.700 0.047 0.000 2.689 451 S HA 1.060 5.531 4.470 0.001 0.000 0.306 451 S C 0.731 175.373 174.600 0.070 0.000 1.104 451 S CA 0.685 58.926 58.200 0.069 0.000 0.973 451 S CB 1.847 65.079 63.200 0.052 0.000 1.121 451 S HN 3.020 nan 8.310 nan 0.000 0.523 452 G N 0.330 109.180 108.800 0.084 0.000 2.358 452 G HA2 0.186 4.147 3.960 0.001 0.000 0.198 452 G HA3 0.186 4.147 3.960 0.001 0.000 0.198 452 G C -1.740 173.221 174.900 0.101 0.000 1.220 452 G CA -0.183 44.962 45.100 0.075 0.000 1.187 452 G HN 1.177 nan 8.290 nan 0.000 0.544 453 Q N -0.160 119.694 119.800 0.091 0.000 2.399 453 Q HA 0.702 5.043 4.340 0.001 0.000 0.276 453 Q C -0.205 175.867 176.000 0.120 0.000 1.098 453 Q CA -1.036 54.832 55.803 0.109 0.000 0.827 453 Q CB 2.546 31.333 28.738 0.081 0.000 1.386 453 Q HN 1.239 nan 8.270 nan 0.000 0.443 454 L N 1.983 123.294 121.223 0.147 0.000 2.513 454 L HA -0.089 4.252 4.340 0.001 0.000 0.272 454 L C 0.070 177.037 176.870 0.161 0.000 1.187 454 L CA -0.154 54.792 54.840 0.176 0.000 0.895 454 L CB 0.297 42.467 42.059 0.185 0.000 1.147 454 L HN 0.604 nan 8.230 nan 0.000 0.483 455 L N 5.175 126.507 121.223 0.181 0.000 2.316 455 L HA 0.208 4.549 4.340 0.001 0.000 0.207 455 L C -0.061 176.996 176.870 0.311 0.000 1.070 455 L CA 0.878 55.815 54.840 0.161 0.000 0.820 455 L CB -0.454 41.635 42.059 0.050 0.000 0.992 455 L HN 0.626 nan 8.230 nan 0.000 0.466 456 W N 0.919 122.301 121.300 0.137 0.000 3.032 456 W HA 0.305 4.965 4.660 0.001 0.000 0.335 456 W C -0.361 176.285 176.519 0.213 0.000 1.154 456 W CA -1.699 55.724 57.345 0.129 0.000 1.204 456 W CB 1.125 30.635 29.460 0.084 0.000 1.416 456 W HN 0.053 nan 8.180 nan 0.000 0.521 457 D N 0.595 121.092 120.400 0.162 0.000 2.466 457 D HA 0.524 5.165 4.640 0.001 0.000 0.262 457 D C -0.801 175.509 176.300 0.016 0.000 1.177 457 D CA -0.237 53.827 54.000 0.106 0.000 1.035 457 D CB 1.590 42.393 40.800 0.005 0.000 1.105 457 D HN 0.099 nan 8.370 nan 0.000 0.551 458 T N -0.177 114.424 114.554 0.079 0.000 2.841 458 T HA 0.474 4.825 4.350 0.001 0.000 0.283 458 T C -0.093 174.601 174.700 -0.011 0.000 1.000 458 T CA -0.773 61.348 62.100 0.034 0.000 0.977 458 T CB 1.503 70.471 68.868 0.167 0.000 0.979 458 T HN 0.475 nan 8.240 nan 0.000 0.446 459 V N 0.557 120.438 119.914 -0.055 0.000 2.815 459 V HA 0.702 4.823 4.120 0.001 0.000 0.314 459 V C 1.237 177.331 176.094 -0.000 0.000 1.064 459 V CA -0.452 61.828 62.300 -0.033 0.000 0.952 459 V CB 1.325 33.109 31.823 -0.065 0.000 1.020 459 V HN 0.956 nan 8.190 nan 0.000 0.439 460 T N -1.093 113.481 114.554 0.033 0.000 2.985 460 T HA 0.233 4.584 4.350 0.001 0.000 0.266 460 T C 1.690 176.419 174.700 0.048 0.000 1.076 460 T CA 1.515 63.662 62.100 0.079 0.000 1.135 460 T CB -0.302 68.682 68.868 0.192 0.000 0.890 460 T HN 2.513 nan 8.240 nan 0.000 0.480 461 G N 0.574 109.385 108.800 0.018 0.000 2.184 461 G HA2 -0.241 3.720 3.960 0.001 0.000 0.264 461 G HA3 -0.241 3.720 3.960 0.001 0.000 0.264 461 G C 0.127 175.022 174.900 -0.007 0.000 0.975 461 G CA 0.145 45.239 45.100 -0.011 0.000 0.642 461 G HN 0.777 nan 8.290 nan 0.000 0.536 462 V N 1.615 121.547 119.914 0.030 0.000 2.461 462 V HA 0.498 4.619 4.120 0.001 0.000 0.275 462 V C 0.037 176.139 176.094 0.014 0.000 1.047 462 V CA -0.343 61.959 62.300 0.003 0.000 0.955 462 V CB 1.768 33.551 31.823 -0.066 0.000 0.988 462 V HN 0.359 nan 8.190 nan 0.000 0.471 463 D N 4.711 125.116 120.400 0.008 0.000 2.329 463 D HA 0.301 4.942 4.640 0.001 0.000 0.232 463 D C 0.756 177.078 176.300 0.036 0.000 1.088 463 D CA -0.394 53.614 54.000 0.012 0.000 0.835 463 D CB 1.550 42.357 40.800 0.012 0.000 1.078 463 D HN 0.474 nan 8.370 nan 0.000 0.495 464 M N 2.635 122.230 119.600 -0.009 0.000 2.630 464 M HA -0.022 4.459 4.480 0.001 0.000 0.254 464 M C 1.660 177.984 176.300 0.039 0.000 1.092 464 M CA 0.388 55.668 55.300 -0.033 0.000 1.087 464 M CB 0.159 32.578 32.600 -0.301 0.000 1.453 464 M HN 0.483 nan 8.290 nan 0.000 0.509 465 A N 0.456 123.298 122.820 0.037 0.000 2.067 465 A HA 0.146 4.467 4.320 0.001 0.000 0.217 465 A C 1.248 178.887 177.584 0.091 0.000 1.156 465 A CA 0.432 52.500 52.037 0.052 0.000 0.683 465 A CB -0.147 18.868 19.000 0.025 0.000 0.808 465 A HN 0.347 nan 8.150 nan 0.000 0.455 466 L N 0.000 121.283 121.223 0.099 0.000 2.949 466 L HA 0.000 4.341 4.340 0.001 0.000 0.249 466 L CA 0.000 54.889 54.840 0.082 0.000 0.813 466 L CB 0.000 42.092 42.059 0.054 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502