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_B 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 0.000 176.134 176.000 0.224 0.000 1.003 77 Q CA 0.000 55.787 55.803 -0.027 0.000 1.022 77 Q CB 0.000 28.572 28.738 -0.276 0.000 1.108 78 Y N -2.190 118.220 120.300 0.183 0.000 2.779 78 Y HA 0.741 5.291 4.550 -0.000 0.000 0.340 78 Y C -1.455 174.473 175.900 0.048 0.000 1.252 78 Y CA -1.364 56.834 58.100 0.163 0.000 1.072 78 Y CB 0.601 39.119 38.460 0.098 0.000 1.343 78 Y HN 0.120 nan 8.280 nan 0.000 0.450 79 V N 2.552 122.669 119.914 0.339 0.000 2.417 79 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 79 V C -0.029 176.168 176.094 0.172 0.000 1.024 79 V CA -0.824 61.554 62.300 0.130 0.000 0.861 79 V CB 1.310 33.042 31.823 -0.151 0.000 0.985 79 V HN 0.804 nan 8.190 nan 0.000 0.436 80 R N 4.706 125.289 120.500 0.138 0.000 2.438 80 R HA 0.462 4.802 4.340 -0.000 0.000 0.287 80 R C -1.056 175.274 176.300 0.050 0.000 1.077 80 R CA -0.226 55.919 56.100 0.074 0.000 1.034 80 R CB 0.526 30.859 30.300 0.056 0.000 0.993 80 R HN 0.539 nan 8.270 nan 0.000 0.459 81 I N 4.154 124.737 120.570 0.022 0.000 2.466 81 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 81 I C -0.492 175.580 176.117 -0.075 0.000 1.026 81 I CA -0.551 60.741 61.300 -0.013 0.000 1.078 81 I CB 1.656 39.626 38.000 -0.050 0.000 1.249 81 I HN 0.700 nan 8.210 nan 0.000 0.429 82 K N 5.015 125.369 120.400 -0.077 0.000 2.259 82 K HA 0.416 4.736 4.320 -0.000 0.000 0.249 82 K C -0.623 175.866 176.600 -0.185 0.000 0.942 82 K CA -0.605 55.543 56.287 -0.231 0.000 0.816 82 K CB 1.967 34.172 32.500 -0.491 0.000 1.155 82 K HN 0.659 nan 8.250 nan 0.000 0.428 83 N N 3.426 122.004 118.700 -0.204 0.000 2.558 83 N HA 0.150 4.890 4.740 -0.000 0.000 0.242 83 N C -0.250 175.223 175.510 -0.062 0.000 0.979 83 N CA -0.676 52.366 53.050 -0.013 0.000 0.931 83 N CB 0.508 39.000 38.487 0.008 0.000 1.122 83 N HN 0.570 nan 8.380 nan 0.000 0.508 84 W N 2.443 123.827 121.300 0.140 0.000 2.721 84 W HA 0.150 4.810 4.660 -0.000 0.000 0.245 84 W C 1.991 178.570 176.519 0.099 0.000 1.276 84 W CA 0.055 57.479 57.345 0.132 0.000 1.342 84 W CB 0.135 29.704 29.460 0.183 0.000 1.135 84 W HN 0.632 nan 8.180 nan 0.000 0.654 85 G N -0.399 108.546 108.800 0.242 0.000 2.411 85 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.213 85 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.213 85 G C 1.516 176.435 174.900 0.033 0.000 1.166 85 G CA 1.162 46.303 45.100 0.068 0.000 0.802 85 G HN 0.279 nan 8.290 nan 0.000 0.533 86 S N -1.092 114.622 115.700 0.024 0.000 2.523 86 S HA 0.386 4.856 4.470 -0.000 0.000 0.217 86 S C 1.691 176.265 174.600 -0.044 0.000 0.996 86 S CA 1.023 59.217 58.200 -0.011 0.000 0.921 86 S CB 0.322 63.512 63.200 -0.016 0.000 0.829 86 S HN 1.494 nan 8.310 nan 0.000 0.495 87 G N 1.237 109.990 108.800 -0.078 0.000 2.198 87 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 87 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 87 G C -0.269 174.534 174.900 -0.162 0.000 1.025 87 G CA 0.447 45.453 45.100 -0.155 0.000 0.769 87 G HN 0.692 nan 8.290 nan 0.000 0.507 88 E N -0.785 119.326 120.200 -0.148 0.000 2.242 88 E HA 0.629 4.979 4.350 -0.000 0.000 0.275 88 E C -0.236 176.260 176.600 -0.172 0.000 1.002 88 E CA -0.940 55.376 56.400 -0.139 0.000 0.841 88 E CB 0.667 30.300 29.700 -0.112 0.000 1.109 88 E HN 0.146 nan 8.360 nan 0.000 0.394 89 I N 3.365 123.839 120.570 -0.159 0.000 2.693 89 I HA 0.408 4.578 4.170 -0.000 0.000 0.303 89 I C -0.597 175.408 176.117 -0.185 0.000 1.025 89 I CA -0.495 60.718 61.300 -0.145 0.000 1.086 89 I CB 1.586 39.544 38.000 -0.071 0.000 1.268 89 I HN 0.444 nan 8.210 nan 0.000 0.440 90 L N 4.043 125.163 121.223 -0.172 0.000 2.409 90 L HA 0.506 4.846 4.340 -0.000 0.000 0.262 90 L C -1.096 175.772 176.870 -0.004 0.000 0.992 90 L CA -0.762 53.918 54.840 -0.266 0.000 0.817 90 L CB 2.235 43.914 42.059 -0.634 0.000 1.350 90 L HN 0.548 nan 8.230 nan 0.000 0.411 91 H N 0.922 119.867 119.070 -0.209 0.000 2.595 91 H HA 0.182 4.738 4.556 -0.000 0.000 0.313 91 H C -1.170 174.187 175.328 0.048 0.000 1.023 91 H CA -0.804 55.077 56.048 -0.278 0.000 1.218 91 H CB 2.099 31.330 29.762 -0.884 0.000 1.403 91 H HN 0.442 nan 8.280 nan 0.000 0.477 92 D N 2.906 123.472 120.400 0.276 0.000 2.316 92 D HA -0.006 4.634 4.640 -0.000 0.000 0.245 92 D C 1.014 177.412 176.300 0.164 0.000 1.171 92 D CA 0.032 54.189 54.000 0.261 0.000 0.856 92 D CB 1.414 42.349 40.800 0.227 0.000 1.090 92 D HN 0.717 nan 8.370 nan 0.000 0.476 93 T N 1.327 115.908 114.554 0.045 0.000 3.038 93 T HA -0.083 4.267 4.350 -0.000 0.000 0.244 93 T C 2.034 176.498 174.700 -0.392 0.000 1.016 93 T CA -0.136 61.851 62.100 -0.188 0.000 1.098 93 T CB -0.195 68.677 68.868 0.007 0.000 0.954 93 T HN 0.256 nan 8.240 nan 0.000 0.469 94 L N 3.303 124.422 121.223 -0.173 0.000 2.151 94 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 94 L C 2.570 179.234 176.870 -0.344 0.000 1.084 94 L CA 2.352 57.093 54.840 -0.165 0.000 0.764 94 L CB -1.001 41.021 42.059 -0.062 0.000 0.891 94 L HN 0.648 nan 8.230 nan 0.000 0.435 95 H N -2.352 116.268 119.070 -0.751 0.000 2.518 95 H HA -0.188 4.368 4.556 -0.000 0.000 0.292 95 H C 1.867 176.872 175.328 -0.539 0.000 1.068 95 H CA 1.876 57.165 56.048 -1.265 0.000 1.275 95 H CB -1.281 27.780 29.762 -1.167 0.000 1.375 95 H HN 0.628 nan 8.280 nan 0.000 0.563 96 H N 1.304 119.866 119.070 -0.848 0.000 2.422 96 H HA -0.025 4.531 4.556 -0.000 0.000 0.298 96 H C 1.546 176.696 175.328 -0.297 0.000 1.098 96 H CA 1.080 56.790 56.048 -0.563 0.000 1.315 96 H CB 0.252 29.767 29.762 -0.412 0.000 1.382 96 H HN 0.368 nan 8.280 nan 0.000 0.523 97 K N 0.923 121.250 120.400 -0.121 0.000 2.487 97 K HA 0.178 4.498 4.320 -0.000 0.000 0.192 97 K C 0.450 177.020 176.600 -0.051 0.000 1.027 97 K CA -0.111 56.144 56.287 -0.054 0.000 1.054 97 K CB 0.585 33.072 32.500 -0.020 0.000 0.824 97 K HN 0.155 nan 8.250 nan 0.000 0.510 98 A N 2.139 124.891 122.820 -0.112 0.000 2.546 98 A HA 0.025 4.345 4.320 -0.000 0.000 0.243 98 A C 1.248 178.808 177.584 -0.039 0.000 1.063 98 A CA 0.040 52.038 52.037 -0.066 0.000 0.757 98 A CB -0.030 18.899 19.000 -0.119 0.000 0.991 98 A HN 0.420 nan 8.150 nan 0.000 0.503 99 T N 1.464 115.995 114.554 -0.038 0.000 6.126 99 T HA 0.078 4.428 4.350 -0.000 0.000 0.373 99 T C 1.273 175.973 174.700 0.001 0.000 0.848 99 T CA 0.924 63.013 62.100 -0.017 0.000 1.066 99 T CB -0.622 68.220 68.868 -0.043 0.000 1.056 99 T HN 0.929 nan 8.240 nan 0.000 0.294 100 S N 0.270 115.978 115.700 0.013 0.000 2.633 100 S HA 0.166 4.636 4.470 -0.000 0.000 0.257 100 S C -0.176 174.455 174.600 0.051 0.000 1.265 100 S CA -0.705 57.517 58.200 0.036 0.000 0.980 100 S CB -0.702 62.525 63.200 0.045 0.000 1.017 100 S HN 0.607 nan 8.310 nan 0.000 0.577 101 D N 0.996 121.442 120.400 0.076 0.000 2.423 101 D HA 0.129 4.769 4.640 -0.000 0.000 0.238 101 D C 0.126 176.551 176.300 0.208 0.000 1.142 101 D CA 0.316 54.387 54.000 0.119 0.000 0.884 101 D CB 0.213 41.071 40.800 0.096 0.000 1.199 101 D HN 0.462 nan 8.370 nan 0.000 0.438 102 F N 0.002 119.975 119.950 0.039 0.000 2.123 102 F HA -0.021 4.506 4.527 -0.000 0.000 0.257 102 F C 1.799 177.625 175.800 0.044 0.000 0.967 102 F CA -0.431 57.595 58.000 0.043 0.000 1.152 102 F CB 0.745 39.781 39.000 0.061 0.000 1.869 102 F HN 0.183 nan 8.300 nan 0.000 0.562 103 T N -0.991 113.419 114.554 -0.239 0.000 3.086 103 T HA 0.160 4.510 4.350 -0.000 0.000 0.250 103 T C -0.099 174.496 174.700 -0.175 0.000 1.074 103 T CA -0.119 61.843 62.100 -0.229 0.000 0.988 103 T CB -1.012 67.660 68.868 -0.328 0.000 0.988 103 T HN 0.230 nan 8.240 nan 0.000 0.530 104 C N 3.687 122.913 119.300 -0.124 0.000 2.307 104 C HA 0.492 4.952 4.460 -0.000 0.000 0.340 104 C C 1.064 176.060 174.990 0.010 0.000 1.275 104 C CA -1.380 57.609 59.018 -0.048 0.000 1.811 104 C CB 0.218 27.953 27.740 -0.008 0.000 2.372 104 C HN 0.369 nan 8.230 nan 0.000 0.531 105 K N 1.808 122.208 120.400 0.001 0.000 2.244 105 K HA 0.070 4.390 4.320 -0.000 0.000 0.242 105 K C 1.466 178.080 176.600 0.023 0.000 1.082 105 K CA 0.217 56.512 56.287 0.013 0.000 0.841 105 K CB -0.115 32.388 32.500 0.005 0.000 1.129 105 K HN 0.773 nan 8.250 nan 0.000 0.516 106 S N -0.418 115.295 115.700 0.021 0.000 2.425 106 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 106 S C 1.302 175.912 174.600 0.017 0.000 1.024 106 S CA 0.891 59.104 58.200 0.022 0.000 0.951 106 S CB -0.101 63.110 63.200 0.019 0.000 0.796 106 S HN 0.616 nan 8.310 nan 0.000 0.498 107 K N 0.080 120.487 120.400 0.011 0.000 2.402 107 K HA 0.390 4.710 4.320 -0.000 0.000 0.203 107 K C 0.533 177.135 176.600 0.003 0.000 1.077 107 K CA -0.110 56.182 56.287 0.007 0.000 1.051 107 K CB 0.513 33.016 32.500 0.005 0.000 0.907 107 K HN 0.183 nan 8.250 nan 0.000 0.554 108 S N 0.199 115.900 115.700 0.002 0.000 2.689 108 S HA 0.560 5.030 4.470 -0.000 0.000 0.306 108 S C -1.450 173.147 174.600 -0.006 0.000 1.104 108 S CA -0.657 57.541 58.200 -0.004 0.000 0.973 108 S CB 1.929 65.126 63.200 -0.006 0.000 1.121 108 S HN 0.365 nan 8.310 nan 0.000 0.523 109 C N 4.319 123.611 119.300 -0.014 0.000 2.432 109 C HA 0.614 5.074 4.460 -0.000 0.000 0.334 109 C C -0.667 174.303 174.990 -0.032 0.000 1.155 109 C CA -0.746 58.259 59.018 -0.021 0.000 1.335 109 C CB -0.762 26.970 27.740 -0.013 0.000 1.964 109 C HN 0.833 nan 8.230 nan 0.000 0.444 110 L N 4.659 125.847 121.223 -0.059 0.000 3.030 110 L HA 0.496 4.836 4.340 -0.000 0.000 0.252 110 L C 1.150 177.966 176.870 -0.091 0.000 1.316 110 L CA -0.140 54.664 54.840 -0.060 0.000 0.975 110 L CB -0.058 41.966 42.059 -0.060 0.000 1.357 110 L HN 0.756 nan 8.230 nan 0.000 0.534 111 G N 0.388 109.151 108.800 -0.061 0.000 2.744 111 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.211 111 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.211 111 G C 1.220 176.147 174.900 0.045 0.000 1.143 111 G CA 0.827 45.903 45.100 -0.041 0.000 0.788 111 G HN 0.584 nan 8.290 nan 0.000 0.534 112 S N -0.117 115.613 115.700 0.050 0.000 2.557 112 S HA 0.352 4.822 4.470 -0.000 0.000 0.223 112 S C 0.612 175.271 174.600 0.099 0.000 0.969 112 S CA -0.568 57.693 58.200 0.101 0.000 0.927 112 S CB 0.109 63.356 63.200 0.078 0.000 0.806 112 S HN -0.027 nan 8.310 nan 0.000 0.489 113 I N 2.744 123.348 120.570 0.057 0.000 2.496 113 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 113 I C 1.652 177.832 176.117 0.104 0.000 1.080 113 I CA -0.129 61.203 61.300 0.054 0.000 1.404 113 I CB 0.470 38.474 38.000 0.006 0.000 1.403 113 I HN 0.282 nan 8.210 nan 0.000 0.539 114 M N 5.048 124.722 119.600 0.124 0.000 2.064 114 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 114 M C 0.279 176.631 176.300 0.087 0.000 1.073 114 M CA 1.785 57.191 55.300 0.177 0.000 1.124 114 M CB -0.519 32.173 32.600 0.153 0.000 1.326 114 M HN 0.529 nan 8.290 nan 0.000 0.410 115 N N 1.087 119.793 118.700 0.010 0.000 3.012 115 N HA 0.243 4.982 4.740 -0.000 0.000 0.270 115 N C -2.448 173.091 175.510 0.048 0.000 1.469 115 N CA -0.930 52.099 53.050 -0.035 0.000 0.928 115 N CB 0.567 38.952 38.487 -0.170 0.000 1.219 115 N HN 0.220 nan 8.380 nan 0.000 0.492 116 P HA 0.132 nan 4.420 nan 0.000 0.277 116 P C 0.094 177.460 177.300 0.109 0.000 1.240 116 P CA -0.427 62.709 63.100 0.060 0.000 0.798 116 P CB 1.804 33.503 31.700 -0.002 0.000 0.979 117 K N 0.630 121.073 120.400 0.073 0.000 2.218 117 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 117 K C 1.995 178.672 176.600 0.129 0.000 1.046 117 K CA 1.565 57.903 56.287 0.085 0.000 0.933 117 K CB -0.404 32.124 32.500 0.047 0.000 0.728 117 K HN 0.393 nan 8.250 nan 0.000 0.454 118 S N 0.886 116.676 115.700 0.149 0.000 2.419 118 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 118 S C 1.363 176.163 174.600 0.333 0.000 1.016 118 S CA 0.828 59.168 58.200 0.233 0.000 0.974 118 S CB 0.018 63.408 63.200 0.317 0.000 0.786 118 S HN 0.122 nan 8.310 nan 0.000 0.492 119 L N 1.003 122.439 121.223 0.356 0.000 2.640 119 L HA 0.308 4.648 4.340 -0.000 0.000 0.230 119 L C 0.441 177.641 176.870 0.550 0.000 1.123 119 L CA 0.751 55.865 54.840 0.457 0.000 0.900 119 L CB -0.773 41.531 42.059 0.408 0.000 1.146 119 L HN 0.121 nan 8.230 nan 0.000 0.484 120 T N 0.102 114.889 114.554 0.389 0.000 2.867 120 T HA 0.464 4.814 4.350 -0.000 0.000 0.282 120 T C -0.059 174.684 174.700 0.072 0.000 1.000 120 T CA -0.392 61.879 62.100 0.284 0.000 1.042 120 T CB 2.173 71.153 68.868 0.186 0.000 0.973 120 T HN -0.148 nan 8.240 nan 0.000 0.465 121 R N 1.811 122.316 120.500 0.009 0.000 2.352 121 R HA 0.550 4.890 4.340 -0.000 0.000 0.304 121 R C 0.391 176.654 176.300 -0.061 0.000 1.104 121 R CA -0.425 55.576 56.100 -0.165 0.000 0.991 121 R CB 0.235 30.337 30.300 -0.330 0.000 1.140 121 R HN 0.831 nan 8.270 nan 0.000 0.540 122 G N 3.231 111.994 108.800 -0.061 0.000 2.621 122 G HA2 0.330 4.290 3.960 -0.000 0.000 0.271 122 G HA3 0.330 4.290 3.960 -0.000 0.000 0.271 122 G C -1.987 172.882 174.900 -0.052 0.000 1.236 122 G CA -1.008 44.062 45.100 -0.050 0.000 0.958 122 G HN 0.458 nan 8.290 nan 0.000 0.512 123 P HA 0.242 nan 4.420 nan 0.000 0.272 123 P C -0.201 177.076 177.300 -0.038 0.000 1.248 123 P CA 0.015 63.088 63.100 -0.046 0.000 0.799 123 P CB 0.489 32.157 31.700 -0.053 0.000 0.997 124 R N -0.244 120.236 120.500 -0.032 0.000 2.774 124 R HA 0.233 4.573 4.340 -0.000 0.000 0.272 124 R C -0.027 176.257 176.300 -0.027 0.000 1.000 124 R CA -0.488 55.596 56.100 -0.027 0.000 0.906 124 R CB 1.520 31.807 30.300 -0.022 0.000 1.227 124 R HN 0.388 nan 8.270 nan 0.000 0.468 125 D N 0.151 120.538 120.400 -0.022 0.000 2.422 125 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 125 D C -0.385 175.905 176.300 -0.016 0.000 1.047 125 D CA 0.733 54.720 54.000 -0.023 0.000 0.885 125 D CB 0.682 41.471 40.800 -0.018 0.000 1.035 125 D HN 0.401 nan 8.370 nan 0.000 0.502 126 K N -1.042 119.353 120.400 -0.008 0.000 2.533 126 K HA 0.528 4.847 4.320 -0.000 0.000 0.284 126 K C -3.031 173.572 176.600 0.005 0.000 1.025 126 K CA -1.814 54.474 56.287 0.002 0.000 0.900 126 K CB 1.034 33.536 32.500 0.003 0.000 1.519 126 K HN -0.346 nan 8.250 nan 0.000 0.432 127 P HA -0.049 nan 4.420 nan 0.000 0.267 127 P C -0.611 176.697 177.300 0.012 0.000 1.200 127 P CA 0.052 63.160 63.100 0.015 0.000 0.772 127 P CB 0.517 32.230 31.700 0.022 0.000 0.855 128 T N 2.691 117.254 114.554 0.015 0.000 2.817 128 T HA 0.195 4.545 4.350 -0.000 0.000 0.295 128 T C -2.211 172.501 174.700 0.020 0.000 0.958 128 T CA -1.637 60.475 62.100 0.019 0.000 1.157 128 T CB -0.701 68.186 68.868 0.032 0.000 0.898 128 T HN 0.157 nan 8.240 nan 0.000 0.536 129 P HA -0.021 nan 4.420 nan 0.000 0.259 129 P C 1.116 178.414 177.300 -0.004 0.000 1.163 129 P CA 0.060 63.160 63.100 0.001 0.000 0.760 129 P CB 0.279 31.975 31.700 -0.006 0.000 0.762 130 L N 4.184 125.405 121.223 -0.005 0.000 2.129 130 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 130 L C 2.152 179.000 176.870 -0.036 0.000 1.087 130 L CA 1.534 56.367 54.840 -0.013 0.000 0.757 130 L CB -0.335 41.717 42.059 -0.012 0.000 0.896 130 L HN 0.433 nan 8.230 nan 0.000 0.434 131 E N 0.604 120.781 120.200 -0.039 0.000 2.160 131 E HA -0.306 4.044 4.350 -0.000 0.000 0.195 131 E C 1.594 178.137 176.600 -0.094 0.000 0.991 131 E CA 1.937 58.304 56.400 -0.056 0.000 0.810 131 E CB -0.409 29.265 29.700 -0.044 0.000 0.742 131 E HN 0.866 nan 8.360 nan 0.000 0.466 132 E N 0.582 120.723 120.200 -0.099 0.000 2.251 132 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 132 E C 2.305 178.754 176.600 -0.253 0.000 0.964 132 E CA 0.009 56.292 56.400 -0.194 0.000 0.868 132 E CB -0.389 29.250 29.700 -0.102 0.000 0.828 132 E HN 0.146 nan 8.360 nan 0.000 0.481 133 L N 1.246 122.432 121.223 -0.062 0.000 2.005 133 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 133 L C 2.241 179.111 176.870 -0.000 0.000 1.072 133 L CA 1.349 56.213 54.840 0.040 0.000 0.744 133 L CB -0.632 41.469 42.059 0.071 0.000 0.895 133 L HN 0.269 nan 8.230 nan 0.000 0.433 134 L N 0.408 121.597 121.223 -0.056 0.000 1.990 134 L HA -0.130 4.210 4.340 -0.000 0.000 0.213 134 L C -0.470 176.361 176.870 -0.064 0.000 1.072 134 L CA 2.330 57.123 54.840 -0.079 0.000 0.755 134 L CB -2.006 40.009 42.059 -0.074 0.000 0.889 134 L HN 0.216 nan 8.230 nan 0.000 0.432 135 P HA -0.131 nan 4.420 nan 0.000 0.218 135 P C 1.227 178.546 177.300 0.032 0.000 1.149 135 P CA 1.468 64.525 63.100 -0.072 0.000 0.817 135 P CB -0.173 31.436 31.700 -0.151 0.000 0.785 136 H N -0.451 118.644 119.070 0.042 0.000 2.326 136 H HA 0.071 4.627 4.556 -0.000 0.000 0.301 136 H C 2.031 177.439 175.328 0.132 0.000 1.081 136 H CA 1.417 57.517 56.048 0.086 0.000 1.334 136 H CB -1.108 28.705 29.762 0.085 0.000 1.385 136 H HN 0.020 nan 8.280 nan 0.000 0.504 137 A N 1.279 124.227 122.820 0.213 0.000 1.883 137 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 137 A C 2.671 180.341 177.584 0.144 0.000 1.186 137 A CA 1.659 53.770 52.037 0.123 0.000 0.624 137 A CB -0.929 17.876 19.000 -0.325 0.000 0.822 137 A HN 0.329 nan 8.150 nan 0.000 0.444 138 I N -0.755 119.856 120.570 0.069 0.000 2.208 138 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 138 I C 2.641 178.835 176.117 0.128 0.000 1.097 138 I CA 1.537 62.880 61.300 0.072 0.000 1.363 138 I CB -0.443 37.572 38.000 0.026 0.000 1.051 138 I HN 0.383 nan 8.210 nan 0.000 0.413 139 E N 1.068 121.366 120.200 0.164 0.000 2.058 139 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 139 E C 2.107 178.838 176.600 0.217 0.000 0.997 139 E CA 1.627 58.133 56.400 0.176 0.000 0.801 139 E CB -0.251 29.572 29.700 0.204 0.000 0.746 139 E HN 0.414 nan 8.360 nan 0.000 0.450 140 F N 1.556 121.594 119.950 0.147 0.000 2.075 140 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 140 F C 2.181 178.079 175.800 0.162 0.000 1.113 140 F CA 1.064 59.169 58.000 0.174 0.000 1.218 140 F CB -0.403 38.720 39.000 0.205 0.000 0.984 140 F HN -0.039 nan 8.300 nan 0.000 0.472 141 I N 0.989 121.565 120.570 0.010 0.000 2.194 141 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 141 I C 2.042 178.123 176.117 -0.060 0.000 1.093 141 I CA 1.377 62.658 61.300 -0.032 0.000 1.355 141 I CB -1.654 36.430 38.000 0.139 0.000 1.046 141 I HN 0.287 nan 8.210 nan 0.000 0.413 142 N N 0.619 119.316 118.700 -0.004 0.000 2.188 142 N HA -0.186 4.554 4.740 -0.000 0.000 0.184 142 N C 1.877 177.299 175.510 -0.147 0.000 1.018 142 N CA 0.970 54.007 53.050 -0.020 0.000 0.858 142 N CB -0.243 38.299 38.487 0.093 0.000 0.989 142 N HN 0.518 nan 8.380 nan 0.000 0.426 143 Q N -0.239 119.492 119.800 -0.115 0.000 2.050 143 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 143 Q C 1.884 177.692 176.000 -0.321 0.000 0.980 143 Q CA 1.279 57.030 55.803 -0.086 0.000 0.840 143 Q CB -0.163 28.639 28.738 0.107 0.000 0.898 143 Q HN 0.391 nan 8.270 nan 0.000 0.424 144 Y N -0.021 119.781 120.300 -0.831 0.000 2.070 144 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 144 Y C 1.691 176.833 175.900 -1.264 0.000 1.148 144 Y CA 1.926 59.202 58.100 -1.374 0.000 1.125 144 Y CB -0.698 36.946 38.460 -1.361 0.000 0.975 144 Y HN 0.153 nan 8.280 nan 0.000 0.492 145 Y N -0.127 119.426 120.300 -1.244 0.000 2.421 145 Y HA -0.021 4.529 4.550 -0.000 0.000 0.292 145 Y C 2.619 177.860 175.900 -1.097 0.000 1.136 145 Y CA 1.067 58.167 58.100 -1.667 0.000 1.255 145 Y CB -0.810 36.759 38.460 -1.485 0.000 0.991 145 Y HN 0.248 nan 8.280 nan 0.000 0.552 146 G N -0.850 107.609 108.800 -0.569 0.000 2.443 146 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 146 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 146 G C 1.795 176.577 174.900 -0.198 0.000 1.131 146 G CA 1.062 45.998 45.100 -0.274 0.000 0.775 146 G HN 0.477 nan 8.290 nan 0.000 0.547 147 S N 0.312 115.856 115.700 -0.259 0.000 2.406 147 S HA 0.126 4.596 4.470 -0.000 0.000 0.228 147 S C 0.867 175.531 174.600 0.106 0.000 1.020 147 S CA -0.224 57.967 58.200 -0.016 0.000 0.965 147 S CB -0.349 62.909 63.200 0.096 0.000 0.798 147 S HN 0.004 nan 8.310 nan 0.000 0.488 148 F N 3.011 122.797 119.950 -0.273 0.000 2.629 148 F HA 0.260 4.787 4.527 -0.000 0.000 0.369 148 F C 1.675 177.413 175.800 -0.104 0.000 1.125 148 F CA -1.238 56.637 58.000 -0.207 0.000 1.330 148 F CB 0.134 38.997 39.000 -0.228 0.000 1.071 148 F HN 0.098 nan 8.300 nan 0.000 0.595 149 K N 2.129 122.584 120.400 0.093 0.000 2.031 149 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 149 K C 0.220 176.855 176.600 0.058 0.000 1.049 149 K CA 1.097 57.414 56.287 0.051 0.000 0.939 149 K CB -0.011 32.496 32.500 0.013 0.000 0.717 149 K HN 0.825 nan 8.250 nan 0.000 0.438 150 E N 0.892 121.128 120.200 0.061 0.000 2.109 150 E HA 0.456 4.806 4.350 -0.000 0.000 0.278 150 E C -1.013 175.670 176.600 0.137 0.000 0.954 150 E CA -0.565 55.874 56.400 0.065 0.000 0.779 150 E CB 1.384 31.101 29.700 0.029 0.000 1.093 150 E HN 0.140 nan 8.360 nan 0.000 0.401 151 A N 4.389 127.282 122.820 0.121 0.000 2.445 151 A HA 0.127 4.447 4.320 -0.000 0.000 0.242 151 A C 0.041 177.729 177.584 0.173 0.000 1.075 151 A CA -0.265 51.858 52.037 0.144 0.000 0.777 151 A CB 0.303 19.349 19.000 0.077 0.000 1.013 151 A HN 0.691 nan 8.150 nan 0.000 0.493 152 K N 3.002 123.541 120.400 0.231 0.000 2.762 152 K HA 0.279 4.599 4.320 -0.000 0.000 0.180 152 K C 0.372 177.053 176.600 0.134 0.000 1.067 152 K CA -0.143 56.278 56.287 0.223 0.000 0.973 152 K CB 0.458 33.190 32.500 0.386 0.000 1.290 152 K HN 0.727 nan 8.250 nan 0.000 0.604 153 I N 1.062 121.673 120.570 0.069 0.000 2.118 153 I HA -0.393 3.777 4.170 -0.000 0.000 0.241 153 I C 2.598 178.673 176.117 -0.070 0.000 1.070 153 I CA 1.439 62.734 61.300 -0.008 0.000 1.327 153 I CB -0.289 37.691 38.000 -0.032 0.000 1.034 153 I HN 0.477 nan 8.210 nan 0.000 0.405 154 E N 2.184 122.364 120.200 -0.034 0.000 2.038 154 E HA -0.325 4.025 4.350 -0.000 0.000 0.195 154 E C 1.904 178.474 176.600 -0.050 0.000 1.000 154 E CA 2.016 58.389 56.400 -0.044 0.000 0.803 154 E CB -0.917 28.776 29.700 -0.011 0.000 0.750 154 E HN 0.713 nan 8.360 nan 0.000 0.448 155 E N 0.152 120.352 120.200 0.001 0.000 2.153 155 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 155 E C 2.252 178.731 176.600 -0.201 0.000 0.988 155 E CA 1.059 57.475 56.400 0.027 0.000 0.811 155 E CB -0.260 29.561 29.700 0.202 0.000 0.746 155 E HN 0.646 nan 8.360 nan 0.000 0.466 156 H N 0.156 118.870 119.070 -0.592 0.000 2.276 156 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 156 H C 2.303 177.271 175.328 -0.600 0.000 1.073 156 H CA 1.419 56.747 56.048 -1.199 0.000 1.311 156 H CB 0.017 29.279 29.762 -0.834 0.000 1.379 156 H HN 0.144 nan 8.280 nan 0.000 0.494 157 L N 0.579 121.610 121.223 -0.320 0.000 2.012 157 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 157 L C 3.101 179.881 176.870 -0.151 0.000 1.073 157 L CA 1.000 55.677 54.840 -0.271 0.000 0.748 157 L CB -0.698 41.230 42.059 -0.219 0.000 0.891 157 L HN 0.424 nan 8.230 nan 0.000 0.431 158 A N 0.322 123.075 122.820 -0.112 0.000 1.873 158 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 158 A C 2.366 179.933 177.584 -0.029 0.000 1.193 158 A CA 2.278 54.283 52.037 -0.052 0.000 0.629 158 A CB -0.601 18.387 19.000 -0.019 0.000 0.826 158 A HN 0.307 nan 8.150 nan 0.000 0.447 159 R N -0.124 120.357 120.500 -0.032 0.000 2.091 159 R HA -0.041 4.299 4.340 -0.000 0.000 0.238 159 R C 1.974 178.291 176.300 0.028 0.000 1.136 159 R CA 1.715 57.839 56.100 0.040 0.000 0.959 159 R CB -0.944 29.422 30.300 0.111 0.000 0.856 159 R HN 0.548 nan 8.270 nan 0.000 0.437 160 L N 0.123 121.339 121.223 -0.012 0.000 1.989 160 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 160 L C 2.551 179.401 176.870 -0.033 0.000 1.071 160 L CA 2.153 56.985 54.840 -0.014 0.000 0.749 160 L CB -0.543 41.485 42.059 -0.052 0.000 0.890 160 L HN 0.410 nan 8.230 nan 0.000 0.431 161 E N 0.019 120.194 120.200 -0.043 0.000 2.077 161 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 161 E C 2.117 178.705 176.600 -0.020 0.000 0.989 161 E CA 1.316 57.694 56.400 -0.037 0.000 0.800 161 E CB -0.036 29.640 29.700 -0.039 0.000 0.746 161 E HN 0.450 nan 8.360 nan 0.000 0.452 162 A N 0.476 123.295 122.820 -0.002 0.000 1.873 162 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 162 A C 2.450 180.045 177.584 0.017 0.000 1.186 162 A CA 1.535 53.583 52.037 0.019 0.000 0.616 162 A CB -0.752 18.274 19.000 0.044 0.000 0.823 162 A HN 0.228 nan 8.150 nan 0.000 0.442 163 V N -0.009 119.910 119.914 0.007 0.000 2.343 163 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 163 V C 2.727 178.746 176.094 -0.124 0.000 1.051 163 V CA 2.462 64.727 62.300 -0.058 0.000 1.036 163 V CB -1.402 30.353 31.823 -0.114 0.000 0.654 163 V HN 0.616 nan 8.190 nan 0.000 0.451 164 T N -0.362 114.139 114.554 -0.088 0.000 2.708 164 T HA -0.211 4.139 4.350 -0.000 0.000 0.266 164 T C 1.958 176.627 174.700 -0.051 0.000 1.037 164 T CA 1.520 63.572 62.100 -0.080 0.000 1.146 164 T CB -0.225 68.608 68.868 -0.058 0.000 0.865 164 T HN 0.445 nan 8.240 nan 0.000 0.435 165 K N 0.713 121.095 120.400 -0.029 0.000 2.057 165 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 165 K C 2.467 179.067 176.600 0.001 0.000 1.049 165 K CA 1.155 57.435 56.287 -0.012 0.000 0.931 165 K CB -0.148 32.350 32.500 -0.003 0.000 0.714 165 K HN 0.448 nan 8.250 nan 0.000 0.440 166 E N 1.014 121.221 120.200 0.012 0.000 2.051 166 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 166 E C 2.014 178.639 176.600 0.042 0.000 0.991 166 E CA 0.965 57.392 56.400 0.044 0.000 0.799 166 E CB 0.020 29.776 29.700 0.093 0.000 0.748 166 E HN 0.228 nan 8.360 nan 0.000 0.449 167 I N 0.863 121.436 120.570 0.004 0.000 2.179 167 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 167 I C 2.282 178.400 176.117 0.002 0.000 1.088 167 I CA 1.251 62.552 61.300 0.002 0.000 1.357 167 I CB -0.314 37.638 38.000 -0.081 0.000 1.051 167 I HN 0.140 nan 8.210 nan 0.000 0.409 168 E N 0.233 120.425 120.200 -0.013 0.000 2.160 168 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 168 E C 2.116 178.717 176.600 0.002 0.000 0.991 168 E CA 2.019 58.413 56.400 -0.009 0.000 0.810 168 E CB -0.057 29.633 29.700 -0.016 0.000 0.742 168 E HN 0.623 nan 8.360 nan 0.000 0.466 169 T N -3.286 111.274 114.554 0.009 0.000 3.040 169 T HA 0.058 4.408 4.350 -0.000 0.000 0.252 169 T C 1.836 176.549 174.700 0.021 0.000 1.064 169 T CA 0.781 62.889 62.100 0.014 0.000 1.110 169 T CB 0.257 69.133 68.868 0.015 0.000 0.921 169 T HN -0.073 nan 8.240 nan 0.000 0.480 170 T N 0.093 114.666 114.554 0.031 0.000 3.000 170 T HA 0.483 4.833 4.350 -0.000 0.000 0.248 170 T C 1.693 176.418 174.700 0.040 0.000 1.034 170 T CA 0.421 62.544 62.100 0.038 0.000 1.060 170 T CB 0.050 68.951 68.868 0.054 0.000 0.983 170 T HN 0.696 nan 8.240 nan 0.000 0.482 171 G N 1.058 109.883 108.800 0.042 0.000 2.175 171 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.244 171 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.244 171 G C 0.273 175.214 174.900 0.068 0.000 0.982 171 G CA 0.475 45.600 45.100 0.042 0.000 0.641 171 G HN 0.827 nan 8.290 nan 0.000 0.527 172 T N -1.530 113.086 114.554 0.104 0.000 2.658 172 T HA 0.658 5.008 4.350 -0.000 0.000 0.306 172 T C -1.723 173.153 174.700 0.293 0.000 1.544 172 T CA 0.578 62.789 62.100 0.186 0.000 0.991 172 T CB 1.139 70.064 68.868 0.096 0.000 1.774 172 T HN 1.767 nan 8.240 nan 0.000 0.479 173 Y N -0.596 119.709 120.300 0.008 0.000 2.713 173 Y HA 0.794 5.344 4.550 -0.000 0.000 0.335 173 Y C -1.676 174.238 175.900 0.023 0.000 1.222 173 Y CA -1.204 56.910 58.100 0.023 0.000 1.061 173 Y CB 0.667 39.153 38.460 0.043 0.000 1.314 173 Y HN 0.497 nan 8.280 nan 0.000 0.453 174 Q N 1.885 121.653 119.800 -0.053 0.000 2.309 174 Q HA 0.571 4.911 4.340 -0.000 0.000 0.264 174 Q C -0.964 174.972 176.000 -0.108 0.000 1.008 174 Q CA -0.860 54.856 55.803 -0.145 0.000 0.853 174 Q CB 3.034 31.756 28.738 -0.026 0.000 1.314 174 Q HN 0.840 nan 8.270 nan 0.000 0.448 175 L N 1.112 122.263 121.223 -0.119 0.000 2.379 175 L HA 0.400 4.740 4.340 -0.000 0.000 0.269 175 L C 1.038 177.915 176.870 0.013 0.000 1.084 175 L CA -0.586 54.247 54.840 -0.012 0.000 0.802 175 L CB 1.036 43.094 42.059 -0.002 0.000 1.175 175 L HN 0.696 nan 8.230 nan 0.000 0.448 176 T N -1.360 113.202 114.554 0.013 0.000 2.849 176 T HA 0.164 4.514 4.350 -0.000 0.000 0.284 176 T C 0.866 175.555 174.700 -0.019 0.000 1.004 176 T CA -0.683 61.416 62.100 -0.002 0.000 1.021 176 T CB 1.137 69.998 68.868 -0.011 0.000 1.013 176 T HN 0.464 nan 8.240 nan 0.000 0.527 177 L N 0.626 121.842 121.223 -0.012 0.000 2.046 177 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 177 L C 1.951 178.816 176.870 -0.007 0.000 1.077 177 L CA 1.945 56.773 54.840 -0.019 0.000 0.747 177 L CB -1.018 41.031 42.059 -0.017 0.000 0.896 177 L HN 0.722 nan 8.230 nan 0.000 0.432 178 D N -0.437 119.967 120.400 0.006 0.000 2.178 178 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 178 D C 2.104 178.437 176.300 0.055 0.000 0.980 178 D CA 1.198 55.236 54.000 0.062 0.000 0.842 178 D CB 0.057 40.928 40.800 0.120 0.000 0.948 178 D HN 0.537 nan 8.370 nan 0.000 0.472 179 E N -0.218 119.889 120.200 -0.155 0.000 2.072 179 E HA -0.112 4.237 4.350 -0.000 0.000 0.190 179 E C 1.968 178.697 176.600 0.215 0.000 0.982 179 E CA 0.188 56.478 56.400 -0.184 0.000 0.803 179 E CB -0.006 29.570 29.700 -0.207 0.000 0.755 179 E HN 0.118 nan 8.360 nan 0.000 0.453 180 L N 1.298 122.561 121.223 0.067 0.000 2.017 180 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 180 L C 2.055 178.928 176.870 0.005 0.000 1.073 180 L CA 1.558 56.383 54.840 -0.023 0.000 0.745 180 L CB -0.284 41.707 42.059 -0.114 0.000 0.894 180 L HN 0.101 nan 8.230 nan 0.000 0.432 181 I N -1.284 119.312 120.570 0.043 0.000 2.208 181 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 181 I C 2.361 178.567 176.117 0.148 0.000 1.097 181 I CA 1.677 63.005 61.300 0.047 0.000 1.363 181 I CB -0.452 37.572 38.000 0.040 0.000 1.051 181 I HN 0.330 nan 8.210 nan 0.000 0.413 182 F N 1.777 121.806 119.950 0.132 0.000 2.134 182 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 182 F C 2.441 178.383 175.800 0.238 0.000 1.097 182 F CA 1.424 59.563 58.000 0.231 0.000 1.264 182 F CB -0.297 38.922 39.000 0.364 0.000 1.001 182 F HN -0.013 nan 8.300 nan 0.000 0.479 183 A N -0.036 122.947 122.820 0.273 0.000 1.930 183 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 183 A C 2.241 179.744 177.584 -0.135 0.000 1.175 183 A CA 2.260 54.331 52.037 0.057 0.000 0.627 183 A CB -1.629 17.348 19.000 -0.039 0.000 0.815 183 A HN 0.544 nan 8.150 nan 0.000 0.443 184 T N -1.829 112.672 114.554 -0.088 0.000 2.867 184 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 184 T C 1.742 176.484 174.700 0.069 0.000 1.057 184 T CA 1.553 63.623 62.100 -0.048 0.000 1.136 184 T CB -0.252 68.598 68.868 -0.030 0.000 0.874 184 T HN 0.545 nan 8.240 nan 0.000 0.466 185 K N 0.053 120.502 120.400 0.080 0.000 2.137 185 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 185 K C 2.397 179.109 176.600 0.188 0.000 1.052 185 K CA 0.672 57.110 56.287 0.252 0.000 0.961 185 K CB -0.141 32.492 32.500 0.223 0.000 0.741 185 K HN 0.223 nan 8.250 nan 0.000 0.452 186 M N 0.602 120.131 119.600 -0.118 0.000 2.200 186 M HA -0.030 4.450 4.480 -0.000 0.000 0.265 186 M C 2.348 178.517 176.300 -0.218 0.000 1.066 186 M CA 1.192 56.325 55.300 -0.279 0.000 1.127 186 M CB -0.817 31.508 32.600 -0.459 0.000 1.379 186 M HN 0.129 nan 8.290 nan 0.000 0.420 187 A N -1.046 121.619 122.820 -0.259 0.000 2.015 187 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 187 A C 1.965 179.419 177.584 -0.216 0.000 1.163 187 A CA 1.154 52.903 52.037 -0.479 0.000 0.646 187 A CB -0.935 17.383 19.000 -1.136 0.000 0.806 187 A HN 0.673 nan 8.150 nan 0.000 0.448 188 W N 0.832 122.056 121.300 -0.126 0.000 2.441 188 W HA -0.019 4.641 4.660 -0.000 0.000 0.302 188 W C 2.213 178.657 176.519 -0.125 0.000 1.191 188 W CA 1.188 58.506 57.345 -0.045 0.000 1.327 188 W CB -0.632 28.814 29.460 -0.025 0.000 1.128 188 W HN 0.332 nan 8.180 nan 0.000 0.522 189 R N 0.458 120.895 120.500 -0.107 0.000 2.127 189 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 189 R C 1.068 177.207 176.300 -0.268 0.000 1.134 189 R CA 1.695 57.544 56.100 -0.418 0.000 0.975 189 R CB -0.461 29.348 30.300 -0.819 0.000 0.865 189 R HN 0.052 nan 8.270 nan 0.000 0.447 190 N N 0.054 118.636 118.700 -0.197 0.000 2.314 190 N HA 0.066 4.806 4.740 -0.000 0.000 0.200 190 N C -0.830 174.583 175.510 -0.162 0.000 1.135 190 N CA 0.359 53.323 53.050 -0.143 0.000 0.835 190 N CB 1.170 39.621 38.487 -0.061 0.000 0.989 190 N HN 0.138 nan 8.380 nan 0.000 0.478 191 A N 2.202 124.921 122.820 -0.169 0.000 2.527 191 A HA 0.276 4.596 4.320 -0.000 0.000 0.313 191 A C -1.048 176.459 177.584 -0.128 0.000 1.410 191 A CA -1.157 50.735 52.037 -0.241 0.000 1.060 191 A CB 0.543 19.468 19.000 -0.124 0.000 1.137 191 A HN -0.015 nan 8.150 nan 0.000 0.542 192 P HA -0.173 nan 4.420 nan 0.000 0.219 192 P C 0.795 178.055 177.300 -0.066 0.000 1.146 192 P CA 1.099 64.155 63.100 -0.073 0.000 0.808 192 P CB 0.191 31.848 31.700 -0.072 0.000 0.779 193 R N -1.370 119.053 120.500 -0.129 0.000 2.334 193 R HA 0.156 4.496 4.340 -0.000 0.000 0.220 193 R C 0.531 176.853 176.300 0.036 0.000 0.917 193 R CA -0.189 55.867 56.100 -0.074 0.000 1.073 193 R CB -0.386 29.659 30.300 -0.425 0.000 1.056 193 R HN 0.153 nan 8.270 nan 0.000 0.506 194 C N 0.988 120.274 119.300 -0.024 0.000 2.255 194 C HA 0.280 4.739 4.460 -0.000 0.000 0.326 194 C C 1.709 176.648 174.990 -0.086 0.000 1.258 194 C CA -0.927 58.099 59.018 0.012 0.000 1.676 194 C CB -0.501 27.304 27.740 0.108 0.000 2.314 194 C HN 0.483 nan 8.230 nan 0.000 0.509 195 I N 4.764 125.258 120.570 -0.127 0.000 2.761 195 I HA 0.185 4.355 4.170 -0.000 0.000 0.261 195 I C 2.040 178.177 176.117 0.034 0.000 1.198 195 I CA 1.713 62.872 61.300 -0.234 0.000 1.482 195 I CB -0.004 37.901 38.000 -0.158 0.000 1.100 195 I HN 0.843 nan 8.210 nan 0.000 0.445 196 G N -0.232 108.606 108.800 0.063 0.000 3.314 196 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.238 196 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.238 196 G C 1.395 176.314 174.900 0.032 0.000 1.184 196 G CA -0.323 44.822 45.100 0.075 0.000 0.806 196 G HN 0.260 nan 8.290 nan 0.000 0.536 197 R N -0.220 120.242 120.500 -0.063 0.000 2.377 197 R HA 0.068 4.408 4.340 -0.000 0.000 0.207 197 R C 1.906 177.697 176.300 -0.848 0.000 1.075 197 R CA 0.213 55.987 56.100 -0.543 0.000 1.035 197 R CB -0.180 29.859 30.300 -0.435 0.000 0.857 197 R HN 0.463 nan 8.270 nan 0.000 0.475 198 I N 0.611 120.856 120.570 -0.542 0.000 3.001 198 I HA -0.190 3.980 4.170 -0.000 0.000 0.268 198 I C 1.231 177.222 176.117 -0.209 0.000 1.267 198 I CA 1.032 62.149 61.300 -0.306 0.000 1.472 198 I CB 0.199 38.177 38.000 -0.037 0.000 1.089 198 I HN 0.154 nan 8.210 nan 0.000 0.468 199 Q N 0.424 120.020 119.800 -0.341 0.000 2.319 199 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 199 Q C 1.528 177.015 176.000 -0.855 0.000 0.896 199 Q CA 0.110 55.710 55.803 -0.340 0.000 0.942 199 Q CB -0.090 28.627 28.738 -0.034 0.000 1.083 199 Q HN 0.762 nan 8.270 nan 0.000 0.510 200 W N 1.169 121.613 121.300 -1.427 0.000 2.313 200 W HA -0.218 4.442 4.660 -0.000 0.000 0.293 200 W C 1.027 177.195 176.519 -0.585 0.000 1.216 200 W CA 1.595 57.916 57.345 -1.707 0.000 1.223 200 W CB -1.326 27.432 29.460 -1.169 0.000 1.138 200 W HN 0.126 nan 8.180 nan 0.000 0.535 201 S N -0.017 114.853 115.700 -1.383 0.000 2.593 201 S HA 0.047 4.517 4.470 -0.000 0.000 0.217 201 S C 0.274 174.618 174.600 -0.427 0.000 0.966 201 S CA -0.077 57.482 58.200 -1.068 0.000 0.914 201 S CB -0.910 61.480 63.200 -1.349 0.000 0.776 201 S HN 0.360 nan 8.310 nan 0.000 0.523 202 N N 1.457 120.019 118.700 -0.228 0.000 2.936 202 N HA 0.501 5.240 4.740 -0.000 0.000 0.243 202 N C -1.643 173.953 175.510 0.144 0.000 1.149 202 N CA -0.355 52.680 53.050 -0.026 0.000 0.914 202 N CB 1.036 39.537 38.487 0.023 0.000 1.179 202 N HN 0.169 nan 8.380 nan 0.000 0.502 203 L N 1.755 123.027 121.223 0.082 0.000 2.438 203 L HA 0.349 4.689 4.340 -0.000 0.000 0.270 203 L C -0.910 175.900 176.870 -0.100 0.000 0.972 203 L CA -0.755 54.118 54.840 0.056 0.000 0.831 203 L CB 1.925 44.067 42.059 0.137 0.000 1.273 203 L HN 0.233 nan 8.230 nan 0.000 0.405 204 Q N 3.363 123.043 119.800 -0.199 0.000 2.294 204 Q HA 0.568 4.908 4.340 -0.000 0.000 0.257 204 Q C -1.638 173.953 176.000 -0.682 0.000 0.955 204 Q CA -0.194 55.316 55.803 -0.488 0.000 0.936 204 Q CB 1.295 29.610 28.738 -0.704 0.000 1.188 204 Q HN 0.525 nan 8.270 nan 0.000 0.420 205 V N 5.668 125.205 119.914 -0.629 0.000 2.398 205 V HA 0.459 4.579 4.120 -0.000 0.000 0.286 205 V C -0.745 174.966 176.094 -0.638 0.000 1.026 205 V CA -0.586 61.399 62.300 -0.525 0.000 0.868 205 V CB 0.654 32.309 31.823 -0.279 0.000 0.982 205 V HN 0.648 nan 8.190 nan 0.000 0.443 206 F N 2.444 122.208 119.950 -0.310 0.000 2.375 206 F HA 0.375 4.902 4.527 -0.000 0.000 0.361 206 F C 0.403 176.020 175.800 -0.305 0.000 1.117 206 F CA -1.324 56.497 58.000 -0.299 0.000 1.037 206 F CB 1.245 40.045 39.000 -0.333 0.000 1.192 206 F HN 0.451 nan 8.300 nan 0.000 0.452 207 D N 3.408 123.770 120.400 -0.064 0.000 2.435 207 D HA 0.300 4.940 4.640 -0.000 0.000 0.230 207 D C 0.397 176.570 176.300 -0.211 0.000 1.215 207 D CA 0.150 54.063 54.000 -0.145 0.000 0.947 207 D CB 0.774 41.519 40.800 -0.091 0.000 1.048 207 D HN 0.578 nan 8.370 nan 0.000 0.512 208 A N 4.363 126.921 122.820 -0.436 0.000 2.577 208 A HA 0.136 4.456 4.320 -0.000 0.000 0.280 208 A C 1.754 179.137 177.584 -0.335 0.000 1.331 208 A CA -0.366 51.279 52.037 -0.653 0.000 0.935 208 A CB -0.110 18.019 19.000 -1.452 0.000 1.082 208 A HN 0.485 nan 8.150 nan 0.000 0.525 209 R N 0.311 120.695 120.500 -0.194 0.000 2.285 209 R HA -0.148 4.192 4.340 -0.000 0.000 0.213 209 R C 1.211 177.458 176.300 -0.088 0.000 1.068 209 R CA 1.522 57.557 56.100 -0.108 0.000 1.004 209 R CB -0.121 30.154 30.300 -0.041 0.000 0.873 209 R HN 0.846 nan 8.270 nan 0.000 0.467 210 N N -0.658 118.013 118.700 -0.049 0.000 2.415 210 N HA -0.062 4.678 4.740 -0.000 0.000 0.176 210 N C 0.684 176.235 175.510 0.069 0.000 1.042 210 N CA -0.044 53.014 53.050 0.013 0.000 0.902 210 N CB -0.268 38.244 38.487 0.042 0.000 0.986 210 N HN -0.007 nan 8.380 nan 0.000 0.447 211 C N 0.771 120.131 119.300 0.101 0.000 2.652 211 C HA 0.171 4.631 4.460 -0.000 0.000 0.401 211 C C 1.662 176.839 174.990 0.312 0.000 1.292 211 C CA 0.917 60.094 59.018 0.266 0.000 1.785 211 C CB -0.230 27.763 27.740 0.421 0.000 2.659 211 C HN 0.727 nan 8.230 nan 0.000 0.634 212 S N 0.461 116.394 115.700 0.389 0.000 2.551 212 S HA 0.198 4.668 4.470 -0.000 0.000 0.276 212 S C 0.010 174.746 174.600 0.227 0.000 1.051 212 S CA 0.430 58.863 58.200 0.388 0.000 1.377 212 S CB -0.177 63.154 63.200 0.218 0.000 1.208 212 S HN 1.169 nan 8.310 nan 0.000 0.656 213 T N -1.442 113.221 114.554 0.182 0.000 2.901 213 T HA 0.855 5.205 4.350 -0.000 0.000 0.293 213 T C 1.217 175.935 174.700 0.029 0.000 1.084 213 T CA -0.167 61.975 62.100 0.070 0.000 1.008 213 T CB 1.417 70.339 68.868 0.089 0.000 1.170 213 T HN 0.340 nan 8.240 nan 0.000 0.509 214 A N 0.686 123.495 122.820 -0.018 0.000 1.902 214 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 214 A C 2.294 179.805 177.584 -0.121 0.000 1.181 214 A CA 2.183 54.177 52.037 -0.073 0.000 0.623 214 A CB -1.245 17.796 19.000 0.069 0.000 0.818 214 A HN 0.918 nan 8.150 nan 0.000 0.443 215 Q N 0.100 119.951 119.800 0.085 0.000 2.135 215 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 215 Q C 1.784 177.846 176.000 0.103 0.000 0.981 215 Q CA 2.321 58.214 55.803 0.150 0.000 0.856 215 Q CB -0.386 28.495 28.738 0.238 0.000 0.902 215 Q HN 0.745 nan 8.270 nan 0.000 0.425 216 E N -0.923 119.344 120.200 0.111 0.000 2.152 216 E HA -0.120 4.229 4.350 -0.000 0.000 0.192 216 E C 1.892 178.653 176.600 0.269 0.000 0.983 216 E CA 1.091 57.583 56.400 0.154 0.000 0.818 216 E CB -0.024 29.809 29.700 0.221 0.000 0.758 216 E HN 0.472 nan 8.360 nan 0.000 0.467 217 M N -0.310 119.413 119.600 0.205 0.000 2.077 217 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 217 M C 2.130 178.519 176.300 0.149 0.000 1.070 217 M CA 1.126 56.555 55.300 0.215 0.000 1.125 217 M CB -0.320 32.151 32.600 -0.215 0.000 1.339 217 M HN 0.145 nan 8.290 nan 0.000 0.409 218 F N 1.500 121.286 119.950 -0.274 0.000 2.154 218 F HA -0.292 4.235 4.527 -0.000 0.000 0.301 218 F C 2.252 177.982 175.800 -0.117 0.000 1.087 218 F CA 1.899 59.688 58.000 -0.353 0.000 1.274 218 F CB -0.478 38.020 39.000 -0.838 0.000 1.009 218 F HN 0.179 nan 8.300 nan 0.000 0.485 219 Q N -1.291 118.359 119.800 -0.250 0.000 2.119 219 Q HA -0.188 4.152 4.340 -0.000 0.000 0.201 219 Q C 2.044 177.881 176.000 -0.272 0.000 0.972 219 Q CA 1.841 57.445 55.803 -0.330 0.000 0.847 219 Q CB -0.307 28.303 28.738 -0.213 0.000 0.903 219 Q HN 0.598 nan 8.270 nan 0.000 0.433 220 H N -0.305 118.730 119.070 -0.057 0.000 2.357 220 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 220 H C 1.829 177.136 175.328 -0.034 0.000 1.082 220 H CA 1.336 57.365 56.048 -0.033 0.000 1.342 220 H CB 0.198 30.038 29.762 0.131 0.000 1.389 220 H HN 0.158 nan 8.280 nan 0.000 0.511 221 I N -0.521 120.145 120.570 0.161 0.000 2.315 221 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 221 I C 2.041 178.131 176.117 -0.045 0.000 1.117 221 I CA 0.578 61.937 61.300 0.097 0.000 1.404 221 I CB -0.137 37.915 38.000 0.086 0.000 1.071 221 I HN 0.414 nan 8.210 nan 0.000 0.419 222 C N 0.317 119.492 119.300 -0.209 0.000 2.446 222 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 222 C C 2.974 177.881 174.990 -0.140 0.000 1.275 222 C CA 0.846 59.719 59.018 -0.241 0.000 1.727 222 C CB -1.110 26.366 27.740 -0.440 0.000 2.010 222 C HN 0.479 nan 8.230 nan 0.000 0.486 223 R N 0.002 120.399 120.500 -0.171 0.000 2.096 223 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 223 R C 2.143 178.358 176.300 -0.141 0.000 1.127 223 R CA 1.888 57.867 56.100 -0.202 0.000 0.968 223 R CB -0.643 29.451 30.300 -0.343 0.000 0.861 223 R HN 0.776 nan 8.270 nan 0.000 0.440 224 H N 0.027 118.970 119.070 -0.212 0.000 2.270 224 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 224 H C 2.165 177.551 175.328 0.097 0.000 1.077 224 H CA 2.042 58.070 56.048 -0.032 0.000 1.294 224 H CB -0.043 29.735 29.762 0.026 0.000 1.371 224 H HN 0.169 nan 8.280 nan 0.000 0.491 225 I N 0.358 121.021 120.570 0.154 0.000 2.194 225 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 225 I C 2.503 178.682 176.117 0.104 0.000 1.093 225 I CA 0.902 62.242 61.300 0.067 0.000 1.355 225 I CB -0.210 37.777 38.000 -0.022 0.000 1.046 225 I HN 0.343 nan 8.210 nan 0.000 0.413 226 L N 0.126 121.398 121.223 0.081 0.000 2.056 226 L HA -0.248 4.092 4.340 -0.000 0.000 0.207 226 L C 2.489 179.426 176.870 0.111 0.000 1.078 226 L CA 1.830 56.708 54.840 0.064 0.000 0.749 226 L CB -0.898 41.173 42.059 0.021 0.000 0.901 226 L HN 0.258 nan 8.230 nan 0.000 0.433 227 Y N 0.054 120.402 120.300 0.080 0.000 2.163 227 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 227 Y C 2.347 178.353 175.900 0.177 0.000 1.136 227 Y CA 1.876 60.063 58.100 0.146 0.000 1.147 227 Y CB -0.539 38.081 38.460 0.267 0.000 0.987 227 Y HN 0.218 nan 8.280 nan 0.000 0.509 228 A N -0.504 122.531 122.820 0.358 0.000 1.902 228 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 228 A C 2.207 179.854 177.584 0.106 0.000 1.181 228 A CA 2.246 54.447 52.037 0.273 0.000 0.623 228 A CB -1.342 17.915 19.000 0.428 0.000 0.818 228 A HN 0.516 nan 8.150 nan 0.000 0.443 229 T N -0.171 114.438 114.554 0.091 0.000 2.746 229 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 229 T C 1.145 175.850 174.700 0.008 0.000 1.039 229 T CA 1.351 63.489 62.100 0.062 0.000 1.142 229 T CB -0.452 68.448 68.868 0.053 0.000 0.866 229 T HN 0.678 nan 8.240 nan 0.000 0.444 230 N N 1.843 120.520 118.700 -0.039 0.000 2.708 230 N HA -0.286 4.454 4.740 -0.000 0.000 0.251 230 N C 0.025 175.508 175.510 -0.045 0.000 1.017 230 N CA 0.981 53.983 53.050 -0.080 0.000 0.742 230 N CB -2.188 36.205 38.487 -0.157 0.000 0.943 230 N HN 0.659 nan 8.380 nan 0.000 0.539 231 N N -1.793 116.893 118.700 -0.022 0.000 2.754 231 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 231 N C 0.884 176.381 175.510 -0.021 0.000 1.093 231 N CA 1.132 54.171 53.050 -0.020 0.000 0.699 231 N CB -1.280 37.192 38.487 -0.025 0.000 1.016 231 N HN 1.126 nan 8.380 nan 0.000 0.552 232 G N 0.064 108.859 108.800 -0.008 0.000 2.284 232 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.230 232 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.230 232 G C 0.032 174.930 174.900 -0.005 0.000 1.021 232 G CA 0.337 45.434 45.100 -0.005 0.000 0.619 232 G HN 0.577 nan 8.290 nan 0.000 0.510 233 N N 2.109 120.791 118.700 -0.030 0.000 3.034 233 N HA 0.331 5.070 4.740 -0.000 0.000 0.265 233 N C 0.848 176.334 175.510 -0.041 0.000 1.166 233 N CA -0.600 52.415 53.050 -0.058 0.000 1.081 233 N CB -0.469 37.975 38.487 -0.071 0.000 1.378 233 N HN 0.357 nan 8.380 nan 0.000 0.520 234 I N 1.696 122.274 120.570 0.013 0.000 2.826 234 I HA -0.104 4.066 4.170 -0.000 0.000 0.295 234 I C 0.843 177.076 176.117 0.193 0.000 1.213 234 I CA 0.775 62.151 61.300 0.127 0.000 1.436 234 I CB -0.266 37.898 38.000 0.274 0.000 1.348 234 I HN 0.297 nan 8.210 nan 0.000 0.570 235 R N 3.923 124.535 120.500 0.186 0.000 2.534 235 R HA 0.396 4.736 4.340 -0.000 0.000 0.301 235 R C -0.417 176.066 176.300 0.305 0.000 0.961 235 R CA -0.652 55.584 56.100 0.228 0.000 0.871 235 R CB 1.952 32.238 30.300 -0.024 0.000 1.170 235 R HN 0.560 nan 8.270 nan 0.000 0.446 236 S N 1.464 117.331 115.700 0.278 0.000 2.531 236 S HA 0.531 5.001 4.470 -0.000 0.000 0.279 236 S C -0.338 174.317 174.600 0.091 0.000 1.305 236 S CA -0.319 57.935 58.200 0.090 0.000 1.058 236 S CB 1.340 64.493 63.200 -0.079 0.000 0.899 236 S HN 0.705 nan 8.310 nan 0.000 0.493 237 A N 2.754 125.601 122.820 0.045 0.000 2.602 237 A HA 0.863 5.183 4.320 -0.000 0.000 0.290 237 A C -1.328 176.177 177.584 -0.132 0.000 1.114 237 A CA -0.687 51.274 52.037 -0.126 0.000 0.683 237 A CB 1.207 20.135 19.000 -0.120 0.000 1.281 237 A HN 0.806 nan 8.150 nan 0.000 0.416 238 I N 0.003 120.390 120.570 -0.306 0.000 2.752 238 I HA 0.607 4.777 4.170 -0.000 0.000 0.295 238 I C -1.346 174.669 176.117 -0.168 0.000 1.219 238 I CA -0.153 61.094 61.300 -0.088 0.000 1.030 238 I CB 2.440 40.420 38.000 -0.034 0.000 1.259 238 I HN 0.582 nan 8.210 nan 0.000 0.423 239 T N 6.229 120.773 114.554 -0.016 0.000 2.809 239 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 239 T C -0.657 173.858 174.700 -0.308 0.000 1.015 239 T CA -0.320 61.687 62.100 -0.155 0.000 0.954 239 T CB 1.231 70.045 68.868 -0.089 0.000 0.950 239 T HN 0.270 nan 8.240 nan 0.000 0.450 240 V N 5.329 125.023 119.914 -0.366 0.000 2.364 240 V HA 0.452 4.572 4.120 -0.000 0.000 0.272 240 V C -0.246 175.614 176.094 -0.391 0.000 1.036 240 V CA -0.677 61.436 62.300 -0.313 0.000 0.880 240 V CB -0.216 31.402 31.823 -0.341 0.000 0.991 240 V HN 0.683 nan 8.190 nan 0.000 0.460 241 F N 5.078 125.010 119.950 -0.031 0.000 2.375 241 F HA 0.513 5.040 4.527 -0.000 0.000 0.317 241 F C -1.846 173.870 175.800 -0.139 0.000 1.124 241 F CA -2.559 55.364 58.000 -0.129 0.000 1.050 241 F CB 0.390 39.360 39.000 -0.050 0.000 1.314 241 F HN 0.299 nan 8.300 nan 0.000 0.511 242 P HA -0.059 nan 4.420 nan 0.000 0.260 242 P C -1.002 176.197 177.300 -0.168 0.000 1.172 242 P CA 0.142 63.039 63.100 -0.339 0.000 0.760 242 P CB 0.080 31.286 31.700 -0.823 0.000 0.773 243 Q N 3.487 123.156 119.800 -0.218 0.000 2.474 243 Q HA 0.086 4.426 4.340 -0.000 0.000 0.256 243 Q C 0.253 176.077 176.000 -0.292 0.000 1.048 243 Q CA -0.494 54.953 55.803 -0.594 0.000 0.922 243 Q CB 0.781 28.881 28.738 -1.063 0.000 1.288 243 Q HN 0.352 nan 8.270 nan 0.000 0.484 244 R N 0.791 121.138 120.500 -0.255 0.000 2.643 244 R HA 0.028 4.368 4.340 -0.000 0.000 0.270 244 R C -0.004 176.246 176.300 -0.084 0.000 1.061 244 R CA 0.738 56.786 56.100 -0.088 0.000 1.107 244 R CB 0.598 30.860 30.300 -0.064 0.000 0.999 244 R HN 0.976 nan 8.270 nan 0.000 0.460 245 S N 1.573 117.275 115.700 0.003 0.000 3.037 245 S HA -0.021 4.449 4.470 -0.000 0.000 0.173 245 S C 0.753 175.374 174.600 0.034 0.000 0.681 245 S CA 0.090 58.301 58.200 0.018 0.000 0.807 245 S CB -0.150 63.090 63.200 0.066 0.000 0.789 245 S HN 0.824 nan 8.310 nan 0.000 0.637 246 D N 0.732 121.177 120.400 0.075 0.000 2.340 246 D HA 0.249 4.889 4.640 -0.000 0.000 0.217 246 D C 1.346 177.658 176.300 0.019 0.000 1.081 246 D CA 0.727 54.758 54.000 0.053 0.000 0.842 246 D CB -0.160 40.690 40.800 0.083 0.000 0.934 246 D HN 0.905 nan 8.370 nan 0.000 0.511 247 G N 1.337 110.148 108.800 0.019 0.000 2.184 247 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.264 247 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.264 247 G C 0.990 175.865 174.900 -0.041 0.000 0.975 247 G CA 0.477 45.573 45.100 -0.006 0.000 0.642 247 G HN 0.448 nan 8.290 nan 0.000 0.536 248 K N -0.233 120.111 120.400 -0.094 0.000 2.358 248 K HA 0.160 4.480 4.320 -0.000 0.000 0.200 248 K C 0.288 176.591 176.600 -0.494 0.000 1.030 248 K CA -0.064 56.060 56.287 -0.272 0.000 1.097 248 K CB 0.395 32.693 32.500 -0.337 0.000 0.862 248 K HN 0.533 nan 8.250 nan 0.000 0.534 249 H N 1.055 120.159 119.070 0.056 0.000 2.674 249 H HA 0.188 4.744 4.556 -0.000 0.000 0.235 249 H C -0.793 174.625 175.328 0.149 0.000 1.330 249 H CA -0.585 55.513 56.048 0.083 0.000 1.052 249 H CB 0.350 30.172 29.762 0.100 0.000 1.954 249 H HN 0.024 nan 8.280 nan 0.000 0.566 250 D N 0.621 121.121 120.400 0.166 0.000 2.414 250 D HA 0.038 4.678 4.640 -0.000 0.000 0.242 250 D C 0.152 176.586 176.300 0.224 0.000 1.129 250 D CA 0.386 54.510 54.000 0.206 0.000 0.885 250 D CB 0.852 41.721 40.800 0.115 0.000 1.198 250 D HN 0.050 nan 8.370 nan 0.000 0.437 251 F N 2.276 122.254 119.950 0.047 0.000 2.410 251 F HA 0.361 4.888 4.527 -0.000 0.000 0.349 251 F C 0.806 176.615 175.800 0.015 0.000 1.117 251 F CA -0.300 57.698 58.000 -0.003 0.000 1.104 251 F CB 0.826 39.814 39.000 -0.020 0.000 1.122 251 F HN -0.136 nan 8.300 nan 0.000 0.483 252 R N 3.950 124.513 120.500 0.106 0.000 2.548 252 R HA 0.433 4.773 4.340 -0.000 0.000 0.280 252 R C -1.773 174.647 176.300 0.200 0.000 1.061 252 R CA -1.034 55.162 56.100 0.160 0.000 0.915 252 R CB 2.054 32.469 30.300 0.193 0.000 1.210 252 R HN 0.482 nan 8.270 nan 0.000 0.442 253 L N 2.358 123.679 121.223 0.163 0.000 2.260 253 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 253 L C 0.625 177.673 176.870 0.297 0.000 1.057 253 L CA -0.089 54.852 54.840 0.168 0.000 0.811 253 L CB 0.571 42.669 42.059 0.064 0.000 1.184 253 L HN 0.556 nan 8.230 nan 0.000 0.429 254 W N 1.152 122.484 121.300 0.053 0.000 3.077 254 W HA 0.064 4.724 4.660 -0.000 0.000 0.245 254 W C 0.410 176.889 176.519 -0.067 0.000 1.316 254 W CA -0.576 56.876 57.345 0.178 0.000 1.537 254 W CB -1.099 28.621 29.460 0.433 0.000 1.131 254 W HN 0.478 nan 8.180 nan 0.000 0.695 255 N N -0.682 118.001 118.700 -0.029 0.000 2.515 255 N HA 0.091 4.831 4.740 -0.000 0.000 0.279 255 N C 1.343 176.665 175.510 -0.314 0.000 1.164 255 N CA 0.442 53.231 53.050 -0.436 0.000 0.982 255 N CB 1.192 39.573 38.487 -0.176 0.000 1.170 255 N HN -0.164 nan 8.380 nan 0.000 0.474 256 S N 0.648 116.130 115.700 -0.363 0.000 2.406 256 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 256 S C 0.264 174.766 174.600 -0.163 0.000 1.030 256 S CA 0.574 58.658 58.200 -0.192 0.000 0.958 256 S CB 0.060 63.182 63.200 -0.131 0.000 0.811 256 S HN 0.634 nan 8.310 nan 0.000 0.489 257 Q N -0.595 119.095 119.800 -0.183 0.000 2.389 257 Q HA 0.461 4.801 4.340 -0.000 0.000 0.277 257 Q C -0.248 175.622 176.000 -0.216 0.000 1.082 257 Q CA -0.839 54.853 55.803 -0.185 0.000 0.810 257 Q CB 1.726 30.388 28.738 -0.127 0.000 1.374 257 Q HN -0.008 nan 8.270 nan 0.000 0.422 258 L N 0.974 122.060 121.223 -0.227 0.000 1.978 258 L HA -0.075 4.265 4.340 -0.000 0.000 0.218 258 L C 0.652 177.373 176.870 -0.248 0.000 1.075 258 L CA 1.954 56.670 54.840 -0.207 0.000 0.767 258 L CB -0.244 41.676 42.059 -0.232 0.000 0.890 258 L HN 0.577 nan 8.230 nan 0.000 0.434 259 I N -0.968 119.369 120.570 -0.388 0.000 2.354 259 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 259 I C 0.150 175.678 176.117 -0.983 0.000 0.989 259 I CA -0.316 60.616 61.300 -0.613 0.000 1.188 259 I CB 1.479 39.056 38.000 -0.705 0.000 1.342 259 I HN 0.122 nan 8.210 nan 0.000 0.457 260 R N 4.269 124.314 120.500 -0.758 0.000 2.664 260 R HA 0.424 4.764 4.340 -0.000 0.000 0.266 260 R C -1.861 174.221 176.300 -0.363 0.000 1.046 260 R CA -0.712 55.010 56.100 -0.630 0.000 0.885 260 R CB 1.478 31.631 30.300 -0.245 0.000 1.254 260 R HN 0.306 nan 8.270 nan 0.000 0.465 261 Y N 0.835 121.152 120.300 0.028 0.000 2.301 261 Y HA 0.530 5.080 4.550 -0.000 0.000 0.325 261 Y C 0.759 176.670 175.900 0.018 0.000 1.203 261 Y CA -0.264 57.885 58.100 0.082 0.000 1.255 261 Y CB 1.425 40.022 38.460 0.228 0.000 1.232 261 Y HN 0.679 nan 8.280 nan 0.000 0.501 262 A N 1.430 124.324 122.820 0.124 0.000 2.371 262 A HA 0.640 4.960 4.320 -0.000 0.000 0.257 262 A C 0.462 177.836 177.584 -0.349 0.000 1.089 262 A CA 0.172 52.097 52.037 -0.187 0.000 0.794 262 A CB -0.129 18.706 19.000 -0.275 0.000 1.029 262 A HN 0.907 nan 8.150 nan 0.000 0.488 263 G N 0.253 108.783 108.800 -0.449 0.000 2.544 263 G HA2 0.578 4.538 3.960 -0.000 0.000 0.313 263 G HA3 0.578 4.538 3.960 -0.000 0.000 0.313 263 G C -1.329 173.311 174.900 -0.434 0.000 1.316 263 G CA -0.275 44.614 45.100 -0.352 0.000 0.944 263 G HN 0.521 nan 8.290 nan 0.000 0.489 264 Y N 0.572 120.902 120.300 0.050 0.000 2.364 264 Y HA 0.418 4.968 4.550 -0.000 0.000 0.340 264 Y C 0.427 176.382 175.900 0.092 0.000 0.975 264 Y CA -0.992 57.160 58.100 0.087 0.000 1.089 264 Y CB 2.371 40.929 38.460 0.164 0.000 1.192 264 Y HN 0.305 nan 8.280 nan 0.000 0.454 265 Q N 4.553 124.495 119.800 0.237 0.000 2.490 265 Q HA 0.267 4.607 4.340 -0.000 0.000 0.226 265 Q C -0.526 175.568 176.000 0.156 0.000 1.132 265 Q CA -0.439 55.454 55.803 0.149 0.000 0.928 265 Q CB 0.512 29.311 28.738 0.100 0.000 1.299 265 Q HN 0.675 nan 8.270 nan 0.000 0.528 266 M N 3.200 122.882 119.600 0.138 0.000 2.245 266 M HA 0.014 4.494 4.480 -0.000 0.000 0.312 266 M C -1.379 174.942 176.300 0.035 0.000 1.070 266 M CA -1.633 53.713 55.300 0.077 0.000 1.162 266 M CB -0.694 31.934 32.600 0.047 0.000 1.448 266 M HN 0.199 nan 8.290 nan 0.000 0.446 267 P HA -0.134 nan 4.420 nan 0.000 0.216 267 P C 0.157 177.454 177.300 -0.005 0.000 1.150 267 P CA 1.222 64.316 63.100 -0.011 0.000 0.837 267 P CB 0.012 31.687 31.700 -0.041 0.000 0.786 268 D N -0.999 119.396 120.400 -0.008 0.000 2.370 268 D HA 0.017 4.656 4.640 -0.000 0.000 0.256 268 D C 1.641 177.946 176.300 0.008 0.000 1.197 268 D CA 1.033 55.031 54.000 -0.004 0.000 0.922 268 D CB -0.920 39.875 40.800 -0.008 0.000 0.911 268 D HN 0.223 nan 8.370 nan 0.000 0.517 269 G N 0.735 109.544 108.800 0.014 0.000 2.562 269 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.241 269 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.241 269 G C 0.789 175.705 174.900 0.027 0.000 1.120 269 G CA 0.972 46.084 45.100 0.020 0.000 0.673 269 G HN 0.640 nan 8.290 nan 0.000 0.519 270 T N 0.499 115.068 114.554 0.025 0.000 2.649 270 T HA 0.411 4.761 4.350 -0.000 0.000 0.337 270 T C 0.411 175.137 174.700 0.044 0.000 1.070 270 T CA 0.654 62.771 62.100 0.029 0.000 1.052 270 T CB 0.173 69.056 68.868 0.025 0.000 0.994 270 T HN 0.676 nan 8.240 nan 0.000 0.544 271 I N 2.121 122.715 120.570 0.041 0.000 2.499 271 I HA 0.419 4.589 4.170 -0.000 0.000 0.288 271 I C 0.030 176.176 176.117 0.048 0.000 1.048 271 I CA -0.882 60.448 61.300 0.050 0.000 1.062 271 I CB 2.040 40.051 38.000 0.019 0.000 1.238 271 I HN 0.626 nan 8.210 nan 0.000 0.426 272 R N 4.238 124.806 120.500 0.113 0.000 2.532 272 R HA 0.759 5.098 4.340 -0.000 0.000 0.295 272 R C 0.328 176.687 176.300 0.097 0.000 0.968 272 R CA 0.536 56.712 56.100 0.128 0.000 0.916 272 R CB 1.639 32.073 30.300 0.224 0.000 1.124 272 R HN 0.877 nan 8.270 nan 0.000 0.463 273 G N 2.514 111.303 108.800 -0.018 0.000 2.499 273 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.232 273 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.232 273 G C -1.235 173.436 174.900 -0.382 0.000 1.251 273 G CA 0.007 45.043 45.100 -0.106 0.000 0.917 273 G HN 0.666 nan 8.290 nan 0.000 0.580 274 D N 1.405 121.669 120.400 -0.227 0.000 2.347 274 D HA 0.633 5.273 4.640 -0.000 0.000 0.235 274 D C 1.396 177.618 176.300 -0.129 0.000 1.149 274 D CA 0.749 54.599 54.000 -0.250 0.000 0.850 274 D CB 0.895 41.808 40.800 0.189 0.000 1.061 274 D HN 0.956 nan 8.370 nan 0.000 0.487 275 A N 3.843 126.571 122.820 -0.154 0.000 2.019 275 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 275 A C 2.018 179.598 177.584 -0.007 0.000 1.164 275 A CA 1.673 53.671 52.037 -0.065 0.000 0.644 275 A CB -0.328 18.638 19.000 -0.056 0.000 0.805 275 A HN 0.625 nan 8.150 nan 0.000 0.449 276 A N -0.417 122.418 122.820 0.024 0.000 2.067 276 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 276 A C 1.992 179.619 177.584 0.072 0.000 1.158 276 A CA 1.938 54.013 52.037 0.064 0.000 0.661 276 A CB -0.801 18.262 19.000 0.104 0.000 0.801 276 A HN 0.821 nan 8.150 nan 0.000 0.452 277 T N -3.318 111.272 114.554 0.060 0.000 3.215 277 T HA 0.427 4.777 4.350 -0.000 0.000 0.271 277 T C 1.251 175.964 174.700 0.022 0.000 1.012 277 T CA -0.117 62.025 62.100 0.069 0.000 0.899 277 T CB -0.294 68.627 68.868 0.088 0.000 1.089 277 T HN 0.222 nan 8.240 nan 0.000 0.552 278 L N 0.611 121.834 121.223 0.001 0.000 2.012 278 L HA -0.063 4.276 4.340 -0.000 0.000 0.210 278 L C 2.902 179.759 176.870 -0.023 0.000 1.073 278 L CA 2.036 56.862 54.840 -0.022 0.000 0.748 278 L CB -0.355 41.705 42.059 0.002 0.000 0.891 278 L HN 0.468 nan 8.230 nan 0.000 0.431 279 E N -0.140 120.061 120.200 0.002 0.000 2.051 279 E HA -0.281 4.069 4.350 -0.000 0.000 0.192 279 E C 2.165 178.671 176.600 -0.157 0.000 0.991 279 E CA 1.402 57.775 56.400 -0.045 0.000 0.799 279 E CB -0.161 29.553 29.700 0.024 0.000 0.748 279 E HN 0.342 nan 8.360 nan 0.000 0.449 280 F N 1.475 121.243 119.950 -0.302 0.000 2.146 280 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 280 F C 2.285 177.915 175.800 -0.282 0.000 1.096 280 F CA 1.888 59.643 58.000 -0.408 0.000 1.275 280 F CB -0.699 38.148 39.000 -0.253 0.000 1.008 280 F HN -0.024 nan 8.300 nan 0.000 0.480 281 T N -0.057 114.360 114.554 -0.229 0.000 2.737 281 T HA -0.290 4.060 4.350 -0.000 0.000 0.269 281 T C 1.755 176.320 174.700 -0.224 0.000 1.040 281 T CA 1.745 63.655 62.100 -0.316 0.000 1.142 281 T CB -0.345 68.374 68.868 -0.248 0.000 0.861 281 T HN 0.271 nan 8.240 nan 0.000 0.456 282 Q N 0.638 120.338 119.800 -0.167 0.000 2.079 282 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 282 Q C 2.100 178.004 176.000 -0.159 0.000 0.974 282 Q CA 1.140 56.882 55.803 -0.100 0.000 0.840 282 Q CB -0.738 27.957 28.738 -0.072 0.000 0.898 282 Q HN 0.437 nan 8.270 nan 0.000 0.430 283 L N -0.300 120.749 121.223 -0.289 0.000 2.042 283 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 283 L C 2.186 178.895 176.870 -0.268 0.000 1.076 283 L CA 1.801 56.472 54.840 -0.281 0.000 0.749 283 L CB -0.928 40.885 42.059 -0.410 0.000 0.893 283 L HN 0.387 nan 8.230 nan 0.000 0.432 284 C N -0.495 118.528 119.300 -0.462 0.000 2.413 284 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 284 C C 2.735 177.710 174.990 -0.025 0.000 1.248 284 C CA 1.007 59.797 59.018 -0.379 0.000 1.742 284 C CB -0.921 26.408 27.740 -0.686 0.000 2.017 284 C HN 0.576 nan 8.230 nan 0.000 0.481 285 I N 0.947 121.548 120.570 0.052 0.000 2.286 285 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 285 I C 1.964 178.094 176.117 0.022 0.000 1.115 285 I CA 1.504 62.873 61.300 0.116 0.000 1.392 285 I CB -0.572 37.489 38.000 0.103 0.000 1.065 285 I HN 0.365 nan 8.210 nan 0.000 0.418 286 D N 0.791 121.174 120.400 -0.028 0.000 2.264 286 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 286 D C 1.856 178.122 176.300 -0.056 0.000 0.966 286 D CA 1.068 55.037 54.000 -0.051 0.000 0.864 286 D CB -0.043 40.713 40.800 -0.075 0.000 0.933 286 D HN 0.356 nan 8.370 nan 0.000 0.499 287 L N -0.510 120.688 121.223 -0.041 0.000 2.653 287 L HA 0.241 4.581 4.340 -0.000 0.000 0.232 287 L C 1.427 178.286 176.870 -0.018 0.000 1.169 287 L CA 0.169 54.988 54.840 -0.036 0.000 0.951 287 L CB -0.026 42.008 42.059 -0.043 0.000 1.181 287 L HN 0.088 nan 8.230 nan 0.000 0.460 288 G N -0.852 107.947 108.800 -0.002 0.000 2.195 288 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 288 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 288 G C -0.039 174.879 174.900 0.030 0.000 0.984 288 G CA -0.202 44.894 45.100 -0.007 0.000 0.633 288 G HN 0.384 nan 8.290 nan 0.000 0.525 289 W N 2.972 124.202 121.300 -0.118 0.000 2.181 289 W HA 0.594 5.254 4.660 -0.000 0.000 0.335 289 W C 0.294 176.762 176.519 -0.085 0.000 1.310 289 W CA -0.337 56.942 57.345 -0.109 0.000 1.226 289 W CB 0.644 30.026 29.460 -0.129 0.000 1.155 289 W HN -0.072 nan 8.180 nan 0.000 0.565 290 K N 8.079 127.972 120.400 -0.844 0.000 2.267 290 K HA 0.189 4.509 4.320 -0.000 0.000 0.282 290 K C -2.305 173.495 176.600 -1.333 0.000 1.078 290 K CA -1.670 54.145 56.287 -0.787 0.000 0.903 290 K CB 0.755 32.950 32.500 -0.509 0.000 1.111 290 K HN 0.306 nan 8.250 nan 0.000 0.475 291 P HA 0.195 nan 4.420 nan 0.000 0.275 291 P C -0.140 176.727 177.300 -0.721 0.000 1.276 291 P CA -0.282 62.275 63.100 -0.905 0.000 0.782 291 P CB 0.684 31.967 31.700 -0.693 0.000 0.851 292 R N 2.293 122.496 120.500 -0.495 0.000 2.323 292 R HA 0.037 4.377 4.340 -0.000 0.000 0.198 292 R C 0.299 176.481 176.300 -0.196 0.000 0.988 292 R CA 0.064 56.032 56.100 -0.218 0.000 1.041 292 R CB -1.147 29.132 30.300 -0.036 0.000 0.926 292 R HN 0.420 nan 8.270 nan 0.000 0.476 293 Y N -1.600 118.275 120.300 -0.708 0.000 3.875 293 Y HA -0.299 4.251 4.550 -0.000 0.000 0.216 293 Y C 1.152 176.884 175.900 -0.279 0.000 1.148 293 Y CA 0.687 58.177 58.100 -1.017 0.000 1.629 293 Y CB -1.921 36.167 38.460 -0.620 0.000 1.506 293 Y HN 0.259 nan 8.280 nan 0.000 0.629 294 G N -0.503 108.387 108.800 0.150 0.000 2.532 294 G HA2 0.424 4.384 3.960 -0.000 0.000 0.291 294 G HA3 0.424 4.384 3.960 -0.000 0.000 0.291 294 G C 0.709 175.751 174.900 0.236 0.000 1.349 294 G CA -0.331 44.885 45.100 0.193 0.000 1.038 294 G HN 0.298 nan 8.290 nan 0.000 0.518 295 R N -1.796 118.754 120.500 0.084 0.000 2.223 295 R HA 0.213 4.553 4.340 -0.000 0.000 0.198 295 R C -0.098 175.909 176.300 -0.487 0.000 0.984 295 R CA 0.356 56.368 56.100 -0.146 0.000 1.018 295 R CB 0.056 30.209 30.300 -0.244 0.000 0.945 295 R HN 0.335 nan 8.270 nan 0.000 0.479 296 F N 0.832 120.769 119.950 -0.022 0.000 2.566 296 F HA 0.275 4.802 4.527 -0.000 0.000 0.347 296 F C -1.072 174.708 175.800 -0.034 0.000 1.515 296 F CA -1.189 56.546 58.000 -0.442 0.000 1.103 296 F CB 0.862 39.443 39.000 -0.698 0.000 1.385 296 F HN -0.258 nan 8.300 nan 0.000 0.560 297 D N 1.787 122.394 120.400 0.345 0.000 2.339 297 D HA 0.191 4.831 4.640 -0.000 0.000 0.241 297 D C 0.311 176.900 176.300 0.481 0.000 1.183 297 D CA 0.101 54.361 54.000 0.432 0.000 0.859 297 D CB 2.138 43.237 40.800 0.498 0.000 1.067 297 D HN -0.044 nan 8.370 nan 0.000 0.484 298 V N 3.541 123.713 119.914 0.429 0.000 2.617 298 V HA -0.063 4.057 4.120 -0.000 0.000 0.304 298 V C 1.103 177.258 176.094 0.100 0.000 1.040 298 V CA 0.006 62.432 62.300 0.211 0.000 1.149 298 V CB 0.233 32.125 31.823 0.115 0.000 0.914 298 V HN 0.350 nan 8.190 nan 0.000 0.487 299 L N 7.729 128.903 121.223 -0.082 0.000 2.453 299 L HA 0.386 4.726 4.340 -0.000 0.000 0.261 299 L C -1.732 174.965 176.870 -0.288 0.000 1.179 299 L CA -1.492 53.157 54.840 -0.320 0.000 0.813 299 L CB 1.109 43.033 42.059 -0.224 0.000 1.110 299 L HN 0.496 nan 8.230 nan 0.000 0.466 300 P HA 0.136 nan 4.420 nan 0.000 0.276 300 P C -1.025 176.225 177.300 -0.083 0.000 1.252 300 P CA -0.664 62.268 63.100 -0.280 0.000 0.802 300 P CB 1.119 32.533 31.700 -0.476 0.000 1.035 301 L N 1.744 122.993 121.223 0.043 0.000 2.331 301 L HA 0.203 4.543 4.340 -0.000 0.000 0.278 301 L C 0.009 176.956 176.870 0.128 0.000 1.106 301 L CA -0.159 54.750 54.840 0.115 0.000 0.824 301 L CB 0.769 42.934 42.059 0.176 0.000 1.142 301 L HN 0.100 nan 8.230 nan 0.000 0.443 302 V N 6.265 126.273 119.914 0.157 0.000 2.349 302 V HA 0.418 4.538 4.120 -0.000 0.000 0.284 302 V C -0.103 175.982 176.094 -0.015 0.000 1.014 302 V CA -0.576 61.768 62.300 0.072 0.000 0.826 302 V CB 1.248 33.167 31.823 0.161 0.000 1.009 302 V HN 0.477 nan 8.190 nan 0.000 0.431 303 L N 4.441 125.618 121.223 -0.077 0.000 2.329 303 L HA 0.661 5.001 4.340 -0.000 0.000 0.279 303 L C -0.202 176.504 176.870 -0.273 0.000 1.014 303 L CA -0.456 54.288 54.840 -0.160 0.000 0.814 303 L CB 1.844 43.786 42.059 -0.195 0.000 1.257 303 L HN 0.585 nan 8.230 nan 0.000 0.424 304 Q N 2.602 122.240 119.800 -0.271 0.000 2.341 304 Q HA 0.706 5.046 4.340 -0.000 0.000 0.268 304 Q C -1.388 174.368 176.000 -0.407 0.000 1.013 304 Q CA -0.558 55.067 55.803 -0.295 0.000 0.798 304 Q CB 2.023 30.687 28.738 -0.124 0.000 1.253 304 Q HN 0.800 nan 8.270 nan 0.000 0.457 305 A N 3.709 126.212 122.820 -0.528 0.000 2.342 305 A HA 0.436 4.756 4.320 -0.000 0.000 0.323 305 A C -0.377 176.724 177.584 -0.805 0.000 1.125 305 A CA -0.341 51.052 52.037 -1.073 0.000 0.785 305 A CB 1.036 19.593 19.000 -0.738 0.000 1.221 305 A HN 0.998 nan 8.150 nan 0.000 0.463 306 D N 1.397 121.148 120.400 -1.082 0.000 2.740 306 D HA -0.098 4.542 4.640 -0.000 0.000 0.231 306 D C 1.301 177.622 176.300 0.035 0.000 1.194 306 D CA 2.489 56.414 54.000 -0.125 0.000 0.673 306 D CB -1.013 39.792 40.800 0.008 0.000 0.995 306 D HN 1.983 nan 8.370 nan 0.000 0.411 307 G N 0.045 108.845 108.800 -0.000 0.000 2.219 307 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.271 307 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.271 307 G C 0.511 175.423 174.900 0.021 0.000 0.991 307 G CA 1.144 46.256 45.100 0.019 0.000 0.685 307 G HN 0.635 nan 8.290 nan 0.000 0.531 308 Q N 0.411 120.188 119.800 -0.038 0.000 2.500 308 Q HA 0.449 4.789 4.340 -0.000 0.000 0.215 308 Q C 0.539 176.515 176.000 -0.040 0.000 1.062 308 Q CA -0.169 55.617 55.803 -0.028 0.000 0.996 308 Q CB 0.369 29.065 28.738 -0.070 0.000 1.239 308 Q HN 0.337 nan 8.270 nan 0.000 0.578 309 D N 1.391 121.768 120.400 -0.038 0.000 2.357 309 D HA 0.158 4.798 4.640 -0.000 0.000 0.242 309 D C -2.180 173.913 176.300 -0.346 0.000 1.153 309 D CA -1.025 52.876 54.000 -0.165 0.000 0.918 309 D CB 0.138 40.970 40.800 0.054 0.000 1.181 309 D HN 0.330 nan 8.370 nan 0.000 0.435 310 P HA 0.119 nan 4.420 nan 0.000 0.275 310 P C -0.733 176.372 177.300 -0.326 0.000 1.227 310 P CA -0.083 62.588 63.100 -0.715 0.000 0.781 310 P CB 0.978 31.776 31.700 -1.504 0.000 0.906 311 E N 1.242 121.334 120.200 -0.180 0.000 2.187 311 E HA 0.325 4.675 4.350 -0.000 0.000 0.268 311 E C -0.582 176.022 176.600 0.007 0.000 0.896 311 E CA -1.105 55.262 56.400 -0.055 0.000 0.766 311 E CB 1.972 31.747 29.700 0.124 0.000 1.142 311 E HN 0.208 nan 8.360 nan 0.000 0.408 312 V N 3.838 123.647 119.914 -0.176 0.000 2.583 312 V HA 0.289 4.409 4.120 -0.000 0.000 0.287 312 V C -0.488 175.386 176.094 -0.367 0.000 1.051 312 V CA -0.028 62.187 62.300 -0.142 0.000 1.010 312 V CB 0.031 31.773 31.823 -0.134 0.000 0.988 312 V HN 0.496 nan 8.190 nan 0.000 0.478 313 F N 1.620 121.426 119.950 -0.239 0.000 2.562 313 F HA 0.453 4.980 4.527 -0.000 0.000 0.319 313 F C 0.046 175.704 175.800 -0.237 0.000 1.154 313 F CA -0.887 56.858 58.000 -0.424 0.000 0.931 313 F CB 1.756 40.238 39.000 -0.862 0.000 1.198 313 F HN 0.411 nan 8.300 nan 0.000 0.444 314 E N 3.034 123.221 120.200 -0.022 0.000 2.344 314 E HA 0.344 4.694 4.350 -0.000 0.000 0.270 314 E C -0.518 176.216 176.600 0.224 0.000 1.021 314 E CA 0.055 56.525 56.400 0.116 0.000 0.887 314 E CB 0.583 30.359 29.700 0.126 0.000 0.997 314 E HN 0.433 nan 8.360 nan 0.000 0.429 315 I N 6.952 127.662 120.570 0.234 0.000 2.471 315 I HA 0.148 4.318 4.170 -0.000 0.000 0.286 315 I C -1.848 174.394 176.117 0.208 0.000 1.079 315 I CA -2.017 59.447 61.300 0.273 0.000 1.398 315 I CB 0.793 38.880 38.000 0.145 0.000 1.403 315 I HN 0.404 nan 8.210 nan 0.000 0.530 316 P HA 0.001 nan 4.420 nan 0.000 0.257 316 P C -1.979 175.380 177.300 0.099 0.000 1.189 316 P CA -0.652 62.536 63.100 0.147 0.000 0.780 316 P CB 0.089 31.859 31.700 0.116 0.000 0.772 317 P HA -0.238 nan 4.420 nan 0.000 0.218 317 P C 0.916 178.252 177.300 0.060 0.000 1.152 317 P CA 1.465 64.613 63.100 0.081 0.000 0.857 317 P CB -0.019 31.731 31.700 0.082 0.000 0.787 318 D N -1.334 119.097 120.400 0.052 0.000 2.310 318 D HA -0.062 4.578 4.640 -0.000 0.000 0.212 318 D C 1.800 178.118 176.300 0.030 0.000 0.965 318 D CA 0.845 54.867 54.000 0.037 0.000 0.879 318 D CB -0.148 40.671 40.800 0.032 0.000 0.921 318 D HN 0.264 nan 8.370 nan 0.000 0.510 319 L N 0.377 121.619 121.223 0.033 0.000 2.270 319 L HA 0.020 4.360 4.340 -0.000 0.000 0.210 319 L C 0.621 177.503 176.870 0.021 0.000 1.104 319 L CA 0.251 55.103 54.840 0.021 0.000 0.804 319 L CB 0.322 42.387 42.059 0.011 0.000 0.937 319 L HN -0.211 nan 8.230 nan 0.000 0.450 320 V N 2.210 122.141 119.914 0.028 0.000 2.372 320 V HA 0.118 4.238 4.120 -0.000 0.000 0.261 320 V C 0.003 176.121 176.094 0.040 0.000 1.055 320 V CA -0.442 61.873 62.300 0.025 0.000 0.930 320 V CB 1.061 32.896 31.823 0.021 0.000 1.031 320 V HN 0.041 nan 8.190 nan 0.000 0.479 321 L N 5.975 127.224 121.223 0.044 0.000 2.281 321 L HA 0.518 4.858 4.340 -0.000 0.000 0.285 321 L C 0.054 176.951 176.870 0.045 0.000 1.074 321 L CA 0.448 55.308 54.840 0.033 0.000 0.817 321 L CB 0.649 42.722 42.059 0.023 0.000 1.168 321 L HN 0.689 nan 8.230 nan 0.000 0.434 322 E N 3.640 123.851 120.200 0.017 0.000 2.256 322 E HA 0.527 4.877 4.350 -0.000 0.000 0.267 322 E C -1.335 175.214 176.600 -0.085 0.000 0.892 322 E CA -1.000 55.406 56.400 0.011 0.000 0.775 322 E CB 2.530 32.265 29.700 0.059 0.000 1.207 322 E HN 0.384 nan 8.360 nan 0.000 0.420 323 V N 2.414 122.241 119.914 -0.146 0.000 2.370 323 V HA 0.210 4.330 4.120 -0.000 0.000 0.283 323 V C 0.003 176.045 176.094 -0.087 0.000 1.023 323 V CA -0.723 61.433 62.300 -0.239 0.000 0.857 323 V CB 1.295 32.717 31.823 -0.669 0.000 0.985 323 V HN 0.790 nan 8.190 nan 0.000 0.443 324 T N 4.240 118.754 114.554 -0.066 0.000 2.794 324 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 324 T C -0.065 174.658 174.700 0.039 0.000 0.949 324 T CA -0.791 61.295 62.100 -0.023 0.000 1.101 324 T CB 0.674 69.529 68.868 -0.021 0.000 0.905 324 T HN 0.306 nan 8.240 nan 0.000 0.516 325 M N 3.861 123.519 119.600 0.098 0.000 2.200 325 M HA 0.336 4.816 4.480 -0.000 0.000 0.355 325 M C 0.411 176.872 176.300 0.269 0.000 1.283 325 M CA -0.071 55.355 55.300 0.211 0.000 1.124 325 M CB 0.003 32.786 32.600 0.304 0.000 1.625 325 M HN 0.963 nan 8.290 nan 0.000 0.463 326 E N 1.368 121.728 120.200 0.266 0.000 2.352 326 E HA 0.348 4.698 4.350 -0.000 0.000 0.280 326 E C -1.343 175.316 176.600 0.097 0.000 0.930 326 E CA -0.856 55.703 56.400 0.265 0.000 0.765 326 E CB 1.691 31.505 29.700 0.191 0.000 1.219 326 E HN 0.621 nan 8.360 nan 0.000 0.434 327 H N 3.772 122.736 119.070 -0.176 0.000 2.502 327 H HA 0.216 4.772 4.556 -0.000 0.000 0.327 327 H C -1.642 173.474 175.328 -0.354 0.000 1.099 327 H CA -2.167 53.630 56.048 -0.420 0.000 1.323 327 H CB 1.795 31.212 29.762 -0.574 0.000 1.450 327 H HN 0.470 nan 8.280 nan 0.000 0.502 328 P HA -0.084 nan 4.420 nan 0.000 0.230 328 P C 0.334 177.574 177.300 -0.100 0.000 1.158 328 P CA 0.982 63.743 63.100 -0.565 0.000 0.769 328 P CB 0.745 31.940 31.700 -0.843 0.000 0.807 329 K N -1.739 118.784 120.400 0.204 0.000 2.493 329 K HA 0.132 4.452 4.320 -0.000 0.000 0.201 329 K C 0.395 176.810 176.600 -0.307 0.000 1.355 329 K CA 0.333 56.555 56.287 -0.109 0.000 0.953 329 K CB -0.140 32.225 32.500 -0.225 0.000 1.316 329 K HN 0.168 nan 8.250 nan 0.000 0.522 330 Y N 2.980 123.064 120.300 -0.361 0.000 2.535 330 Y HA 0.204 4.754 4.550 -0.000 0.000 0.349 330 Y C 1.486 177.089 175.900 -0.495 0.000 0.992 330 Y CA -0.239 57.507 58.100 -0.589 0.000 1.248 330 Y CB 0.742 38.458 38.460 -1.238 0.000 1.124 330 Y HN 0.058 nan 8.280 nan 0.000 0.520 331 E N 3.490 123.627 120.200 -0.105 0.000 2.204 331 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 331 E C 1.276 177.910 176.600 0.057 0.000 0.990 331 E CA 1.184 57.590 56.400 0.009 0.000 0.821 331 E CB 0.002 29.749 29.700 0.079 0.000 0.750 331 E HN 0.903 nan 8.360 nan 0.000 0.477 332 W N -0.665 120.737 121.300 0.170 0.000 2.800 332 W HA -0.040 4.620 4.660 -0.000 0.000 0.249 332 W C 1.302 177.891 176.519 0.116 0.000 1.294 332 W CA -0.236 57.181 57.345 0.119 0.000 1.402 332 W CB -0.945 28.572 29.460 0.094 0.000 1.126 332 W HN -0.041 nan 8.180 nan 0.000 0.652 333 F N 2.665 122.310 119.950 -0.508 0.000 2.161 333 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 333 F C 2.653 178.401 175.800 -0.086 0.000 1.089 333 F CA 2.462 60.221 58.000 -0.403 0.000 1.282 333 F CB -0.443 38.282 39.000 -0.459 0.000 1.010 333 F HN -0.122 nan 8.300 nan 0.000 0.485 334 Q N -0.211 119.644 119.800 0.092 0.000 2.170 334 Q HA -0.226 4.114 4.340 -0.000 0.000 0.203 334 Q C 1.893 177.909 176.000 0.027 0.000 0.976 334 Q CA 1.777 57.623 55.803 0.072 0.000 0.858 334 Q CB -0.291 28.499 28.738 0.086 0.000 0.907 334 Q HN 0.526 nan 8.270 nan 0.000 0.433 335 E N 0.372 120.606 120.200 0.057 0.000 2.333 335 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 335 E C 1.681 178.293 176.600 0.019 0.000 1.007 335 E CA 0.477 56.916 56.400 0.065 0.000 0.845 335 E CB -0.027 29.752 29.700 0.132 0.000 0.766 335 E HN 0.393 nan 8.360 nan 0.000 0.507 336 L N -0.340 120.842 121.223 -0.068 0.000 2.201 336 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 336 L C 1.458 178.287 176.870 -0.069 0.000 1.105 336 L CA 0.674 55.435 54.840 -0.131 0.000 0.775 336 L CB -0.457 41.367 42.059 -0.392 0.000 0.913 336 L HN 0.277 nan 8.230 nan 0.000 0.440 337 G N 1.021 109.792 108.800 -0.048 0.000 2.256 337 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.272 337 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.272 337 G C -0.123 174.800 174.900 0.039 0.000 1.076 337 G CA -0.187 44.925 45.100 0.020 0.000 0.882 337 G HN 0.198 nan 8.290 nan 0.000 0.497 338 L N -0.291 120.885 121.223 -0.078 0.000 2.343 338 L HA 0.814 5.154 4.340 -0.000 0.000 0.275 338 L C 0.682 177.431 176.870 -0.201 0.000 1.056 338 L CA -0.698 54.051 54.840 -0.151 0.000 0.804 338 L CB 1.651 43.499 42.059 -0.351 0.000 1.203 338 L HN 0.496 nan 8.230 nan 0.000 0.440 339 K N 1.278 121.420 120.400 -0.430 0.000 2.578 339 K HA 0.519 4.839 4.320 -0.000 0.000 0.287 339 K C -2.020 174.567 176.600 -0.022 0.000 1.010 339 K CA -1.033 55.086 56.287 -0.280 0.000 0.889 339 K CB 2.561 34.775 32.500 -0.475 0.000 1.514 339 K HN 0.595 nan 8.250 nan 0.000 0.424 340 W N 1.900 123.151 121.300 -0.082 0.000 3.275 340 W HA 0.271 4.931 4.660 -0.000 0.000 0.306 340 W C -1.412 175.127 176.519 0.033 0.000 1.259 340 W CA -0.768 56.587 57.345 0.016 0.000 1.194 340 W CB 1.438 30.807 29.460 -0.152 0.000 1.375 340 W HN 0.691 nan 8.180 nan 0.000 0.564 341 Y N 1.444 121.601 120.300 -0.238 0.000 2.397 341 Y HA 0.481 5.031 4.550 -0.000 0.000 0.335 341 Y C 0.866 176.948 175.900 0.304 0.000 1.213 341 Y CA 0.333 58.399 58.100 -0.057 0.000 1.391 341 Y CB 0.168 38.477 38.460 -0.251 0.000 1.293 341 Y HN 0.350 nan 8.280 nan 0.000 0.557 342 A N 2.782 125.826 122.820 0.374 0.000 2.016 342 A HA 0.041 4.360 4.320 -0.000 0.000 0.217 342 A C 0.584 178.518 177.584 0.582 0.000 1.162 342 A CA 0.347 52.662 52.037 0.463 0.000 0.662 342 A CB -0.298 18.812 19.000 0.185 0.000 0.812 342 A HN 0.683 nan 8.150 nan 0.000 0.450 343 L N 1.983 123.481 121.223 0.459 0.000 2.255 343 L HA 0.409 4.749 4.340 -0.000 0.000 0.289 343 L C -2.551 174.451 176.870 0.220 0.000 1.046 343 L CA -2.187 52.821 54.840 0.280 0.000 0.816 343 L CB 1.475 43.618 42.059 0.139 0.000 1.197 343 L HN -0.018 nan 8.230 nan 0.000 0.427 344 P HA 0.371 nan 4.420 nan 0.000 0.295 344 P C -1.536 175.672 177.300 -0.154 0.000 1.354 344 P CA -0.390 62.564 63.100 -0.243 0.000 0.814 344 P CB 1.435 32.609 31.700 -0.876 0.000 0.935 345 A N 4.439 127.175 122.820 -0.140 0.000 2.410 345 A HA 0.424 4.744 4.320 -0.000 0.000 0.289 345 A C -0.270 177.130 177.584 -0.306 0.000 1.200 345 A CA -0.684 51.218 52.037 -0.225 0.000 0.751 345 A CB 1.004 19.850 19.000 -0.257 0.000 1.161 345 A HN 0.294 nan 8.150 nan 0.000 0.459 346 V N 2.217 121.851 119.914 -0.466 0.000 2.521 346 V HA 0.323 4.443 4.120 -0.000 0.000 0.286 346 V C 1.230 176.937 176.094 -0.645 0.000 1.034 346 V CA 1.154 63.113 62.300 -0.568 0.000 1.045 346 V CB 1.013 32.367 31.823 -0.783 0.000 0.974 346 V HN 1.104 nan 8.190 nan 0.000 0.480 347 A N 4.134 126.733 122.820 -0.368 0.000 2.469 347 A HA 0.168 4.488 4.320 -0.000 0.000 0.245 347 A C 1.164 178.657 177.584 -0.152 0.000 1.221 347 A CA 0.284 52.171 52.037 -0.251 0.000 0.946 347 A CB -0.151 18.746 19.000 -0.170 0.000 1.049 347 A HN 0.928 nan 8.150 nan 0.000 0.529 348 N N -1.266 117.346 118.700 -0.147 0.000 2.235 348 N HA 0.298 5.038 4.740 -0.000 0.000 0.231 348 N C 0.093 175.607 175.510 0.007 0.000 1.177 348 N CA -0.275 52.739 53.050 -0.061 0.000 0.874 348 N CB 0.209 38.652 38.487 -0.073 0.000 1.097 348 N HN 0.273 nan 8.380 nan 0.000 0.518 349 M N 1.202 120.803 119.600 0.002 0.000 2.368 349 M HA 0.367 4.847 4.480 -0.000 0.000 0.311 349 M C -0.662 175.759 176.300 0.202 0.000 1.168 349 M CA -0.801 54.574 55.300 0.124 0.000 1.044 349 M CB 2.258 34.942 32.600 0.139 0.000 1.506 349 M HN 0.112 nan 8.290 nan 0.000 0.475 350 L N 2.363 123.748 121.223 0.270 0.000 2.322 350 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 350 L C -1.474 175.622 176.870 0.378 0.000 1.014 350 L CA -0.986 54.034 54.840 0.300 0.000 0.815 350 L CB 1.459 43.658 42.059 0.233 0.000 1.247 350 L HN 0.589 nan 8.230 nan 0.000 0.421 351 L N 4.955 126.397 121.223 0.365 0.000 2.275 351 L HA 0.492 4.832 4.340 -0.000 0.000 0.288 351 L C -0.513 176.515 176.870 0.263 0.000 1.046 351 L CA 0.337 55.310 54.840 0.223 0.000 0.805 351 L CB 1.198 43.335 42.059 0.130 0.000 1.193 351 L HN 0.633 nan 8.230 nan 0.000 0.426 352 E N 4.662 124.962 120.200 0.166 0.000 2.199 352 E HA 0.548 4.897 4.350 -0.000 0.000 0.269 352 E C -1.937 174.677 176.600 0.023 0.000 0.899 352 E CA -0.513 55.986 56.400 0.165 0.000 0.772 352 E CB 2.068 31.936 29.700 0.280 0.000 1.155 352 E HN 0.528 nan 8.360 nan 0.000 0.408 353 V N 2.863 122.766 119.914 -0.019 0.000 2.697 353 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 353 V C 0.192 176.159 176.094 -0.211 0.000 1.115 353 V CA 0.495 62.651 62.300 -0.240 0.000 0.912 353 V CB 1.215 32.774 31.823 -0.440 0.000 1.024 353 V HN 0.876 nan 8.190 nan 0.000 0.431 354 G N 4.412 113.133 108.800 -0.131 0.000 2.390 354 G HA2 0.093 4.053 3.960 -0.000 0.000 0.299 354 G HA3 0.093 4.053 3.960 -0.000 0.000 0.299 354 G C 1.646 176.696 174.900 0.249 0.000 1.002 354 G CA 1.454 46.654 45.100 0.166 0.000 0.979 354 G HN 2.772 nan 8.290 nan 0.000 0.513 355 G N -1.862 107.009 108.800 0.119 0.000 2.284 355 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.247 355 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.247 355 G C 0.625 175.582 174.900 0.095 0.000 1.012 355 G CA 0.566 45.773 45.100 0.179 0.000 0.618 355 G HN 1.337 nan 8.290 nan 0.000 0.521 356 L N 0.785 122.034 121.223 0.044 0.000 2.436 356 L HA 0.620 4.960 4.340 -0.000 0.000 0.265 356 L C 0.422 177.215 176.870 -0.129 0.000 1.168 356 L CA -0.207 54.561 54.840 -0.120 0.000 0.815 356 L CB 0.852 42.751 42.059 -0.266 0.000 1.109 356 L HN 0.227 nan 8.230 nan 0.000 0.462 357 E N 1.780 121.824 120.200 -0.260 0.000 2.234 357 E HA 0.406 4.756 4.350 -0.000 0.000 0.266 357 E C -1.570 174.856 176.600 -0.290 0.000 0.877 357 E CA -0.449 55.874 56.400 -0.128 0.000 0.758 357 E CB 1.947 31.609 29.700 -0.064 0.000 1.170 357 E HN 0.254 nan 8.360 nan 0.000 0.415 358 F N 3.636 123.604 119.950 0.029 0.000 2.359 358 F HA 0.265 4.792 4.527 -0.000 0.000 0.370 358 F C -1.529 174.334 175.800 0.105 0.000 1.077 358 F CA -2.184 55.848 58.000 0.053 0.000 1.136 358 F CB 1.279 40.304 39.000 0.043 0.000 1.387 358 F HN 0.334 nan 8.300 nan 0.000 0.468 359 P HA -0.013 nan 4.420 nan 0.000 0.239 359 P C -0.046 177.383 177.300 0.214 0.000 1.184 359 P CA 0.599 63.809 63.100 0.184 0.000 0.760 359 P CB 0.403 32.176 31.700 0.120 0.000 0.884 360 A N 0.350 123.346 122.820 0.293 0.000 2.569 360 A HA 0.516 4.836 4.320 -0.000 0.000 0.282 360 A C -0.212 177.626 177.584 0.425 0.000 1.165 360 A CA -0.437 51.795 52.037 0.325 0.000 0.747 360 A CB 0.109 19.303 19.000 0.322 0.000 1.215 360 A HN 0.278 nan 8.150 nan 0.000 0.431 361 C N 0.282 119.765 119.300 0.306 0.000 3.430 361 C HA 0.545 5.005 4.460 -0.000 0.000 0.268 361 C C -3.133 171.946 174.990 0.148 0.000 1.101 361 C CA -1.853 57.308 59.018 0.239 0.000 1.286 361 C CB -0.346 27.525 27.740 0.217 0.000 1.795 361 C HN 0.486 nan 8.230 nan 0.000 0.569 362 P HA 0.352 nan 4.420 nan 0.000 0.265 362 P C -0.404 176.945 177.300 0.081 0.000 1.193 362 P CA 0.741 63.813 63.100 -0.046 0.000 0.765 362 P CB 0.141 31.857 31.700 0.026 0.000 0.823 363 F N 0.400 120.320 119.950 -0.051 0.000 2.626 363 F HA 0.734 5.261 4.527 -0.000 0.000 0.311 363 F C -0.790 174.913 175.800 -0.162 0.000 1.088 363 F CA -1.178 56.768 58.000 -0.091 0.000 0.949 363 F CB 1.629 40.416 39.000 -0.356 0.000 1.322 363 F HN 0.319 nan 8.300 nan 0.000 0.461 364 N N -0.238 118.562 118.700 0.166 0.000 2.708 364 N HA 0.718 5.458 4.740 -0.000 0.000 0.257 364 N C -1.324 174.125 175.510 -0.100 0.000 1.373 364 N CA -0.376 52.685 53.050 0.019 0.000 0.843 364 N CB 1.844 40.353 38.487 0.037 0.000 1.503 364 N HN 1.130 nan 8.380 nan 0.000 0.504 365 G N -0.911 107.797 108.800 -0.153 0.000 3.039 365 G HA2 0.656 4.615 3.960 -0.000 0.000 0.202 365 G HA3 0.656 4.615 3.960 -0.000 0.000 0.202 365 G C -1.906 172.970 174.900 -0.040 0.000 1.151 365 G CA -0.673 44.265 45.100 -0.269 0.000 0.836 365 G HN 0.703 nan 8.290 nan 0.000 0.598 366 W N -1.470 119.826 121.300 -0.007 0.000 2.820 366 W HA 0.829 5.489 4.660 -0.000 0.000 0.350 366 W C -1.307 175.204 176.519 -0.014 0.000 1.116 366 W CA -2.060 55.296 57.345 0.018 0.000 1.146 366 W CB 0.420 29.933 29.460 0.089 0.000 1.433 366 W HN 0.416 nan 8.180 nan 0.000 0.561 367 Y N 2.167 122.657 120.300 0.317 0.000 2.379 367 Y HA 0.245 4.795 4.550 -0.000 0.000 0.337 367 Y C 0.669 176.617 175.900 0.078 0.000 1.238 367 Y CA -0.495 57.668 58.100 0.104 0.000 1.405 367 Y CB 1.002 39.429 38.460 -0.055 0.000 1.310 367 Y HN 0.420 nan 8.280 nan 0.000 0.569 368 M N 2.012 121.755 119.600 0.238 0.000 2.227 368 M HA 0.366 4.846 4.480 -0.000 0.000 0.335 368 M C 1.093 177.376 176.300 -0.029 0.000 1.053 368 M CA -0.153 55.210 55.300 0.105 0.000 0.973 368 M CB 1.380 34.022 32.600 0.070 0.000 1.623 368 M HN 0.839 nan 8.290 nan 0.000 0.434 369 G N 1.646 110.389 108.800 -0.096 0.000 2.606 369 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.221 369 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.221 369 G C 1.132 175.876 174.900 -0.260 0.000 1.152 369 G CA 1.964 46.934 45.100 -0.216 0.000 0.765 369 G HN 0.876 nan 8.290 nan 0.000 0.595 370 T N -0.792 113.626 114.554 -0.227 0.000 2.929 370 T HA -0.034 4.316 4.350 -0.000 0.000 0.271 370 T C 1.920 176.449 174.700 -0.286 0.000 1.085 370 T CA 1.649 63.571 62.100 -0.296 0.000 1.125 370 T CB -0.275 68.365 68.868 -0.379 0.000 0.874 370 T HN 0.576 nan 8.240 nan 0.000 0.494 371 E N 1.034 121.086 120.200 -0.247 0.000 2.077 371 E HA -0.043 4.306 4.350 -0.000 0.000 0.193 371 E C 2.088 178.401 176.600 -0.478 0.000 0.989 371 E CA 1.417 57.680 56.400 -0.228 0.000 0.800 371 E CB -0.296 29.419 29.700 0.025 0.000 0.746 371 E HN 0.604 nan 8.360 nan 0.000 0.452 372 I N 0.509 120.636 120.570 -0.740 0.000 2.385 372 I HA -0.026 4.144 4.170 -0.000 0.000 0.244 372 I C 2.651 178.222 176.117 -0.910 0.000 1.089 372 I CA 0.812 61.376 61.300 -1.228 0.000 1.410 372 I CB -0.662 36.495 38.000 -1.405 0.000 1.117 372 I HN 0.076 nan 8.210 nan 0.000 0.429 373 G N 1.086 109.595 108.800 -0.485 0.000 2.491 373 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.218 373 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.218 373 G C 1.612 176.459 174.900 -0.089 0.000 1.180 373 G CA 1.543 46.553 45.100 -0.150 0.000 0.774 373 G HN 0.237 nan 8.290 nan 0.000 0.562 374 V N 0.211 120.016 119.914 -0.183 0.000 2.436 374 V HA 0.058 4.178 4.120 -0.000 0.000 0.240 374 V C 2.859 178.876 176.094 -0.128 0.000 1.040 374 V CA 1.172 63.391 62.300 -0.136 0.000 1.052 374 V CB -0.338 31.375 31.823 -0.184 0.000 0.707 374 V HN 0.136 nan 8.190 nan 0.000 0.469 375 R N 0.748 121.132 120.500 -0.192 0.000 2.051 375 R HA -0.040 4.300 4.340 -0.000 0.000 0.225 375 R C 1.987 178.204 176.300 -0.138 0.000 1.155 375 R CA 1.542 57.548 56.100 -0.157 0.000 0.945 375 R CB -1.154 29.041 30.300 -0.175 0.000 0.840 375 R HN 0.477 nan 8.270 nan 0.000 0.432 376 D N 0.344 120.557 120.400 -0.312 0.000 2.117 376 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 376 D C 1.889 178.174 176.300 -0.024 0.000 0.987 376 D CA 1.139 54.940 54.000 -0.333 0.000 0.829 376 D CB -0.153 39.972 40.800 -1.125 0.000 0.961 376 D HN 0.094 nan 8.370 nan 0.000 0.460 377 F N 0.354 120.228 119.950 -0.125 0.000 2.262 377 F HA 0.028 4.555 4.527 -0.000 0.000 0.292 377 F C 2.471 178.316 175.800 0.075 0.000 1.081 377 F CA -0.127 57.884 58.000 0.017 0.000 1.355 377 F CB -0.771 38.202 39.000 -0.045 0.000 1.069 377 F HN 0.017 nan 8.300 nan 0.000 0.506 378 C N -1.083 118.341 119.300 0.207 0.000 2.634 378 C HA 0.129 4.589 4.460 -0.000 0.000 0.268 378 C C 0.481 175.515 174.990 0.073 0.000 1.322 378 C CA -0.728 58.364 59.018 0.122 0.000 1.737 378 C CB -0.853 26.924 27.740 0.062 0.000 1.976 378 C HN 0.126 nan 8.230 nan 0.000 0.547 379 D N 1.390 121.824 120.400 0.055 0.000 2.525 379 D HA 0.031 4.671 4.640 -0.000 0.000 0.235 379 D C 1.296 177.625 176.300 0.048 0.000 1.137 379 D CA 0.646 54.663 54.000 0.029 0.000 0.868 379 D CB 0.830 41.640 40.800 0.017 0.000 1.180 379 D HN 0.175 nan 8.370 nan 0.000 0.465 380 T N 1.563 116.135 114.554 0.029 0.000 2.759 380 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 380 T C 1.574 176.291 174.700 0.029 0.000 1.042 380 T CA 1.104 63.224 62.100 0.033 0.000 1.140 380 T CB -0.025 68.857 68.868 0.023 0.000 0.864 380 T HN 0.530 nan 8.240 nan 0.000 0.455 381 Q N 0.452 120.265 119.800 0.023 0.000 2.415 381 Q HA 0.106 4.446 4.340 -0.000 0.000 0.206 381 Q C 0.978 176.986 176.000 0.014 0.000 0.946 381 Q CA 0.289 56.102 55.803 0.017 0.000 0.951 381 Q CB 0.227 28.976 28.738 0.019 0.000 1.026 381 Q HN 0.301 nan 8.270 nan 0.000 0.510 382 R N -0.320 120.198 120.500 0.030 0.000 2.624 382 R HA 0.249 4.589 4.340 -0.000 0.000 0.104 382 R C 1.384 177.667 176.300 -0.029 0.000 1.178 382 R CA -0.269 55.852 56.100 0.035 0.000 0.986 382 R CB -1.093 29.295 30.300 0.145 0.000 0.855 382 R HN 0.085 nan 8.270 nan 0.000 0.386 383 Y N 1.441 121.847 120.300 0.177 0.000 2.519 383 Y HA 0.012 4.562 4.550 -0.000 0.000 0.287 383 Y C 0.573 176.550 175.900 0.129 0.000 1.128 383 Y CA 0.582 58.795 58.100 0.189 0.000 1.282 383 Y CB -0.185 38.482 38.460 0.345 0.000 1.027 383 Y HN 0.430 nan 8.280 nan 0.000 0.551 384 N N 0.985 119.816 118.700 0.218 0.000 2.699 384 N HA -0.231 4.509 4.740 -0.000 0.000 0.256 384 N C 0.416 176.012 175.510 0.145 0.000 0.993 384 N CA 0.833 53.971 53.050 0.146 0.000 0.759 384 N CB -1.303 37.239 38.487 0.092 0.000 0.906 384 N HN 0.667 nan 8.380 nan 0.000 0.541 385 I N -3.483 117.184 120.570 0.162 0.000 3.812 385 I HA 0.084 4.254 4.170 -0.000 0.000 0.320 385 I C 1.596 177.784 176.117 0.119 0.000 1.276 385 I CA -0.292 61.071 61.300 0.105 0.000 1.164 385 I CB -0.103 37.911 38.000 0.023 0.000 1.009 385 I HN 0.115 nan 8.210 nan 0.000 0.431 386 L N 1.541 122.854 121.223 0.150 0.000 2.012 386 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 386 L C 2.575 179.645 176.870 0.332 0.000 1.073 386 L CA 1.930 56.892 54.840 0.203 0.000 0.748 386 L CB -0.818 41.320 42.059 0.131 0.000 0.891 386 L HN 0.351 nan 8.230 nan 0.000 0.431 387 E N -0.436 119.937 120.200 0.288 0.000 2.051 387 E HA -0.289 4.061 4.350 -0.000 0.000 0.192 387 E C 2.079 178.695 176.600 0.026 0.000 0.991 387 E CA 1.414 57.927 56.400 0.189 0.000 0.799 387 E CB 0.064 29.822 29.700 0.096 0.000 0.748 387 E HN 0.556 nan 8.360 nan 0.000 0.449 388 E N 0.263 120.484 120.200 0.036 0.000 2.070 388 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 388 E C 2.087 178.676 176.600 -0.018 0.000 1.004 388 E CA 1.667 58.059 56.400 -0.013 0.000 0.805 388 E CB -0.291 29.410 29.700 0.001 0.000 0.744 388 E HN 0.086 nan 8.360 nan 0.000 0.451 389 V N 0.218 120.180 119.914 0.080 0.000 2.407 389 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 389 V C 2.294 178.448 176.094 0.101 0.000 1.055 389 V CA 1.812 64.216 62.300 0.175 0.000 1.049 389 V CB -1.023 30.962 31.823 0.270 0.000 0.662 389 V HN 0.502 nan 8.190 nan 0.000 0.455 390 G N -0.391 108.477 108.800 0.113 0.000 2.408 390 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 390 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 390 G C 1.787 176.582 174.900 -0.176 0.000 1.150 390 G CA 0.535 45.666 45.100 0.051 0.000 0.776 390 G HN 0.410 nan 8.290 nan 0.000 0.542 391 R N -0.078 120.282 120.500 -0.233 0.000 2.066 391 R HA 0.071 4.411 4.340 -0.000 0.000 0.232 391 R C 2.655 178.772 176.300 -0.305 0.000 1.131 391 R CA 0.867 56.811 56.100 -0.259 0.000 0.955 391 R CB -0.202 29.967 30.300 -0.219 0.000 0.851 391 R HN 0.208 nan 8.270 nan 0.000 0.432 392 R N -0.081 120.158 120.500 -0.435 0.000 2.328 392 R HA 0.003 4.343 4.340 -0.000 0.000 0.207 392 R C 1.554 177.360 176.300 -0.824 0.000 1.056 392 R CA 0.787 56.389 56.100 -0.831 0.000 1.016 392 R CB 0.051 29.484 30.300 -1.445 0.000 0.872 392 R HN 0.267 nan 8.270 nan 0.000 0.471 393 M N -0.929 118.445 119.600 -0.377 0.000 2.371 393 M HA 0.169 4.649 4.480 -0.000 0.000 0.246 393 M C 0.743 177.012 176.300 -0.053 0.000 1.103 393 M CA 0.265 55.512 55.300 -0.088 0.000 1.010 393 M CB 1.069 33.693 32.600 0.040 0.000 1.457 393 M HN 0.318 nan 8.290 nan 0.000 0.486 394 G N 2.216 110.935 108.800 -0.136 0.000 2.198 394 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 394 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 394 G C -0.088 174.769 174.900 -0.073 0.000 1.025 394 G CA -0.011 45.028 45.100 -0.103 0.000 0.769 394 G HN 0.399 nan 8.290 nan 0.000 0.507 395 L N -0.824 120.345 121.223 -0.090 0.000 2.439 395 L HA 0.423 4.763 4.340 -0.000 0.000 0.259 395 L C 1.051 177.816 176.870 -0.175 0.000 1.129 395 L CA -0.812 53.989 54.840 -0.066 0.000 0.803 395 L CB 0.509 42.584 42.059 0.027 0.000 1.161 395 L HN 0.173 nan 8.230 nan 0.000 0.462 396 E N 0.231 120.358 120.200 -0.121 0.000 2.222 396 E HA -0.002 4.348 4.350 -0.000 0.000 0.312 396 E C 0.573 176.927 176.600 -0.410 0.000 1.263 396 E CA -0.140 56.173 56.400 -0.146 0.000 1.356 396 E CB -0.157 29.537 29.700 -0.010 0.000 1.180 396 E HN 0.563 nan 8.360 nan 0.000 0.494 397 T N 0.330 114.428 114.554 -0.759 0.000 2.869 397 T HA -0.186 4.163 4.350 -0.000 0.000 0.270 397 T C 0.883 175.059 174.700 -0.872 0.000 1.082 397 T CA 1.366 62.599 62.100 -1.445 0.000 1.123 397 T CB -0.182 67.935 68.868 -1.252 0.000 0.856 397 T HN 0.504 nan 8.240 nan 0.000 0.499 398 H N -0.258 118.651 119.070 -0.268 0.000 2.551 398 H HA 0.250 4.806 4.556 -0.000 0.000 0.271 398 H C 0.247 175.589 175.328 0.022 0.000 0.984 398 H CA 0.256 56.258 56.048 -0.076 0.000 1.164 398 H CB 0.490 30.208 29.762 -0.073 0.000 1.437 398 H HN 0.086 nan 8.280 nan 0.000 0.550 399 T N 1.593 116.217 114.554 0.117 0.000 3.053 399 T HA 0.061 4.411 4.350 -0.000 0.000 0.363 399 T C 1.062 175.919 174.700 0.261 0.000 1.239 399 T CA -0.363 61.830 62.100 0.155 0.000 1.071 399 T CB 0.852 69.787 68.868 0.111 0.000 1.089 399 T HN 0.087 nan 8.240 nan 0.000 0.527 400 L N 3.419 124.795 121.223 0.255 0.000 2.051 400 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 400 L C 2.441 179.396 176.870 0.142 0.000 1.076 400 L CA 2.096 57.075 54.840 0.232 0.000 0.758 400 L CB -0.736 41.402 42.059 0.132 0.000 0.890 400 L HN 0.680 nan 8.230 nan 0.000 0.433 401 A N -1.512 121.376 122.820 0.114 0.000 2.225 401 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 401 A C 2.280 179.919 177.584 0.092 0.000 1.164 401 A CA 1.347 53.431 52.037 0.078 0.000 0.710 401 A CB -0.897 18.141 19.000 0.063 0.000 0.780 401 A HN 0.671 nan 8.150 nan 0.000 0.473 402 S N -0.705 115.087 115.700 0.153 0.000 2.522 402 S HA 0.152 4.621 4.470 -0.000 0.000 0.227 402 S C 0.849 175.537 174.600 0.147 0.000 0.986 402 S CA 0.574 58.870 58.200 0.161 0.000 0.929 402 S CB -0.652 62.674 63.200 0.209 0.000 0.769 402 S HN 0.852 nan 8.310 nan 0.000 0.529 403 L N 0.397 121.677 121.223 0.095 0.000 3.898 403 L HA -0.167 4.173 4.340 -0.000 0.000 0.407 403 L C 1.597 178.482 176.870 0.025 0.000 1.207 403 L CA 0.717 55.557 54.840 -0.000 0.000 0.931 403 L CB -2.628 39.441 42.059 0.017 0.000 2.014 403 L HN 0.737 nan 8.230 nan 0.000 0.858 404 W N 0.395 121.701 121.300 0.010 0.000 2.388 404 W HA -0.114 4.546 4.660 -0.000 0.000 0.294 404 W C 1.714 178.239 176.519 0.011 0.000 1.212 404 W CA 1.321 58.672 57.345 0.009 0.000 1.271 404 W CB -0.778 28.679 29.460 -0.005 0.000 1.126 404 W HN 0.254 nan 8.180 nan 0.000 0.535 405 K N 0.907 120.791 120.400 -0.859 0.000 2.103 405 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 405 K C 1.485 177.920 176.600 -0.275 0.000 1.048 405 K CA 2.281 58.098 56.287 -0.783 0.000 0.930 405 K CB -0.380 31.552 32.500 -0.946 0.000 0.716 405 K HN 0.013 nan 8.250 nan 0.000 0.444 406 D N 0.242 120.523 120.400 -0.198 0.000 2.097 406 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 406 D C 2.036 178.334 176.300 -0.004 0.000 0.989 406 D CA 1.061 55.014 54.000 -0.079 0.000 0.827 406 D CB 0.029 40.799 40.800 -0.050 0.000 0.966 406 D HN 0.102 nan 8.370 nan 0.000 0.456 407 R N 0.433 120.959 120.500 0.044 0.000 2.062 407 R HA 0.012 4.352 4.340 -0.000 0.000 0.231 407 R C 2.239 178.603 176.300 0.107 0.000 1.136 407 R CA 1.147 57.304 56.100 0.095 0.000 0.948 407 R CB -0.528 29.856 30.300 0.140 0.000 0.845 407 R HN 0.155 nan 8.270 nan 0.000 0.430 408 A N 0.930 123.833 122.820 0.138 0.000 1.841 408 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 408 A C 2.303 179.954 177.584 0.112 0.000 1.199 408 A CA 1.765 53.898 52.037 0.160 0.000 0.621 408 A CB -1.130 18.024 19.000 0.257 0.000 0.835 408 A HN 0.185 nan 8.150 nan 0.000 0.445 409 V N -0.037 119.913 119.914 0.059 0.000 2.439 409 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 409 V C 2.548 178.665 176.094 0.038 0.000 1.074 409 V CA 2.944 65.266 62.300 0.035 0.000 1.076 409 V CB -0.839 30.967 31.823 -0.028 0.000 0.664 409 V HN 0.688 nan 8.190 nan 0.000 0.461 410 T N -0.729 113.854 114.554 0.048 0.000 2.857 410 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 410 T C 1.768 176.507 174.700 0.066 0.000 1.048 410 T CA 1.185 63.321 62.100 0.060 0.000 1.139 410 T CB -0.170 68.744 68.868 0.076 0.000 0.874 410 T HN 0.487 nan 8.240 nan 0.000 0.455 411 E N 1.236 121.485 120.200 0.083 0.000 2.072 411 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 411 E C 2.186 178.783 176.600 -0.004 0.000 0.985 411 E CA 0.700 57.158 56.400 0.096 0.000 0.801 411 E CB -0.427 29.280 29.700 0.011 0.000 0.750 411 E HN 0.520 nan 8.360 nan 0.000 0.452 412 I N 1.049 121.652 120.570 0.055 0.000 2.286 412 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 412 I C 1.991 178.116 176.117 0.013 0.000 1.115 412 I CA 1.031 62.383 61.300 0.088 0.000 1.392 412 I CB -0.387 37.751 38.000 0.229 0.000 1.065 412 I HN 0.121 nan 8.210 nan 0.000 0.418 413 N N 0.152 118.854 118.700 0.004 0.000 2.223 413 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 413 N C 1.861 177.344 175.510 -0.045 0.000 1.016 413 N CA 0.852 53.889 53.050 -0.021 0.000 0.863 413 N CB 0.160 38.646 38.487 -0.003 0.000 0.983 413 N HN 0.091 nan 8.380 nan 0.000 0.429 414 V N 1.070 120.931 119.914 -0.088 0.000 2.379 414 V HA -0.151 3.968 4.120 -0.000 0.000 0.245 414 V C 2.307 178.241 176.094 -0.268 0.000 1.044 414 V CA 1.730 63.931 62.300 -0.164 0.000 1.036 414 V CB -0.757 30.937 31.823 -0.215 0.000 0.664 414 V HN 0.314 nan 8.190 nan 0.000 0.453 415 A N 0.014 122.584 122.820 -0.417 0.000 1.883 415 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 415 A C 2.415 179.953 177.584 -0.077 0.000 1.186 415 A CA 2.224 53.991 52.037 -0.450 0.000 0.624 415 A CB -0.767 17.649 19.000 -0.973 0.000 0.822 415 A HN 0.316 nan 8.150 nan 0.000 0.444 416 V N 0.164 120.074 119.914 -0.006 0.000 2.261 416 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 416 V C 2.605 178.747 176.094 0.081 0.000 1.047 416 V CA 2.071 64.427 62.300 0.093 0.000 1.015 416 V CB -0.786 31.032 31.823 -0.009 0.000 0.642 416 V HN 0.572 nan 8.190 nan 0.000 0.446 417 L N -0.587 120.634 121.223 -0.004 0.000 2.017 417 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 417 L C 2.647 179.561 176.870 0.074 0.000 1.073 417 L CA 2.124 56.968 54.840 0.008 0.000 0.745 417 L CB -0.994 41.066 42.059 0.001 0.000 0.894 417 L HN 0.517 nan 8.230 nan 0.000 0.432 418 H N 0.146 119.194 119.070 -0.037 0.000 2.319 418 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 418 H C 2.266 177.601 175.328 0.011 0.000 1.092 418 H CA 1.993 58.012 56.048 -0.049 0.000 1.302 418 H CB 0.268 29.938 29.762 -0.154 0.000 1.373 418 H HN 0.247 nan 8.280 nan 0.000 0.497 419 S N 0.358 116.002 115.700 -0.093 0.000 2.359 419 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 419 S C 2.037 176.608 174.600 -0.049 0.000 1.035 419 S CA 1.370 59.513 58.200 -0.094 0.000 1.018 419 S CB -0.586 62.666 63.200 0.087 0.000 0.876 419 S HN 0.288 nan 8.310 nan 0.000 0.448 420 F N 2.031 121.926 119.950 -0.092 0.000 2.102 420 F HA -0.131 4.395 4.527 -0.000 0.000 0.298 420 F C 2.682 178.432 175.800 -0.084 0.000 1.105 420 F CA 1.281 59.247 58.000 -0.056 0.000 1.239 420 F CB -0.711 38.277 39.000 -0.021 0.000 0.991 420 F HN 0.219 nan 8.300 nan 0.000 0.474 421 Q N -0.261 119.588 119.800 0.082 0.000 2.124 421 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 421 Q C 2.176 178.128 176.000 -0.080 0.000 0.977 421 Q CA 1.674 57.474 55.803 -0.006 0.000 0.850 421 Q CB -0.276 28.452 28.738 -0.018 0.000 0.901 421 Q HN 0.343 nan 8.270 nan 0.000 0.429 422 K N 0.844 121.138 120.400 -0.176 0.000 2.057 422 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 422 K C 1.685 178.212 176.600 -0.121 0.000 1.050 422 K CA 1.138 57.315 56.287 -0.183 0.000 0.935 422 K CB 0.196 32.513 32.500 -0.305 0.000 0.715 422 K HN 0.172 nan 8.250 nan 0.000 0.439 423 Q N 0.379 120.102 119.800 -0.128 0.000 2.415 423 Q HA 0.042 4.382 4.340 -0.000 0.000 0.206 423 Q C -0.447 175.497 176.000 -0.093 0.000 0.946 423 Q CA -0.042 55.691 55.803 -0.116 0.000 0.951 423 Q CB 0.242 28.881 28.738 -0.164 0.000 1.026 423 Q HN 0.316 nan 8.270 nan 0.000 0.510 424 N N 0.049 118.707 118.700 -0.068 0.000 2.735 424 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 424 N C -1.130 174.360 175.510 -0.033 0.000 1.083 424 N CA 0.553 53.575 53.050 -0.046 0.000 0.703 424 N CB -1.256 37.203 38.487 -0.047 0.000 1.005 424 N HN 0.031 nan 8.380 nan 0.000 0.550 425 V N 1.050 120.956 119.914 -0.014 0.000 2.407 425 V HA 0.203 4.323 4.120 -0.000 0.000 0.278 425 V C 1.017 177.218 176.094 0.178 0.000 1.037 425 V CA -0.506 61.821 62.300 0.044 0.000 0.900 425 V CB 1.837 33.605 31.823 -0.093 0.000 0.983 425 V HN 0.121 nan 8.190 nan 0.000 0.459 426 T N 6.596 121.206 114.554 0.093 0.000 2.871 426 T HA 0.374 4.724 4.350 -0.000 0.000 0.296 426 T C -0.249 174.519 174.700 0.114 0.000 0.998 426 T CA 0.918 62.998 62.100 -0.034 0.000 1.162 426 T CB -0.066 68.634 68.868 -0.280 0.000 0.947 426 T HN 0.553 nan 8.240 nan 0.000 0.536 427 I N 2.781 123.359 120.570 0.013 0.000 3.004 427 I HA 0.652 4.822 4.170 -0.000 0.000 0.305 427 I C -1.440 174.687 176.117 0.017 0.000 1.312 427 I CA -1.159 60.150 61.300 0.015 0.000 0.992 427 I CB 2.188 40.077 38.000 -0.184 0.000 1.282 427 I HN 0.646 nan 8.210 nan 0.000 0.449 428 M N 4.978 124.635 119.600 0.096 0.000 2.327 428 M HA 0.409 4.889 4.480 -0.000 0.000 0.298 428 M C -1.727 174.630 176.300 0.094 0.000 1.065 428 M CA -0.505 54.873 55.300 0.130 0.000 0.916 428 M CB 1.595 34.367 32.600 0.287 0.000 1.630 428 M HN 0.643 nan 8.290 nan 0.000 0.442 429 D N 2.358 122.808 120.400 0.084 0.000 2.339 429 D HA 0.114 4.754 4.640 -0.000 0.000 0.245 429 D C 1.173 177.534 176.300 0.103 0.000 1.115 429 D CA -0.133 53.933 54.000 0.110 0.000 0.917 429 D CB 0.643 41.490 40.800 0.078 0.000 1.192 429 D HN 0.692 nan 8.370 nan 0.000 0.428 430 H N 1.187 120.213 119.070 -0.074 0.000 2.387 430 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 430 H C 1.157 176.398 175.328 -0.146 0.000 1.090 430 H CA 1.613 57.572 56.048 -0.148 0.000 1.332 430 H CB -0.865 28.745 29.762 -0.254 0.000 1.386 430 H HN 0.570 nan 8.280 nan 0.000 0.516 431 H N 0.855 119.727 119.070 -0.330 0.000 2.293 431 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 431 H C 2.118 177.420 175.328 -0.043 0.000 1.082 431 H CA 2.058 57.994 56.048 -0.187 0.000 1.308 431 H CB -0.454 29.161 29.762 -0.245 0.000 1.375 431 H HN 0.396 nan 8.280 nan 0.000 0.495 432 T N 1.274 115.884 114.554 0.094 0.000 2.720 432 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 432 T C 2.350 177.117 174.700 0.113 0.000 1.037 432 T CA 1.267 63.423 62.100 0.094 0.000 1.144 432 T CB -0.464 68.456 68.868 0.086 0.000 0.864 432 T HN 0.457 nan 8.240 nan 0.000 0.444 433 A N 1.519 124.406 122.820 0.111 0.000 1.865 433 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 433 A C 2.641 180.313 177.584 0.147 0.000 1.191 433 A CA 2.186 54.301 52.037 0.131 0.000 0.623 433 A CB -1.090 17.973 19.000 0.105 0.000 0.826 433 A HN 0.448 nan 8.150 nan 0.000 0.444 434 S N -0.827 114.941 115.700 0.113 0.000 2.370 434 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 434 S C 1.956 176.673 174.600 0.196 0.000 1.033 434 S CA 1.616 59.903 58.200 0.144 0.000 1.011 434 S CB -0.304 62.950 63.200 0.090 0.000 0.852 434 S HN 0.722 nan 8.310 nan 0.000 0.457 435 E N 0.933 121.223 120.200 0.151 0.000 2.106 435 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 435 E C 2.177 178.858 176.600 0.135 0.000 0.984 435 E CA 1.326 57.805 56.400 0.132 0.000 0.806 435 E CB -0.051 29.711 29.700 0.103 0.000 0.750 435 E HN 0.634 nan 8.360 nan 0.000 0.458 436 S N -0.142 115.650 115.700 0.155 0.000 2.387 436 S HA -0.145 4.324 4.470 -0.000 0.000 0.226 436 S C 1.884 176.597 174.600 0.188 0.000 1.026 436 S CA 0.563 58.854 58.200 0.151 0.000 0.972 436 S CB -0.558 62.736 63.200 0.156 0.000 0.814 436 S HN 0.381 nan 8.310 nan 0.000 0.477 437 F N 2.305 122.315 119.950 0.099 0.000 2.216 437 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 437 F C 2.258 178.148 175.800 0.150 0.000 1.085 437 F CA 1.140 59.219 58.000 0.131 0.000 1.326 437 F CB -0.357 38.702 39.000 0.098 0.000 1.027 437 F HN 0.082 nan 8.300 nan 0.000 0.497 438 M N 0.119 119.760 119.600 0.069 0.000 2.086 438 M HA -0.188 4.291 4.480 -0.000 0.000 0.261 438 M C 2.255 178.505 176.300 -0.083 0.000 1.067 438 M CA 1.570 56.854 55.300 -0.027 0.000 1.116 438 M CB -1.185 31.459 32.600 0.072 0.000 1.348 438 M HN 0.067 nan 8.290 nan 0.000 0.407 439 K N -0.284 120.110 120.400 -0.010 0.000 2.103 439 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 439 K C 1.945 178.530 176.600 -0.026 0.000 1.048 439 K CA 1.828 58.112 56.287 -0.004 0.000 0.930 439 K CB -0.660 31.863 32.500 0.039 0.000 0.716 439 K HN 0.393 nan 8.250 nan 0.000 0.444 440 H N 0.082 119.060 119.070 -0.153 0.000 2.270 440 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 440 H C 2.026 177.196 175.328 -0.263 0.000 1.077 440 H CA 2.629 58.562 56.048 -0.191 0.000 1.294 440 H CB -0.391 29.229 29.762 -0.235 0.000 1.371 440 H HN 0.278 nan 8.280 nan 0.000 0.491 441 M N -0.036 119.188 119.600 -0.627 0.000 2.144 441 M HA -0.263 4.217 4.480 -0.000 0.000 0.260 441 M C 2.111 178.308 176.300 -0.171 0.000 1.067 441 M CA 2.076 57.066 55.300 -0.517 0.000 1.095 441 M CB -0.059 32.252 32.600 -0.482 0.000 1.365 441 M HN 0.449 nan 8.290 nan 0.000 0.406 442 Q N 0.030 119.739 119.800 -0.152 0.000 2.079 442 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 442 Q C 1.824 177.793 176.000 -0.053 0.000 0.974 442 Q CA 1.663 57.425 55.803 -0.068 0.000 0.840 442 Q CB -0.186 28.509 28.738 -0.072 0.000 0.898 442 Q HN 0.611 nan 8.270 nan 0.000 0.430 443 N N 0.494 119.133 118.700 -0.101 0.000 2.120 443 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 443 N C 1.554 176.988 175.510 -0.127 0.000 1.024 443 N CA 1.018 54.021 53.050 -0.079 0.000 0.852 443 N CB -0.113 38.352 38.487 -0.037 0.000 1.003 443 N HN 0.227 nan 8.380 nan 0.000 0.424 444 E N 0.202 120.242 120.200 -0.266 0.000 2.110 444 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 444 E C 1.802 178.232 176.600 -0.283 0.000 0.988 444 E CA 0.746 56.941 56.400 -0.341 0.000 0.804 444 E CB -0.351 29.014 29.700 -0.559 0.000 0.745 444 E HN 0.507 nan 8.360 nan 0.000 0.458 445 Y N 0.730 120.918 120.300 -0.187 0.000 2.263 445 Y HA -0.065 4.485 4.550 -0.000 0.000 0.292 445 Y C 2.555 178.389 175.900 -0.109 0.000 1.130 445 Y CA 1.129 59.151 58.100 -0.131 0.000 1.179 445 Y CB 0.014 38.398 38.460 -0.126 0.000 0.998 445 Y HN -0.047 nan 8.280 nan 0.000 0.532 446 R N -0.659 119.850 120.500 0.016 0.000 2.073 446 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 446 R C 2.475 178.752 176.300 -0.038 0.000 1.120 446 R CA 1.059 57.150 56.100 -0.014 0.000 0.967 446 R CB -0.477 29.813 30.300 -0.017 0.000 0.862 446 R HN 0.278 nan 8.270 nan 0.000 0.436 447 A N 1.552 124.336 122.820 -0.060 0.000 1.898 447 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 447 A C 1.593 179.130 177.584 -0.079 0.000 1.181 447 A CA 1.565 53.567 52.037 -0.058 0.000 0.620 447 A CB -0.111 18.852 19.000 -0.062 0.000 0.819 447 A HN 0.434 nan 8.150 nan 0.000 0.442 448 R N -2.886 117.534 120.500 -0.133 0.000 2.534 448 R HA 0.377 4.717 4.340 -0.000 0.000 0.438 448 R C 0.569 176.764 176.300 -0.174 0.000 0.913 448 R CA 0.232 56.252 56.100 -0.133 0.000 1.130 448 R CB -0.968 29.248 30.300 -0.139 0.000 1.611 448 R HN 0.887 nan 8.270 nan 0.000 0.571 449 G N 0.199 108.883 108.800 -0.194 0.000 2.371 449 G HA2 0.049 4.008 3.960 -0.000 0.000 0.299 449 G HA3 0.049 4.008 3.960 -0.000 0.000 0.299 449 G C 0.300 174.932 174.900 -0.446 0.000 1.014 449 G CA 0.398 45.371 45.100 -0.212 0.000 1.097 449 G HN 1.042 nan 8.290 nan 0.000 0.512 450 G N -2.332 105.834 108.800 -1.056 0.000 2.350 450 G HA2 0.532 4.492 3.960 -0.000 0.000 0.305 450 G HA3 0.532 4.492 3.960 -0.000 0.000 0.305 450 G C -0.737 173.679 174.900 -0.807 0.000 1.479 450 G CA 0.199 44.632 45.100 -1.111 0.000 0.949 450 G HN 2.019 nan 8.290 nan 0.000 0.651 451 C N 2.485 121.547 119.300 -0.397 0.000 2.887 451 C HA 0.645 5.105 4.460 -0.000 0.000 0.379 451 C C -2.549 172.357 174.990 -0.139 0.000 1.064 451 C CA -1.162 57.728 59.018 -0.214 0.000 1.282 451 C CB 1.250 28.896 27.740 -0.157 0.000 1.749 451 C HN 0.702 nan 8.230 nan 0.000 0.489 452 P HA 0.336 nan 4.420 nan 0.000 0.264 452 P C -0.490 176.700 177.300 -0.184 0.000 1.229 452 P CA 0.757 63.468 63.100 -0.649 0.000 0.780 452 P CB 0.718 31.898 31.700 -0.867 0.000 0.808 453 A N 3.207 126.004 122.820 -0.039 0.000 2.393 453 A HA 0.422 4.742 4.320 -0.000 0.000 0.306 453 A C -0.617 177.048 177.584 0.135 0.000 1.050 453 A CA -0.562 51.547 52.037 0.121 0.000 0.724 453 A CB 1.172 20.359 19.000 0.312 0.000 1.248 453 A HN 0.411 nan 8.150 nan 0.000 0.424 454 D N 2.236 122.711 120.400 0.126 0.000 2.499 454 D HA 0.083 4.723 4.640 -0.000 0.000 0.225 454 D C 0.868 177.331 176.300 0.273 0.000 1.124 454 D CA -0.604 53.518 54.000 0.203 0.000 0.938 454 D CB 0.074 40.958 40.800 0.141 0.000 1.014 454 D HN 0.630 nan 8.370 nan 0.000 0.517 455 W N 4.017 125.378 121.300 0.102 0.000 2.274 455 W HA -0.284 4.376 4.660 -0.000 0.000 0.314 455 W C 1.644 178.211 176.519 0.080 0.000 1.254 455 W CA 1.399 58.787 57.345 0.072 0.000 1.265 455 W CB -0.064 29.418 29.460 0.038 0.000 1.141 455 W HN 0.450 nan 8.180 nan 0.000 0.505 456 I N -1.278 119.622 120.570 0.550 0.000 2.454 456 I HA -0.274 3.896 4.170 -0.000 0.000 0.254 456 I C 1.641 177.909 176.117 0.252 0.000 1.156 456 I CA 1.225 62.788 61.300 0.439 0.000 1.433 456 I CB -0.580 37.674 38.000 0.422 0.000 1.082 456 I HN 0.112 nan 8.210 nan 0.000 0.432 457 W N -0.019 121.289 121.300 0.013 0.000 2.683 457 W HA 0.176 4.836 4.660 -0.000 0.000 0.267 457 W C 2.124 178.556 176.519 -0.144 0.000 1.243 457 W CA 0.101 57.420 57.345 -0.042 0.000 1.380 457 W CB -0.213 29.245 29.460 -0.004 0.000 1.063 457 W HN -0.090 nan 8.180 nan 0.000 0.599 458 L N -0.071 121.143 121.223 -0.016 0.000 2.395 458 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 458 L C 0.480 177.164 176.870 -0.309 0.000 1.130 458 L CA 0.359 55.057 54.840 -0.237 0.000 0.826 458 L CB -0.695 41.141 42.059 -0.371 0.000 0.941 458 L HN -0.384 nan 8.230 nan 0.000 0.451 459 V N 1.241 120.915 119.914 -0.400 0.000 2.406 459 V HA 0.204 4.324 4.120 -0.000 0.000 0.272 459 V C -1.891 174.050 176.094 -0.255 0.000 1.043 459 V CA -1.560 60.483 62.300 -0.429 0.000 0.915 459 V CB 0.902 32.243 31.823 -0.803 0.000 0.988 459 V HN 0.018 nan 8.190 nan 0.000 0.466 460 P HA 0.067 nan 4.420 nan 0.000 0.266 460 P C -1.923 175.270 177.300 -0.179 0.000 1.193 460 P CA -0.888 62.108 63.100 -0.173 0.000 0.770 460 P CB 0.055 31.681 31.700 -0.122 0.000 0.836 461 P HA -0.042 nan 4.420 nan 0.000 0.244 461 P C -0.245 176.958 177.300 -0.161 0.000 1.211 461 P CA 0.819 63.811 63.100 -0.180 0.000 0.760 461 P CB 0.006 31.584 31.700 -0.203 0.000 0.961 462 V N -7.093 112.712 119.914 -0.180 0.000 3.204 462 V HA 0.499 4.619 4.120 -0.000 0.000 0.298 462 V C 0.394 176.445 176.094 -0.072 0.000 1.328 462 V CA -0.794 61.424 62.300 -0.137 0.000 1.035 462 V CB 1.231 32.946 31.823 -0.180 0.000 1.095 462 V HN -0.155 nan 8.190 nan 0.000 0.442 463 S N 0.557 116.257 115.700 -0.001 0.000 3.476 463 S HA -0.212 4.258 4.470 -0.000 0.000 0.309 463 S C 1.633 176.233 174.600 0.001 0.000 1.222 463 S CA 1.705 59.940 58.200 0.058 0.000 0.922 463 S CB -1.592 61.721 63.200 0.188 0.000 1.023 463 S HN 2.217 nan 8.310 nan 0.000 0.591 464 G N 2.407 111.184 108.800 -0.039 0.000 2.839 464 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.221 464 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.221 464 G C 1.443 176.225 174.900 -0.197 0.000 1.271 464 G CA 1.997 47.077 45.100 -0.035 0.000 0.789 464 G HN 1.382 nan 8.290 nan 0.000 0.659 465 S N 0.231 115.524 115.700 -0.678 0.000 2.547 465 S HA 0.053 4.523 4.470 -0.000 0.000 0.235 465 S C 2.033 176.575 174.600 -0.096 0.000 0.980 465 S CA 0.876 58.521 58.200 -0.925 0.000 0.941 465 S CB -0.058 62.493 63.200 -1.082 0.000 0.763 465 S HN 0.259 nan 8.310 nan 0.000 0.532 466 I N 2.735 123.288 120.570 -0.029 0.000 3.059 466 I HA 0.042 4.212 4.170 -0.000 0.000 0.270 466 I C 1.360 177.578 176.117 0.169 0.000 1.238 466 I CA 0.636 61.992 61.300 0.095 0.000 1.478 466 I CB -1.928 36.157 38.000 0.141 0.000 1.097 466 I HN 0.473 nan 8.210 nan 0.000 0.455 467 T N -0.665 113.977 114.554 0.148 0.000 2.907 467 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 467 T C -1.356 173.494 174.700 0.250 0.000 1.004 467 T CA -1.759 60.440 62.100 0.166 0.000 1.063 467 T CB 2.280 71.190 68.868 0.070 0.000 0.992 467 T HN -0.066 nan 8.240 nan 0.000 0.483 468 P HA -0.079 nan 4.420 nan 0.000 0.222 468 P C 1.770 179.260 177.300 0.318 0.000 1.147 468 P CA 0.922 64.203 63.100 0.301 0.000 0.790 468 P CB -0.299 31.521 31.700 0.201 0.000 0.780 469 V N -3.636 116.410 119.914 0.221 0.000 2.594 469 V HA -0.198 3.922 4.120 -0.000 0.000 0.253 469 V C 2.347 178.495 176.094 0.091 0.000 1.069 469 V CA 1.301 63.692 62.300 0.153 0.000 1.082 469 V CB -2.242 29.596 31.823 0.024 0.000 0.680 469 V HN -0.102 nan 8.190 nan 0.000 0.469 470 F N 1.941 121.846 119.950 -0.075 0.000 2.171 470 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 470 F C 2.332 178.256 175.800 0.207 0.000 1.090 470 F CA 2.004 59.976 58.000 -0.046 0.000 1.293 470 F CB -0.391 38.497 39.000 -0.187 0.000 1.013 470 F HN 0.294 nan 8.300 nan 0.000 0.486 471 H N -0.737 118.710 119.070 0.628 0.000 2.526 471 H HA 0.133 4.689 4.556 -0.000 0.000 0.274 471 H C 0.155 175.753 175.328 0.450 0.000 0.999 471 H CA 0.176 56.543 56.048 0.531 0.000 1.157 471 H CB -0.122 29.916 29.762 0.459 0.000 1.407 471 H HN 0.258 nan 8.280 nan 0.000 0.568 472 Q N 1.898 121.988 119.800 0.483 0.000 2.347 472 Q HA 0.173 4.513 4.340 -0.000 0.000 0.262 472 Q C -0.673 175.569 176.000 0.403 0.000 0.980 472 Q CA -0.481 55.548 55.803 0.376 0.000 0.867 472 Q CB 0.880 29.795 28.738 0.296 0.000 1.242 472 Q HN 0.229 nan 8.270 nan 0.000 0.453 473 E N 4.093 124.474 120.200 0.302 0.000 2.373 473 E HA 0.361 4.711 4.350 -0.000 0.000 0.267 473 E C -0.317 176.416 176.600 0.221 0.000 1.032 473 E CA 0.147 56.682 56.400 0.224 0.000 0.889 473 E CB 0.736 30.553 29.700 0.196 0.000 0.984 473 E HN 0.648 nan 8.360 nan 0.000 0.425 474 M N 1.206 120.943 119.600 0.228 0.000 2.618 474 M HA 0.485 4.965 4.480 -0.000 0.000 0.281 474 M C -1.214 175.212 176.300 0.211 0.000 1.267 474 M CA -0.963 54.485 55.300 0.246 0.000 0.845 474 M CB 1.450 34.247 32.600 0.327 0.000 1.732 474 M HN 0.243 nan 8.290 nan 0.000 0.461 475 L N 2.072 123.435 121.223 0.232 0.000 2.305 475 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 475 L C -0.807 176.183 176.870 0.201 0.000 1.013 475 L CA -0.534 54.456 54.840 0.251 0.000 0.819 475 L CB 1.659 43.901 42.059 0.306 0.000 1.227 475 L HN 0.713 nan 8.230 nan 0.000 0.417 476 N N 3.562 122.382 118.700 0.200 0.000 2.430 476 N HA 0.573 5.313 4.740 -0.000 0.000 0.292 476 N C -1.550 173.939 175.510 -0.035 0.000 1.051 476 N CA -0.148 52.927 53.050 0.041 0.000 0.917 476 N CB 0.952 39.585 38.487 0.243 0.000 1.164 476 N HN 0.382 nan 8.380 nan 0.000 0.484 477 Y N -0.793 119.314 120.300 -0.322 0.000 2.620 477 Y HA 0.432 4.982 4.550 -0.000 0.000 0.331 477 Y C -1.536 174.060 175.900 -0.507 0.000 1.173 477 Y CA -1.347 56.414 58.100 -0.564 0.000 1.076 477 Y CB 0.390 38.700 38.460 -0.251 0.000 1.336 477 Y HN 0.043 nan 8.280 nan 0.000 0.459 478 V N 4.361 123.988 119.914 -0.478 0.000 2.385 478 V HA 0.352 4.472 4.120 -0.000 0.000 0.269 478 V C 0.239 176.125 176.094 -0.347 0.000 1.043 478 V CA -0.253 61.664 62.300 -0.639 0.000 0.906 478 V CB 0.409 31.721 31.823 -0.852 0.000 0.995 478 V HN 0.735 nan 8.190 nan 0.000 0.467 479 L N 3.114 124.206 121.223 -0.219 0.000 2.805 479 L HA 0.727 5.067 4.340 -0.000 0.000 0.242 479 L C 0.322 177.159 176.870 -0.054 0.000 1.180 479 L CA -0.446 54.367 54.840 -0.044 0.000 1.001 479 L CB 1.494 43.586 42.059 0.054 0.000 1.864 479 L HN 0.613 nan 8.230 nan 0.000 0.551 480 S N -0.936 114.777 115.700 0.022 0.000 2.543 480 S HA 0.485 4.955 4.470 -0.000 0.000 0.273 480 S C -2.708 171.937 174.600 0.075 0.000 1.152 480 S CA -0.994 57.230 58.200 0.041 0.000 0.910 480 S CB 1.893 65.101 63.200 0.014 0.000 1.105 480 S HN 0.123 nan 8.310 nan 0.000 0.465 481 P HA 0.418 nan 4.420 nan 0.000 0.270 481 P C -1.252 176.009 177.300 -0.064 0.000 1.227 481 P CA -0.005 63.056 63.100 -0.064 0.000 0.788 481 P CB 0.225 31.825 31.700 -0.166 0.000 0.926 482 F N 0.266 119.995 119.950 -0.369 0.000 2.665 482 F HA 0.405 4.932 4.527 -0.000 0.000 0.308 482 F C -1.638 173.825 175.800 -0.561 0.000 1.112 482 F CA -0.739 56.959 58.000 -0.503 0.000 0.972 482 F CB 1.141 39.808 39.000 -0.554 0.000 1.295 482 F HN 0.152 nan 8.300 nan 0.000 0.440 483 Y N 4.723 124.505 120.300 -0.863 0.000 2.385 483 Y HA 0.432 4.982 4.550 -0.000 0.000 0.341 483 Y C -0.840 174.737 175.900 -0.538 0.000 0.965 483 Y CA -0.643 57.161 58.100 -0.493 0.000 1.180 483 Y CB 0.278 38.471 38.460 -0.445 0.000 1.139 483 Y HN 0.384 nan 8.280 nan 0.000 0.502 484 Y N 1.233 121.581 120.300 0.080 0.000 2.458 484 Y HA 0.394 4.944 4.550 -0.000 0.000 0.322 484 Y C -0.212 175.678 175.900 -0.017 0.000 1.259 484 Y CA -0.978 57.155 58.100 0.055 0.000 1.302 484 Y CB 0.790 39.347 38.460 0.162 0.000 1.314 484 Y HN 0.406 nan 8.280 nan 0.000 0.509 485 Y N 0.212 120.697 120.300 0.307 0.000 2.340 485 Y HA 0.444 4.994 4.550 -0.000 0.000 0.327 485 Y C -0.081 175.884 175.900 0.108 0.000 1.321 485 Y CA -1.073 57.115 58.100 0.148 0.000 1.433 485 Y CB 0.686 39.207 38.460 0.101 0.000 1.373 485 Y HN 0.423 nan 8.280 nan 0.000 0.538 486 Q N 0.047 119.972 119.800 0.208 0.000 2.501 486 Q HA 0.446 4.786 4.340 -0.000 0.000 0.288 486 Q C -1.690 174.278 176.000 -0.054 0.000 1.051 486 Q CA -1.222 54.613 55.803 0.053 0.000 0.788 486 Q CB 2.564 31.308 28.738 0.009 0.000 1.469 486 Q HN 0.355 nan 8.270 nan 0.000 0.416 487 I N 1.812 122.312 120.570 -0.117 0.000 2.496 487 I HA -0.014 4.156 4.170 -0.000 0.000 0.285 487 I C 0.196 176.081 176.117 -0.386 0.000 1.080 487 I CA 0.312 61.488 61.300 -0.206 0.000 1.404 487 I CB 0.381 38.274 38.000 -0.178 0.000 1.403 487 I HN 0.415 nan 8.210 nan 0.000 0.539 488 E N 9.042 128.917 120.200 -0.541 0.000 2.729 488 E HA -0.109 4.241 4.350 -0.000 0.000 0.246 488 E C -1.354 174.505 176.600 -1.235 0.000 0.984 488 E CA -0.615 55.148 56.400 -1.060 0.000 0.951 488 E CB 0.031 28.938 29.700 -1.321 0.000 0.914 488 E HN 0.450 nan 8.360 nan 0.000 0.509 489 P HA -0.223 nan 4.420 nan 0.000 0.218 489 P C 0.885 177.507 177.300 -1.130 0.000 1.154 489 P CA 1.703 64.109 63.100 -1.155 0.000 0.872 489 P CB -0.242 30.514 31.700 -1.573 0.000 0.790 490 W N 0.651 121.362 121.300 -0.983 0.000 2.747 490 W HA 0.123 4.783 4.660 -0.000 0.000 0.244 490 W C 1.543 178.043 176.519 -0.031 0.000 1.270 490 W CA 0.306 57.411 57.345 -0.400 0.000 1.333 490 W CB -1.292 28.161 29.460 -0.011 0.000 1.139 490 W HN -0.026 nan 8.180 nan 0.000 0.662 491 K N 0.205 120.387 120.400 -0.363 0.000 2.313 491 K HA 0.074 4.394 4.320 -0.000 0.000 0.197 491 K C 0.807 177.359 176.600 -0.080 0.000 1.061 491 K CA 1.190 57.392 56.287 -0.140 0.000 0.980 491 K CB 0.107 32.454 32.500 -0.255 0.000 0.888 491 K HN 0.103 nan 8.250 nan 0.000 0.502 492 T N -0.811 113.649 114.554 -0.156 0.000 3.350 492 T HA 0.222 4.572 4.350 -0.000 0.000 0.246 492 T C -0.952 173.738 174.700 -0.017 0.000 1.284 492 T CA -0.691 61.359 62.100 -0.083 0.000 1.329 492 T CB -0.220 68.575 68.868 -0.122 0.000 1.033 492 T HN 0.092 nan 8.240 nan 0.000 0.632 493 H N 1.592 120.618 119.070 -0.074 0.000 3.018 493 H HA 0.537 5.093 4.556 -0.000 0.000 0.334 493 H C -1.095 174.216 175.328 -0.028 0.000 0.983 493 H CA -1.237 54.755 56.048 -0.094 0.000 1.363 493 H CB 0.594 30.268 29.762 -0.146 0.000 1.668 493 H HN 0.365 nan 8.280 nan 0.000 0.513 494 I N 3.537 123.839 120.570 -0.446 0.000 2.322 494 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 494 I C -0.070 175.739 176.117 -0.512 0.000 1.060 494 I CA -0.766 60.370 61.300 -0.272 0.000 1.309 494 I CB -0.664 37.247 38.000 -0.150 0.000 1.415 494 I HN 0.416 nan 8.210 nan 0.000 0.492 495 W N 0.000 121.136 121.300 -0.274 0.000 2.388 495 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 495 W CA 0.000 57.273 57.345 -0.121 0.000 1.226 495 W CB 0.000 29.511 29.460 0.084 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535