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 1qw4_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.116 176.000 0.194 0.000 1.003 77 Q CA 0.000 55.828 55.803 0.042 0.000 1.022 77 Q CB 0.000 28.558 28.738 -0.299 0.000 1.108 78 Y N -1.016 119.348 120.300 0.107 0.000 2.301 78 Y HA 0.616 5.166 4.550 0.000 0.000 0.328 78 Y C -0.252 175.686 175.900 0.063 0.000 1.242 78 Y CA -0.949 57.197 58.100 0.077 0.000 1.323 78 Y CB 0.304 38.759 38.460 -0.009 0.000 1.266 78 Y HN 0.176 nan 8.280 nan 0.000 0.527 79 V N 4.699 124.789 119.914 0.292 0.000 2.383 79 V HA 0.332 4.452 4.120 0.000 0.000 0.275 79 V C 0.211 176.429 176.094 0.207 0.000 1.036 79 V CA -0.906 61.471 62.300 0.127 0.000 0.889 79 V CB 0.756 32.477 31.823 -0.170 0.000 0.985 79 V HN 0.776 nan 8.190 nan 0.000 0.459 80 R N 4.346 124.988 120.500 0.237 0.000 2.401 80 R HA 0.453 4.793 4.340 0.000 0.000 0.299 80 R C -0.748 175.581 176.300 0.048 0.000 1.064 80 R CA 0.248 56.457 56.100 0.183 0.000 1.000 80 R CB 0.286 30.700 30.300 0.189 0.000 0.973 80 R HN 0.696 nan 8.270 nan 0.000 0.438 81 I N 3.760 124.304 120.570 -0.043 0.000 2.465 81 I HA 0.331 4.501 4.170 0.000 0.000 0.291 81 I C -0.608 175.410 176.117 -0.166 0.000 1.014 81 I CA -0.722 60.532 61.300 -0.077 0.000 1.093 81 I CB 1.716 39.671 38.000 -0.075 0.000 1.267 81 I HN 0.547 nan 8.210 nan 0.000 0.431 82 K N 5.696 126.014 120.400 -0.135 0.000 2.318 82 K HA 0.376 4.697 4.320 0.000 0.000 0.249 82 K C -1.051 175.424 176.600 -0.208 0.000 0.942 82 K CA -0.742 55.382 56.287 -0.271 0.000 0.808 82 K CB 1.624 33.827 32.500 -0.496 0.000 1.189 82 K HN 0.497 nan 8.250 nan 0.000 0.428 83 N N 3.648 122.204 118.700 -0.241 0.000 2.469 83 N HA 0.107 4.847 4.740 0.000 0.000 0.253 83 N C -0.277 175.162 175.510 -0.119 0.000 0.970 83 N CA -0.344 52.678 53.050 -0.047 0.000 0.940 83 N CB 0.472 38.947 38.487 -0.019 0.000 1.128 83 N HN 0.639 nan 8.380 nan 0.000 0.503 84 W N 2.396 123.765 121.300 0.115 0.000 2.699 84 W HA 0.205 4.866 4.660 0.000 0.000 0.249 84 W C 2.052 178.595 176.519 0.040 0.000 1.280 84 W CA 0.167 57.568 57.345 0.094 0.000 1.345 84 W CB 0.157 29.706 29.460 0.148 0.000 1.128 84 W HN 0.661 nan 8.180 nan 0.000 0.642 85 G N -0.555 108.359 108.800 0.190 0.000 2.453 85 G HA2 -0.141 3.819 3.960 0.000 0.000 0.215 85 G HA3 -0.141 3.819 3.960 0.000 0.000 0.215 85 G C 1.472 176.372 174.900 -0.000 0.000 1.147 85 G CA 1.200 46.302 45.100 0.004 0.000 0.802 85 G HN 0.277 nan 8.290 nan 0.000 0.535 86 S N -1.784 113.915 115.700 -0.001 0.000 2.520 86 S HA 0.393 4.863 4.470 0.000 0.000 0.219 86 S C 1.826 176.380 174.600 -0.076 0.000 1.028 86 S CA 1.059 59.238 58.200 -0.034 0.000 0.921 86 S CB 0.463 63.643 63.200 -0.032 0.000 0.844 86 S HN 1.431 nan 8.310 nan 0.000 0.495 87 G N 1.345 110.071 108.800 -0.123 0.000 2.184 87 G HA2 -0.281 3.679 3.960 0.000 0.000 0.264 87 G HA3 -0.281 3.679 3.960 0.000 0.000 0.264 87 G C -0.140 174.626 174.900 -0.223 0.000 0.975 87 G CA 0.363 45.340 45.100 -0.205 0.000 0.642 87 G HN 0.614 nan 8.290 nan 0.000 0.536 88 E N 0.575 120.665 120.200 -0.183 0.000 2.384 88 E HA 0.322 4.673 4.350 0.000 0.000 0.266 88 E C 0.253 176.702 176.600 -0.252 0.000 1.012 88 E CA -0.083 56.203 56.400 -0.190 0.000 0.901 88 E CB 0.248 29.859 29.700 -0.149 0.000 0.967 88 E HN 0.246 nan 8.360 nan 0.000 0.435 89 I N 5.285 125.689 120.570 -0.276 0.000 2.441 89 I HA 0.367 4.537 4.170 0.000 0.000 0.295 89 I C 0.180 176.032 176.117 -0.443 0.000 0.994 89 I CA -0.615 60.480 61.300 -0.341 0.000 1.144 89 I CB 1.176 38.979 38.000 -0.327 0.000 1.314 89 I HN 0.441 nan 8.210 nan 0.000 0.445 90 L N 5.076 126.009 121.223 -0.484 0.000 2.333 90 L HA 0.487 4.827 4.340 0.000 0.000 0.263 90 L C -0.788 175.797 176.870 -0.475 0.000 1.014 90 L CA -0.748 53.757 54.840 -0.559 0.000 0.820 90 L CB 2.428 44.032 42.059 -0.759 0.000 1.352 90 L HN 0.543 nan 8.230 nan 0.000 0.421 91 H N 0.396 119.338 119.070 -0.214 0.000 2.708 91 H HA 0.183 4.740 4.556 0.000 0.000 0.320 91 H C -1.167 174.246 175.328 0.142 0.000 0.991 91 H CA -0.699 55.225 56.048 -0.207 0.000 1.243 91 H CB 1.821 31.225 29.762 -0.597 0.000 1.446 91 H HN 0.381 nan 8.280 nan 0.000 0.502 92 D N 2.901 123.513 120.400 0.353 0.000 2.347 92 D HA 0.023 4.663 4.640 0.000 0.000 0.235 92 D C 0.785 177.223 176.300 0.229 0.000 1.149 92 D CA -0.087 54.118 54.000 0.343 0.000 0.850 92 D CB 1.289 42.276 40.800 0.312 0.000 1.061 92 D HN 0.723 nan 8.370 nan 0.000 0.487 93 T N 1.114 115.707 114.554 0.066 0.000 2.978 93 T HA -0.052 4.298 4.350 0.000 0.000 0.248 93 T C 1.892 176.334 174.700 -0.430 0.000 1.018 93 T CA -0.250 61.709 62.100 -0.236 0.000 1.026 93 T CB 0.028 68.865 68.868 -0.052 0.000 1.032 93 T HN 0.253 nan 8.240 nan 0.000 0.485 94 L N 3.339 124.446 121.223 -0.193 0.000 2.187 94 L HA -0.130 4.210 4.340 0.000 0.000 0.213 94 L C 2.480 179.155 176.870 -0.326 0.000 1.100 94 L CA 1.854 56.591 54.840 -0.172 0.000 0.765 94 L CB -0.990 41.027 42.059 -0.070 0.000 0.904 94 L HN 0.590 nan 8.230 nan 0.000 0.437 95 H N -2.475 116.179 119.070 -0.693 0.000 2.543 95 H HA -0.167 4.389 4.556 0.000 0.000 0.286 95 H C 1.733 176.767 175.328 -0.489 0.000 1.037 95 H CA 1.719 57.052 56.048 -1.191 0.000 1.250 95 H CB -1.079 27.993 29.762 -1.150 0.000 1.373 95 H HN 0.615 nan 8.280 nan 0.000 0.580 96 H N 1.140 119.735 119.070 -0.791 0.000 2.387 96 H HA -0.032 4.524 4.556 0.000 0.000 0.299 96 H C 1.460 176.630 175.328 -0.262 0.000 1.090 96 H CA 0.990 56.724 56.048 -0.523 0.000 1.332 96 H CB 0.299 29.819 29.762 -0.404 0.000 1.386 96 H HN 0.255 nan 8.280 nan 0.000 0.516 97 K N 0.981 121.341 120.400 -0.068 0.000 2.589 97 K HA 0.108 4.428 4.320 0.000 0.000 0.192 97 K C 0.328 176.934 176.600 0.011 0.000 1.029 97 K CA 0.130 56.411 56.287 -0.010 0.000 1.031 97 K CB 0.287 32.796 32.500 0.015 0.000 0.821 97 K HN 0.222 nan 8.250 nan 0.000 0.502 98 A N 0.540 123.350 122.820 -0.016 0.000 2.445 98 A HA 0.162 4.482 4.320 0.000 0.000 0.242 98 A C 0.780 178.386 177.584 0.036 0.000 1.075 98 A CA -0.131 51.930 52.037 0.040 0.000 0.777 98 A CB 0.197 19.219 19.000 0.036 0.000 1.013 98 A HN 0.288 nan 8.150 nan 0.000 0.493 99 T N 1.459 116.038 114.554 0.042 0.000 4.776 99 T HA 0.187 4.537 4.350 0.000 0.000 0.241 99 T C 1.350 176.082 174.700 0.053 0.000 0.809 99 T CA 0.411 62.536 62.100 0.042 0.000 1.951 99 T CB -0.500 68.381 68.868 0.021 0.000 1.929 99 T HN 0.683 nan 8.240 nan 0.000 0.316 100 S N 1.339 117.071 115.700 0.053 0.000 2.695 100 S HA 0.077 4.547 4.470 0.000 0.000 0.250 100 S C 0.015 174.669 174.600 0.091 0.000 1.355 100 S CA -0.333 57.903 58.200 0.059 0.000 0.965 100 S CB -0.244 62.982 63.200 0.043 0.000 0.987 100 S HN 0.454 nan 8.310 nan 0.000 0.576 101 D N -0.166 120.286 120.400 0.087 0.000 2.341 101 D HA 0.390 5.030 4.640 0.000 0.000 0.245 101 D C -0.116 176.288 176.300 0.173 0.000 1.106 101 D CA -0.143 53.928 54.000 0.119 0.000 0.905 101 D CB 0.322 41.169 40.800 0.079 0.000 1.202 101 D HN 0.212 nan 8.370 nan 0.000 0.426 102 F N 0.235 120.210 119.950 0.042 0.000 2.192 102 F HA 0.117 4.644 4.527 0.000 0.000 0.269 102 F C 1.985 177.814 175.800 0.049 0.000 0.946 102 F CA -0.181 57.848 58.000 0.048 0.000 1.139 102 F CB -0.030 39.011 39.000 0.068 0.000 1.877 102 F HN 0.223 nan 8.300 nan 0.000 0.571 103 T N -0.064 114.227 114.554 -0.439 0.000 2.809 103 T HA -0.029 4.321 4.350 0.000 0.000 0.260 103 T C 0.772 175.477 174.700 0.009 0.000 1.039 103 T CA 0.779 62.722 62.100 -0.262 0.000 1.141 103 T CB -0.697 67.951 68.868 -0.367 0.000 0.869 103 T HN 0.378 nan 8.240 nan 0.000 0.437 104 C N 2.905 122.300 119.300 0.158 0.000 2.662 104 C HA 0.336 4.796 4.460 0.000 0.000 0.420 104 C C 1.236 176.289 174.990 0.104 0.000 1.314 104 C CA -1.086 58.013 59.018 0.136 0.000 1.963 104 C CB 0.000 27.845 27.740 0.175 0.000 2.686 104 C HN 0.462 nan 8.230 nan 0.000 0.609 105 K N 1.202 121.644 120.400 0.070 0.000 2.583 105 K HA 0.199 4.519 4.320 0.000 0.000 0.266 105 K C 1.380 178.012 176.600 0.055 0.000 1.037 105 K CA 0.082 56.401 56.287 0.054 0.000 0.996 105 K CB 0.236 32.759 32.500 0.038 0.000 1.307 105 K HN 0.787 nan 8.250 nan 0.000 0.502 106 S N -0.088 115.638 115.700 0.042 0.000 2.458 106 S HA 0.003 4.473 4.470 0.000 0.000 0.223 106 S C 1.072 175.691 174.600 0.032 0.000 1.019 106 S CA 0.601 58.824 58.200 0.037 0.000 0.937 106 S CB 0.033 63.251 63.200 0.030 0.000 0.788 106 S HN 0.427 nan 8.310 nan 0.000 0.511 107 K N 0.328 120.746 120.400 0.028 0.000 2.447 107 K HA 0.402 4.722 4.320 0.000 0.000 0.205 107 K C -0.130 176.485 176.600 0.024 0.000 1.059 107 K CA -0.082 56.219 56.287 0.023 0.000 1.065 107 K CB 1.102 33.613 32.500 0.018 0.000 0.885 107 K HN 0.239 nan 8.250 nan 0.000 0.545 108 S N -0.188 115.531 115.700 0.030 0.000 2.661 108 S HA 0.517 4.987 4.470 0.000 0.000 0.285 108 S C -1.787 172.838 174.600 0.043 0.000 1.138 108 S CA -0.654 57.564 58.200 0.031 0.000 0.855 108 S CB 1.885 65.102 63.200 0.028 0.000 1.136 108 S HN 0.245 nan 8.310 nan 0.000 0.484 109 C N 3.717 123.043 119.300 0.043 0.000 2.432 109 C HA 0.612 5.072 4.460 0.000 0.000 0.334 109 C C -0.260 174.766 174.990 0.060 0.000 1.155 109 C CA -0.620 58.433 59.018 0.059 0.000 1.335 109 C CB -0.680 27.089 27.740 0.049 0.000 1.964 109 C HN 0.831 nan 8.230 nan 0.000 0.444 110 L N 5.302 126.569 121.223 0.073 0.000 3.062 110 L HA 0.357 4.697 4.340 0.000 0.000 0.255 110 L C 1.808 178.733 176.870 0.091 0.000 1.274 110 L CA 0.166 55.043 54.840 0.063 0.000 1.047 110 L CB -0.277 41.802 42.059 0.034 0.000 1.402 110 L HN 0.884 nan 8.230 nan 0.000 0.550 111 G N 0.693 109.568 108.800 0.126 0.000 2.470 111 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 111 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 111 G C 1.470 176.479 174.900 0.181 0.000 1.121 111 G CA 1.073 46.280 45.100 0.179 0.000 0.766 111 G HN 0.530 nan 8.290 nan 0.000 0.553 112 S N -0.068 115.717 115.700 0.141 0.000 2.634 112 S HA 0.341 4.811 4.470 0.000 0.000 0.221 112 S C 0.593 175.277 174.600 0.140 0.000 0.952 112 S CA -0.605 57.687 58.200 0.153 0.000 0.930 112 S CB -0.088 63.179 63.200 0.113 0.000 0.780 112 S HN 0.005 nan 8.310 nan 0.000 0.498 113 I N 2.581 123.221 120.570 0.117 0.000 2.371 113 I HA 0.230 4.400 4.170 0.000 0.000 0.290 113 I C 1.551 177.736 176.117 0.115 0.000 1.028 113 I CA -0.180 61.171 61.300 0.084 0.000 1.345 113 I CB 0.574 38.595 38.000 0.034 0.000 1.407 113 I HN 0.303 nan 8.210 nan 0.000 0.501 114 M N 4.912 124.584 119.600 0.122 0.000 2.064 114 M HA -0.132 4.348 4.480 0.000 0.000 0.260 114 M C 0.269 176.568 176.300 -0.002 0.000 1.073 114 M CA 1.858 57.254 55.300 0.160 0.000 1.124 114 M CB -0.374 32.321 32.600 0.158 0.000 1.326 114 M HN 0.537 nan 8.290 nan 0.000 0.410 115 N N 1.244 119.898 118.700 -0.077 0.000 3.112 115 N HA 0.230 4.970 4.740 0.000 0.000 0.270 115 N C -2.449 173.012 175.510 -0.082 0.000 1.385 115 N CA -0.987 51.958 53.050 -0.176 0.000 0.986 115 N CB 0.399 38.739 38.487 -0.245 0.000 1.261 115 N HN 0.207 nan 8.380 nan 0.000 0.495 116 P HA 0.123 nan 4.420 nan 0.000 0.277 116 P C 0.070 177.347 177.300 -0.038 0.000 1.240 116 P CA -0.390 62.671 63.100 -0.066 0.000 0.798 116 P CB 1.819 33.435 31.700 -0.140 0.000 0.979 117 K N 0.598 120.973 120.400 -0.042 0.000 2.281 117 K HA -0.098 4.222 4.320 0.000 0.000 0.203 117 K C 1.935 178.530 176.600 -0.008 0.000 1.046 117 K CA 1.767 58.042 56.287 -0.019 0.000 0.938 117 K CB -0.258 32.224 32.500 -0.030 0.000 0.737 117 K HN 0.547 nan 8.250 nan 0.000 0.458 118 S N 0.219 115.877 115.700 -0.071 0.000 2.481 118 S HA -0.052 4.418 4.470 0.000 0.000 0.231 118 S C 1.468 176.088 174.600 0.035 0.000 0.996 118 S CA 0.650 58.796 58.200 -0.089 0.000 0.942 118 S CB 0.060 63.061 63.200 -0.331 0.000 0.768 118 S HN 0.076 nan 8.310 nan 0.000 0.520 119 L N 1.372 122.658 121.223 0.105 0.000 2.693 119 L HA 0.431 4.771 4.340 0.000 0.000 0.235 119 L C 0.199 177.383 176.870 0.522 0.000 1.127 119 L CA 0.506 55.532 54.840 0.310 0.000 0.914 119 L CB -0.110 42.124 42.059 0.292 0.000 1.193 119 L HN 0.234 nan 8.230 nan 0.000 0.502 120 T N -0.262 114.508 114.554 0.360 0.000 2.859 120 T HA 0.523 4.873 4.350 0.000 0.000 0.281 120 T C -0.197 174.553 174.700 0.082 0.000 1.005 120 T CA -0.437 61.829 62.100 0.277 0.000 1.025 120 T CB 2.278 71.225 68.868 0.133 0.000 0.977 120 T HN -0.124 nan 8.240 nan 0.000 0.458 121 R N 1.586 122.092 120.500 0.009 0.000 2.487 121 R HA 0.531 4.871 4.340 0.000 0.000 0.288 121 R C 0.415 176.664 176.300 -0.086 0.000 1.394 121 R CA -0.356 55.628 56.100 -0.193 0.000 1.155 121 R CB 0.126 30.166 30.300 -0.433 0.000 1.156 121 R HN 0.836 nan 8.270 nan 0.000 0.553 122 G N 2.848 111.600 108.800 -0.081 0.000 2.525 122 G HA2 0.269 4.229 3.960 0.000 0.000 0.276 122 G HA3 0.269 4.229 3.960 0.000 0.000 0.276 122 G C -1.895 172.962 174.900 -0.072 0.000 1.388 122 G CA -0.953 44.104 45.100 -0.071 0.000 1.050 122 G HN 0.458 nan 8.290 nan 0.000 0.520 123 P HA 0.316 nan 4.420 nan 0.000 0.271 123 P C -0.245 177.021 177.300 -0.057 0.000 1.238 123 P CA -0.004 63.057 63.100 -0.064 0.000 0.794 123 P CB 0.464 32.124 31.700 -0.067 0.000 0.959 124 R N 0.596 121.065 120.500 -0.052 0.000 2.837 124 R HA 0.378 4.718 4.340 0.000 0.000 0.271 124 R C 0.013 176.281 176.300 -0.053 0.000 0.993 124 R CA -0.279 55.791 56.100 -0.049 0.000 0.931 124 R CB 1.129 31.401 30.300 -0.045 0.000 1.206 124 R HN 0.364 nan 8.270 nan 0.000 0.474 125 D N 0.051 120.422 120.400 -0.048 0.000 2.504 125 D HA 0.186 4.826 4.640 0.000 0.000 0.276 125 D C -0.569 175.702 176.300 -0.048 0.000 1.073 125 D CA 0.657 54.626 54.000 -0.051 0.000 0.905 125 D CB 0.764 41.540 40.800 -0.040 0.000 1.350 125 D HN 0.264 nan 8.370 nan 0.000 0.496 126 K N 0.317 120.696 120.400 -0.034 0.000 2.433 126 K HA 0.543 4.863 4.320 0.000 0.000 0.252 126 K C -2.591 173.999 176.600 -0.016 0.000 1.015 126 K CA -1.698 54.575 56.287 -0.023 0.000 0.860 126 K CB 1.549 34.040 32.500 -0.014 0.000 1.359 126 K HN -0.196 nan 8.250 nan 0.000 0.452 127 P HA -0.022 nan 4.420 nan 0.000 0.272 127 P C -0.683 176.619 177.300 0.004 0.000 1.254 127 P CA -0.358 62.744 63.100 0.004 0.000 0.795 127 P CB 0.339 32.048 31.700 0.016 0.000 1.022 128 T N -0.908 113.652 114.554 0.011 0.000 2.780 128 T HA 0.375 4.725 4.350 0.000 0.000 0.294 128 T C -2.402 172.313 174.700 0.024 0.000 0.949 128 T CA -2.076 60.035 62.100 0.018 0.000 1.074 128 T CB -0.350 68.536 68.868 0.030 0.000 0.910 128 T HN 0.108 nan 8.240 nan 0.000 0.501 129 P HA -0.002 nan 4.420 nan 0.000 0.261 129 P C 1.233 178.539 177.300 0.010 0.000 1.165 129 P CA -0.035 63.071 63.100 0.010 0.000 0.759 129 P CB 0.338 32.040 31.700 0.004 0.000 0.772 130 L N 3.087 124.313 121.223 0.005 0.000 2.079 130 L HA -0.200 4.140 4.340 0.000 0.000 0.210 130 L C 2.323 179.180 176.870 -0.022 0.000 1.081 130 L CA 1.637 56.476 54.840 -0.001 0.000 0.752 130 L CB -0.878 41.179 42.059 -0.003 0.000 0.896 130 L HN 0.551 nan 8.230 nan 0.000 0.433 131 E N 0.934 121.118 120.200 -0.027 0.000 2.110 131 E HA -0.244 4.106 4.350 0.000 0.000 0.193 131 E C 1.488 178.040 176.600 -0.080 0.000 0.988 131 E CA 1.398 57.770 56.400 -0.047 0.000 0.804 131 E CB -0.270 29.408 29.700 -0.037 0.000 0.745 131 E HN 0.647 nan 8.360 nan 0.000 0.458 132 E N 1.101 121.262 120.200 -0.065 0.000 2.042 132 E HA 0.015 4.365 4.350 0.000 0.000 0.189 132 E C 2.511 179.028 176.600 -0.137 0.000 0.974 132 E CA 0.301 56.634 56.400 -0.113 0.000 0.806 132 E CB -0.230 29.473 29.700 0.006 0.000 0.769 132 E HN 0.155 nan 8.360 nan 0.000 0.451 133 L N 1.256 122.483 121.223 0.006 0.000 1.971 133 L HA -0.233 4.107 4.340 0.000 0.000 0.215 133 L C 2.615 179.494 176.870 0.015 0.000 1.072 133 L CA 1.013 55.899 54.840 0.077 0.000 0.758 133 L CB -0.242 41.868 42.059 0.084 0.000 0.889 133 L HN 0.174 nan 8.230 nan 0.000 0.433 134 L N 0.409 121.604 121.223 -0.046 0.000 2.013 134 L HA -0.155 4.186 4.340 0.000 0.000 0.212 134 L C -0.532 176.291 176.870 -0.079 0.000 1.073 134 L CA 2.232 57.025 54.840 -0.078 0.000 0.753 134 L CB -1.831 40.184 42.059 -0.073 0.000 0.890 134 L HN 0.115 nan 8.230 nan 0.000 0.432 135 P HA -0.151 nan 4.420 nan 0.000 0.215 135 P C 1.316 178.590 177.300 -0.044 0.000 1.157 135 P CA 1.672 64.689 63.100 -0.138 0.000 0.868 135 P CB -0.225 31.318 31.700 -0.261 0.000 0.788 136 H N -0.634 118.470 119.070 0.056 0.000 2.357 136 H HA 0.025 4.581 4.556 0.000 0.000 0.301 136 H C 1.996 177.415 175.328 0.153 0.000 1.082 136 H CA 1.521 57.630 56.048 0.102 0.000 1.342 136 H CB -1.162 28.660 29.762 0.101 0.000 1.389 136 H HN 0.048 nan 8.280 nan 0.000 0.511 137 A N 1.776 124.726 122.820 0.216 0.000 1.883 137 A HA -0.144 4.177 4.320 0.000 0.000 0.217 137 A C 2.477 180.135 177.584 0.122 0.000 1.186 137 A CA 1.531 53.644 52.037 0.126 0.000 0.624 137 A CB -0.569 18.241 19.000 -0.316 0.000 0.822 137 A HN 0.210 nan 8.150 nan 0.000 0.444 138 I N -0.204 120.397 120.570 0.052 0.000 2.163 138 I HA -0.211 3.959 4.170 0.000 0.000 0.243 138 I C 2.459 178.645 176.117 0.114 0.000 1.085 138 I CA 1.996 63.328 61.300 0.053 0.000 1.347 138 I CB -1.526 36.482 38.000 0.014 0.000 1.044 138 I HN 0.390 nan 8.210 nan 0.000 0.408 139 E N 1.323 121.612 120.200 0.149 0.000 2.058 139 E HA -0.272 4.078 4.350 0.000 0.000 0.194 139 E C 2.145 178.874 176.600 0.215 0.000 0.997 139 E CA 1.476 57.979 56.400 0.171 0.000 0.801 139 E CB -0.605 29.215 29.700 0.200 0.000 0.746 139 E HN 0.361 nan 8.360 nan 0.000 0.450 140 F N 0.697 120.746 119.950 0.166 0.000 2.102 140 F HA -0.151 4.376 4.527 0.000 0.000 0.298 140 F C 1.924 177.840 175.800 0.193 0.000 1.105 140 F CA 1.227 59.346 58.000 0.199 0.000 1.239 140 F CB -0.349 38.791 39.000 0.233 0.000 0.991 140 F HN 0.050 nan 8.300 nan 0.000 0.474 141 I N 0.917 121.444 120.570 -0.072 0.000 2.264 141 I HA -0.310 3.861 4.170 0.000 0.000 0.248 141 I C 2.017 178.086 176.117 -0.080 0.000 1.111 141 I CA 1.226 62.471 61.300 -0.091 0.000 1.382 141 I CB -1.510 36.561 38.000 0.119 0.000 1.060 141 I HN 0.281 nan 8.210 nan 0.000 0.418 142 N N 0.623 119.326 118.700 0.006 0.000 2.171 142 N HA -0.212 4.529 4.740 0.000 0.000 0.184 142 N C 1.849 177.282 175.510 -0.129 0.000 1.021 142 N CA 0.976 54.039 53.050 0.022 0.000 0.854 142 N CB -0.253 38.302 38.487 0.113 0.000 0.994 142 N HN 0.531 nan 8.380 nan 0.000 0.426 143 Q N -0.002 119.743 119.800 -0.092 0.000 2.020 143 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 143 Q C 2.055 177.883 176.000 -0.286 0.000 0.982 143 Q CA 1.235 57.005 55.803 -0.056 0.000 0.838 143 Q CB -0.278 28.554 28.738 0.156 0.000 0.899 143 Q HN 0.349 nan 8.270 nan 0.000 0.423 144 Y N 0.361 120.215 120.300 -0.744 0.000 2.014 144 Y HA -0.339 4.211 4.550 0.000 0.000 0.270 144 Y C 1.791 176.865 175.900 -1.377 0.000 1.145 144 Y CA 2.246 59.560 58.100 -1.309 0.000 1.106 144 Y CB -1.004 36.676 38.460 -1.301 0.000 0.968 144 Y HN 0.238 nan 8.280 nan 0.000 0.484 145 Y N 0.156 119.578 120.300 -1.463 0.000 2.384 145 Y HA -0.094 4.456 4.550 0.000 0.000 0.289 145 Y C 2.635 177.734 175.900 -1.336 0.000 1.152 145 Y CA 1.294 58.253 58.100 -1.902 0.000 1.258 145 Y CB -0.846 36.689 38.460 -1.541 0.000 0.979 145 Y HN 0.304 nan 8.280 nan 0.000 0.549 146 G N -1.273 107.104 108.800 -0.705 0.000 2.448 146 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 146 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 146 G C 1.684 176.431 174.900 -0.256 0.000 1.135 146 G CA 0.877 45.772 45.100 -0.342 0.000 0.784 146 G HN 0.444 nan 8.290 nan 0.000 0.543 147 S N -0.174 115.323 115.700 -0.338 0.000 2.603 147 S HA 0.259 4.729 4.470 0.000 0.000 0.229 147 S C 0.500 175.209 174.600 0.182 0.000 0.972 147 S CA -0.549 57.638 58.200 -0.022 0.000 0.935 147 S CB -0.580 62.684 63.200 0.108 0.000 0.769 147 S HN 0.237 nan 8.310 nan 0.000 0.536 148 F N 1.811 121.617 119.950 -0.240 0.000 2.396 148 F HA 0.444 4.971 4.527 0.000 0.000 0.343 148 F C 0.900 176.642 175.800 -0.095 0.000 1.104 148 F CA -1.325 56.560 58.000 -0.193 0.000 1.161 148 F CB 0.800 39.655 39.000 -0.242 0.000 1.146 148 F HN -0.019 nan 8.300 nan 0.000 0.522 149 K N 3.980 124.439 120.400 0.099 0.000 2.234 149 K HA 0.091 4.411 4.320 0.000 0.000 0.282 149 K C -0.362 176.266 176.600 0.047 0.000 1.039 149 K CA -0.133 56.184 56.287 0.051 0.000 0.928 149 K CB 0.942 33.451 32.500 0.015 0.000 1.039 149 K HN 0.811 nan 8.250 nan 0.000 0.470 150 E N 1.774 122.003 120.200 0.049 0.000 6.165 150 E HA -0.176 4.174 4.350 0.000 0.000 0.190 150 E C -1.429 175.229 176.600 0.097 0.000 1.399 150 E CA 0.545 56.974 56.400 0.048 0.000 1.382 150 E CB -1.268 28.444 29.700 0.019 0.000 0.979 150 E HN 0.634 nan 8.360 nan 0.000 0.311 151 A N 4.337 127.213 122.820 0.094 0.000 2.366 151 A HA 0.455 4.775 4.320 0.000 0.000 0.250 151 A C 0.270 177.940 177.584 0.143 0.000 1.099 151 A CA 0.422 52.533 52.037 0.123 0.000 0.794 151 A CB 0.526 19.571 19.000 0.075 0.000 1.056 151 A HN 0.556 nan 8.150 nan 0.000 0.499 152 K N 1.041 121.547 120.400 0.177 0.000 3.098 152 K HA 0.254 4.574 4.320 0.000 0.000 0.170 152 K C -0.184 176.474 176.600 0.098 0.000 1.106 152 K CA -0.223 56.164 56.287 0.167 0.000 0.864 152 K CB 0.411 33.087 32.500 0.294 0.000 1.047 152 K HN 0.503 nan 8.250 nan 0.000 0.609 153 I N 1.657 122.260 120.570 0.055 0.000 2.113 153 I HA -0.424 3.746 4.170 0.000 0.000 0.242 153 I C 2.561 178.644 176.117 -0.057 0.000 1.064 153 I CA 1.712 63.009 61.300 -0.005 0.000 1.320 153 I CB -0.366 37.613 38.000 -0.034 0.000 1.028 153 I HN 0.503 nan 8.210 nan 0.000 0.406 154 E N 1.651 121.832 120.200 -0.031 0.000 2.045 154 E HA -0.330 4.020 4.350 0.000 0.000 0.212 154 E C 1.951 178.515 176.600 -0.060 0.000 1.039 154 E CA 2.195 58.572 56.400 -0.038 0.000 0.860 154 E CB -1.116 28.581 29.700 -0.005 0.000 0.776 154 E HN 0.644 nan 8.360 nan 0.000 0.467 155 E N 0.126 120.310 120.200 -0.027 0.000 2.085 155 E HA -0.231 4.119 4.350 0.000 0.000 0.194 155 E C 2.275 178.680 176.600 -0.325 0.000 0.994 155 E CA 1.332 57.708 56.400 -0.041 0.000 0.801 155 E CB -0.417 29.375 29.700 0.153 0.000 0.743 155 E HN 0.551 nan 8.360 nan 0.000 0.453 156 H N 0.862 119.505 119.070 -0.711 0.000 2.251 156 H HA -0.150 4.406 4.556 0.000 0.000 0.294 156 H C 2.282 177.275 175.328 -0.558 0.000 1.078 156 H CA 1.537 56.907 56.048 -1.130 0.000 1.246 156 H CB -0.014 29.331 29.762 -0.695 0.000 1.358 156 H HN 0.052 nan 8.280 nan 0.000 0.488 157 L N 0.301 121.356 121.223 -0.280 0.000 2.042 157 L HA -0.189 4.151 4.340 0.000 0.000 0.210 157 L C 3.087 179.872 176.870 -0.141 0.000 1.076 157 L CA 0.936 55.631 54.840 -0.242 0.000 0.749 157 L CB -0.713 41.225 42.059 -0.201 0.000 0.893 157 L HN 0.411 nan 8.230 nan 0.000 0.432 158 A N 0.346 123.098 122.820 -0.114 0.000 1.908 158 A HA -0.262 4.058 4.320 0.000 0.000 0.218 158 A C 2.404 179.968 177.584 -0.032 0.000 1.181 158 A CA 2.023 54.026 52.037 -0.057 0.000 0.627 158 A CB -0.508 18.475 19.000 -0.029 0.000 0.818 158 A HN 0.296 nan 8.150 nan 0.000 0.445 159 R N -0.079 120.390 120.500 -0.051 0.000 2.092 159 R HA 0.041 4.381 4.340 0.000 0.000 0.231 159 R C 1.886 178.204 176.300 0.030 0.000 1.119 159 R CA 1.458 57.578 56.100 0.033 0.000 0.970 159 R CB -0.918 29.441 30.300 0.100 0.000 0.864 159 R HN 0.520 nan 8.270 nan 0.000 0.440 160 L N 0.224 121.440 121.223 -0.011 0.000 2.012 160 L HA -0.162 4.178 4.340 0.000 0.000 0.210 160 L C 2.564 179.414 176.870 -0.034 0.000 1.073 160 L CA 2.006 56.834 54.840 -0.018 0.000 0.748 160 L CB -0.517 41.506 42.059 -0.060 0.000 0.891 160 L HN 0.385 nan 8.230 nan 0.000 0.431 161 E N 0.029 120.205 120.200 -0.039 0.000 2.077 161 E HA -0.255 4.095 4.350 0.000 0.000 0.193 161 E C 2.204 178.797 176.600 -0.012 0.000 0.989 161 E CA 1.184 57.565 56.400 -0.031 0.000 0.800 161 E CB -0.005 29.675 29.700 -0.033 0.000 0.746 161 E HN 0.476 nan 8.360 nan 0.000 0.452 162 A N 0.473 123.297 122.820 0.007 0.000 1.902 162 A HA -0.141 4.179 4.320 0.000 0.000 0.217 162 A C 2.383 179.990 177.584 0.039 0.000 1.181 162 A CA 1.470 53.526 52.037 0.032 0.000 0.623 162 A CB -0.604 18.430 19.000 0.056 0.000 0.818 162 A HN 0.222 nan 8.150 nan 0.000 0.443 163 V N -0.163 119.765 119.914 0.024 0.000 2.358 163 V HA -0.214 3.906 4.120 0.000 0.000 0.246 163 V C 2.731 178.780 176.094 -0.076 0.000 1.047 163 V CA 2.398 64.684 62.300 -0.023 0.000 1.035 163 V CB -1.380 30.363 31.823 -0.132 0.000 0.658 163 V HN 0.618 nan 8.190 nan 0.000 0.452 164 T N -0.001 114.512 114.554 -0.068 0.000 2.652 164 T HA -0.203 4.147 4.350 0.000 0.000 0.267 164 T C 1.986 176.670 174.700 -0.027 0.000 1.039 164 T CA 1.362 63.425 62.100 -0.061 0.000 1.153 164 T CB -0.282 68.557 68.868 -0.049 0.000 0.863 164 T HN 0.340 nan 8.240 nan 0.000 0.428 165 K N 1.198 121.592 120.400 -0.009 0.000 2.044 165 K HA -0.152 4.168 4.320 0.000 0.000 0.210 165 K C 2.280 178.892 176.600 0.021 0.000 1.049 165 K CA 1.441 57.731 56.287 0.006 0.000 0.927 165 K CB -0.528 31.980 32.500 0.012 0.000 0.713 165 K HN 0.526 nan 8.250 nan 0.000 0.443 166 E N 0.620 120.842 120.200 0.037 0.000 2.077 166 E HA -0.142 4.208 4.350 0.000 0.000 0.193 166 E C 2.131 178.771 176.600 0.068 0.000 0.989 166 E CA 0.910 57.351 56.400 0.068 0.000 0.800 166 E CB -0.022 29.750 29.700 0.120 0.000 0.746 166 E HN 0.254 nan 8.360 nan 0.000 0.452 167 I N 0.754 121.349 120.570 0.043 0.000 2.252 167 I HA -0.244 3.926 4.170 0.000 0.000 0.245 167 I C 2.297 178.430 176.117 0.027 0.000 1.102 167 I CA 1.158 62.481 61.300 0.039 0.000 1.385 167 I CB -0.347 37.645 38.000 -0.014 0.000 1.064 167 I HN 0.131 nan 8.210 nan 0.000 0.414 168 E N 0.562 120.769 120.200 0.011 0.000 2.058 168 E HA -0.242 4.108 4.350 0.000 0.000 0.194 168 E C 2.246 178.857 176.600 0.018 0.000 0.997 168 E CA 2.252 58.657 56.400 0.009 0.000 0.801 168 E CB -0.175 29.526 29.700 0.002 0.000 0.746 168 E HN 0.625 nan 8.360 nan 0.000 0.450 169 T N -1.901 112.667 114.554 0.024 0.000 2.937 169 T HA -0.073 4.277 4.350 0.000 0.000 0.260 169 T C 2.135 176.855 174.700 0.033 0.000 1.051 169 T CA 1.510 63.626 62.100 0.027 0.000 1.141 169 T CB -0.198 68.687 68.868 0.028 0.000 0.879 169 T HN 0.237 nan 8.240 nan 0.000 0.459 170 T N -2.440 112.141 114.554 0.044 0.000 3.038 170 T HA 0.494 4.844 4.350 0.000 0.000 0.244 170 T C 1.855 176.585 174.700 0.049 0.000 1.016 170 T CA 0.826 62.956 62.100 0.049 0.000 1.098 170 T CB -0.176 68.729 68.868 0.062 0.000 0.954 170 T HN 1.088 nan 8.240 nan 0.000 0.469 171 G N 0.200 109.032 108.800 0.055 0.000 2.138 171 G HA2 0.035 3.995 3.960 0.000 0.000 0.193 171 G HA3 0.035 3.995 3.960 0.000 0.000 0.193 171 G C 0.155 175.099 174.900 0.073 0.000 0.998 171 G CA 0.451 45.582 45.100 0.052 0.000 0.668 171 G HN 1.140 nan 8.290 nan 0.000 0.516 172 T N -1.639 112.981 114.554 0.110 0.000 2.669 172 T HA 0.627 4.977 4.350 0.000 0.000 0.283 172 T C -1.717 173.158 174.700 0.293 0.000 1.967 172 T CA 0.659 62.868 62.100 0.181 0.000 0.941 172 T CB 0.656 69.582 68.868 0.096 0.000 2.124 172 T HN 1.846 nan 8.240 nan 0.000 0.439 173 Y N -0.301 120.014 120.300 0.026 0.000 2.689 173 Y HA 0.821 5.371 4.550 0.000 0.000 0.333 173 Y C -1.693 174.235 175.900 0.047 0.000 1.208 173 Y CA -1.175 56.951 58.100 0.043 0.000 1.055 173 Y CB 0.765 39.263 38.460 0.063 0.000 1.304 173 Y HN 0.534 nan 8.280 nan 0.000 0.455 174 Q N 2.144 121.930 119.800 -0.024 0.000 2.312 174 Q HA 0.525 4.865 4.340 0.000 0.000 0.263 174 Q C -0.961 174.997 176.000 -0.070 0.000 0.995 174 Q CA -0.812 54.925 55.803 -0.109 0.000 0.853 174 Q CB 2.994 31.732 28.738 0.000 0.000 1.300 174 Q HN 0.856 nan 8.270 nan 0.000 0.448 175 L N 1.577 122.742 121.223 -0.097 0.000 2.395 175 L HA 0.299 4.639 4.340 0.000 0.000 0.269 175 L C 1.120 178.006 176.870 0.028 0.000 1.133 175 L CA -0.400 54.446 54.840 0.011 0.000 0.812 175 L CB 0.948 43.021 42.059 0.024 0.000 1.125 175 L HN 0.704 nan 8.230 nan 0.000 0.452 176 T N -0.761 113.810 114.554 0.028 0.000 2.813 176 T HA 0.085 4.435 4.350 0.000 0.000 0.297 176 T C 0.974 175.666 174.700 -0.014 0.000 1.036 176 T CA -0.634 61.474 62.100 0.012 0.000 1.044 176 T CB 0.948 69.820 68.868 0.007 0.000 0.993 176 T HN 0.464 nan 8.240 nan 0.000 0.535 177 L N 0.875 122.093 121.223 -0.008 0.000 2.012 177 L HA -0.019 4.321 4.340 0.000 0.000 0.210 177 L C 2.028 178.888 176.870 -0.016 0.000 1.073 177 L CA 2.005 56.834 54.840 -0.020 0.000 0.748 177 L CB -1.183 40.867 42.059 -0.015 0.000 0.891 177 L HN 0.750 nan 8.230 nan 0.000 0.431 178 D N -0.384 120.014 120.400 -0.004 0.000 2.182 178 D HA -0.188 4.452 4.640 0.000 0.000 0.201 178 D C 2.099 178.405 176.300 0.009 0.000 0.986 178 D CA 1.405 55.426 54.000 0.036 0.000 0.847 178 D CB -0.014 40.839 40.800 0.087 0.000 0.942 178 D HN 0.565 nan 8.370 nan 0.000 0.467 179 E N -0.306 119.787 120.200 -0.180 0.000 2.107 179 E HA -0.092 4.258 4.350 0.000 0.000 0.191 179 E C 1.931 178.631 176.600 0.167 0.000 0.982 179 E CA 0.106 56.382 56.400 -0.206 0.000 0.809 179 E CB 0.014 29.553 29.700 -0.267 0.000 0.756 179 E HN 0.125 nan 8.360 nan 0.000 0.459 180 L N 1.362 122.610 121.223 0.042 0.000 2.027 180 L HA -0.135 4.205 4.340 0.000 0.000 0.206 180 L C 2.016 178.882 176.870 -0.007 0.000 1.074 180 L CA 1.506 56.324 54.840 -0.037 0.000 0.745 180 L CB -0.337 41.651 42.059 -0.118 0.000 0.898 180 L HN 0.093 nan 8.230 nan 0.000 0.433 181 I N -1.179 119.408 120.570 0.029 0.000 2.099 181 I HA -0.363 3.808 4.170 0.000 0.000 0.239 181 I C 2.411 178.621 176.117 0.154 0.000 1.066 181 I CA 1.971 63.299 61.300 0.047 0.000 1.324 181 I CB -0.552 37.479 38.000 0.052 0.000 1.037 181 I HN 0.322 nan 8.210 nan 0.000 0.401 182 F N 1.793 121.815 119.950 0.120 0.000 2.120 182 F HA -0.301 4.226 4.527 0.000 0.000 0.300 182 F C 2.419 178.351 175.800 0.219 0.000 1.095 182 F CA 1.632 59.767 58.000 0.226 0.000 1.249 182 F CB -0.364 38.848 39.000 0.353 0.000 0.995 182 F HN 0.024 nan 8.300 nan 0.000 0.480 183 A N -0.180 122.779 122.820 0.233 0.000 1.930 183 A HA -0.173 4.147 4.320 0.000 0.000 0.217 183 A C 2.252 179.743 177.584 -0.156 0.000 1.175 183 A CA 2.306 54.346 52.037 0.004 0.000 0.627 183 A CB -1.602 17.354 19.000 -0.073 0.000 0.815 183 A HN 0.556 nan 8.150 nan 0.000 0.443 184 T N -1.744 112.755 114.554 -0.093 0.000 2.821 184 T HA -0.100 4.250 4.350 0.000 0.000 0.267 184 T C 1.775 176.515 174.700 0.067 0.000 1.046 184 T CA 1.525 63.598 62.100 -0.045 0.000 1.139 184 T CB -0.292 68.558 68.868 -0.030 0.000 0.871 184 T HN 0.529 nan 8.240 nan 0.000 0.454 185 K N 0.154 120.606 120.400 0.085 0.000 2.155 185 K HA 0.141 4.461 4.320 0.000 0.000 0.203 185 K C 2.408 179.089 176.600 0.134 0.000 1.052 185 K CA 0.883 57.320 56.287 0.249 0.000 0.948 185 K CB -0.171 32.497 32.500 0.281 0.000 0.728 185 K HN 0.262 nan 8.250 nan 0.000 0.448 186 M N 0.426 119.928 119.600 -0.164 0.000 2.156 186 M HA -0.025 4.455 4.480 0.000 0.000 0.264 186 M C 2.411 178.568 176.300 -0.239 0.000 1.067 186 M CA 1.223 56.334 55.300 -0.315 0.000 1.131 186 M CB -0.935 31.367 32.600 -0.497 0.000 1.368 186 M HN 0.118 nan 8.290 nan 0.000 0.416 187 A N -0.768 121.875 122.820 -0.294 0.000 1.972 187 A HA -0.203 4.117 4.320 0.000 0.000 0.219 187 A C 1.992 179.408 177.584 -0.280 0.000 1.169 187 A CA 1.321 53.041 52.037 -0.527 0.000 0.635 187 A CB -0.976 17.317 19.000 -1.180 0.000 0.810 187 A HN 0.679 nan 8.150 nan 0.000 0.446 188 W N 0.791 122.002 121.300 -0.149 0.000 2.408 188 W HA -0.050 4.611 4.660 0.000 0.000 0.311 188 W C 2.235 178.678 176.519 -0.127 0.000 1.190 188 W CA 1.300 58.626 57.345 -0.032 0.000 1.321 188 W CB -0.784 28.659 29.460 -0.027 0.000 1.143 188 W HN 0.330 nan 8.180 nan 0.000 0.501 189 R N 0.468 120.919 120.500 -0.082 0.000 2.170 189 R HA -0.184 4.156 4.340 0.000 0.000 0.242 189 R C 0.961 177.122 176.300 -0.233 0.000 1.145 189 R CA 1.756 57.634 56.100 -0.370 0.000 0.984 189 R CB -0.485 29.403 30.300 -0.687 0.000 0.869 189 R HN 0.092 nan 8.270 nan 0.000 0.455 190 N N -0.139 118.459 118.700 -0.170 0.000 2.276 190 N HA 0.085 4.825 4.740 0.000 0.000 0.212 190 N C -0.932 174.498 175.510 -0.133 0.000 1.127 190 N CA 0.322 53.302 53.050 -0.118 0.000 0.834 190 N CB 1.303 39.766 38.487 -0.040 0.000 1.014 190 N HN 0.138 nan 8.380 nan 0.000 0.491 191 A N 2.054 124.788 122.820 -0.142 0.000 2.316 191 A HA 0.321 4.641 4.320 0.000 0.000 0.311 191 A C -1.106 176.421 177.584 -0.095 0.000 1.339 191 A CA -1.188 50.718 52.037 -0.217 0.000 0.960 191 A CB 0.756 19.686 19.000 -0.117 0.000 1.152 191 A HN -0.029 nan 8.150 nan 0.000 0.547 192 P HA -0.157 nan 4.420 nan 0.000 0.220 192 P C 0.837 178.119 177.300 -0.031 0.000 1.148 192 P CA 1.043 64.120 63.100 -0.038 0.000 0.803 192 P CB 0.206 31.885 31.700 -0.035 0.000 0.782 193 R N -1.306 119.138 120.500 -0.093 0.000 2.320 193 R HA 0.133 4.473 4.340 0.000 0.000 0.211 193 R C 0.617 176.952 176.300 0.058 0.000 0.931 193 R CA -0.168 55.908 56.100 -0.039 0.000 1.071 193 R CB -0.484 29.586 30.300 -0.382 0.000 1.025 193 R HN 0.177 nan 8.270 nan 0.000 0.495 194 C N 0.538 119.846 119.300 0.014 0.000 2.295 194 C HA 0.338 4.798 4.460 0.000 0.000 0.331 194 C C 1.649 176.645 174.990 0.010 0.000 1.280 194 C CA -0.800 58.252 59.018 0.058 0.000 1.746 194 C CB -0.224 27.601 27.740 0.142 0.000 2.328 194 C HN 0.552 nan 8.230 nan 0.000 0.521 195 I N 4.057 124.609 120.570 -0.029 0.000 3.603 195 I HA 0.207 4.378 4.170 0.000 0.000 0.297 195 I C 1.864 178.057 176.117 0.126 0.000 1.269 195 I CA 0.916 62.157 61.300 -0.097 0.000 1.361 195 I CB 0.127 38.040 38.000 -0.145 0.000 1.063 195 I HN 0.918 nan 8.210 nan 0.000 0.448 196 G N 0.059 108.928 108.800 0.114 0.000 3.141 196 G HA2 -0.001 3.959 3.960 0.000 0.000 0.218 196 G HA3 -0.001 3.959 3.960 0.000 0.000 0.218 196 G C 1.286 176.208 174.900 0.037 0.000 1.170 196 G CA -0.334 44.823 45.100 0.095 0.000 0.769 196 G HN 0.248 nan 8.290 nan 0.000 0.546 197 R N -0.157 120.317 120.500 -0.044 0.000 2.397 197 R HA 0.041 4.381 4.340 0.000 0.000 0.213 197 R C 1.896 177.685 176.300 -0.851 0.000 1.102 197 R CA 0.295 56.066 56.100 -0.547 0.000 1.040 197 R CB -0.216 29.809 30.300 -0.458 0.000 0.844 197 R HN 0.452 nan 8.270 nan 0.000 0.478 198 I N 0.529 120.804 120.570 -0.493 0.000 3.001 198 I HA -0.186 3.985 4.170 0.000 0.000 0.268 198 I C 1.351 177.322 176.117 -0.242 0.000 1.267 198 I CA 0.977 62.101 61.300 -0.292 0.000 1.472 198 I CB 0.182 38.170 38.000 -0.021 0.000 1.089 198 I HN 0.172 nan 8.210 nan 0.000 0.468 199 Q N 0.526 120.110 119.800 -0.359 0.000 2.360 199 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 199 Q C 1.629 177.114 176.000 -0.858 0.000 0.915 199 Q CA 0.284 55.866 55.803 -0.367 0.000 0.943 199 Q CB -0.141 28.558 28.738 -0.065 0.000 1.064 199 Q HN 0.769 nan 8.270 nan 0.000 0.511 200 W N 1.246 121.692 121.300 -1.423 0.000 2.303 200 W HA -0.249 4.411 4.660 0.000 0.000 0.287 200 W C 1.191 177.381 176.519 -0.548 0.000 1.213 200 W CA 1.579 57.941 57.345 -1.637 0.000 1.203 200 W CB -1.306 27.450 29.460 -1.174 0.000 1.136 200 W HN 0.155 nan 8.180 nan 0.000 0.547 201 S N 0.071 114.932 115.700 -1.399 0.000 2.501 201 S HA 0.006 4.476 4.470 0.000 0.000 0.220 201 S C 0.537 174.893 174.600 -0.406 0.000 0.997 201 S CA 0.065 57.633 58.200 -1.053 0.000 0.919 201 S CB -0.935 61.490 63.200 -1.293 0.000 0.778 201 S HN 0.343 nan 8.310 nan 0.000 0.523 202 N N 1.661 120.208 118.700 -0.255 0.000 2.719 202 N HA 0.480 5.220 4.740 0.000 0.000 0.243 202 N C -1.557 174.023 175.510 0.117 0.000 1.104 202 N CA -0.285 52.740 53.050 -0.040 0.000 0.981 202 N CB 0.740 39.238 38.487 0.018 0.000 1.290 202 N HN 0.206 nan 8.380 nan 0.000 0.513 203 L N 2.064 123.324 121.223 0.062 0.000 2.470 203 L HA 0.286 4.626 4.340 0.000 0.000 0.268 203 L C -1.030 175.777 176.870 -0.104 0.000 0.964 203 L CA -0.768 54.097 54.840 0.042 0.000 0.839 203 L CB 1.954 44.092 42.059 0.133 0.000 1.276 203 L HN 0.265 nan 8.230 nan 0.000 0.403 204 Q N 3.241 122.914 119.800 -0.212 0.000 2.279 204 Q HA 0.598 4.938 4.340 0.000 0.000 0.256 204 Q C -1.655 173.918 176.000 -0.712 0.000 0.937 204 Q CA -0.162 55.342 55.803 -0.498 0.000 0.933 204 Q CB 1.354 29.660 28.738 -0.720 0.000 1.189 204 Q HN 0.505 nan 8.270 nan 0.000 0.417 205 V N 5.854 125.380 119.914 -0.647 0.000 2.357 205 V HA 0.431 4.551 4.120 0.000 0.000 0.284 205 V C -0.842 174.897 176.094 -0.593 0.000 1.018 205 V CA -0.629 61.342 62.300 -0.549 0.000 0.841 205 V CB 0.563 32.213 31.823 -0.288 0.000 0.991 205 V HN 0.636 nan 8.190 nan 0.000 0.437 206 F N 2.666 122.420 119.950 -0.327 0.000 2.361 206 F HA 0.373 4.900 4.527 0.000 0.000 0.364 206 F C 0.541 176.158 175.800 -0.306 0.000 1.120 206 F CA -1.300 56.516 58.000 -0.307 0.000 1.102 206 F CB 0.944 39.737 39.000 -0.346 0.000 1.183 206 F HN 0.436 nan 8.300 nan 0.000 0.476 207 D N 3.351 123.716 120.400 -0.058 0.000 2.374 207 D HA 0.341 4.981 4.640 0.000 0.000 0.240 207 D C 0.181 176.375 176.300 -0.176 0.000 1.229 207 D CA 0.196 54.116 54.000 -0.133 0.000 0.895 207 D CB 1.018 41.769 40.800 -0.082 0.000 1.046 207 D HN 0.616 nan 8.370 nan 0.000 0.498 208 A N 4.680 127.277 122.820 -0.371 0.000 2.637 208 A HA 0.158 4.478 4.320 0.000 0.000 0.293 208 A C 1.606 179.007 177.584 -0.305 0.000 1.216 208 A CA -0.421 51.285 52.037 -0.551 0.000 0.956 208 A CB 0.045 18.233 19.000 -1.353 0.000 1.174 208 A HN 0.529 nan 8.150 nan 0.000 0.525 209 R N 0.419 120.815 120.500 -0.172 0.000 2.328 209 R HA -0.139 4.202 4.340 0.000 0.000 0.207 209 R C 1.186 177.437 176.300 -0.081 0.000 1.056 209 R CA 1.507 57.552 56.100 -0.092 0.000 1.016 209 R CB -0.121 30.169 30.300 -0.017 0.000 0.872 209 R HN 0.832 nan 8.270 nan 0.000 0.471 210 N N -0.887 117.784 118.700 -0.048 0.000 2.392 210 N HA -0.051 4.690 4.740 0.000 0.000 0.177 210 N C 0.519 176.062 175.510 0.055 0.000 1.066 210 N CA -0.176 52.881 53.050 0.011 0.000 0.895 210 N CB -0.118 38.395 38.487 0.043 0.000 0.988 210 N HN -0.010 nan 8.380 nan 0.000 0.457 211 C N 0.408 119.741 119.300 0.056 0.000 2.608 211 C HA 0.119 4.579 4.460 0.000 0.000 0.407 211 C C 1.366 176.503 174.990 0.245 0.000 1.322 211 C CA 0.434 59.570 59.018 0.197 0.000 1.778 211 C CB -0.371 27.535 27.740 0.275 0.000 2.654 211 C HN 0.637 nan 8.230 nan 0.000 0.622 212 S N 0.866 116.765 115.700 0.331 0.000 2.691 212 S HA 0.167 4.637 4.470 0.000 0.000 0.258 212 S C 0.324 175.081 174.600 0.261 0.000 1.078 212 S CA 0.442 58.843 58.200 0.336 0.000 1.000 212 S CB 0.333 63.644 63.200 0.185 0.000 0.942 212 S HN 1.010 nan 8.310 nan 0.000 0.521 213 T N -0.850 113.832 114.554 0.214 0.000 2.926 213 T HA 0.833 5.183 4.350 0.000 0.000 0.289 213 T C 1.111 175.865 174.700 0.090 0.000 1.054 213 T CA -0.158 62.007 62.100 0.109 0.000 1.015 213 T CB 1.650 70.581 68.868 0.105 0.000 1.167 213 T HN 0.001 nan 8.240 nan 0.000 0.526 214 A N 0.423 123.268 122.820 0.042 0.000 1.898 214 A HA -0.045 4.275 4.320 0.000 0.000 0.216 214 A C 2.313 179.860 177.584 -0.061 0.000 1.181 214 A CA 2.025 54.066 52.037 0.006 0.000 0.620 214 A CB -1.282 17.818 19.000 0.166 0.000 0.819 214 A HN 0.903 nan 8.150 nan 0.000 0.442 215 Q N 0.311 120.180 119.800 0.115 0.000 2.152 215 Q HA -0.215 4.125 4.340 0.000 0.000 0.206 215 Q C 1.747 177.803 176.000 0.093 0.000 0.985 215 Q CA 2.425 58.306 55.803 0.131 0.000 0.863 215 Q CB -0.421 28.447 28.738 0.216 0.000 0.904 215 Q HN 0.750 nan 8.270 nan 0.000 0.422 216 E N -0.842 119.429 120.200 0.118 0.000 2.107 216 E HA -0.122 4.228 4.350 0.000 0.000 0.191 216 E C 1.992 178.765 176.600 0.287 0.000 0.982 216 E CA 1.072 57.571 56.400 0.165 0.000 0.809 216 E CB -0.077 29.763 29.700 0.233 0.000 0.756 216 E HN 0.468 nan 8.360 nan 0.000 0.459 217 M N -0.096 119.623 119.600 0.199 0.000 2.067 217 M HA -0.165 4.315 4.480 0.000 0.000 0.260 217 M C 2.186 178.570 176.300 0.140 0.000 1.069 217 M CA 1.314 56.699 55.300 0.140 0.000 1.117 217 M CB -0.332 32.128 32.600 -0.233 0.000 1.334 217 M HN 0.135 nan 8.290 nan 0.000 0.407 218 F N 1.302 121.078 119.950 -0.290 0.000 2.192 218 F HA -0.283 4.244 4.527 0.000 0.000 0.301 218 F C 2.245 177.959 175.800 -0.143 0.000 1.079 218 F CA 1.838 59.607 58.000 -0.386 0.000 1.303 218 F CB -0.344 38.116 39.000 -0.900 0.000 1.024 218 F HN 0.200 nan 8.300 nan 0.000 0.494 219 Q N -1.390 118.311 119.800 -0.166 0.000 2.096 219 Q HA -0.163 4.177 4.340 0.000 0.000 0.197 219 Q C 2.010 177.871 176.000 -0.232 0.000 0.964 219 Q CA 1.680 57.325 55.803 -0.263 0.000 0.838 219 Q CB -0.327 28.306 28.738 -0.175 0.000 0.906 219 Q HN 0.567 nan 8.270 nan 0.000 0.444 220 H N 0.074 119.123 119.070 -0.034 0.000 2.387 220 H HA -0.084 4.472 4.556 0.000 0.000 0.299 220 H C 1.874 177.181 175.328 -0.035 0.000 1.090 220 H CA 1.435 57.469 56.048 -0.023 0.000 1.332 220 H CB 0.136 29.980 29.762 0.138 0.000 1.386 220 H HN 0.163 nan 8.280 nan 0.000 0.516 221 I N -0.529 120.126 120.570 0.142 0.000 2.202 221 I HA -0.306 3.864 4.170 0.000 0.000 0.242 221 I C 2.124 178.195 176.117 -0.077 0.000 1.091 221 I CA 0.729 62.068 61.300 0.065 0.000 1.368 221 I CB -0.228 37.793 38.000 0.036 0.000 1.058 221 I HN 0.401 nan 8.210 nan 0.000 0.410 222 C N 0.449 119.596 119.300 -0.255 0.000 2.413 222 C HA -0.174 4.286 4.460 0.000 0.000 0.277 222 C C 2.962 177.861 174.990 -0.152 0.000 1.265 222 C CA 0.787 59.642 59.018 -0.273 0.000 1.752 222 C CB -1.210 26.258 27.740 -0.454 0.000 1.998 222 C HN 0.456 nan 8.230 nan 0.000 0.489 223 R N 0.075 120.473 120.500 -0.170 0.000 2.115 223 R HA -0.124 4.216 4.340 0.000 0.000 0.230 223 R C 2.032 178.245 176.300 -0.145 0.000 1.111 223 R CA 1.682 57.664 56.100 -0.198 0.000 0.976 223 R CB -0.752 29.352 30.300 -0.327 0.000 0.870 223 R HN 0.788 nan 8.270 nan 0.000 0.445 224 H N -0.237 118.720 119.070 -0.189 0.000 2.307 224 H HA 0.006 4.562 4.556 0.000 0.000 0.303 224 H C 2.245 177.634 175.328 0.101 0.000 1.073 224 H CA 1.699 57.744 56.048 -0.005 0.000 1.338 224 H CB 0.009 29.798 29.762 0.045 0.000 1.389 224 H HN 0.112 nan 8.280 nan 0.000 0.503 225 I N 0.406 121.061 120.570 0.142 0.000 2.208 225 I HA -0.269 3.902 4.170 0.000 0.000 0.245 225 I C 2.442 178.619 176.117 0.101 0.000 1.097 225 I CA 0.803 62.137 61.300 0.056 0.000 1.363 225 I CB -0.157 37.819 38.000 -0.041 0.000 1.051 225 I HN 0.327 nan 8.210 nan 0.000 0.413 226 L N 0.041 121.310 121.223 0.077 0.000 2.056 226 L HA -0.252 4.088 4.340 0.000 0.000 0.207 226 L C 2.478 179.418 176.870 0.116 0.000 1.078 226 L CA 1.838 56.716 54.840 0.063 0.000 0.749 226 L CB -0.853 41.217 42.059 0.018 0.000 0.901 226 L HN 0.253 nan 8.230 nan 0.000 0.433 227 Y N -0.060 120.286 120.300 0.077 0.000 2.163 227 Y HA -0.142 4.408 4.550 0.000 0.000 0.288 227 Y C 2.339 178.344 175.900 0.175 0.000 1.136 227 Y CA 1.790 59.976 58.100 0.143 0.000 1.147 227 Y CB -0.538 38.080 38.460 0.263 0.000 0.987 227 Y HN 0.220 nan 8.280 nan 0.000 0.509 228 A N -0.362 122.694 122.820 0.393 0.000 1.858 228 A HA -0.186 4.134 4.320 0.000 0.000 0.216 228 A C 2.230 179.878 177.584 0.108 0.000 1.190 228 A CA 2.408 54.617 52.037 0.287 0.000 0.617 228 A CB -1.434 17.798 19.000 0.388 0.000 0.827 228 A HN 0.511 nan 8.150 nan 0.000 0.443 229 T N -0.158 114.454 114.554 0.097 0.000 2.684 229 T HA -0.171 4.179 4.350 0.000 0.000 0.267 229 T C 1.153 175.860 174.700 0.012 0.000 1.036 229 T CA 1.570 63.709 62.100 0.065 0.000 1.148 229 T CB -0.476 68.424 68.868 0.054 0.000 0.863 229 T HN 0.663 nan 8.240 nan 0.000 0.436 230 N N 1.606 120.284 118.700 -0.035 0.000 2.716 230 N HA -0.266 4.474 4.740 0.000 0.000 0.250 230 N C 0.080 175.564 175.510 -0.043 0.000 1.033 230 N CA 0.980 53.984 53.050 -0.078 0.000 0.727 230 N CB -2.211 36.187 38.487 -0.149 0.000 0.950 230 N HN 0.687 nan 8.380 nan 0.000 0.541 231 N N -1.825 116.862 118.700 -0.021 0.000 2.747 231 N HA -0.244 4.496 4.740 0.000 0.000 0.249 231 N C 0.878 176.377 175.510 -0.018 0.000 1.107 231 N CA 1.208 54.247 53.050 -0.018 0.000 0.707 231 N CB -1.216 37.257 38.487 -0.024 0.000 1.054 231 N HN 1.073 nan 8.380 nan 0.000 0.555 232 G N -0.027 108.771 108.800 -0.003 0.000 2.279 232 G HA2 -0.310 3.650 3.960 0.000 0.000 0.223 232 G HA3 -0.310 3.650 3.960 0.000 0.000 0.223 232 G C 0.034 174.936 174.900 0.004 0.000 1.015 232 G CA 0.252 45.353 45.100 0.003 0.000 0.621 232 G HN 0.523 nan 8.290 nan 0.000 0.506 233 N N 2.275 120.960 118.700 -0.024 0.000 3.124 233 N HA 0.305 5.045 4.740 0.000 0.000 0.284 233 N C 0.926 176.416 175.510 -0.032 0.000 1.209 233 N CA -0.543 52.477 53.050 -0.051 0.000 1.149 233 N CB -0.541 37.906 38.487 -0.067 0.000 1.434 233 N HN 0.376 nan 8.380 nan 0.000 0.529 234 I N 1.447 122.033 120.570 0.026 0.000 2.906 234 I HA -0.141 4.029 4.170 0.000 0.000 0.302 234 I C 0.887 177.119 176.117 0.192 0.000 1.220 234 I CA 0.866 62.247 61.300 0.135 0.000 1.441 234 I CB -0.330 37.838 38.000 0.280 0.000 1.336 234 I HN 0.303 nan 8.210 nan 0.000 0.565 235 R N 3.728 124.340 120.500 0.185 0.000 2.670 235 R HA 0.423 4.764 4.340 0.000 0.000 0.289 235 R C -0.446 176.029 176.300 0.291 0.000 0.965 235 R CA -0.681 55.553 56.100 0.223 0.000 0.899 235 R CB 2.013 32.303 30.300 -0.016 0.000 1.173 235 R HN 0.563 nan 8.270 nan 0.000 0.456 236 S N 1.277 117.135 115.700 0.263 0.000 2.528 236 S HA 0.582 5.052 4.470 0.000 0.000 0.277 236 S C -0.507 174.133 174.600 0.066 0.000 1.297 236 S CA -0.369 57.878 58.200 0.078 0.000 1.052 236 S CB 1.389 64.546 63.200 -0.071 0.000 0.917 236 S HN 0.684 nan 8.310 nan 0.000 0.492 237 A N 2.929 125.759 122.820 0.016 0.000 2.612 237 A HA 0.834 5.154 4.320 0.000 0.000 0.293 237 A C -1.350 176.134 177.584 -0.167 0.000 1.075 237 A CA -0.641 51.294 52.037 -0.170 0.000 0.680 237 A CB 1.176 20.053 19.000 -0.205 0.000 1.279 237 A HN 0.792 nan 8.150 nan 0.000 0.411 238 I N 0.308 120.664 120.570 -0.357 0.000 2.722 238 I HA 0.621 4.791 4.170 0.000 0.000 0.295 238 I C -1.158 174.800 176.117 -0.265 0.000 1.161 238 I CA -0.189 61.021 61.300 -0.150 0.000 1.032 238 I CB 2.460 40.407 38.000 -0.089 0.000 1.244 238 I HN 0.603 nan 8.210 nan 0.000 0.421 239 T N 6.153 120.643 114.554 -0.106 0.000 2.791 239 T HA 0.419 4.769 4.350 0.000 0.000 0.288 239 T C -0.711 173.771 174.700 -0.364 0.000 0.999 239 T CA -0.325 61.643 62.100 -0.221 0.000 0.952 239 T CB 1.377 70.156 68.868 -0.148 0.000 0.938 239 T HN 0.255 nan 8.240 nan 0.000 0.444 240 V N 5.506 125.168 119.914 -0.421 0.000 2.333 240 V HA 0.442 4.562 4.120 0.000 0.000 0.274 240 V C -0.251 175.598 176.094 -0.409 0.000 1.028 240 V CA -0.723 61.356 62.300 -0.368 0.000 0.851 240 V CB -0.260 31.326 31.823 -0.396 0.000 1.000 240 V HN 0.702 nan 8.190 nan 0.000 0.456 241 F N 5.371 125.273 119.950 -0.079 0.000 2.348 241 F HA 0.479 5.006 4.527 0.000 0.000 0.308 241 F C -1.774 173.936 175.800 -0.149 0.000 1.175 241 F CA -2.335 55.547 58.000 -0.197 0.000 1.080 241 F CB 0.073 38.967 39.000 -0.176 0.000 1.341 241 F HN 0.287 nan 8.300 nan 0.000 0.518 242 P HA 0.006 nan 4.420 nan 0.000 0.265 242 P C -1.060 176.186 177.300 -0.089 0.000 1.193 242 P CA -0.109 62.851 63.100 -0.233 0.000 0.765 242 P CB 0.177 31.545 31.700 -0.554 0.000 0.823 243 Q N 2.992 122.665 119.800 -0.212 0.000 2.492 243 Q HA 0.133 4.473 4.340 0.000 0.000 0.238 243 Q C 0.114 175.964 176.000 -0.249 0.000 1.045 243 Q CA -0.484 54.963 55.803 -0.592 0.000 0.934 243 Q CB 0.742 28.889 28.738 -0.985 0.000 1.276 243 Q HN 0.337 nan 8.270 nan 0.000 0.521 244 R N 0.436 120.793 120.500 -0.237 0.000 2.490 244 R HA 0.080 4.420 4.340 0.000 0.000 0.280 244 R C 0.132 176.391 176.300 -0.069 0.000 1.077 244 R CA 0.641 56.695 56.100 -0.076 0.000 1.065 244 R CB 0.708 30.970 30.300 -0.065 0.000 1.003 244 R HN 0.971 nan 8.270 nan 0.000 0.470 245 S N 1.787 117.492 115.700 0.008 0.000 3.049 245 S HA -0.026 4.444 4.470 0.000 0.000 0.182 245 S C 0.848 175.460 174.600 0.019 0.000 0.725 245 S CA 0.163 58.377 58.200 0.024 0.000 0.811 245 S CB -0.106 63.147 63.200 0.088 0.000 0.801 245 S HN 0.812 nan 8.310 nan 0.000 0.627 246 D N 0.608 121.026 120.400 0.030 0.000 2.349 246 D HA 0.238 4.878 4.640 0.000 0.000 0.214 246 D C 1.388 177.654 176.300 -0.057 0.000 1.063 246 D CA 0.773 54.764 54.000 -0.014 0.000 0.847 246 D CB -0.230 40.559 40.800 -0.018 0.000 0.933 246 D HN 0.895 nan 8.370 nan 0.000 0.513 247 G N 1.389 110.160 108.800 -0.048 0.000 2.155 247 G HA2 -0.301 3.659 3.960 0.000 0.000 0.257 247 G HA3 -0.301 3.659 3.960 0.000 0.000 0.257 247 G C 0.944 175.780 174.900 -0.107 0.000 0.983 247 G CA 0.452 45.518 45.100 -0.056 0.000 0.676 247 G HN 0.377 nan 8.290 nan 0.000 0.528 248 K N 0.089 120.349 120.400 -0.233 0.000 2.358 248 K HA 0.165 4.485 4.320 0.000 0.000 0.200 248 K C 0.289 176.597 176.600 -0.488 0.000 1.030 248 K CA 0.093 56.156 56.287 -0.372 0.000 1.097 248 K CB 0.498 32.707 32.500 -0.486 0.000 0.862 248 K HN 0.593 nan 8.250 nan 0.000 0.534 249 H N 0.942 120.030 119.070 0.030 0.000 2.624 249 H HA 0.255 4.811 4.556 0.000 0.000 0.233 249 H C -0.878 174.492 175.328 0.069 0.000 1.376 249 H CA -0.853 55.215 56.048 0.034 0.000 1.137 249 H CB 0.203 29.999 29.762 0.056 0.000 1.867 249 H HN -0.054 nan 8.280 nan 0.000 0.547 250 D N 0.668 121.138 120.400 0.117 0.000 2.350 250 D HA 0.092 4.732 4.640 0.000 0.000 0.249 250 D C 0.017 176.384 176.300 0.112 0.000 1.119 250 D CA 0.172 54.258 54.000 0.143 0.000 0.886 250 D CB 0.681 41.531 40.800 0.083 0.000 1.195 250 D HN 0.073 nan 8.370 nan 0.000 0.437 251 F N 2.978 122.959 119.950 0.051 0.000 2.411 251 F HA 0.379 4.906 4.527 0.000 0.000 0.355 251 F C 0.853 176.672 175.800 0.031 0.000 1.117 251 F CA -0.190 57.816 58.000 0.010 0.000 1.139 251 F CB 0.703 39.698 39.000 -0.008 0.000 1.120 251 F HN -0.112 nan 8.300 nan 0.000 0.493 252 R N 3.778 124.365 120.500 0.144 0.000 2.626 252 R HA 0.462 4.802 4.340 0.000 0.000 0.274 252 R C -1.832 174.612 176.300 0.240 0.000 1.031 252 R CA -1.109 55.099 56.100 0.179 0.000 0.898 252 R CB 2.127 32.525 30.300 0.163 0.000 1.222 252 R HN 0.454 nan 8.270 nan 0.000 0.455 253 L N 2.147 123.491 121.223 0.202 0.000 2.262 253 L HA 0.346 4.686 4.340 0.000 0.000 0.288 253 L C 0.609 177.670 176.870 0.318 0.000 1.035 253 L CA -0.137 54.834 54.840 0.219 0.000 0.820 253 L CB 0.626 42.744 42.059 0.100 0.000 1.204 253 L HN 0.571 nan 8.230 nan 0.000 0.424 254 W N 1.002 122.357 121.300 0.091 0.000 2.848 254 W HA -0.004 4.656 4.660 0.000 0.000 0.241 254 W C 0.480 177.042 176.519 0.072 0.000 1.289 254 W CA -0.420 57.063 57.345 0.232 0.000 1.396 254 W CB -1.169 28.552 29.460 0.436 0.000 1.138 254 W HN 0.483 nan 8.180 nan 0.000 0.677 255 N N -0.659 118.060 118.700 0.031 0.000 2.515 255 N HA 0.104 4.844 4.740 0.000 0.000 0.279 255 N C 1.266 176.599 175.510 -0.296 0.000 1.164 255 N CA 0.450 53.232 53.050 -0.445 0.000 0.982 255 N CB 1.047 39.388 38.487 -0.244 0.000 1.170 255 N HN -0.162 nan 8.380 nan 0.000 0.474 256 S N 0.116 115.603 115.700 -0.355 0.000 2.458 256 S HA 0.077 4.547 4.470 0.000 0.000 0.223 256 S C 0.257 174.753 174.600 -0.174 0.000 1.019 256 S CA 0.415 58.506 58.200 -0.183 0.000 0.937 256 S CB 0.116 63.247 63.200 -0.115 0.000 0.788 256 S HN 0.625 nan 8.310 nan 0.000 0.511 257 Q N -0.582 119.090 119.800 -0.213 0.000 2.379 257 Q HA 0.446 4.786 4.340 0.000 0.000 0.278 257 Q C -0.390 175.456 176.000 -0.256 0.000 1.068 257 Q CA -0.751 54.919 55.803 -0.221 0.000 0.816 257 Q CB 1.817 30.452 28.738 -0.172 0.000 1.387 257 Q HN 0.004 nan 8.270 nan 0.000 0.413 258 L N 1.138 122.202 121.223 -0.265 0.000 2.013 258 L HA -0.066 4.274 4.340 0.000 0.000 0.212 258 L C 0.567 177.268 176.870 -0.281 0.000 1.073 258 L CA 1.964 56.660 54.840 -0.241 0.000 0.753 258 L CB -0.090 41.809 42.059 -0.267 0.000 0.890 258 L HN 0.542 nan 8.230 nan 0.000 0.432 259 I N -0.938 119.368 120.570 -0.440 0.000 2.389 259 I HA 0.381 4.551 4.170 0.000 0.000 0.288 259 I C 0.032 175.514 176.117 -1.058 0.000 0.999 259 I CA -0.371 60.533 61.300 -0.660 0.000 1.129 259 I CB 1.614 39.183 38.000 -0.719 0.000 1.288 259 I HN 0.045 nan 8.210 nan 0.000 0.444 260 R N 4.279 124.330 120.500 -0.749 0.000 2.629 260 R HA 0.432 4.772 4.340 0.000 0.000 0.266 260 R C -1.797 174.319 176.300 -0.306 0.000 1.051 260 R CA -0.791 54.969 56.100 -0.566 0.000 0.895 260 R CB 1.949 32.109 30.300 -0.233 0.000 1.246 260 R HN 0.322 nan 8.270 nan 0.000 0.459 261 Y N 0.725 121.048 120.300 0.038 0.000 2.304 261 Y HA 0.472 5.022 4.550 0.000 0.000 0.327 261 Y C 0.849 176.766 175.900 0.028 0.000 1.209 261 Y CA -0.243 57.908 58.100 0.086 0.000 1.299 261 Y CB 1.210 39.797 38.460 0.212 0.000 1.249 261 Y HN 0.642 nan 8.280 nan 0.000 0.519 262 A N 1.273 124.167 122.820 0.123 0.000 2.304 262 A HA 0.709 5.029 4.320 0.000 0.000 0.271 262 A C 0.384 177.761 177.584 -0.344 0.000 1.091 262 A CA 0.104 52.033 52.037 -0.180 0.000 0.812 262 A CB 0.007 18.810 19.000 -0.329 0.000 1.056 262 A HN 0.901 nan 8.150 nan 0.000 0.489 263 G N -0.341 108.186 108.800 -0.456 0.000 2.590 263 G HA2 0.583 4.543 3.960 0.000 0.000 0.310 263 G HA3 0.583 4.543 3.960 0.000 0.000 0.310 263 G C -1.443 173.203 174.900 -0.423 0.000 1.347 263 G CA -0.256 44.635 45.100 -0.349 0.000 0.963 263 G HN 0.501 nan 8.290 nan 0.000 0.494 264 Y N 0.167 120.482 120.300 0.025 0.000 2.376 264 Y HA 0.459 5.009 4.550 0.000 0.000 0.340 264 Y C 0.378 176.328 175.900 0.083 0.000 0.965 264 Y CA -0.947 57.186 58.100 0.054 0.000 1.078 264 Y CB 2.530 41.040 38.460 0.084 0.000 1.193 264 Y HN 0.494 nan 8.280 nan 0.000 0.452 265 Q N 4.047 123.988 119.800 0.235 0.000 2.406 265 Q HA 0.316 4.656 4.340 0.000 0.000 0.242 265 Q C -0.586 175.515 176.000 0.169 0.000 1.036 265 Q CA -0.785 55.110 55.803 0.153 0.000 0.904 265 Q CB 0.462 29.259 28.738 0.099 0.000 1.244 265 Q HN 0.574 nan 8.270 nan 0.000 0.478 266 M N 4.692 124.379 119.600 0.145 0.000 2.228 266 M HA 0.021 4.501 4.480 0.000 0.000 0.303 266 M C -1.343 174.981 176.300 0.040 0.000 1.099 266 M CA -1.868 53.484 55.300 0.086 0.000 1.171 266 M CB -0.493 32.138 32.600 0.050 0.000 1.412 266 M HN 0.501 nan 8.290 nan 0.000 0.447 267 P HA -0.148 nan 4.420 nan 0.000 0.220 267 P C 0.123 177.419 177.300 -0.006 0.000 1.148 267 P CA 1.350 64.442 63.100 -0.013 0.000 0.803 267 P CB -0.109 31.563 31.700 -0.048 0.000 0.782 268 D N -1.005 119.391 120.400 -0.005 0.000 2.325 268 D HA 0.110 4.750 4.640 0.000 0.000 0.234 268 D C 1.473 177.778 176.300 0.009 0.000 1.122 268 D CA 0.566 54.564 54.000 -0.002 0.000 0.850 268 D CB -0.479 40.318 40.800 -0.006 0.000 0.921 268 D HN 0.248 nan 8.370 nan 0.000 0.513 269 G N 0.751 109.560 108.800 0.017 0.000 2.304 269 G HA2 -0.337 3.623 3.960 0.000 0.000 0.252 269 G HA3 -0.337 3.623 3.960 0.000 0.000 0.252 269 G C 0.805 175.721 174.900 0.027 0.000 1.014 269 G CA 0.575 45.688 45.100 0.021 0.000 0.619 269 G HN 0.441 nan 8.290 nan 0.000 0.525 270 T N 0.687 115.256 114.554 0.026 0.000 2.616 270 T HA 0.469 4.819 4.350 0.000 0.000 0.327 270 T C 0.549 175.275 174.700 0.044 0.000 1.049 270 T CA 0.739 62.857 62.100 0.030 0.000 1.022 270 T CB 0.968 69.852 68.868 0.027 0.000 1.009 270 T HN 0.477 nan 8.240 nan 0.000 0.535 271 I N 0.615 121.208 120.570 0.039 0.000 2.548 271 I HA 0.358 4.528 4.170 0.000 0.000 0.287 271 I C -0.240 175.899 176.117 0.036 0.000 1.103 271 I CA -0.614 60.712 61.300 0.044 0.000 1.049 271 I CB 2.033 40.039 38.000 0.010 0.000 1.232 271 I HN 0.404 nan 8.210 nan 0.000 0.429 272 R N 4.607 125.167 120.500 0.100 0.000 2.445 272 R HA 0.760 5.100 4.340 0.000 0.000 0.308 272 R C 0.283 176.627 176.300 0.073 0.000 0.961 272 R CA 0.458 56.618 56.100 0.101 0.000 0.862 272 R CB 1.667 32.082 30.300 0.192 0.000 1.144 272 R HN 0.890 nan 8.270 nan 0.000 0.447 273 G N 2.755 111.502 108.800 -0.089 0.000 2.475 273 G HA2 -0.239 3.721 3.960 0.000 0.000 0.223 273 G HA3 -0.239 3.721 3.960 0.000 0.000 0.223 273 G C -1.317 173.303 174.900 -0.468 0.000 1.201 273 G CA -0.124 44.870 45.100 -0.176 0.000 0.962 273 G HN 0.617 nan 8.290 nan 0.000 0.586 274 D N 1.598 121.860 120.400 -0.231 0.000 2.359 274 D HA 0.623 5.263 4.640 0.000 0.000 0.230 274 D C 1.392 177.631 176.300 -0.102 0.000 1.118 274 D CA 0.629 54.516 54.000 -0.188 0.000 0.844 274 D CB 1.026 41.974 40.800 0.247 0.000 1.059 274 D HN 0.912 nan 8.370 nan 0.000 0.493 275 A N 3.601 126.346 122.820 -0.125 0.000 2.070 275 A HA -0.054 4.266 4.320 0.000 0.000 0.220 275 A C 1.950 179.541 177.584 0.010 0.000 1.159 275 A CA 1.588 53.596 52.037 -0.048 0.000 0.656 275 A CB -0.165 18.811 19.000 -0.041 0.000 0.800 275 A HN 0.601 nan 8.150 nan 0.000 0.453 276 A N -0.407 122.443 122.820 0.049 0.000 2.119 276 A HA 0.037 4.358 4.320 0.000 0.000 0.217 276 A C 2.048 179.686 177.584 0.089 0.000 1.153 276 A CA 1.845 53.933 52.037 0.085 0.000 0.692 276 A CB -0.770 18.308 19.000 0.129 0.000 0.799 276 A HN 0.744 nan 8.150 nan 0.000 0.458 277 T N -3.015 111.584 114.554 0.075 0.000 3.145 277 T HA 0.347 4.697 4.350 0.000 0.000 0.255 277 T C 1.438 176.160 174.700 0.037 0.000 1.039 277 T CA 0.032 62.184 62.100 0.086 0.000 0.928 277 T CB -0.362 68.563 68.868 0.095 0.000 1.029 277 T HN 0.231 nan 8.240 nan 0.000 0.554 278 L N 0.831 122.059 121.223 0.008 0.000 1.978 278 L HA -0.176 4.164 4.340 0.000 0.000 0.218 278 L C 2.905 179.760 176.870 -0.025 0.000 1.075 278 L CA 2.364 57.194 54.840 -0.017 0.000 0.767 278 L CB -0.478 41.584 42.059 0.006 0.000 0.890 278 L HN 0.445 nan 8.230 nan 0.000 0.434 279 E N -0.240 119.957 120.200 -0.006 0.000 2.007 279 E HA -0.287 4.063 4.350 0.000 0.000 0.194 279 E C 2.181 178.674 176.600 -0.177 0.000 0.999 279 E CA 1.556 57.914 56.400 -0.071 0.000 0.811 279 E CB -0.261 29.427 29.700 -0.022 0.000 0.762 279 E HN 0.297 nan 8.360 nan 0.000 0.450 280 F N 1.687 121.453 119.950 -0.307 0.000 2.091 280 F HA -0.259 4.268 4.527 0.000 0.000 0.299 280 F C 2.346 177.996 175.800 -0.251 0.000 1.103 280 F CA 2.208 59.987 58.000 -0.368 0.000 1.228 280 F CB -0.841 38.037 39.000 -0.204 0.000 0.984 280 F HN 0.040 nan 8.300 nan 0.000 0.477 281 T N -0.279 114.150 114.554 -0.208 0.000 2.699 281 T HA -0.310 4.040 4.350 0.000 0.000 0.268 281 T C 1.760 176.330 174.700 -0.216 0.000 1.036 281 T CA 1.762 63.692 62.100 -0.283 0.000 1.147 281 T CB -0.412 68.325 68.868 -0.219 0.000 0.862 281 T HN 0.282 nan 8.240 nan 0.000 0.446 282 Q N 0.544 120.248 119.800 -0.161 0.000 2.170 282 Q HA -0.018 4.322 4.340 0.000 0.000 0.203 282 Q C 2.054 177.957 176.000 -0.163 0.000 0.976 282 Q CA 1.058 56.800 55.803 -0.101 0.000 0.858 282 Q CB -0.681 28.012 28.738 -0.074 0.000 0.907 282 Q HN 0.444 nan 8.270 nan 0.000 0.433 283 L N -0.421 120.621 121.223 -0.300 0.000 1.994 283 L HA -0.154 4.186 4.340 0.000 0.000 0.208 283 L C 2.149 178.852 176.870 -0.277 0.000 1.071 283 L CA 1.839 56.497 54.840 -0.302 0.000 0.745 283 L CB -1.104 40.695 42.059 -0.433 0.000 0.892 283 L HN 0.366 nan 8.230 nan 0.000 0.431 284 C N -0.234 118.790 119.300 -0.459 0.000 2.401 284 C HA -0.193 4.267 4.460 0.000 0.000 0.276 284 C C 2.765 177.753 174.990 -0.003 0.000 1.233 284 C CA 1.068 59.876 59.018 -0.350 0.000 1.753 284 C CB -1.041 26.321 27.740 -0.631 0.000 2.029 284 C HN 0.588 nan 8.230 nan 0.000 0.478 285 I N 0.884 121.492 120.570 0.064 0.000 2.252 285 I HA -0.179 3.991 4.170 0.000 0.000 0.245 285 I C 2.129 178.259 176.117 0.021 0.000 1.102 285 I CA 1.542 62.916 61.300 0.123 0.000 1.385 285 I CB -0.663 37.400 38.000 0.104 0.000 1.064 285 I HN 0.355 nan 8.210 nan 0.000 0.414 286 D N 0.990 121.369 120.400 -0.036 0.000 2.178 286 D HA -0.115 4.525 4.640 0.000 0.000 0.201 286 D C 1.992 178.248 176.300 -0.073 0.000 0.980 286 D CA 1.158 55.119 54.000 -0.066 0.000 0.842 286 D CB -0.133 40.609 40.800 -0.097 0.000 0.948 286 D HN 0.339 nan 8.370 nan 0.000 0.472 287 L N -0.185 121.001 121.223 -0.062 0.000 2.645 287 L HA 0.133 4.473 4.340 0.000 0.000 0.235 287 L C 1.431 178.283 176.870 -0.030 0.000 1.150 287 L CA 0.313 55.119 54.840 -0.057 0.000 0.911 287 L CB -0.324 41.693 42.059 -0.070 0.000 1.077 287 L HN 0.125 nan 8.230 nan 0.000 0.438 288 G N -1.027 107.768 108.800 -0.009 0.000 2.175 288 G HA2 -0.313 3.647 3.960 0.000 0.000 0.244 288 G HA3 -0.313 3.647 3.960 0.000 0.000 0.244 288 G C -0.049 174.875 174.900 0.040 0.000 0.982 288 G CA -0.162 44.935 45.100 -0.006 0.000 0.641 288 G HN 0.407 nan 8.290 nan 0.000 0.527 289 W N 2.600 123.835 121.300 -0.109 0.000 2.181 289 W HA 0.609 5.269 4.660 0.000 0.000 0.335 289 W C 0.177 176.656 176.519 -0.067 0.000 1.310 289 W CA -0.437 56.852 57.345 -0.094 0.000 1.226 289 W CB 0.676 30.071 29.460 -0.109 0.000 1.155 289 W HN -0.073 nan 8.180 nan 0.000 0.565 290 K N 8.022 127.923 120.400 -0.831 0.000 2.263 290 K HA 0.219 4.539 4.320 0.000 0.000 0.282 290 K C -2.344 173.505 176.600 -1.252 0.000 1.089 290 K CA -1.947 53.879 56.287 -0.769 0.000 0.907 290 K CB 0.402 32.613 32.500 -0.481 0.000 1.148 290 K HN 0.330 nan 8.250 nan 0.000 0.470 291 P HA 0.192 nan 4.420 nan 0.000 0.271 291 P C -0.116 176.805 177.300 -0.631 0.000 1.233 291 P CA -0.203 62.401 63.100 -0.827 0.000 0.764 291 P CB 0.763 32.060 31.700 -0.671 0.000 0.825 292 R N 2.138 122.365 120.500 -0.455 0.000 2.297 292 R HA 0.084 4.424 4.340 0.000 0.000 0.197 292 R C 0.111 176.306 176.300 -0.174 0.000 0.943 292 R CA 0.039 56.024 56.100 -0.193 0.000 1.038 292 R CB -0.814 29.470 30.300 -0.026 0.000 0.957 292 R HN 0.424 nan 8.270 nan 0.000 0.484 293 Y N -1.166 118.690 120.300 -0.741 0.000 3.389 293 Y HA -0.251 4.299 4.550 0.000 0.000 0.213 293 Y C 0.704 176.471 175.900 -0.220 0.000 1.272 293 Y CA 0.661 58.192 58.100 -0.949 0.000 1.444 293 Y CB -1.833 36.271 38.460 -0.594 0.000 1.445 293 Y HN 0.230 nan 8.280 nan 0.000 0.583 294 G N -0.637 108.280 108.800 0.194 0.000 2.489 294 G HA2 0.539 4.500 3.960 0.000 0.000 0.327 294 G HA3 0.539 4.500 3.960 0.000 0.000 0.327 294 G C 0.510 175.540 174.900 0.217 0.000 1.189 294 G CA -0.874 44.349 45.100 0.206 0.000 0.962 294 G HN 0.255 nan 8.290 nan 0.000 0.486 295 R N -0.814 119.703 120.500 0.028 0.000 2.148 295 R HA 0.039 4.380 4.340 0.000 0.000 0.227 295 R C 0.068 175.989 176.300 -0.630 0.000 1.103 295 R CA 1.042 56.978 56.100 -0.274 0.000 0.983 295 R CB -0.088 29.947 30.300 -0.441 0.000 0.874 295 R HN 0.416 nan 8.270 nan 0.000 0.451 296 F N 0.493 120.430 119.950 -0.022 0.000 2.679 296 F HA 0.236 4.763 4.527 0.000 0.000 0.354 296 F C -0.884 174.908 175.800 -0.013 0.000 1.423 296 F CA -1.127 56.601 58.000 -0.453 0.000 1.141 296 F CB 0.674 39.262 39.000 -0.686 0.000 1.168 296 F HN -0.298 nan 8.300 nan 0.000 0.530 297 D N 1.725 122.332 120.400 0.345 0.000 2.380 297 D HA 0.178 4.818 4.640 0.000 0.000 0.230 297 D C 0.291 176.881 176.300 0.484 0.000 1.154 297 D CA 0.081 54.345 54.000 0.440 0.000 0.859 297 D CB 1.877 42.977 40.800 0.500 0.000 1.045 297 D HN -0.052 nan 8.370 nan 0.000 0.495 298 V N 3.507 123.689 119.914 0.447 0.000 2.617 298 V HA -0.075 4.045 4.120 0.000 0.000 0.304 298 V C 1.109 177.274 176.094 0.119 0.000 1.040 298 V CA 0.039 62.476 62.300 0.227 0.000 1.149 298 V CB 0.105 32.007 31.823 0.132 0.000 0.914 298 V HN 0.351 nan 8.190 nan 0.000 0.487 299 L N 7.973 129.162 121.223 -0.058 0.000 2.453 299 L HA 0.383 4.723 4.340 0.000 0.000 0.261 299 L C -1.691 175.023 176.870 -0.261 0.000 1.179 299 L CA -1.449 53.212 54.840 -0.299 0.000 0.813 299 L CB 0.927 42.869 42.059 -0.195 0.000 1.110 299 L HN 0.495 nan 8.230 nan 0.000 0.466 300 P HA 0.140 nan 4.420 nan 0.000 0.278 300 P C -1.052 176.222 177.300 -0.043 0.000 1.258 300 P CA -0.669 62.287 63.100 -0.240 0.000 0.811 300 P CB 1.125 32.559 31.700 -0.443 0.000 1.063 301 L N 1.576 122.853 121.223 0.091 0.000 2.331 301 L HA 0.196 4.536 4.340 0.000 0.000 0.278 301 L C 0.026 177.006 176.870 0.184 0.000 1.106 301 L CA -0.176 54.764 54.840 0.168 0.000 0.824 301 L CB 0.738 42.947 42.059 0.251 0.000 1.142 301 L HN 0.097 nan 8.230 nan 0.000 0.443 302 V N 6.275 126.308 119.914 0.199 0.000 2.305 302 V HA 0.380 4.500 4.120 0.000 0.000 0.275 302 V C -0.041 176.081 176.094 0.046 0.000 1.020 302 V CA -0.570 61.793 62.300 0.106 0.000 0.811 302 V CB 1.051 32.981 31.823 0.178 0.000 1.031 302 V HN 0.475 nan 8.190 nan 0.000 0.439 303 L N 4.194 125.436 121.223 0.031 0.000 2.309 303 L HA 0.658 4.998 4.340 0.000 0.000 0.282 303 L C -0.081 176.688 176.870 -0.168 0.000 1.036 303 L CA -0.407 54.410 54.840 -0.039 0.000 0.806 303 L CB 1.694 43.719 42.059 -0.057 0.000 1.220 303 L HN 0.595 nan 8.230 nan 0.000 0.429 304 Q N 2.800 122.495 119.800 -0.175 0.000 2.339 304 Q HA 0.680 5.020 4.340 0.000 0.000 0.268 304 Q C -1.485 174.332 176.000 -0.304 0.000 1.027 304 Q CA -0.564 55.104 55.803 -0.225 0.000 0.759 304 Q CB 1.992 30.694 28.738 -0.061 0.000 1.244 304 Q HN 0.797 nan 8.270 nan 0.000 0.464 305 A N 3.599 126.160 122.820 -0.431 0.000 2.337 305 A HA 0.436 4.756 4.320 0.000 0.000 0.329 305 A C -0.092 176.980 177.584 -0.854 0.000 1.146 305 A CA -0.075 51.397 52.037 -0.942 0.000 0.800 305 A CB 0.998 19.626 19.000 -0.621 0.000 1.220 305 A HN 1.031 nan 8.150 nan 0.000 0.472 306 D N 0.973 120.563 120.400 -1.350 0.000 2.701 306 D HA -0.122 4.518 4.640 0.000 0.000 0.235 306 D C 1.193 177.437 176.300 -0.093 0.000 1.155 306 D CA 2.663 56.421 54.000 -0.403 0.000 0.649 306 D CB -1.104 39.583 40.800 -0.187 0.000 1.050 306 D HN 2.120 nan 8.370 nan 0.000 0.425 307 G N -1.386 107.358 108.800 -0.093 0.000 2.184 307 G HA2 -0.368 3.592 3.960 0.000 0.000 0.264 307 G HA3 -0.368 3.592 3.960 0.000 0.000 0.264 307 G C 0.247 175.176 174.900 0.048 0.000 0.975 307 G CA 0.589 45.713 45.100 0.040 0.000 0.642 307 G HN 0.565 nan 8.290 nan 0.000 0.536 308 Q N 1.262 121.035 119.800 -0.044 0.000 2.417 308 Q HA 0.312 4.652 4.340 0.000 0.000 0.241 308 Q C 0.386 176.353 176.000 -0.055 0.000 1.008 308 Q CA -0.272 55.511 55.803 -0.033 0.000 0.901 308 Q CB 0.464 29.156 28.738 -0.077 0.000 1.259 308 Q HN 0.435 nan 8.270 nan 0.000 0.489 309 D N 2.462 122.844 120.400 -0.030 0.000 2.390 309 D HA 0.064 4.704 4.640 0.000 0.000 0.236 309 D C -2.006 174.095 176.300 -0.333 0.000 1.189 309 D CA -0.640 53.263 54.000 -0.163 0.000 0.887 309 D CB 0.003 40.827 40.800 0.040 0.000 1.198 309 D HN 0.268 nan 8.370 nan 0.000 0.444 310 P HA 0.147 nan 4.420 nan 0.000 0.275 310 P C -0.818 176.291 177.300 -0.319 0.000 1.227 310 P CA -0.132 62.570 63.100 -0.664 0.000 0.781 310 P CB 0.958 31.806 31.700 -1.421 0.000 0.906 311 E N 1.076 121.166 120.200 -0.184 0.000 2.199 311 E HA 0.361 4.711 4.350 0.000 0.000 0.269 311 E C -0.621 175.866 176.600 -0.187 0.000 0.899 311 E CA -1.186 55.105 56.400 -0.182 0.000 0.772 311 E CB 1.968 31.579 29.700 -0.149 0.000 1.155 311 E HN 0.184 nan 8.360 nan 0.000 0.408 312 V N 3.616 123.332 119.914 -0.330 0.000 2.461 312 V HA 0.301 4.421 4.120 0.000 0.000 0.275 312 V C -0.617 175.192 176.094 -0.474 0.000 1.047 312 V CA -0.265 61.892 62.300 -0.239 0.000 0.955 312 V CB -0.268 31.460 31.823 -0.158 0.000 0.988 312 V HN 0.485 nan 8.190 nan 0.000 0.471 313 F N 2.019 121.839 119.950 -0.216 0.000 2.529 313 F HA 0.526 5.053 4.527 0.000 0.000 0.320 313 F C 0.150 175.849 175.800 -0.168 0.000 1.118 313 F CA -1.013 56.750 58.000 -0.395 0.000 0.915 313 F CB 1.769 40.210 39.000 -0.933 0.000 1.161 313 F HN 0.468 nan 8.300 nan 0.000 0.445 314 E N 2.869 123.107 120.200 0.063 0.000 2.313 314 E HA 0.409 4.759 4.350 0.000 0.000 0.276 314 E C -0.755 176.036 176.600 0.319 0.000 1.031 314 E CA -0.114 56.397 56.400 0.185 0.000 0.857 314 E CB 0.657 30.465 29.700 0.179 0.000 1.040 314 E HN 0.496 nan 8.360 nan 0.000 0.408 315 I N 6.446 127.186 120.570 0.284 0.000 2.441 315 I HA 0.208 4.379 4.170 0.000 0.000 0.287 315 I C -1.875 174.368 176.117 0.209 0.000 1.049 315 I CA -2.223 59.247 61.300 0.283 0.000 1.381 315 I CB 1.043 39.126 38.000 0.139 0.000 1.409 315 I HN 0.466 nan 8.210 nan 0.000 0.523 316 P HA 0.056 nan 4.420 nan 0.000 0.261 316 P C -2.020 175.336 177.300 0.092 0.000 1.203 316 P CA -0.787 62.393 63.100 0.134 0.000 0.767 316 P CB 0.175 31.932 31.700 0.095 0.000 0.785 317 P HA -0.252 nan 4.420 nan 0.000 0.218 317 P C 0.568 177.904 177.300 0.061 0.000 1.154 317 P CA 1.578 64.728 63.100 0.084 0.000 0.872 317 P CB -0.115 31.638 31.700 0.088 0.000 0.790 318 D N -1.201 119.230 120.400 0.052 0.000 2.221 318 D HA -0.133 4.507 4.640 0.000 0.000 0.204 318 D C 1.703 178.019 176.300 0.027 0.000 0.982 318 D CA 0.800 54.821 54.000 0.036 0.000 0.857 318 D CB -0.584 40.234 40.800 0.031 0.000 0.934 318 D HN 0.204 nan 8.370 nan 0.000 0.475 319 L N 0.230 121.468 121.223 0.026 0.000 2.341 319 L HA 0.049 4.389 4.340 0.000 0.000 0.214 319 L C 0.309 177.187 176.870 0.015 0.000 1.115 319 L CA 0.191 55.038 54.840 0.012 0.000 0.820 319 L CB 0.234 42.290 42.059 -0.006 0.000 0.944 319 L HN -0.065 nan 8.230 nan 0.000 0.452 320 V N 2.321 122.250 119.914 0.024 0.000 2.356 320 V HA 0.102 4.222 4.120 0.000 0.000 0.258 320 V C 0.081 176.200 176.094 0.042 0.000 1.065 320 V CA -0.459 61.855 62.300 0.024 0.000 0.935 320 V CB 0.864 32.702 31.823 0.026 0.000 1.061 320 V HN 0.047 nan 8.190 nan 0.000 0.484 321 L N 5.880 127.129 121.223 0.043 0.000 2.331 321 L HA 0.510 4.850 4.340 0.000 0.000 0.278 321 L C 0.069 176.965 176.870 0.044 0.000 1.106 321 L CA 0.571 55.431 54.840 0.033 0.000 0.824 321 L CB 0.579 42.654 42.059 0.026 0.000 1.142 321 L HN 0.684 nan 8.230 nan 0.000 0.443 322 E N 3.298 123.505 120.200 0.012 0.000 2.343 322 E HA 0.579 4.929 4.350 0.000 0.000 0.270 322 E C -1.502 175.040 176.600 -0.096 0.000 0.895 322 E CA -1.019 55.383 56.400 0.004 0.000 0.767 322 E CB 2.511 32.249 29.700 0.064 0.000 1.248 322 E HN 0.384 nan 8.360 nan 0.000 0.440 323 V N 1.819 121.639 119.914 -0.156 0.000 2.409 323 V HA 0.271 4.391 4.120 0.000 0.000 0.291 323 V C -0.032 176.007 176.094 -0.092 0.000 1.020 323 V CA -0.781 61.372 62.300 -0.245 0.000 0.848 323 V CB 1.464 32.891 31.823 -0.660 0.000 0.990 323 V HN 0.832 nan 8.190 nan 0.000 0.430 324 T N 3.205 117.718 114.554 -0.069 0.000 2.832 324 T HA 0.574 4.924 4.350 0.000 0.000 0.296 324 T C -0.162 174.563 174.700 0.041 0.000 0.968 324 T CA -0.695 61.391 62.100 -0.024 0.000 1.107 324 T CB 0.891 69.745 68.868 -0.022 0.000 0.916 324 T HN 0.280 nan 8.240 nan 0.000 0.517 325 M N 3.506 123.169 119.600 0.105 0.000 2.217 325 M HA 0.348 4.828 4.480 0.000 0.000 0.354 325 M C 0.221 176.693 176.300 0.287 0.000 1.225 325 M CA -0.599 54.840 55.300 0.230 0.000 1.137 325 M CB -0.022 32.783 32.600 0.342 0.000 1.576 325 M HN 0.929 nan 8.290 nan 0.000 0.461 326 E N 1.837 122.182 120.200 0.242 0.000 2.363 326 E HA 0.297 4.647 4.350 0.000 0.000 0.281 326 E C -1.485 175.112 176.600 -0.006 0.000 0.953 326 E CA -0.898 55.635 56.400 0.222 0.000 0.778 326 E CB 1.187 30.990 29.700 0.172 0.000 1.220 326 E HN 0.616 nan 8.360 nan 0.000 0.431 327 H N 3.810 122.724 119.070 -0.261 0.000 2.473 327 H HA 0.239 4.795 4.556 0.000 0.000 0.327 327 H C -1.765 173.350 175.328 -0.355 0.000 1.105 327 H CA -2.211 53.562 56.048 -0.459 0.000 1.280 327 H CB 1.914 31.311 29.762 -0.608 0.000 1.450 327 H HN 0.444 nan 8.280 nan 0.000 0.492 328 P HA -0.022 nan 4.420 nan 0.000 0.251 328 P C 0.172 177.421 177.300 -0.085 0.000 1.251 328 P CA 0.616 63.404 63.100 -0.520 0.000 0.763 328 P CB 0.552 31.714 31.700 -0.897 0.000 1.067 329 K N -1.598 118.917 120.400 0.193 0.000 2.826 329 K HA 0.123 4.443 4.320 0.000 0.000 0.195 329 K C 0.244 176.691 176.600 -0.254 0.000 1.516 329 K CA 0.451 56.700 56.287 -0.063 0.000 1.213 329 K CB -0.086 32.327 32.500 -0.146 0.000 1.762 329 K HN 0.074 nan 8.250 nan 0.000 0.583 330 Y N 3.768 123.828 120.300 -0.400 0.000 2.504 330 Y HA 0.166 4.716 4.550 0.000 0.000 0.351 330 Y C 1.245 176.832 175.900 -0.522 0.000 0.988 330 Y CA -0.309 57.391 58.100 -0.667 0.000 1.239 330 Y CB 0.658 38.279 38.460 -1.398 0.000 1.128 330 Y HN -0.015 nan 8.280 nan 0.000 0.525 331 E N 3.213 123.326 120.200 -0.145 0.000 2.427 331 E HA -0.130 4.220 4.350 0.000 0.000 0.196 331 E C 1.483 178.127 176.600 0.073 0.000 1.028 331 E CA 0.412 56.808 56.400 -0.007 0.000 0.864 331 E CB -0.158 29.570 29.700 0.047 0.000 0.813 331 E HN 0.912 nan 8.360 nan 0.000 0.514 332 W N -0.822 120.583 121.300 0.176 0.000 2.905 332 W HA 0.087 4.747 4.660 0.000 0.000 0.251 332 W C 1.369 177.956 176.519 0.115 0.000 1.305 332 W CA -0.439 56.978 57.345 0.120 0.000 1.465 332 W CB -1.051 28.467 29.460 0.096 0.000 1.122 332 W HN -0.119 nan 8.180 nan 0.000 0.659 333 F N 2.849 122.616 119.950 -0.306 0.000 2.126 333 F HA -0.238 4.290 4.527 0.000 0.000 0.299 333 F C 2.603 178.399 175.800 -0.007 0.000 1.096 333 F CA 2.606 60.458 58.000 -0.247 0.000 1.255 333 F CB -0.422 38.355 39.000 -0.371 0.000 0.997 333 F HN -0.140 nan 8.300 nan 0.000 0.479 334 Q N 0.036 119.936 119.800 0.166 0.000 2.135 334 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 334 Q C 1.810 177.845 176.000 0.058 0.000 0.981 334 Q CA 1.915 57.788 55.803 0.116 0.000 0.856 334 Q CB -0.371 28.434 28.738 0.112 0.000 0.902 334 Q HN 0.518 nan 8.270 nan 0.000 0.425 335 E N 0.318 120.572 120.200 0.090 0.000 2.463 335 E HA -0.148 4.202 4.350 0.000 0.000 0.201 335 E C 1.440 178.062 176.600 0.036 0.000 1.045 335 E CA 0.471 56.921 56.400 0.083 0.000 0.872 335 E CB -0.087 29.695 29.700 0.138 0.000 0.797 335 E HN 0.427 nan 8.360 nan 0.000 0.538 336 L N -0.371 120.828 121.223 -0.039 0.000 2.341 336 L HA 0.078 4.418 4.340 0.000 0.000 0.214 336 L C 1.331 178.175 176.870 -0.043 0.000 1.115 336 L CA 0.375 55.156 54.840 -0.099 0.000 0.820 336 L CB -0.246 41.621 42.059 -0.321 0.000 0.944 336 L HN 0.203 nan 8.230 nan 0.000 0.452 337 G N 1.521 110.306 108.800 -0.026 0.000 2.324 337 G HA2 -0.258 3.702 3.960 0.000 0.000 0.292 337 G HA3 -0.258 3.702 3.960 0.000 0.000 0.292 337 G C -0.263 174.639 174.900 0.003 0.000 1.079 337 G CA -0.094 45.018 45.100 0.021 0.000 1.026 337 G HN 0.195 nan 8.290 nan 0.000 0.506 338 L N -0.404 120.750 121.223 -0.114 0.000 2.331 338 L HA 0.878 5.218 4.340 0.000 0.000 0.275 338 L C 0.475 177.201 176.870 -0.239 0.000 1.022 338 L CA -0.852 53.848 54.840 -0.232 0.000 0.812 338 L CB 2.083 43.918 42.059 -0.374 0.000 1.257 338 L HN 0.578 nan 8.230 nan 0.000 0.435 339 K N 1.086 121.251 120.400 -0.392 0.000 2.607 339 K HA 0.490 4.810 4.320 0.000 0.000 0.287 339 K C -2.128 174.551 176.600 0.132 0.000 0.996 339 K CA -1.066 55.132 56.287 -0.148 0.000 0.876 339 K CB 2.188 34.500 32.500 -0.313 0.000 1.496 339 K HN 0.569 nan 8.250 nan 0.000 0.415 340 W N 2.117 123.423 121.300 0.011 0.000 3.137 340 W HA 0.342 5.002 4.660 0.000 0.000 0.324 340 W C -1.190 175.358 176.519 0.049 0.000 1.253 340 W CA -0.854 56.526 57.345 0.058 0.000 1.183 340 W CB 1.604 30.941 29.460 -0.204 0.000 1.424 340 W HN 0.702 nan 8.180 nan 0.000 0.566 341 Y N 1.092 121.249 120.300 -0.238 0.000 2.397 341 Y HA 0.468 5.018 4.550 0.000 0.000 0.335 341 Y C 0.809 176.877 175.900 0.280 0.000 1.213 341 Y CA 0.283 58.340 58.100 -0.072 0.000 1.391 341 Y CB 0.185 38.481 38.460 -0.272 0.000 1.293 341 Y HN 0.343 nan 8.280 nan 0.000 0.557 342 A N 2.505 125.565 122.820 0.399 0.000 2.123 342 A HA 0.124 4.444 4.320 0.000 0.000 0.214 342 A C 0.349 178.292 177.584 0.598 0.000 1.152 342 A CA 0.136 52.475 52.037 0.503 0.000 0.728 342 A CB -0.194 18.934 19.000 0.213 0.000 0.814 342 A HN 0.655 nan 8.150 nan 0.000 0.464 343 L N 1.981 123.496 121.223 0.486 0.000 2.277 343 L HA 0.429 4.769 4.340 0.000 0.000 0.284 343 L C -2.604 174.392 176.870 0.210 0.000 1.028 343 L CA -2.200 52.810 54.840 0.282 0.000 0.835 343 L CB 1.649 43.783 42.059 0.126 0.000 1.215 343 L HN -0.046 nan 8.230 nan 0.000 0.425 344 P HA 0.394 nan 4.420 nan 0.000 0.295 344 P C -1.503 175.679 177.300 -0.197 0.000 1.354 344 P CA -0.369 62.566 63.100 -0.275 0.000 0.814 344 P CB 1.465 32.588 31.700 -0.962 0.000 0.935 345 A N 4.386 127.091 122.820 -0.192 0.000 2.375 345 A HA 0.428 4.748 4.320 0.000 0.000 0.291 345 A C -0.365 176.994 177.584 -0.376 0.000 1.160 345 A CA -0.696 51.167 52.037 -0.290 0.000 0.747 345 A CB 1.146 19.962 19.000 -0.308 0.000 1.170 345 A HN 0.296 nan 8.150 nan 0.000 0.458 346 V N 2.543 122.108 119.914 -0.582 0.000 2.479 346 V HA 0.312 4.432 4.120 0.000 0.000 0.281 346 V C 1.292 176.982 176.094 -0.674 0.000 1.031 346 V CA 1.105 63.022 62.300 -0.638 0.000 1.038 346 V CB 0.922 32.231 31.823 -0.856 0.000 0.981 346 V HN 1.107 nan 8.190 nan 0.000 0.478 347 A N 4.375 126.968 122.820 -0.378 0.000 2.085 347 A HA 0.083 4.403 4.320 0.000 0.000 0.208 347 A C 1.356 178.850 177.584 -0.150 0.000 1.191 347 A CA 0.522 52.408 52.037 -0.252 0.000 0.799 347 A CB -0.119 18.775 19.000 -0.177 0.000 0.877 347 A HN 0.912 nan 8.150 nan 0.000 0.473 348 N N -1.012 117.608 118.700 -0.133 0.000 2.273 348 N HA 0.273 5.014 4.740 0.000 0.000 0.231 348 N C 0.074 175.583 175.510 -0.001 0.000 1.134 348 N CA -0.233 52.785 53.050 -0.053 0.000 0.856 348 N CB 0.175 38.628 38.487 -0.057 0.000 1.068 348 N HN 0.306 nan 8.380 nan 0.000 0.510 349 M N 1.151 120.742 119.600 -0.014 0.000 2.368 349 M HA 0.361 4.841 4.480 0.000 0.000 0.311 349 M C -0.586 175.813 176.300 0.165 0.000 1.168 349 M CA -0.785 54.561 55.300 0.077 0.000 1.044 349 M CB 2.239 34.878 32.600 0.065 0.000 1.506 349 M HN 0.137 nan 8.290 nan 0.000 0.475 350 L N 2.360 123.721 121.223 0.229 0.000 2.341 350 L HA 0.550 4.890 4.340 0.000 0.000 0.278 350 L C -1.431 175.651 176.870 0.352 0.000 1.005 350 L CA -1.000 54.004 54.840 0.274 0.000 0.818 350 L CB 1.537 43.727 42.059 0.219 0.000 1.259 350 L HN 0.575 nan 8.230 nan 0.000 0.418 351 L N 4.739 126.174 121.223 0.353 0.000 2.292 351 L HA 0.491 4.831 4.340 0.000 0.000 0.284 351 L C -0.517 176.507 176.870 0.258 0.000 1.065 351 L CA 0.398 55.380 54.840 0.237 0.000 0.806 351 L CB 1.182 43.330 42.059 0.149 0.000 1.175 351 L HN 0.637 nan 8.230 nan 0.000 0.431 352 E N 4.568 124.860 120.200 0.153 0.000 2.210 352 E HA 0.573 4.923 4.350 0.000 0.000 0.266 352 E C -1.966 174.644 176.600 0.017 0.000 0.883 352 E CA -0.471 56.023 56.400 0.158 0.000 0.761 352 E CB 2.014 31.898 29.700 0.307 0.000 1.156 352 E HN 0.547 nan 8.360 nan 0.000 0.412 353 V N 2.733 122.630 119.914 -0.029 0.000 2.882 353 V HA 0.475 4.596 4.120 0.000 0.000 0.295 353 V C 0.280 176.253 176.094 -0.202 0.000 1.273 353 V CA 0.458 62.613 62.300 -0.242 0.000 0.949 353 V CB 1.437 32.980 31.823 -0.467 0.000 1.071 353 V HN 0.863 nan 8.190 nan 0.000 0.432 354 G N 4.158 112.882 108.800 -0.126 0.000 2.416 354 G HA2 0.093 4.053 3.960 0.000 0.000 0.301 354 G HA3 0.093 4.053 3.960 0.000 0.000 0.301 354 G C 1.651 176.738 174.900 0.312 0.000 0.985 354 G CA 1.638 46.879 45.100 0.234 0.000 0.934 354 G HN 2.785 nan 8.290 nan 0.000 0.513 355 G N -2.173 106.732 108.800 0.174 0.000 2.234 355 G HA2 -0.215 3.745 3.960 0.000 0.000 0.235 355 G HA3 -0.215 3.745 3.960 0.000 0.000 0.235 355 G C 0.466 175.422 174.900 0.094 0.000 0.997 355 G CA 0.373 45.591 45.100 0.196 0.000 0.623 355 G HN 1.258 nan 8.290 nan 0.000 0.514 356 L N 0.688 121.930 121.223 0.033 0.000 2.357 356 L HA 0.721 5.061 4.340 0.000 0.000 0.273 356 L C 0.182 176.983 176.870 -0.115 0.000 1.080 356 L CA -0.654 54.115 54.840 -0.118 0.000 0.803 356 L CB 1.283 43.188 42.059 -0.256 0.000 1.174 356 L HN 0.169 nan 8.230 nan 0.000 0.443 357 E N 1.930 121.991 120.200 -0.231 0.000 2.224 357 E HA 0.418 4.768 4.350 0.000 0.000 0.265 357 E C -1.606 174.856 176.600 -0.230 0.000 0.878 357 E CA -0.438 55.902 56.400 -0.100 0.000 0.759 357 E CB 2.025 31.686 29.700 -0.064 0.000 1.164 357 E HN 0.261 nan 8.360 nan 0.000 0.414 358 F N 3.769 123.738 119.950 0.031 0.000 2.311 358 F HA 0.264 4.791 4.527 0.000 0.000 0.371 358 F C -1.485 174.375 175.800 0.100 0.000 1.083 358 F CA -2.261 55.772 58.000 0.055 0.000 1.113 358 F CB 1.301 40.326 39.000 0.043 0.000 1.349 358 F HN 0.342 nan 8.300 nan 0.000 0.470 359 P HA -0.009 nan 4.420 nan 0.000 0.239 359 P C -0.087 177.340 177.300 0.211 0.000 1.184 359 P CA 0.600 63.806 63.100 0.178 0.000 0.760 359 P CB 0.448 32.218 31.700 0.116 0.000 0.884 360 A N 0.302 123.298 122.820 0.293 0.000 2.499 360 A HA 0.532 4.852 4.320 0.000 0.000 0.280 360 A C -0.216 177.605 177.584 0.395 0.000 1.135 360 A CA -0.420 51.816 52.037 0.332 0.000 0.744 360 A CB 0.240 19.455 19.000 0.359 0.000 1.213 360 A HN 0.266 nan 8.150 nan 0.000 0.434 361 C N 0.885 120.352 119.300 0.278 0.000 3.253 361 C HA 0.487 4.947 4.460 0.000 0.000 0.230 361 C C -2.873 172.183 174.990 0.109 0.000 1.124 361 C CA -1.517 57.609 59.018 0.180 0.000 1.143 361 C CB -0.229 27.605 27.740 0.158 0.000 1.794 361 C HN 0.579 nan 8.230 nan 0.000 0.617 362 P HA 0.357 nan 4.420 nan 0.000 0.268 362 P C -0.596 176.719 177.300 0.024 0.000 1.204 362 P CA 0.902 63.945 63.100 -0.095 0.000 0.768 362 P CB 0.585 32.256 31.700 -0.048 0.000 0.842 363 F N 0.395 120.286 119.950 -0.098 0.000 2.629 363 F HA 0.706 5.233 4.527 0.000 0.000 0.316 363 F C -0.775 174.908 175.800 -0.194 0.000 1.081 363 F CA -1.239 56.683 58.000 -0.131 0.000 0.954 363 F CB 1.678 40.437 39.000 -0.401 0.000 1.337 363 F HN 0.386 nan 8.300 nan 0.000 0.474 364 N N -0.205 118.575 118.700 0.134 0.000 2.591 364 N HA 0.696 5.436 4.740 0.000 0.000 0.263 364 N C -1.315 174.129 175.510 -0.110 0.000 1.308 364 N CA -0.404 52.642 53.050 -0.008 0.000 0.837 364 N CB 1.915 40.409 38.487 0.012 0.000 1.548 364 N HN 1.112 nan 8.380 nan 0.000 0.493 365 G N -0.748 107.948 108.800 -0.173 0.000 3.195 365 G HA2 0.688 4.648 3.960 0.000 0.000 0.217 365 G HA3 0.688 4.648 3.960 0.000 0.000 0.217 365 G C -1.814 173.041 174.900 -0.075 0.000 1.166 365 G CA -0.759 44.162 45.100 -0.298 0.000 0.812 365 G HN 0.696 nan 8.290 nan 0.000 0.617 366 W N -1.533 119.764 121.300 -0.006 0.000 2.799 366 W HA 0.811 5.471 4.660 0.000 0.000 0.349 366 W C -1.373 175.146 176.519 -0.000 0.000 1.100 366 W CA -2.201 55.157 57.345 0.022 0.000 1.174 366 W CB 0.392 29.903 29.460 0.085 0.000 1.427 366 W HN 0.413 nan 8.180 nan 0.000 0.547 367 Y N 2.417 122.899 120.300 0.304 0.000 2.457 367 Y HA 0.201 4.751 4.550 0.000 0.000 0.341 367 Y C 0.706 176.651 175.900 0.076 0.000 1.240 367 Y CA -0.302 57.856 58.100 0.096 0.000 1.437 367 Y CB 0.930 39.347 38.460 -0.071 0.000 1.328 367 Y HN 0.456 nan 8.280 nan 0.000 0.588 368 M N 2.500 122.244 119.600 0.240 0.000 2.181 368 M HA 0.365 4.845 4.480 0.000 0.000 0.323 368 M C 1.076 177.360 176.300 -0.028 0.000 1.004 368 M CA -0.177 55.188 55.300 0.108 0.000 0.941 368 M CB 1.312 33.962 32.600 0.084 0.000 1.579 368 M HN 0.836 nan 8.290 nan 0.000 0.427 369 G N 2.000 110.740 108.800 -0.100 0.000 2.679 369 G HA2 -0.385 3.575 3.960 0.000 0.000 0.222 369 G HA3 -0.385 3.575 3.960 0.000 0.000 0.222 369 G C 1.126 175.877 174.900 -0.248 0.000 1.164 369 G CA 2.147 47.123 45.100 -0.207 0.000 0.769 369 G HN 0.882 nan 8.290 nan 0.000 0.610 370 T N -0.749 113.675 114.554 -0.215 0.000 2.849 370 T HA -0.066 4.284 4.350 0.000 0.000 0.270 370 T C 1.943 176.475 174.700 -0.279 0.000 1.066 370 T CA 1.742 63.669 62.100 -0.288 0.000 1.130 370 T CB -0.347 68.299 68.868 -0.371 0.000 0.864 370 T HN 0.597 nan 8.240 nan 0.000 0.481 371 E N 0.926 120.987 120.200 -0.232 0.000 2.085 371 E HA -0.052 4.298 4.350 0.000 0.000 0.194 371 E C 2.085 178.418 176.600 -0.445 0.000 0.994 371 E CA 1.406 57.680 56.400 -0.210 0.000 0.801 371 E CB -0.286 29.434 29.700 0.034 0.000 0.743 371 E HN 0.609 nan 8.360 nan 0.000 0.453 372 I N 0.170 120.329 120.570 -0.685 0.000 2.499 372 I HA -0.014 4.156 4.170 0.000 0.000 0.243 372 I C 2.615 178.192 176.117 -0.901 0.000 1.085 372 I CA 0.717 61.320 61.300 -1.161 0.000 1.422 372 I CB -0.596 36.603 38.000 -1.335 0.000 1.165 372 I HN 0.089 nan 8.210 nan 0.000 0.440 373 G N 1.085 109.589 108.800 -0.493 0.000 2.446 373 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 373 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 373 G C 1.613 176.451 174.900 -0.104 0.000 1.168 373 G CA 1.365 46.367 45.100 -0.163 0.000 0.771 373 G HN 0.226 nan 8.290 nan 0.000 0.551 374 V N 0.202 120.001 119.914 -0.192 0.000 2.436 374 V HA 0.062 4.182 4.120 0.000 0.000 0.240 374 V C 2.846 178.856 176.094 -0.140 0.000 1.040 374 V CA 1.117 63.328 62.300 -0.148 0.000 1.052 374 V CB -0.351 31.354 31.823 -0.196 0.000 0.707 374 V HN 0.121 nan 8.190 nan 0.000 0.469 375 R N 0.725 121.104 120.500 -0.201 0.000 2.051 375 R HA -0.034 4.306 4.340 0.000 0.000 0.225 375 R C 2.017 178.230 176.300 -0.145 0.000 1.155 375 R CA 1.536 57.539 56.100 -0.163 0.000 0.945 375 R CB -1.165 29.030 30.300 -0.174 0.000 0.840 375 R HN 0.478 nan 8.270 nan 0.000 0.432 376 D N 0.359 120.568 120.400 -0.319 0.000 2.123 376 D HA -0.138 4.502 4.640 0.000 0.000 0.196 376 D C 1.889 178.151 176.300 -0.063 0.000 0.992 376 D CA 1.171 54.954 54.000 -0.363 0.000 0.833 376 D CB -0.149 39.933 40.800 -1.197 0.000 0.954 376 D HN 0.088 nan 8.370 nan 0.000 0.455 377 F N 0.338 120.180 119.950 -0.180 0.000 2.270 377 F HA 0.019 4.546 4.527 0.000 0.000 0.295 377 F C 2.435 178.267 175.800 0.054 0.000 1.087 377 F CA -0.122 57.864 58.000 -0.023 0.000 1.365 377 F CB -0.673 38.285 39.000 -0.069 0.000 1.056 377 F HN 0.023 nan 8.300 nan 0.000 0.506 378 C N -1.153 118.259 119.300 0.187 0.000 2.780 378 C HA 0.167 4.627 4.460 0.000 0.000 0.267 378 C C 0.441 175.469 174.990 0.064 0.000 1.266 378 C CA -0.761 58.323 59.018 0.110 0.000 1.709 378 C CB -0.792 26.980 27.740 0.053 0.000 1.975 378 C HN 0.092 nan 8.230 nan 0.000 0.582 379 D N 1.271 121.702 120.400 0.051 0.000 2.488 379 D HA 0.014 4.654 4.640 0.000 0.000 0.238 379 D C 1.403 177.733 176.300 0.051 0.000 1.138 379 D CA 0.571 54.589 54.000 0.029 0.000 0.873 379 D CB 0.859 41.672 40.800 0.023 0.000 1.183 379 D HN 0.217 nan 8.370 nan 0.000 0.458 380 T N 1.185 115.757 114.554 0.030 0.000 2.881 380 T HA -0.203 4.147 4.350 0.000 0.000 0.270 380 T C 1.350 176.070 174.700 0.033 0.000 1.068 380 T CA 1.292 63.413 62.100 0.034 0.000 1.131 380 T CB 0.018 68.898 68.868 0.021 0.000 0.871 380 T HN 0.495 nan 8.240 nan 0.000 0.479 381 Q N -0.390 119.429 119.800 0.031 0.000 2.320 381 Q HA 0.160 4.500 4.340 0.000 0.000 0.201 381 Q C 0.878 176.899 176.000 0.034 0.000 0.910 381 Q CA -0.209 55.611 55.803 0.029 0.000 0.946 381 Q CB 0.216 28.972 28.738 0.029 0.000 1.062 381 Q HN 0.362 nan 8.270 nan 0.000 0.503 382 R N -0.263 120.270 120.500 0.056 0.000 2.769 382 R HA 0.257 4.597 4.340 0.000 0.000 0.117 382 R C 1.453 177.773 176.300 0.032 0.000 1.152 382 R CA -0.406 55.745 56.100 0.084 0.000 0.887 382 R CB -1.164 29.252 30.300 0.193 0.000 1.099 382 R HN 0.048 nan 8.270 nan 0.000 0.398 383 Y N 1.512 121.922 120.300 0.183 0.000 2.439 383 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 383 Y C 0.669 176.643 175.900 0.125 0.000 1.130 383 Y CA 1.026 59.238 58.100 0.187 0.000 1.254 383 Y CB -0.299 38.359 38.460 0.331 0.000 1.000 383 Y HN 0.478 nan 8.280 nan 0.000 0.554 384 N N 0.706 119.541 118.700 0.226 0.000 2.688 384 N HA -0.228 4.513 4.740 0.000 0.000 0.258 384 N C 0.226 175.820 175.510 0.140 0.000 1.016 384 N CA 0.813 53.949 53.050 0.145 0.000 0.747 384 N CB -1.340 37.200 38.487 0.089 0.000 0.895 384 N HN 0.665 nan 8.380 nan 0.000 0.543 385 I N -2.959 117.703 120.570 0.154 0.000 3.861 385 I HA 0.157 4.327 4.170 0.000 0.000 0.329 385 I C 1.421 177.605 176.117 0.111 0.000 1.321 385 I CA -0.429 60.931 61.300 0.100 0.000 1.126 385 I CB -0.050 37.964 38.000 0.023 0.000 1.018 385 I HN 0.156 nan 8.210 nan 0.000 0.407 386 L N 1.729 123.036 121.223 0.140 0.000 2.093 386 L HA -0.129 4.211 4.340 0.000 0.000 0.208 386 L C 2.455 179.530 176.870 0.343 0.000 1.085 386 L CA 2.067 57.019 54.840 0.186 0.000 0.755 386 L CB -0.591 41.528 42.059 0.100 0.000 0.904 386 L HN 0.512 nan 8.230 nan 0.000 0.435 387 E N -1.035 119.352 120.200 0.311 0.000 2.158 387 E HA -0.260 4.090 4.350 0.000 0.000 0.191 387 E C 2.006 178.641 176.600 0.058 0.000 0.982 387 E CA 0.839 57.400 56.400 0.267 0.000 0.823 387 E CB 0.029 29.818 29.700 0.147 0.000 0.766 387 E HN 0.524 nan 8.360 nan 0.000 0.468 388 E N 0.321 120.552 120.200 0.052 0.000 2.051 388 E HA -0.163 4.187 4.350 0.000 0.000 0.192 388 E C 1.946 178.529 176.600 -0.027 0.000 0.991 388 E CA 1.714 58.106 56.400 -0.014 0.000 0.799 388 E CB -0.339 29.357 29.700 -0.006 0.000 0.748 388 E HN 0.174 nan 8.360 nan 0.000 0.449 389 V N 0.423 120.378 119.914 0.068 0.000 2.490 389 V HA -0.149 3.971 4.120 0.000 0.000 0.250 389 V C 2.268 178.430 176.094 0.115 0.000 1.061 389 V CA 1.801 64.191 62.300 0.151 0.000 1.064 389 V CB -1.011 30.956 31.823 0.240 0.000 0.670 389 V HN 0.511 nan 8.190 nan 0.000 0.461 390 G N 0.070 108.957 108.800 0.145 0.000 2.421 390 G HA2 -0.218 3.743 3.960 0.000 0.000 0.216 390 G HA3 -0.218 3.743 3.960 0.000 0.000 0.216 390 G C 1.722 176.550 174.900 -0.121 0.000 1.171 390 G CA 0.652 45.815 45.100 0.105 0.000 0.775 390 G HN 0.445 nan 8.290 nan 0.000 0.543 391 R N 0.077 120.458 120.500 -0.199 0.000 2.083 391 R HA 0.008 4.348 4.340 0.000 0.000 0.237 391 R C 2.576 178.704 176.300 -0.287 0.000 1.137 391 R CA 1.085 57.046 56.100 -0.231 0.000 0.951 391 R CB -0.341 29.839 30.300 -0.200 0.000 0.851 391 R HN 0.207 nan 8.270 nan 0.000 0.434 392 R N 0.244 120.488 120.500 -0.425 0.000 2.328 392 R HA -0.000 4.340 4.340 0.000 0.000 0.207 392 R C 1.612 177.443 176.300 -0.781 0.000 1.056 392 R CA 0.799 56.384 56.100 -0.858 0.000 1.016 392 R CB -0.005 29.387 30.300 -1.514 0.000 0.872 392 R HN 0.324 nan 8.270 nan 0.000 0.471 393 M N -1.051 118.388 119.600 -0.268 0.000 2.382 393 M HA 0.160 4.640 4.480 0.000 0.000 0.247 393 M C 0.645 176.964 176.300 0.031 0.000 1.104 393 M CA 0.222 55.556 55.300 0.055 0.000 1.030 393 M CB 1.078 33.773 32.600 0.157 0.000 1.424 393 M HN 0.272 nan 8.290 nan 0.000 0.486 394 G N 2.513 111.264 108.800 -0.082 0.000 2.272 394 G HA2 -0.226 3.735 3.960 0.000 0.000 0.280 394 G HA3 -0.226 3.735 3.960 0.000 0.000 0.280 394 G C -0.284 174.592 174.900 -0.040 0.000 1.067 394 G CA -0.077 44.981 45.100 -0.069 0.000 0.902 394 G HN 0.394 nan 8.290 nan 0.000 0.500 395 L N -0.961 120.225 121.223 -0.062 0.000 2.375 395 L HA 0.435 4.775 4.340 0.000 0.000 0.268 395 L C 1.049 177.826 176.870 -0.155 0.000 1.058 395 L CA -0.953 53.863 54.840 -0.040 0.000 0.803 395 L CB 0.891 42.986 42.059 0.061 0.000 1.212 395 L HN 0.179 nan 8.230 nan 0.000 0.451 396 E N 0.533 120.679 120.200 -0.091 0.000 2.778 396 E HA -0.040 4.310 4.350 0.000 0.000 0.318 396 E C 0.582 176.979 176.600 -0.338 0.000 1.309 396 E CA -0.128 56.206 56.400 -0.110 0.000 1.419 396 E CB -0.255 29.451 29.700 0.010 0.000 1.150 396 E HN 0.553 nan 8.360 nan 0.000 0.492 397 T N 0.145 114.318 114.554 -0.635 0.000 2.969 397 T HA -0.166 4.184 4.350 0.000 0.000 0.271 397 T C 0.692 174.930 174.700 -0.770 0.000 1.127 397 T CA 1.220 62.544 62.100 -1.294 0.000 1.102 397 T CB -0.183 68.079 68.868 -1.009 0.000 0.855 397 T HN 0.441 nan 8.240 nan 0.000 0.536 398 H N -0.485 118.407 119.070 -0.298 0.000 2.594 398 H HA 0.272 4.828 4.556 0.000 0.000 0.279 398 H C 0.155 175.494 175.328 0.019 0.000 1.042 398 H CA 0.052 56.047 56.048 -0.088 0.000 1.177 398 H CB 0.706 30.419 29.762 -0.081 0.000 1.524 398 H HN 0.067 nan 8.280 nan 0.000 0.537 399 T N 1.526 116.154 114.554 0.124 0.000 3.053 399 T HA 0.066 4.416 4.350 0.000 0.000 0.363 399 T C 1.075 175.943 174.700 0.280 0.000 1.239 399 T CA -0.321 61.877 62.100 0.164 0.000 1.071 399 T CB 0.804 69.745 68.868 0.122 0.000 1.089 399 T HN 0.089 nan 8.240 nan 0.000 0.527 400 L N 3.215 124.591 121.223 0.255 0.000 2.081 400 L HA -0.078 4.262 4.340 0.000 0.000 0.212 400 L C 2.384 179.335 176.870 0.135 0.000 1.080 400 L CA 1.968 56.941 54.840 0.222 0.000 0.754 400 L CB -0.581 41.551 42.059 0.121 0.000 0.893 400 L HN 0.675 nan 8.230 nan 0.000 0.433 401 A N -1.672 121.217 122.820 0.115 0.000 2.239 401 A HA -0.079 4.242 4.320 0.000 0.000 0.209 401 A C 2.281 179.922 177.584 0.095 0.000 1.171 401 A CA 1.125 53.210 52.037 0.079 0.000 0.768 401 A CB -0.813 18.225 19.000 0.064 0.000 0.790 401 A HN 0.630 nan 8.150 nan 0.000 0.478 402 S N -0.674 115.120 115.700 0.156 0.000 2.522 402 S HA 0.142 4.612 4.470 0.000 0.000 0.227 402 S C 0.867 175.559 174.600 0.153 0.000 0.986 402 S CA 0.597 58.895 58.200 0.162 0.000 0.929 402 S CB -0.630 62.694 63.200 0.207 0.000 0.769 402 S HN 0.804 nan 8.310 nan 0.000 0.529 403 L N 0.414 121.702 121.223 0.109 0.000 4.089 403 L HA -0.162 4.178 4.340 0.000 0.000 0.408 403 L C 1.584 178.482 176.870 0.047 0.000 1.184 403 L CA 0.771 55.622 54.840 0.017 0.000 0.947 403 L CB -2.565 39.510 42.059 0.026 0.000 2.066 403 L HN 0.766 nan 8.230 nan 0.000 0.851 404 W N 0.276 121.588 121.300 0.020 0.000 2.374 404 W HA -0.127 4.534 4.660 0.000 0.000 0.288 404 W C 1.658 178.190 176.519 0.022 0.000 1.218 404 W CA 1.232 58.591 57.345 0.023 0.000 1.245 404 W CB -0.675 28.795 29.460 0.017 0.000 1.126 404 W HN 0.268 nan 8.180 nan 0.000 0.545 405 K N 0.916 120.837 120.400 -0.798 0.000 2.097 405 K HA -0.152 4.168 4.320 0.000 0.000 0.205 405 K C 1.479 177.909 176.600 -0.284 0.000 1.050 405 K CA 2.154 57.963 56.287 -0.796 0.000 0.938 405 K CB -0.291 31.637 32.500 -0.955 0.000 0.718 405 K HN -0.004 nan 8.250 nan 0.000 0.442 406 D N 0.336 120.623 120.400 -0.189 0.000 2.117 406 D HA -0.103 4.537 4.640 0.000 0.000 0.197 406 D C 1.910 178.207 176.300 -0.006 0.000 0.987 406 D CA 1.085 55.038 54.000 -0.079 0.000 0.829 406 D CB 0.022 40.794 40.800 -0.046 0.000 0.961 406 D HN 0.085 nan 8.370 nan 0.000 0.460 407 R N 0.299 120.824 120.500 0.041 0.000 2.066 407 R HA 0.027 4.367 4.340 0.000 0.000 0.232 407 R C 2.231 178.598 176.300 0.110 0.000 1.131 407 R CA 1.256 57.414 56.100 0.098 0.000 0.955 407 R CB -0.254 30.135 30.300 0.148 0.000 0.851 407 R HN 0.143 nan 8.270 nan 0.000 0.432 408 A N 0.381 123.284 122.820 0.139 0.000 1.845 408 A HA -0.149 4.171 4.320 0.000 0.000 0.215 408 A C 2.237 179.887 177.584 0.111 0.000 1.195 408 A CA 1.561 53.694 52.037 0.161 0.000 0.616 408 A CB -1.057 18.095 19.000 0.253 0.000 0.832 408 A HN 0.219 nan 8.150 nan 0.000 0.443 409 V N 0.071 120.017 119.914 0.054 0.000 2.439 409 V HA -0.259 3.861 4.120 0.000 0.000 0.253 409 V C 2.534 178.649 176.094 0.035 0.000 1.074 409 V CA 2.987 65.305 62.300 0.031 0.000 1.076 409 V CB -0.869 30.933 31.823 -0.035 0.000 0.664 409 V HN 0.670 nan 8.190 nan 0.000 0.461 410 T N -0.528 114.052 114.554 0.044 0.000 2.857 410 T HA -0.095 4.255 4.350 0.000 0.000 0.266 410 T C 1.773 176.514 174.700 0.068 0.000 1.048 410 T CA 1.340 63.474 62.100 0.057 0.000 1.139 410 T CB -0.196 68.715 68.868 0.071 0.000 0.874 410 T HN 0.505 nan 8.240 nan 0.000 0.455 411 E N 0.996 121.246 120.200 0.084 0.000 2.152 411 E HA 0.058 4.409 4.350 0.000 0.000 0.192 411 E C 2.185 178.811 176.600 0.043 0.000 0.983 411 E CA 0.544 57.005 56.400 0.101 0.000 0.818 411 E CB -0.292 29.413 29.700 0.009 0.000 0.758 411 E HN 0.529 nan 8.360 nan 0.000 0.467 412 I N 0.973 121.602 120.570 0.099 0.000 2.315 412 I HA -0.250 3.920 4.170 0.000 0.000 0.248 412 I C 1.947 178.095 176.117 0.053 0.000 1.117 412 I CA 0.928 62.321 61.300 0.155 0.000 1.404 412 I CB -0.337 37.812 38.000 0.247 0.000 1.071 412 I HN 0.095 nan 8.210 nan 0.000 0.419 413 N N 0.124 118.836 118.700 0.021 0.000 2.244 413 N HA -0.120 4.621 4.740 0.000 0.000 0.183 413 N C 1.822 177.308 175.510 -0.040 0.000 1.016 413 N CA 0.703 53.743 53.050 -0.015 0.000 0.866 413 N CB 0.232 38.714 38.487 -0.008 0.000 0.980 413 N HN 0.081 nan 8.380 nan 0.000 0.430 414 V N 0.831 120.697 119.914 -0.079 0.000 2.488 414 V HA -0.092 4.029 4.120 0.000 0.000 0.246 414 V C 2.227 178.151 176.094 -0.283 0.000 1.046 414 V CA 1.556 63.760 62.300 -0.161 0.000 1.053 414 V CB -0.600 31.104 31.823 -0.199 0.000 0.679 414 V HN 0.303 nan 8.190 nan 0.000 0.458 415 A N 0.055 122.633 122.820 -0.404 0.000 1.877 415 A HA -0.151 4.169 4.320 0.000 0.000 0.216 415 A C 2.408 179.928 177.584 -0.106 0.000 1.186 415 A CA 2.045 53.789 52.037 -0.489 0.000 0.620 415 A CB -0.725 17.644 19.000 -1.051 0.000 0.822 415 A HN 0.299 nan 8.150 nan 0.000 0.443 416 V N 0.094 120.002 119.914 -0.009 0.000 2.287 416 V HA -0.272 3.848 4.120 0.000 0.000 0.248 416 V C 2.600 178.745 176.094 0.085 0.000 1.053 416 V CA 2.076 64.431 62.300 0.093 0.000 1.027 416 V CB -0.723 31.096 31.823 -0.007 0.000 0.646 416 V HN 0.556 nan 8.190 nan 0.000 0.447 417 L N -0.810 120.414 121.223 0.002 0.000 2.005 417 L HA -0.185 4.155 4.340 0.000 0.000 0.207 417 L C 2.654 179.569 176.870 0.075 0.000 1.072 417 L CA 2.055 56.903 54.840 0.012 0.000 0.744 417 L CB -0.965 41.093 42.059 -0.001 0.000 0.895 417 L HN 0.484 nan 8.230 nan 0.000 0.433 418 H N 0.020 119.059 119.070 -0.053 0.000 2.319 418 H HA -0.183 4.373 4.556 0.000 0.000 0.297 418 H C 2.243 177.567 175.328 -0.007 0.000 1.097 418 H CA 2.078 58.087 56.048 -0.065 0.000 1.285 418 H CB 0.224 29.883 29.762 -0.171 0.000 1.368 418 H HN 0.244 nan 8.280 nan 0.000 0.495 419 S N 0.123 115.791 115.700 -0.053 0.000 2.383 419 S HA -0.132 4.338 4.470 0.000 0.000 0.229 419 S C 1.981 176.549 174.600 -0.053 0.000 1.030 419 S CA 1.334 59.491 58.200 -0.071 0.000 1.002 419 S CB -0.465 62.783 63.200 0.080 0.000 0.829 419 S HN 0.299 nan 8.310 nan 0.000 0.467 420 F N 1.643 121.536 119.950 -0.096 0.000 2.113 420 F HA -0.069 4.458 4.527 0.000 0.000 0.297 420 F C 2.659 178.403 175.800 -0.093 0.000 1.103 420 F CA 1.118 59.080 58.000 -0.064 0.000 1.248 420 F CB -0.690 38.291 39.000 -0.032 0.000 0.999 420 F HN 0.126 nan 8.300 nan 0.000 0.475 421 Q N 0.021 119.864 119.800 0.072 0.000 2.061 421 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 421 Q C 2.151 178.092 176.000 -0.098 0.000 0.984 421 Q CA 2.038 57.829 55.803 -0.019 0.000 0.846 421 Q CB -0.255 28.464 28.738 -0.033 0.000 0.902 421 Q HN 0.128 nan 8.270 nan 0.000 0.421 422 K N 0.866 121.140 120.400 -0.210 0.000 2.020 422 K HA -0.211 4.109 4.320 0.000 0.000 0.212 422 K C 1.517 178.033 176.600 -0.141 0.000 1.050 422 K CA 1.772 57.922 56.287 -0.229 0.000 0.929 422 K CB -0.052 32.220 32.500 -0.380 0.000 0.714 422 K HN 0.196 nan 8.250 nan 0.000 0.443 423 Q N 0.339 120.053 119.800 -0.143 0.000 2.415 423 Q HA 0.088 4.428 4.340 0.000 0.000 0.206 423 Q C -0.510 175.430 176.000 -0.099 0.000 0.946 423 Q CA 0.043 55.771 55.803 -0.125 0.000 0.951 423 Q CB 0.095 28.732 28.738 -0.168 0.000 1.026 423 Q HN 0.367 nan 8.270 nan 0.000 0.510 424 N N 0.048 118.703 118.700 -0.075 0.000 2.740 424 N HA -0.143 4.597 4.740 0.000 0.000 0.248 424 N C -1.238 174.253 175.510 -0.032 0.000 1.062 424 N CA 0.558 53.579 53.050 -0.049 0.000 0.704 424 N CB -1.317 37.140 38.487 -0.049 0.000 0.968 424 N HN 0.025 nan 8.380 nan 0.000 0.547 425 V N 1.096 121.006 119.914 -0.007 0.000 2.370 425 V HA 0.193 4.313 4.120 0.000 0.000 0.283 425 V C 0.937 177.159 176.094 0.213 0.000 1.023 425 V CA -0.570 61.770 62.300 0.067 0.000 0.857 425 V CB 1.789 33.572 31.823 -0.066 0.000 0.985 425 V HN 0.155 nan 8.190 nan 0.000 0.443 426 T N 6.848 121.461 114.554 0.100 0.000 2.849 426 T HA 0.273 4.623 4.350 0.000 0.000 0.289 426 T C -0.219 174.531 174.700 0.084 0.000 1.010 426 T CA 1.133 63.215 62.100 -0.030 0.000 1.161 426 T CB -0.145 68.576 68.868 -0.245 0.000 0.989 426 T HN 0.564 nan 8.240 nan 0.000 0.523 427 I N 2.717 123.278 120.570 -0.015 0.000 3.102 427 I HA 0.701 4.872 4.170 0.000 0.000 0.310 427 I C -1.387 174.721 176.117 -0.016 0.000 1.246 427 I CA -1.292 59.994 61.300 -0.022 0.000 0.979 427 I CB 2.221 40.091 38.000 -0.218 0.000 1.267 427 I HN 0.646 nan 8.210 nan 0.000 0.451 428 M N 4.142 123.781 119.600 0.064 0.000 2.378 428 M HA 0.402 4.883 4.480 0.000 0.000 0.289 428 M C -1.905 174.443 176.300 0.081 0.000 1.136 428 M CA -0.514 54.848 55.300 0.104 0.000 0.917 428 M CB 1.867 34.621 32.600 0.256 0.000 1.669 428 M HN 0.657 nan 8.290 nan 0.000 0.461 429 D N 2.051 122.495 120.400 0.074 0.000 2.329 429 D HA 0.148 4.788 4.640 0.000 0.000 0.246 429 D C 1.174 177.532 176.300 0.096 0.000 1.111 429 D CA -0.167 53.893 54.000 0.100 0.000 0.941 429 D CB 0.616 41.461 40.800 0.075 0.000 1.169 429 D HN 0.690 nan 8.370 nan 0.000 0.441 430 H N 0.707 119.739 119.070 -0.064 0.000 2.421 430 H HA -0.166 4.390 4.556 0.000 0.000 0.298 430 H C 1.090 176.332 175.328 -0.144 0.000 1.087 430 H CA 1.480 57.446 56.048 -0.136 0.000 1.330 430 H CB -0.748 28.873 29.762 -0.235 0.000 1.388 430 H HN 0.559 nan 8.280 nan 0.000 0.526 431 H N 0.766 119.608 119.070 -0.381 0.000 2.326 431 H HA -0.045 4.511 4.556 0.000 0.000 0.301 431 H C 1.939 177.229 175.328 -0.063 0.000 1.081 431 H CA 1.978 57.892 56.048 -0.224 0.000 1.334 431 H CB -0.215 29.387 29.762 -0.266 0.000 1.385 431 H HN 0.405 nan 8.280 nan 0.000 0.504 432 T N 1.014 115.617 114.554 0.081 0.000 2.821 432 T HA -0.046 4.304 4.350 0.000 0.000 0.267 432 T C 2.334 177.099 174.700 0.108 0.000 1.046 432 T CA 1.004 63.157 62.100 0.088 0.000 1.139 432 T CB -0.311 68.604 68.868 0.079 0.000 0.871 432 T HN 0.422 nan 8.240 nan 0.000 0.454 433 A N 1.383 124.266 122.820 0.106 0.000 1.877 433 A HA -0.094 4.226 4.320 0.000 0.000 0.216 433 A C 2.631 180.301 177.584 0.143 0.000 1.186 433 A CA 1.955 54.071 52.037 0.131 0.000 0.620 433 A CB -1.016 18.049 19.000 0.109 0.000 0.822 433 A HN 0.419 nan 8.150 nan 0.000 0.443 434 S N -0.845 114.916 115.700 0.101 0.000 2.370 434 S HA -0.203 4.267 4.470 0.000 0.000 0.226 434 S C 1.981 176.694 174.600 0.189 0.000 1.033 434 S CA 1.641 59.916 58.200 0.125 0.000 1.011 434 S CB -0.265 62.973 63.200 0.063 0.000 0.852 434 S HN 0.741 nan 8.310 nan 0.000 0.457 435 E N 0.995 121.283 120.200 0.147 0.000 2.072 435 E HA -0.143 4.207 4.350 0.000 0.000 0.191 435 E C 2.182 178.866 176.600 0.139 0.000 0.985 435 E CA 1.433 57.913 56.400 0.133 0.000 0.801 435 E CB -0.139 29.622 29.700 0.102 0.000 0.750 435 E HN 0.600 nan 8.360 nan 0.000 0.452 436 S N -0.131 115.661 115.700 0.152 0.000 2.383 436 S HA -0.174 4.296 4.470 0.000 0.000 0.227 436 S C 1.941 176.647 174.600 0.176 0.000 1.026 436 S CA 0.788 59.076 58.200 0.146 0.000 0.981 436 S CB -0.652 62.638 63.200 0.151 0.000 0.818 436 S HN 0.432 nan 8.310 nan 0.000 0.472 437 F N 2.303 122.312 119.950 0.098 0.000 2.161 437 F HA 0.006 4.533 4.527 0.000 0.000 0.300 437 F C 2.310 178.197 175.800 0.145 0.000 1.089 437 F CA 1.450 59.524 58.000 0.125 0.000 1.282 437 F CB -0.347 38.708 39.000 0.092 0.000 1.010 437 F HN 0.101 nan 8.300 nan 0.000 0.485 438 M N 0.074 119.730 119.600 0.093 0.000 2.159 438 M HA -0.190 4.290 4.480 0.000 0.000 0.263 438 M C 2.192 178.449 176.300 -0.073 0.000 1.063 438 M CA 1.519 56.818 55.300 -0.001 0.000 1.110 438 M CB -1.060 31.601 32.600 0.103 0.000 1.374 438 M HN 0.093 nan 8.290 nan 0.000 0.411 439 K N -0.434 119.960 120.400 -0.011 0.000 2.097 439 K HA -0.194 4.126 4.320 0.000 0.000 0.206 439 K C 1.943 178.525 176.600 -0.030 0.000 1.049 439 K CA 1.649 57.934 56.287 -0.004 0.000 0.933 439 K CB -0.486 32.038 32.500 0.039 0.000 0.717 439 K HN 0.369 nan 8.250 nan 0.000 0.442 440 H N -0.219 118.752 119.070 -0.165 0.000 2.326 440 H HA -0.026 4.530 4.556 0.000 0.000 0.301 440 H C 1.964 177.129 175.328 -0.271 0.000 1.081 440 H CA 2.383 58.312 56.048 -0.198 0.000 1.334 440 H CB -0.212 29.410 29.762 -0.234 0.000 1.385 440 H HN 0.236 nan 8.280 nan 0.000 0.504 441 M N -0.049 119.203 119.600 -0.580 0.000 2.202 441 M HA -0.242 4.238 4.480 0.000 0.000 0.262 441 M C 1.897 178.112 176.300 -0.141 0.000 1.063 441 M CA 1.898 56.925 55.300 -0.455 0.000 1.097 441 M CB 0.004 32.357 32.600 -0.412 0.000 1.382 441 M HN 0.462 nan 8.290 nan 0.000 0.413 442 Q N -0.222 119.494 119.800 -0.140 0.000 2.123 442 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 442 Q C 1.718 177.683 176.000 -0.057 0.000 0.966 442 Q CA 1.370 57.137 55.803 -0.060 0.000 0.845 442 Q CB -0.114 28.586 28.738 -0.063 0.000 0.907 442 Q HN 0.601 nan 8.270 nan 0.000 0.439 443 N N 0.646 119.278 118.700 -0.114 0.000 2.120 443 N HA -0.151 4.589 4.740 0.000 0.000 0.188 443 N C 1.582 177.005 175.510 -0.144 0.000 1.024 443 N CA 1.012 54.007 53.050 -0.091 0.000 0.852 443 N CB -0.117 38.341 38.487 -0.049 0.000 1.003 443 N HN 0.224 nan 8.380 nan 0.000 0.424 444 E N 0.494 120.515 120.200 -0.298 0.000 2.051 444 E HA -0.144 4.206 4.350 0.000 0.000 0.192 444 E C 1.984 178.422 176.600 -0.269 0.000 0.991 444 E CA 0.947 57.131 56.400 -0.360 0.000 0.799 444 E CB -0.583 28.783 29.700 -0.556 0.000 0.748 444 E HN 0.491 nan 8.360 nan 0.000 0.449 445 Y N 0.795 120.990 120.300 -0.176 0.000 2.224 445 Y HA -0.141 4.409 4.550 0.000 0.000 0.289 445 Y C 2.681 178.529 175.900 -0.085 0.000 1.146 445 Y CA 1.559 59.593 58.100 -0.110 0.000 1.182 445 Y CB -0.114 38.281 38.460 -0.109 0.000 0.983 445 Y HN -0.020 nan 8.280 nan 0.000 0.524 446 R N -0.163 120.361 120.500 0.040 0.000 2.093 446 R HA -0.062 4.278 4.340 0.000 0.000 0.224 446 R C 2.223 178.514 176.300 -0.015 0.000 1.101 446 R CA 1.053 57.160 56.100 0.011 0.000 0.979 446 R CB -0.247 30.052 30.300 -0.000 0.000 0.877 446 R HN 0.272 nan 8.270 nan 0.000 0.441 447 A N 1.475 124.266 122.820 -0.048 0.000 1.855 447 A HA -0.083 4.237 4.320 0.000 0.000 0.213 447 A C 1.546 179.092 177.584 -0.064 0.000 1.195 447 A CA 1.256 53.264 52.037 -0.048 0.000 0.610 447 A CB -0.058 18.907 19.000 -0.059 0.000 0.837 447 A HN 0.482 nan 8.150 nan 0.000 0.444 448 R N -1.950 118.479 120.500 -0.118 0.000 2.637 448 R HA 0.413 4.753 4.340 0.000 0.000 0.446 448 R C 0.591 176.803 176.300 -0.147 0.000 1.024 448 R CA 0.215 56.246 56.100 -0.115 0.000 1.080 448 R CB -0.750 29.473 30.300 -0.128 0.000 1.421 448 R HN 0.728 nan 8.270 nan 0.000 0.593 449 G N 0.102 108.821 108.800 -0.134 0.000 2.395 449 G HA2 -0.053 3.907 3.960 0.000 0.000 0.300 449 G HA3 -0.053 3.907 3.960 0.000 0.000 0.300 449 G C 0.297 174.985 174.900 -0.353 0.000 0.998 449 G CA 0.437 45.462 45.100 -0.125 0.000 1.046 449 G HN 1.010 nan 8.290 nan 0.000 0.513 450 G N -2.529 105.761 108.800 -0.850 0.000 2.339 450 G HA2 0.555 4.516 3.960 0.000 0.000 0.302 450 G HA3 0.555 4.516 3.960 0.000 0.000 0.302 450 G C -0.823 173.567 174.900 -0.850 0.000 1.425 450 G CA 0.237 44.670 45.100 -1.112 0.000 0.899 450 G HN 2.011 nan 8.290 nan 0.000 0.619 451 C N 2.086 121.089 119.300 -0.495 0.000 3.029 451 C HA 0.604 5.064 4.460 0.000 0.000 0.396 451 C C -2.636 172.276 174.990 -0.131 0.000 1.072 451 C CA -1.026 57.843 59.018 -0.249 0.000 1.269 451 C CB 1.078 28.696 27.740 -0.203 0.000 1.684 451 C HN 0.726 nan 8.230 nan 0.000 0.510 452 P HA 0.364 nan 4.420 nan 0.000 0.266 452 P C -0.502 176.685 177.300 -0.188 0.000 1.215 452 P CA 0.774 63.489 63.100 -0.642 0.000 0.763 452 P CB 0.858 32.085 31.700 -0.788 0.000 0.806 453 A N 3.045 125.820 122.820 -0.076 0.000 2.427 453 A HA 0.419 4.739 4.320 0.000 0.000 0.298 453 A C -0.928 176.713 177.584 0.095 0.000 1.036 453 A CA -0.569 51.522 52.037 0.090 0.000 0.701 453 A CB 1.274 20.441 19.000 0.279 0.000 1.250 453 A HN 0.434 nan 8.150 nan 0.000 0.412 454 D N 2.136 122.597 120.400 0.101 0.000 2.443 454 D HA 0.131 4.771 4.640 0.000 0.000 0.221 454 D C 0.769 177.209 176.300 0.233 0.000 1.097 454 D CA -0.503 53.604 54.000 0.179 0.000 0.865 454 D CB 0.418 41.311 40.800 0.155 0.000 1.034 454 D HN 0.616 nan 8.370 nan 0.000 0.511 455 W N 4.580 125.924 121.300 0.073 0.000 2.321 455 W HA -0.202 4.459 4.660 0.000 0.000 0.306 455 W C 1.737 178.289 176.519 0.055 0.000 1.217 455 W CA 1.158 58.526 57.345 0.039 0.000 1.257 455 W CB -0.054 29.410 29.460 0.006 0.000 1.145 455 W HN 0.476 nan 8.180 nan 0.000 0.509 456 I N -1.016 119.851 120.570 0.496 0.000 2.454 456 I HA -0.286 3.884 4.170 0.000 0.000 0.254 456 I C 1.651 177.877 176.117 0.181 0.000 1.156 456 I CA 1.308 62.837 61.300 0.382 0.000 1.433 456 I CB -0.564 37.680 38.000 0.407 0.000 1.082 456 I HN 0.130 nan 8.210 nan 0.000 0.432 457 W N 0.018 121.312 121.300 -0.011 0.000 2.683 457 W HA 0.156 4.816 4.660 0.000 0.000 0.267 457 W C 2.169 178.590 176.519 -0.163 0.000 1.243 457 W CA 0.105 57.415 57.345 -0.058 0.000 1.380 457 W CB -0.268 29.187 29.460 -0.009 0.000 1.063 457 W HN -0.103 nan 8.180 nan 0.000 0.599 458 L N 0.184 121.382 121.223 -0.042 0.000 2.376 458 L HA -0.015 4.326 4.340 0.000 0.000 0.219 458 L C 0.398 177.051 176.870 -0.362 0.000 1.133 458 L CA 0.360 55.036 54.840 -0.274 0.000 0.816 458 L CB -0.764 41.037 42.059 -0.429 0.000 0.933 458 L HN -0.370 nan 8.230 nan 0.000 0.449 459 V N 0.727 120.371 119.914 -0.450 0.000 2.432 459 V HA 0.220 4.340 4.120 0.000 0.000 0.275 459 V C -1.923 173.994 176.094 -0.295 0.000 1.043 459 V CA -1.628 60.385 62.300 -0.479 0.000 0.925 459 V CB 0.780 32.096 31.823 -0.845 0.000 0.985 459 V HN 0.006 nan 8.190 nan 0.000 0.466 460 P HA 0.071 nan 4.420 nan 0.000 0.266 460 P C -1.844 175.336 177.300 -0.199 0.000 1.193 460 P CA -0.840 62.147 63.100 -0.189 0.000 0.770 460 P CB 0.098 31.725 31.700 -0.122 0.000 0.836 461 P HA -0.040 nan 4.420 nan 0.000 0.239 461 P C -0.243 176.949 177.300 -0.180 0.000 1.184 461 P CA 0.861 63.842 63.100 -0.198 0.000 0.760 461 P CB 0.107 31.678 31.700 -0.215 0.000 0.884 462 V N -6.680 113.107 119.914 -0.212 0.000 3.120 462 V HA 0.556 4.677 4.120 0.000 0.000 0.303 462 V C 0.410 176.445 176.094 -0.099 0.000 1.238 462 V CA -0.780 61.419 62.300 -0.168 0.000 1.008 462 V CB 1.311 33.004 31.823 -0.218 0.000 1.064 462 V HN -0.136 nan 8.190 nan 0.000 0.434 463 S N 0.724 116.408 115.700 -0.026 0.000 3.382 463 S HA -0.210 4.260 4.470 0.000 0.000 0.293 463 S C 1.634 176.209 174.600 -0.043 0.000 1.262 463 S CA 1.627 59.843 58.200 0.026 0.000 0.969 463 S CB -1.636 61.647 63.200 0.139 0.000 1.136 463 S HN 2.235 nan 8.310 nan 0.000 0.635 464 G N 2.480 111.233 108.800 -0.079 0.000 2.875 464 G HA2 -0.419 3.542 3.960 0.000 0.000 0.227 464 G HA3 -0.419 3.542 3.960 0.000 0.000 0.227 464 G C 1.467 176.169 174.900 -0.330 0.000 1.259 464 G CA 2.313 47.353 45.100 -0.101 0.000 0.780 464 G HN 1.447 nan 8.290 nan 0.000 0.685 465 S N 0.229 115.446 115.700 -0.806 0.000 2.469 465 S HA 0.018 4.488 4.470 0.000 0.000 0.238 465 S C 2.108 176.594 174.600 -0.189 0.000 0.998 465 S CA 1.054 58.648 58.200 -1.010 0.000 0.957 465 S CB -0.090 62.520 63.200 -0.984 0.000 0.764 465 S HN 0.260 nan 8.310 nan 0.000 0.514 466 I N 2.926 123.445 120.570 -0.086 0.000 2.830 466 I HA 0.013 4.183 4.170 0.000 0.000 0.263 466 I C 1.363 177.562 176.117 0.137 0.000 1.230 466 I CA 0.690 62.031 61.300 0.068 0.000 1.480 466 I CB -2.102 35.975 38.000 0.128 0.000 1.095 466 I HN 0.495 nan 8.210 nan 0.000 0.455 467 T N -1.107 113.501 114.554 0.089 0.000 2.929 467 T HA 0.347 4.697 4.350 0.000 0.000 0.284 467 T C -1.399 173.423 174.700 0.204 0.000 1.014 467 T CA -1.733 60.439 62.100 0.120 0.000 1.051 467 T CB 2.228 71.113 68.868 0.029 0.000 1.028 467 T HN -0.082 nan 8.240 nan 0.000 0.485 468 P HA -0.066 nan 4.420 nan 0.000 0.221 468 P C 1.825 179.304 177.300 0.299 0.000 1.150 468 P CA 0.950 64.227 63.100 0.295 0.000 0.800 468 P CB -0.287 31.537 31.700 0.207 0.000 0.787 469 V N -3.419 116.617 119.914 0.204 0.000 2.594 469 V HA -0.197 3.923 4.120 0.000 0.000 0.253 469 V C 2.333 178.503 176.094 0.126 0.000 1.069 469 V CA 1.303 63.697 62.300 0.157 0.000 1.082 469 V CB -2.221 29.613 31.823 0.018 0.000 0.680 469 V HN -0.115 nan 8.190 nan 0.000 0.469 470 F N 1.957 121.852 119.950 -0.092 0.000 2.171 470 F HA -0.128 4.399 4.527 0.000 0.000 0.300 470 F C 2.368 178.307 175.800 0.232 0.000 1.090 470 F CA 2.141 60.119 58.000 -0.036 0.000 1.293 470 F CB -0.374 38.484 39.000 -0.236 0.000 1.013 470 F HN 0.303 nan 8.300 nan 0.000 0.486 471 H N -0.768 118.685 119.070 0.637 0.000 2.539 471 H HA 0.118 4.674 4.556 0.000 0.000 0.267 471 H C 0.266 175.858 175.328 0.441 0.000 0.982 471 H CA 0.262 56.627 56.048 0.529 0.000 1.146 471 H CB -0.225 29.803 29.762 0.443 0.000 1.382 471 H HN 0.273 nan 8.280 nan 0.000 0.577 472 Q N 1.871 121.955 119.800 0.474 0.000 2.314 472 Q HA 0.173 4.513 4.340 0.000 0.000 0.259 472 Q C -0.629 175.595 176.000 0.373 0.000 0.951 472 Q CA -0.432 55.587 55.803 0.360 0.000 0.909 472 Q CB 0.892 29.807 28.738 0.295 0.000 1.236 472 Q HN 0.227 nan 8.270 nan 0.000 0.444 473 E N 4.122 124.478 120.200 0.260 0.000 2.366 473 E HA 0.438 4.788 4.350 0.000 0.000 0.266 473 E C -0.296 176.412 176.600 0.181 0.000 1.051 473 E CA -0.061 56.450 56.400 0.185 0.000 0.884 473 E CB 0.840 30.630 29.700 0.151 0.000 1.006 473 E HN 0.689 nan 8.360 nan 0.000 0.417 474 M N 0.437 120.149 119.600 0.186 0.000 2.578 474 M HA 0.470 4.950 4.480 0.000 0.000 0.276 474 M C -1.703 174.699 176.300 0.170 0.000 1.245 474 M CA -1.196 54.231 55.300 0.212 0.000 0.871 474 M CB 1.164 33.940 32.600 0.292 0.000 1.722 474 M HN 0.189 nan 8.290 nan 0.000 0.473 475 L N 2.350 123.694 121.223 0.202 0.000 2.307 475 L HA 0.558 4.898 4.340 0.000 0.000 0.284 475 L C -0.751 176.193 176.870 0.123 0.000 1.023 475 L CA 0.039 54.998 54.840 0.199 0.000 0.810 475 L CB 1.586 43.819 42.059 0.291 0.000 1.231 475 L HN 0.781 nan 8.230 nan 0.000 0.423 476 N N 3.044 121.749 118.700 0.008 0.000 2.446 476 N HA 0.541 5.281 4.740 0.000 0.000 0.265 476 N C -1.681 173.528 175.510 -0.501 0.000 0.975 476 N CA -0.274 52.625 53.050 -0.253 0.000 0.928 476 N CB 0.652 39.050 38.487 -0.148 0.000 1.160 476 N HN 0.381 nan 8.380 nan 0.000 0.495 477 Y N -0.046 119.990 120.300 -0.440 0.000 2.609 477 Y HA 0.575 5.126 4.550 0.000 0.000 0.336 477 Y C -1.119 174.659 175.900 -0.203 0.000 1.129 477 Y CA -1.369 56.446 58.100 -0.474 0.000 1.040 477 Y CB 0.602 38.928 38.460 -0.222 0.000 1.310 477 Y HN -0.010 nan 8.280 nan 0.000 0.460 478 V N 4.385 124.282 119.914 -0.027 0.000 2.334 478 V HA 0.311 4.431 4.120 0.000 0.000 0.267 478 V C 0.287 176.266 176.094 -0.191 0.000 1.040 478 V CA -0.357 61.758 62.300 -0.308 0.000 0.866 478 V CB 0.057 31.567 31.823 -0.522 0.000 1.019 478 V HN 0.731 nan 8.190 nan 0.000 0.468 479 L N 2.960 124.124 121.223 -0.098 0.000 2.891 479 L HA 0.694 5.035 4.340 0.000 0.000 0.216 479 L C 0.480 177.339 176.870 -0.017 0.000 1.209 479 L CA -0.343 54.509 54.840 0.020 0.000 0.957 479 L CB 1.145 43.260 42.059 0.094 0.000 1.876 479 L HN 0.620 nan 8.230 nan 0.000 0.532 480 S N -1.052 114.678 115.700 0.050 0.000 2.543 480 S HA 0.522 4.992 4.470 0.000 0.000 0.271 480 S C -2.693 171.952 174.600 0.075 0.000 1.148 480 S CA -1.084 57.154 58.200 0.064 0.000 0.914 480 S CB 1.859 65.087 63.200 0.047 0.000 1.096 480 S HN 0.150 nan 8.310 nan 0.000 0.471 481 P HA 0.449 nan 4.420 nan 0.000 0.271 481 P C -1.265 176.014 177.300 -0.035 0.000 1.238 481 P CA -0.060 63.002 63.100 -0.063 0.000 0.794 481 P CB 0.217 31.803 31.700 -0.191 0.000 0.959 482 F N -0.197 119.541 119.950 -0.354 0.000 2.703 482 F HA 0.393 4.920 4.527 0.000 0.000 0.308 482 F C -1.676 173.799 175.800 -0.542 0.000 1.126 482 F CA -0.702 57.011 58.000 -0.478 0.000 0.959 482 F CB 1.104 39.810 39.000 -0.490 0.000 1.297 482 F HN 0.148 nan 8.300 nan 0.000 0.441 483 Y N 4.444 124.275 120.300 -0.781 0.000 2.434 483 Y HA 0.439 4.989 4.550 0.000 0.000 0.341 483 Y C -0.794 174.785 175.900 -0.536 0.000 0.965 483 Y CA -0.764 57.055 58.100 -0.469 0.000 1.205 483 Y CB 0.258 38.441 38.460 -0.463 0.000 1.121 483 Y HN 0.375 nan 8.280 nan 0.000 0.507 484 Y N 1.143 121.485 120.300 0.069 0.000 2.392 484 Y HA 0.357 4.907 4.550 0.000 0.000 0.323 484 Y C -0.123 175.747 175.900 -0.049 0.000 1.291 484 Y CA -0.795 57.347 58.100 0.070 0.000 1.345 484 Y CB 0.744 39.301 38.460 0.162 0.000 1.320 484 Y HN 0.418 nan 8.280 nan 0.000 0.518 485 Y N 0.197 120.654 120.300 0.262 0.000 2.408 485 Y HA 0.423 4.973 4.550 0.000 0.000 0.324 485 Y C -0.045 175.907 175.900 0.087 0.000 1.302 485 Y CA -0.834 57.334 58.100 0.113 0.000 1.384 485 Y CB 0.793 39.288 38.460 0.058 0.000 1.367 485 Y HN 0.413 nan 8.280 nan 0.000 0.525 486 Q N 0.108 120.023 119.800 0.191 0.000 2.501 486 Q HA 0.507 4.847 4.340 0.000 0.000 0.288 486 Q C -1.385 174.577 176.000 -0.063 0.000 1.051 486 Q CA -1.028 54.800 55.803 0.041 0.000 0.788 486 Q CB 2.796 31.533 28.738 -0.002 0.000 1.469 486 Q HN 0.490 nan 8.270 nan 0.000 0.416 487 I N 1.804 122.295 120.570 -0.130 0.000 2.575 487 I HA 0.008 4.178 4.170 0.000 0.000 0.285 487 I C 0.434 176.315 176.117 -0.393 0.000 1.085 487 I CA -0.289 60.880 61.300 -0.219 0.000 1.403 487 I CB 0.490 38.373 38.000 -0.194 0.000 1.409 487 I HN 0.364 nan 8.210 nan 0.000 0.557 488 E N 7.952 127.817 120.200 -0.557 0.000 2.729 488 E HA -0.078 4.272 4.350 0.000 0.000 0.246 488 E C -1.461 174.422 176.600 -1.195 0.000 0.984 488 E CA -0.914 54.828 56.400 -1.096 0.000 0.951 488 E CB 0.056 28.887 29.700 -1.448 0.000 0.914 488 E HN 0.410 nan 8.360 nan 0.000 0.509 489 P HA -0.207 nan 4.420 nan 0.000 0.216 489 P C 1.185 177.812 177.300 -1.123 0.000 1.154 489 P CA 1.714 64.112 63.100 -1.170 0.000 0.865 489 P CB -0.249 30.417 31.700 -1.724 0.000 0.789 490 W N 0.568 121.364 121.300 -0.841 0.000 2.825 490 W HA 0.184 4.844 4.660 0.000 0.000 0.243 490 W C 1.678 178.204 176.519 0.012 0.000 1.293 490 W CA 0.328 57.510 57.345 -0.272 0.000 1.403 490 W CB -1.224 28.299 29.460 0.105 0.000 1.134 490 W HN -0.088 nan 8.180 nan 0.000 0.666 491 K N 0.423 120.606 120.400 -0.362 0.000 2.211 491 K HA 0.040 4.360 4.320 0.000 0.000 0.201 491 K C 0.868 177.427 176.600 -0.067 0.000 1.052 491 K CA 1.412 57.618 56.287 -0.136 0.000 0.973 491 K CB -0.051 32.291 32.500 -0.263 0.000 0.766 491 K HN 0.144 nan 8.250 nan 0.000 0.466 492 T N -1.158 113.310 114.554 -0.144 0.000 3.444 492 T HA 0.209 4.559 4.350 0.000 0.000 0.265 492 T C -1.012 173.680 174.700 -0.012 0.000 1.537 492 T CA -0.756 61.298 62.100 -0.077 0.000 1.530 492 T CB -0.116 68.678 68.868 -0.123 0.000 0.958 492 T HN 0.066 nan 8.240 nan 0.000 0.684 493 H N 1.042 120.073 119.070 -0.066 0.000 2.782 493 H HA 0.595 5.151 4.556 0.000 0.000 0.347 493 H C -1.307 173.998 175.328 -0.039 0.000 1.038 493 H CA -1.168 54.822 56.048 -0.097 0.000 1.255 493 H CB 0.917 30.587 29.762 -0.154 0.000 1.623 493 H HN 0.324 nan 8.280 nan 0.000 0.525 494 I N 5.471 125.729 120.570 -0.520 0.000 2.291 494 I HA 0.134 4.304 4.170 0.000 0.000 0.292 494 I C -0.102 175.664 176.117 -0.586 0.000 1.064 494 I CA -0.218 60.887 61.300 -0.325 0.000 1.269 494 I CB -0.358 37.526 38.000 -0.192 0.000 1.418 494 I HN 0.471 nan 8.210 nan 0.000 0.485 495 W N 0.000 121.143 121.300 -0.262 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.279 57.345 -0.110 0.000 1.226 495 W CB 0.000 29.506 29.460 0.076 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535