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 1lbh_1_A DATA FIRST_RESID 62 DATA SEQUENCE LLIGVATSSL ALHAPSQIVA AIKSRADQLG ASVVVSMVER SGVEACKTAV DATA SEQUENCE HNLLAQRVSG LIINYPLDDQ DAIAVEAACT NVPALFLDVS DQTPINSIIF DATA SEQUENCE SHEDGTRLGV EHLVALGHQQ IALLAGPLSS VSARLRLAGW HKYLTRNQIQ DATA SEQUENCE PIAEREGDWS AMSGFQQTMQ MLNEGIVPTA MLVANDQMAL GAMRAITESG DATA SEQUENCE LRVGADISVV GYDDTEDSSC YIPPLTTIKQ DFRLLGQTSV DRLLQLSQGQ DATA SEQUENCE AVKGNQLLPV SLVKRKTTLA PNTQTASPRA LADSLMQLAR QVSRLE 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 62 L HA 0.000 nan 4.340 nan 0.000 0.249 62 L C 0.000 176.863 176.870 -0.011 0.000 1.165 62 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 62 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 63 L N 3.195 124.410 121.223 -0.014 0.000 2.376 63 L HA 0.678 5.001 4.340 -0.027 0.000 0.275 63 L C -1.255 175.603 176.870 -0.020 0.000 0.987 63 L CA -0.091 54.740 54.840 -0.016 0.000 0.828 63 L CB 1.548 43.597 42.059 -0.015 0.000 1.249 63 L HN 0.542 nan 8.230 nan 0.000 0.409 64 I N 4.193 124.751 120.570 -0.021 0.000 2.392 64 I HA 0.621 4.775 4.170 -0.027 0.000 0.295 64 I C 0.606 176.704 176.117 -0.031 0.000 0.985 64 I CA -0.400 60.883 61.300 -0.027 0.000 1.221 64 I CB 1.776 39.761 38.000 -0.025 0.000 1.366 64 I HN 0.771 nan 8.210 nan 0.000 0.467 65 G N 5.083 113.858 108.800 -0.041 0.000 2.452 65 G HA2 0.667 4.611 3.960 -0.027 0.000 0.324 65 G HA3 0.667 4.611 3.960 -0.027 0.000 0.324 65 G C -1.237 173.628 174.900 -0.057 0.000 1.214 65 G CA -0.378 44.695 45.100 -0.045 0.000 0.947 65 G HN 0.351 nan 8.290 nan 0.000 0.478 66 V N 0.773 120.655 119.914 -0.053 0.000 2.577 66 V HA 0.712 4.816 4.120 -0.027 0.000 0.303 66 V C 0.265 176.324 176.094 -0.059 0.000 1.042 66 V CA -1.028 61.237 62.300 -0.060 0.000 0.872 66 V CB 1.358 33.155 31.823 -0.044 0.000 0.998 66 V HN 1.121 nan 8.190 nan 0.000 0.423 67 A N 2.949 125.725 122.820 -0.073 0.000 2.274 67 A HA 0.813 5.117 4.320 -0.027 0.000 0.309 67 A C 0.031 177.595 177.584 -0.034 0.000 1.226 67 A CA -0.291 51.701 52.037 -0.075 0.000 0.853 67 A CB 1.162 20.099 19.000 -0.104 0.000 1.146 67 A HN 0.836 nan 8.150 nan 0.000 0.518 68 T N 1.374 115.917 114.554 -0.017 0.000 2.906 68 T HA 0.568 4.902 4.350 -0.027 0.000 0.295 68 T C 0.455 175.216 174.700 0.101 0.000 1.061 68 T CA -0.282 61.841 62.100 0.038 0.000 1.000 68 T CB 1.106 69.975 68.868 0.002 0.000 1.103 68 T HN 0.651 nan 8.240 nan 0.000 0.486 69 S N 1.379 117.171 115.700 0.153 0.000 2.634 69 S HA 0.282 4.735 4.470 -0.027 0.000 0.254 69 S C 0.357 175.000 174.600 0.071 0.000 1.299 69 S CA -0.445 57.860 58.200 0.176 0.000 0.974 69 S CB 0.494 63.727 63.200 0.054 0.000 1.001 69 S HN 0.803 nan 8.310 nan 0.000 0.584 70 S N 1.202 116.936 115.700 0.057 0.000 2.555 70 S HA 0.032 4.486 4.470 -0.027 0.000 0.293 70 S C 1.044 175.638 174.600 -0.010 0.000 1.248 70 S CA -0.585 57.630 58.200 0.025 0.000 1.096 70 S CB -0.347 62.870 63.200 0.029 0.000 0.881 70 S HN 0.513 nan 8.310 nan 0.000 0.498 71 L N 4.448 125.667 121.223 -0.005 0.000 2.642 71 L HA -0.004 4.320 4.340 -0.027 0.000 0.236 71 L C 1.881 178.748 176.870 -0.005 0.000 1.169 71 L CA 1.141 55.974 54.840 -0.013 0.000 0.851 71 L CB -1.700 40.356 42.059 -0.004 0.000 0.968 71 L HN 0.819 nan 8.230 nan 0.000 0.453 72 A N -1.458 121.355 122.820 -0.011 0.000 2.507 72 A HA 0.277 4.580 4.320 -0.027 0.000 0.270 72 A C 1.491 179.021 177.584 -0.090 0.000 1.318 72 A CA -0.115 51.917 52.037 -0.008 0.000 0.924 72 A CB -0.136 18.864 19.000 0.000 0.000 1.061 72 A HN 0.345 nan 8.150 nan 0.000 0.516 73 L N -1.333 119.817 121.223 -0.121 0.000 2.959 73 L HA 0.251 4.574 4.340 -0.027 0.000 0.259 73 L C 0.902 177.619 176.870 -0.255 0.000 1.185 73 L CA -0.185 54.497 54.840 -0.263 0.000 0.998 73 L CB -0.082 41.846 42.059 -0.219 0.000 1.337 73 L HN 0.577 nan 8.230 nan 0.000 0.555 74 H N -1.631 117.396 119.070 -0.072 0.000 4.803 74 H HA -0.340 4.199 4.556 -0.028 0.000 0.060 74 H C 1.937 177.150 175.328 -0.193 0.000 0.602 74 H CA 1.407 57.408 56.048 -0.077 0.000 0.950 74 H CB -1.743 28.013 29.762 -0.009 0.000 0.516 74 H HN 0.275 nan 8.280 nan 0.000 0.809 75 A N 2.335 125.086 122.820 -0.114 0.000 1.849 75 A HA -0.139 4.164 4.320 -0.027 0.000 0.217 75 A C -0.030 177.203 177.584 -0.585 0.000 1.202 75 A CA 3.192 54.931 52.037 -0.496 0.000 0.629 75 A CB -1.632 17.175 19.000 -0.322 0.000 0.834 75 A HN 0.592 nan 8.150 nan 0.000 0.447 76 P HA -0.122 nan 4.420 nan 0.000 0.216 76 P C 1.527 178.714 177.300 -0.188 0.000 1.150 76 P CA 1.953 64.905 63.100 -0.247 0.000 0.837 76 P CB -0.272 31.326 31.700 -0.170 0.000 0.786 77 S N 0.227 115.842 115.700 -0.141 0.000 2.368 77 S HA -0.175 4.278 4.470 -0.027 0.000 0.225 77 S C 2.244 176.781 174.600 -0.104 0.000 1.030 77 S CA 1.103 59.255 58.200 -0.080 0.000 0.999 77 S CB -0.872 62.319 63.200 -0.015 0.000 0.844 77 S HN 0.275 nan 8.310 nan 0.000 0.459 78 Q N 0.172 119.868 119.800 -0.174 0.000 2.230 78 Q HA 0.104 4.428 4.340 -0.027 0.000 0.202 78 Q C 1.882 177.781 176.000 -0.168 0.000 0.963 78 Q CA 0.752 56.461 55.803 -0.156 0.000 0.866 78 Q CB -0.095 28.551 28.738 -0.153 0.000 0.931 78 Q HN 0.547 nan 8.270 nan 0.000 0.452 79 I N -0.743 119.648 120.570 -0.298 0.000 2.500 79 I HA -0.174 3.980 4.170 -0.027 0.000 0.252 79 I C 1.880 177.964 176.117 -0.054 0.000 1.142 79 I CA 0.376 61.588 61.300 -0.145 0.000 1.451 79 I CB 0.110 38.005 38.000 -0.175 0.000 1.093 79 I HN 0.043 nan 8.210 nan 0.000 0.430 80 V N 1.109 120.979 119.914 -0.072 0.000 2.379 80 V HA -0.197 3.907 4.120 -0.027 0.000 0.245 80 V C 2.756 178.837 176.094 -0.021 0.000 1.044 80 V CA 1.830 64.107 62.300 -0.039 0.000 1.036 80 V CB -0.823 30.976 31.823 -0.041 0.000 0.664 80 V HN 0.445 nan 8.190 nan 0.000 0.453 81 A N 0.104 122.911 122.820 -0.022 0.000 1.940 81 A HA -0.151 4.153 4.320 -0.027 0.000 0.219 81 A C 2.401 179.991 177.584 0.010 0.000 1.176 81 A CA 2.235 54.269 52.037 -0.006 0.000 0.631 81 A CB -0.730 18.266 19.000 -0.005 0.000 0.814 81 A HN 0.559 nan 8.150 nan 0.000 0.446 82 A N 0.124 122.958 122.820 0.024 0.000 1.841 82 A HA -0.066 4.237 4.320 -0.027 0.000 0.214 82 A C 2.048 179.651 177.584 0.031 0.000 1.195 82 A CA 1.423 53.486 52.037 0.044 0.000 0.611 82 A CB -0.723 18.329 19.000 0.086 0.000 0.835 82 A HN 0.477 nan 8.150 nan 0.000 0.443 83 I N -0.219 120.366 120.570 0.025 0.000 2.381 83 I HA -0.339 3.815 4.170 -0.027 0.000 0.255 83 I C 2.476 178.596 176.117 0.005 0.000 1.140 83 I CA 1.907 63.215 61.300 0.013 0.000 1.404 83 I CB -0.278 37.723 38.000 0.002 0.000 1.075 83 I HN 0.348 nan 8.210 nan 0.000 0.433 84 K N 1.235 121.637 120.400 0.004 0.000 1.973 84 K HA -0.188 4.116 4.320 -0.027 0.000 0.212 84 K C 2.303 178.905 176.600 0.004 0.000 1.047 84 K CA 2.216 58.503 56.287 0.001 0.000 0.937 84 K CB -0.878 31.622 32.500 -0.000 0.000 0.721 84 K HN 0.128 nan 8.250 nan 0.000 0.440 85 S N -0.063 115.643 115.700 0.009 0.000 2.381 85 S HA -0.273 4.181 4.470 -0.027 0.000 0.230 85 S C 2.188 176.793 174.600 0.008 0.000 1.052 85 S CA 2.025 60.231 58.200 0.010 0.000 1.068 85 S CB -0.496 62.714 63.200 0.015 0.000 0.918 85 S HN 0.412 nan 8.310 nan 0.000 0.448 86 R N 1.325 121.832 120.500 0.011 0.000 2.096 86 R HA 0.186 4.510 4.340 -0.027 0.000 0.235 86 R C 2.417 178.719 176.300 0.003 0.000 1.127 86 R CA 1.715 57.819 56.100 0.008 0.000 0.968 86 R CB -1.363 28.943 30.300 0.010 0.000 0.861 86 R HN 0.496 nan 8.270 nan 0.000 0.440 87 A N 0.323 123.143 122.820 0.001 0.000 1.933 87 A HA -0.145 4.158 4.320 -0.027 0.000 0.218 87 A C 1.710 179.292 177.584 -0.002 0.000 1.175 87 A CA 1.832 53.867 52.037 -0.003 0.000 0.628 87 A CB -0.577 18.419 19.000 -0.005 0.000 0.814 87 A HN 0.327 nan 8.150 nan 0.000 0.444 88 D N -0.282 120.118 120.400 -0.001 0.000 2.092 88 D HA -0.171 4.453 4.640 -0.027 0.000 0.193 88 D C 2.162 178.462 176.300 -0.000 0.000 0.994 88 D CA 1.551 55.551 54.000 -0.000 0.000 0.828 88 D CB -0.425 40.375 40.800 0.001 0.000 0.963 88 D HN 0.590 nan 8.370 nan 0.000 0.450 89 Q N -0.531 119.270 119.800 0.001 0.000 2.234 89 Q HA -0.060 4.264 4.340 -0.027 0.000 0.206 89 Q C 1.555 177.555 176.000 -0.000 0.000 0.980 89 Q CA 0.675 56.478 55.803 0.001 0.000 0.869 89 Q CB 0.068 28.807 28.738 0.002 0.000 0.912 89 Q HN 0.351 nan 8.270 nan 0.000 0.436 90 L N -0.770 120.452 121.223 -0.001 0.000 2.700 90 L HA 0.284 4.608 4.340 -0.027 0.000 0.234 90 L C 0.582 177.451 176.870 -0.003 0.000 1.156 90 L CA -0.137 54.702 54.840 -0.002 0.000 0.946 90 L CB 0.046 42.103 42.059 -0.002 0.000 1.216 90 L HN 0.174 nan 8.230 nan 0.000 0.493 91 G N 1.703 110.502 108.800 -0.003 0.000 2.381 91 G HA2 -0.047 3.897 3.960 -0.027 0.000 0.281 91 G HA3 -0.047 3.897 3.960 -0.027 0.000 0.281 91 G C -0.081 174.816 174.900 -0.004 0.000 0.984 91 G CA 0.285 45.383 45.100 -0.003 0.000 1.339 91 G HN 0.595 nan 8.290 nan 0.000 0.485 92 A N 0.412 123.229 122.820 -0.005 0.000 2.517 92 A HA 0.899 5.202 4.320 -0.027 0.000 0.297 92 A C 0.076 177.655 177.584 -0.007 0.000 1.050 92 A CA 0.260 52.293 52.037 -0.007 0.000 0.694 92 A CB 1.410 20.406 19.000 -0.008 0.000 1.277 92 A HN 1.284 nan 8.150 nan 0.000 0.400 93 S N -0.041 115.654 115.700 -0.009 0.000 2.616 93 S HA 0.710 5.163 4.470 -0.027 0.000 0.277 93 S C -0.316 174.277 174.600 -0.012 0.000 1.234 93 S CA -0.550 57.644 58.200 -0.009 0.000 1.028 93 S CB 1.565 64.760 63.200 -0.009 0.000 0.988 93 S HN 0.788 nan 8.310 nan 0.000 0.522 94 V N 2.181 122.088 119.914 -0.012 0.000 2.656 94 V HA 0.578 4.681 4.120 -0.027 0.000 0.307 94 V C -0.766 175.319 176.094 -0.015 0.000 1.051 94 V CA -0.567 61.724 62.300 -0.015 0.000 0.893 94 V CB 2.062 33.876 31.823 -0.014 0.000 0.999 94 V HN 0.648 nan 8.190 nan 0.000 0.426 95 V N 4.986 124.889 119.914 -0.019 0.000 2.588 95 V HA 0.583 4.686 4.120 -0.027 0.000 0.304 95 V C -0.761 175.319 176.094 -0.023 0.000 1.042 95 V CA -0.455 61.834 62.300 -0.018 0.000 0.877 95 V CB 2.459 34.271 31.823 -0.018 0.000 0.996 95 V HN 0.628 nan 8.190 nan 0.000 0.425 96 V N 3.811 123.713 119.914 -0.021 0.000 2.448 96 V HA 0.517 4.621 4.120 -0.027 0.000 0.295 96 V C 0.110 176.190 176.094 -0.024 0.000 1.025 96 V CA -0.429 61.857 62.300 -0.024 0.000 0.859 96 V CB 1.788 33.598 31.823 -0.021 0.000 0.988 96 V HN 0.791 nan 8.190 nan 0.000 0.431 97 S N 5.434 121.116 115.700 -0.030 0.000 2.462 97 S HA 0.665 5.119 4.470 -0.027 0.000 0.294 97 S C -0.355 174.223 174.600 -0.037 0.000 1.144 97 S CA -0.581 57.600 58.200 -0.032 0.000 1.088 97 S CB 0.650 63.828 63.200 -0.037 0.000 1.009 97 S HN 0.671 nan 8.310 nan 0.000 0.484 98 M N 4.646 124.228 119.600 -0.030 0.000 2.264 98 M HA 0.416 4.880 4.480 -0.027 0.000 0.352 98 M C -0.552 175.723 176.300 -0.041 0.000 1.173 98 M CA -0.768 54.517 55.300 -0.024 0.000 1.075 98 M CB 1.541 34.135 32.600 -0.010 0.000 1.621 98 M HN 0.531 nan 8.290 nan 0.000 0.457 99 V N 1.114 120.998 119.914 -0.050 0.000 2.667 99 V HA 0.544 4.648 4.120 -0.027 0.000 0.308 99 V C -0.687 175.414 176.094 0.012 0.000 1.048 99 V CA -0.878 61.361 62.300 -0.101 0.000 0.928 99 V CB 1.683 33.281 31.823 -0.374 0.000 1.004 99 V HN 0.808 nan 8.190 nan 0.000 0.444 100 E N 2.988 123.196 120.200 0.015 0.000 1.996 100 E HA 0.316 4.649 4.350 -0.027 0.000 0.280 100 E C 0.006 176.722 176.600 0.194 0.000 1.092 100 E CA -0.374 56.078 56.400 0.087 0.000 0.862 100 E CB 0.520 30.250 29.700 0.050 0.000 1.066 100 E HN 0.461 nan 8.360 nan 0.000 0.396 101 R N 2.939 123.617 120.500 0.297 0.000 2.998 101 R HA -0.060 4.263 4.340 -0.027 0.000 0.274 101 R C 0.076 176.507 176.300 0.218 0.000 1.393 101 R CA 0.474 56.790 56.100 0.360 0.000 0.983 101 R CB -0.851 29.558 30.300 0.182 0.000 1.111 101 R HN 0.736 nan 8.270 nan 0.000 0.514 102 S N 0.736 116.592 115.700 0.259 0.000 3.730 102 S HA 0.359 4.812 4.470 -0.027 0.000 0.218 102 S C 0.689 175.387 174.600 0.164 0.000 1.053 102 S CA 0.270 58.560 58.200 0.150 0.000 0.878 102 S CB 0.721 63.981 63.200 0.100 0.000 1.064 102 S HN 0.461 nan 8.310 nan 0.000 0.583 103 G N 0.254 109.171 108.800 0.194 0.000 2.727 103 G HA2 0.546 4.490 3.960 -0.027 0.000 0.289 103 G HA3 0.546 4.490 3.960 -0.027 0.000 0.289 103 G C 0.207 175.222 174.900 0.192 0.000 1.418 103 G CA 0.096 45.299 45.100 0.172 0.000 0.818 103 G HN 0.571 nan 8.290 nan 0.000 0.486 104 V N -0.369 119.635 119.914 0.150 0.000 2.594 104 V HA -0.071 4.033 4.120 -0.027 0.000 0.253 104 V C 2.503 178.631 176.094 0.057 0.000 1.069 104 V CA 2.948 65.325 62.300 0.128 0.000 1.082 104 V CB -0.199 31.681 31.823 0.095 0.000 0.680 104 V HN 0.801 nan 8.190 nan 0.000 0.469 105 E N 0.164 120.382 120.200 0.031 0.000 2.046 105 E HA -0.056 4.278 4.350 -0.027 0.000 0.190 105 E C 2.264 178.839 176.600 -0.040 0.000 0.982 105 E CA 1.421 57.815 56.400 -0.010 0.000 0.800 105 E CB -0.579 29.111 29.700 -0.017 0.000 0.756 105 E HN 0.655 nan 8.360 nan 0.000 0.449 106 A N 0.183 122.978 122.820 -0.041 0.000 1.903 106 A HA -0.318 3.985 4.320 -0.027 0.000 0.219 106 A C 2.520 179.997 177.584 -0.178 0.000 1.191 106 A CA 1.840 53.819 52.037 -0.096 0.000 0.638 106 A CB -1.337 17.611 19.000 -0.086 0.000 0.823 106 A HN 0.513 nan 8.150 nan 0.000 0.451 107 C N -0.713 118.457 119.300 -0.217 0.000 2.432 107 C HA -0.065 4.378 4.460 -0.027 0.000 0.277 107 C C 2.735 177.690 174.990 -0.059 0.000 1.249 107 C CA 1.478 60.354 59.018 -0.236 0.000 1.725 107 C CB -1.155 26.499 27.740 -0.144 0.000 2.028 107 C HN 0.654 nan 8.230 nan 0.000 0.477 108 K N -0.275 120.130 120.400 0.009 0.000 2.211 108 K HA -0.131 4.173 4.320 -0.027 0.000 0.204 108 K C 1.860 178.535 176.600 0.125 0.000 1.047 108 K CA 1.917 58.267 56.287 0.106 0.000 0.935 108 K CB -0.270 32.270 32.500 0.067 0.000 0.728 108 K HN 0.579 nan 8.250 nan 0.000 0.452 109 T N 1.034 115.580 114.554 -0.012 0.000 2.639 109 T HA -0.162 4.172 4.350 -0.027 0.000 0.261 109 T C 2.055 176.775 174.700 0.034 0.000 1.053 109 T CA 1.413 63.505 62.100 -0.014 0.000 1.158 109 T CB -0.443 68.393 68.868 -0.054 0.000 0.863 109 T HN 0.315 nan 8.240 nan 0.000 0.413 110 A N 1.288 124.094 122.820 -0.024 0.000 1.903 110 A HA -0.153 4.151 4.320 -0.027 0.000 0.219 110 A C 2.610 180.191 177.584 -0.004 0.000 1.191 110 A CA 2.089 54.106 52.037 -0.032 0.000 0.638 110 A CB -1.403 17.548 19.000 -0.083 0.000 0.823 110 A HN 0.335 nan 8.150 nan 0.000 0.451 111 V N -0.690 119.230 119.914 0.009 0.000 2.219 111 V HA -0.352 3.752 4.120 -0.027 0.000 0.248 111 V C 2.354 178.462 176.094 0.023 0.000 1.053 111 V CA 2.654 64.960 62.300 0.011 0.000 1.009 111 V CB -1.279 30.572 31.823 0.047 0.000 0.636 111 V HN 0.741 nan 8.190 nan 0.000 0.445 112 H N 0.240 119.297 119.070 -0.022 0.000 2.466 112 H HA -0.146 4.393 4.556 -0.027 0.000 0.297 112 H C 2.202 177.519 175.328 -0.018 0.000 1.113 112 H CA 2.112 58.151 56.048 -0.016 0.000 1.273 112 H CB -0.254 29.500 29.762 -0.013 0.000 1.371 112 H HN 0.576 nan 8.280 nan 0.000 0.528 113 N N -0.777 117.973 118.700 0.083 0.000 2.402 113 N HA 0.017 4.741 4.740 -0.027 0.000 0.174 113 N C 1.381 176.894 175.510 0.006 0.000 1.027 113 N CA 0.193 53.265 53.050 0.037 0.000 0.891 113 N CB 0.292 38.791 38.487 0.022 0.000 1.016 113 N HN 0.222 nan 8.380 nan 0.000 0.439 114 L N 1.036 122.256 121.223 -0.006 0.000 2.201 114 L HA -0.018 4.305 4.340 -0.027 0.000 0.212 114 L C 1.894 178.745 176.870 -0.031 0.000 1.105 114 L CA 0.712 55.539 54.840 -0.023 0.000 0.775 114 L CB -0.053 41.986 42.059 -0.033 0.000 0.913 114 L HN 0.223 nan 8.230 nan 0.000 0.440 115 L N -0.743 120.455 121.223 -0.042 0.000 2.599 115 L HA 0.011 4.334 4.340 -0.027 0.000 0.230 115 L C 2.106 178.949 176.870 -0.044 0.000 1.141 115 L CA 0.136 54.940 54.840 -0.060 0.000 0.877 115 L CB -0.049 41.941 42.059 -0.115 0.000 1.009 115 L HN 0.173 nan 8.230 nan 0.000 0.447 116 A N -1.595 121.210 122.820 -0.024 0.000 2.197 116 A HA 0.019 4.323 4.320 -0.027 0.000 0.210 116 A C 1.847 179.424 177.584 -0.012 0.000 1.180 116 A CA -0.021 52.008 52.037 -0.012 0.000 0.846 116 A CB 0.161 19.162 19.000 0.003 0.000 0.884 116 A HN 0.297 nan 8.150 nan 0.000 0.487 117 Q N -0.199 119.592 119.800 -0.015 0.000 2.451 117 Q HA 0.050 4.374 4.340 -0.027 0.000 0.206 117 Q C -0.204 175.787 176.000 -0.016 0.000 0.947 117 Q CA 0.350 56.145 55.803 -0.014 0.000 0.937 117 Q CB -0.090 28.639 28.738 -0.015 0.000 1.025 117 Q HN 0.665 nan 8.270 nan 0.000 0.511 118 R N -0.433 120.055 120.500 -0.019 0.000 3.531 118 R HA -0.126 4.198 4.340 -0.027 0.000 0.280 118 R C -0.143 176.145 176.300 -0.020 0.000 1.130 118 R CA 0.346 56.434 56.100 -0.020 0.000 0.757 118 R CB -2.457 27.834 30.300 -0.015 0.000 1.218 118 R HN 0.065 nan 8.270 nan 0.000 0.454 119 V N 0.146 120.046 119.914 -0.024 0.000 2.872 119 V HA 0.027 4.131 4.120 -0.027 0.000 0.307 119 V C 1.563 177.642 176.094 -0.025 0.000 1.072 119 V CA 1.231 63.517 62.300 -0.025 0.000 1.148 119 V CB 1.786 33.591 31.823 -0.030 0.000 0.954 119 V HN 0.487 nan 8.190 nan 0.000 0.490 120 S N 3.745 119.431 115.700 -0.023 0.000 2.388 120 S HA 0.225 4.679 4.470 -0.027 0.000 0.223 120 S C 0.718 175.303 174.600 -0.024 0.000 1.034 120 S CA 0.763 58.951 58.200 -0.021 0.000 0.963 120 S CB -0.272 62.918 63.200 -0.017 0.000 0.827 120 S HN 1.158 nan 8.310 nan 0.000 0.481 121 G N 0.285 109.067 108.800 -0.029 0.000 2.498 121 G HA2 0.655 4.598 3.960 -0.027 0.000 0.312 121 G HA3 0.655 4.598 3.960 -0.027 0.000 0.312 121 G C -1.836 173.034 174.900 -0.049 0.000 1.230 121 G CA -0.634 44.445 45.100 -0.035 0.000 0.968 121 G HN 0.380 nan 8.290 nan 0.000 0.481 122 L N 0.950 122.133 121.223 -0.067 0.000 2.362 122 L HA 0.606 4.929 4.340 -0.027 0.000 0.275 122 L C -0.803 175.981 176.870 -0.144 0.000 0.998 122 L CA -0.874 53.906 54.840 -0.099 0.000 0.820 122 L CB 2.040 44.036 42.059 -0.106 0.000 1.270 122 L HN 0.329 nan 8.230 nan 0.000 0.415 123 I N 5.232 125.712 120.570 -0.150 0.000 2.418 123 I HA 0.329 4.483 4.170 -0.027 0.000 0.287 123 I C -0.552 175.437 176.117 -0.214 0.000 1.008 123 I CA -0.575 60.619 61.300 -0.176 0.000 1.104 123 I CB 2.019 39.959 38.000 -0.101 0.000 1.264 123 I HN 0.360 nan 8.210 nan 0.000 0.438 124 I N 5.046 125.401 120.570 -0.358 0.000 2.377 124 I HA 0.173 4.327 4.170 -0.027 0.000 0.282 124 I C 0.013 176.068 176.117 -0.103 0.000 1.091 124 I CA -0.297 60.822 61.300 -0.303 0.000 1.207 124 I CB 0.225 37.847 38.000 -0.630 0.000 1.429 124 I HN 0.534 nan 8.210 nan 0.000 0.491 125 N N 6.517 125.211 118.700 -0.011 0.000 2.719 125 N HA 0.190 4.913 4.740 -0.027 0.000 0.243 125 N C -1.431 174.175 175.510 0.161 0.000 1.104 125 N CA -0.025 53.056 53.050 0.051 0.000 0.981 125 N CB 0.186 38.682 38.487 0.015 0.000 1.290 125 N HN 0.434 nan 8.380 nan 0.000 0.513 126 Y N 2.703 123.018 120.300 0.025 0.000 2.521 126 Y HA 0.396 4.930 4.550 -0.027 0.000 0.332 126 Y C -2.667 173.285 175.900 0.086 0.000 1.121 126 Y CA -1.893 56.233 58.100 0.045 0.000 1.037 126 Y CB 2.173 40.663 38.460 0.049 0.000 1.330 126 Y HN 0.340 nan 8.280 nan 0.000 0.452 127 P HA 0.074 nan 4.420 nan 0.000 0.259 127 P C -0.895 176.316 177.300 -0.149 0.000 1.635 127 P CA 0.319 63.272 63.100 -0.245 0.000 1.199 127 P CB -0.123 31.411 31.700 -0.276 0.000 1.850 128 L N 2.590 123.846 121.223 0.055 0.000 2.379 128 L HA 0.430 4.754 4.340 -0.027 0.000 0.269 128 L C 0.922 177.811 176.870 0.031 0.000 1.084 128 L CA -0.161 54.742 54.840 0.105 0.000 0.802 128 L CB 0.318 42.485 42.059 0.180 0.000 1.175 128 L HN 0.151 nan 8.230 nan 0.000 0.448 129 D N 0.413 120.825 120.400 0.020 0.000 2.312 129 D HA 0.073 4.697 4.640 -0.027 0.000 0.248 129 D C 0.919 177.204 176.300 -0.026 0.000 1.086 129 D CA -0.344 53.652 54.000 -0.006 0.000 0.948 129 D CB 1.147 41.947 40.800 -0.001 0.000 1.162 129 D HN 0.435 nan 8.370 nan 0.000 0.446 130 D N 0.384 120.764 120.400 -0.034 0.000 2.191 130 D HA -0.245 4.379 4.640 -0.027 0.000 0.190 130 D C 1.505 177.773 176.300 -0.053 0.000 1.007 130 D CA 1.616 55.588 54.000 -0.046 0.000 0.865 130 D CB 0.315 41.095 40.800 -0.034 0.000 0.929 130 D HN 0.326 nan 8.370 nan 0.000 0.447 131 Q N 0.390 120.169 119.800 -0.035 0.000 2.212 131 Q HA -0.069 4.255 4.340 -0.027 0.000 0.199 131 Q C 1.415 177.397 176.000 -0.031 0.000 0.950 131 Q CA 1.053 56.837 55.803 -0.032 0.000 0.863 131 Q CB 0.062 28.790 28.738 -0.018 0.000 0.944 131 Q HN 0.165 nan 8.270 nan 0.000 0.465 132 D N 0.013 120.403 120.400 -0.017 0.000 2.117 132 D HA -0.125 4.499 4.640 -0.027 0.000 0.197 132 D C 1.619 177.905 176.300 -0.022 0.000 0.987 132 D CA 1.345 55.350 54.000 0.007 0.000 0.829 132 D CB -0.331 40.498 40.800 0.048 0.000 0.961 132 D HN 0.361 nan 8.370 nan 0.000 0.460 133 A N 1.275 124.040 122.820 -0.092 0.000 1.884 133 A HA -0.234 4.070 4.320 -0.027 0.000 0.219 133 A C 2.402 179.805 177.584 -0.302 0.000 1.197 133 A CA 1.549 53.414 52.037 -0.285 0.000 0.637 133 A CB -0.990 17.787 19.000 -0.372 0.000 0.827 133 A HN 0.238 nan 8.150 nan 0.000 0.450 134 I N -0.195 120.260 120.570 -0.191 0.000 2.151 134 I HA -0.333 3.821 4.170 -0.027 0.000 0.243 134 I C 2.982 179.063 176.117 -0.059 0.000 1.080 134 I CA 1.303 62.527 61.300 -0.126 0.000 1.339 134 I CB -0.551 37.400 38.000 -0.082 0.000 1.039 134 I HN 0.367 nan 8.210 nan 0.000 0.409 135 A N 0.564 123.368 122.820 -0.025 0.000 1.917 135 A HA -0.173 4.131 4.320 -0.027 0.000 0.219 135 A C 2.394 180.009 177.584 0.052 0.000 1.182 135 A CA 2.301 54.348 52.037 0.018 0.000 0.633 135 A CB -1.032 17.985 19.000 0.027 0.000 0.819 135 A HN 0.300 nan 8.150 nan 0.000 0.448 136 V N -0.262 119.690 119.914 0.064 0.000 2.591 136 V HA -0.181 3.922 4.120 -0.027 0.000 0.249 136 V C 2.384 178.604 176.094 0.211 0.000 1.053 136 V CA 1.867 64.264 62.300 0.163 0.000 1.068 136 V CB -0.733 31.257 31.823 0.280 0.000 0.689 136 V HN 0.761 nan 8.190 nan 0.000 0.462 137 E N 1.019 121.277 120.200 0.096 0.000 2.077 137 E HA -0.228 4.105 4.350 -0.027 0.000 0.193 137 E C 2.234 178.898 176.600 0.107 0.000 0.989 137 E CA 1.433 57.925 56.400 0.153 0.000 0.800 137 E CB -0.185 29.507 29.700 -0.013 0.000 0.746 137 E HN 0.555 nan 8.360 nan 0.000 0.452 138 A N 1.206 124.060 122.820 0.057 0.000 1.933 138 A HA -0.079 4.224 4.320 -0.027 0.000 0.218 138 A C 2.385 179.999 177.584 0.049 0.000 1.175 138 A CA 1.681 53.744 52.037 0.043 0.000 0.628 138 A CB -0.703 18.316 19.000 0.032 0.000 0.814 138 A HN 0.422 nan 8.150 nan 0.000 0.444 139 A N -0.081 122.787 122.820 0.081 0.000 1.883 139 A HA -0.179 4.125 4.320 -0.027 0.000 0.217 139 A C 1.751 179.316 177.584 -0.032 0.000 1.186 139 A CA 1.387 53.472 52.037 0.079 0.000 0.624 139 A CB -1.639 17.470 19.000 0.180 0.000 0.822 139 A HN 1.153 nan 8.150 nan 0.000 0.444 140 C N 1.998 121.316 119.300 0.030 0.000 2.896 140 C HA 0.483 4.927 4.460 -0.027 0.000 0.499 140 C C 0.973 175.958 174.990 -0.009 0.000 1.022 140 C CA -0.689 58.324 59.018 -0.008 0.000 1.127 140 C CB -2.733 25.021 27.740 0.023 0.000 1.452 140 C HN 0.565 nan 8.230 nan 0.000 0.580 141 T N -0.047 114.478 114.554 -0.048 0.000 2.946 141 T HA 0.070 4.404 4.350 -0.027 0.000 0.311 141 T C 1.230 175.915 174.700 -0.025 0.000 1.063 141 T CA 0.467 62.547 62.100 -0.034 0.000 1.139 141 T CB 0.198 69.034 68.868 -0.055 0.000 0.994 141 T HN 1.080 nan 8.240 nan 0.000 0.547 142 N N -0.265 118.429 118.700 -0.011 0.000 2.639 142 N HA -0.251 4.472 4.740 -0.027 0.000 0.247 142 N C -0.234 175.271 175.510 -0.008 0.000 1.113 142 N CA 0.964 54.010 53.050 -0.007 0.000 0.740 142 N CB -2.172 36.310 38.487 -0.009 0.000 1.032 142 N HN 0.882 nan 8.380 nan 0.000 0.547 143 V N -4.288 115.622 119.914 -0.008 0.000 2.789 143 V HA 0.684 4.788 4.120 -0.027 0.000 0.311 143 V C -2.325 173.770 176.094 0.001 0.000 1.073 143 V CA -2.081 60.213 62.300 -0.010 0.000 0.921 143 V CB 2.022 33.831 31.823 -0.023 0.000 1.009 143 V HN -0.034 nan 8.190 nan 0.000 0.426 144 P HA 0.558 nan 4.420 nan 0.000 0.276 144 P C -0.541 176.755 177.300 -0.007 0.000 1.230 144 P CA 0.193 63.299 63.100 0.010 0.000 0.776 144 P CB 1.633 33.336 31.700 0.004 0.000 0.888 145 A N 3.587 126.414 122.820 0.011 0.000 2.454 145 A HA 0.740 5.044 4.320 -0.027 0.000 0.302 145 A C -1.160 176.396 177.584 -0.048 0.000 1.079 145 A CA -0.850 51.148 52.037 -0.066 0.000 0.731 145 A CB 1.353 20.311 19.000 -0.071 0.000 1.299 145 A HN 0.532 nan 8.150 nan 0.000 0.413 146 L N 1.391 122.509 121.223 -0.176 0.000 2.376 146 L HA 0.508 4.832 4.340 -0.027 0.000 0.275 146 L C -1.547 175.164 176.870 -0.265 0.000 0.987 146 L CA -0.312 54.473 54.840 -0.092 0.000 0.828 146 L CB 1.613 43.636 42.059 -0.059 0.000 1.249 146 L HN 0.713 nan 8.230 nan 0.000 0.409 147 F N 3.957 123.917 119.950 0.016 0.000 2.410 147 F HA 0.250 4.761 4.527 -0.027 0.000 0.349 147 F C 0.590 176.403 175.800 0.022 0.000 1.117 147 F CA -0.334 57.682 58.000 0.026 0.000 1.104 147 F CB 1.378 40.395 39.000 0.027 0.000 1.122 147 F HN 0.317 nan 8.300 nan 0.000 0.483 148 L N 1.270 122.554 121.223 0.100 0.000 2.515 148 L HA 0.156 4.480 4.340 -0.027 0.000 0.223 148 L C 0.359 177.293 176.870 0.105 0.000 1.079 148 L CA 0.776 55.667 54.840 0.085 0.000 0.857 148 L CB -0.123 41.968 42.059 0.053 0.000 1.050 148 L HN 0.447 nan 8.230 nan 0.000 0.476 149 D N 0.613 121.087 120.400 0.123 0.000 2.412 149 D HA 0.455 5.078 4.640 -0.027 0.000 0.276 149 D C -0.439 175.917 176.300 0.093 0.000 1.196 149 D CA 0.133 54.186 54.000 0.087 0.000 0.905 149 D CB 0.506 41.334 40.800 0.046 0.000 1.081 149 D HN -0.045 nan 8.370 nan 0.000 0.502 150 V N -0.473 119.485 119.914 0.073 0.000 3.189 150 V HA 0.730 4.834 4.120 -0.027 0.000 0.312 150 V C -0.619 175.466 176.094 -0.016 0.000 1.452 150 V CA -0.825 61.499 62.300 0.040 0.000 1.006 150 V CB 1.332 33.193 31.823 0.063 0.000 1.083 150 V HN 0.178 nan 8.190 nan 0.000 0.481 151 S N 0.085 115.764 115.700 -0.035 0.000 2.513 151 S HA 0.445 4.899 4.470 -0.027 0.000 0.299 151 S C 0.380 174.961 174.600 -0.031 0.000 1.087 151 S CA 0.170 58.330 58.200 -0.066 0.000 1.012 151 S CB 1.479 64.638 63.200 -0.068 0.000 1.044 151 S HN 1.047 nan 8.310 nan 0.000 0.485 152 D N 3.290 123.677 120.400 -0.021 0.000 2.271 152 D HA -0.201 4.423 4.640 -0.027 0.000 0.207 152 D C 0.939 177.251 176.300 0.021 0.000 0.983 152 D CA 1.157 55.171 54.000 0.024 0.000 0.878 152 D CB -0.390 40.456 40.800 0.076 0.000 0.920 152 D HN 0.715 nan 8.370 nan 0.000 0.479 153 Q N -0.140 119.667 119.800 0.011 0.000 2.387 153 Q HA 0.123 4.447 4.340 -0.027 0.000 0.211 153 Q C -0.344 175.649 176.000 -0.011 0.000 0.952 153 Q CA 0.446 56.254 55.803 0.008 0.000 0.957 153 Q CB 0.072 28.815 28.738 0.009 0.000 1.002 153 Q HN 0.144 nan 8.270 nan 0.000 0.502 154 T N 1.196 115.738 114.554 -0.019 0.000 2.879 154 T HA 0.209 4.543 4.350 -0.027 0.000 0.290 154 T C -2.344 172.333 174.700 -0.038 0.000 0.993 154 T CA -1.505 60.570 62.100 -0.041 0.000 0.975 154 T CB 1.776 70.601 68.868 -0.071 0.000 0.981 154 T HN -0.078 nan 8.240 nan 0.000 0.439 155 P HA 0.044 nan 4.420 nan 0.000 0.288 155 P C 0.001 177.279 177.300 -0.037 0.000 1.448 155 P CA 0.272 63.353 63.100 -0.031 0.000 0.764 155 P CB -0.599 31.083 31.700 -0.030 0.000 1.472 156 I N -3.199 117.341 120.570 -0.050 0.000 2.863 156 I HA 0.435 4.589 4.170 -0.027 0.000 0.311 156 I C -0.229 175.916 176.117 0.047 0.000 1.026 156 I CA -1.617 59.660 61.300 -0.039 0.000 1.077 156 I CB 1.010 38.889 38.000 -0.202 0.000 1.262 156 I HN -0.330 nan 8.210 nan 0.000 0.461 157 N N 3.360 122.131 118.700 0.118 0.000 2.420 157 N HA 0.257 4.980 4.740 -0.027 0.000 0.262 157 N C -0.513 175.098 175.510 0.167 0.000 1.144 157 N CA -0.191 52.928 53.050 0.116 0.000 0.952 157 N CB 0.800 39.352 38.487 0.108 0.000 1.081 157 N HN 0.785 nan 8.380 nan 0.000 0.480 158 S N 1.118 116.882 115.700 0.108 0.000 2.595 158 S HA 0.770 5.224 4.470 -0.027 0.000 0.281 158 S C -0.591 174.038 174.600 0.048 0.000 1.117 158 S CA -0.961 57.305 58.200 0.110 0.000 0.873 158 S CB 1.502 64.764 63.200 0.104 0.000 1.108 158 S HN 0.363 nan 8.310 nan 0.000 0.477 159 I N 2.457 123.044 120.570 0.029 0.000 2.500 159 I HA 0.538 4.692 4.170 -0.027 0.000 0.286 159 I C -0.699 175.392 176.117 -0.043 0.000 1.063 159 I CA -0.751 60.532 61.300 -0.028 0.000 1.062 159 I CB 1.572 39.543 38.000 -0.049 0.000 1.223 159 I HN 0.879 nan 8.210 nan 0.000 0.435 160 I N 0.649 121.176 120.570 -0.072 0.000 3.279 160 I HA 0.608 4.762 4.170 -0.027 0.000 0.315 160 I C -1.563 174.480 176.117 -0.123 0.000 1.187 160 I CA -0.884 60.390 61.300 -0.044 0.000 0.953 160 I CB 2.444 40.468 38.000 0.040 0.000 1.279 160 I HN 0.145 nan 8.210 nan 0.000 0.465 161 F N 1.221 121.236 119.950 0.110 0.000 2.379 161 F HA 0.401 4.912 4.527 -0.027 0.000 0.332 161 F C 1.123 177.032 175.800 0.181 0.000 1.096 161 F CA -0.171 57.902 58.000 0.122 0.000 1.105 161 F CB 1.758 40.832 39.000 0.124 0.000 1.189 161 F HN 0.472 nan 8.300 nan 0.000 0.515 162 S N 1.899 117.818 115.700 0.365 0.000 2.466 162 S HA 0.005 4.459 4.470 -0.027 0.000 0.286 162 S C 1.044 175.863 174.600 0.365 0.000 1.221 162 S CA -0.272 58.122 58.200 0.323 0.000 1.091 162 S CB -0.391 62.917 63.200 0.180 0.000 0.956 162 S HN 0.747 nan 8.310 nan 0.000 0.501 163 H N 2.434 121.626 119.070 0.204 0.000 2.482 163 H HA 0.235 4.775 4.556 -0.027 0.000 0.286 163 H C 1.797 177.233 175.328 0.181 0.000 1.017 163 H CA 0.799 56.971 56.048 0.206 0.000 1.322 163 H CB -0.028 29.804 29.762 0.118 0.000 1.426 163 H HN 0.596 nan 8.280 nan 0.000 0.546 164 E N 0.839 120.849 120.200 -0.317 0.000 2.106 164 E HA -0.137 4.196 4.350 -0.027 0.000 0.192 164 E C 1.369 177.953 176.600 -0.028 0.000 0.984 164 E CA 1.491 57.788 56.400 -0.171 0.000 0.806 164 E CB 0.074 29.660 29.700 -0.189 0.000 0.750 164 E HN 0.520 nan 8.360 nan 0.000 0.458 165 D N -1.049 119.348 120.400 -0.005 0.000 2.144 165 D HA -0.042 4.582 4.640 -0.027 0.000 0.207 165 D C 1.942 178.234 176.300 -0.012 0.000 0.970 165 D CA 1.200 55.180 54.000 -0.033 0.000 0.853 165 D CB -0.731 40.071 40.800 0.003 0.000 1.007 165 D HN 0.318 nan 8.370 nan 0.000 0.469 166 G N 0.935 109.790 108.800 0.090 0.000 2.547 166 G HA2 -0.337 3.607 3.960 -0.027 0.000 0.221 166 G HA3 -0.337 3.607 3.960 -0.027 0.000 0.221 166 G C 1.735 176.829 174.900 0.325 0.000 1.140 166 G CA 2.461 47.645 45.100 0.141 0.000 0.760 166 G HN 0.429 nan 8.290 nan 0.000 0.583 167 T N -1.546 113.206 114.554 0.330 0.000 2.937 167 T HA 0.055 4.389 4.350 -0.027 0.000 0.260 167 T C 2.201 176.958 174.700 0.095 0.000 1.051 167 T CA 1.055 63.402 62.100 0.411 0.000 1.141 167 T CB -0.122 68.918 68.868 0.287 0.000 0.879 167 T HN 0.356 nan 8.240 nan 0.000 0.459 168 R N 0.827 121.109 120.500 -0.363 0.000 2.080 168 R HA 0.011 4.334 4.340 -0.027 0.000 0.236 168 R C 2.458 178.553 176.300 -0.342 0.000 1.137 168 R CA 1.395 56.936 56.100 -0.931 0.000 0.943 168 R CB -0.599 29.171 30.300 -0.884 0.000 0.846 168 R HN 0.405 nan 8.270 nan 0.000 0.431 169 L N -0.153 120.975 121.223 -0.158 0.000 1.994 169 L HA -0.108 4.216 4.340 -0.027 0.000 0.208 169 L C 2.637 179.519 176.870 0.019 0.000 1.071 169 L CA 1.580 56.385 54.840 -0.059 0.000 0.745 169 L CB -0.908 41.115 42.059 -0.059 0.000 0.892 169 L HN 0.527 nan 8.230 nan 0.000 0.431 170 G N -0.504 108.336 108.800 0.065 0.000 2.556 170 G HA2 -0.277 3.667 3.960 -0.027 0.000 0.220 170 G HA3 -0.277 3.667 3.960 -0.027 0.000 0.220 170 G C 1.542 176.463 174.900 0.035 0.000 1.156 170 G CA 1.323 46.472 45.100 0.083 0.000 0.766 170 G HN 0.228 nan 8.290 nan 0.000 0.583 171 V N 0.404 120.348 119.914 0.050 0.000 2.244 171 V HA -0.136 3.968 4.120 -0.027 0.000 0.244 171 V C 2.654 178.780 176.094 0.054 0.000 1.042 171 V CA 2.105 64.435 62.300 0.050 0.000 1.006 171 V CB -0.604 31.312 31.823 0.156 0.000 0.641 171 V HN 0.430 nan 8.190 nan 0.000 0.446 172 E N -0.389 119.842 120.200 0.052 0.000 2.108 172 E HA -0.363 3.970 4.350 -0.027 0.000 0.203 172 E C 2.187 178.847 176.600 0.101 0.000 1.022 172 E CA 2.268 58.705 56.400 0.062 0.000 0.823 172 E CB -0.342 29.373 29.700 0.025 0.000 0.744 172 E HN 0.706 nan 8.360 nan 0.000 0.456 173 H N 0.535 119.602 119.070 -0.005 0.000 2.321 173 H HA -0.083 4.460 4.556 -0.023 0.000 0.300 173 H C 2.019 177.363 175.328 0.027 0.000 1.087 173 H CA 1.152 57.201 56.048 0.002 0.000 1.319 173 H CB -0.294 29.460 29.762 -0.013 0.000 1.379 173 H HN 0.027 nan 8.280 nan 0.000 0.501 174 L N 0.215 121.380 121.223 -0.096 0.000 2.012 174 L HA -0.145 4.179 4.340 -0.027 0.000 0.210 174 L C 2.700 179.571 176.870 0.001 0.000 1.073 174 L CA 1.316 56.082 54.840 -0.124 0.000 0.748 174 L CB -1.238 40.748 42.059 -0.123 0.000 0.891 174 L HN 0.266 nan 8.230 nan 0.000 0.431 175 V N -0.231 119.696 119.914 0.020 0.000 2.515 175 V HA -0.161 3.942 4.120 -0.027 0.000 0.250 175 V C 2.759 178.866 176.094 0.022 0.000 1.058 175 V CA 1.145 63.468 62.300 0.039 0.000 1.064 175 V CB -1.224 30.630 31.823 0.050 0.000 0.675 175 V HN 0.446 nan 8.190 nan 0.000 0.461 176 A N 0.025 122.858 122.820 0.023 0.000 2.024 176 A HA -0.099 4.205 4.320 -0.027 0.000 0.220 176 A C 1.990 179.570 177.584 -0.007 0.000 1.164 176 A CA 1.599 53.652 52.037 0.026 0.000 0.643 176 A CB -0.455 18.592 19.000 0.078 0.000 0.806 176 A HN 0.543 nan 8.150 nan 0.000 0.451 177 L N -1.420 119.775 121.223 -0.046 0.000 2.628 177 L HA 0.320 4.644 4.340 -0.027 0.000 0.229 177 L C 1.508 178.255 176.870 -0.204 0.000 1.137 177 L CA 0.733 55.510 54.840 -0.105 0.000 0.909 177 L CB 0.245 42.235 42.059 -0.115 0.000 1.137 177 L HN 0.505 nan 8.230 nan 0.000 0.470 178 G N -1.322 107.397 108.800 -0.134 0.000 2.157 178 G HA2 -0.239 3.704 3.960 -0.027 0.000 0.248 178 G HA3 -0.239 3.704 3.960 -0.027 0.000 0.248 178 G C 0.229 175.031 174.900 -0.163 0.000 0.979 178 G CA -0.429 44.586 45.100 -0.143 0.000 0.650 178 G HN 0.370 nan 8.290 nan 0.000 0.529 179 H N 0.386 119.426 119.070 -0.050 0.000 2.683 179 H HA 0.368 4.921 4.556 -0.004 0.000 0.339 179 H C 1.080 176.387 175.328 -0.034 0.000 1.081 179 H CA 0.540 56.558 56.048 -0.049 0.000 1.432 179 H CB 1.312 31.031 29.762 -0.073 0.000 1.462 179 H HN 0.352 nan 8.280 nan 0.000 0.557 180 Q N 2.017 121.877 119.800 0.100 0.000 2.586 180 Q HA 0.030 4.353 4.340 -0.027 0.000 0.243 180 Q C 0.029 176.055 176.000 0.043 0.000 0.846 180 Q CA 0.223 56.059 55.803 0.054 0.000 0.959 180 Q CB 0.517 29.274 28.738 0.032 0.000 1.227 180 Q HN 0.582 nan 8.270 nan 0.000 0.611 181 Q N 1.423 121.248 119.800 0.042 0.000 2.369 181 Q HA 0.369 4.693 4.340 -0.027 0.000 0.247 181 Q C -0.646 175.348 176.000 -0.009 0.000 1.083 181 Q CA 0.438 56.252 55.803 0.018 0.000 0.905 181 Q CB 0.507 29.255 28.738 0.017 0.000 1.305 181 Q HN 0.191 nan 8.270 nan 0.000 0.465 182 I N 1.482 122.035 120.570 -0.028 0.000 2.441 182 I HA 0.661 4.814 4.170 -0.027 0.000 0.295 182 I C -0.312 175.757 176.117 -0.081 0.000 0.994 182 I CA -1.086 60.166 61.300 -0.081 0.000 1.144 182 I CB 1.818 39.760 38.000 -0.097 0.000 1.314 182 I HN 0.490 nan 8.210 nan 0.000 0.445 183 A N 7.184 129.938 122.820 -0.110 0.000 2.325 183 A HA 0.867 5.170 4.320 -0.027 0.000 0.333 183 A C -0.873 176.628 177.584 -0.138 0.000 1.155 183 A CA -0.532 51.450 52.037 -0.092 0.000 0.814 183 A CB 0.959 19.915 19.000 -0.073 0.000 1.206 183 A HN 0.666 nan 8.150 nan 0.000 0.482 184 L N 1.855 123.023 121.223 -0.091 0.000 2.346 184 L HA 0.572 4.896 4.340 -0.027 0.000 0.276 184 L C -1.037 175.837 176.870 0.007 0.000 1.006 184 L CA -0.821 53.969 54.840 -0.082 0.000 0.817 184 L CB 1.792 43.884 42.059 0.056 0.000 1.272 184 L HN 0.620 nan 8.230 nan 0.000 0.421 185 L N 3.431 124.677 121.223 0.037 0.000 2.388 185 L HA 0.733 5.057 4.340 -0.027 0.000 0.267 185 L C -0.070 176.910 176.870 0.184 0.000 0.995 185 L CA -0.138 54.744 54.840 0.069 0.000 0.864 185 L CB 1.081 43.153 42.059 0.023 0.000 1.216 185 L HN 0.662 nan 8.230 nan 0.000 0.430 186 A N 2.928 125.826 122.820 0.130 0.000 2.257 186 A HA 0.850 5.154 4.320 -0.027 0.000 0.289 186 A C 0.503 177.982 177.584 -0.176 0.000 1.095 186 A CA 0.073 52.130 52.037 0.033 0.000 0.836 186 A CB 0.300 19.271 19.000 -0.049 0.000 1.111 186 A HN 0.854 nan 8.150 nan 0.000 0.497 187 G N -1.199 107.343 108.800 -0.431 0.000 2.531 187 G HA2 0.553 4.497 3.960 -0.027 0.000 0.313 187 G HA3 0.553 4.497 3.960 -0.027 0.000 0.313 187 G C -2.869 171.541 174.900 -0.817 0.000 1.238 187 G CA -1.760 42.759 45.100 -0.968 0.000 0.994 187 G HN 0.481 nan 8.290 nan 0.000 0.493 188 P HA -0.028 nan 4.420 nan 0.000 0.255 188 P C 0.887 177.978 177.300 -0.348 0.000 1.161 188 P CA 0.327 63.127 63.100 -0.500 0.000 0.768 188 P CB 0.304 31.731 31.700 -0.456 0.000 0.746 189 L N 2.011 123.101 121.223 -0.221 0.000 2.700 189 L HA -0.118 4.206 4.340 -0.027 0.000 0.240 189 L C 1.696 178.505 176.870 -0.103 0.000 1.162 189 L CA 0.834 55.583 54.840 -0.152 0.000 0.874 189 L CB -0.550 41.444 42.059 -0.108 0.000 1.001 189 L HN 0.406 nan 8.230 nan 0.000 0.447 190 S N -1.347 114.293 115.700 -0.099 0.000 2.348 190 S HA -0.073 4.381 4.470 -0.027 0.000 0.219 190 S C 1.127 175.705 174.600 -0.037 0.000 1.033 190 S CA 0.191 58.358 58.200 -0.055 0.000 0.974 190 S CB 0.030 63.206 63.200 -0.040 0.000 0.868 190 S HN 0.329 nan 8.310 nan 0.000 0.459 191 S N 1.687 117.384 115.700 -0.005 0.000 2.575 191 S HA 0.053 4.507 4.470 -0.027 0.000 0.295 191 S C 1.467 176.079 174.600 0.019 0.000 1.267 191 S CA -0.385 57.856 58.200 0.068 0.000 1.074 191 S CB 0.415 63.817 63.200 0.337 0.000 0.829 191 S HN 0.202 nan 8.310 nan 0.000 0.497 192 V N 5.717 125.631 119.914 -0.000 0.000 2.231 192 V HA -0.235 3.869 4.120 -0.027 0.000 0.250 192 V C 2.406 178.483 176.094 -0.028 0.000 1.058 192 V CA 2.454 64.739 62.300 -0.024 0.000 1.022 192 V CB -1.445 30.361 31.823 -0.029 0.000 0.640 192 V HN 0.918 nan 8.190 nan 0.000 0.445 193 S N 0.778 116.484 115.700 0.010 0.000 2.368 193 S HA -0.305 4.149 4.470 -0.027 0.000 0.226 193 S C 2.249 176.850 174.600 0.002 0.000 1.044 193 S CA 1.805 60.018 58.200 0.022 0.000 1.062 193 S CB -0.896 62.362 63.200 0.097 0.000 0.931 193 S HN 0.741 nan 8.310 nan 0.000 0.440 194 A N 2.103 124.964 122.820 0.068 0.000 1.859 194 A HA -0.208 4.096 4.320 -0.027 0.000 0.217 194 A C 2.203 179.673 177.584 -0.189 0.000 1.198 194 A CA 1.863 53.840 52.037 -0.100 0.000 0.629 194 A CB -0.730 18.132 19.000 -0.232 0.000 0.830 194 A HN 0.428 nan 8.150 nan 0.000 0.446 195 R N -0.926 119.498 120.500 -0.127 0.000 2.127 195 R HA -0.086 4.238 4.340 -0.027 0.000 0.238 195 R C 2.104 178.339 176.300 -0.108 0.000 1.134 195 R CA 1.372 57.406 56.100 -0.111 0.000 0.975 195 R CB -0.461 29.798 30.300 -0.068 0.000 0.865 195 R HN 0.577 nan 8.270 nan 0.000 0.447 196 L N -0.238 120.925 121.223 -0.100 0.000 2.027 196 L HA -0.159 4.165 4.340 -0.027 0.000 0.206 196 L C 2.458 179.263 176.870 -0.108 0.000 1.074 196 L CA 1.395 56.212 54.840 -0.038 0.000 0.745 196 L CB -0.265 41.754 42.059 -0.067 0.000 0.898 196 L HN 0.124 nan 8.230 nan 0.000 0.433 197 R N -0.381 119.935 120.500 -0.306 0.000 2.120 197 R HA -0.132 4.191 4.340 -0.027 0.000 0.234 197 R C 2.179 177.872 176.300 -1.011 0.000 1.123 197 R CA 0.926 56.621 56.100 -0.675 0.000 0.975 197 R CB -0.279 29.503 30.300 -0.862 0.000 0.866 197 R HN 0.309 nan 8.270 nan 0.000 0.446 198 L N 0.406 121.230 121.223 -0.666 0.000 2.291 198 L HA -0.031 4.293 4.340 -0.027 0.000 0.214 198 L C 2.063 178.848 176.870 -0.141 0.000 1.120 198 L CA 1.069 55.634 54.840 -0.458 0.000 0.799 198 L CB -0.455 41.471 42.059 -0.222 0.000 0.925 198 L HN 0.219 nan 8.230 nan 0.000 0.446 199 A N -0.124 122.646 122.820 -0.084 0.000 1.854 199 A HA -0.046 4.258 4.320 -0.027 0.000 0.214 199 A C 2.308 179.946 177.584 0.091 0.000 1.192 199 A CA 1.312 53.382 52.037 0.056 0.000 0.611 199 A CB -1.186 17.845 19.000 0.051 0.000 0.832 199 A HN 0.435 nan 8.150 nan 0.000 0.442 200 G N -0.833 107.994 108.800 0.044 0.000 2.514 200 G HA2 -0.288 3.656 3.960 -0.027 0.000 0.217 200 G HA3 -0.288 3.656 3.960 -0.027 0.000 0.217 200 G C 1.347 176.484 174.900 0.396 0.000 1.198 200 G CA 1.168 46.400 45.100 0.219 0.000 0.780 200 G HN 0.570 nan 8.290 nan 0.000 0.565 201 W N 0.585 122.006 121.300 0.203 0.000 2.325 201 W HA -0.034 4.613 4.660 -0.022 0.000 0.299 201 W C 2.418 179.014 176.519 0.128 0.000 1.215 201 W CA 0.892 58.321 57.345 0.140 0.000 1.244 201 W CB -1.288 28.180 29.460 0.012 0.000 1.140 201 W HN 0.330 nan 8.180 nan 0.000 0.523 202 H N -0.071 119.166 119.070 0.278 0.000 2.357 202 H HA -0.078 4.462 4.556 -0.027 0.000 0.301 202 H C 2.169 177.547 175.328 0.083 0.000 1.082 202 H CA 1.764 57.902 56.048 0.151 0.000 1.342 202 H CB -0.246 29.564 29.762 0.080 0.000 1.389 202 H HN 0.122 nan 8.280 nan 0.000 0.511 203 K N 0.240 120.738 120.400 0.163 0.000 2.002 203 K HA -0.153 4.151 4.320 -0.027 0.000 0.209 203 K C 1.926 178.409 176.600 -0.194 0.000 1.048 203 K CA 1.387 57.610 56.287 -0.107 0.000 0.930 203 K CB -0.093 32.203 32.500 -0.341 0.000 0.714 203 K HN 0.240 nan 8.250 nan 0.000 0.438 204 Y N 0.881 121.264 120.300 0.138 0.000 2.337 204 Y HA -0.067 4.466 4.550 -0.029 0.000 0.293 204 Y C 2.117 178.082 175.900 0.109 0.000 1.123 204 Y CA 0.579 58.750 58.100 0.119 0.000 1.201 204 Y CB -0.178 38.361 38.460 0.132 0.000 1.011 204 Y HN -0.021 nan 8.280 nan 0.000 0.545 205 L N -1.068 120.306 121.223 0.252 0.000 2.046 205 L HA -0.235 4.089 4.340 -0.027 0.000 0.208 205 L C 2.506 179.450 176.870 0.124 0.000 1.077 205 L CA 1.686 56.627 54.840 0.168 0.000 0.747 205 L CB -0.875 41.275 42.059 0.151 0.000 0.896 205 L HN 0.160 nan 8.230 nan 0.000 0.432 206 T N -0.642 113.980 114.554 0.112 0.000 2.720 206 T HA -0.135 4.199 4.350 -0.027 0.000 0.268 206 T C 1.912 176.636 174.700 0.040 0.000 1.037 206 T CA 1.102 63.240 62.100 0.064 0.000 1.144 206 T CB -0.043 68.848 68.868 0.039 0.000 0.864 206 T HN 0.186 nan 8.240 nan 0.000 0.444 207 R N 1.412 121.931 120.500 0.033 0.000 2.328 207 R HA 0.109 4.432 4.340 -0.027 0.000 0.207 207 R C 0.747 177.084 176.300 0.062 0.000 1.056 207 R CA 0.623 56.742 56.100 0.032 0.000 1.016 207 R CB -0.830 29.485 30.300 0.025 0.000 0.872 207 R HN 0.501 nan 8.270 nan 0.000 0.471 208 N N 0.652 119.398 118.700 0.077 0.000 2.328 208 N HA 0.016 4.739 4.740 -0.027 0.000 0.247 208 N C -0.505 175.039 175.510 0.056 0.000 1.165 208 N CA -0.220 52.873 53.050 0.072 0.000 0.873 208 N CB 0.650 39.191 38.487 0.090 0.000 1.125 208 N HN -0.184 nan 8.380 nan 0.000 0.513 209 Q N -0.201 119.628 119.800 0.047 0.000 2.422 209 Q HA -0.183 4.141 4.340 -0.027 0.000 0.245 209 Q C -0.751 175.275 176.000 0.043 0.000 0.922 209 Q CA 0.931 56.757 55.803 0.038 0.000 1.192 209 Q CB -0.990 27.766 28.738 0.030 0.000 1.641 209 Q HN 0.421 nan 8.270 nan 0.000 0.552 210 I N 0.843 121.447 120.570 0.056 0.000 2.392 210 I HA 0.303 4.457 4.170 -0.027 0.000 0.295 210 I C 0.434 176.595 176.117 0.073 0.000 0.985 210 I CA -0.393 60.943 61.300 0.059 0.000 1.221 210 I CB 1.631 39.667 38.000 0.061 0.000 1.366 210 I HN -0.019 nan 8.210 nan 0.000 0.467 211 Q N 6.493 126.333 119.800 0.066 0.000 2.330 211 Q HA 0.432 4.756 4.340 -0.027 0.000 0.269 211 Q C -2.331 173.711 176.000 0.070 0.000 1.022 211 Q CA -1.781 54.074 55.803 0.086 0.000 0.796 211 Q CB 2.201 30.983 28.738 0.073 0.000 1.271 211 Q HN 0.379 nan 8.270 nan 0.000 0.450 212 P HA 0.025 nan 4.420 nan 0.000 0.265 212 P C 0.637 177.957 177.300 0.032 0.000 1.193 212 P CA 0.140 63.261 63.100 0.035 0.000 0.765 212 P CB 0.549 32.256 31.700 0.012 0.000 0.823 213 I N -0.277 120.300 120.570 0.011 0.000 3.564 213 I HA 0.414 4.568 4.170 -0.027 0.000 0.294 213 I C 0.578 176.698 176.117 0.005 0.000 1.289 213 I CA 0.140 61.446 61.300 0.010 0.000 1.325 213 I CB -0.069 37.933 38.000 0.003 0.000 1.039 213 I HN 0.317 nan 8.210 nan 0.000 0.474 214 A N 1.243 124.063 122.820 0.000 0.000 2.590 214 A HA 0.643 4.947 4.320 -0.027 0.000 0.296 214 A C -1.099 176.482 177.584 -0.004 0.000 1.050 214 A CA -0.550 51.486 52.037 -0.002 0.000 0.697 214 A CB 1.009 20.002 19.000 -0.012 0.000 1.277 214 A HN 0.287 nan 8.150 nan 0.000 0.411 215 E N 2.053 122.256 120.200 0.005 0.000 2.649 215 E HA 0.334 4.667 4.350 -0.027 0.000 0.310 215 E C -0.851 175.753 176.600 0.007 0.000 1.036 215 E CA -0.639 55.768 56.400 0.012 0.000 0.772 215 E CB 0.594 30.308 29.700 0.023 0.000 1.513 215 E HN 0.638 nan 8.360 nan 0.000 0.384 216 R N 1.654 122.153 120.500 -0.002 0.000 2.541 216 R HA 0.498 4.821 4.340 -0.027 0.000 0.254 216 R C -0.072 176.215 176.300 -0.021 0.000 1.130 216 R CA -0.590 55.500 56.100 -0.016 0.000 1.152 216 R CB 0.324 30.609 30.300 -0.025 0.000 1.222 216 R HN 0.617 nan 8.270 nan 0.000 0.579 217 E N -0.596 119.577 120.200 -0.045 0.000 2.275 217 E HA 0.509 4.842 4.350 -0.027 0.000 0.270 217 E C -0.870 175.671 176.600 -0.099 0.000 0.882 217 E CA -0.584 55.767 56.400 -0.081 0.000 0.758 217 E CB 1.894 31.539 29.700 -0.091 0.000 1.195 217 E HN 0.677 nan 8.360 nan 0.000 0.419 218 G N 1.723 110.439 108.800 -0.141 0.000 2.938 218 G HA2 0.321 4.265 3.960 -0.027 0.000 0.258 218 G HA3 0.321 4.265 3.960 -0.027 0.000 0.258 218 G C -0.425 174.348 174.900 -0.213 0.000 1.356 218 G CA -0.300 44.723 45.100 -0.128 0.000 1.052 218 G HN 0.699 nan 8.290 nan 0.000 0.550 219 D N -3.873 116.441 120.400 -0.144 0.000 2.650 219 D HA 0.158 4.782 4.640 -0.027 0.000 0.265 219 D C 0.150 176.468 176.300 0.030 0.000 1.339 219 D CA -0.742 53.166 54.000 -0.155 0.000 0.816 219 D CB -0.336 40.440 40.800 -0.040 0.000 1.091 219 D HN 0.675 nan 8.370 nan 0.000 0.483 220 W N -0.051 121.251 121.300 0.004 0.000 1.619 220 W HA -0.297 4.346 4.660 -0.028 0.000 0.250 220 W C 0.270 176.790 176.519 0.001 0.000 1.014 220 W CA 0.317 57.664 57.345 0.004 0.000 0.427 220 W CB -1.910 27.540 29.460 -0.016 0.000 2.027 220 W HN 0.284 nan 8.180 nan 0.000 1.216 221 S N -0.225 115.601 115.700 0.211 0.000 2.664 221 S HA 0.854 5.308 4.470 -0.027 0.000 0.304 221 S C 0.892 175.562 174.600 0.117 0.000 1.099 221 S CA -0.398 57.879 58.200 0.129 0.000 1.003 221 S CB 1.907 65.161 63.200 0.089 0.000 1.092 221 S HN 0.478 nan 8.310 nan 0.000 0.525 222 A N 1.257 124.135 122.820 0.098 0.000 1.883 222 A HA -0.114 4.190 4.320 -0.027 0.000 0.217 222 A C 2.076 179.737 177.584 0.128 0.000 1.186 222 A CA 2.085 54.177 52.037 0.093 0.000 0.624 222 A CB -1.086 17.950 19.000 0.059 0.000 0.822 222 A HN 0.863 nan 8.150 nan 0.000 0.444 223 M N 0.985 120.663 119.600 0.131 0.000 2.358 223 M HA -0.102 4.362 4.480 -0.027 0.000 0.264 223 M C 1.997 178.372 176.300 0.125 0.000 1.064 223 M CA 1.873 57.282 55.300 0.182 0.000 1.093 223 M CB -0.456 32.226 32.600 0.137 0.000 1.401 223 M HN 0.553 nan 8.290 nan 0.000 0.440 224 S N -2.082 113.666 115.700 0.080 0.000 2.458 224 S HA 0.173 4.627 4.470 -0.027 0.000 0.223 224 S C 2.069 176.688 174.600 0.031 0.000 1.019 224 S CA 0.414 58.629 58.200 0.025 0.000 0.937 224 S CB -1.079 62.127 63.200 0.010 0.000 0.788 224 S HN 0.509 nan 8.310 nan 0.000 0.511 225 G N 0.978 109.829 108.800 0.084 0.000 2.421 225 G HA2 -0.063 3.880 3.960 -0.027 0.000 0.217 225 G HA3 -0.063 3.880 3.960 -0.027 0.000 0.217 225 G C 1.129 176.104 174.900 0.125 0.000 1.143 225 G CA 0.642 45.795 45.100 0.090 0.000 0.784 225 G HN 0.470 nan 8.290 nan 0.000 0.541 226 F N 1.215 121.162 119.950 -0.005 0.000 2.118 226 F HA 0.087 4.597 4.527 -0.028 0.000 0.293 226 F C 2.650 178.444 175.800 -0.011 0.000 1.102 226 F CA 1.361 59.353 58.000 -0.012 0.000 1.247 226 F CB -0.614 38.378 39.000 -0.014 0.000 1.017 226 F HN 0.125 nan 8.300 nan 0.000 0.475 227 Q N 0.477 119.994 119.800 -0.471 0.000 2.135 227 Q HA -0.223 4.101 4.340 -0.027 0.000 0.204 227 Q C 2.215 178.035 176.000 -0.299 0.000 0.981 227 Q CA 1.843 57.335 55.803 -0.518 0.000 0.856 227 Q CB -0.471 28.097 28.738 -0.283 0.000 0.902 227 Q HN 0.435 nan 8.270 nan 0.000 0.425 228 Q N -1.240 118.462 119.800 -0.164 0.000 2.079 228 Q HA -0.069 4.255 4.340 -0.027 0.000 0.200 228 Q C 1.928 177.881 176.000 -0.078 0.000 0.974 228 Q CA 2.076 57.820 55.803 -0.098 0.000 0.840 228 Q CB -0.270 28.436 28.738 -0.055 0.000 0.898 228 Q HN 0.549 nan 8.270 nan 0.000 0.430 229 T N -0.817 113.705 114.554 -0.054 0.000 2.812 229 T HA -0.104 4.230 4.350 -0.027 0.000 0.264 229 T C 1.690 176.369 174.700 -0.034 0.000 1.042 229 T CA 1.121 63.209 62.100 -0.020 0.000 1.140 229 T CB -0.237 68.649 68.868 0.030 0.000 0.870 229 T HN 0.084 nan 8.240 nan 0.000 0.445 230 M N 1.637 121.187 119.600 -0.083 0.000 2.144 230 M HA -0.118 4.346 4.480 -0.027 0.000 0.260 230 M C 2.233 178.481 176.300 -0.086 0.000 1.067 230 M CA 1.577 56.822 55.300 -0.091 0.000 1.095 230 M CB -0.621 31.818 32.600 -0.270 0.000 1.365 230 M HN 0.246 nan 8.290 nan 0.000 0.406 231 Q N -1.150 118.585 119.800 -0.109 0.000 2.020 231 Q HA -0.183 4.141 4.340 -0.027 0.000 0.198 231 Q C 2.201 178.172 176.000 -0.049 0.000 0.974 231 Q CA 1.893 57.649 55.803 -0.079 0.000 0.829 231 Q CB -0.422 28.264 28.738 -0.086 0.000 0.894 231 Q HN 0.661 nan 8.270 nan 0.000 0.433 232 M N 0.912 120.485 119.600 -0.044 0.000 2.115 232 M HA -0.258 4.205 4.480 -0.027 0.000 0.258 232 M C 1.994 178.282 176.300 -0.021 0.000 1.071 232 M CA 1.729 57.011 55.300 -0.029 0.000 1.100 232 M CB -0.253 32.331 32.600 -0.026 0.000 1.292 232 M HN 0.205 nan 8.290 nan 0.000 0.415 233 L N 0.774 121.987 121.223 -0.016 0.000 1.978 233 L HA -0.328 3.996 4.340 -0.027 0.000 0.218 233 L C 2.281 179.146 176.870 -0.007 0.000 1.075 233 L CA 1.697 56.534 54.840 -0.006 0.000 0.767 233 L CB -1.279 40.783 42.059 0.006 0.000 0.890 233 L HN 0.469 nan 8.230 nan 0.000 0.434 234 N N 0.071 118.764 118.700 -0.012 0.000 2.430 234 N HA -0.180 4.543 4.740 -0.027 0.000 0.186 234 N C 0.945 176.448 175.510 -0.012 0.000 1.032 234 N CA 1.027 54.070 53.050 -0.012 0.000 0.893 234 N CB -0.160 38.316 38.487 -0.019 0.000 0.957 234 N HN 0.478 nan 8.380 nan 0.000 0.442 235 E N -0.475 119.717 120.200 -0.014 0.000 2.349 235 E HA 0.182 4.516 4.350 -0.027 0.000 0.201 235 E C 0.916 177.511 176.600 -0.008 0.000 1.087 235 E CA -0.153 56.240 56.400 -0.013 0.000 1.128 235 E CB -0.197 29.494 29.700 -0.016 0.000 1.188 235 E HN 0.315 nan 8.360 nan 0.000 0.445 236 G N 1.196 109.992 108.800 -0.006 0.000 2.353 236 G HA2 -0.346 3.598 3.960 -0.027 0.000 0.258 236 G HA3 -0.346 3.598 3.960 -0.027 0.000 0.258 236 G C 0.441 175.339 174.900 -0.003 0.000 1.013 236 G CA 0.290 45.388 45.100 -0.003 0.000 0.622 236 G HN 0.362 nan 8.290 nan 0.000 0.535 237 I N 1.454 122.021 120.570 -0.006 0.000 2.436 237 I HA 0.411 4.565 4.170 -0.027 0.000 0.289 237 I C 0.042 176.155 176.117 -0.007 0.000 1.083 237 I CA -0.209 61.087 61.300 -0.006 0.000 1.372 237 I CB 1.292 39.286 38.000 -0.009 0.000 1.408 237 I HN -0.078 nan 8.210 nan 0.000 0.516 238 V N 8.810 128.721 119.914 -0.005 0.000 2.447 238 V HA 0.365 4.469 4.120 -0.027 0.000 0.292 238 V C -1.660 174.430 176.094 -0.007 0.000 1.021 238 V CA -1.103 61.194 62.300 -0.005 0.000 0.850 238 V CB 1.575 33.398 31.823 0.000 0.000 1.005 238 V HN 0.646 nan 8.190 nan 0.000 0.426 239 P HA 0.370 nan 4.420 nan 0.000 0.312 239 P C 0.383 177.676 177.300 -0.013 0.000 1.308 239 P CA 0.028 63.114 63.100 -0.024 0.000 0.743 239 P CB 1.162 32.830 31.700 -0.053 0.000 1.364 240 T N -5.291 109.255 114.554 -0.015 0.000 3.016 240 T HA 0.593 4.927 4.350 -0.027 0.000 0.271 240 T C 0.228 174.850 174.700 -0.131 0.000 0.968 240 T CA 0.142 62.266 62.100 0.040 0.000 0.891 240 T CB -0.198 68.778 68.868 0.180 0.000 1.149 240 T HN 0.676 nan 8.240 nan 0.000 0.524 241 A N 1.047 123.703 122.820 -0.273 0.000 2.540 241 A HA 0.757 5.061 4.320 -0.027 0.000 0.297 241 A C -1.296 176.123 177.584 -0.276 0.000 1.056 241 A CA -0.787 50.968 52.037 -0.470 0.000 0.700 241 A CB 1.506 19.947 19.000 -0.932 0.000 1.280 241 A HN 0.338 nan 8.150 nan 0.000 0.398 242 M N 2.242 121.700 119.600 -0.236 0.000 2.395 242 M HA 0.487 4.951 4.480 -0.027 0.000 0.307 242 M C -1.563 174.591 176.300 -0.243 0.000 1.091 242 M CA -0.498 54.684 55.300 -0.198 0.000 0.919 242 M CB 1.948 34.473 32.600 -0.126 0.000 1.662 242 M HN 0.663 nan 8.290 nan 0.000 0.440 243 L N 4.128 125.142 121.223 -0.349 0.000 2.280 243 L HA 0.586 4.910 4.340 -0.027 0.000 0.287 243 L C -0.930 175.629 176.870 -0.517 0.000 1.023 243 L CA -0.706 53.802 54.840 -0.554 0.000 0.819 243 L CB 1.584 43.053 42.059 -0.984 0.000 1.212 243 L HN 0.411 nan 8.230 nan 0.000 0.420 244 V N 2.502 122.279 119.914 -0.228 0.000 2.732 244 V HA 0.409 4.513 4.120 -0.027 0.000 0.310 244 V C 0.916 177.206 176.094 0.327 0.000 1.053 244 V CA -0.359 61.961 62.300 0.034 0.000 0.957 244 V CB 1.580 33.455 31.823 0.086 0.000 1.018 244 V HN 0.866 nan 8.190 nan 0.000 0.452 245 A N 2.805 125.905 122.820 0.467 0.000 2.066 245 A HA 0.069 4.373 4.320 -0.027 0.000 0.218 245 A C 0.815 178.671 177.584 0.453 0.000 1.157 245 A CA 1.573 53.907 52.037 0.495 0.000 0.670 245 A CB -0.511 18.649 19.000 0.266 0.000 0.804 245 A HN 1.071 nan 8.150 nan 0.000 0.453 246 N N -2.516 116.441 118.700 0.427 0.000 2.961 246 N HA 0.135 4.859 4.740 -0.027 0.000 0.245 246 N C -0.919 174.788 175.510 0.328 0.000 1.404 246 N CA -0.164 53.130 53.050 0.407 0.000 0.880 246 N CB 0.098 38.832 38.487 0.411 0.000 1.461 246 N HN -0.180 nan 8.380 nan 0.000 0.510 247 D N 0.463 121.047 120.400 0.306 0.000 2.123 247 D HA -0.150 4.474 4.640 -0.027 0.000 0.196 247 D C 1.410 177.931 176.300 0.369 0.000 0.992 247 D CA 1.811 56.003 54.000 0.319 0.000 0.833 247 D CB 0.108 41.071 40.800 0.271 0.000 0.954 247 D HN 0.611 nan 8.370 nan 0.000 0.455 248 Q N -0.336 119.661 119.800 0.329 0.000 2.002 248 Q HA -0.132 4.191 4.340 -0.027 0.000 0.204 248 Q C 2.348 178.459 176.000 0.185 0.000 0.988 248 Q CA 1.265 57.232 55.803 0.273 0.000 0.843 248 Q CB -0.180 28.678 28.738 0.201 0.000 0.908 248 Q HN 0.337 nan 8.270 nan 0.000 0.420 249 M N -0.157 119.563 119.600 0.200 0.000 2.202 249 M HA -0.182 4.281 4.480 -0.027 0.000 0.262 249 M C 2.272 178.647 176.300 0.123 0.000 1.063 249 M CA 1.289 56.683 55.300 0.156 0.000 1.097 249 M CB -0.357 32.343 32.600 0.166 0.000 1.382 249 M HN 0.254 nan 8.290 nan 0.000 0.413 250 A N 0.471 123.379 122.820 0.147 0.000 1.972 250 A HA -0.129 4.175 4.320 -0.027 0.000 0.219 250 A C 2.168 179.769 177.584 0.028 0.000 1.169 250 A CA 1.087 53.192 52.037 0.114 0.000 0.635 250 A CB -0.771 18.334 19.000 0.174 0.000 0.810 250 A HN 0.510 nan 8.150 nan 0.000 0.446 251 L N -0.579 120.613 121.223 -0.052 0.000 1.994 251 L HA -0.148 4.175 4.340 -0.027 0.000 0.208 251 L C 2.599 179.379 176.870 -0.149 0.000 1.071 251 L CA 1.769 56.421 54.840 -0.313 0.000 0.745 251 L CB -0.834 40.933 42.059 -0.487 0.000 0.892 251 L HN 0.454 nan 8.230 nan 0.000 0.431 252 G N -0.958 107.823 108.800 -0.033 0.000 2.440 252 G HA2 -0.309 3.635 3.960 -0.027 0.000 0.218 252 G HA3 -0.309 3.635 3.960 -0.027 0.000 0.218 252 G C 1.641 176.609 174.900 0.113 0.000 1.154 252 G CA 0.812 45.945 45.100 0.056 0.000 0.767 252 G HN 0.579 nan 8.290 nan 0.000 0.552 253 A N 0.133 123.006 122.820 0.090 0.000 1.933 253 A HA 0.037 4.340 4.320 -0.027 0.000 0.218 253 A C 2.388 180.004 177.584 0.052 0.000 1.175 253 A CA 1.946 54.036 52.037 0.088 0.000 0.628 253 A CB -0.334 18.698 19.000 0.052 0.000 0.814 253 A HN 0.381 nan 8.150 nan 0.000 0.444 254 M N -0.963 118.638 119.600 0.001 0.000 2.126 254 M HA -0.177 4.286 4.480 -0.027 0.000 0.259 254 M C 2.321 178.595 176.300 -0.045 0.000 1.073 254 M CA 2.296 57.579 55.300 -0.027 0.000 1.103 254 M CB -0.365 32.197 32.600 -0.064 0.000 1.284 254 M HN 0.520 nan 8.290 nan 0.000 0.420 255 R N 0.129 120.564 120.500 -0.108 0.000 2.134 255 R HA -0.263 4.061 4.340 -0.027 0.000 0.248 255 R C 1.939 178.167 176.300 -0.120 0.000 1.143 255 R CA 2.199 58.192 56.100 -0.179 0.000 0.957 255 R CB -0.617 29.471 30.300 -0.353 0.000 0.867 255 R HN 0.466 nan 8.270 nan 0.000 0.441 256 A N 1.015 123.845 122.820 0.016 0.000 1.883 256 A HA -0.147 4.157 4.320 -0.027 0.000 0.217 256 A C 2.257 179.911 177.584 0.117 0.000 1.186 256 A CA 1.714 53.896 52.037 0.241 0.000 0.624 256 A CB -0.527 18.746 19.000 0.455 0.000 0.822 256 A HN 0.435 nan 8.150 nan 0.000 0.444 257 I N -0.646 119.964 120.570 0.066 0.000 2.286 257 I HA -0.222 3.932 4.170 -0.027 0.000 0.248 257 I C 2.566 178.695 176.117 0.019 0.000 1.115 257 I CA 1.676 62.997 61.300 0.034 0.000 1.392 257 I CB -0.463 37.547 38.000 0.017 0.000 1.065 257 I HN 0.261 nan 8.210 nan 0.000 0.418 258 T N 0.126 114.682 114.554 0.003 0.000 2.732 258 T HA -0.130 4.204 4.350 -0.027 0.000 0.261 258 T C 1.680 176.379 174.700 -0.002 0.000 1.040 258 T CA 1.177 63.272 62.100 -0.009 0.000 1.145 258 T CB -0.185 68.664 68.868 -0.031 0.000 0.866 258 T HN 0.398 nan 8.240 nan 0.000 0.427 259 E N 1.252 121.452 120.200 0.000 0.000 2.333 259 E HA -0.035 4.298 4.350 -0.027 0.000 0.198 259 E C 1.989 178.611 176.600 0.036 0.000 1.007 259 E CA 0.640 57.049 56.400 0.016 0.000 0.845 259 E CB -0.091 29.622 29.700 0.022 0.000 0.766 259 E HN 0.296 nan 8.360 nan 0.000 0.507 260 S N -0.393 115.332 115.700 0.042 0.000 2.607 260 S HA 0.089 4.543 4.470 -0.027 0.000 0.224 260 S C 1.304 175.917 174.600 0.021 0.000 0.969 260 S CA 0.560 58.782 58.200 0.036 0.000 0.927 260 S CB 0.437 63.659 63.200 0.037 0.000 0.772 260 S HN 0.530 nan 8.310 nan 0.000 0.533 261 G N 1.205 110.015 108.800 0.016 0.000 2.137 261 G HA2 -0.218 3.725 3.960 -0.027 0.000 0.237 261 G HA3 -0.218 3.725 3.960 -0.027 0.000 0.237 261 G C -0.201 174.704 174.900 0.008 0.000 1.002 261 G CA -0.155 44.951 45.100 0.010 0.000 0.702 261 G HN 0.455 nan 8.290 nan 0.000 0.515 262 L N -0.140 121.089 121.223 0.009 0.000 2.346 262 L HA 0.555 4.878 4.340 -0.027 0.000 0.276 262 L C 0.878 177.752 176.870 0.007 0.000 1.006 262 L CA -1.178 53.667 54.840 0.009 0.000 0.817 262 L CB 1.571 43.636 42.059 0.010 0.000 1.272 262 L HN 0.051 nan 8.230 nan 0.000 0.421 263 R N 1.935 122.440 120.500 0.008 0.000 2.402 263 R HA 0.093 4.417 4.340 -0.027 0.000 0.331 263 R C -0.179 176.127 176.300 0.010 0.000 1.040 263 R CA -0.261 55.844 56.100 0.008 0.000 0.980 263 R CB 0.645 30.951 30.300 0.010 0.000 0.967 263 R HN 0.385 nan 8.270 nan 0.000 0.440 264 V N 4.481 124.399 119.914 0.007 0.000 2.403 264 V HA 0.336 4.439 4.120 -0.027 0.000 0.265 264 V C 0.966 177.069 176.094 0.014 0.000 1.034 264 V CA 1.686 63.990 62.300 0.007 0.000 1.036 264 V CB -0.015 31.811 31.823 0.005 0.000 1.032 264 V HN 1.041 nan 8.190 nan 0.000 0.478 265 G N 5.250 114.060 108.800 0.016 0.000 3.426 265 G HA2 -0.140 3.804 3.960 -0.027 0.000 0.196 265 G HA3 -0.140 3.804 3.960 -0.027 0.000 0.196 265 G C 1.073 175.996 174.900 0.038 0.000 1.763 265 G CA 0.428 45.544 45.100 0.027 0.000 1.210 265 G HN 1.527 nan 8.290 nan 0.000 0.472 266 A N 0.451 123.289 122.820 0.030 0.000 1.855 266 A HA 0.200 4.504 4.320 -0.027 0.000 0.215 266 A C 1.901 179.508 177.584 0.038 0.000 1.191 266 A CA 2.753 54.808 52.037 0.030 0.000 0.613 266 A CB -0.473 18.539 19.000 0.020 0.000 0.829 266 A HN 0.405 nan 8.150 nan 0.000 0.442 267 D N -0.908 119.510 120.400 0.030 0.000 2.214 267 D HA 0.180 4.803 4.640 -0.027 0.000 0.217 267 D C 0.416 176.738 176.300 0.036 0.000 0.973 267 D CA 0.819 54.838 54.000 0.032 0.000 0.880 267 D CB 0.083 40.894 40.800 0.018 0.000 1.031 267 D HN 0.347 nan 8.370 nan 0.000 0.468 268 I N 1.204 121.782 120.570 0.012 0.000 2.411 268 I HA 0.190 4.343 4.170 -0.027 0.000 0.284 268 I C -0.475 175.618 176.117 -0.041 0.000 1.012 268 I CA -0.450 60.837 61.300 -0.021 0.000 1.119 268 I CB 1.740 39.725 38.000 -0.026 0.000 1.261 268 I HN -0.219 nan 8.210 nan 0.000 0.448 269 S N 5.164 120.806 115.700 -0.096 0.000 2.584 269 S HA 0.568 5.022 4.470 -0.027 0.000 0.273 269 S C -0.100 174.425 174.600 -0.124 0.000 1.311 269 S CA -0.665 57.475 58.200 -0.099 0.000 1.034 269 S CB 2.130 65.240 63.200 -0.150 0.000 0.939 269 S HN 0.334 nan 8.310 nan 0.000 0.513 270 V N 2.579 122.456 119.914 -0.063 0.000 2.735 270 V HA 0.531 4.635 4.120 -0.027 0.000 0.310 270 V C -0.732 175.351 176.094 -0.018 0.000 1.061 270 V CA -0.628 61.642 62.300 -0.050 0.000 0.913 270 V CB 2.117 33.935 31.823 -0.007 0.000 1.005 270 V HN 0.697 nan 8.190 nan 0.000 0.428 271 V N 3.929 123.825 119.914 -0.031 0.000 2.419 271 V HA 0.611 4.714 4.120 -0.027 0.000 0.287 271 V C 0.725 176.852 176.094 0.055 0.000 1.017 271 V CA 0.150 62.458 62.300 0.013 0.000 0.844 271 V CB 1.368 33.181 31.823 -0.017 0.000 1.011 271 V HN 0.995 nan 8.190 nan 0.000 0.429 272 G N 2.962 111.832 108.800 0.116 0.000 2.679 272 G HA2 0.316 4.259 3.960 -0.027 0.000 0.202 272 G HA3 0.316 4.259 3.960 -0.027 0.000 0.202 272 G C -0.967 174.112 174.900 0.298 0.000 1.566 272 G CA 0.123 45.342 45.100 0.198 0.000 1.074 272 G HN 0.756 nan 8.290 nan 0.000 0.564 273 Y N -0.688 119.701 120.300 0.150 0.000 2.146 273 Y HA 0.373 4.906 4.550 -0.028 0.000 0.312 273 Y C -0.617 175.348 175.900 0.108 0.000 1.256 273 Y CA -0.389 57.799 58.100 0.146 0.000 1.468 273 Y CB 0.688 39.309 38.460 0.268 0.000 1.309 273 Y HN 0.606 nan 8.280 nan 0.000 0.377 274 D N 2.516 122.950 120.400 0.056 0.000 3.103 274 D HA -0.085 4.539 4.640 -0.027 0.000 0.537 274 D C -0.436 175.776 176.300 -0.146 0.000 0.344 274 D CA 1.223 55.240 54.000 0.028 0.000 0.990 274 D CB -0.693 40.258 40.800 0.252 0.000 1.505 274 D HN 0.573 nan 8.370 nan 0.000 0.436 275 D N 0.770 121.137 120.400 -0.055 0.000 2.778 275 D HA -0.118 4.505 4.640 -0.027 0.000 0.246 275 D C -0.612 175.668 176.300 -0.032 0.000 1.107 275 D CA 1.261 55.207 54.000 -0.090 0.000 0.732 275 D CB -0.836 39.866 40.800 -0.163 0.000 1.055 275 D HN 0.319 nan 8.370 nan 0.000 0.429 276 T N -1.112 113.488 114.554 0.077 0.000 2.802 276 T HA 0.190 4.524 4.350 -0.027 0.000 0.305 276 T C 1.438 176.132 174.700 -0.008 0.000 1.053 276 T CA -0.132 62.058 62.100 0.151 0.000 1.058 276 T CB 1.191 70.177 68.868 0.197 0.000 0.988 276 T HN 0.223 nan 8.240 nan 0.000 0.539 277 E N 0.878 121.070 120.200 -0.014 0.000 2.072 277 E HA -0.256 4.078 4.350 -0.027 0.000 0.218 277 E C 1.653 178.161 176.600 -0.155 0.000 1.051 277 E CA 2.157 58.511 56.400 -0.077 0.000 0.880 277 E CB -0.402 29.255 29.700 -0.071 0.000 0.783 277 E HN 0.697 nan 8.360 nan 0.000 0.473 278 D N -0.546 119.736 120.400 -0.197 0.000 2.280 278 D HA -0.132 4.492 4.640 -0.027 0.000 0.206 278 D C 1.889 177.842 176.300 -0.579 0.000 0.988 278 D CA 1.102 54.949 54.000 -0.257 0.000 0.886 278 D CB -0.367 40.358 40.800 -0.125 0.000 0.914 278 D HN 0.122 nan 8.370 nan 0.000 0.473 279 S N -0.024 115.254 115.700 -0.705 0.000 2.400 279 S HA -0.172 4.282 4.470 -0.027 0.000 0.232 279 S C 2.060 176.406 174.600 -0.422 0.000 1.025 279 S CA 1.203 58.881 58.200 -0.869 0.000 0.993 279 S CB -0.297 62.626 63.200 -0.461 0.000 0.808 279 S HN 0.456 nan 8.310 nan 0.000 0.478 280 S N -0.247 115.300 115.700 -0.255 0.000 2.474 280 S HA -0.024 4.430 4.470 -0.027 0.000 0.235 280 S C 1.438 175.979 174.600 -0.098 0.000 0.997 280 S CA 0.665 58.783 58.200 -0.137 0.000 0.949 280 S CB -0.617 62.523 63.200 -0.101 0.000 0.766 280 S HN 0.554 nan 8.310 nan 0.000 0.517 281 C N 0.663 119.890 119.300 -0.123 0.000 3.104 281 C HA 0.497 4.941 4.460 -0.027 0.000 0.284 281 C C 0.562 175.610 174.990 0.098 0.000 1.326 281 C CA -1.183 57.822 59.018 -0.020 0.000 1.725 281 C CB -1.495 26.238 27.740 -0.012 0.000 2.156 281 C HN 0.462 nan 8.230 nan 0.000 0.638 282 Y N 1.297 121.598 120.300 0.001 0.000 2.390 282 Y HA 0.202 4.736 4.550 -0.028 0.000 0.428 282 Y C 1.511 177.412 175.900 0.001 0.000 1.338 282 Y CA -0.476 57.627 58.100 0.005 0.000 1.977 282 Y CB -0.483 37.985 38.460 0.014 0.000 1.730 282 Y HN 0.104 nan 8.280 nan 0.000 0.674 283 I N 0.704 121.391 120.570 0.194 0.000 2.753 283 I HA -0.012 4.142 4.170 -0.027 0.000 0.122 283 I C -1.879 174.291 176.117 0.090 0.000 1.411 283 I CA -1.216 60.135 61.300 0.084 0.000 0.969 283 I CB -1.353 36.664 38.000 0.027 0.000 1.597 283 I HN 0.280 nan 8.210 nan 0.000 0.887 284 P HA 0.050 nan 4.420 nan 0.000 0.258 284 P C -2.414 174.935 177.300 0.082 0.000 1.187 284 P CA -0.416 62.719 63.100 0.057 0.000 0.767 284 P CB -0.291 31.436 31.700 0.044 0.000 0.770 285 P HA -0.121 nan 4.420 nan 0.000 0.261 285 P C 0.052 177.386 177.300 0.057 0.000 1.158 285 P CA 0.655 63.786 63.100 0.051 0.000 0.758 285 P CB 0.297 32.003 31.700 0.010 0.000 0.763 286 L N 3.784 125.049 121.223 0.069 0.000 2.477 286 L HA 0.024 4.347 4.340 -0.027 0.000 0.272 286 L C 0.533 177.423 176.870 0.033 0.000 1.157 286 L CA 0.433 55.322 54.840 0.081 0.000 0.889 286 L CB 0.028 42.161 42.059 0.122 0.000 1.158 286 L HN 0.384 nan 8.230 nan 0.000 0.473 287 T N 2.589 117.170 114.554 0.045 0.000 2.814 287 T HA 0.267 4.601 4.350 -0.027 0.000 0.297 287 T C 0.181 174.894 174.700 0.022 0.000 0.956 287 T CA 0.002 62.119 62.100 0.028 0.000 1.123 287 T CB 0.855 69.771 68.868 0.080 0.000 0.902 287 T HN 0.681 nan 8.240 nan 0.000 0.528 288 T N 2.614 117.153 114.554 -0.025 0.000 2.885 288 T HA 0.406 4.739 4.350 -0.027 0.000 0.322 288 T C -1.033 173.596 174.700 -0.118 0.000 1.387 288 T CA -0.881 61.199 62.100 -0.032 0.000 1.041 288 T CB 0.709 69.570 68.868 -0.010 0.000 1.287 288 T HN 0.297 nan 8.240 nan 0.000 0.491 289 I N 3.882 124.342 120.570 -0.183 0.000 2.483 289 I HA 0.216 4.370 4.170 -0.027 0.000 0.291 289 I C 0.884 176.749 176.117 -0.421 0.000 1.112 289 I CA 0.182 61.253 61.300 -0.383 0.000 1.350 289 I CB 0.127 37.640 38.000 -0.811 0.000 1.419 289 I HN 0.594 nan 8.210 nan 0.000 0.523 290 K N 6.706 126.892 120.400 -0.355 0.000 2.276 290 K HA 0.206 4.510 4.320 -0.027 0.000 0.283 290 K C -0.316 175.943 176.600 -0.569 0.000 1.044 290 K CA -0.389 55.659 56.287 -0.398 0.000 0.944 290 K CB 0.727 33.053 32.500 -0.290 0.000 1.012 290 K HN 0.525 nan 8.250 nan 0.000 0.472 291 Q N 2.839 122.136 119.800 -0.838 0.000 2.341 291 Q HA 0.074 4.397 4.340 -0.027 0.000 0.268 291 Q C -1.193 174.051 176.000 -1.259 0.000 1.013 291 Q CA -0.633 54.312 55.803 -1.430 0.000 0.798 291 Q CB 1.680 29.513 28.738 -1.509 0.000 1.253 291 Q HN 0.517 nan 8.270 nan 0.000 0.457 292 D N 3.207 123.228 120.400 -0.631 0.000 2.455 292 D HA 0.019 4.643 4.640 -0.027 0.000 0.234 292 D C 0.366 176.714 176.300 0.081 0.000 1.224 292 D CA -0.038 53.846 54.000 -0.194 0.000 0.999 292 D CB 0.133 40.956 40.800 0.039 0.000 1.072 292 D HN 0.395 nan 8.370 nan 0.000 0.514 293 F N 1.766 121.775 119.950 0.099 0.000 2.192 293 F HA -0.139 4.371 4.527 -0.027 0.000 0.301 293 F C 2.504 178.375 175.800 0.119 0.000 1.079 293 F CA 0.705 58.788 58.000 0.140 0.000 1.303 293 F CB -0.494 38.537 39.000 0.052 0.000 1.024 293 F HN 0.326 nan 8.300 nan 0.000 0.494 294 R N 0.004 120.642 120.500 0.229 0.000 2.073 294 R HA -0.171 4.153 4.340 -0.027 0.000 0.234 294 R C 2.250 178.624 176.300 0.124 0.000 1.134 294 R CA 1.352 57.536 56.100 0.141 0.000 0.952 294 R CB -0.740 29.609 30.300 0.083 0.000 0.850 294 R HN 0.261 nan 8.270 nan 0.000 0.433 295 L N 1.028 122.331 121.223 0.133 0.000 1.989 295 L HA -0.183 4.141 4.340 -0.027 0.000 0.211 295 L C 2.106 179.027 176.870 0.085 0.000 1.071 295 L CA 1.590 56.490 54.840 0.099 0.000 0.749 295 L CB -0.771 41.359 42.059 0.117 0.000 0.890 295 L HN 0.203 nan 8.230 nan 0.000 0.431 296 L N 0.019 121.338 121.223 0.160 0.000 2.043 296 L HA -0.076 4.248 4.340 -0.027 0.000 0.212 296 L C 2.264 179.184 176.870 0.083 0.000 1.075 296 L CA 2.129 57.026 54.840 0.097 0.000 0.752 296 L CB -1.561 40.680 42.059 0.304 0.000 0.891 296 L HN 0.357 nan 8.230 nan 0.000 0.432 297 G N -0.672 108.199 108.800 0.117 0.000 2.587 297 G HA2 -0.369 3.575 3.960 -0.027 0.000 0.217 297 G HA3 -0.369 3.575 3.960 -0.027 0.000 0.217 297 G C 1.288 176.211 174.900 0.039 0.000 1.240 297 G CA 0.955 46.099 45.100 0.074 0.000 0.794 297 G HN 0.674 nan 8.290 nan 0.000 0.580 298 Q N -0.260 119.562 119.800 0.036 0.000 2.112 298 Q HA -0.161 4.162 4.340 -0.027 0.000 0.206 298 Q C 2.335 178.339 176.000 0.006 0.000 0.987 298 Q CA 2.374 58.188 55.803 0.018 0.000 0.858 298 Q CB -1.209 27.540 28.738 0.018 0.000 0.905 298 Q HN 0.400 nan 8.270 nan 0.000 0.420 299 T N 1.496 116.050 114.554 0.000 0.000 2.622 299 T HA -0.175 4.159 4.350 -0.027 0.000 0.266 299 T C 2.214 176.906 174.700 -0.014 0.000 1.047 299 T CA 1.790 63.881 62.100 -0.014 0.000 1.159 299 T CB -0.516 68.330 68.868 -0.036 0.000 0.863 299 T HN 0.427 nan 8.240 nan 0.000 0.422 300 S N 1.310 117.002 115.700 -0.013 0.000 2.365 300 S HA -0.125 4.329 4.470 -0.027 0.000 0.225 300 S C 2.372 176.964 174.600 -0.014 0.000 1.039 300 S CA 1.231 59.422 58.200 -0.015 0.000 1.033 300 S CB -0.848 62.345 63.200 -0.012 0.000 0.887 300 S HN 0.316 nan 8.310 nan 0.000 0.447 301 V N 2.480 122.389 119.914 -0.008 0.000 2.295 301 V HA -0.190 3.914 4.120 -0.027 0.000 0.246 301 V C 2.229 178.318 176.094 -0.008 0.000 1.049 301 V CA 1.945 64.240 62.300 -0.008 0.000 1.024 301 V CB -0.768 31.053 31.823 -0.003 0.000 0.648 301 V HN 0.355 nan 8.190 nan 0.000 0.447 302 D N -0.218 120.179 120.400 -0.006 0.000 2.077 302 D HA -0.141 4.483 4.640 -0.027 0.000 0.196 302 D C 2.337 178.633 176.300 -0.007 0.000 0.986 302 D CA 1.137 55.133 54.000 -0.005 0.000 0.829 302 D CB -0.393 40.404 40.800 -0.005 0.000 0.983 302 D HN 0.189 nan 8.370 nan 0.000 0.453 303 R N 0.377 120.872 120.500 -0.008 0.000 2.200 303 R HA -0.133 4.191 4.340 -0.027 0.000 0.234 303 R C 2.093 178.388 176.300 -0.007 0.000 1.127 303 R CA 0.457 56.553 56.100 -0.007 0.000 0.989 303 R CB -0.324 29.972 30.300 -0.008 0.000 0.869 303 R HN 0.138 nan 8.270 nan 0.000 0.459 304 L N 0.830 122.046 121.223 -0.011 0.000 2.156 304 L HA -0.093 4.231 4.340 -0.027 0.000 0.208 304 L C 1.931 178.794 176.870 -0.010 0.000 1.095 304 L CA 1.398 56.229 54.840 -0.014 0.000 0.770 304 L CB -0.151 41.895 42.059 -0.022 0.000 0.914 304 L HN 0.139 nan 8.230 nan 0.000 0.439 305 L N -1.526 119.692 121.223 -0.009 0.000 2.007 305 L HA -0.192 4.132 4.340 -0.027 0.000 0.205 305 L C 2.537 179.405 176.870 -0.004 0.000 1.073 305 L CA 1.285 56.121 54.840 -0.007 0.000 0.744 305 L CB -0.946 41.109 42.059 -0.006 0.000 0.898 305 L HN 0.232 nan 8.230 nan 0.000 0.435 306 Q N -0.044 119.754 119.800 -0.003 0.000 2.156 306 Q HA -0.258 4.065 4.340 -0.027 0.000 0.211 306 Q C 2.345 178.345 176.000 -0.000 0.000 0.995 306 Q CA 1.698 57.500 55.803 -0.002 0.000 0.877 306 Q CB -0.139 28.598 28.738 -0.001 0.000 0.920 306 Q HN 0.352 nan 8.270 nan 0.000 0.416 307 L N 0.120 121.343 121.223 0.000 0.000 1.989 307 L HA -0.216 4.108 4.340 -0.027 0.000 0.211 307 L C 2.585 179.456 176.870 0.002 0.000 1.071 307 L CA 2.353 57.195 54.840 0.003 0.000 0.749 307 L CB -1.522 40.538 42.059 0.003 0.000 0.890 307 L HN 0.418 nan 8.230 nan 0.000 0.431 308 S N -0.437 115.262 115.700 -0.002 0.000 2.370 308 S HA -0.267 4.187 4.470 -0.027 0.000 0.226 308 S C 1.522 176.121 174.600 -0.001 0.000 1.033 308 S CA 0.982 59.180 58.200 -0.003 0.000 1.011 308 S CB -0.622 62.574 63.200 -0.006 0.000 0.852 308 S HN 0.549 nan 8.310 nan 0.000 0.457 309 Q N 1.186 120.985 119.800 -0.001 0.000 2.362 309 Q HA 0.280 4.604 4.340 -0.027 0.000 0.215 309 Q C 1.423 177.424 176.000 0.001 0.000 0.944 309 Q CA 0.204 56.007 55.803 -0.001 0.000 0.964 309 Q CB -0.753 27.984 28.738 -0.001 0.000 0.998 309 Q HN 0.829 nan 8.270 nan 0.000 0.488 310 G N 0.576 109.378 108.800 0.002 0.000 2.249 310 G HA2 -0.325 3.619 3.960 -0.027 0.000 0.269 310 G HA3 -0.325 3.619 3.960 -0.027 0.000 0.269 310 G C 0.321 175.224 174.900 0.004 0.000 0.979 310 G CA 0.207 45.309 45.100 0.004 0.000 0.644 310 G HN 0.337 nan 8.290 nan 0.000 0.546 311 Q N 0.501 120.303 119.800 0.003 0.000 2.318 311 Q HA 0.460 4.784 4.340 -0.027 0.000 0.270 311 Q C 1.107 177.110 176.000 0.005 0.000 1.237 311 Q CA 0.443 56.248 55.803 0.003 0.000 0.937 311 Q CB -0.033 28.706 28.738 0.002 0.000 1.375 311 Q HN 0.829 nan 8.270 nan 0.000 0.452 312 A N 3.578 126.401 122.820 0.006 0.000 3.377 312 A HA 0.016 4.320 4.320 -0.027 0.000 0.273 312 A C 0.354 177.942 177.584 0.007 0.000 2.138 312 A CA -0.009 52.032 52.037 0.007 0.000 1.508 312 A CB -0.605 18.399 19.000 0.007 0.000 0.806 312 A HN 0.397 nan 8.150 nan 0.000 0.576 313 V N 2.320 122.239 119.914 0.008 0.000 2.135 313 V HA 0.043 4.147 4.120 -0.027 0.000 0.287 313 V C 0.662 176.764 176.094 0.012 0.000 1.607 313 V CA 0.056 62.361 62.300 0.007 0.000 1.585 313 V CB -0.903 30.922 31.823 0.004 0.000 1.470 313 V HN 0.620 nan 8.190 nan 0.000 0.513 314 K N 1.468 121.876 120.400 0.013 0.000 2.090 314 K HA 0.687 4.991 4.320 -0.027 0.000 0.250 314 K C 0.994 177.605 176.600 0.019 0.000 1.004 314 K CA 0.269 56.567 56.287 0.018 0.000 0.919 314 K CB 1.283 33.792 32.500 0.016 0.000 1.045 314 K HN 0.568 nan 8.250 nan 0.000 0.471 315 G N 1.258 110.072 108.800 0.023 0.000 2.593 315 G HA2 -0.300 3.644 3.960 -0.027 0.000 0.237 315 G HA3 -0.300 3.644 3.960 -0.027 0.000 0.237 315 G C -0.580 174.335 174.900 0.026 0.000 1.312 315 G CA 0.058 45.171 45.100 0.021 0.000 0.896 315 G HN 0.801 nan 8.290 nan 0.000 0.574 316 N N 0.496 119.210 118.700 0.023 0.000 2.476 316 N HA 0.591 5.315 4.740 -0.027 0.000 0.275 316 N C -0.267 175.253 175.510 0.017 0.000 1.190 316 N CA 0.474 53.539 53.050 0.024 0.000 0.977 316 N CB 1.024 39.527 38.487 0.027 0.000 1.200 316 N HN 1.130 nan 8.380 nan 0.000 0.515 317 Q N 1.160 120.965 119.800 0.009 0.000 2.487 317 Q HA 0.333 4.657 4.340 -0.027 0.000 0.234 317 Q C -1.875 174.110 176.000 -0.026 0.000 0.828 317 Q CA -0.586 55.214 55.803 -0.005 0.000 0.907 317 Q CB 0.252 28.983 28.738 -0.012 0.000 1.462 317 Q HN 0.378 nan 8.270 nan 0.000 0.442 318 L N 3.362 124.580 121.223 -0.009 0.000 2.313 318 L HA 0.373 4.697 4.340 -0.027 0.000 0.282 318 L C -0.384 176.453 176.870 -0.055 0.000 1.092 318 L CA 0.095 54.927 54.840 -0.013 0.000 0.831 318 L CB 0.597 42.689 42.059 0.055 0.000 1.159 318 L HN 0.632 nan 8.230 nan 0.000 0.442 319 L N 6.080 127.201 121.223 -0.169 0.000 2.399 319 L HA 0.541 4.864 4.340 -0.027 0.000 0.266 319 L C -1.994 174.881 176.870 0.009 0.000 1.114 319 L CA -1.728 52.977 54.840 -0.226 0.000 0.804 319 L CB 1.200 42.819 42.059 -0.732 0.000 1.146 319 L HN 0.438 nan 8.230 nan 0.000 0.451 320 P HA 0.311 nan 4.420 nan 0.000 0.285 320 P C -0.949 176.500 177.300 0.248 0.000 1.269 320 P CA -0.373 62.834 63.100 0.179 0.000 0.844 320 P CB 2.207 33.956 31.700 0.081 0.000 1.094 321 V N -1.238 118.742 119.914 0.110 0.000 3.234 321 V HA 0.938 5.042 4.120 -0.027 0.000 0.317 321 V C -0.430 175.617 176.094 -0.079 0.000 1.147 321 V CA -0.943 61.327 62.300 -0.050 0.000 1.037 321 V CB 1.274 33.009 31.823 -0.147 0.000 1.148 321 V HN 0.791 nan 8.190 nan 0.000 0.455 322 S N 0.839 116.451 115.700 -0.147 0.000 2.535 322 S HA 0.609 5.063 4.470 -0.027 0.000 0.272 322 S C -1.233 173.271 174.600 -0.160 0.000 1.149 322 S CA -0.585 57.540 58.200 -0.125 0.000 0.888 322 S CB 1.379 64.516 63.200 -0.105 0.000 1.110 322 S HN 1.527 nan 8.310 nan 0.000 0.463 323 L N 3.277 124.413 121.223 -0.146 0.000 2.278 323 L HA 0.654 4.977 4.340 -0.027 0.000 0.287 323 L C -0.244 176.530 176.870 -0.159 0.000 1.072 323 L CA -0.436 54.306 54.840 -0.164 0.000 0.819 323 L CB 0.893 42.842 42.059 -0.183 0.000 1.176 323 L HN 0.795 nan 8.230 nan 0.000 0.435 324 V N 3.850 123.677 119.914 -0.145 0.000 2.364 324 V HA 0.527 4.630 4.120 -0.027 0.000 0.272 324 V C 0.108 176.136 176.094 -0.110 0.000 1.036 324 V CA -0.694 61.533 62.300 -0.121 0.000 0.880 324 V CB 0.885 32.642 31.823 -0.111 0.000 0.991 324 V HN 0.836 nan 8.190 nan 0.000 0.460 325 K N 5.538 125.870 120.400 -0.112 0.000 2.249 325 K HA 0.619 4.922 4.320 -0.027 0.000 0.280 325 K C 0.192 176.768 176.600 -0.041 0.000 1.033 325 K CA -0.031 56.203 56.287 -0.089 0.000 0.946 325 K CB 1.017 33.456 32.500 -0.101 0.000 1.005 325 K HN 0.950 nan 8.250 nan 0.000 0.469 326 R N 1.965 122.461 120.500 -0.007 0.000 3.519 326 R HA 0.296 4.620 4.340 -0.027 0.000 0.158 326 R C 0.063 176.378 176.300 0.025 0.000 0.806 326 R CA -0.794 55.308 56.100 0.002 0.000 0.586 326 R CB 0.192 30.490 30.300 -0.003 0.000 1.172 326 R HN 0.300 nan 8.270 nan 0.000 0.358 327 K N 0.938 121.356 120.400 0.031 0.000 2.358 327 K HA 0.101 4.405 4.320 -0.027 0.000 0.197 327 K C 1.120 177.747 176.600 0.046 0.000 1.025 327 K CA 0.719 57.029 56.287 0.037 0.000 1.104 327 K CB 0.716 33.234 32.500 0.031 0.000 0.855 327 K HN 0.526 nan 8.250 nan 0.000 0.531 328 T N -1.543 113.043 114.554 0.053 0.000 3.057 328 T HA -0.033 4.301 4.350 -0.027 0.000 0.254 328 T C 1.092 175.818 174.700 0.044 0.000 1.094 328 T CA 0.030 62.158 62.100 0.047 0.000 1.088 328 T CB -0.239 68.659 68.868 0.050 0.000 0.934 328 T HN 0.066 nan 8.240 nan 0.000 0.497 329 T N 0.868 115.465 114.554 0.072 0.000 2.837 329 T HA 0.742 5.076 4.350 -0.027 0.000 0.285 329 T C -0.702 174.050 174.700 0.087 0.000 0.984 329 T CA -0.849 61.297 62.100 0.077 0.000 1.049 329 T CB 1.810 70.781 68.868 0.171 0.000 0.947 329 T HN 0.401 nan 8.240 nan 0.000 0.472 330 L N 1.229 122.502 121.223 0.083 0.000 2.866 330 L HA 0.658 4.982 4.340 -0.027 0.000 0.262 330 L C -0.253 176.672 176.870 0.092 0.000 0.986 330 L CA -0.878 54.004 54.840 0.071 0.000 0.925 330 L CB 1.092 43.183 42.059 0.054 0.000 1.484 330 L HN 1.060 nan 8.230 nan 0.000 0.414 331 A N 2.749 125.564 122.820 -0.009 0.000 2.504 331 A HA 0.427 4.730 4.320 -0.027 0.000 0.242 331 A C -2.481 175.002 177.584 -0.168 0.000 1.100 331 A CA -0.358 51.585 52.037 -0.156 0.000 0.786 331 A CB -0.869 18.054 19.000 -0.127 0.000 1.050 331 A HN 0.477 nan 8.150 nan 0.000 0.512 332 P HA 0.083 nan 4.420 nan 0.000 0.276 332 P C 0.377 177.638 177.300 -0.065 0.000 1.253 332 P CA -0.323 62.677 63.100 -0.168 0.000 0.766 332 P CB 0.398 31.941 31.700 -0.261 0.000 0.845 333 N N 2.050 120.749 118.700 -0.002 0.000 2.724 333 N HA -0.137 4.587 4.740 -0.027 0.000 0.198 333 N C 0.648 176.151 175.510 -0.011 0.000 1.301 333 N CA 0.849 53.897 53.050 -0.003 0.000 0.942 333 N CB -0.427 38.066 38.487 0.012 0.000 1.033 333 N HN 0.280 nan 8.380 nan 0.000 0.447 334 T N -0.942 113.599 114.554 -0.021 0.000 3.324 334 T HA 0.096 4.430 4.350 -0.027 0.000 0.250 334 T C -0.123 174.561 174.700 -0.028 0.000 1.059 334 T CA -0.139 61.949 62.100 -0.020 0.000 0.951 334 T CB -0.187 68.670 68.868 -0.020 0.000 1.030 334 T HN 0.359 nan 8.240 nan 0.000 0.576 335 Q N -0.164 119.617 119.800 -0.031 0.000 2.268 335 Q HA 0.465 4.789 4.340 -0.027 0.000 0.266 335 Q C 0.374 176.360 176.000 -0.022 0.000 1.006 335 Q CA -0.394 55.391 55.803 -0.030 0.000 0.824 335 Q CB 1.949 30.660 28.738 -0.045 0.000 1.306 335 Q HN 0.163 nan 8.270 nan 0.000 0.424 336 T N 1.047 115.591 114.554 -0.016 0.000 13.429 336 T HA -0.334 4.000 4.350 -0.027 0.000 0.419 336 T C -0.148 174.548 174.700 -0.008 0.000 1.442 336 T CA 2.203 64.297 62.100 -0.011 0.000 2.357 336 T CB -1.225 67.636 68.868 -0.010 0.000 2.797 336 T HN 2.130 nan 8.240 nan 0.000 0.566 337 A N -1.306 121.510 122.820 -0.007 0.000 2.435 337 A HA 0.450 4.753 4.320 -0.027 0.000 0.686 337 A C 0.934 178.517 177.584 -0.002 0.000 0.138 337 A CA 0.617 52.651 52.037 -0.003 0.000 0.025 337 A CB -1.395 17.603 19.000 -0.003 0.000 3.974 337 A HN 2.147 nan 8.150 nan 0.000 0.548 338 S N -0.825 114.875 115.700 0.000 0.000 3.533 338 S HA -0.146 4.307 4.470 -0.027 0.000 0.347 338 S C -1.225 173.376 174.600 0.002 0.000 1.101 338 S CA 1.425 59.626 58.200 0.002 0.000 1.009 338 S CB -1.713 61.487 63.200 0.001 0.000 0.916 338 S HN 1.445 nan 8.310 nan 0.000 0.496 339 P HA 0.309 nan 4.420 nan 0.000 0.272 339 P C 0.930 178.234 177.300 0.006 0.000 1.230 339 P CA -0.062 63.040 63.100 0.002 0.000 0.788 339 P CB 0.792 32.492 31.700 0.001 0.000 0.949 340 R N 2.726 123.230 120.500 0.007 0.000 1.470 340 R HA -0.364 3.959 4.340 -0.027 0.000 0.079 340 R C 1.858 178.163 176.300 0.008 0.000 0.955 340 R CA 3.552 59.658 56.100 0.009 0.000 0.737 340 R CB -2.521 27.787 30.300 0.013 0.000 0.546 340 R HN 0.541 nan 8.270 nan 0.000 0.339 341 A N 0.038 122.863 122.820 0.009 0.000 1.883 341 A HA -0.328 3.976 4.320 -0.027 0.000 0.226 341 A C 2.288 179.876 177.584 0.006 0.000 1.512 341 A CA 2.863 54.905 52.037 0.008 0.000 0.738 341 A CB -1.304 17.700 19.000 0.008 0.000 0.848 341 A HN 0.632 nan 8.150 nan 0.000 0.477 342 L N -1.471 119.755 121.223 0.004 0.000 2.223 342 L HA -0.416 3.907 4.340 -0.027 0.000 0.230 342 L C 2.797 179.668 176.870 0.003 0.000 1.110 342 L CA 2.323 57.165 54.840 0.003 0.000 0.834 342 L CB -0.537 41.524 42.059 0.002 0.000 0.915 342 L HN 0.594 nan 8.230 nan 0.000 0.450 343 A N -0.641 122.181 122.820 0.003 0.000 1.859 343 A HA -0.285 4.019 4.320 -0.027 0.000 0.217 343 A C 1.355 178.940 177.584 0.003 0.000 1.198 343 A CA 2.179 54.217 52.037 0.003 0.000 0.629 343 A CB -0.814 18.188 19.000 0.003 0.000 0.830 343 A HN 0.577 nan 8.150 nan 0.000 0.446 344 D N -0.470 119.932 120.400 0.004 0.000 2.856 344 D HA 0.325 4.948 4.640 -0.027 0.000 0.242 344 D C 0.794 177.096 176.300 0.004 0.000 1.226 344 D CA 0.477 54.479 54.000 0.004 0.000 0.855 344 D CB 0.290 41.093 40.800 0.005 0.000 1.065 344 D HN 0.285 nan 8.370 nan 0.000 0.462 345 S N -1.147 114.555 115.700 0.003 0.000 2.769 345 S HA 0.144 4.598 4.470 -0.027 0.000 0.258 345 S C 1.717 176.318 174.600 0.002 0.000 1.080 345 S CA -0.320 57.881 58.200 0.002 0.000 0.943 345 S CB 0.453 63.655 63.200 0.002 0.000 0.893 345 S HN 0.184 nan 8.310 nan 0.000 0.490 346 L N 1.621 122.845 121.223 0.002 0.000 2.093 346 L HA 0.008 4.332 4.340 -0.027 0.000 0.208 346 L C 2.467 179.338 176.870 0.001 0.000 1.085 346 L CA 0.853 55.694 54.840 0.001 0.000 0.755 346 L CB -0.387 41.673 42.059 0.001 0.000 0.904 346 L HN 0.295 nan 8.230 nan 0.000 0.435 347 M N -0.609 118.992 119.600 0.002 0.000 2.108 347 M HA -0.280 4.184 4.480 -0.027 0.000 0.261 347 M C 2.283 178.584 176.300 0.001 0.000 1.066 347 M CA 1.874 57.175 55.300 0.001 0.000 1.107 347 M CB -0.810 31.791 32.600 0.002 0.000 1.356 347 M HN 0.293 nan 8.290 nan 0.000 0.406 348 Q N -0.007 119.794 119.800 0.001 0.000 2.020 348 Q HA -0.105 4.219 4.340 -0.027 0.000 0.202 348 Q C 2.137 178.137 176.000 0.001 0.000 0.982 348 Q CA 1.354 57.157 55.803 0.001 0.000 0.838 348 Q CB -0.182 28.557 28.738 0.001 0.000 0.899 348 Q HN 0.426 nan 8.270 nan 0.000 0.423 349 L N -0.223 121.001 121.223 0.001 0.000 2.079 349 L HA -0.243 4.081 4.340 -0.027 0.000 0.210 349 L C 2.191 179.061 176.870 0.000 0.000 1.081 349 L CA 1.166 56.007 54.840 0.001 0.000 0.752 349 L CB -0.362 41.697 42.059 0.001 0.000 0.896 349 L HN 0.324 nan 8.230 nan 0.000 0.433 350 A N -0.269 122.552 122.820 0.001 0.000 1.877 350 A HA -0.268 4.036 4.320 -0.027 0.000 0.216 350 A C 2.233 179.817 177.584 0.000 0.000 1.186 350 A CA 1.734 53.771 52.037 0.000 0.000 0.620 350 A CB -0.514 18.486 19.000 0.000 0.000 0.822 350 A HN 0.340 nan 8.150 nan 0.000 0.443 351 R N -0.853 119.648 120.500 0.000 0.000 2.328 351 R HA -0.025 4.298 4.340 -0.027 0.000 0.207 351 R C 1.802 178.102 176.300 0.000 0.000 1.056 351 R CA 1.216 57.316 56.100 0.000 0.000 1.016 351 R CB -0.283 30.018 30.300 0.000 0.000 0.872 351 R HN 0.556 nan 8.270 nan 0.000 0.471 352 Q N -1.704 118.096 119.800 0.000 0.000 2.304 352 Q HA 0.122 4.445 4.340 -0.027 0.000 0.204 352 Q C 1.820 177.820 176.000 0.000 0.000 0.936 352 Q CA 0.858 56.661 55.803 0.000 0.000 0.878 352 Q CB -0.092 28.646 28.738 0.000 0.000 0.983 352 Q HN 0.123 nan 8.270 nan 0.000 0.516 353 V N 0.748 120.662 119.914 0.000 0.000 2.407 353 V HA -0.253 3.851 4.120 -0.027 0.000 0.248 353 V C 2.086 178.180 176.094 0.000 0.000 1.055 353 V CA 2.173 64.473 62.300 0.000 0.000 1.049 353 V CB -0.526 31.297 31.823 0.000 0.000 0.662 353 V HN 0.594 nan 8.190 nan 0.000 0.455 354 S N -0.070 115.630 115.700 0.000 0.000 2.382 354 S HA -0.245 4.208 4.470 -0.027 0.000 0.228 354 S C 2.033 176.633 174.600 -0.000 0.000 1.027 354 S CA 1.221 59.421 58.200 -0.000 0.000 0.991 354 S CB -0.581 62.619 63.200 -0.000 0.000 0.823 354 S HN 0.456 nan 8.310 nan 0.000 0.469 355 R N 1.405 121.905 120.500 -0.000 0.000 2.249 355 R HA 0.080 4.404 4.340 -0.027 0.000 0.230 355 R C 1.604 177.904 176.300 -0.000 0.000 1.121 355 R CA 0.865 56.965 56.100 -0.000 0.000 0.997 355 R CB -0.942 29.358 30.300 -0.000 0.000 0.867 355 R HN 0.717 nan 8.270 nan 0.000 0.465 356 L N -1.290 119.933 121.223 -0.000 0.000 2.685 356 L HA 0.357 4.681 4.340 -0.027 0.000 0.233 356 L C -0.268 176.602 176.870 -0.000 0.000 1.173 356 L CA 0.052 54.892 54.840 -0.000 0.000 0.961 356 L CB -0.453 41.606 42.059 0.000 0.000 1.217 356 L HN 0.141 nan 8.230 nan 0.000 0.478 357 E N 0.000 120.200 120.200 -0.000 0.000 2.725 357 E HA 0.000 4.334 4.350 -0.027 0.000 0.291 357 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 357 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440