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 3ebd_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 IEPWKTHIWQ N 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 0.000 176.149 176.000 0.248 0.000 1.003 77 Q CA 0.000 55.800 55.803 -0.006 0.000 1.022 77 Q CB 0.000 28.685 28.738 -0.088 0.000 1.108 78 Y N -2.216 118.209 120.300 0.210 0.000 2.576 78 Y HA 0.907 5.457 4.550 0.000 0.000 0.346 78 Y C -0.585 175.434 175.900 0.198 0.000 1.018 78 Y CA -2.549 55.710 58.100 0.265 0.000 1.050 78 Y CB 1.228 39.803 38.460 0.193 0.000 1.280 78 Y HN 0.090 nan 8.280 nan 0.000 0.474 79 V N 3.383 123.586 119.914 0.481 0.000 2.427 79 V HA 0.465 4.585 4.120 0.000 0.000 0.286 79 V C 0.019 176.323 176.094 0.350 0.000 1.034 79 V CA -0.890 61.560 62.300 0.250 0.000 0.893 79 V CB 1.228 33.004 31.823 -0.079 0.000 0.982 79 V HN 0.821 nan 8.190 nan 0.000 0.452 80 R N 4.546 125.235 120.500 0.316 0.000 2.267 80 R HA 0.453 4.793 4.340 0.000 0.000 0.319 80 R C -1.015 175.297 176.300 0.020 0.000 1.067 80 R CA -0.361 55.845 56.100 0.176 0.000 0.936 80 R CB 0.414 30.853 30.300 0.231 0.000 1.006 80 R HN 0.519 nan 8.270 nan 0.000 0.452 81 I N 3.888 124.395 120.570 -0.104 0.000 2.530 81 I HA 0.380 4.550 4.170 0.000 0.000 0.297 81 I C -0.284 175.714 176.117 -0.199 0.000 1.011 81 I CA -0.601 60.630 61.300 -0.114 0.000 1.107 81 I CB 1.740 39.656 38.000 -0.141 0.000 1.285 81 I HN 0.642 nan 8.210 nan 0.000 0.436 82 K N 4.463 124.766 120.400 -0.162 0.000 2.426 82 K HA 0.370 4.690 4.320 0.000 0.000 0.251 82 K C -0.873 175.579 176.600 -0.246 0.000 0.941 82 K CA -0.623 55.480 56.287 -0.307 0.000 0.808 82 K CB 1.987 34.167 32.500 -0.533 0.000 1.265 82 K HN 0.565 nan 8.250 nan 0.000 0.432 83 N N 4.011 122.553 118.700 -0.264 0.000 2.558 83 N HA 0.106 4.846 4.740 0.000 0.000 0.242 83 N C -0.350 175.093 175.510 -0.111 0.000 0.979 83 N CA -0.385 52.629 53.050 -0.061 0.000 0.931 83 N CB 0.399 38.871 38.487 -0.026 0.000 1.122 83 N HN 0.654 nan 8.380 nan 0.000 0.508 84 W N 2.424 123.793 121.300 0.116 0.000 2.848 84 W HA 0.156 4.816 4.660 0.000 0.000 0.241 84 W C 1.986 178.544 176.519 0.064 0.000 1.289 84 W CA 0.212 57.620 57.345 0.105 0.000 1.396 84 W CB 0.103 29.657 29.460 0.156 0.000 1.138 84 W HN 0.638 nan 8.180 nan 0.000 0.677 85 G N -0.568 108.346 108.800 0.191 0.000 2.441 85 G HA2 -0.146 3.814 3.960 0.000 0.000 0.212 85 G HA3 -0.146 3.814 3.960 0.000 0.000 0.212 85 G C 1.508 176.410 174.900 0.004 0.000 1.164 85 G CA 1.109 46.223 45.100 0.023 0.000 0.811 85 G HN 0.275 nan 8.290 nan 0.000 0.535 86 S N -1.404 114.293 115.700 -0.005 0.000 2.512 86 S HA 0.393 4.863 4.470 0.000 0.000 0.216 86 S C 1.849 176.405 174.600 -0.073 0.000 1.006 86 S CA 1.032 59.211 58.200 -0.035 0.000 0.915 86 S CB 0.436 63.614 63.200 -0.036 0.000 0.824 86 S HN 1.484 nan 8.310 nan 0.000 0.497 87 G N 0.770 109.498 108.800 -0.120 0.000 2.184 87 G HA2 -0.287 3.673 3.960 0.000 0.000 0.264 87 G HA3 -0.287 3.673 3.960 0.000 0.000 0.264 87 G C -0.071 174.701 174.900 -0.214 0.000 0.975 87 G CA 0.383 45.367 45.100 -0.194 0.000 0.642 87 G HN 0.598 nan 8.290 nan 0.000 0.536 88 E N 0.293 120.387 120.200 -0.177 0.000 2.437 88 E HA 0.454 4.804 4.350 0.000 0.000 0.263 88 E C 0.745 177.193 176.600 -0.254 0.000 1.030 88 E CA 0.232 56.520 56.400 -0.186 0.000 0.934 88 E CB 0.350 29.959 29.700 -0.152 0.000 0.943 88 E HN 0.258 nan 8.360 nan 0.000 0.444 89 I N 3.724 124.129 120.570 -0.275 0.000 2.569 89 I HA 0.396 4.566 4.170 0.000 0.000 0.296 89 I C -0.361 175.467 176.117 -0.482 0.000 1.028 89 I CA -0.538 60.543 61.300 -0.364 0.000 1.082 89 I CB 1.013 38.807 38.000 -0.343 0.000 1.264 89 I HN 0.427 nan 8.210 nan 0.000 0.429 90 L N 4.676 125.544 121.223 -0.591 0.000 2.350 90 L HA 0.509 4.850 4.340 0.000 0.000 0.260 90 L C -0.873 175.566 176.870 -0.718 0.000 1.015 90 L CA -0.812 53.621 54.840 -0.678 0.000 0.821 90 L CB 2.582 44.111 42.059 -0.884 0.000 1.370 90 L HN 0.456 nan 8.230 nan 0.000 0.416 91 H N 1.016 119.953 119.070 -0.222 0.000 2.708 91 H HA 0.215 4.771 4.556 0.000 0.000 0.320 91 H C -1.272 174.164 175.328 0.181 0.000 0.991 91 H CA -0.623 55.301 56.048 -0.208 0.000 1.243 91 H CB 2.002 31.401 29.762 -0.606 0.000 1.446 91 H HN 0.467 nan 8.280 nan 0.000 0.502 92 D N 2.516 123.157 120.400 0.401 0.000 2.316 92 D HA 0.043 4.683 4.640 0.000 0.000 0.245 92 D C 0.878 177.445 176.300 0.446 0.000 1.171 92 D CA -0.006 54.277 54.000 0.471 0.000 0.856 92 D CB 1.260 42.308 40.800 0.414 0.000 1.090 92 D HN 0.644 nan 8.370 nan 0.000 0.476 93 T N 1.048 115.779 114.554 0.295 0.000 2.969 93 T HA -0.051 4.299 4.350 0.000 0.000 0.250 93 T C 1.871 176.568 174.700 -0.005 0.000 1.021 93 T CA -0.260 61.972 62.100 0.220 0.000 1.003 93 T CB 0.004 68.990 68.868 0.197 0.000 1.040 93 T HN 0.246 nan 8.240 nan 0.000 0.492 94 L N 3.320 124.533 121.223 -0.017 0.000 2.187 94 L HA -0.119 4.221 4.340 0.000 0.000 0.213 94 L C 2.557 179.241 176.870 -0.311 0.000 1.100 94 L CA 1.950 56.738 54.840 -0.088 0.000 0.765 94 L CB -0.991 41.061 42.059 -0.011 0.000 0.904 94 L HN 0.602 nan 8.230 nan 0.000 0.437 95 H N -2.420 116.254 119.070 -0.661 0.000 2.489 95 H HA -0.201 4.356 4.556 0.000 0.000 0.295 95 H C 1.665 176.606 175.328 -0.644 0.000 1.082 95 H CA 1.879 57.193 56.048 -1.224 0.000 1.295 95 H CB -1.052 28.014 29.762 -1.159 0.000 1.380 95 H HN 0.558 nan 8.280 nan 0.000 0.548 96 H N 0.800 119.375 119.070 -0.824 0.000 2.521 96 H HA 0.033 4.589 4.556 0.000 0.000 0.286 96 H C 1.505 176.683 175.328 -0.251 0.000 1.034 96 H CA 0.804 56.552 56.048 -0.499 0.000 1.278 96 H CB 0.381 29.886 29.762 -0.428 0.000 1.386 96 H HN 0.160 nan 8.280 nan 0.000 0.567 97 K N 0.537 120.862 120.400 -0.124 0.000 2.458 97 K HA 0.223 4.543 4.320 0.000 0.000 0.194 97 K C 0.665 177.250 176.600 -0.025 0.000 1.024 97 K CA 0.186 56.451 56.287 -0.037 0.000 1.108 97 K CB 0.514 33.011 32.500 -0.006 0.000 0.846 97 K HN 0.161 nan 8.250 nan 0.000 0.518 98 A N 2.238 125.012 122.820 -0.078 0.000 3.033 98 A HA 0.015 4.335 4.320 0.000 0.000 0.250 98 A C 0.927 178.502 177.584 -0.016 0.000 1.633 98 A CA -0.180 51.834 52.037 -0.040 0.000 1.290 98 A CB -1.043 17.909 19.000 -0.080 0.000 1.048 98 A HN 0.236 nan 8.150 nan 0.000 0.648 99 T N -1.000 113.562 114.554 0.014 0.000 4.287 99 T HA 0.209 4.559 4.350 0.000 0.000 0.253 99 T C 0.360 175.091 174.700 0.050 0.000 0.904 99 T CA 0.698 62.824 62.100 0.043 0.000 1.004 99 T CB -1.152 67.764 68.868 0.079 0.000 1.271 99 T HN 0.301 nan 8.240 nan 0.000 0.681 100 S N 0.171 115.888 115.700 0.029 0.000 2.661 100 S HA 0.569 5.039 4.470 0.000 0.000 0.285 100 S C -0.776 173.862 174.600 0.064 0.000 1.138 100 S CA -1.062 57.160 58.200 0.037 0.000 0.855 100 S CB 1.799 64.996 63.200 -0.005 0.000 1.136 100 S HN 0.501 nan 8.310 nan 0.000 0.484 101 D N -0.484 119.971 120.400 0.091 0.000 2.423 101 D HA 0.711 5.351 4.640 0.000 0.000 0.255 101 D C -1.193 175.254 176.300 0.244 0.000 1.174 101 D CA -0.145 53.932 54.000 0.128 0.000 1.008 101 D CB 0.736 41.592 40.800 0.092 0.000 1.101 101 D HN 0.238 nan 8.370 nan 0.000 0.516 102 F N -1.022 118.937 119.950 0.015 0.000 2.711 102 F HA 0.180 4.707 4.527 0.000 0.000 0.313 102 F C 1.527 177.343 175.800 0.026 0.000 1.141 102 F CA -0.042 57.968 58.000 0.016 0.000 0.941 102 F CB 0.743 39.756 39.000 0.023 0.000 1.349 102 F HN 0.428 nan 8.300 nan 0.000 0.464 103 T N -0.537 113.461 114.554 -0.927 0.000 2.516 103 T HA -0.193 4.157 4.350 0.000 0.000 0.261 103 T C 1.195 175.743 174.700 -0.253 0.000 1.130 103 T CA 1.606 63.346 62.100 -0.600 0.000 1.193 103 T CB -1.325 67.064 68.868 -0.797 0.000 0.864 103 T HN 0.567 nan 8.240 nan 0.000 0.410 104 C N 3.843 123.037 119.300 -0.177 0.000 2.727 104 C HA 0.450 4.910 4.460 0.000 0.000 0.401 104 C C 1.548 176.554 174.990 0.027 0.000 1.294 104 C CA -0.793 58.215 59.018 -0.017 0.000 2.134 104 C CB 0.160 27.938 27.740 0.064 0.000 2.724 104 C HN 0.813 nan 8.230 nan 0.000 0.677 105 K N 1.123 121.537 120.400 0.025 0.000 2.750 105 K HA 0.350 4.670 4.320 0.000 0.000 0.272 105 K C 1.136 177.758 176.600 0.036 0.000 0.975 105 K CA 0.414 56.720 56.287 0.031 0.000 1.410 105 K CB -0.773 31.738 32.500 0.017 0.000 3.286 105 K HN 0.594 nan 8.250 nan 0.000 1.039 106 S N -0.190 115.526 115.700 0.027 0.000 2.427 106 S HA 0.137 4.607 4.470 0.000 0.000 0.224 106 S C 0.224 174.836 174.600 0.020 0.000 1.047 106 S CA 0.041 58.256 58.200 0.024 0.000 0.953 106 S CB -0.156 63.056 63.200 0.021 0.000 0.824 106 S HN 0.430 nan 8.310 nan 0.000 0.502 107 K N 1.672 122.082 120.400 0.016 0.000 2.463 107 K HA 0.644 4.964 4.320 0.000 0.000 0.255 107 K C -1.021 175.585 176.600 0.010 0.000 0.942 107 K CA -0.166 56.128 56.287 0.012 0.000 0.814 107 K CB 1.786 34.291 32.500 0.010 0.000 1.122 107 K HN 0.272 nan 8.250 nan 0.000 0.425 108 S N 1.343 117.049 115.700 0.009 0.000 2.922 108 S HA -0.141 4.329 4.470 0.000 0.000 0.854 108 S C -1.208 173.397 174.600 0.008 0.000 0.921 108 S CA -0.680 57.524 58.200 0.006 0.000 1.418 108 S CB -0.551 62.652 63.200 0.004 0.000 1.015 108 S HN 0.894 nan 8.310 nan 0.000 0.230 109 C N 6.041 125.344 119.300 0.006 0.000 2.408 109 C HA 0.796 5.256 4.460 0.000 0.000 0.321 109 C C 0.301 175.290 174.990 -0.001 0.000 1.245 109 C CA -0.621 58.403 59.018 0.009 0.000 1.523 109 C CB 0.244 27.994 27.740 0.017 0.000 2.178 109 C HN 0.826 nan 8.230 nan 0.000 0.488 110 L N 6.094 127.304 121.223 -0.023 0.000 3.073 110 L HA 0.361 4.702 4.340 0.000 0.000 0.242 110 L C 1.798 178.647 176.870 -0.034 0.000 1.317 110 L CA 0.581 55.401 54.840 -0.035 0.000 1.081 110 L CB -0.046 41.972 42.059 -0.069 0.000 1.456 110 L HN 1.001 nan 8.230 nan 0.000 0.525 111 G N -0.290 108.517 108.800 0.012 0.000 2.422 111 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 111 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 111 G C 1.514 176.475 174.900 0.100 0.000 1.140 111 G CA 1.026 46.162 45.100 0.060 0.000 0.775 111 G HN 0.528 nan 8.290 nan 0.000 0.545 112 S N -0.051 115.703 115.700 0.090 0.000 2.593 112 S HA 0.269 4.740 4.470 0.000 0.000 0.217 112 S C 0.847 175.521 174.600 0.123 0.000 0.966 112 S CA -0.450 57.826 58.200 0.126 0.000 0.914 112 S CB 0.041 63.300 63.200 0.098 0.000 0.776 112 S HN 0.033 nan 8.310 nan 0.000 0.523 113 I N 2.676 123.295 120.570 0.082 0.000 2.598 113 I HA 0.137 4.307 4.170 0.000 0.000 0.284 113 I C 1.588 177.774 176.117 0.116 0.000 1.140 113 I CA 0.081 61.424 61.300 0.071 0.000 1.420 113 I CB -0.009 38.004 38.000 0.022 0.000 1.387 113 I HN 0.317 nan 8.210 nan 0.000 0.553 114 M N 4.775 124.457 119.600 0.137 0.000 2.123 114 M HA -0.077 4.403 4.480 0.000 0.000 0.263 114 M C 0.338 176.707 176.300 0.116 0.000 1.069 114 M CA 1.491 56.907 55.300 0.194 0.000 1.133 114 M CB -0.110 32.602 32.600 0.188 0.000 1.356 114 M HN 0.505 nan 8.290 nan 0.000 0.415 115 N N 1.277 120.000 118.700 0.039 0.000 2.990 115 N HA 0.307 5.047 4.740 0.000 0.000 0.288 115 N C -2.446 173.099 175.510 0.058 0.000 1.624 115 N CA -0.747 52.308 53.050 0.008 0.000 0.961 115 N CB 0.390 38.803 38.487 -0.124 0.000 1.259 115 N HN 0.249 nan 8.380 nan 0.000 0.489 116 P HA 0.178 nan 4.420 nan 0.000 0.274 116 P C 0.630 177.964 177.300 0.057 0.000 1.246 116 P CA -0.309 62.804 63.100 0.021 0.000 0.795 116 P CB 2.005 33.671 31.700 -0.057 0.000 1.006 117 K N 0.267 120.683 120.400 0.026 0.000 2.097 117 K HA -0.081 4.239 4.320 0.000 0.000 0.205 117 K C 2.101 178.747 176.600 0.076 0.000 1.050 117 K CA 1.816 58.131 56.287 0.048 0.000 0.938 117 K CB -0.399 32.114 32.500 0.021 0.000 0.718 117 K HN 0.537 nan 8.250 nan 0.000 0.442 118 S N 0.912 116.636 115.700 0.039 0.000 2.465 118 S HA -0.096 4.374 4.470 0.000 0.000 0.241 118 S C 1.539 176.252 174.600 0.189 0.000 1.000 118 S CA 0.903 59.153 58.200 0.084 0.000 0.964 118 S CB -0.261 62.936 63.200 -0.006 0.000 0.763 118 S HN 0.232 nan 8.310 nan 0.000 0.512 119 L N 0.870 122.214 121.223 0.201 0.000 2.808 119 L HA 0.297 4.637 4.340 0.000 0.000 0.246 119 L C -0.202 176.921 176.870 0.423 0.000 1.153 119 L CA -0.104 54.897 54.840 0.268 0.000 0.956 119 L CB 0.338 42.481 42.059 0.140 0.000 1.270 119 L HN 0.160 nan 8.230 nan 0.000 0.528 120 T N 0.055 114.828 114.554 0.365 0.000 2.807 120 T HA 0.431 4.782 4.350 0.000 0.000 0.279 120 T C -0.455 174.320 174.700 0.124 0.000 0.993 120 T CA -0.457 61.817 62.100 0.290 0.000 0.970 120 T CB 2.253 71.231 68.868 0.183 0.000 0.950 120 T HN -0.098 nan 8.240 nan 0.000 0.441 121 R N 2.082 122.607 120.500 0.042 0.000 2.310 121 R HA 0.597 4.937 4.340 0.000 0.000 0.316 121 R C 0.473 176.736 176.300 -0.062 0.000 1.004 121 R CA -0.482 55.518 56.100 -0.168 0.000 0.900 121 R CB 0.174 30.236 30.300 -0.397 0.000 1.152 121 R HN 0.828 nan 8.270 nan 0.000 0.513 122 G N 3.656 112.421 108.800 -0.058 0.000 2.588 122 G HA2 0.340 4.300 3.960 0.000 0.000 0.278 122 G HA3 0.340 4.300 3.960 0.000 0.000 0.278 122 G C -2.017 172.854 174.900 -0.048 0.000 1.307 122 G CA -0.891 44.182 45.100 -0.046 0.000 1.016 122 G HN 0.585 nan 8.290 nan 0.000 0.503 123 P HA 0.378 nan 4.420 nan 0.000 0.276 123 P C -0.560 176.725 177.300 -0.026 0.000 1.261 123 P CA -0.290 62.789 63.100 -0.035 0.000 0.800 123 P CB 1.455 33.130 31.700 -0.043 0.000 1.066 124 R N -0.519 119.972 120.500 -0.015 0.000 3.003 124 R HA 0.419 4.759 4.340 0.000 0.000 0.251 124 R C -0.455 175.847 176.300 0.002 0.000 1.265 124 R CA -0.487 55.609 56.100 -0.007 0.000 1.026 124 R CB 0.841 31.138 30.300 -0.004 0.000 1.307 124 R HN 0.469 nan 8.270 nan 0.000 0.475 125 D N -1.123 119.282 120.400 0.010 0.000 2.601 125 D HA 0.080 4.720 4.640 0.000 0.000 0.350 125 D C -0.690 175.625 176.300 0.025 0.000 1.386 125 D CA -0.251 53.760 54.000 0.018 0.000 0.929 125 D CB 0.541 41.346 40.800 0.008 0.000 1.456 125 D HN 0.080 nan 8.370 nan 0.000 0.430 126 K N 1.276 121.688 120.400 0.020 0.000 2.535 126 K HA 0.453 4.773 4.320 0.000 0.000 0.250 126 K C -2.939 173.672 176.600 0.018 0.000 0.948 126 K CA -1.494 54.805 56.287 0.020 0.000 0.796 126 K CB 2.178 34.687 32.500 0.015 0.000 1.216 126 K HN -0.119 nan 8.250 nan 0.000 0.432 127 P HA -0.059 nan 4.420 nan 0.000 0.268 127 P C -0.338 176.973 177.300 0.018 0.000 1.189 127 P CA 0.448 63.558 63.100 0.017 0.000 0.771 127 P CB 0.338 32.049 31.700 0.018 0.000 0.822 128 T N 4.471 119.037 114.554 0.020 0.000 2.934 128 T HA 0.095 4.445 4.350 0.000 0.000 0.306 128 T C -2.008 172.711 174.700 0.031 0.000 1.042 128 T CA -0.385 61.732 62.100 0.029 0.000 1.145 128 T CB -0.507 68.388 68.868 0.045 0.000 0.982 128 T HN 0.304 nan 8.240 nan 0.000 0.544 129 P HA 0.044 nan 4.420 nan 0.000 0.268 129 P C 1.108 178.415 177.300 0.013 0.000 1.204 129 P CA -0.488 62.622 63.100 0.016 0.000 0.768 129 P CB 0.449 32.154 31.700 0.010 0.000 0.842 130 L N 4.645 125.872 121.223 0.007 0.000 1.971 130 L HA -0.218 4.122 4.340 0.000 0.000 0.215 130 L C 1.960 178.817 176.870 -0.022 0.000 1.072 130 L CA 2.403 57.242 54.840 -0.002 0.000 0.758 130 L CB -1.343 40.713 42.059 -0.004 0.000 0.889 130 L HN 0.553 nan 8.230 nan 0.000 0.433 131 E N -0.878 119.306 120.200 -0.026 0.000 2.187 131 E HA -0.311 4.039 4.350 0.000 0.000 0.199 131 E C 1.899 178.453 176.600 -0.077 0.000 1.004 131 E CA 1.867 58.241 56.400 -0.043 0.000 0.813 131 E CB -0.356 29.326 29.700 -0.031 0.000 0.736 131 E HN 0.702 nan 8.360 nan 0.000 0.468 132 E N 0.181 120.343 120.200 -0.064 0.000 2.045 132 E HA -0.096 4.254 4.350 0.000 0.000 0.190 132 E C 2.054 178.571 176.600 -0.139 0.000 0.968 132 E CA 0.335 56.675 56.400 -0.101 0.000 0.813 132 E CB 0.001 29.700 29.700 -0.001 0.000 0.780 132 E HN 0.236 nan 8.360 nan 0.000 0.455 133 L N 1.437 122.662 121.223 0.002 0.000 1.970 133 L HA -0.166 4.174 4.340 0.000 0.000 0.212 133 L C 2.346 179.237 176.870 0.034 0.000 1.071 133 L CA 1.578 56.470 54.840 0.086 0.000 0.751 133 L CB -1.033 41.088 42.059 0.104 0.000 0.889 133 L HN 0.315 nan 8.230 nan 0.000 0.432 134 L N 0.330 121.538 121.223 -0.026 0.000 2.021 134 L HA -0.163 4.177 4.340 0.000 0.000 0.215 134 L C -0.462 176.375 176.870 -0.056 0.000 1.074 134 L CA 2.390 57.196 54.840 -0.057 0.000 0.760 134 L CB -2.082 39.942 42.059 -0.060 0.000 0.889 134 L HN 0.223 nan 8.230 nan 0.000 0.433 135 P HA -0.132 nan 4.420 nan 0.000 0.217 135 P C 1.275 178.574 177.300 -0.003 0.000 1.150 135 P CA 1.527 64.568 63.100 -0.099 0.000 0.832 135 P CB -0.199 31.385 31.700 -0.194 0.000 0.787 136 H N -0.456 118.659 119.070 0.076 0.000 2.326 136 H HA 0.041 4.597 4.556 0.000 0.000 0.301 136 H C 2.020 177.458 175.328 0.184 0.000 1.081 136 H CA 1.498 57.620 56.048 0.123 0.000 1.334 136 H CB -1.142 28.691 29.762 0.118 0.000 1.385 136 H HN 0.032 nan 8.280 nan 0.000 0.504 137 A N 1.209 124.193 122.820 0.273 0.000 1.883 137 A HA -0.152 4.168 4.320 0.000 0.000 0.217 137 A C 2.687 180.387 177.584 0.193 0.000 1.186 137 A CA 1.647 53.814 52.037 0.217 0.000 0.624 137 A CB -0.928 17.939 19.000 -0.222 0.000 0.822 137 A HN 0.324 nan 8.150 nan 0.000 0.444 138 I N -0.798 119.834 120.570 0.104 0.000 2.226 138 I HA -0.214 3.956 4.170 0.000 0.000 0.245 138 I C 2.637 178.853 176.117 0.165 0.000 1.100 138 I CA 1.468 62.828 61.300 0.100 0.000 1.374 138 I CB -0.321 37.707 38.000 0.046 0.000 1.057 138 I HN 0.373 nan 8.210 nan 0.000 0.413 139 E N 1.012 121.332 120.200 0.200 0.000 2.077 139 E HA -0.253 4.097 4.350 0.000 0.000 0.193 139 E C 2.114 178.882 176.600 0.281 0.000 0.989 139 E CA 1.498 58.029 56.400 0.219 0.000 0.800 139 E CB -0.195 29.646 29.700 0.235 0.000 0.746 139 E HN 0.406 nan 8.360 nan 0.000 0.452 140 F N 1.643 121.717 119.950 0.207 0.000 2.075 140 F HA -0.190 4.337 4.527 0.000 0.000 0.297 140 F C 2.161 178.112 175.800 0.252 0.000 1.113 140 F CA 0.995 59.139 58.000 0.240 0.000 1.218 140 F CB -0.491 38.664 39.000 0.258 0.000 0.984 140 F HN -0.047 nan 8.300 nan 0.000 0.472 141 I N 1.113 121.684 120.570 0.002 0.000 2.194 141 I HA -0.353 3.817 4.170 0.000 0.000 0.246 141 I C 2.086 178.249 176.117 0.077 0.000 1.093 141 I CA 1.441 62.739 61.300 -0.004 0.000 1.355 141 I CB -1.593 36.519 38.000 0.186 0.000 1.046 141 I HN 0.290 nan 8.210 nan 0.000 0.413 142 N N 0.434 119.210 118.700 0.127 0.000 2.244 142 N HA -0.197 4.543 4.740 0.000 0.000 0.183 142 N C 1.862 177.380 175.510 0.013 0.000 1.016 142 N CA 0.858 53.987 53.050 0.133 0.000 0.866 142 N CB -0.207 38.408 38.487 0.214 0.000 0.980 142 N HN 0.529 nan 8.380 nan 0.000 0.430 143 Q N -0.118 119.704 119.800 0.036 0.000 2.079 143 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 143 Q C 1.946 177.893 176.000 -0.087 0.000 0.974 143 Q CA 1.142 56.995 55.803 0.084 0.000 0.840 143 Q CB -0.090 28.808 28.738 0.267 0.000 0.898 143 Q HN 0.469 nan 8.270 nan 0.000 0.430 144 Y N -0.596 119.371 120.300 -0.555 0.000 2.114 144 Y HA -0.306 4.244 4.550 0.000 0.000 0.284 144 Y C 1.572 177.112 175.900 -0.600 0.000 1.143 144 Y CA 1.838 59.282 58.100 -1.094 0.000 1.135 144 Y CB -0.227 37.499 38.460 -1.223 0.000 0.980 144 Y HN 0.158 nan 8.280 nan 0.000 0.499 145 Y N -0.063 119.919 120.300 -0.531 0.000 2.439 145 Y HA -0.013 4.537 4.550 0.000 0.000 0.292 145 Y C 2.519 178.257 175.900 -0.270 0.000 1.130 145 Y CA 1.157 58.913 58.100 -0.572 0.000 1.254 145 Y CB -0.720 37.053 38.460 -1.145 0.000 1.000 145 Y HN 0.244 nan 8.280 nan 0.000 0.554 146 G N -1.350 107.388 108.800 -0.104 0.000 2.650 146 G HA2 -0.156 3.804 3.960 0.000 0.000 0.214 146 G HA3 -0.156 3.804 3.960 0.000 0.000 0.214 146 G C 1.631 176.546 174.900 0.024 0.000 1.136 146 G CA 0.893 45.992 45.100 -0.002 0.000 0.789 146 G HN 0.452 nan 8.290 nan 0.000 0.536 147 S N -0.146 115.530 115.700 -0.040 0.000 2.501 147 S HA 0.253 4.723 4.470 0.000 0.000 0.220 147 S C 0.561 175.102 174.600 -0.099 0.000 0.997 147 S CA -0.574 57.596 58.200 -0.050 0.000 0.919 147 S CB -0.246 62.929 63.200 -0.042 0.000 0.778 147 S HN 0.019 nan 8.310 nan 0.000 0.523 148 F N 3.064 122.866 119.950 -0.247 0.000 2.578 148 F HA 0.319 4.846 4.527 0.000 0.000 0.376 148 F C 1.580 177.324 175.800 -0.093 0.000 1.085 148 F CA -0.602 57.286 58.000 -0.187 0.000 1.260 148 F CB 0.587 39.457 39.000 -0.216 0.000 1.095 148 F HN 0.067 nan 8.300 nan 0.000 0.573 149 K N 1.088 121.534 120.400 0.077 0.000 2.365 149 K HA -0.052 4.268 4.320 0.000 0.000 0.199 149 K C -0.180 176.459 176.600 0.065 0.000 1.045 149 K CA 1.020 57.339 56.287 0.052 0.000 0.962 149 K CB 0.242 32.756 32.500 0.023 0.000 0.759 149 K HN 0.493 nan 8.250 nan 0.000 0.469 150 E N 1.090 121.352 120.200 0.103 0.000 2.255 150 E HA 0.208 4.558 4.350 0.000 0.000 0.245 150 E C -1.091 175.541 176.600 0.054 0.000 0.909 150 E CA -0.328 56.114 56.400 0.069 0.000 0.747 150 E CB 1.385 31.122 29.700 0.063 0.000 1.215 150 E HN 0.287 nan 8.360 nan 0.000 0.424 151 A N 3.113 125.946 122.820 0.021 0.000 2.583 151 A HA 0.016 4.336 4.320 0.000 0.000 0.231 151 A C 0.256 177.785 177.584 -0.092 0.000 1.065 151 A CA 0.525 52.542 52.037 -0.033 0.000 0.760 151 A CB 0.229 19.224 19.000 -0.009 0.000 1.001 151 A HN 0.467 nan 8.150 nan 0.000 0.509 152 K N 2.563 122.863 120.400 -0.167 0.000 3.029 152 K HA 0.222 4.542 4.320 0.000 0.000 0.169 152 K C 0.441 176.952 176.600 -0.148 0.000 1.090 152 K CA -0.574 55.612 56.287 -0.169 0.000 0.883 152 K CB 0.585 32.927 32.500 -0.263 0.000 1.080 152 K HN 0.579 nan 8.250 nan 0.000 0.613 153 I N 0.915 121.426 120.570 -0.097 0.000 2.145 153 I HA -0.344 3.826 4.170 0.000 0.000 0.244 153 I C 1.805 177.827 176.117 -0.160 0.000 1.075 153 I CA 1.863 63.100 61.300 -0.105 0.000 1.332 153 I CB -0.693 37.251 38.000 -0.095 0.000 1.033 153 I HN 0.535 nan 8.210 nan 0.000 0.410 154 E N 0.731 120.851 120.200 -0.132 0.000 2.051 154 E HA -0.229 4.121 4.350 0.000 0.000 0.192 154 E C 2.136 178.643 176.600 -0.155 0.000 0.991 154 E CA 1.393 57.717 56.400 -0.127 0.000 0.799 154 E CB -0.165 29.483 29.700 -0.086 0.000 0.748 154 E HN 0.587 nan 8.360 nan 0.000 0.449 155 E N -0.279 119.823 120.200 -0.163 0.000 2.106 155 E HA -0.189 4.161 4.350 0.000 0.000 0.192 155 E C 2.023 178.362 176.600 -0.435 0.000 0.984 155 E CA 0.702 57.003 56.400 -0.165 0.000 0.806 155 E CB -0.150 29.527 29.700 -0.037 0.000 0.750 155 E HN 0.405 nan 8.360 nan 0.000 0.458 156 H N 0.923 119.462 119.070 -0.885 0.000 2.267 156 H HA -0.134 4.423 4.556 0.000 0.000 0.297 156 H C 2.208 177.139 175.328 -0.662 0.000 1.080 156 H CA 1.397 56.612 56.048 -1.388 0.000 1.278 156 H CB 0.046 29.278 29.762 -0.883 0.000 1.365 156 H HN 0.054 nan 8.280 nan 0.000 0.489 157 L N 0.342 121.343 121.223 -0.369 0.000 2.017 157 L HA -0.167 4.173 4.340 0.000 0.000 0.208 157 L C 3.128 179.890 176.870 -0.180 0.000 1.073 157 L CA 0.906 55.571 54.840 -0.292 0.000 0.745 157 L CB -0.786 41.127 42.059 -0.243 0.000 0.894 157 L HN 0.402 nan 8.230 nan 0.000 0.432 158 A N 0.494 123.219 122.820 -0.158 0.000 1.892 158 A HA -0.299 4.021 4.320 0.000 0.000 0.218 158 A C 2.400 179.950 177.584 -0.057 0.000 1.188 158 A CA 2.308 54.290 52.037 -0.091 0.000 0.631 158 A CB -0.586 18.372 19.000 -0.070 0.000 0.822 158 A HN 0.306 nan 8.150 nan 0.000 0.447 159 R N -0.101 120.359 120.500 -0.067 0.000 2.081 159 R HA 0.004 4.344 4.340 0.000 0.000 0.235 159 R C 1.954 178.272 176.300 0.030 0.000 1.131 159 R CA 1.627 57.748 56.100 0.036 0.000 0.960 159 R CB -0.987 29.407 30.300 0.156 0.000 0.856 159 R HN 0.535 nan 8.270 nan 0.000 0.436 160 L N 0.222 121.435 121.223 -0.016 0.000 2.042 160 L HA -0.206 4.135 4.340 0.000 0.000 0.210 160 L C 2.556 179.406 176.870 -0.034 0.000 1.076 160 L CA 2.091 56.924 54.840 -0.012 0.000 0.749 160 L CB -0.518 41.506 42.059 -0.059 0.000 0.893 160 L HN 0.405 nan 8.230 nan 0.000 0.432 161 E N -0.058 120.114 120.200 -0.047 0.000 2.031 161 E HA -0.257 4.094 4.350 0.000 0.000 0.193 161 E C 2.214 178.800 176.600 -0.023 0.000 0.994 161 E CA 1.222 57.597 56.400 -0.041 0.000 0.800 161 E CB -0.059 29.615 29.700 -0.045 0.000 0.752 161 E HN 0.446 nan 8.360 nan 0.000 0.447 162 A N 0.624 123.441 122.820 -0.005 0.000 1.859 162 A HA -0.218 4.102 4.320 0.000 0.000 0.217 162 A C 2.467 180.059 177.584 0.013 0.000 1.198 162 A CA 2.007 54.053 52.037 0.016 0.000 0.629 162 A CB -1.117 17.908 19.000 0.041 0.000 0.830 162 A HN 0.248 nan 8.150 nan 0.000 0.446 163 V N -0.155 119.764 119.914 0.008 0.000 2.282 163 V HA -0.295 3.825 4.120 0.000 0.000 0.249 163 V C 2.753 178.772 176.094 -0.126 0.000 1.057 163 V CA 2.626 64.886 62.300 -0.065 0.000 1.032 163 V CB -1.454 30.288 31.823 -0.135 0.000 0.645 163 V HN 0.664 nan 8.190 nan 0.000 0.447 164 T N -0.734 113.766 114.554 -0.090 0.000 2.652 164 T HA -0.277 4.073 4.350 0.000 0.000 0.267 164 T C 1.995 176.665 174.700 -0.051 0.000 1.039 164 T CA 1.952 64.004 62.100 -0.079 0.000 1.153 164 T CB -0.240 68.594 68.868 -0.057 0.000 0.863 164 T HN 0.410 nan 8.240 nan 0.000 0.428 165 K N 0.543 120.926 120.400 -0.029 0.000 2.057 165 K HA -0.119 4.201 4.320 0.000 0.000 0.207 165 K C 2.476 179.076 176.600 0.000 0.000 1.049 165 K CA 1.361 57.640 56.287 -0.013 0.000 0.931 165 K CB -0.101 32.396 32.500 -0.005 0.000 0.714 165 K HN 0.401 nan 8.250 nan 0.000 0.440 166 E N 0.668 120.875 120.200 0.011 0.000 2.038 166 E HA -0.216 4.134 4.350 0.000 0.000 0.195 166 E C 1.993 178.617 176.600 0.041 0.000 1.000 166 E CA 1.366 57.791 56.400 0.042 0.000 0.803 166 E CB -0.046 29.706 29.700 0.086 0.000 0.750 166 E HN 0.263 nan 8.360 nan 0.000 0.448 167 I N 0.978 121.553 120.570 0.008 0.000 2.127 167 I HA -0.300 3.871 4.170 0.000 0.000 0.241 167 I C 2.305 178.427 176.117 0.009 0.000 1.075 167 I CA 1.576 62.881 61.300 0.009 0.000 1.334 167 I CB -0.364 37.594 38.000 -0.069 0.000 1.040 167 I HN 0.173 nan 8.210 nan 0.000 0.405 168 E N 0.090 120.286 120.200 -0.008 0.000 2.209 168 E HA -0.212 4.138 4.350 0.000 0.000 0.196 168 E C 2.049 178.652 176.600 0.005 0.000 0.993 168 E CA 1.956 58.353 56.400 -0.005 0.000 0.819 168 E CB -0.124 29.569 29.700 -0.013 0.000 0.745 168 E HN 0.663 nan 8.360 nan 0.000 0.477 169 T N -2.171 112.390 114.554 0.011 0.000 3.010 169 T HA -0.045 4.306 4.350 0.000 0.000 0.252 169 T C 2.140 176.853 174.700 0.021 0.000 1.047 169 T CA 1.149 63.258 62.100 0.015 0.000 1.140 169 T CB -0.153 68.724 68.868 0.015 0.000 0.885 169 T HN 0.187 nan 8.240 nan 0.000 0.464 170 T N -2.274 112.299 114.554 0.031 0.000 3.015 170 T HA 0.503 4.854 4.350 0.000 0.000 0.250 170 T C 1.954 176.676 174.700 0.038 0.000 1.057 170 T CA 0.714 62.835 62.100 0.036 0.000 1.066 170 T CB -0.098 68.799 68.868 0.048 0.000 0.959 170 T HN 0.903 nan 8.240 nan 0.000 0.488 171 G N 0.201 109.027 108.800 0.042 0.000 2.175 171 G HA2 -0.150 3.810 3.960 0.000 0.000 0.244 171 G HA3 -0.150 3.810 3.960 0.000 0.000 0.244 171 G C 0.201 175.144 174.900 0.072 0.000 0.982 171 G CA 0.529 45.655 45.100 0.043 0.000 0.641 171 G HN 1.034 nan 8.290 nan 0.000 0.527 172 T N -1.508 113.111 114.554 0.107 0.000 2.653 172 T HA 0.692 5.042 4.350 0.000 0.000 0.306 172 T C -1.539 173.340 174.700 0.297 0.000 1.426 172 T CA 0.590 62.802 62.100 0.187 0.000 1.008 172 T CB 1.247 70.171 68.868 0.092 0.000 1.692 172 T HN 1.733 nan 8.240 nan 0.000 0.483 173 Y N -0.646 119.667 120.300 0.022 0.000 2.725 173 Y HA 0.809 5.359 4.550 0.000 0.000 0.333 173 Y C -1.720 174.206 175.900 0.044 0.000 1.242 173 Y CA -1.202 56.922 58.100 0.039 0.000 1.059 173 Y CB 0.655 39.152 38.460 0.062 0.000 1.306 173 Y HN 0.484 nan 8.280 nan 0.000 0.454 174 Q N 1.785 121.606 119.800 0.035 0.000 2.342 174 Q HA 0.565 4.905 4.340 0.000 0.000 0.267 174 Q C -1.031 174.959 176.000 -0.015 0.000 1.038 174 Q CA -0.819 54.946 55.803 -0.062 0.000 0.832 174 Q CB 3.050 31.804 28.738 0.027 0.000 1.323 174 Q HN 0.839 nan 8.270 nan 0.000 0.448 175 L N 1.203 122.402 121.223 -0.039 0.000 2.379 175 L HA 0.413 4.753 4.340 0.000 0.000 0.269 175 L C 1.065 177.962 176.870 0.045 0.000 1.084 175 L CA -0.569 54.302 54.840 0.051 0.000 0.802 175 L CB 1.098 43.195 42.059 0.064 0.000 1.175 175 L HN 0.709 nan 8.230 nan 0.000 0.448 176 T N -1.366 113.207 114.554 0.032 0.000 2.754 176 T HA 0.132 4.482 4.350 0.000 0.000 0.286 176 T C 0.871 175.559 174.700 -0.019 0.000 0.997 176 T CA -0.664 61.441 62.100 0.009 0.000 0.982 176 T CB 0.962 69.831 68.868 0.002 0.000 1.027 176 T HN 0.445 nan 8.240 nan 0.000 0.529 177 L N 0.384 121.597 121.223 -0.017 0.000 2.046 177 L HA 0.025 4.366 4.340 0.000 0.000 0.208 177 L C 2.068 178.916 176.870 -0.036 0.000 1.077 177 L CA 1.879 56.700 54.840 -0.033 0.000 0.747 177 L CB -1.290 40.752 42.059 -0.028 0.000 0.896 177 L HN 0.734 nan 8.230 nan 0.000 0.432 178 D N -0.253 120.132 120.400 -0.025 0.000 2.123 178 D HA -0.191 4.449 4.640 0.000 0.000 0.196 178 D C 2.102 178.361 176.300 -0.068 0.000 0.992 178 D CA 1.403 55.402 54.000 -0.002 0.000 0.833 178 D CB 0.114 40.958 40.800 0.074 0.000 0.954 178 D HN 0.531 nan 8.370 nan 0.000 0.455 179 E N -0.155 119.876 120.200 -0.281 0.000 2.072 179 E HA -0.152 4.198 4.350 0.000 0.000 0.191 179 E C 2.048 178.725 176.600 0.130 0.000 0.985 179 E CA 0.272 56.457 56.400 -0.357 0.000 0.801 179 E CB -0.059 29.433 29.700 -0.346 0.000 0.750 179 E HN 0.116 nan 8.360 nan 0.000 0.452 180 L N 1.371 122.613 121.223 0.030 0.000 1.989 180 L HA -0.202 4.138 4.340 0.000 0.000 0.211 180 L C 2.079 178.942 176.870 -0.012 0.000 1.071 180 L CA 1.644 56.465 54.840 -0.033 0.000 0.749 180 L CB -0.394 41.592 42.059 -0.122 0.000 0.890 180 L HN 0.136 nan 8.230 nan 0.000 0.431 181 I N -1.217 119.355 120.570 0.003 0.000 2.151 181 I HA -0.371 3.799 4.170 0.000 0.000 0.243 181 I C 2.427 178.603 176.117 0.099 0.000 1.080 181 I CA 2.017 63.323 61.300 0.010 0.000 1.339 181 I CB -0.530 37.471 38.000 0.002 0.000 1.039 181 I HN 0.354 nan 8.210 nan 0.000 0.409 182 F N 1.717 121.697 119.950 0.049 0.000 2.126 182 F HA -0.249 4.278 4.527 0.000 0.000 0.299 182 F C 2.468 178.369 175.800 0.168 0.000 1.096 182 F CA 1.542 59.626 58.000 0.140 0.000 1.255 182 F CB -0.288 38.854 39.000 0.237 0.000 0.997 182 F HN 0.006 nan 8.300 nan 0.000 0.479 183 A N 0.086 123.053 122.820 0.245 0.000 1.902 183 A HA -0.221 4.099 4.320 0.000 0.000 0.217 183 A C 2.282 179.773 177.584 -0.155 0.000 1.181 183 A CA 2.586 54.626 52.037 0.005 0.000 0.623 183 A CB -1.685 17.246 19.000 -0.115 0.000 0.818 183 A HN 0.562 nan 8.150 nan 0.000 0.443 184 T N -1.556 112.936 114.554 -0.103 0.000 2.788 184 T HA -0.154 4.196 4.350 0.000 0.000 0.268 184 T C 1.784 176.510 174.700 0.043 0.000 1.044 184 T CA 1.645 63.712 62.100 -0.055 0.000 1.139 184 T CB -0.357 68.498 68.868 -0.023 0.000 0.867 184 T HN 0.562 nan 8.240 nan 0.000 0.454 185 K N 0.238 120.669 120.400 0.052 0.000 2.062 185 K HA 0.108 4.428 4.320 0.000 0.000 0.205 185 K C 2.519 179.200 176.600 0.135 0.000 1.051 185 K CA 1.050 57.456 56.287 0.198 0.000 0.941 185 K CB -0.234 32.360 32.500 0.156 0.000 0.719 185 K HN 0.252 nan 8.250 nan 0.000 0.440 186 M N 0.782 120.288 119.600 -0.157 0.000 2.117 186 M HA -0.082 4.398 4.480 0.000 0.000 0.262 186 M C 2.469 178.626 176.300 -0.238 0.000 1.065 186 M CA 1.402 56.519 55.300 -0.305 0.000 1.114 186 M CB -1.104 31.214 32.600 -0.470 0.000 1.361 186 M HN 0.164 nan 8.290 nan 0.000 0.408 187 A N -0.579 122.073 122.820 -0.281 0.000 1.908 187 A HA -0.226 4.094 4.320 0.000 0.000 0.218 187 A C 2.018 179.445 177.584 -0.261 0.000 1.181 187 A CA 1.680 53.412 52.037 -0.507 0.000 0.627 187 A CB -1.176 17.132 19.000 -1.153 0.000 0.818 187 A HN 0.689 nan 8.150 nan 0.000 0.445 188 W N 0.838 122.041 121.300 -0.161 0.000 2.379 188 W HA -0.097 4.564 4.660 0.000 0.000 0.307 188 W C 2.296 178.737 176.519 -0.130 0.000 1.200 188 W CA 1.439 58.755 57.345 -0.047 0.000 1.297 188 W CB -0.729 28.715 29.460 -0.026 0.000 1.140 188 W HN 0.361 nan 8.180 nan 0.000 0.507 189 R N 0.417 120.850 120.500 -0.112 0.000 2.127 189 R HA -0.174 4.166 4.340 0.000 0.000 0.238 189 R C 1.065 177.199 176.300 -0.276 0.000 1.134 189 R CA 1.733 57.580 56.100 -0.421 0.000 0.975 189 R CB -0.517 29.288 30.300 -0.825 0.000 0.865 189 R HN 0.085 nan 8.270 nan 0.000 0.447 190 N N 0.076 118.657 118.700 -0.199 0.000 2.268 190 N HA 0.066 4.806 4.740 0.000 0.000 0.204 190 N C -0.833 174.595 175.510 -0.136 0.000 1.124 190 N CA 0.345 53.315 53.050 -0.133 0.000 0.838 190 N CB 1.196 39.656 38.487 -0.045 0.000 0.994 190 N HN 0.139 nan 8.380 nan 0.000 0.489 191 A N 1.720 124.444 122.820 -0.161 0.000 2.437 191 A HA 0.355 4.675 4.320 0.000 0.000 0.303 191 A C -1.326 176.183 177.584 -0.127 0.000 1.324 191 A CA -1.138 50.756 52.037 -0.239 0.000 0.983 191 A CB 0.501 19.426 19.000 -0.126 0.000 1.142 191 A HN -0.045 nan 8.150 nan 0.000 0.541 192 P HA -0.133 nan 4.420 nan 0.000 0.221 192 P C 0.978 178.231 177.300 -0.078 0.000 1.145 192 P CA 1.175 64.230 63.100 -0.076 0.000 0.795 192 P CB 0.164 31.833 31.700 -0.052 0.000 0.775 193 R N -2.300 118.119 120.500 -0.136 0.000 2.362 193 R HA 0.183 4.523 4.340 0.000 0.000 0.227 193 R C 0.170 176.491 176.300 0.034 0.000 0.905 193 R CA -0.202 55.852 56.100 -0.077 0.000 1.067 193 R CB -0.228 29.826 30.300 -0.409 0.000 1.078 193 R HN 0.179 nan 8.270 nan 0.000 0.516 194 C N 0.665 119.952 119.300 -0.022 0.000 2.307 194 C HA 0.346 4.806 4.460 0.000 0.000 0.340 194 C C 1.667 176.613 174.990 -0.074 0.000 1.275 194 C CA -0.728 58.302 59.018 0.020 0.000 1.811 194 C CB -0.276 27.532 27.740 0.114 0.000 2.372 194 C HN 0.567 nan 8.230 nan 0.000 0.531 195 I N 4.066 124.577 120.570 -0.098 0.000 3.728 195 I HA 0.228 4.398 4.170 0.000 0.000 0.307 195 I C 1.746 177.906 176.117 0.071 0.000 1.276 195 I CA 0.822 62.005 61.300 -0.195 0.000 1.285 195 I CB 0.113 38.006 38.000 -0.178 0.000 1.038 195 I HN 0.908 nan 8.210 nan 0.000 0.445 196 G N 0.079 108.931 108.800 0.086 0.000 3.523 196 G HA2 0.069 4.029 3.960 0.000 0.000 0.270 196 G HA3 0.069 4.029 3.960 0.000 0.000 0.270 196 G C 1.188 176.127 174.900 0.065 0.000 1.134 196 G CA -0.375 44.779 45.100 0.090 0.000 0.825 196 G HN 0.216 nan 8.290 nan 0.000 0.534 197 R N -0.176 120.308 120.500 -0.027 0.000 2.341 197 R HA 0.077 4.417 4.340 0.000 0.000 0.213 197 R C 1.961 177.796 176.300 -0.776 0.000 1.082 197 R CA 0.236 56.052 56.100 -0.473 0.000 1.017 197 R CB -0.153 29.872 30.300 -0.459 0.000 0.860 197 R HN 0.472 nan 8.270 nan 0.000 0.473 198 I N 0.722 121.001 120.570 -0.484 0.000 2.916 198 I HA -0.223 3.947 4.170 0.000 0.000 0.267 198 I C 1.284 177.297 176.117 -0.174 0.000 1.263 198 I CA 1.155 62.333 61.300 -0.203 0.000 1.471 198 I CB 0.173 38.189 38.000 0.027 0.000 1.089 198 I HN 0.180 nan 8.210 nan 0.000 0.468 199 Q N 0.463 120.073 119.800 -0.317 0.000 2.360 199 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 199 Q C 1.602 177.031 176.000 -0.950 0.000 0.915 199 Q CA 0.286 55.869 55.803 -0.366 0.000 0.943 199 Q CB -0.164 28.551 28.738 -0.038 0.000 1.064 199 Q HN 0.779 nan 8.270 nan 0.000 0.511 200 W N 1.335 121.728 121.300 -1.511 0.000 2.279 200 W HA -0.264 4.396 4.660 0.000 0.000 0.298 200 W C 1.141 177.213 176.519 -0.745 0.000 1.228 200 W CA 1.670 57.905 57.345 -1.850 0.000 1.230 200 W CB -1.340 27.409 29.460 -1.184 0.000 1.138 200 W HN 0.173 nan 8.180 nan 0.000 0.532 201 S N -0.070 114.801 115.700 -1.381 0.000 2.575 201 S HA 0.023 4.493 4.470 0.000 0.000 0.215 201 S C 0.590 174.925 174.600 -0.441 0.000 0.966 201 S CA 0.163 57.749 58.200 -1.023 0.000 0.911 201 S CB -0.570 61.755 63.200 -1.458 0.000 0.780 201 S HN 0.165 nan 8.310 nan 0.000 0.514 202 N N 1.561 120.090 118.700 -0.285 0.000 3.083 202 N HA 0.441 5.181 4.740 0.000 0.000 0.260 202 N C -1.331 174.262 175.510 0.139 0.000 1.163 202 N CA -0.465 52.551 53.050 -0.056 0.000 1.060 202 N CB 0.132 38.611 38.487 -0.013 0.000 1.345 202 N HN 0.413 nan 8.380 nan 0.000 0.515 203 L N 1.657 122.930 121.223 0.083 0.000 2.438 203 L HA 0.472 4.812 4.340 0.000 0.000 0.270 203 L C -0.858 175.972 176.870 -0.067 0.000 0.972 203 L CA -0.702 54.189 54.840 0.084 0.000 0.831 203 L CB 1.903 44.069 42.059 0.178 0.000 1.273 203 L HN 0.251 nan 8.230 nan 0.000 0.405 204 Q N 3.081 122.801 119.800 -0.134 0.000 2.286 204 Q HA 0.585 4.925 4.340 0.000 0.000 0.257 204 Q C -1.630 174.030 176.000 -0.567 0.000 0.941 204 Q CA -0.105 55.462 55.803 -0.393 0.000 0.912 204 Q CB 1.390 29.828 28.738 -0.501 0.000 1.192 204 Q HN 0.511 nan 8.270 nan 0.000 0.410 205 V N 5.635 125.179 119.914 -0.617 0.000 2.417 205 V HA 0.475 4.595 4.120 0.000 0.000 0.291 205 V C -0.871 174.809 176.094 -0.690 0.000 1.024 205 V CA -0.621 61.366 62.300 -0.522 0.000 0.861 205 V CB 0.913 32.563 31.823 -0.289 0.000 0.985 205 V HN 0.659 nan 8.190 nan 0.000 0.436 206 F N 2.436 122.222 119.950 -0.274 0.000 2.388 206 F HA 0.400 4.927 4.527 0.000 0.000 0.358 206 F C 0.351 175.966 175.800 -0.308 0.000 1.122 206 F CA -1.036 56.799 58.000 -0.276 0.000 1.056 206 F CB 1.259 40.093 39.000 -0.277 0.000 1.155 206 F HN 0.436 nan 8.300 nan 0.000 0.461 207 D N 3.299 123.638 120.400 -0.102 0.000 2.393 207 D HA 0.383 5.023 4.640 0.000 0.000 0.232 207 D C 0.122 176.270 176.300 -0.253 0.000 1.192 207 D CA 0.109 54.000 54.000 -0.181 0.000 0.882 207 D CB 1.023 41.751 40.800 -0.121 0.000 1.038 207 D HN 0.600 nan 8.370 nan 0.000 0.499 208 A N 4.556 127.095 122.820 -0.469 0.000 2.713 208 A HA 0.169 4.489 4.320 0.000 0.000 0.296 208 A C 1.594 178.949 177.584 -0.383 0.000 1.255 208 A CA -0.418 51.212 52.037 -0.678 0.000 0.955 208 A CB -0.004 18.123 19.000 -1.456 0.000 1.149 208 A HN 0.526 nan 8.150 nan 0.000 0.538 209 R N 0.962 121.330 120.500 -0.220 0.000 2.285 209 R HA -0.085 4.255 4.340 0.000 0.000 0.213 209 R C 1.301 177.558 176.300 -0.073 0.000 1.068 209 R CA 1.180 57.218 56.100 -0.104 0.000 1.004 209 R CB 0.003 30.291 30.300 -0.020 0.000 0.873 209 R HN 0.768 nan 8.270 nan 0.000 0.467 210 N N -0.016 118.648 118.700 -0.061 0.000 2.353 210 N HA -0.066 4.674 4.740 0.000 0.000 0.185 210 N C 0.565 176.099 175.510 0.041 0.000 1.098 210 N CA -0.085 52.967 53.050 0.004 0.000 0.872 210 N CB -0.250 38.254 38.487 0.027 0.000 0.970 210 N HN 0.011 nan 8.380 nan 0.000 0.467 211 C N 1.916 121.222 119.300 0.011 0.000 2.679 211 C HA 0.269 4.729 4.460 0.000 0.000 0.417 211 C C 1.857 176.936 174.990 0.149 0.000 1.302 211 C CA 0.668 59.756 59.018 0.116 0.000 1.973 211 C CB 0.058 27.896 27.740 0.164 0.000 2.715 211 C HN 0.640 nan 8.230 nan 0.000 0.628 212 S N 1.342 117.210 115.700 0.280 0.000 2.661 212 S HA 0.215 4.685 4.470 0.000 0.000 0.275 212 S C 0.108 174.916 174.600 0.346 0.000 1.075 212 S CA 0.442 58.865 58.200 0.373 0.000 1.251 212 S CB -0.126 63.211 63.200 0.229 0.000 1.167 212 S HN 1.110 nan 8.310 nan 0.000 0.648 213 T N -1.575 113.155 114.554 0.293 0.000 2.906 213 T HA 0.844 5.194 4.350 0.000 0.000 0.295 213 T C 1.228 176.043 174.700 0.192 0.000 1.075 213 T CA -0.185 62.037 62.100 0.204 0.000 1.005 213 T CB 1.401 70.361 68.868 0.154 0.000 1.136 213 T HN 0.296 nan 8.240 nan 0.000 0.498 214 A N 0.866 123.768 122.820 0.137 0.000 1.883 214 A HA -0.126 4.194 4.320 0.000 0.000 0.217 214 A C 2.276 179.876 177.584 0.027 0.000 1.186 214 A CA 2.289 54.391 52.037 0.108 0.000 0.624 214 A CB -1.282 17.857 19.000 0.230 0.000 0.822 214 A HN 0.919 nan 8.150 nan 0.000 0.444 215 Q N 0.204 120.099 119.800 0.159 0.000 2.181 215 Q HA -0.192 4.148 4.340 0.000 0.000 0.205 215 Q C 1.690 177.744 176.000 0.090 0.000 0.980 215 Q CA 2.314 58.200 55.803 0.139 0.000 0.862 215 Q CB -0.398 28.468 28.738 0.214 0.000 0.905 215 Q HN 0.774 nan 8.270 nan 0.000 0.429 216 E N -0.797 119.475 120.200 0.120 0.000 2.112 216 E HA -0.090 4.260 4.350 0.000 0.000 0.190 216 E C 1.999 178.738 176.600 0.232 0.000 0.979 216 E CA 1.048 57.536 56.400 0.146 0.000 0.814 216 E CB -0.090 29.742 29.700 0.219 0.000 0.762 216 E HN 0.451 nan 8.360 nan 0.000 0.460 217 M N 0.183 119.906 119.600 0.206 0.000 2.067 217 M HA -0.153 4.327 4.480 0.000 0.000 0.260 217 M C 2.229 178.593 176.300 0.107 0.000 1.069 217 M CA 1.347 56.762 55.300 0.192 0.000 1.117 217 M CB -0.370 32.122 32.600 -0.180 0.000 1.334 217 M HN 0.111 nan 8.290 nan 0.000 0.407 218 F N 1.474 121.236 119.950 -0.314 0.000 2.115 218 F HA -0.313 4.214 4.527 0.000 0.000 0.300 218 F C 2.275 177.957 175.800 -0.197 0.000 1.092 218 F CA 1.958 59.691 58.000 -0.445 0.000 1.245 218 F CB -0.468 37.905 39.000 -1.044 0.000 0.995 218 F HN 0.204 nan 8.300 nan 0.000 0.481 219 Q N -1.315 118.325 119.800 -0.268 0.000 2.123 219 Q HA -0.187 4.153 4.340 0.000 0.000 0.199 219 Q C 2.189 177.996 176.000 -0.321 0.000 0.966 219 Q CA 1.409 57.000 55.803 -0.353 0.000 0.845 219 Q CB -0.401 28.193 28.738 -0.240 0.000 0.907 219 Q HN 0.539 nan 8.270 nan 0.000 0.439 220 H N 0.244 119.256 119.070 -0.097 0.000 2.389 220 H HA -0.034 4.522 4.556 0.000 0.000 0.299 220 H C 2.101 177.360 175.328 -0.116 0.000 1.081 220 H CA 1.101 57.087 56.048 -0.102 0.000 1.345 220 H CB 0.092 29.864 29.762 0.017 0.000 1.393 220 H HN 0.249 nan 8.280 nan 0.000 0.520 221 I N -0.167 120.445 120.570 0.071 0.000 2.315 221 I HA -0.264 3.906 4.170 0.000 0.000 0.248 221 I C 2.608 178.644 176.117 -0.136 0.000 1.117 221 I CA 0.613 61.910 61.300 -0.004 0.000 1.404 221 I CB -0.217 37.781 38.000 -0.003 0.000 1.071 221 I HN 0.208 nan 8.210 nan 0.000 0.419 222 C N 0.319 119.435 119.300 -0.307 0.000 2.429 222 C HA -0.125 4.335 4.460 0.000 0.000 0.277 222 C C 2.967 177.842 174.990 -0.190 0.000 1.262 222 C CA 0.538 59.368 59.018 -0.313 0.000 1.733 222 C CB -1.050 26.389 27.740 -0.500 0.000 2.010 222 C HN 0.450 nan 8.230 nan 0.000 0.483 223 R N 0.447 120.811 120.500 -0.226 0.000 2.083 223 R HA -0.168 4.172 4.340 0.000 0.000 0.237 223 R C 2.025 178.194 176.300 -0.219 0.000 1.137 223 R CA 2.132 58.081 56.100 -0.252 0.000 0.951 223 R CB -1.159 28.912 30.300 -0.381 0.000 0.851 223 R HN 0.781 nan 8.270 nan 0.000 0.434 224 H N -0.203 118.669 119.070 -0.331 0.000 2.267 224 H HA -0.078 4.478 4.556 0.000 0.000 0.297 224 H C 2.329 177.673 175.328 0.027 0.000 1.080 224 H CA 2.356 58.305 56.048 -0.165 0.000 1.278 224 H CB -0.142 29.573 29.762 -0.077 0.000 1.365 224 H HN 0.160 nan 8.280 nan 0.000 0.489 225 I N 0.023 120.707 120.570 0.190 0.000 2.151 225 I HA -0.287 3.883 4.170 0.000 0.000 0.243 225 I C 2.479 178.657 176.117 0.102 0.000 1.080 225 I CA 1.011 62.380 61.300 0.114 0.000 1.339 225 I CB -0.270 37.727 38.000 -0.004 0.000 1.039 225 I HN 0.341 nan 8.210 nan 0.000 0.409 226 L N 0.346 121.602 121.223 0.054 0.000 1.989 226 L HA -0.283 4.057 4.340 0.000 0.000 0.211 226 L C 2.516 179.431 176.870 0.076 0.000 1.071 226 L CA 1.975 56.838 54.840 0.040 0.000 0.749 226 L CB -1.097 40.964 42.059 0.005 0.000 0.890 226 L HN 0.273 nan 8.230 nan 0.000 0.431 227 Y N 0.194 120.507 120.300 0.021 0.000 2.128 227 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 227 Y C 2.340 178.305 175.900 0.108 0.000 1.154 227 Y CA 2.223 60.369 58.100 0.077 0.000 1.149 227 Y CB -0.603 37.950 38.460 0.156 0.000 0.976 227 Y HN 0.256 nan 8.280 nan 0.000 0.505 228 A N -0.851 122.063 122.820 0.157 0.000 1.930 228 A HA -0.134 4.186 4.320 0.000 0.000 0.217 228 A C 2.212 179.813 177.584 0.029 0.000 1.175 228 A CA 2.071 54.173 52.037 0.109 0.000 0.627 228 A CB -1.269 17.934 19.000 0.337 0.000 0.815 228 A HN 0.512 nan 8.150 nan 0.000 0.443 229 T N -0.026 114.557 114.554 0.047 0.000 2.777 229 T HA -0.126 4.224 4.350 0.000 0.000 0.266 229 T C 1.141 175.832 174.700 -0.015 0.000 1.040 229 T CA 1.283 63.407 62.100 0.039 0.000 1.141 229 T CB -0.454 68.439 68.868 0.042 0.000 0.868 229 T HN 0.665 nan 8.240 nan 0.000 0.444 230 N N 1.488 120.148 118.700 -0.067 0.000 2.701 230 N HA -0.276 4.464 4.740 0.000 0.000 0.252 230 N C 0.031 175.509 175.510 -0.054 0.000 1.002 230 N CA 0.987 53.979 53.050 -0.096 0.000 0.758 230 N CB -1.838 36.545 38.487 -0.173 0.000 0.937 230 N HN 0.447 nan 8.380 nan 0.000 0.538 231 N N -1.775 116.907 118.700 -0.030 0.000 2.741 231 N HA -0.202 4.538 4.740 0.000 0.000 0.250 231 N C 0.957 176.451 175.510 -0.026 0.000 1.115 231 N CA 2.439 55.475 53.050 -0.025 0.000 0.724 231 N CB -1.228 37.242 38.487 -0.028 0.000 1.090 231 N HN 1.243 nan 8.380 nan 0.000 0.558 232 G N -0.964 107.827 108.800 -0.015 0.000 2.284 232 G HA2 -0.313 3.647 3.960 0.000 0.000 0.216 232 G HA3 -0.313 3.647 3.960 0.000 0.000 0.216 232 G C 0.084 174.973 174.900 -0.017 0.000 1.009 232 G CA 0.159 45.252 45.100 -0.011 0.000 0.625 232 G HN 0.660 nan 8.290 nan 0.000 0.501 233 N N 2.289 120.963 118.700 -0.043 0.000 3.245 233 N HA 0.309 5.049 4.740 0.000 0.000 0.296 233 N C 0.956 176.429 175.510 -0.061 0.000 1.254 233 N CA -0.540 52.465 53.050 -0.074 0.000 1.190 233 N CB -0.542 37.898 38.487 -0.078 0.000 1.460 233 N HN 0.370 nan 8.380 nan 0.000 0.538 234 I N 1.255 121.817 120.570 -0.013 0.000 3.017 234 I HA -0.163 4.007 4.170 0.000 0.000 0.310 234 I C 0.809 177.015 176.117 0.148 0.000 1.220 234 I CA 0.975 62.333 61.300 0.095 0.000 1.450 234 I CB -0.239 37.909 38.000 0.247 0.000 1.317 234 I HN 0.325 nan 8.210 nan 0.000 0.570 235 R N 3.642 124.228 120.500 0.143 0.000 2.575 235 R HA 0.373 4.713 4.340 0.000 0.000 0.293 235 R C -0.568 175.870 176.300 0.231 0.000 0.983 235 R CA -0.667 55.532 56.100 0.166 0.000 0.887 235 R CB 2.005 32.241 30.300 -0.107 0.000 1.184 235 R HN 0.556 nan 8.270 nan 0.000 0.445 236 S N 1.499 117.338 115.700 0.231 0.000 2.531 236 S HA 0.520 4.990 4.470 0.000 0.000 0.279 236 S C -0.358 174.291 174.600 0.081 0.000 1.305 236 S CA -0.210 58.029 58.200 0.065 0.000 1.058 236 S CB 1.236 64.383 63.200 -0.087 0.000 0.899 236 S HN 0.686 nan 8.310 nan 0.000 0.493 237 A N 2.964 125.813 122.820 0.048 0.000 2.609 237 A HA 0.859 5.180 4.320 0.000 0.000 0.291 237 A C -1.321 176.269 177.584 0.010 0.000 1.096 237 A CA -0.676 51.322 52.037 -0.065 0.000 0.684 237 A CB 1.197 20.123 19.000 -0.124 0.000 1.282 237 A HN 0.796 nan 8.150 nan 0.000 0.412 238 I N 0.081 120.615 120.570 -0.061 0.000 2.752 238 I HA 0.623 4.793 4.170 0.000 0.000 0.295 238 I C -1.284 174.893 176.117 0.100 0.000 1.219 238 I CA -0.120 61.279 61.300 0.164 0.000 1.030 238 I CB 2.445 40.484 38.000 0.064 0.000 1.259 238 I HN 0.593 nan 8.210 nan 0.000 0.423 239 T N 6.203 120.875 114.554 0.197 0.000 2.791 239 T HA 0.435 4.785 4.350 0.000 0.000 0.288 239 T C -0.700 173.838 174.700 -0.270 0.000 0.999 239 T CA -0.354 61.727 62.100 -0.031 0.000 0.952 239 T CB 1.445 70.301 68.868 -0.020 0.000 0.938 239 T HN 0.261 nan 8.240 nan 0.000 0.444 240 V N 5.083 124.772 119.914 -0.375 0.000 2.383 240 V HA 0.469 4.589 4.120 0.000 0.000 0.275 240 V C -0.312 175.497 176.094 -0.474 0.000 1.036 240 V CA -0.643 61.437 62.300 -0.366 0.000 0.889 240 V CB 0.023 31.585 31.823 -0.434 0.000 0.985 240 V HN 0.741 nan 8.190 nan 0.000 0.459 241 F N 4.828 124.726 119.950 -0.088 0.000 2.410 241 F HA 0.498 5.025 4.527 0.000 0.000 0.324 241 F C -1.835 173.911 175.800 -0.089 0.000 1.093 241 F CA -2.557 55.321 58.000 -0.203 0.000 1.028 241 F CB 0.644 39.497 39.000 -0.245 0.000 1.309 241 F HN 0.305 nan 8.300 nan 0.000 0.499 242 P HA -0.087 nan 4.420 nan 0.000 0.261 242 P C -1.109 176.252 177.300 0.102 0.000 1.165 242 P CA 0.192 63.259 63.100 -0.056 0.000 0.759 242 P CB 0.119 31.656 31.700 -0.273 0.000 0.772 243 Q N 3.509 123.283 119.800 -0.044 0.000 2.432 243 Q HA 0.071 4.411 4.340 0.000 0.000 0.264 243 Q C 0.199 176.075 176.000 -0.208 0.000 1.035 243 Q CA -0.532 54.952 55.803 -0.531 0.000 0.908 243 Q CB 0.729 28.816 28.738 -1.085 0.000 1.280 243 Q HN 0.345 nan 8.270 nan 0.000 0.455 244 R N 1.437 121.816 120.500 -0.201 0.000 2.522 244 R HA -0.010 4.330 4.340 0.000 0.000 0.284 244 R C 0.126 176.383 176.300 -0.072 0.000 1.032 244 R CA 0.776 56.844 56.100 -0.054 0.000 1.049 244 R CB 0.539 30.812 30.300 -0.046 0.000 0.956 244 R HN 0.959 nan 8.270 nan 0.000 0.422 245 S N 2.483 118.181 115.700 -0.003 0.000 2.612 245 S HA -0.044 4.426 4.470 0.000 0.000 0.193 245 S C 0.809 175.414 174.600 0.008 0.000 0.898 245 S CA 0.376 58.567 58.200 -0.016 0.000 0.872 245 S CB -0.108 63.077 63.200 -0.025 0.000 0.843 245 S HN 0.829 nan 8.310 nan 0.000 0.611 246 D N -0.256 120.172 120.400 0.046 0.000 2.398 246 D HA 0.387 5.027 4.640 0.000 0.000 0.210 246 D C 1.331 177.679 176.300 0.079 0.000 1.094 246 D CA 0.536 54.575 54.000 0.064 0.000 0.839 246 D CB -0.048 40.804 40.800 0.088 0.000 0.963 246 D HN 0.798 nan 8.370 nan 0.000 0.506 247 G N 0.676 109.527 108.800 0.085 0.000 2.176 247 G HA2 -0.357 3.603 3.960 0.000 0.000 0.253 247 G HA3 -0.357 3.603 3.960 0.000 0.000 0.253 247 G C 0.926 175.857 174.900 0.052 0.000 0.979 247 G CA 0.461 45.595 45.100 0.056 0.000 0.641 247 G HN 0.449 nan 8.290 nan 0.000 0.530 248 K N -0.648 119.811 120.400 0.099 0.000 2.374 248 K HA 0.301 4.621 4.320 0.000 0.000 0.202 248 K C 0.641 177.088 176.600 -0.255 0.000 1.040 248 K CA 0.227 56.485 56.287 -0.049 0.000 1.085 248 K CB 0.445 32.907 32.500 -0.064 0.000 0.873 248 K HN 0.482 nan 8.250 nan 0.000 0.539 249 H N 0.239 119.306 119.070 -0.006 0.000 2.575 249 H HA 0.177 4.733 4.556 0.000 0.000 0.256 249 H C -0.828 174.476 175.328 -0.039 0.000 1.162 249 H CA -0.773 55.258 56.048 -0.029 0.000 0.969 249 H CB 0.266 30.032 29.762 0.007 0.000 1.796 249 H HN 0.007 nan 8.280 nan 0.000 0.607 250 D N 0.554 120.991 120.400 0.063 0.000 2.443 250 D HA -0.023 4.617 4.640 0.000 0.000 0.239 250 D C 0.020 176.323 176.300 0.005 0.000 1.136 250 D CA 0.642 54.697 54.000 0.093 0.000 0.879 250 D CB 0.701 41.544 40.800 0.072 0.000 1.195 250 D HN 0.108 nan 8.370 nan 0.000 0.443 251 F N 1.958 121.943 119.950 0.059 0.000 2.399 251 F HA 0.396 4.923 4.527 0.000 0.000 0.334 251 F C 1.027 176.844 175.800 0.028 0.000 1.097 251 F CA -0.215 57.795 58.000 0.016 0.000 1.076 251 F CB 0.987 39.987 39.000 0.000 0.000 1.162 251 F HN -0.104 nan 8.300 nan 0.000 0.495 252 R N 2.711 123.299 120.500 0.147 0.000 2.680 252 R HA 0.543 4.883 4.340 0.000 0.000 0.269 252 R C -1.980 174.436 176.300 0.194 0.000 1.026 252 R CA -1.115 55.084 56.100 0.166 0.000 0.889 252 R CB 2.061 32.469 30.300 0.180 0.000 1.241 252 R HN 0.482 nan 8.270 nan 0.000 0.463 253 L N 1.025 122.358 121.223 0.183 0.000 2.313 253 L HA 0.426 4.767 4.340 0.000 0.000 0.283 253 L C 0.459 177.523 176.870 0.322 0.000 1.013 253 L CA -0.171 54.783 54.840 0.190 0.000 0.816 253 L CB 1.177 43.274 42.059 0.063 0.000 1.236 253 L HN 0.582 nan 8.230 nan 0.000 0.419 254 W N 0.502 121.835 121.300 0.054 0.000 2.905 254 W HA 0.102 4.762 4.660 0.000 0.000 0.251 254 W C 0.587 177.057 176.519 -0.082 0.000 1.305 254 W CA -0.527 56.912 57.345 0.157 0.000 1.465 254 W CB -0.832 28.887 29.460 0.432 0.000 1.122 254 W HN 0.483 nan 8.180 nan 0.000 0.659 255 N N -0.736 117.951 118.700 -0.022 0.000 2.399 255 N HA 0.057 4.797 4.740 0.000 0.000 0.250 255 N C 1.162 176.457 175.510 -0.359 0.000 1.272 255 N CA 0.348 53.116 53.050 -0.470 0.000 0.928 255 N CB 0.641 39.018 38.487 -0.182 0.000 1.158 255 N HN -0.324 nan 8.380 nan 0.000 0.463 256 S N -0.284 115.178 115.700 -0.397 0.000 2.356 256 S HA 0.032 4.502 4.470 0.000 0.000 0.219 256 S C 0.096 174.585 174.600 -0.185 0.000 1.036 256 S CA 0.921 58.986 58.200 -0.224 0.000 0.965 256 S CB 0.020 63.128 63.200 -0.155 0.000 0.864 256 S HN 0.547 nan 8.310 nan 0.000 0.471 257 Q N -0.683 119.005 119.800 -0.187 0.000 2.451 257 Q HA 0.469 4.809 4.340 0.000 0.000 0.281 257 Q C 0.436 176.309 176.000 -0.211 0.000 1.099 257 Q CA -0.480 55.211 55.803 -0.186 0.000 0.806 257 Q CB 1.632 30.305 28.738 -0.107 0.000 1.419 257 Q HN 0.072 nan 8.270 nan 0.000 0.427 258 L N 0.308 121.397 121.223 -0.223 0.000 1.970 258 L HA -0.078 4.262 4.340 0.000 0.000 0.212 258 L C 0.668 177.393 176.870 -0.241 0.000 1.071 258 L CA 1.175 55.893 54.840 -0.203 0.000 0.751 258 L CB -0.088 41.840 42.059 -0.217 0.000 0.889 258 L HN 0.525 nan 8.230 nan 0.000 0.432 259 I N 0.095 120.450 120.570 -0.357 0.000 2.336 259 I HA 0.378 4.548 4.170 0.000 0.000 0.292 259 I C -0.083 175.442 176.117 -0.987 0.000 0.991 259 I CA -0.047 60.875 61.300 -0.629 0.000 1.227 259 I CB 1.237 38.790 38.000 -0.745 0.000 1.366 259 I HN 0.150 nan 8.210 nan 0.000 0.466 260 R N 4.443 124.445 120.500 -0.829 0.000 2.710 260 R HA 0.530 4.870 4.340 0.000 0.000 0.270 260 R C -1.868 174.154 176.300 -0.464 0.000 1.021 260 R CA -0.636 55.079 56.100 -0.641 0.000 0.889 260 R CB 1.431 31.590 30.300 -0.236 0.000 1.243 260 R HN 0.263 nan 8.270 nan 0.000 0.464 261 Y N 0.780 121.040 120.300 -0.066 0.000 2.361 261 Y HA 0.663 5.213 4.550 0.000 0.000 0.332 261 Y C 0.580 176.475 175.900 -0.008 0.000 1.101 261 Y CA -0.736 57.377 58.100 0.023 0.000 1.137 261 Y CB 1.836 40.415 38.460 0.199 0.000 1.207 261 Y HN 0.749 nan 8.280 nan 0.000 0.463 262 A N 1.450 124.324 122.820 0.090 0.000 2.386 262 A HA 0.588 4.908 4.320 0.000 0.000 0.248 262 A C 0.509 177.873 177.584 -0.367 0.000 1.082 262 A CA 0.253 52.155 52.037 -0.225 0.000 0.789 262 A CB -0.196 18.581 19.000 -0.371 0.000 1.025 262 A HN 0.939 nan 8.150 nan 0.000 0.490 263 G N 0.703 109.244 108.800 -0.431 0.000 2.675 263 G HA2 0.564 4.524 3.960 0.000 0.000 0.297 263 G HA3 0.564 4.524 3.960 0.000 0.000 0.297 263 G C -1.123 173.603 174.900 -0.291 0.000 1.399 263 G CA -0.262 44.660 45.100 -0.298 0.000 0.981 263 G HN 0.545 nan 8.290 nan 0.000 0.519 264 Y N 0.650 120.983 120.300 0.054 0.000 2.352 264 Y HA 0.498 5.048 4.550 0.000 0.000 0.339 264 Y C 0.508 176.467 175.900 0.098 0.000 0.992 264 Y CA -1.116 57.034 58.100 0.082 0.000 1.100 264 Y CB 1.990 40.520 38.460 0.117 0.000 1.192 264 Y HN 0.536 nan 8.280 nan 0.000 0.458 265 Q N 3.316 123.263 119.800 0.244 0.000 2.286 265 Q HA 0.321 4.661 4.340 0.000 0.000 0.257 265 Q C -0.715 175.385 176.000 0.166 0.000 0.941 265 Q CA -0.572 55.324 55.803 0.155 0.000 0.912 265 Q CB 0.637 29.438 28.738 0.104 0.000 1.192 265 Q HN 0.581 nan 8.270 nan 0.000 0.410 266 M N 4.537 124.200 119.600 0.106 0.000 2.369 266 M HA 0.266 4.746 4.480 0.000 0.000 0.291 266 M C -1.697 174.607 176.300 0.007 0.000 1.178 266 M CA -2.570 52.758 55.300 0.047 0.000 0.996 266 M CB -0.355 32.260 32.600 0.024 0.000 1.472 266 M HN 0.526 nan 8.290 nan 0.000 0.496 267 P HA -0.132 nan 4.420 nan 0.000 0.215 267 P C 0.144 177.431 177.300 -0.022 0.000 1.157 267 P CA 1.286 64.362 63.100 -0.040 0.000 0.863 267 P CB -0.121 31.536 31.700 -0.072 0.000 0.787 268 D N -1.710 118.676 120.400 -0.023 0.000 2.379 268 D HA 0.070 4.710 4.640 0.000 0.000 0.243 268 D C 1.405 177.705 176.300 -0.001 0.000 1.088 268 D CA 0.858 54.850 54.000 -0.014 0.000 0.925 268 D CB -1.135 39.655 40.800 -0.017 0.000 0.888 268 D HN 0.256 nan 8.370 nan 0.000 0.529 269 G N -0.006 108.798 108.800 0.006 0.000 2.267 269 G HA2 -0.340 3.620 3.960 0.000 0.000 0.257 269 G HA3 -0.340 3.620 3.960 0.000 0.000 0.257 269 G C 0.657 175.570 174.900 0.022 0.000 0.998 269 G CA 0.656 45.765 45.100 0.016 0.000 0.620 269 G HN 0.851 nan 8.290 nan 0.000 0.529 270 T N 0.144 114.710 114.554 0.020 0.000 2.918 270 T HA 0.605 4.955 4.350 0.000 0.000 0.302 270 T C 0.527 175.250 174.700 0.038 0.000 1.045 270 T CA -0.513 61.602 62.100 0.023 0.000 1.114 270 T CB 1.444 70.322 68.868 0.017 0.000 0.965 270 T HN 0.384 nan 8.240 nan 0.000 0.540 271 I N 2.303 122.892 120.570 0.032 0.000 2.385 271 I HA 0.450 4.620 4.170 0.000 0.000 0.294 271 I C 0.589 176.724 176.117 0.030 0.000 0.988 271 I CA -0.566 60.757 61.300 0.038 0.000 1.265 271 I CB 1.424 39.429 38.000 0.009 0.000 1.388 271 I HN 0.818 nan 8.210 nan 0.000 0.480 272 R N 3.052 123.598 120.500 0.076 0.000 2.599 272 R HA 0.623 4.963 4.340 0.000 0.000 0.295 272 R C 0.229 176.542 176.300 0.021 0.000 0.963 272 R CA 0.265 56.409 56.100 0.073 0.000 0.883 272 R CB 1.703 32.112 30.300 0.182 0.000 1.171 272 R HN 0.896 nan 8.270 nan 0.000 0.450 273 G N 2.640 111.377 108.800 -0.104 0.000 2.498 273 G HA2 -0.274 3.687 3.960 0.000 0.000 0.245 273 G HA3 -0.274 3.687 3.960 0.000 0.000 0.245 273 G C -1.087 173.548 174.900 -0.442 0.000 1.204 273 G CA 0.111 45.112 45.100 -0.165 0.000 0.933 273 G HN 0.655 nan 8.290 nan 0.000 0.574 274 D N 1.757 122.051 120.400 -0.178 0.000 2.441 274 D HA 0.598 5.238 4.640 0.000 0.000 0.221 274 D C 1.520 177.784 176.300 -0.061 0.000 1.156 274 D CA 0.786 54.709 54.000 -0.128 0.000 0.896 274 D CB 0.604 41.607 40.800 0.337 0.000 1.028 274 D HN 0.954 nan 8.370 nan 0.000 0.509 275 A N 3.653 126.410 122.820 -0.105 0.000 2.139 275 A HA -0.142 4.178 4.320 0.000 0.000 0.221 275 A C 2.049 179.650 177.584 0.029 0.000 1.159 275 A CA 1.784 53.804 52.037 -0.028 0.000 0.662 275 A CB -0.236 18.749 19.000 -0.024 0.000 0.796 275 A HN 0.602 nan 8.150 nan 0.000 0.463 276 A N -0.475 122.387 122.820 0.069 0.000 2.015 276 A HA 0.016 4.336 4.320 0.000 0.000 0.219 276 A C 1.970 179.616 177.584 0.104 0.000 1.163 276 A CA 1.869 53.966 52.037 0.101 0.000 0.646 276 A CB -0.783 18.305 19.000 0.148 0.000 0.806 276 A HN 0.820 nan 8.150 nan 0.000 0.448 277 T N -2.791 111.823 114.554 0.099 0.000 3.243 277 T HA 0.476 4.826 4.350 0.000 0.000 0.264 277 T C 1.188 175.925 174.700 0.063 0.000 1.000 277 T CA -0.191 61.976 62.100 0.113 0.000 0.901 277 T CB -0.226 68.721 68.868 0.132 0.000 1.083 277 T HN 0.219 nan 8.240 nan 0.000 0.559 278 L N 0.534 121.780 121.223 0.038 0.000 1.976 278 L HA -0.065 4.275 4.340 0.000 0.000 0.209 278 L C 2.933 179.805 176.870 0.003 0.000 1.071 278 L CA 1.977 56.824 54.840 0.012 0.000 0.746 278 L CB -0.392 41.683 42.059 0.026 0.000 0.890 278 L HN 0.430 nan 8.230 nan 0.000 0.432 279 E N -0.190 120.020 120.200 0.016 0.000 2.038 279 E HA -0.307 4.043 4.350 0.000 0.000 0.195 279 E C 2.136 178.663 176.600 -0.123 0.000 1.000 279 E CA 1.726 58.101 56.400 -0.041 0.000 0.803 279 E CB -0.203 29.490 29.700 -0.011 0.000 0.750 279 E HN 0.343 nan 8.360 nan 0.000 0.448 280 F N 1.168 120.981 119.950 -0.227 0.000 2.216 280 F HA -0.143 4.384 4.527 0.000 0.000 0.300 280 F C 2.219 177.910 175.800 -0.181 0.000 1.085 280 F CA 1.683 59.512 58.000 -0.284 0.000 1.326 280 F CB -0.387 38.530 39.000 -0.139 0.000 1.027 280 F HN -0.016 nan 8.300 nan 0.000 0.497 281 T N -0.398 114.047 114.554 -0.181 0.000 2.821 281 T HA -0.203 4.147 4.350 0.000 0.000 0.267 281 T C 1.746 176.356 174.700 -0.150 0.000 1.046 281 T CA 1.461 63.422 62.100 -0.232 0.000 1.139 281 T CB -0.209 68.566 68.868 -0.156 0.000 0.871 281 T HN 0.242 nan 8.240 nan 0.000 0.454 282 Q N 0.879 120.606 119.800 -0.121 0.000 2.079 282 Q HA -0.012 4.329 4.340 0.000 0.000 0.200 282 Q C 2.100 178.017 176.000 -0.138 0.000 0.974 282 Q CA 1.096 56.855 55.803 -0.073 0.000 0.840 282 Q CB -0.746 27.956 28.738 -0.060 0.000 0.898 282 Q HN 0.398 nan 8.270 nan 0.000 0.430 283 L N -0.266 120.797 121.223 -0.266 0.000 2.079 283 L HA -0.163 4.177 4.340 0.000 0.000 0.210 283 L C 2.024 178.741 176.870 -0.254 0.000 1.081 283 L CA 1.778 56.458 54.840 -0.267 0.000 0.752 283 L CB -0.996 40.838 42.059 -0.375 0.000 0.896 283 L HN 0.387 nan 8.230 nan 0.000 0.433 284 C N -0.661 118.395 119.300 -0.406 0.000 2.440 284 C HA -0.068 4.392 4.460 0.000 0.000 0.278 284 C C 2.740 177.761 174.990 0.053 0.000 1.295 284 C CA 0.602 59.450 59.018 -0.283 0.000 1.738 284 C CB -0.797 26.620 27.740 -0.538 0.000 1.987 284 C HN 0.567 nan 8.230 nan 0.000 0.492 285 I N 1.141 121.780 120.570 0.115 0.000 2.226 285 I HA -0.181 3.989 4.170 0.000 0.000 0.245 285 I C 2.111 178.240 176.117 0.020 0.000 1.100 285 I CA 1.536 62.910 61.300 0.123 0.000 1.374 285 I CB -0.593 37.460 38.000 0.089 0.000 1.057 285 I HN 0.320 nan 8.210 nan 0.000 0.413 286 D N 1.072 121.458 120.400 -0.023 0.000 2.097 286 D HA -0.126 4.514 4.640 0.000 0.000 0.195 286 D C 2.108 178.377 176.300 -0.053 0.000 0.989 286 D CA 1.224 55.194 54.000 -0.050 0.000 0.827 286 D CB -0.328 40.428 40.800 -0.073 0.000 0.966 286 D HN 0.280 nan 8.370 nan 0.000 0.456 287 L N -0.432 120.766 121.223 -0.042 0.000 2.700 287 L HA 0.075 4.415 4.340 0.000 0.000 0.240 287 L C 1.485 178.335 176.870 -0.033 0.000 1.162 287 L CA 0.643 55.460 54.840 -0.039 0.000 0.874 287 L CB -0.450 41.584 42.059 -0.043 0.000 1.001 287 L HN 0.210 nan 8.230 nan 0.000 0.447 288 G N -1.554 107.237 108.800 -0.014 0.000 2.179 288 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 288 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 288 G C -0.098 174.814 174.900 0.020 0.000 0.990 288 G CA -0.302 44.787 45.100 -0.019 0.000 0.646 288 G HN 0.326 nan 8.290 nan 0.000 0.517 289 W N 2.966 124.193 121.300 -0.121 0.000 2.181 289 W HA 0.613 5.274 4.660 0.000 0.000 0.335 289 W C 0.139 176.606 176.519 -0.087 0.000 1.310 289 W CA -0.501 56.779 57.345 -0.109 0.000 1.226 289 W CB 0.691 30.078 29.460 -0.121 0.000 1.155 289 W HN -0.086 nan 8.180 nan 0.000 0.565 290 K N 8.147 128.031 120.400 -0.860 0.000 2.263 290 K HA 0.204 4.524 4.320 0.000 0.000 0.282 290 K C -2.316 173.473 176.600 -1.352 0.000 1.089 290 K CA -1.885 53.913 56.287 -0.816 0.000 0.907 290 K CB 0.354 32.560 32.500 -0.490 0.000 1.148 290 K HN 0.321 nan 8.250 nan 0.000 0.470 291 P HA 0.156 nan 4.420 nan 0.000 0.271 291 P C -0.145 176.664 177.300 -0.819 0.000 1.233 291 P CA -0.105 62.333 63.100 -1.104 0.000 0.764 291 P CB 0.572 31.720 31.700 -0.919 0.000 0.825 292 R N 2.253 122.409 120.500 -0.573 0.000 2.335 292 R HA 0.075 4.415 4.340 0.000 0.000 0.223 292 R C 0.086 176.245 176.300 -0.234 0.000 0.940 292 R CA -0.310 55.635 56.100 -0.258 0.000 1.086 292 R CB -0.651 29.617 30.300 -0.053 0.000 1.073 292 R HN 0.424 nan 8.270 nan 0.000 0.504 293 Y N -0.319 119.543 120.300 -0.731 0.000 3.086 293 Y HA -0.310 4.240 4.550 0.000 0.000 0.214 293 Y C 1.154 176.905 175.900 -0.248 0.000 1.174 293 Y CA 0.643 58.184 58.100 -0.931 0.000 1.167 293 Y CB -1.789 36.329 38.460 -0.570 0.000 1.285 293 Y HN 0.261 nan 8.280 nan 0.000 0.562 294 G N -0.390 108.514 108.800 0.172 0.000 2.557 294 G HA2 0.438 4.398 3.960 0.000 0.000 0.302 294 G HA3 0.438 4.398 3.960 0.000 0.000 0.302 294 G C 0.696 175.717 174.900 0.202 0.000 1.311 294 G CA -0.307 44.910 45.100 0.195 0.000 1.030 294 G HN 0.332 nan 8.290 nan 0.000 0.509 295 R N -1.830 118.656 120.500 -0.023 0.000 2.206 295 R HA 0.222 4.562 4.340 0.000 0.000 0.198 295 R C -0.106 175.792 176.300 -0.670 0.000 0.986 295 R CA 0.412 56.311 56.100 -0.336 0.000 1.029 295 R CB 0.098 30.090 30.300 -0.513 0.000 0.966 295 R HN 0.326 nan 8.270 nan 0.000 0.487 296 F N 1.295 121.204 119.950 -0.069 0.000 2.564 296 F HA 0.332 4.859 4.527 0.000 0.000 0.329 296 F C -1.218 174.511 175.800 -0.120 0.000 1.458 296 F CA -1.355 56.341 58.000 -0.506 0.000 1.117 296 F CB 0.900 39.501 39.000 -0.666 0.000 1.383 296 F HN -0.238 nan 8.300 nan 0.000 0.571 297 D N 1.476 122.030 120.400 0.257 0.000 2.317 297 D HA 0.245 4.885 4.640 0.000 0.000 0.234 297 D C 0.129 176.679 176.300 0.418 0.000 1.112 297 D CA -0.083 54.144 54.000 0.377 0.000 0.840 297 D CB 2.443 43.528 40.800 0.474 0.000 1.078 297 D HN -0.049 nan 8.370 nan 0.000 0.486 298 V N 3.766 123.894 119.914 0.356 0.000 2.493 298 V HA -0.022 4.098 4.120 0.000 0.000 0.292 298 V C 1.062 177.164 176.094 0.014 0.000 1.016 298 V CA -0.167 62.224 62.300 0.153 0.000 1.097 298 V CB 0.049 31.919 31.823 0.078 0.000 0.947 298 V HN 0.351 nan 8.190 nan 0.000 0.479 299 L N 8.348 129.472 121.223 -0.166 0.000 2.473 299 L HA 0.300 4.640 4.340 0.000 0.000 0.268 299 L C -1.673 174.960 176.870 -0.395 0.000 1.215 299 L CA -1.270 53.295 54.840 -0.459 0.000 0.823 299 L CB 0.604 42.498 42.059 -0.274 0.000 1.099 299 L HN 0.481 nan 8.230 nan 0.000 0.483 300 P HA 0.180 nan 4.420 nan 0.000 0.279 300 P C -1.047 176.199 177.300 -0.090 0.000 1.252 300 P CA -0.544 62.365 63.100 -0.319 0.000 0.811 300 P CB 1.003 32.413 31.700 -0.484 0.000 1.035 301 L N 1.457 122.719 121.223 0.065 0.000 2.319 301 L HA 0.222 4.562 4.340 0.000 0.000 0.280 301 L C 0.186 177.160 176.870 0.172 0.000 1.099 301 L CA -0.664 54.264 54.840 0.147 0.000 0.828 301 L CB 0.928 43.115 42.059 0.213 0.000 1.150 301 L HN 0.103 nan 8.230 nan 0.000 0.442 302 V N 6.272 126.297 119.914 0.185 0.000 2.294 302 V HA 0.342 4.462 4.120 0.000 0.000 0.272 302 V C 0.106 176.214 176.094 0.024 0.000 1.027 302 V CA -0.312 62.040 62.300 0.086 0.000 0.823 302 V CB 1.138 33.062 31.823 0.168 0.000 1.030 302 V HN 0.497 nan 8.190 nan 0.000 0.457 303 L N 4.858 126.089 121.223 0.013 0.000 2.322 303 L HA 0.629 4.970 4.340 0.000 0.000 0.281 303 L C -0.136 176.639 176.870 -0.159 0.000 1.014 303 L CA -0.368 54.449 54.840 -0.038 0.000 0.815 303 L CB 1.759 43.817 42.059 -0.002 0.000 1.247 303 L HN 0.579 nan 8.230 nan 0.000 0.421 304 Q N 2.836 122.531 119.800 -0.175 0.000 2.333 304 Q HA 0.725 5.065 4.340 0.000 0.000 0.268 304 Q C -1.401 174.446 176.000 -0.256 0.000 1.007 304 Q CA -0.602 55.065 55.803 -0.226 0.000 0.810 304 Q CB 2.064 30.726 28.738 -0.126 0.000 1.264 304 Q HN 0.785 nan 8.270 nan 0.000 0.452 305 A N 3.787 126.390 122.820 -0.361 0.000 2.342 305 A HA 0.448 4.769 4.320 0.000 0.000 0.323 305 A C -0.478 176.562 177.584 -0.907 0.000 1.125 305 A CA -0.352 51.202 52.037 -0.805 0.000 0.785 305 A CB 1.056 19.899 19.000 -0.261 0.000 1.221 305 A HN 0.955 nan 8.150 nan 0.000 0.463 306 D N 1.449 120.874 120.400 -1.626 0.000 2.803 306 D HA -0.125 4.515 4.640 0.000 0.000 0.233 306 D C 1.351 177.472 176.300 -0.298 0.000 1.182 306 D CA 2.543 56.181 54.000 -0.603 0.000 0.726 306 D CB -1.078 39.603 40.800 -0.199 0.000 0.987 306 D HN 1.982 nan 8.370 nan 0.000 0.412 307 G N 0.164 108.799 108.800 -0.276 0.000 2.230 307 G HA2 -0.409 3.551 3.960 0.000 0.000 0.270 307 G HA3 -0.409 3.551 3.960 0.000 0.000 0.270 307 G C 0.572 175.404 174.900 -0.113 0.000 0.987 307 G CA 1.131 46.129 45.100 -0.170 0.000 0.664 307 G HN 0.602 nan 8.290 nan 0.000 0.539 308 Q N 0.616 120.322 119.800 -0.157 0.000 2.584 308 Q HA 0.275 4.615 4.340 0.000 0.000 0.218 308 Q C 0.152 176.096 176.000 -0.093 0.000 1.079 308 Q CA -0.026 55.720 55.803 -0.096 0.000 1.008 308 Q CB 0.158 28.828 28.738 -0.112 0.000 1.267 308 Q HN 0.392 nan 8.270 nan 0.000 0.586 309 D N 2.011 122.369 120.400 -0.070 0.000 2.382 309 D HA 0.176 4.816 4.640 0.000 0.000 0.245 309 D C -2.079 174.011 176.300 -0.351 0.000 1.120 309 D CA -1.048 52.837 54.000 -0.192 0.000 0.890 309 D CB 0.253 41.094 40.800 0.068 0.000 1.201 309 D HN 0.185 nan 8.370 nan 0.000 0.433 310 P HA 0.054 nan 4.420 nan 0.000 0.268 310 P C -0.660 176.427 177.300 -0.355 0.000 1.205 310 P CA -0.023 62.668 63.100 -0.682 0.000 0.771 310 P CB 0.942 31.771 31.700 -1.451 0.000 0.858 311 E N 0.788 120.858 120.200 -0.217 0.000 2.195 311 E HA 0.384 4.734 4.350 0.000 0.000 0.271 311 E C -0.689 175.794 176.600 -0.194 0.000 0.923 311 E CA -1.207 55.080 56.400 -0.188 0.000 0.790 311 E CB 2.003 31.635 29.700 -0.113 0.000 1.155 311 E HN 0.172 nan 8.360 nan 0.000 0.402 312 V N 3.445 123.148 119.914 -0.353 0.000 2.465 312 V HA 0.349 4.469 4.120 0.000 0.000 0.279 312 V C -0.691 175.080 176.094 -0.538 0.000 1.045 312 V CA -0.260 61.876 62.300 -0.273 0.000 0.938 312 V CB 0.085 31.803 31.823 -0.175 0.000 0.986 312 V HN 0.505 nan 8.190 nan 0.000 0.467 313 F N 1.997 121.827 119.950 -0.199 0.000 2.539 313 F HA 0.443 4.970 4.527 0.000 0.000 0.318 313 F C 0.480 176.188 175.800 -0.153 0.000 1.135 313 F CA -0.727 57.062 58.000 -0.351 0.000 0.915 313 F CB 1.658 40.227 39.000 -0.718 0.000 1.176 313 F HN 0.408 nan 8.300 nan 0.000 0.440 314 E N 3.581 123.818 120.200 0.061 0.000 2.354 314 E HA 0.301 4.651 4.350 0.000 0.000 0.269 314 E C -0.328 176.435 176.600 0.272 0.000 1.036 314 E CA -0.259 56.237 56.400 0.160 0.000 0.876 314 E CB 1.802 31.602 29.700 0.167 0.000 1.009 314 E HN 0.508 nan 8.360 nan 0.000 0.416 315 I N 4.184 124.896 120.570 0.236 0.000 2.352 315 I HA 0.111 4.281 4.170 0.000 0.000 0.290 315 I C -2.058 174.173 176.117 0.190 0.000 1.036 315 I CA -2.062 59.386 61.300 0.246 0.000 1.336 315 I CB 0.616 38.685 38.000 0.115 0.000 1.407 315 I HN 0.083 nan 8.210 nan 0.000 0.497 316 P HA 0.010 nan 4.420 nan 0.000 0.257 316 P C -1.999 175.355 177.300 0.089 0.000 1.189 316 P CA -0.666 62.516 63.100 0.136 0.000 0.780 316 P CB 0.060 31.823 31.700 0.105 0.000 0.772 317 P HA -0.220 nan 4.420 nan 0.000 0.218 317 P C 0.838 178.171 177.300 0.056 0.000 1.146 317 P CA 1.399 64.545 63.100 0.077 0.000 0.820 317 P CB 0.003 31.753 31.700 0.082 0.000 0.778 318 D N -1.327 119.102 120.400 0.048 0.000 2.312 318 D HA -0.031 4.610 4.640 0.000 0.000 0.211 318 D C 1.645 177.960 176.300 0.024 0.000 0.964 318 D CA 0.845 54.865 54.000 0.033 0.000 0.877 318 D CB -0.078 40.739 40.800 0.029 0.000 0.924 318 D HN 0.280 nan 8.370 nan 0.000 0.515 319 L N 0.320 121.557 121.223 0.024 0.000 2.567 319 L HA 0.075 4.415 4.340 0.000 0.000 0.225 319 L C 0.420 177.299 176.870 0.015 0.000 1.119 319 L CA 0.089 54.936 54.840 0.011 0.000 0.871 319 L CB 0.663 42.718 42.059 -0.007 0.000 1.036 319 L HN -0.246 nan 8.230 nan 0.000 0.459 320 V N 2.094 122.022 119.914 0.024 0.000 2.304 320 V HA 0.181 4.301 4.120 0.000 0.000 0.269 320 V C -0.072 176.047 176.094 0.040 0.000 1.036 320 V CA -0.484 61.831 62.300 0.025 0.000 0.840 320 V CB 1.402 33.239 31.823 0.023 0.000 1.036 320 V HN 0.029 nan 8.190 nan 0.000 0.466 321 L N 5.813 127.063 121.223 0.044 0.000 2.305 321 L HA 0.561 4.901 4.340 0.000 0.000 0.281 321 L C 0.062 176.956 176.870 0.040 0.000 1.085 321 L CA 0.593 55.452 54.840 0.031 0.000 0.813 321 L CB 0.838 42.910 42.059 0.022 0.000 1.157 321 L HN 0.671 nan 8.230 nan 0.000 0.436 322 E N 3.107 123.310 120.200 0.006 0.000 2.359 322 E HA 0.628 4.978 4.350 0.000 0.000 0.266 322 E C -1.513 175.019 176.600 -0.113 0.000 0.920 322 E CA -1.055 55.340 56.400 -0.008 0.000 0.788 322 E CB 2.525 32.251 29.700 0.042 0.000 1.279 322 E HN 0.380 nan 8.360 nan 0.000 0.438 323 V N 1.574 121.385 119.914 -0.173 0.000 2.444 323 V HA 0.269 4.389 4.120 0.000 0.000 0.294 323 V C -0.187 175.839 176.094 -0.115 0.000 1.022 323 V CA -0.813 61.327 62.300 -0.268 0.000 0.850 323 V CB 1.609 33.017 31.823 -0.692 0.000 0.992 323 V HN 0.832 nan 8.190 nan 0.000 0.426 324 T N 3.489 117.997 114.554 -0.077 0.000 2.817 324 T HA 0.526 4.876 4.350 0.000 0.000 0.293 324 T C -0.100 174.625 174.700 0.040 0.000 0.964 324 T CA -0.793 61.294 62.100 -0.022 0.000 1.085 324 T CB 0.837 69.697 68.868 -0.014 0.000 0.921 324 T HN 0.300 nan 8.240 nan 0.000 0.502 325 M N 3.271 122.933 119.600 0.103 0.000 2.184 325 M HA 0.377 4.857 4.480 0.000 0.000 0.351 325 M C 0.278 176.772 176.300 0.323 0.000 1.395 325 M CA 0.185 55.633 55.300 0.246 0.000 1.117 325 M CB -0.347 32.468 32.600 0.358 0.000 1.708 325 M HN 0.785 nan 8.290 nan 0.000 0.468 326 E N 0.990 121.372 120.200 0.304 0.000 2.343 326 E HA 0.394 4.744 4.350 0.000 0.000 0.270 326 E C -1.156 175.529 176.600 0.142 0.000 0.895 326 E CA -0.759 55.816 56.400 0.292 0.000 0.767 326 E CB 2.581 32.409 29.700 0.213 0.000 1.248 326 E HN 0.497 nan 8.360 nan 0.000 0.440 327 H N 2.751 121.752 119.070 -0.114 0.000 2.492 327 H HA 0.253 4.810 4.556 0.000 0.000 0.345 327 H C -2.002 173.045 175.328 -0.468 0.000 1.136 327 H CA -2.454 53.321 56.048 -0.454 0.000 1.202 327 H CB 1.827 31.190 29.762 -0.665 0.000 1.524 327 H HN 0.304 nan 8.280 nan 0.000 0.506 328 P HA -0.038 nan 4.420 nan 0.000 0.239 328 P C 0.337 177.542 177.300 -0.158 0.000 1.184 328 P CA 0.761 63.505 63.100 -0.594 0.000 0.760 328 P CB 0.761 31.925 31.700 -0.893 0.000 0.884 329 K N -1.398 118.994 120.400 -0.015 0.000 2.585 329 K HA 0.141 4.461 4.320 0.000 0.000 0.198 329 K C 0.778 177.340 176.600 -0.063 0.000 1.403 329 K CA 0.299 56.504 56.287 -0.137 0.000 1.021 329 K CB 0.019 32.351 32.500 -0.280 0.000 1.558 329 K HN 0.249 nan 8.250 nan 0.000 0.524 330 Y N 2.979 122.973 120.300 -0.509 0.000 2.539 330 Y HA 0.130 4.680 4.550 0.000 0.000 0.352 330 Y C 1.224 176.841 175.900 -0.471 0.000 1.004 330 Y CA -0.456 57.270 58.100 -0.622 0.000 1.278 330 Y CB 0.610 38.318 38.460 -1.254 0.000 1.136 330 Y HN 0.075 nan 8.280 nan 0.000 0.528 331 E N 3.867 124.042 120.200 -0.043 0.000 2.274 331 E HA -0.156 4.194 4.350 0.000 0.000 0.194 331 E C 1.422 178.055 176.600 0.054 0.000 0.996 331 E CA 0.734 57.152 56.400 0.030 0.000 0.840 331 E CB -0.001 29.757 29.700 0.096 0.000 0.772 331 E HN 0.839 nan 8.360 nan 0.000 0.491 332 W N -0.198 121.185 121.300 0.139 0.000 2.825 332 W HA -0.001 4.659 4.660 0.000 0.000 0.243 332 W C 1.211 177.800 176.519 0.116 0.000 1.293 332 W CA -0.208 57.189 57.345 0.087 0.000 1.403 332 W CB -0.769 28.705 29.460 0.023 0.000 1.134 332 W HN -0.048 nan 8.180 nan 0.000 0.666 333 F N 3.117 122.781 119.950 -0.477 0.000 2.146 333 F HA -0.229 4.298 4.527 0.000 0.000 0.298 333 F C 3.043 178.804 175.800 -0.064 0.000 1.096 333 F CA 2.633 60.421 58.000 -0.354 0.000 1.275 333 F CB -0.585 38.181 39.000 -0.390 0.000 1.008 333 F HN -0.131 nan 8.300 nan 0.000 0.480 334 Q N 1.087 120.931 119.800 0.074 0.000 2.135 334 Q HA -0.270 4.070 4.340 0.000 0.000 0.204 334 Q C 1.726 177.731 176.000 0.009 0.000 0.981 334 Q CA 2.166 58.003 55.803 0.057 0.000 0.856 334 Q CB -0.680 28.108 28.738 0.083 0.000 0.902 334 Q HN 0.573 nan 8.270 nan 0.000 0.425 335 E N 0.426 120.651 120.200 0.042 0.000 2.331 335 E HA -0.124 4.226 4.350 0.000 0.000 0.199 335 E C 2.093 178.700 176.600 0.012 0.000 1.008 335 E CA 0.781 57.214 56.400 0.054 0.000 0.843 335 E CB -0.134 29.636 29.700 0.116 0.000 0.761 335 E HN 0.409 nan 8.360 nan 0.000 0.507 336 L N -0.405 120.772 121.223 -0.076 0.000 2.275 336 L HA -0.023 4.317 4.340 0.000 0.000 0.215 336 L C 1.492 178.326 176.870 -0.060 0.000 1.119 336 L CA 0.587 55.350 54.840 -0.127 0.000 0.790 336 L CB -0.413 41.412 42.059 -0.390 0.000 0.919 336 L HN 0.259 nan 8.230 nan 0.000 0.443 337 G N 0.911 109.689 108.800 -0.037 0.000 2.246 337 G HA2 -0.275 3.685 3.960 0.000 0.000 0.273 337 G HA3 -0.275 3.685 3.960 0.000 0.000 0.273 337 G C -0.017 174.940 174.900 0.097 0.000 1.055 337 G CA -0.059 45.069 45.100 0.047 0.000 0.851 337 G HN 0.221 nan 8.290 nan 0.000 0.500 338 L N -0.568 120.624 121.223 -0.052 0.000 2.343 338 L HA 0.812 5.152 4.340 0.000 0.000 0.275 338 L C 0.622 177.375 176.870 -0.194 0.000 1.056 338 L CA -0.625 54.135 54.840 -0.133 0.000 0.804 338 L CB 1.753 43.599 42.059 -0.354 0.000 1.203 338 L HN 0.540 nan 8.230 nan 0.000 0.440 339 K N 1.071 121.220 120.400 -0.417 0.000 2.615 339 K HA 0.494 4.814 4.320 0.000 0.000 0.291 339 K C -2.036 174.563 176.600 -0.002 0.000 1.017 339 K CA -1.066 55.096 56.287 -0.209 0.000 0.882 339 K CB 2.181 34.494 32.500 -0.312 0.000 1.522 339 K HN 0.557 nan 8.250 nan 0.000 0.412 340 W N 1.813 123.057 121.300 -0.094 0.000 3.137 340 W HA 0.344 5.004 4.660 0.000 0.000 0.324 340 W C -1.319 175.200 176.519 -0.000 0.000 1.253 340 W CA -0.813 56.520 57.345 -0.020 0.000 1.183 340 W CB 1.649 30.969 29.460 -0.234 0.000 1.424 340 W HN 0.686 nan 8.180 nan 0.000 0.566 341 Y N 1.018 121.206 120.300 -0.186 0.000 2.336 341 Y HA 0.514 5.064 4.550 0.000 0.000 0.331 341 Y C 0.797 176.865 175.900 0.281 0.000 1.211 341 Y CA -0.089 57.981 58.100 -0.050 0.000 1.346 341 Y CB 0.182 38.492 38.460 -0.251 0.000 1.271 341 Y HN 0.349 nan 8.280 nan 0.000 0.538 342 A N 2.694 125.706 122.820 0.320 0.000 2.169 342 A HA 0.114 4.434 4.320 0.000 0.000 0.212 342 A C 0.371 178.256 177.584 0.501 0.000 1.153 342 A CA 0.172 52.463 52.037 0.423 0.000 0.756 342 A CB -0.274 18.826 19.000 0.167 0.000 0.813 342 A HN 0.655 nan 8.150 nan 0.000 0.471 343 L N 1.925 123.403 121.223 0.424 0.000 2.277 343 L HA 0.433 4.773 4.340 0.000 0.000 0.284 343 L C -2.621 174.380 176.870 0.219 0.000 1.028 343 L CA -2.270 52.732 54.840 0.269 0.000 0.835 343 L CB 1.598 43.752 42.059 0.159 0.000 1.215 343 L HN -0.058 nan 8.230 nan 0.000 0.425 344 P HA 0.434 nan 4.420 nan 0.000 0.295 344 P C -1.500 175.688 177.300 -0.187 0.000 1.354 344 P CA -0.338 62.577 63.100 -0.309 0.000 0.814 344 P CB 1.480 32.546 31.700 -1.058 0.000 0.935 345 A N 4.055 126.783 122.820 -0.154 0.000 2.402 345 A HA 0.479 4.799 4.320 0.000 0.000 0.291 345 A C -0.607 176.767 177.584 -0.351 0.000 1.051 345 A CA -0.663 51.221 52.037 -0.255 0.000 0.716 345 A CB 1.390 20.243 19.000 -0.244 0.000 1.223 345 A HN 0.278 nan 8.150 nan 0.000 0.425 346 V N 2.100 121.651 119.914 -0.605 0.000 2.530 346 V HA 0.433 4.553 4.120 0.000 0.000 0.282 346 V C 1.190 176.891 176.094 -0.654 0.000 1.048 346 V CA 0.913 62.810 62.300 -0.671 0.000 0.997 346 V CB 1.205 32.414 31.823 -1.024 0.000 0.987 346 V HN 1.207 nan 8.190 nan 0.000 0.477 347 A N 3.976 126.569 122.820 -0.379 0.000 2.259 347 A HA 0.141 4.461 4.320 0.000 0.000 0.213 347 A C 1.176 178.666 177.584 -0.156 0.000 1.209 347 A CA 0.397 52.279 52.037 -0.258 0.000 0.910 347 A CB -0.101 18.789 19.000 -0.183 0.000 0.946 347 A HN 0.926 nan 8.150 nan 0.000 0.497 348 N N -1.172 117.438 118.700 -0.150 0.000 2.282 348 N HA 0.334 5.074 4.740 0.000 0.000 0.240 348 N C 0.002 175.513 175.510 0.002 0.000 1.182 348 N CA -0.250 52.758 53.050 -0.070 0.000 0.874 348 N CB 0.223 38.646 38.487 -0.106 0.000 1.126 348 N HN 0.272 nan 8.380 nan 0.000 0.516 349 M N 1.124 120.739 119.600 0.025 0.000 2.494 349 M HA 0.386 4.867 4.480 0.000 0.000 0.300 349 M C -0.656 175.776 176.300 0.220 0.000 1.189 349 M CA -0.904 54.486 55.300 0.151 0.000 0.982 349 M CB 2.218 34.930 32.600 0.187 0.000 1.534 349 M HN 0.146 nan 8.290 nan 0.000 0.488 350 L N 2.080 123.472 121.223 0.281 0.000 2.322 350 L HA 0.567 4.907 4.340 0.000 0.000 0.281 350 L C -1.534 175.565 176.870 0.381 0.000 1.014 350 L CA -0.991 54.029 54.840 0.299 0.000 0.815 350 L CB 1.450 43.642 42.059 0.220 0.000 1.247 350 L HN 0.584 nan 8.230 nan 0.000 0.421 351 L N 5.005 126.452 121.223 0.372 0.000 2.257 351 L HA 0.451 4.791 4.340 0.000 0.000 0.290 351 L C -0.423 176.609 176.870 0.270 0.000 1.044 351 L CA 0.329 55.333 54.840 0.274 0.000 0.810 351 L CB 0.988 43.175 42.059 0.213 0.000 1.193 351 L HN 0.632 nan 8.230 nan 0.000 0.425 352 E N 4.982 125.298 120.200 0.193 0.000 2.151 352 E HA 0.461 4.811 4.350 0.000 0.000 0.275 352 E C -1.865 174.751 176.600 0.028 0.000 0.936 352 E CA -0.402 56.083 56.400 0.141 0.000 0.777 352 E CB 1.882 31.703 29.700 0.200 0.000 1.108 352 E HN 0.488 nan 8.360 nan 0.000 0.401 353 V N 3.339 123.234 119.914 -0.031 0.000 2.711 353 V HA 0.512 4.632 4.120 0.000 0.000 0.304 353 V C 0.327 176.306 176.094 -0.191 0.000 1.097 353 V CA 0.417 62.577 62.300 -0.233 0.000 0.906 353 V CB 1.343 32.921 31.823 -0.408 0.000 1.015 353 V HN 0.866 nan 8.190 nan 0.000 0.427 354 G N 4.524 113.255 108.800 -0.114 0.000 2.421 354 G HA2 0.071 4.031 3.960 0.000 0.000 0.300 354 G HA3 0.071 4.031 3.960 0.000 0.000 0.300 354 G C 1.540 176.605 174.900 0.274 0.000 0.974 354 G CA 1.441 46.666 45.100 0.209 0.000 1.062 354 G HN 2.708 nan 8.290 nan 0.000 0.514 355 G N -1.811 107.067 108.800 0.131 0.000 2.284 355 G HA2 -0.273 3.687 3.960 0.000 0.000 0.247 355 G HA3 -0.273 3.687 3.960 0.000 0.000 0.247 355 G C 0.662 175.605 174.900 0.072 0.000 1.012 355 G CA 0.539 45.741 45.100 0.169 0.000 0.618 355 G HN 1.290 nan 8.290 nan 0.000 0.521 356 L N 0.652 121.883 121.223 0.014 0.000 2.436 356 L HA 0.611 4.951 4.340 0.000 0.000 0.265 356 L C 0.437 177.209 176.870 -0.163 0.000 1.168 356 L CA -0.064 54.683 54.840 -0.156 0.000 0.815 356 L CB 0.727 42.610 42.059 -0.292 0.000 1.109 356 L HN 0.240 nan 8.230 nan 0.000 0.462 357 E N 1.612 121.631 120.200 -0.302 0.000 2.263 357 E HA 0.394 4.744 4.350 0.000 0.000 0.268 357 E C -1.641 174.785 176.600 -0.289 0.000 0.884 357 E CA -0.409 55.892 56.400 -0.164 0.000 0.766 357 E CB 1.941 31.586 29.700 -0.092 0.000 1.196 357 E HN 0.241 nan 8.360 nan 0.000 0.416 358 F N 3.218 123.193 119.950 0.041 0.000 2.325 358 F HA 0.317 4.844 4.527 0.000 0.000 0.369 358 F C -1.815 174.058 175.800 0.120 0.000 1.095 358 F CA -2.221 55.824 58.000 0.076 0.000 1.082 358 F CB 1.452 40.489 39.000 0.063 0.000 1.289 358 F HN 0.344 nan 8.300 nan 0.000 0.462 359 P HA -0.024 nan 4.420 nan 0.000 0.230 359 P C -0.196 177.237 177.300 0.222 0.000 1.158 359 P CA 0.663 63.880 63.100 0.194 0.000 0.769 359 P CB 0.473 32.258 31.700 0.141 0.000 0.807 360 A N 0.121 123.124 122.820 0.304 0.000 2.457 360 A HA 0.556 4.877 4.320 0.000 0.000 0.283 360 A C -0.352 177.480 177.584 0.413 0.000 1.166 360 A CA -0.447 51.782 52.037 0.320 0.000 0.740 360 A CB 0.298 19.475 19.000 0.295 0.000 1.181 360 A HN 0.249 nan 8.150 nan 0.000 0.446 361 C N 0.975 120.456 119.300 0.302 0.000 3.253 361 C HA 0.488 4.948 4.460 0.000 0.000 0.230 361 C C -2.887 172.205 174.990 0.170 0.000 1.124 361 C CA -1.599 57.560 59.018 0.236 0.000 1.143 361 C CB -0.191 27.683 27.740 0.223 0.000 1.794 361 C HN 0.578 nan 8.230 nan 0.000 0.617 362 P HA 0.356 nan 4.420 nan 0.000 0.265 362 P C -0.611 176.660 177.300 -0.048 0.000 1.193 362 P CA 0.921 63.941 63.100 -0.135 0.000 0.765 362 P CB 0.547 32.167 31.700 -0.134 0.000 0.823 363 F N 0.329 120.184 119.950 -0.157 0.000 2.626 363 F HA 0.681 5.208 4.527 0.000 0.000 0.311 363 F C -0.778 174.908 175.800 -0.190 0.000 1.088 363 F CA -1.185 56.734 58.000 -0.134 0.000 0.949 363 F CB 1.685 40.481 39.000 -0.340 0.000 1.322 363 F HN 0.369 nan 8.300 nan 0.000 0.461 364 N N -0.139 118.647 118.700 0.144 0.000 2.610 364 N HA 0.748 5.488 4.740 0.000 0.000 0.264 364 N C -1.204 174.239 175.510 -0.113 0.000 1.348 364 N CA -0.408 52.642 53.050 0.001 0.000 0.819 364 N CB 2.000 40.522 38.487 0.059 0.000 1.521 364 N HN 1.074 nan 8.380 nan 0.000 0.497 365 G N -0.845 107.842 108.800 -0.187 0.000 3.265 365 G HA2 0.664 4.624 3.960 0.000 0.000 0.171 365 G HA3 0.664 4.624 3.960 0.000 0.000 0.171 365 G C -1.785 173.065 174.900 -0.085 0.000 1.110 365 G CA -0.559 44.345 45.100 -0.327 0.000 0.855 365 G HN 0.719 nan 8.290 nan 0.000 0.658 366 W N -1.778 119.492 121.300 -0.050 0.000 3.017 366 W HA 0.831 5.491 4.660 0.000 0.000 0.341 366 W C -1.558 174.917 176.519 -0.074 0.000 1.180 366 W CA -2.067 55.257 57.345 -0.035 0.000 1.097 366 W CB 0.363 29.852 29.460 0.049 0.000 1.468 366 W HN 0.408 nan 8.180 nan 0.000 0.584 367 Y N 1.959 122.436 120.300 0.294 0.000 2.300 367 Y HA 0.394 4.944 4.550 0.000 0.000 0.328 367 Y C 0.602 176.524 175.900 0.036 0.000 1.270 367 Y CA -0.834 57.300 58.100 0.057 0.000 1.352 367 Y CB 1.297 39.676 38.460 -0.135 0.000 1.286 367 Y HN 0.370 nan 8.280 nan 0.000 0.536 368 M N 1.771 121.481 119.600 0.184 0.000 2.181 368 M HA 0.359 4.839 4.480 0.000 0.000 0.323 368 M C 1.038 177.276 176.300 -0.103 0.000 1.004 368 M CA -0.221 55.109 55.300 0.051 0.000 0.941 368 M CB 1.335 33.955 32.600 0.033 0.000 1.579 368 M HN 0.860 nan 8.290 nan 0.000 0.427 369 G N 1.913 110.608 108.800 -0.176 0.000 2.679 369 G HA2 -0.385 3.575 3.960 0.000 0.000 0.222 369 G HA3 -0.385 3.575 3.960 0.000 0.000 0.222 369 G C 1.145 175.833 174.900 -0.353 0.000 1.164 369 G CA 2.168 47.089 45.100 -0.298 0.000 0.769 369 G HN 0.884 nan 8.290 nan 0.000 0.610 370 T N -0.820 113.529 114.554 -0.341 0.000 2.822 370 T HA -0.103 4.247 4.350 0.000 0.000 0.270 370 T C 1.937 176.424 174.700 -0.354 0.000 1.064 370 T CA 1.828 63.692 62.100 -0.393 0.000 1.131 370 T CB -0.369 68.207 68.868 -0.487 0.000 0.858 370 T HN 0.595 nan 8.240 nan 0.000 0.483 371 E N 0.881 120.894 120.200 -0.312 0.000 2.058 371 E HA -0.058 4.292 4.350 0.000 0.000 0.194 371 E C 2.102 178.377 176.600 -0.541 0.000 0.997 371 E CA 1.528 57.756 56.400 -0.287 0.000 0.801 371 E CB -0.299 29.378 29.700 -0.039 0.000 0.746 371 E HN 0.596 nan 8.360 nan 0.000 0.450 372 I N 0.349 120.433 120.570 -0.810 0.000 2.260 372 I HA -0.062 4.108 4.170 0.000 0.000 0.237 372 I C 2.651 178.146 176.117 -1.036 0.000 1.075 372 I CA 0.896 61.417 61.300 -1.298 0.000 1.376 372 I CB -0.712 36.439 38.000 -1.415 0.000 1.107 372 I HN 0.111 nan 8.210 nan 0.000 0.420 373 G N 0.708 109.139 108.800 -0.616 0.000 2.505 373 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 373 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 373 G C 1.572 176.388 174.900 -0.140 0.000 1.145 373 G CA 1.540 46.498 45.100 -0.237 0.000 0.761 373 G HN 0.252 nan 8.290 nan 0.000 0.571 374 V N 0.004 119.775 119.914 -0.239 0.000 2.490 374 V HA 0.079 4.200 4.120 0.000 0.000 0.238 374 V C 2.806 178.815 176.094 -0.141 0.000 1.056 374 V CA 1.055 63.257 62.300 -0.163 0.000 1.075 374 V CB -0.306 31.391 31.823 -0.210 0.000 0.746 374 V HN 0.127 nan 8.190 nan 0.000 0.479 375 R N 0.726 121.102 120.500 -0.208 0.000 2.055 375 R HA -0.048 4.292 4.340 0.000 0.000 0.228 375 R C 1.990 178.217 176.300 -0.121 0.000 1.143 375 R CA 1.557 57.565 56.100 -0.153 0.000 0.945 375 R CB -1.151 29.044 30.300 -0.175 0.000 0.841 375 R HN 0.471 nan 8.270 nan 0.000 0.429 376 D N 0.525 120.747 120.400 -0.297 0.000 2.092 376 D HA -0.146 4.494 4.640 0.000 0.000 0.193 376 D C 1.910 178.205 176.300 -0.009 0.000 0.994 376 D CA 1.243 55.044 54.000 -0.330 0.000 0.828 376 D CB -0.264 39.802 40.800 -1.222 0.000 0.963 376 D HN 0.094 nan 8.370 nan 0.000 0.450 377 F N 0.196 120.053 119.950 -0.155 0.000 2.270 377 F HA 0.019 4.547 4.527 0.000 0.000 0.295 377 F C 2.402 178.261 175.800 0.098 0.000 1.087 377 F CA -0.075 57.937 58.000 0.020 0.000 1.365 377 F CB -0.640 38.345 39.000 -0.025 0.000 1.056 377 F HN 0.049 nan 8.300 nan 0.000 0.506 378 C N -1.401 118.030 119.300 0.219 0.000 2.912 378 C HA 0.196 4.656 4.460 0.000 0.000 0.274 378 C C 0.418 175.467 174.990 0.097 0.000 1.248 378 C CA -0.792 58.315 59.018 0.149 0.000 1.694 378 C CB -0.684 27.111 27.740 0.092 0.000 2.024 378 C HN 0.079 nan 8.230 nan 0.000 0.605 379 D N 1.923 122.370 120.400 0.077 0.000 2.488 379 D HA 0.044 4.684 4.640 0.000 0.000 0.238 379 D C 1.583 177.931 176.300 0.080 0.000 1.138 379 D CA 0.595 54.627 54.000 0.053 0.000 0.873 379 D CB 0.960 41.786 40.800 0.044 0.000 1.183 379 D HN 0.436 nan 8.370 nan 0.000 0.458 380 T N -0.087 114.502 114.554 0.059 0.000 2.962 380 T HA -0.223 4.127 4.350 0.000 0.000 0.270 380 T C 1.289 176.025 174.700 0.060 0.000 1.088 380 T CA 0.823 62.962 62.100 0.065 0.000 1.127 380 T CB -0.024 68.875 68.868 0.053 0.000 0.883 380 T HN 0.499 nan 8.240 nan 0.000 0.493 381 Q N 0.359 120.192 119.800 0.056 0.000 2.365 381 Q HA 0.182 4.522 4.340 0.000 0.000 0.203 381 Q C 0.867 176.904 176.000 0.062 0.000 0.929 381 Q CA -0.148 55.686 55.803 0.051 0.000 0.948 381 Q CB 0.167 28.933 28.738 0.048 0.000 1.043 381 Q HN 0.395 nan 8.270 nan 0.000 0.505 382 R N -0.322 120.231 120.500 0.089 0.000 2.721 382 R HA 0.242 4.582 4.340 0.000 0.000 0.104 382 R C 1.236 177.579 176.300 0.071 0.000 1.052 382 R CA -0.348 55.830 56.100 0.130 0.000 0.852 382 R CB -1.045 29.405 30.300 0.251 0.000 0.799 382 R HN 0.077 nan 8.270 nan 0.000 0.373 383 Y N 1.744 122.188 120.300 0.240 0.000 2.583 383 Y HA -0.018 4.532 4.550 0.000 0.000 0.293 383 Y C 0.657 176.661 175.900 0.174 0.000 1.157 383 Y CA 0.479 58.730 58.100 0.250 0.000 1.315 383 Y CB -0.498 38.210 38.460 0.414 0.000 1.021 383 Y HN 0.453 nan 8.280 nan 0.000 0.536 384 N N 1.251 120.096 118.700 0.243 0.000 2.702 384 N HA -0.245 4.495 4.740 0.000 0.000 0.261 384 N C 0.510 176.125 175.510 0.174 0.000 0.965 384 N CA 0.850 54.004 53.050 0.174 0.000 0.795 384 N CB -1.218 37.337 38.487 0.114 0.000 0.909 384 N HN 0.677 nan 8.380 nan 0.000 0.546 385 I N -3.420 117.272 120.570 0.203 0.000 3.735 385 I HA 0.081 4.252 4.170 0.000 0.000 0.310 385 I C 1.575 177.801 176.117 0.182 0.000 1.270 385 I CA -0.318 61.078 61.300 0.159 0.000 1.207 385 I CB -0.099 37.961 38.000 0.099 0.000 1.013 385 I HN 0.122 nan 8.210 nan 0.000 0.452 386 L N 1.861 123.208 121.223 0.206 0.000 1.989 386 L HA -0.220 4.120 4.340 0.000 0.000 0.211 386 L C 2.576 179.674 176.870 0.379 0.000 1.071 386 L CA 2.325 57.322 54.840 0.262 0.000 0.749 386 L CB -0.709 41.467 42.059 0.195 0.000 0.890 386 L HN 0.524 nan 8.230 nan 0.000 0.431 387 E N -0.945 119.454 120.200 0.332 0.000 2.077 387 E HA -0.312 4.038 4.350 0.000 0.000 0.193 387 E C 2.069 178.700 176.600 0.051 0.000 0.989 387 E CA 1.333 57.851 56.400 0.197 0.000 0.800 387 E CB -0.097 29.647 29.700 0.074 0.000 0.746 387 E HN 0.543 nan 8.360 nan 0.000 0.452 388 E N 0.113 120.357 120.200 0.072 0.000 2.058 388 E HA -0.173 4.177 4.350 0.000 0.000 0.194 388 E C 1.976 178.611 176.600 0.058 0.000 0.997 388 E CA 1.713 58.130 56.400 0.029 0.000 0.801 388 E CB -0.191 29.536 29.700 0.045 0.000 0.746 388 E HN 0.211 nan 8.360 nan 0.000 0.450 389 V N 0.288 120.316 119.914 0.190 0.000 2.407 389 V HA -0.176 3.944 4.120 0.000 0.000 0.248 389 V C 2.306 178.541 176.094 0.234 0.000 1.055 389 V CA 1.804 64.309 62.300 0.343 0.000 1.049 389 V CB -1.229 30.869 31.823 0.459 0.000 0.662 389 V HN 0.482 nan 8.190 nan 0.000 0.455 390 G N 0.023 108.947 108.800 0.207 0.000 2.459 390 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 390 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 390 G C 1.746 176.574 174.900 -0.121 0.000 1.183 390 G CA 0.786 45.957 45.100 0.119 0.000 0.776 390 G HN 0.411 nan 8.290 nan 0.000 0.552 391 R N 0.038 120.412 120.500 -0.211 0.000 2.083 391 R HA -0.023 4.317 4.340 0.000 0.000 0.237 391 R C 2.714 178.821 176.300 -0.321 0.000 1.137 391 R CA 1.178 57.123 56.100 -0.257 0.000 0.951 391 R CB -0.324 29.841 30.300 -0.224 0.000 0.851 391 R HN 0.270 nan 8.270 nan 0.000 0.434 392 R N 0.065 120.306 120.500 -0.432 0.000 2.293 392 R HA -0.024 4.316 4.340 0.000 0.000 0.219 392 R C 1.813 177.531 176.300 -0.969 0.000 1.091 392 R CA 0.875 56.455 56.100 -0.866 0.000 1.004 392 R CB -0.052 29.418 30.300 -1.384 0.000 0.865 392 R HN 0.289 nan 8.270 nan 0.000 0.469 393 M N -0.616 118.698 119.600 -0.478 0.000 2.502 393 M HA 0.136 4.616 4.480 0.000 0.000 0.243 393 M C 0.543 176.724 176.300 -0.197 0.000 1.130 393 M CA 0.243 55.391 55.300 -0.253 0.000 1.055 393 M CB 0.867 33.502 32.600 0.058 0.000 1.457 393 M HN 0.286 nan 8.290 nan 0.000 0.488 394 G N 2.583 111.244 108.800 -0.233 0.000 2.333 394 G HA2 -0.230 3.730 3.960 0.000 0.000 0.296 394 G HA3 -0.230 3.730 3.960 0.000 0.000 0.296 394 G C -0.396 174.439 174.900 -0.108 0.000 1.059 394 G CA 0.008 45.004 45.100 -0.174 0.000 1.050 394 G HN 0.403 nan 8.290 nan 0.000 0.508 395 L N -1.300 119.857 121.223 -0.110 0.000 2.331 395 L HA 0.515 4.855 4.340 0.000 0.000 0.268 395 L C 0.899 177.678 176.870 -0.152 0.000 1.015 395 L CA -1.163 53.643 54.840 -0.057 0.000 0.807 395 L CB 1.063 43.158 42.059 0.059 0.000 1.293 395 L HN 0.194 nan 8.230 nan 0.000 0.451 396 E N 0.140 120.287 120.200 -0.088 0.000 2.222 396 E HA -0.026 4.324 4.350 0.000 0.000 0.312 396 E C 0.723 177.087 176.600 -0.394 0.000 1.263 396 E CA -0.006 56.322 56.400 -0.120 0.000 1.356 396 E CB -0.156 29.552 29.700 0.014 0.000 1.180 396 E HN 0.632 nan 8.360 nan 0.000 0.494 397 T N -1.931 112.132 114.554 -0.819 0.000 3.228 397 T HA -0.143 4.207 4.350 0.000 0.000 0.261 397 T C 0.936 175.018 174.700 -1.030 0.000 1.171 397 T CA 0.721 61.754 62.100 -1.779 0.000 1.056 397 T CB -0.081 67.784 68.868 -1.671 0.000 0.938 397 T HN 0.412 nan 8.240 nan 0.000 0.539 398 H N -0.093 118.778 119.070 -0.331 0.000 2.755 398 H HA 0.258 4.814 4.556 0.000 0.000 0.273 398 H C -0.077 175.269 175.328 0.030 0.000 1.055 398 H CA 0.059 56.048 56.048 -0.098 0.000 1.191 398 H CB 0.926 30.632 29.762 -0.094 0.000 1.536 398 H HN 0.355 nan 8.280 nan 0.000 0.529 399 T N 2.055 116.708 114.554 0.164 0.000 2.991 399 T HA 0.208 4.558 4.350 0.000 0.000 0.347 399 T C 1.499 176.390 174.700 0.319 0.000 1.122 399 T CA -0.301 61.919 62.100 0.200 0.000 1.062 399 T CB 1.414 70.367 68.868 0.142 0.000 1.043 399 T HN 0.101 nan 8.240 nan 0.000 0.491 400 L N 1.929 123.324 121.223 0.286 0.000 2.013 400 L HA -0.200 4.140 4.340 0.000 0.000 0.212 400 L C 2.807 179.758 176.870 0.135 0.000 1.073 400 L CA 1.639 56.613 54.840 0.223 0.000 0.753 400 L CB -0.410 41.724 42.059 0.124 0.000 0.890 400 L HN 0.741 nan 8.230 nan 0.000 0.432 401 A N -0.404 122.486 122.820 0.117 0.000 2.131 401 A HA -0.223 4.097 4.320 0.000 0.000 0.220 401 A C 2.362 180.003 177.584 0.095 0.000 1.158 401 A CA 1.752 53.838 52.037 0.081 0.000 0.665 401 A CB -0.624 18.418 19.000 0.070 0.000 0.795 401 A HN 0.605 nan 8.150 nan 0.000 0.460 402 S N -0.682 115.112 115.700 0.155 0.000 2.515 402 S HA 0.072 4.542 4.470 0.000 0.000 0.231 402 S C 0.914 175.605 174.600 0.150 0.000 0.987 402 S CA 0.741 59.040 58.200 0.166 0.000 0.936 402 S CB -0.730 62.607 63.200 0.228 0.000 0.766 402 S HN 0.889 nan 8.310 nan 0.000 0.528 403 L N 0.160 121.439 121.223 0.094 0.000 4.040 403 L HA -0.184 4.156 4.340 0.000 0.000 0.410 403 L C 1.695 178.582 176.870 0.029 0.000 1.187 403 L CA 0.804 55.646 54.840 0.003 0.000 0.956 403 L CB -2.676 39.395 42.059 0.020 0.000 2.022 403 L HN 0.749 nan 8.230 nan 0.000 0.897 404 W N 0.465 121.783 121.300 0.030 0.000 2.358 404 W HA -0.172 4.488 4.660 0.000 0.000 0.303 404 W C 1.762 178.307 176.519 0.045 0.000 1.208 404 W CA 1.466 58.831 57.345 0.034 0.000 1.274 404 W CB -0.864 28.607 29.460 0.018 0.000 1.138 404 W HN 0.245 nan 8.180 nan 0.000 0.515 405 K N 0.837 120.731 120.400 -0.843 0.000 2.074 405 K HA -0.189 4.131 4.320 0.000 0.000 0.209 405 K C 1.623 178.071 176.600 -0.253 0.000 1.048 405 K CA 2.189 58.001 56.287 -0.792 0.000 0.926 405 K CB -0.480 31.417 32.500 -1.004 0.000 0.713 405 K HN 0.161 nan 8.250 nan 0.000 0.444 406 D N 0.427 120.720 120.400 -0.178 0.000 2.144 406 D HA -0.144 4.496 4.640 0.000 0.000 0.199 406 D C 2.031 178.342 176.300 0.018 0.000 0.984 406 D CA 1.065 55.026 54.000 -0.064 0.000 0.834 406 D CB -0.033 40.740 40.800 -0.045 0.000 0.955 406 D HN 0.234 nan 8.370 nan 0.000 0.465 407 R N 0.748 121.289 120.500 0.069 0.000 2.073 407 R HA -0.007 4.333 4.340 0.000 0.000 0.229 407 R C 2.429 178.836 176.300 0.179 0.000 1.120 407 R CA 0.987 57.167 56.100 0.132 0.000 0.967 407 R CB -0.168 30.234 30.300 0.171 0.000 0.862 407 R HN 0.063 nan 8.270 nan 0.000 0.436 408 A N 0.691 123.639 122.820 0.213 0.000 1.835 408 A HA -0.159 4.161 4.320 0.000 0.000 0.215 408 A C 2.242 179.947 177.584 0.202 0.000 1.199 408 A CA 1.612 53.813 52.037 0.273 0.000 0.615 408 A CB -1.074 18.127 19.000 0.335 0.000 0.838 408 A HN 0.201 nan 8.150 nan 0.000 0.444 409 V N 0.166 120.151 119.914 0.118 0.000 2.439 409 V HA -0.264 3.856 4.120 0.000 0.000 0.253 409 V C 2.506 178.633 176.094 0.056 0.000 1.074 409 V CA 3.055 65.399 62.300 0.073 0.000 1.076 409 V CB -0.936 30.889 31.823 0.003 0.000 0.664 409 V HN 0.681 nan 8.190 nan 0.000 0.461 410 T N -0.448 114.145 114.554 0.064 0.000 2.821 410 T HA -0.107 4.243 4.350 0.000 0.000 0.267 410 T C 1.783 176.502 174.700 0.032 0.000 1.046 410 T CA 1.378 63.508 62.100 0.051 0.000 1.139 410 T CB -0.222 68.684 68.868 0.063 0.000 0.871 410 T HN 0.515 nan 8.240 nan 0.000 0.454 411 E N 1.121 121.374 120.200 0.088 0.000 2.072 411 E HA 0.003 4.353 4.350 0.000 0.000 0.191 411 E C 2.250 178.800 176.600 -0.083 0.000 0.985 411 E CA 0.725 57.171 56.400 0.076 0.000 0.801 411 E CB -0.444 29.418 29.700 0.270 0.000 0.750 411 E HN 0.523 nan 8.360 nan 0.000 0.452 412 I N 1.653 122.243 120.570 0.033 0.000 2.226 412 I HA -0.279 3.891 4.170 0.000 0.000 0.245 412 I C 2.066 178.153 176.117 -0.049 0.000 1.100 412 I CA 0.911 62.231 61.300 0.033 0.000 1.374 412 I CB -0.397 37.744 38.000 0.235 0.000 1.057 412 I HN 0.040 nan 8.210 nan 0.000 0.413 413 N N 0.700 119.371 118.700 -0.048 0.000 2.104 413 N HA -0.133 4.607 4.740 0.000 0.000 0.190 413 N C 1.957 177.395 175.510 -0.121 0.000 1.024 413 N CA 1.208 54.206 53.050 -0.086 0.000 0.853 413 N CB -0.330 38.120 38.487 -0.063 0.000 1.008 413 N HN 0.174 nan 8.380 nan 0.000 0.424 414 V N 1.579 121.386 119.914 -0.180 0.000 2.343 414 V HA -0.186 3.934 4.120 0.000 0.000 0.247 414 V C 2.424 178.301 176.094 -0.363 0.000 1.051 414 V CA 1.718 63.855 62.300 -0.272 0.000 1.036 414 V CB -0.873 30.717 31.823 -0.388 0.000 0.654 414 V HN 0.280 nan 8.190 nan 0.000 0.451 415 A N -0.140 122.370 122.820 -0.516 0.000 1.858 415 A HA -0.170 4.150 4.320 0.000 0.000 0.216 415 A C 2.411 179.928 177.584 -0.112 0.000 1.190 415 A CA 2.164 53.901 52.037 -0.500 0.000 0.617 415 A CB -0.783 17.632 19.000 -0.975 0.000 0.827 415 A HN 0.309 nan 8.150 nan 0.000 0.443 416 V N 0.251 120.141 119.914 -0.041 0.000 2.231 416 V HA -0.311 3.809 4.120 0.000 0.000 0.248 416 V C 2.616 178.746 176.094 0.059 0.000 1.054 416 V CA 2.218 64.556 62.300 0.064 0.000 1.015 416 V CB -0.866 30.909 31.823 -0.079 0.000 0.638 416 V HN 0.582 nan 8.190 nan 0.000 0.444 417 L N -0.637 120.559 121.223 -0.045 0.000 2.042 417 L HA -0.240 4.101 4.340 0.000 0.000 0.210 417 L C 2.636 179.526 176.870 0.035 0.000 1.076 417 L CA 2.154 56.976 54.840 -0.030 0.000 0.749 417 L CB -0.939 41.094 42.059 -0.043 0.000 0.893 417 L HN 0.535 nan 8.230 nan 0.000 0.432 418 H N -0.230 118.790 119.070 -0.084 0.000 2.353 418 H HA -0.136 4.420 4.556 0.000 0.000 0.300 418 H C 2.284 177.600 175.328 -0.019 0.000 1.090 418 H CA 1.804 57.799 56.048 -0.088 0.000 1.327 418 H CB 0.384 30.028 29.762 -0.197 0.000 1.383 418 H HN 0.256 nan 8.280 nan 0.000 0.508 419 S N 0.290 115.950 115.700 -0.066 0.000 2.356 419 S HA -0.115 4.355 4.470 0.000 0.000 0.223 419 S C 1.966 176.539 174.600 -0.045 0.000 1.032 419 S CA 1.196 59.347 58.200 -0.081 0.000 1.005 419 S CB -0.523 62.718 63.200 0.068 0.000 0.867 419 S HN 0.294 nan 8.310 nan 0.000 0.449 420 F N 2.091 121.978 119.950 -0.105 0.000 2.171 420 F HA -0.110 4.417 4.527 0.000 0.000 0.300 420 F C 2.623 178.362 175.800 -0.102 0.000 1.090 420 F CA 1.062 59.015 58.000 -0.078 0.000 1.293 420 F CB -0.529 38.439 39.000 -0.053 0.000 1.013 420 F HN 0.243 nan 8.300 nan 0.000 0.486 421 Q N -0.399 119.431 119.800 0.051 0.000 2.049 421 Q HA -0.208 4.132 4.340 0.000 0.000 0.198 421 Q C 2.158 178.096 176.000 -0.102 0.000 0.971 421 Q CA 1.371 57.154 55.803 -0.032 0.000 0.833 421 Q CB -0.232 28.478 28.738 -0.048 0.000 0.896 421 Q HN 0.138 nan 8.270 nan 0.000 0.434 422 K N 1.300 121.575 120.400 -0.208 0.000 2.044 422 K HA -0.190 4.130 4.320 0.000 0.000 0.210 422 K C 1.367 177.885 176.600 -0.136 0.000 1.049 422 K CA 1.600 57.751 56.287 -0.226 0.000 0.927 422 K CB 0.082 32.360 32.500 -0.371 0.000 0.713 422 K HN 0.130 nan 8.250 nan 0.000 0.443 423 Q N 0.352 120.072 119.800 -0.133 0.000 2.247 423 Q HA 0.158 4.498 4.340 0.000 0.000 0.205 423 Q C -0.642 175.303 176.000 -0.092 0.000 0.896 423 Q CA -0.139 55.596 55.803 -0.114 0.000 0.950 423 Q CB 0.311 28.959 28.738 -0.149 0.000 1.054 423 Q HN 0.299 nan 8.270 nan 0.000 0.482 424 N N -0.173 118.485 118.700 -0.070 0.000 2.721 424 N HA -0.150 4.590 4.740 0.000 0.000 0.249 424 N C -1.200 174.289 175.510 -0.035 0.000 1.072 424 N CA 0.600 53.620 53.050 -0.050 0.000 0.710 424 N CB -1.342 37.115 38.487 -0.050 0.000 0.993 424 N HN 0.052 nan 8.380 nan 0.000 0.547 425 V N 0.948 120.858 119.914 -0.006 0.000 2.398 425 V HA 0.223 4.343 4.120 0.000 0.000 0.286 425 V C 0.920 177.120 176.094 0.178 0.000 1.026 425 V CA -0.590 61.746 62.300 0.060 0.000 0.868 425 V CB 1.931 33.730 31.823 -0.040 0.000 0.982 425 V HN 0.147 nan 8.190 nan 0.000 0.443 426 T N 6.680 121.276 114.554 0.071 0.000 2.871 426 T HA 0.382 4.732 4.350 0.000 0.000 0.296 426 T C -0.235 174.480 174.700 0.026 0.000 0.998 426 T CA 0.939 62.990 62.100 -0.082 0.000 1.162 426 T CB -0.043 68.626 68.868 -0.333 0.000 0.947 426 T HN 0.575 nan 8.240 nan 0.000 0.536 427 I N 2.585 123.102 120.570 -0.088 0.000 2.984 427 I HA 0.635 4.805 4.170 0.000 0.000 0.303 427 I C -1.648 174.435 176.117 -0.056 0.000 1.381 427 I CA -1.207 60.042 61.300 -0.084 0.000 0.988 427 I CB 2.166 39.971 38.000 -0.324 0.000 1.307 427 I HN 0.661 nan 8.210 nan 0.000 0.460 428 M N 5.817 125.440 119.600 0.039 0.000 2.326 428 M HA 0.379 4.859 4.480 0.000 0.000 0.292 428 M C -1.615 174.723 176.300 0.063 0.000 1.081 428 M CA -0.605 54.745 55.300 0.084 0.000 0.919 428 M CB 1.605 34.343 32.600 0.229 0.000 1.634 428 M HN 0.606 nan 8.290 nan 0.000 0.451 429 D N 3.508 123.948 120.400 0.067 0.000 2.344 429 D HA 0.024 4.664 4.640 0.000 0.000 0.244 429 D C 0.632 177.017 176.300 0.141 0.000 1.134 429 D CA -0.130 53.943 54.000 0.121 0.000 0.930 429 D CB 0.567 41.442 40.800 0.124 0.000 1.175 429 D HN 0.859 nan 8.370 nan 0.000 0.437 430 H N 0.590 119.601 119.070 -0.099 0.000 2.456 430 H HA -0.141 4.415 4.556 0.000 0.000 0.296 430 H C 1.344 176.570 175.328 -0.170 0.000 1.079 430 H CA 1.224 57.173 56.048 -0.164 0.000 1.322 430 H CB -0.758 28.848 29.762 -0.260 0.000 1.388 430 H HN 0.534 nan 8.280 nan 0.000 0.538 431 H N 0.897 119.787 119.070 -0.301 0.000 2.299 431 H HA -0.042 4.514 4.556 0.000 0.000 0.302 431 H C 1.976 177.273 175.328 -0.052 0.000 1.078 431 H CA 2.011 57.935 56.048 -0.207 0.000 1.323 431 H CB -0.304 29.307 29.762 -0.251 0.000 1.381 431 H HN 0.393 nan 8.280 nan 0.000 0.498 432 T N 1.304 115.919 114.554 0.100 0.000 2.746 432 T HA -0.115 4.236 4.350 0.000 0.000 0.267 432 T C 2.350 177.114 174.700 0.107 0.000 1.039 432 T CA 1.231 63.386 62.100 0.091 0.000 1.142 432 T CB -0.468 68.449 68.868 0.082 0.000 0.866 432 T HN 0.433 nan 8.240 nan 0.000 0.444 433 A N 1.469 124.353 122.820 0.107 0.000 1.883 433 A HA -0.136 4.184 4.320 0.000 0.000 0.217 433 A C 2.637 180.307 177.584 0.143 0.000 1.186 433 A CA 2.111 54.226 52.037 0.129 0.000 0.624 433 A CB -0.992 18.072 19.000 0.107 0.000 0.822 433 A HN 0.444 nan 8.150 nan 0.000 0.444 434 S N -0.259 115.505 115.700 0.106 0.000 2.348 434 S HA -0.175 4.295 4.470 0.000 0.000 0.221 434 S C 1.860 176.564 174.600 0.174 0.000 1.033 434 S CA 1.523 59.803 58.200 0.134 0.000 1.010 434 S CB -0.399 62.847 63.200 0.077 0.000 0.891 434 S HN 0.702 nan 8.310 nan 0.000 0.442 435 E N 0.816 121.095 120.200 0.131 0.000 2.118 435 E HA -0.137 4.213 4.350 0.000 0.000 0.195 435 E C 2.235 178.908 176.600 0.121 0.000 0.992 435 E CA 1.162 57.631 56.400 0.114 0.000 0.804 435 E CB -0.251 29.500 29.700 0.085 0.000 0.741 435 E HN 0.387 nan 8.360 nan 0.000 0.458 436 S N 0.305 116.089 115.700 0.141 0.000 2.355 436 S HA -0.162 4.308 4.470 0.000 0.000 0.222 436 S C 1.720 176.424 174.600 0.174 0.000 1.031 436 S CA 0.822 59.109 58.200 0.145 0.000 0.993 436 S CB -0.278 63.017 63.200 0.158 0.000 0.859 436 S HN 0.313 nan 8.310 nan 0.000 0.453 437 F N 1.918 121.925 119.950 0.095 0.000 2.134 437 F HA -0.042 4.485 4.527 0.000 0.000 0.299 437 F C 2.082 177.970 175.800 0.148 0.000 1.097 437 F CA 1.459 59.532 58.000 0.122 0.000 1.264 437 F CB -0.350 38.701 39.000 0.085 0.000 1.001 437 F HN 0.190 nan 8.300 nan 0.000 0.479 438 M N 0.252 119.890 119.600 0.063 0.000 2.108 438 M HA -0.202 4.278 4.480 0.000 0.000 0.261 438 M C 2.221 178.470 176.300 -0.085 0.000 1.066 438 M CA 1.645 56.934 55.300 -0.020 0.000 1.107 438 M CB -1.297 31.352 32.600 0.082 0.000 1.356 438 M HN 0.090 nan 8.290 nan 0.000 0.406 439 K N -0.450 119.937 120.400 -0.023 0.000 2.057 439 K HA -0.199 4.121 4.320 0.000 0.000 0.207 439 K C 1.998 178.564 176.600 -0.056 0.000 1.049 439 K CA 1.780 58.055 56.287 -0.020 0.000 0.931 439 K CB -0.606 31.909 32.500 0.025 0.000 0.714 439 K HN 0.428 nan 8.250 nan 0.000 0.440 440 H N -0.290 118.679 119.070 -0.169 0.000 2.321 440 H HA -0.047 4.509 4.556 0.000 0.000 0.300 440 H C 2.015 177.174 175.328 -0.282 0.000 1.087 440 H CA 2.454 58.380 56.048 -0.203 0.000 1.319 440 H CB -0.158 29.467 29.762 -0.229 0.000 1.379 440 H HN 0.264 nan 8.280 nan 0.000 0.501 441 M N -0.056 119.189 119.600 -0.592 0.000 2.117 441 M HA -0.223 4.257 4.480 0.000 0.000 0.262 441 M C 2.178 178.377 176.300 -0.168 0.000 1.065 441 M CA 1.946 56.958 55.300 -0.480 0.000 1.114 441 M CB -0.013 32.331 32.600 -0.425 0.000 1.361 441 M HN 0.447 nan 8.290 nan 0.000 0.408 442 Q N 0.038 119.754 119.800 -0.141 0.000 2.084 442 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 442 Q C 1.729 177.692 176.000 -0.060 0.000 0.978 442 Q CA 1.684 57.452 55.803 -0.059 0.000 0.844 442 Q CB -0.248 28.448 28.738 -0.069 0.000 0.898 442 Q HN 0.579 nan 8.270 nan 0.000 0.426 443 N N 0.478 119.099 118.700 -0.133 0.000 2.120 443 N HA -0.156 4.584 4.740 0.000 0.000 0.188 443 N C 1.561 176.974 175.510 -0.162 0.000 1.024 443 N CA 1.011 53.990 53.050 -0.118 0.000 0.852 443 N CB -0.157 38.270 38.487 -0.102 0.000 1.003 443 N HN 0.241 nan 8.380 nan 0.000 0.424 444 E N 0.164 120.176 120.200 -0.314 0.000 2.110 444 E HA -0.138 4.212 4.350 0.000 0.000 0.193 444 E C 1.803 178.233 176.600 -0.283 0.000 0.988 444 E CA 0.759 56.940 56.400 -0.365 0.000 0.804 444 E CB -0.363 29.000 29.700 -0.562 0.000 0.745 444 E HN 0.510 nan 8.360 nan 0.000 0.458 445 Y N 0.875 121.076 120.300 -0.165 0.000 2.293 445 Y HA -0.120 4.430 4.550 0.000 0.000 0.291 445 Y C 2.533 178.391 175.900 -0.070 0.000 1.137 445 Y CA 1.226 59.269 58.100 -0.096 0.000 1.202 445 Y CB 0.035 38.439 38.460 -0.093 0.000 0.990 445 Y HN -0.024 nan 8.280 nan 0.000 0.537 446 R N -0.701 119.820 120.500 0.035 0.000 2.062 446 R HA -0.041 4.299 4.340 0.000 0.000 0.226 446 R C 2.553 178.841 176.300 -0.019 0.000 1.125 446 R CA 0.987 57.094 56.100 0.012 0.000 0.966 446 R CB -0.589 29.711 30.300 0.000 0.000 0.861 446 R HN 0.251 nan 8.270 nan 0.000 0.433 447 A N 1.885 124.674 122.820 -0.053 0.000 1.865 447 A HA -0.194 4.126 4.320 0.000 0.000 0.217 447 A C 1.697 179.242 177.584 -0.065 0.000 1.191 447 A CA 1.863 53.867 52.037 -0.056 0.000 0.623 447 A CB -0.242 18.712 19.000 -0.077 0.000 0.826 447 A HN 0.454 nan 8.150 nan 0.000 0.444 448 R N -2.698 117.734 120.500 -0.113 0.000 2.563 448 R HA 0.415 4.755 4.340 0.000 0.000 0.443 448 R C 0.574 176.801 176.300 -0.121 0.000 0.956 448 R CA 0.244 56.283 56.100 -0.102 0.000 1.141 448 R CB -0.825 29.407 30.300 -0.114 0.000 1.553 448 R HN 0.961 nan 8.270 nan 0.000 0.577 449 G N 0.223 108.947 108.800 -0.127 0.000 2.370 449 G HA2 0.084 4.044 3.960 0.000 0.000 0.293 449 G HA3 0.084 4.044 3.960 0.000 0.000 0.293 449 G C 0.275 174.976 174.900 -0.331 0.000 0.992 449 G CA 0.300 45.338 45.100 -0.103 0.000 1.247 449 G HN 1.008 nan 8.290 nan 0.000 0.505 450 G N -2.090 106.118 108.800 -0.987 0.000 2.329 450 G HA2 0.518 4.478 3.960 0.000 0.000 0.308 450 G HA3 0.518 4.478 3.960 0.000 0.000 0.308 450 G C -0.652 173.788 174.900 -0.766 0.000 1.587 450 G CA 0.164 44.621 45.100 -1.071 0.000 0.978 450 G HN 2.060 nan 8.290 nan 0.000 0.685 451 C N 3.372 122.401 119.300 -0.452 0.000 2.789 451 C HA 0.696 5.156 4.460 0.000 0.000 0.367 451 C C -2.423 172.481 174.990 -0.144 0.000 1.062 451 C CA -1.229 57.654 59.018 -0.226 0.000 1.297 451 C CB 1.147 28.789 27.740 -0.162 0.000 1.794 451 C HN 0.750 nan 8.230 nan 0.000 0.474 452 P HA 0.366 nan 4.420 nan 0.000 0.267 452 P C -0.638 176.541 177.300 -0.201 0.000 1.209 452 P CA 0.665 63.341 63.100 -0.706 0.000 0.763 452 P CB 0.985 32.180 31.700 -0.843 0.000 0.816 453 A N 2.697 125.461 122.820 -0.095 0.000 2.459 453 A HA 0.386 4.706 4.320 0.000 0.000 0.296 453 A C -1.007 176.634 177.584 0.095 0.000 1.039 453 A CA -0.556 51.528 52.037 0.077 0.000 0.698 453 A CB 1.247 20.405 19.000 0.263 0.000 1.261 453 A HN 0.455 nan 8.150 nan 0.000 0.405 454 D N 2.252 122.706 120.400 0.090 0.000 2.485 454 D HA 0.124 4.764 4.640 0.000 0.000 0.221 454 D C 0.852 177.298 176.300 0.243 0.000 1.112 454 D CA -0.513 53.591 54.000 0.172 0.000 0.911 454 D CB 0.277 41.145 40.800 0.113 0.000 1.019 454 D HN 0.620 nan 8.370 nan 0.000 0.516 455 W N 4.390 125.738 121.300 0.081 0.000 2.304 455 W HA -0.267 4.393 4.660 0.000 0.000 0.315 455 W C 1.773 178.337 176.519 0.075 0.000 1.233 455 W CA 1.391 58.770 57.345 0.056 0.000 1.261 455 W CB -0.096 29.379 29.460 0.025 0.000 1.150 455 W HN 0.464 nan 8.180 nan 0.000 0.494 456 I N -1.158 119.735 120.570 0.538 0.000 2.315 456 I HA -0.317 3.853 4.170 0.000 0.000 0.251 456 I C 1.823 178.081 176.117 0.234 0.000 1.125 456 I CA 1.525 63.079 61.300 0.423 0.000 1.392 456 I CB -0.680 37.572 38.000 0.421 0.000 1.065 456 I HN 0.125 nan 8.210 nan 0.000 0.424 457 W N 0.238 121.541 121.300 0.006 0.000 2.630 457 W HA 0.126 4.786 4.660 0.000 0.000 0.271 457 W C 2.277 178.702 176.519 -0.158 0.000 1.244 457 W CA 0.279 57.592 57.345 -0.053 0.000 1.353 457 W CB -0.332 29.117 29.460 -0.018 0.000 1.080 457 W HN -0.061 nan 8.180 nan 0.000 0.594 458 L N -0.207 120.996 121.223 -0.034 0.000 2.156 458 L HA -0.042 4.298 4.340 0.000 0.000 0.208 458 L C 0.643 177.324 176.870 -0.315 0.000 1.095 458 L CA 0.412 55.102 54.840 -0.250 0.000 0.770 458 L CB -0.994 40.823 42.059 -0.403 0.000 0.914 458 L HN -0.400 nan 8.230 nan 0.000 0.439 459 V N 1.533 121.184 119.914 -0.438 0.000 2.470 459 V HA 0.108 4.228 4.120 0.000 0.000 0.276 459 V C -1.840 174.092 176.094 -0.272 0.000 1.040 459 V CA -1.300 60.728 62.300 -0.453 0.000 1.008 459 V CB 0.350 31.689 31.823 -0.806 0.000 0.990 459 V HN 0.040 nan 8.190 nan 0.000 0.477 460 P HA 0.046 nan 4.420 nan 0.000 0.266 460 P C -1.706 175.492 177.300 -0.170 0.000 1.193 460 P CA -0.846 62.156 63.100 -0.164 0.000 0.770 460 P CB 0.059 31.711 31.700 -0.080 0.000 0.836 461 P HA -0.067 nan 4.420 nan 0.000 0.231 461 P C -0.069 177.141 177.300 -0.149 0.000 1.158 461 P CA 1.060 64.053 63.100 -0.180 0.000 0.763 461 P CB 0.080 31.654 31.700 -0.209 0.000 0.805 462 V N -5.556 114.264 119.914 -0.156 0.000 3.049 462 V HA 0.575 4.695 4.120 0.000 0.000 0.309 462 V C 0.206 176.286 176.094 -0.023 0.000 1.148 462 V CA -0.583 61.658 62.300 -0.098 0.000 0.990 462 V CB 1.361 33.110 31.823 -0.124 0.000 1.039 462 V HN 0.048 nan 8.190 nan 0.000 0.430 463 S N 0.205 115.902 115.700 -0.004 0.000 3.559 463 S HA -0.191 4.279 4.470 0.000 0.000 0.369 463 S C 1.380 175.945 174.600 -0.059 0.000 0.987 463 S CA 1.221 59.422 58.200 0.002 0.000 1.187 463 S CB -2.202 61.057 63.200 0.098 0.000 0.914 463 S HN 2.519 nan 8.310 nan 0.000 0.480 464 G N 2.819 111.560 108.800 -0.099 0.000 2.679 464 G HA2 -0.273 3.688 3.960 0.000 0.000 0.217 464 G HA3 -0.273 3.688 3.960 0.000 0.000 0.217 464 G C 1.588 176.271 174.900 -0.361 0.000 1.267 464 G CA 1.789 46.813 45.100 -0.126 0.000 0.799 464 G HN 1.736 nan 8.290 nan 0.000 0.606 465 S N 0.221 115.346 115.700 -0.958 0.000 2.507 465 S HA 0.047 4.517 4.470 0.000 0.000 0.235 465 S C 2.007 176.501 174.600 -0.177 0.000 0.988 465 S CA 0.699 58.190 58.200 -1.180 0.000 0.944 465 S CB -0.090 62.317 63.200 -1.322 0.000 0.762 465 S HN 0.207 nan 8.310 nan 0.000 0.526 466 I N 2.837 123.344 120.570 -0.106 0.000 3.251 466 I HA 0.055 4.225 4.170 0.000 0.000 0.277 466 I C 1.331 177.517 176.117 0.114 0.000 1.268 466 I CA 0.608 61.934 61.300 0.043 0.000 1.449 466 I CB -1.887 36.155 38.000 0.070 0.000 1.083 466 I HN 0.509 nan 8.210 nan 0.000 0.464 467 T N -1.387 113.219 114.554 0.086 0.000 2.945 467 T HA 0.381 4.731 4.350 0.000 0.000 0.286 467 T C -1.522 173.315 174.700 0.227 0.000 1.025 467 T CA -1.718 60.452 62.100 0.118 0.000 1.039 467 T CB 2.433 71.314 68.868 0.022 0.000 1.068 467 T HN -0.123 nan 8.240 nan 0.000 0.497 468 P HA -0.039 nan 4.420 nan 0.000 0.222 468 P C 1.858 179.343 177.300 0.308 0.000 1.153 468 P CA 0.904 64.183 63.100 0.298 0.000 0.798 468 P CB -0.349 31.468 31.700 0.196 0.000 0.796 469 V N -3.174 116.865 119.914 0.209 0.000 2.469 469 V HA -0.231 3.889 4.120 0.000 0.000 0.251 469 V C 2.351 178.506 176.094 0.102 0.000 1.064 469 V CA 1.485 63.875 62.300 0.151 0.000 1.066 469 V CB -2.333 29.498 31.823 0.013 0.000 0.667 469 V HN -0.108 nan 8.190 nan 0.000 0.461 470 F N 1.864 121.763 119.950 -0.084 0.000 2.171 470 F HA -0.126 4.401 4.527 0.000 0.000 0.300 470 F C 2.354 178.258 175.800 0.174 0.000 1.090 470 F CA 2.093 60.044 58.000 -0.081 0.000 1.293 470 F CB -0.323 38.530 39.000 -0.244 0.000 1.013 470 F HN 0.301 nan 8.300 nan 0.000 0.486 471 H N -0.829 118.583 119.070 0.569 0.000 2.524 471 H HA 0.133 4.689 4.556 0.000 0.000 0.280 471 H C 0.143 175.716 175.328 0.408 0.000 1.018 471 H CA 0.098 56.437 56.048 0.485 0.000 1.165 471 H CB -0.142 29.883 29.762 0.437 0.000 1.411 471 H HN 0.244 nan 8.280 nan 0.000 0.569 472 Q N 1.981 122.052 119.800 0.452 0.000 2.347 472 Q HA 0.164 4.504 4.340 0.000 0.000 0.262 472 Q C -0.627 175.589 176.000 0.359 0.000 0.980 472 Q CA -0.457 55.551 55.803 0.342 0.000 0.867 472 Q CB 0.818 29.727 28.738 0.285 0.000 1.242 472 Q HN 0.246 nan 8.270 nan 0.000 0.453 473 E N 3.776 124.124 120.200 0.247 0.000 2.373 473 E HA 0.282 4.632 4.350 0.000 0.000 0.267 473 E C -0.424 176.286 176.600 0.184 0.000 1.032 473 E CA 0.261 56.768 56.400 0.177 0.000 0.889 473 E CB 0.850 30.634 29.700 0.140 0.000 0.984 473 E HN 0.601 nan 8.360 nan 0.000 0.425 474 M N 1.912 121.632 119.600 0.200 0.000 2.658 474 M HA 0.435 4.915 4.480 0.000 0.000 0.295 474 M C -1.300 175.108 176.300 0.181 0.000 1.248 474 M CA -1.123 54.315 55.300 0.230 0.000 0.843 474 M CB 1.460 34.250 32.600 0.317 0.000 1.749 474 M HN 0.213 nan 8.290 nan 0.000 0.464 475 L N 1.895 123.240 121.223 0.203 0.000 2.362 475 L HA 0.512 4.852 4.340 0.000 0.000 0.275 475 L C -0.891 176.050 176.870 0.117 0.000 0.998 475 L CA -0.199 54.762 54.840 0.201 0.000 0.820 475 L CB 1.634 43.877 42.059 0.307 0.000 1.270 475 L HN 0.599 nan 8.230 nan 0.000 0.415 476 N N 3.218 121.960 118.700 0.070 0.000 2.417 476 N HA 0.595 5.335 4.740 0.000 0.000 0.274 476 N C -1.634 173.649 175.510 -0.378 0.000 0.987 476 N CA -0.237 52.737 53.050 -0.127 0.000 0.912 476 N CB 0.752 39.286 38.487 0.079 0.000 1.177 476 N HN 0.391 nan 8.380 nan 0.000 0.490 477 Y N -0.091 119.939 120.300 -0.450 0.000 2.609 477 Y HA 0.617 5.167 4.550 0.000 0.000 0.336 477 Y C -1.201 174.434 175.900 -0.442 0.000 1.129 477 Y CA -1.359 56.348 58.100 -0.656 0.000 1.040 477 Y CB 0.672 38.906 38.460 -0.377 0.000 1.310 477 Y HN 0.004 nan 8.280 nan 0.000 0.460 478 V N 3.996 123.715 119.914 -0.326 0.000 2.333 478 V HA 0.373 4.493 4.120 0.000 0.000 0.274 478 V C 0.138 176.058 176.094 -0.290 0.000 1.028 478 V CA -0.443 61.544 62.300 -0.521 0.000 0.851 478 V CB 0.441 31.802 31.823 -0.770 0.000 1.000 478 V HN 0.712 nan 8.190 nan 0.000 0.456 479 L N 2.898 124.024 121.223 -0.162 0.000 2.751 479 L HA 0.719 5.060 4.340 0.000 0.000 0.241 479 L C 0.365 177.223 176.870 -0.019 0.000 1.146 479 L CA -0.437 54.394 54.840 -0.015 0.000 0.879 479 L CB 1.445 43.541 42.059 0.061 0.000 1.687 479 L HN 0.607 nan 8.230 nan 0.000 0.527 480 S N -0.901 114.823 115.700 0.040 0.000 2.546 480 S HA 0.522 4.992 4.470 0.000 0.000 0.272 480 S C -2.673 171.969 174.600 0.070 0.000 1.140 480 S CA -1.089 57.145 58.200 0.055 0.000 0.920 480 S CB 1.936 65.154 63.200 0.031 0.000 1.083 480 S HN 0.149 nan 8.310 nan 0.000 0.476 481 P HA 0.407 nan 4.420 nan 0.000 0.269 481 P C -1.289 175.981 177.300 -0.050 0.000 1.217 481 P CA -0.016 63.038 63.100 -0.078 0.000 0.783 481 P CB 0.239 31.815 31.700 -0.207 0.000 0.898 482 F N 0.599 120.365 119.950 -0.306 0.000 2.654 482 F HA 0.428 4.955 4.527 0.000 0.000 0.308 482 F C -1.614 173.919 175.800 -0.446 0.000 1.108 482 F CA -0.773 56.974 58.000 -0.422 0.000 0.957 482 F CB 1.183 39.920 39.000 -0.437 0.000 1.309 482 F HN 0.157 nan 8.300 nan 0.000 0.446 483 Y N 4.410 124.242 120.300 -0.780 0.000 2.385 483 Y HA 0.437 4.987 4.550 0.000 0.000 0.341 483 Y C -0.897 174.711 175.900 -0.487 0.000 0.965 483 Y CA -0.707 57.129 58.100 -0.442 0.000 1.180 483 Y CB 0.302 38.489 38.460 -0.455 0.000 1.139 483 Y HN 0.373 nan 8.280 nan 0.000 0.502 484 Y N 1.287 121.647 120.300 0.101 0.000 2.488 484 Y HA 0.398 4.948 4.550 0.000 0.000 0.325 484 Y C -0.213 175.712 175.900 0.041 0.000 1.204 484 Y CA -1.053 57.101 58.100 0.090 0.000 1.229 484 Y CB 0.782 39.346 38.460 0.173 0.000 1.274 484 Y HN 0.410 nan 8.280 nan 0.000 0.493 485 Y N 0.348 120.807 120.300 0.265 0.000 2.340 485 Y HA 0.398 4.948 4.550 0.000 0.000 0.327 485 Y C 0.062 176.019 175.900 0.095 0.000 1.321 485 Y CA -1.090 57.080 58.100 0.118 0.000 1.433 485 Y CB 0.585 39.084 38.460 0.064 0.000 1.373 485 Y HN 0.440 nan 8.280 nan 0.000 0.538 486 Q N 0.128 120.039 119.800 0.185 0.000 2.544 486 Q HA 0.464 4.804 4.340 0.000 0.000 0.291 486 Q C -1.388 174.569 176.000 -0.072 0.000 1.068 486 Q CA -1.179 54.646 55.803 0.038 0.000 0.785 486 Q CB 2.580 31.309 28.738 -0.015 0.000 1.481 486 Q HN 0.328 nan 8.270 nan 0.000 0.430 487 I N 1.855 122.347 120.570 -0.130 0.000 2.575 487 I HA 0.040 4.210 4.170 0.000 0.000 0.285 487 I C 0.581 176.460 176.117 -0.397 0.000 1.085 487 I CA -0.028 61.145 61.300 -0.211 0.000 1.403 487 I CB 0.353 38.246 38.000 -0.178 0.000 1.409 487 I HN 0.520 nan 8.210 nan 0.000 0.557 488 E N 8.158 128.021 120.200 -0.562 0.000 2.585 488 E HA -0.061 4.289 4.350 0.000 0.000 0.252 488 E C -1.355 174.555 176.600 -1.150 0.000 0.981 488 E CA -1.068 54.666 56.400 -1.110 0.000 0.943 488 E CB 0.312 29.113 29.700 -1.497 0.000 0.923 488 E HN 0.374 nan 8.360 nan 0.000 0.486 489 P HA -0.198 nan 4.420 nan 0.000 0.216 489 P C 1.215 177.963 177.300 -0.920 0.000 1.154 489 P CA 1.634 64.133 63.100 -1.002 0.000 0.865 489 P CB -0.300 30.599 31.700 -1.337 0.000 0.789 490 W N 1.085 121.817 121.300 -0.946 0.000 2.632 490 W HA 0.066 4.726 4.660 0.000 0.000 0.248 490 W C 1.397 177.903 176.519 -0.021 0.000 1.259 490 W CA 0.474 57.580 57.345 -0.398 0.000 1.288 490 W CB -1.545 27.862 29.460 -0.089 0.000 1.136 490 W HN -0.045 nan 8.180 nan 0.000 0.640 491 K N 0.170 120.436 120.400 -0.222 0.000 2.367 491 K HA 0.101 4.421 4.320 0.000 0.000 0.194 491 K C 1.393 177.983 176.600 -0.016 0.000 1.027 491 K CA 1.287 57.553 56.287 -0.034 0.000 1.075 491 K CB 0.184 32.589 32.500 -0.158 0.000 0.845 491 K HN 0.326 nan 8.250 nan 0.000 0.529 492 T N -3.831 110.690 114.554 -0.056 0.000 3.080 492 T HA 0.024 4.374 4.350 0.000 0.000 0.280 492 T C 0.029 174.736 174.700 0.012 0.000 0.926 492 T CA -0.440 61.645 62.100 -0.025 0.000 0.883 492 T CB -0.270 68.552 68.868 -0.076 0.000 1.194 492 T HN 0.079 nan 8.240 nan 0.000 0.541 493 H N 2.768 121.791 119.070 -0.078 0.000 2.975 493 H HA 0.388 4.944 4.556 0.000 0.000 0.303 493 H C 0.013 175.305 175.328 -0.061 0.000 1.023 493 H CA -0.872 55.106 56.048 -0.116 0.000 1.473 493 H CB -0.092 29.559 29.762 -0.185 0.000 1.498 493 H HN 0.390 nan 8.280 nan 0.000 0.549 494 I N 6.356 126.626 120.570 -0.500 0.000 2.294 494 I HA 0.040 4.210 4.170 0.000 0.000 0.295 494 I C -0.021 175.723 176.117 -0.621 0.000 1.098 494 I CA -0.526 60.577 61.300 -0.329 0.000 1.277 494 I CB -0.157 37.732 38.000 -0.186 0.000 1.434 494 I HN 0.479 nan 8.210 nan 0.000 0.498 495 W N 4.002 125.062 121.300 -0.402 0.000 2.089 495 W HA 0.312 4.972 4.660 0.000 0.000 0.355 495 W C 1.379 177.832 176.519 -0.110 0.000 1.305 495 W CA 0.323 57.538 57.345 -0.217 0.000 1.281 495 W CB 0.327 29.816 29.460 0.047 0.000 1.183 495 W HN 0.618 nan 8.180 nan 0.000 0.604 496 Q N 0.381 120.333 119.800 0.253 0.000 2.525 496 Q HA 0.217 4.557 4.340 0.000 0.000 0.203 496 Q C 0.686 176.779 176.000 0.154 0.000 0.947 496 Q CA 1.206 57.092 55.803 0.138 0.000 0.881 496 Q CB -1.027 27.766 28.738 0.092 0.000 1.049 496 Q HN 0.673 nan 8.270 nan 0.000 0.600 497 N N 0.000 118.818 118.700 0.196 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.125 53.050 0.125 0.000 0.885 497 N CB 0.000 38.538 38.487 0.084 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667