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 3eai_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ 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 0.000 176.187 176.000 0.312 0.000 1.003 77 Q CA 0.000 55.864 55.803 0.101 0.000 1.022 77 Q CB 0.000 28.792 28.738 0.090 0.000 1.108 78 Y N -2.972 117.405 120.300 0.129 0.000 2.604 78 Y HA 0.757 5.307 4.550 0.000 0.000 0.331 78 Y C -0.995 174.884 175.900 -0.036 0.000 1.158 78 Y CA -2.025 56.123 58.100 0.081 0.000 1.056 78 Y CB 0.994 39.455 38.460 0.001 0.000 1.330 78 Y HN 0.073 nan 8.280 nan 0.000 0.457 79 V N 3.744 123.730 119.914 0.120 0.000 2.394 79 V HA 0.487 4.607 4.120 0.000 0.000 0.282 79 V C 0.121 176.322 176.094 0.179 0.000 1.031 79 V CA -0.744 61.539 62.300 -0.028 0.000 0.881 79 V CB 1.255 32.898 31.823 -0.301 0.000 0.982 79 V HN 0.819 nan 8.190 nan 0.000 0.451 80 R N 4.637 125.236 120.500 0.164 0.000 2.340 80 R HA 0.453 4.793 4.340 0.000 0.000 0.300 80 R C -1.006 175.362 176.300 0.114 0.000 1.069 80 R CA -0.251 55.974 56.100 0.209 0.000 0.984 80 R CB 0.438 30.845 30.300 0.178 0.000 1.003 80 R HN 0.529 nan 8.270 nan 0.000 0.459 81 I N 4.048 124.674 120.570 0.092 0.000 2.545 81 I HA 0.334 4.504 4.170 0.000 0.000 0.292 81 I C -0.551 175.539 176.117 -0.045 0.000 1.040 81 I CA -0.602 60.714 61.300 0.027 0.000 1.068 81 I CB 1.883 39.884 38.000 0.002 0.000 1.251 81 I HN 0.664 nan 8.210 nan 0.000 0.424 82 K N 4.418 124.789 120.400 -0.049 0.000 2.371 82 K HA 0.418 4.738 4.320 0.000 0.000 0.251 82 K C -1.021 175.483 176.600 -0.159 0.000 0.934 82 K CA -0.639 55.527 56.287 -0.201 0.000 0.798 82 K CB 2.229 34.464 32.500 -0.443 0.000 1.204 82 K HN 0.599 nan 8.250 nan 0.000 0.427 83 N N 3.022 121.609 118.700 -0.187 0.000 2.437 83 N HA 0.214 4.954 4.740 0.000 0.000 0.259 83 N C -0.545 174.917 175.510 -0.080 0.000 0.983 83 N CA -0.662 52.386 53.050 -0.004 0.000 0.937 83 N CB 0.547 39.044 38.487 0.016 0.000 1.122 83 N HN 0.544 nan 8.380 nan 0.000 0.499 84 W N 2.240 123.618 121.300 0.130 0.000 3.204 84 W HA 0.285 4.945 4.660 0.000 0.000 0.249 84 W C 1.742 178.310 176.519 0.082 0.000 1.322 84 W CA -0.357 57.058 57.345 0.117 0.000 1.593 84 W CB 0.320 29.875 29.460 0.158 0.000 1.122 84 W HN 0.681 nan 8.180 nan 0.000 0.710 85 G N -0.664 108.258 108.800 0.203 0.000 2.576 85 G HA2 -0.104 3.856 3.960 0.000 0.000 0.210 85 G HA3 -0.104 3.856 3.960 0.000 0.000 0.210 85 G C 1.471 176.380 174.900 0.014 0.000 1.143 85 G CA 0.888 46.012 45.100 0.040 0.000 0.819 85 G HN 0.227 nan 8.290 nan 0.000 0.534 86 S N -1.198 114.506 115.700 0.007 0.000 2.512 86 S HA 0.386 4.856 4.470 0.000 0.000 0.216 86 S C 1.883 176.445 174.600 -0.063 0.000 1.006 86 S CA 1.079 59.263 58.200 -0.027 0.000 0.915 86 S CB 0.415 63.597 63.200 -0.029 0.000 0.824 86 S HN 1.468 nan 8.310 nan 0.000 0.497 87 G N 1.252 109.991 108.800 -0.102 0.000 2.184 87 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 87 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 87 G C -0.145 174.637 174.900 -0.198 0.000 0.975 87 G CA 0.328 45.318 45.100 -0.183 0.000 0.642 87 G HN 0.610 nan 8.290 nan 0.000 0.536 88 E N 0.405 120.513 120.200 -0.153 0.000 2.413 88 E HA 0.301 4.652 4.350 0.000 0.000 0.263 88 E C 0.415 176.902 176.600 -0.188 0.000 1.015 88 E CA 0.083 56.392 56.400 -0.153 0.000 0.916 88 E CB 0.546 30.171 29.700 -0.125 0.000 0.947 88 E HN 0.253 nan 8.360 nan 0.000 0.440 89 I N 3.932 124.391 120.570 -0.185 0.000 2.493 89 I HA 0.407 4.577 4.170 0.000 0.000 0.298 89 I C 0.012 175.994 176.117 -0.225 0.000 0.998 89 I CA -0.548 60.646 61.300 -0.177 0.000 1.137 89 I CB 1.103 39.026 38.000 -0.128 0.000 1.310 89 I HN 0.404 nan 8.210 nan 0.000 0.445 90 L N 4.679 125.784 121.223 -0.198 0.000 2.371 90 L HA 0.478 4.818 4.340 0.000 0.000 0.262 90 L C -0.688 176.193 176.870 0.018 0.000 1.006 90 L CA -0.677 54.010 54.840 -0.255 0.000 0.818 90 L CB 2.615 44.328 42.059 -0.577 0.000 1.354 90 L HN 0.538 nan 8.230 nan 0.000 0.415 91 H N 0.969 120.006 119.070 -0.055 0.000 2.511 91 H HA 0.206 4.762 4.556 0.000 0.000 0.328 91 H C -1.203 174.246 175.328 0.202 0.000 1.044 91 H CA -0.779 55.240 56.048 -0.049 0.000 1.212 91 H CB 2.235 31.719 29.762 -0.463 0.000 1.428 91 H HN 0.415 nan 8.280 nan 0.000 0.483 92 D N 2.633 123.258 120.400 0.376 0.000 2.317 92 D HA 0.047 4.687 4.640 0.000 0.000 0.234 92 D C 0.702 177.143 176.300 0.234 0.000 1.112 92 D CA -0.141 54.035 54.000 0.294 0.000 0.840 92 D CB 1.471 42.404 40.800 0.222 0.000 1.078 92 D HN 0.733 nan 8.370 nan 0.000 0.486 93 T N 0.913 115.549 114.554 0.135 0.000 2.955 93 T HA -0.044 4.306 4.350 0.000 0.000 0.251 93 T C 1.857 176.444 174.700 -0.187 0.000 1.002 93 T CA -0.249 61.862 62.100 0.018 0.000 0.970 93 T CB 0.030 68.980 68.868 0.137 0.000 1.091 93 T HN 0.235 nan 8.240 nan 0.000 0.495 94 L N 3.422 124.579 121.223 -0.110 0.000 2.189 94 L HA -0.132 4.208 4.340 0.000 0.000 0.214 94 L C 2.480 179.155 176.870 -0.324 0.000 1.097 94 L CA 1.954 56.714 54.840 -0.134 0.000 0.764 94 L CB -0.992 41.035 42.059 -0.053 0.000 0.900 94 L HN 0.604 nan 8.230 nan 0.000 0.436 95 H N -2.497 116.111 119.070 -0.770 0.000 2.543 95 H HA -0.170 4.386 4.556 0.000 0.000 0.286 95 H C 1.670 176.631 175.328 -0.611 0.000 1.037 95 H CA 1.745 57.024 56.048 -1.281 0.000 1.250 95 H CB -1.064 27.901 29.762 -1.328 0.000 1.373 95 H HN 0.600 nan 8.280 nan 0.000 0.580 96 H N 0.831 119.410 119.070 -0.819 0.000 2.457 96 H HA 0.001 4.557 4.556 0.000 0.000 0.294 96 H C 1.392 176.556 175.328 -0.273 0.000 1.064 96 H CA 0.947 56.667 56.048 -0.545 0.000 1.330 96 H CB 0.391 29.898 29.762 -0.425 0.000 1.395 96 H HN 0.218 nan 8.280 nan 0.000 0.541 97 K N 0.750 121.089 120.400 -0.101 0.000 2.487 97 K HA 0.175 4.495 4.320 0.000 0.000 0.192 97 K C 0.481 177.074 176.600 -0.011 0.000 1.027 97 K CA 0.168 56.438 56.287 -0.028 0.000 1.054 97 K CB 0.245 32.745 32.500 -0.000 0.000 0.824 97 K HN 0.217 nan 8.250 nan 0.000 0.510 98 A N 0.910 123.697 122.820 -0.055 0.000 2.492 98 A HA 0.211 4.531 4.320 0.000 0.000 0.236 98 A C 1.067 178.659 177.584 0.012 0.000 1.078 98 A CA 0.306 52.340 52.037 -0.004 0.000 0.773 98 A CB -0.059 18.914 19.000 -0.045 0.000 1.023 98 A HN 0.434 nan 8.150 nan 0.000 0.504 99 T N -0.618 113.949 114.554 0.021 0.000 3.210 99 T HA 0.454 4.804 4.350 0.000 0.000 0.290 99 T C 1.144 175.876 174.700 0.053 0.000 1.229 99 T CA 0.442 62.564 62.100 0.038 0.000 0.920 99 T CB -0.455 68.428 68.868 0.025 0.000 2.279 99 T HN 1.060 nan 8.240 nan 0.000 0.552 100 S N 0.248 115.985 115.700 0.061 0.000 2.622 100 S HA 0.034 4.504 4.470 0.000 0.000 0.251 100 S C -0.203 174.452 174.600 0.092 0.000 1.402 100 S CA -0.223 58.016 58.200 0.066 0.000 0.972 100 S CB -1.069 62.164 63.200 0.054 0.000 0.913 100 S HN 0.649 nan 8.310 nan 0.000 0.573 101 D N 0.938 121.390 120.400 0.087 0.000 2.455 101 D HA 0.210 4.850 4.640 0.000 0.000 0.241 101 D C 0.034 176.437 176.300 0.171 0.000 1.138 101 D CA 0.183 54.252 54.000 0.115 0.000 0.877 101 D CB 0.035 40.881 40.800 0.076 0.000 1.187 101 D HN 0.356 nan 8.370 nan 0.000 0.451 102 F N 0.939 120.902 119.950 0.022 0.000 2.112 102 F HA 0.037 4.564 4.527 0.000 0.000 0.268 102 F C 2.275 178.092 175.800 0.028 0.000 1.100 102 F CA -0.005 58.008 58.000 0.022 0.000 1.170 102 F CB -0.214 38.809 39.000 0.037 0.000 1.714 102 F HN 0.397 nan 8.300 nan 0.000 0.525 103 T N -0.500 113.624 114.554 -0.716 0.000 2.612 103 T HA -0.112 4.238 4.350 0.000 0.000 0.259 103 T C 1.285 175.918 174.700 -0.111 0.000 1.065 103 T CA 0.997 62.829 62.100 -0.448 0.000 1.167 103 T CB -1.392 67.127 68.868 -0.582 0.000 0.863 103 T HN 0.482 nan 8.240 nan 0.000 0.407 104 C N 2.906 122.211 119.300 0.009 0.000 2.746 104 C HA 0.298 4.758 4.460 0.000 0.000 0.403 104 C C 1.489 176.516 174.990 0.062 0.000 1.270 104 C CA -0.785 58.270 59.018 0.062 0.000 1.978 104 C CB -0.272 27.538 27.740 0.118 0.000 2.724 104 C HN 0.617 nan 8.230 nan 0.000 0.678 105 K N 0.864 121.291 120.400 0.045 0.000 2.772 105 K HA 0.225 4.545 4.320 0.000 0.000 0.312 105 K C 1.510 178.137 176.600 0.045 0.000 0.981 105 K CA 0.318 56.629 56.287 0.039 0.000 1.289 105 K CB -0.006 32.510 32.500 0.026 0.000 1.516 105 K HN 0.779 nan 8.250 nan 0.000 0.674 106 S N 0.162 115.882 115.700 0.033 0.000 2.460 106 S HA -0.016 4.454 4.470 0.000 0.000 0.226 106 S C 0.762 175.376 174.600 0.024 0.000 1.057 106 S CA 0.213 58.431 58.200 0.030 0.000 0.948 106 S CB -0.145 63.069 63.200 0.023 0.000 0.822 106 S HN 0.516 nan 8.310 nan 0.000 0.512 107 K N 0.871 121.283 120.400 0.020 0.000 3.167 107 K HA 0.624 4.944 4.320 0.000 0.000 0.208 107 K C -0.563 176.046 176.600 0.016 0.000 1.159 107 K CA -0.397 55.900 56.287 0.016 0.000 1.018 107 K CB 0.602 33.109 32.500 0.012 0.000 0.927 107 K HN 0.138 nan 8.250 nan 0.000 0.476 108 S N 0.469 116.181 115.700 0.020 0.000 2.669 108 S HA 0.163 4.633 4.470 0.000 0.000 0.304 108 S C -1.880 172.737 174.600 0.028 0.000 1.021 108 S CA -0.731 57.481 58.200 0.020 0.000 0.854 108 S CB 1.158 64.369 63.200 0.017 0.000 1.048 108 S HN 0.491 nan 8.310 nan 0.000 0.452 109 C N 5.522 124.838 119.300 0.027 0.000 2.351 109 C HA 0.813 5.273 4.460 0.000 0.000 0.326 109 C C -0.164 174.846 174.990 0.034 0.000 1.272 109 C CA -0.476 58.565 59.018 0.038 0.000 1.650 109 C CB -0.232 27.530 27.740 0.036 0.000 2.257 109 C HN 0.812 nan 8.230 nan 0.000 0.505 110 L N 5.906 127.150 121.223 0.034 0.000 3.218 110 L HA 0.365 4.705 4.340 0.000 0.000 0.279 110 L C 1.892 178.785 176.870 0.038 0.000 1.287 110 L CA 0.516 55.371 54.840 0.026 0.000 1.024 110 L CB -0.009 42.052 42.059 0.003 0.000 1.409 110 L HN 0.983 nan 8.230 nan 0.000 0.580 111 G N -0.015 108.826 108.800 0.069 0.000 2.450 111 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 111 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 111 G C 1.498 176.478 174.900 0.135 0.000 1.130 111 G CA 1.190 46.356 45.100 0.110 0.000 0.760 111 G HN 0.518 nan 8.290 nan 0.000 0.557 112 S N -0.075 115.696 115.700 0.118 0.000 2.631 112 S HA 0.303 4.774 4.470 0.000 0.000 0.217 112 S C 0.706 175.389 174.600 0.138 0.000 0.958 112 S CA -0.535 57.751 58.200 0.143 0.000 0.920 112 S CB -0.104 63.162 63.200 0.110 0.000 0.776 112 S HN 0.038 nan 8.310 nan 0.000 0.517 113 I N 2.530 123.166 120.570 0.110 0.000 2.441 113 I HA 0.200 4.370 4.170 0.000 0.000 0.287 113 I C 1.618 177.822 176.117 0.145 0.000 1.049 113 I CA -0.184 61.173 61.300 0.096 0.000 1.381 113 I CB 0.395 38.423 38.000 0.048 0.000 1.409 113 I HN 0.289 nan 8.210 nan 0.000 0.523 114 M N 4.515 124.213 119.600 0.164 0.000 2.123 114 M HA -0.081 4.399 4.480 0.000 0.000 0.263 114 M C 0.205 176.612 176.300 0.178 0.000 1.069 114 M CA 1.506 56.947 55.300 0.235 0.000 1.133 114 M CB -0.221 32.501 32.600 0.203 0.000 1.356 114 M HN 0.508 nan 8.290 nan 0.000 0.415 115 N N 1.385 120.139 118.700 0.091 0.000 2.918 115 N HA 0.319 5.059 4.740 0.000 0.000 0.270 115 N C -2.464 173.092 175.510 0.076 0.000 1.536 115 N CA -0.748 52.347 53.050 0.074 0.000 0.877 115 N CB 0.506 38.957 38.487 -0.059 0.000 1.190 115 N HN 0.258 nan 8.380 nan 0.000 0.492 116 P HA 0.235 nan 4.420 nan 0.000 0.277 116 P C 0.597 177.914 177.300 0.028 0.000 1.240 116 P CA -0.369 62.735 63.100 0.007 0.000 0.798 116 P CB 2.037 33.691 31.700 -0.077 0.000 0.979 117 K N 0.553 120.956 120.400 0.006 0.000 2.152 117 K HA -0.100 4.220 4.320 0.000 0.000 0.206 117 K C 1.998 178.614 176.600 0.027 0.000 1.048 117 K CA 1.886 58.186 56.287 0.021 0.000 0.933 117 K CB -0.452 32.049 32.500 0.002 0.000 0.721 117 K HN 0.558 nan 8.250 nan 0.000 0.447 118 S N 0.986 116.668 115.700 -0.030 0.000 2.465 118 S HA -0.093 4.377 4.470 0.000 0.000 0.241 118 S C 1.675 176.305 174.600 0.051 0.000 1.000 118 S CA 0.898 59.075 58.200 -0.038 0.000 0.964 118 S CB -0.251 62.816 63.200 -0.221 0.000 0.763 118 S HN 0.246 nan 8.310 nan 0.000 0.512 119 L N 0.728 122.000 121.223 0.082 0.000 2.693 119 L HA 0.272 4.612 4.340 0.000 0.000 0.235 119 L C -0.072 177.010 176.870 0.353 0.000 1.127 119 L CA -0.026 54.918 54.840 0.173 0.000 0.914 119 L CB 0.321 42.392 42.059 0.020 0.000 1.193 119 L HN 0.176 nan 8.230 nan 0.000 0.502 120 T N 0.245 114.980 114.554 0.302 0.000 2.794 120 T HA 0.410 4.760 4.350 0.000 0.000 0.280 120 T C -0.358 174.404 174.700 0.104 0.000 0.987 120 T CA -0.402 61.852 62.100 0.257 0.000 0.993 120 T CB 2.041 71.003 68.868 0.155 0.000 0.939 120 T HN -0.088 nan 8.240 nan 0.000 0.449 121 R N 2.135 122.657 120.500 0.037 0.000 2.310 121 R HA 0.587 4.927 4.340 0.000 0.000 0.316 121 R C 0.478 176.735 176.300 -0.072 0.000 1.004 121 R CA -0.437 55.559 56.100 -0.174 0.000 0.900 121 R CB 0.185 30.241 30.300 -0.407 0.000 1.152 121 R HN 0.811 nan 8.270 nan 0.000 0.513 122 G N 3.540 112.297 108.800 -0.073 0.000 2.553 122 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 -2.053 172.811 174.900 -0.060 0.000 1.349 122 G CA -0.892 44.172 45.100 -0.060 0.000 1.037 122 G HN 0.604 nan 8.290 nan 0.000 0.508 123 P HA 0.406 nan 4.420 nan 0.000 0.279 123 P C -0.836 176.443 177.300 -0.036 0.000 1.252 123 P CA -0.376 62.697 63.100 -0.045 0.000 0.811 123 P CB 1.642 33.311 31.700 -0.052 0.000 1.035 124 R N 0.611 121.096 120.500 -0.025 0.000 2.888 124 R HA 0.378 4.718 4.340 0.000 0.000 0.266 124 R C 0.004 176.300 176.300 -0.008 0.000 1.020 124 R CA -0.559 55.531 56.100 -0.017 0.000 0.963 124 R CB 1.048 31.340 30.300 -0.014 0.000 1.197 124 R HN 0.415 nan 8.270 nan 0.000 0.481 125 D N -0.679 119.719 120.400 -0.003 0.000 2.500 125 D HA 0.138 4.778 4.640 0.000 0.000 0.217 125 D C -0.400 175.909 176.300 0.016 0.000 1.159 125 D CA -0.077 53.925 54.000 0.003 0.000 0.828 125 D CB 0.581 41.378 40.800 -0.004 0.000 1.039 125 D HN 0.171 nan 8.370 nan 0.000 0.512 126 K N 0.120 120.529 120.400 0.015 0.000 2.508 126 K HA 0.512 4.832 4.320 0.000 0.000 0.260 126 K C -2.865 173.746 176.600 0.019 0.000 0.949 126 K CA -2.007 54.292 56.287 0.020 0.000 0.834 126 K CB 2.281 34.790 32.500 0.015 0.000 1.365 126 K HN -0.205 nan 8.250 nan 0.000 0.437 127 P HA -0.002 nan 4.420 nan 0.000 0.272 127 P C -0.703 176.608 177.300 0.017 0.000 1.248 127 P CA -0.183 62.929 63.100 0.019 0.000 0.799 127 P CB 0.315 32.028 31.700 0.022 0.000 0.997 128 T N 2.190 116.756 114.554 0.020 0.000 2.761 128 T HA 0.230 4.580 4.350 0.000 0.000 0.296 128 T C -2.191 172.531 174.700 0.037 0.000 0.934 128 T CA -0.921 61.197 62.100 0.029 0.000 1.091 128 T CB -0.384 68.509 68.868 0.041 0.000 0.896 128 T HN 0.260 nan 8.240 nan 0.000 0.515 129 P HA 0.012 nan 4.420 nan 0.000 0.260 129 P C 0.658 177.977 177.300 0.031 0.000 1.172 129 P CA -0.148 62.968 63.100 0.026 0.000 0.760 129 P CB 0.349 32.061 31.700 0.020 0.000 0.773 130 L N 3.879 125.118 121.223 0.026 0.000 2.129 130 L HA -0.229 4.111 4.340 0.000 0.000 0.212 130 L C 2.355 179.230 176.870 0.009 0.000 1.087 130 L CA 1.775 56.630 54.840 0.024 0.000 0.757 130 L CB -1.135 40.935 42.059 0.018 0.000 0.896 130 L HN 0.505 nan 8.230 nan 0.000 0.434 131 E N 0.038 120.238 120.200 0.000 0.000 2.153 131 E HA -0.238 4.112 4.350 0.000 0.000 0.194 131 E C 1.543 178.121 176.600 -0.037 0.000 0.988 131 E CA 1.557 57.947 56.400 -0.017 0.000 0.811 131 E CB -0.333 29.359 29.700 -0.015 0.000 0.746 131 E HN 0.663 nan 8.360 nan 0.000 0.466 132 E N 0.544 120.735 120.200 -0.015 0.000 2.102 132 E HA -0.026 4.324 4.350 0.000 0.000 0.190 132 E C 2.262 178.860 176.600 -0.003 0.000 0.971 132 E CA 0.314 56.697 56.400 -0.029 0.000 0.821 132 E CB -0.165 29.567 29.700 0.054 0.000 0.777 132 E HN 0.093 nan 8.360 nan 0.000 0.460 133 L N 1.640 122.909 121.223 0.076 0.000 1.970 133 L HA -0.177 4.163 4.340 0.000 0.000 0.212 133 L C 2.340 179.263 176.870 0.088 0.000 1.071 133 L CA 1.336 56.260 54.840 0.139 0.000 0.751 133 L CB -0.640 41.498 42.059 0.132 0.000 0.889 133 L HN 0.129 nan 8.230 nan 0.000 0.432 134 L N 0.182 121.414 121.223 0.016 0.000 1.991 134 L HA -0.193 4.147 4.340 0.000 0.000 0.221 134 L C -0.495 176.359 176.870 -0.025 0.000 1.079 134 L CA 2.520 57.344 54.840 -0.026 0.000 0.778 134 L CB -2.034 40.005 42.059 -0.034 0.000 0.893 134 L HN 0.207 nan 8.230 nan 0.000 0.437 135 P HA -0.165 nan 4.420 nan 0.000 0.215 135 P C 1.363 178.658 177.300 -0.008 0.000 1.157 135 P CA 1.763 64.811 63.100 -0.086 0.000 0.874 135 P CB -0.280 31.301 31.700 -0.199 0.000 0.790 136 H N -0.619 118.496 119.070 0.075 0.000 2.353 136 H HA -0.006 4.550 4.556 0.000 0.000 0.300 136 H C 1.991 177.421 175.328 0.171 0.000 1.090 136 H CA 1.623 57.742 56.048 0.118 0.000 1.327 136 H CB -1.061 28.769 29.762 0.113 0.000 1.383 136 H HN 0.057 nan 8.280 nan 0.000 0.508 137 A N 1.476 124.446 122.820 0.251 0.000 1.902 137 A HA -0.126 4.194 4.320 0.000 0.000 0.217 137 A C 2.475 180.153 177.584 0.157 0.000 1.181 137 A CA 1.284 53.423 52.037 0.170 0.000 0.623 137 A CB -0.502 18.344 19.000 -0.257 0.000 0.818 137 A HN 0.199 nan 8.150 nan 0.000 0.443 138 I N 0.201 120.826 120.570 0.091 0.000 2.226 138 I HA -0.231 3.939 4.170 0.000 0.000 0.245 138 I C 2.342 178.551 176.117 0.152 0.000 1.100 138 I CA 1.626 62.982 61.300 0.093 0.000 1.374 138 I CB -1.674 36.356 38.000 0.049 0.000 1.057 138 I HN 0.485 nan 8.210 nan 0.000 0.413 139 E N 0.268 120.576 120.200 0.181 0.000 2.051 139 E HA -0.265 4.085 4.350 0.000 0.000 0.192 139 E C 2.173 178.915 176.600 0.236 0.000 0.991 139 E CA 1.370 57.888 56.400 0.196 0.000 0.799 139 E CB -0.343 29.490 29.700 0.221 0.000 0.748 139 E HN 0.375 nan 8.360 nan 0.000 0.449 140 F N 1.769 121.827 119.950 0.181 0.000 2.134 140 F HA -0.212 4.315 4.527 0.000 0.000 0.299 140 F C 1.982 177.904 175.800 0.204 0.000 1.097 140 F CA 1.087 59.212 58.000 0.208 0.000 1.264 140 F CB -0.096 39.045 39.000 0.235 0.000 1.001 140 F HN -0.062 nan 8.300 nan 0.000 0.479 141 I N 0.919 121.491 120.570 0.003 0.000 2.264 141 I HA -0.311 3.859 4.170 0.000 0.000 0.248 141 I C 2.021 178.123 176.117 -0.025 0.000 1.111 141 I CA 1.240 62.514 61.300 -0.043 0.000 1.382 141 I CB -1.583 36.517 38.000 0.166 0.000 1.060 141 I HN 0.266 nan 8.210 nan 0.000 0.418 142 N N 0.708 119.443 118.700 0.059 0.000 2.142 142 N HA -0.221 4.519 4.740 0.000 0.000 0.186 142 N C 1.852 177.319 175.510 -0.072 0.000 1.023 142 N CA 1.030 54.120 53.050 0.067 0.000 0.852 142 N CB -0.368 38.224 38.487 0.175 0.000 0.998 142 N HN 0.529 nan 8.380 nan 0.000 0.424 143 Q N 0.029 119.789 119.800 -0.066 0.000 2.084 143 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 143 Q C 2.058 177.853 176.000 -0.341 0.000 0.978 143 Q CA 1.232 56.994 55.803 -0.068 0.000 0.844 143 Q CB -0.226 28.583 28.738 0.119 0.000 0.898 143 Q HN 0.452 nan 8.270 nan 0.000 0.426 144 Y N -0.130 119.705 120.300 -0.775 0.000 2.070 144 Y HA -0.325 4.225 4.550 0.000 0.000 0.280 144 Y C 1.706 176.861 175.900 -1.241 0.000 1.148 144 Y CA 2.198 59.465 58.100 -1.388 0.000 1.125 144 Y CB -0.520 37.146 38.460 -1.323 0.000 0.975 144 Y HN 0.187 nan 8.280 nan 0.000 0.492 145 Y N 0.019 119.922 120.300 -0.662 0.000 2.333 145 Y HA -0.062 4.488 4.550 0.000 0.000 0.290 145 Y C 2.586 178.247 175.900 -0.399 0.000 1.144 145 Y CA 1.292 59.127 58.100 -0.443 0.000 1.228 145 Y CB -0.892 37.259 38.460 -0.516 0.000 0.985 145 Y HN 0.266 nan 8.280 nan 0.000 0.542 146 G N -1.415 107.212 108.800 -0.289 0.000 2.776 146 G HA2 -0.156 3.804 3.960 0.000 0.000 0.209 146 G HA3 -0.156 3.804 3.960 0.000 0.000 0.209 146 G C 1.527 176.272 174.900 -0.258 0.000 1.145 146 G CA 0.909 45.914 45.100 -0.159 0.000 0.791 146 G HN 0.448 nan 8.290 nan 0.000 0.530 147 S N -0.456 114.891 115.700 -0.588 0.000 2.575 147 S HA 0.353 4.823 4.470 0.000 0.000 0.215 147 S C 0.340 174.629 174.600 -0.519 0.000 0.966 147 S CA -0.710 57.172 58.200 -0.531 0.000 0.911 147 S CB -0.207 62.614 63.200 -0.631 0.000 0.780 147 S HN 0.006 nan 8.310 nan 0.000 0.514 148 F N 2.257 122.058 119.950 -0.249 0.000 2.382 148 F HA 0.559 5.086 4.527 0.000 0.000 0.331 148 F C 1.536 177.281 175.800 -0.091 0.000 1.121 148 F CA -1.229 56.663 58.000 -0.181 0.000 1.183 148 F CB 0.765 39.655 39.000 -0.183 0.000 1.207 148 F HN -0.038 nan 8.300 nan 0.000 0.555 149 K N 1.092 121.578 120.400 0.143 0.000 1.985 149 K HA -0.102 4.218 4.320 0.000 0.000 0.210 149 K C -0.162 176.479 176.600 0.067 0.000 1.047 149 K CA 1.683 58.012 56.287 0.071 0.000 0.932 149 K CB -0.080 32.450 32.500 0.051 0.000 0.716 149 K HN 0.667 nan 8.250 nan 0.000 0.439 150 E N 0.224 120.464 120.200 0.067 0.000 2.129 150 E HA 0.422 4.773 4.350 0.000 0.000 0.268 150 E C -1.094 175.537 176.600 0.051 0.000 0.900 150 E CA -0.637 55.787 56.400 0.040 0.000 0.755 150 E CB 1.579 31.283 29.700 0.007 0.000 1.117 150 E HN 0.450 nan 8.360 nan 0.000 0.410 151 A N 3.922 126.784 122.820 0.069 0.000 2.521 151 A HA 0.036 4.357 4.320 0.000 0.000 0.237 151 A C 0.073 177.681 177.584 0.040 0.000 1.087 151 A CA 0.415 52.510 52.037 0.097 0.000 0.777 151 A CB 0.303 19.358 19.000 0.091 0.000 1.035 151 A HN 0.649 nan 8.150 nan 0.000 0.510 152 K N 1.712 122.150 120.400 0.064 0.000 3.157 152 K HA 0.219 4.539 4.320 0.000 0.000 0.173 152 K C -0.271 176.330 176.600 0.003 0.000 1.127 152 K CA -0.340 55.947 56.287 0.000 0.000 0.849 152 K CB 0.417 32.879 32.500 -0.063 0.000 1.038 152 K HN 0.503 nan 8.250 nan 0.000 0.603 153 I N 1.368 121.943 120.570 0.009 0.000 2.145 153 I HA -0.350 3.820 4.170 0.000 0.000 0.244 153 I C 2.512 178.576 176.117 -0.088 0.000 1.075 153 I CA 1.730 63.015 61.300 -0.026 0.000 1.332 153 I CB -0.263 37.711 38.000 -0.042 0.000 1.033 153 I HN 0.566 nan 8.210 nan 0.000 0.410 154 E N 0.808 120.964 120.200 -0.073 0.000 2.049 154 E HA -0.288 4.062 4.350 0.000 0.000 0.198 154 E C 2.127 178.666 176.600 -0.101 0.000 1.007 154 E CA 1.806 58.159 56.400 -0.078 0.000 0.809 154 E CB -0.093 29.576 29.700 -0.052 0.000 0.749 154 E HN 0.573 nan 8.360 nan 0.000 0.450 155 E N -0.738 119.399 120.200 -0.106 0.000 2.077 155 E HA -0.239 4.111 4.350 0.000 0.000 0.193 155 E C 2.103 178.482 176.600 -0.368 0.000 0.989 155 E CA 1.207 57.534 56.400 -0.122 0.000 0.800 155 E CB -0.302 29.396 29.700 -0.003 0.000 0.746 155 E HN 0.503 nan 8.360 nan 0.000 0.452 156 H N 0.325 118.928 119.070 -0.778 0.000 2.319 156 H HA -0.125 4.431 4.556 0.000 0.000 0.299 156 H C 2.204 177.255 175.328 -0.463 0.000 1.092 156 H CA 0.701 56.093 56.048 -1.094 0.000 1.302 156 H CB 0.226 29.585 29.762 -0.672 0.000 1.373 156 H HN 0.060 nan 8.280 nan 0.000 0.497 157 L N 0.754 121.849 121.223 -0.213 0.000 1.994 157 L HA -0.144 4.196 4.340 0.000 0.000 0.208 157 L C 2.957 179.769 176.870 -0.097 0.000 1.071 157 L CA 1.657 56.389 54.840 -0.179 0.000 0.745 157 L CB -1.658 40.310 42.059 -0.153 0.000 0.892 157 L HN 0.454 nan 8.230 nan 0.000 0.431 158 A N -0.222 122.549 122.820 -0.082 0.000 1.892 158 A HA -0.297 4.023 4.320 0.000 0.000 0.218 158 A C 2.393 179.975 177.584 -0.004 0.000 1.188 158 A CA 2.161 54.176 52.037 -0.036 0.000 0.631 158 A CB -0.552 18.433 19.000 -0.024 0.000 0.822 158 A HN 0.330 nan 8.150 nan 0.000 0.447 159 R N -0.051 120.451 120.500 0.004 0.000 2.073 159 R HA -0.020 4.320 4.340 0.000 0.000 0.234 159 R C 1.951 178.300 176.300 0.080 0.000 1.134 159 R CA 1.705 57.859 56.100 0.092 0.000 0.952 159 R CB -1.000 29.438 30.300 0.230 0.000 0.850 159 R HN 0.537 nan 8.270 nan 0.000 0.433 160 L N 0.238 121.500 121.223 0.065 0.000 2.079 160 L HA -0.191 4.150 4.340 0.000 0.000 0.210 160 L C 2.568 179.439 176.870 0.001 0.000 1.081 160 L CA 2.051 56.919 54.840 0.046 0.000 0.752 160 L CB -0.483 41.587 42.059 0.019 0.000 0.896 160 L HN 0.440 nan 8.230 nan 0.000 0.433 161 E N 0.117 120.312 120.200 -0.008 0.000 2.046 161 E HA -0.199 4.151 4.350 0.000 0.000 0.190 161 E C 2.241 178.839 176.600 -0.003 0.000 0.982 161 E CA 0.974 57.365 56.400 -0.014 0.000 0.800 161 E CB -0.012 29.677 29.700 -0.019 0.000 0.756 161 E HN 0.415 nan 8.360 nan 0.000 0.449 162 A N 0.778 123.606 122.820 0.014 0.000 1.940 162 A HA -0.158 4.162 4.320 0.000 0.000 0.219 162 A C 2.379 179.979 177.584 0.027 0.000 1.176 162 A CA 1.634 53.688 52.037 0.029 0.000 0.631 162 A CB -0.698 18.332 19.000 0.050 0.000 0.814 162 A HN 0.242 nan 8.150 nan 0.000 0.446 163 V N -0.492 119.427 119.914 0.007 0.000 2.307 163 V HA -0.207 3.913 4.120 0.000 0.000 0.245 163 V C 2.722 178.758 176.094 -0.097 0.000 1.045 163 V CA 2.394 64.656 62.300 -0.064 0.000 1.024 163 V CB -1.366 30.354 31.823 -0.173 0.000 0.651 163 V HN 0.600 nan 8.190 nan 0.000 0.449 164 T N -0.244 114.267 114.554 -0.072 0.000 2.684 164 T HA -0.239 4.112 4.350 0.000 0.000 0.267 164 T C 2.031 176.715 174.700 -0.026 0.000 1.036 164 T CA 1.681 63.747 62.100 -0.057 0.000 1.148 164 T CB -0.266 68.579 68.868 -0.039 0.000 0.863 164 T HN 0.271 nan 8.240 nan 0.000 0.436 165 K N 1.180 121.574 120.400 -0.010 0.000 2.026 165 K HA -0.021 4.299 4.320 0.000 0.000 0.208 165 K C 2.248 178.859 176.600 0.019 0.000 1.048 165 K CA 1.224 57.514 56.287 0.005 0.000 0.929 165 K CB -0.457 32.049 32.500 0.010 0.000 0.713 165 K HN 0.460 nan 8.250 nan 0.000 0.439 166 E N 0.209 120.428 120.200 0.033 0.000 2.085 166 E HA -0.173 4.177 4.350 0.000 0.000 0.194 166 E C 1.860 178.501 176.600 0.069 0.000 0.994 166 E CA 1.173 57.612 56.400 0.064 0.000 0.801 166 E CB -0.063 29.703 29.700 0.110 0.000 0.743 166 E HN 0.240 nan 8.360 nan 0.000 0.453 167 I N 0.824 121.423 120.570 0.048 0.000 2.226 167 I HA -0.251 3.919 4.170 0.000 0.000 0.245 167 I C 2.220 178.358 176.117 0.036 0.000 1.100 167 I CA 1.221 62.552 61.300 0.052 0.000 1.374 167 I CB -0.256 37.746 38.000 0.003 0.000 1.057 167 I HN 0.149 nan 8.210 nan 0.000 0.413 168 E N 0.257 120.468 120.200 0.019 0.000 2.072 168 E HA -0.195 4.155 4.350 0.000 0.000 0.191 168 E C 2.171 178.783 176.600 0.020 0.000 0.985 168 E CA 1.957 58.366 56.400 0.015 0.000 0.801 168 E CB -0.131 29.573 29.700 0.007 0.000 0.750 168 E HN 0.591 nan 8.360 nan 0.000 0.452 169 T N -1.823 112.745 114.554 0.025 0.000 3.043 169 T HA -0.038 4.312 4.350 0.000 0.000 0.263 169 T C 2.000 176.717 174.700 0.029 0.000 1.094 169 T CA 1.322 63.437 62.100 0.025 0.000 1.127 169 T CB 0.001 68.884 68.868 0.025 0.000 0.905 169 T HN 0.194 nan 8.240 nan 0.000 0.490 170 T N -3.202 111.375 114.554 0.039 0.000 2.959 170 T HA 0.493 4.843 4.350 0.000 0.000 0.254 170 T C 1.794 176.519 174.700 0.042 0.000 1.003 170 T CA 0.665 62.789 62.100 0.040 0.000 0.950 170 T CB -0.079 68.819 68.868 0.050 0.000 1.090 170 T HN 0.963 nan 8.240 nan 0.000 0.503 171 G N 0.355 109.184 108.800 0.048 0.000 2.136 171 G HA2 -0.108 3.852 3.960 0.000 0.000 0.242 171 G HA3 -0.108 3.852 3.960 0.000 0.000 0.242 171 G C 0.152 175.094 174.900 0.070 0.000 0.989 171 G CA 0.639 45.768 45.100 0.049 0.000 0.682 171 G HN 1.099 nan 8.290 nan 0.000 0.522 172 T N -1.824 112.794 114.554 0.105 0.000 2.674 172 T HA 0.625 4.975 4.350 0.000 0.000 0.298 172 T C -1.716 173.149 174.700 0.274 0.000 1.775 172 T CA 0.575 62.772 62.100 0.162 0.000 0.960 172 T CB 0.790 69.695 68.868 0.061 0.000 1.976 172 T HN 1.801 nan 8.240 nan 0.000 0.459 173 Y N -0.383 119.923 120.300 0.011 0.000 2.713 173 Y HA 0.802 5.352 4.550 0.000 0.000 0.335 173 Y C -1.727 174.189 175.900 0.028 0.000 1.222 173 Y CA -1.154 56.962 58.100 0.027 0.000 1.061 173 Y CB 0.751 39.240 38.460 0.050 0.000 1.314 173 Y HN 0.476 nan 8.280 nan 0.000 0.453 174 Q N 2.206 122.023 119.800 0.029 0.000 2.309 174 Q HA 0.550 4.890 4.340 0.000 0.000 0.264 174 Q C -0.965 175.044 176.000 0.014 0.000 1.008 174 Q CA -0.818 54.952 55.803 -0.054 0.000 0.853 174 Q CB 2.954 31.705 28.738 0.022 0.000 1.314 174 Q HN 0.846 nan 8.270 nan 0.000 0.448 175 L N 1.361 122.571 121.223 -0.023 0.000 2.379 175 L HA 0.382 4.722 4.340 0.000 0.000 0.269 175 L C 0.940 177.841 176.870 0.052 0.000 1.084 175 L CA -0.596 54.281 54.840 0.062 0.000 0.802 175 L CB 1.158 43.247 42.059 0.049 0.000 1.175 175 L HN 0.690 nan 8.230 nan 0.000 0.448 176 T N -0.984 113.594 114.554 0.040 0.000 2.868 176 T HA 0.124 4.474 4.350 0.000 0.000 0.292 176 T C 0.971 175.676 174.700 0.008 0.000 1.028 176 T CA -0.719 61.391 62.100 0.017 0.000 1.059 176 T CB 1.185 70.048 68.868 -0.009 0.000 0.991 176 T HN 0.472 nan 8.240 nan 0.000 0.531 177 L N 1.030 122.260 121.223 0.012 0.000 2.043 177 L HA -0.063 4.277 4.340 0.000 0.000 0.212 177 L C 2.132 179.022 176.870 0.033 0.000 1.075 177 L CA 2.163 57.007 54.840 0.006 0.000 0.752 177 L CB -1.189 40.872 42.059 0.003 0.000 0.891 177 L HN 0.934 nan 8.230 nan 0.000 0.432 178 D N -0.805 119.632 120.400 0.062 0.000 2.117 178 D HA -0.206 4.434 4.640 0.000 0.000 0.197 178 D C 2.094 178.516 176.300 0.203 0.000 0.987 178 D CA 1.370 55.458 54.000 0.148 0.000 0.829 178 D CB 0.059 40.990 40.800 0.218 0.000 0.961 178 D HN 0.521 nan 8.370 nan 0.000 0.460 179 E N -0.710 119.489 120.200 -0.000 0.000 2.077 179 E HA -0.164 4.186 4.350 0.000 0.000 0.193 179 E C 1.965 178.735 176.600 0.282 0.000 0.989 179 E CA 0.522 56.925 56.400 0.005 0.000 0.800 179 E CB -0.094 29.553 29.700 -0.087 0.000 0.746 179 E HN 0.207 nan 8.360 nan 0.000 0.452 180 L N 1.024 122.309 121.223 0.103 0.000 2.017 180 L HA -0.166 4.174 4.340 0.000 0.000 0.208 180 L C 1.984 178.864 176.870 0.017 0.000 1.073 180 L CA 1.576 56.410 54.840 -0.012 0.000 0.745 180 L CB -0.305 41.694 42.059 -0.101 0.000 0.894 180 L HN 0.147 nan 8.230 nan 0.000 0.432 181 I N -1.306 119.304 120.570 0.066 0.000 2.163 181 I HA -0.338 3.832 4.170 0.000 0.000 0.243 181 I C 2.400 178.610 176.117 0.155 0.000 1.085 181 I CA 1.733 63.074 61.300 0.068 0.000 1.347 181 I CB -0.538 37.507 38.000 0.074 0.000 1.044 181 I HN 0.313 nan 8.210 nan 0.000 0.408 182 F N 1.954 121.988 119.950 0.140 0.000 2.120 182 F HA -0.292 4.235 4.527 0.000 0.000 0.300 182 F C 2.443 178.358 175.800 0.192 0.000 1.095 182 F CA 1.565 59.679 58.000 0.190 0.000 1.249 182 F CB -0.415 38.773 39.000 0.314 0.000 0.995 182 F HN 0.017 nan 8.300 nan 0.000 0.480 183 A N -0.246 122.669 122.820 0.157 0.000 1.898 183 A HA -0.181 4.139 4.320 0.000 0.000 0.216 183 A C 2.266 179.740 177.584 -0.183 0.000 1.181 183 A CA 2.396 54.403 52.037 -0.050 0.000 0.620 183 A CB -1.629 17.312 19.000 -0.097 0.000 0.819 183 A HN 0.547 nan 8.150 nan 0.000 0.442 184 T N -1.905 112.581 114.554 -0.113 0.000 2.867 184 T HA -0.112 4.238 4.350 0.000 0.000 0.268 184 T C 1.806 176.529 174.700 0.038 0.000 1.057 184 T CA 1.609 63.672 62.100 -0.063 0.000 1.136 184 T CB -0.268 68.585 68.868 -0.024 0.000 0.874 184 T HN 0.518 nan 8.240 nan 0.000 0.466 185 K N 0.120 120.551 120.400 0.051 0.000 2.031 185 K HA 0.104 4.424 4.320 0.000 0.000 0.205 185 K C 2.520 179.169 176.600 0.082 0.000 1.049 185 K CA 1.163 57.571 56.287 0.202 0.000 0.939 185 K CB -0.208 32.425 32.500 0.222 0.000 0.717 185 K HN 0.229 nan 8.250 nan 0.000 0.438 186 M N 0.601 120.078 119.600 -0.206 0.000 2.117 186 M HA -0.102 4.378 4.480 0.000 0.000 0.262 186 M C 2.429 178.568 176.300 -0.269 0.000 1.065 186 M CA 1.453 56.546 55.300 -0.346 0.000 1.114 186 M CB -1.120 31.172 32.600 -0.513 0.000 1.361 186 M HN 0.158 nan 8.290 nan 0.000 0.408 187 A N -0.497 122.131 122.820 -0.321 0.000 1.908 187 A HA -0.220 4.100 4.320 0.000 0.000 0.218 187 A C 2.026 179.434 177.584 -0.294 0.000 1.181 187 A CA 1.643 53.350 52.037 -0.551 0.000 0.627 187 A CB -1.221 17.041 19.000 -1.230 0.000 0.818 187 A HN 0.680 nan 8.150 nan 0.000 0.445 188 W N 0.995 122.178 121.300 -0.195 0.000 2.355 188 W HA -0.164 4.496 4.660 0.000 0.000 0.309 188 W C 2.325 178.764 176.519 -0.134 0.000 1.206 188 W CA 1.687 59.002 57.345 -0.049 0.000 1.284 188 W CB -0.802 28.637 29.460 -0.034 0.000 1.145 188 W HN 0.375 nan 8.180 nan 0.000 0.502 189 R N 0.365 120.808 120.500 -0.095 0.000 2.127 189 R HA -0.179 4.161 4.340 0.000 0.000 0.238 189 R C 1.244 177.405 176.300 -0.232 0.000 1.134 189 R CA 1.780 57.656 56.100 -0.374 0.000 0.975 189 R CB -0.523 29.357 30.300 -0.701 0.000 0.865 189 R HN 0.074 nan 8.270 nan 0.000 0.447 190 N N 0.063 118.659 118.700 -0.173 0.000 2.314 190 N HA 0.070 4.810 4.740 0.000 0.000 0.200 190 N C -0.824 174.630 175.510 -0.093 0.000 1.135 190 N CA 0.421 53.403 53.050 -0.113 0.000 0.835 190 N CB 1.096 39.555 38.487 -0.046 0.000 0.989 190 N HN 0.158 nan 8.380 nan 0.000 0.478 191 A N 1.585 124.339 122.820 -0.111 0.000 2.376 191 A HA 0.356 4.676 4.320 0.000 0.000 0.298 191 A C -1.334 176.199 177.584 -0.085 0.000 1.271 191 A CA -1.105 50.829 52.037 -0.172 0.000 0.926 191 A CB 0.597 19.546 19.000 -0.086 0.000 1.141 191 A HN -0.034 nan 8.150 nan 0.000 0.539 192 P HA -0.133 nan 4.420 nan 0.000 0.218 192 P C 1.050 178.302 177.300 -0.080 0.000 1.148 192 P CA 1.191 64.253 63.100 -0.063 0.000 0.822 192 P CB 0.163 31.842 31.700 -0.035 0.000 0.784 193 R N -2.008 118.406 120.500 -0.143 0.000 2.317 193 R HA 0.152 4.492 4.340 0.000 0.000 0.208 193 R C 0.254 176.567 176.300 0.022 0.000 0.914 193 R CA -0.133 55.910 56.100 -0.096 0.000 1.060 193 R CB -0.523 29.496 30.300 -0.468 0.000 1.015 193 R HN 0.196 nan 8.270 nan 0.000 0.498 194 C N 0.731 120.020 119.300 -0.019 0.000 2.285 194 C HA 0.328 4.788 4.460 0.000 0.000 0.335 194 C C 1.688 176.660 174.990 -0.030 0.000 1.267 194 C CA -0.801 58.239 59.018 0.036 0.000 1.762 194 C CB -0.418 27.401 27.740 0.132 0.000 2.365 194 C HN 0.560 nan 8.230 nan 0.000 0.527 195 I N 4.186 124.726 120.570 -0.050 0.000 3.419 195 I HA 0.197 4.367 4.170 0.000 0.000 0.286 195 I C 1.791 177.985 176.117 0.128 0.000 1.268 195 I CA 0.906 62.141 61.300 -0.108 0.000 1.414 195 I CB 0.101 38.035 38.000 -0.109 0.000 1.074 195 I HN 0.920 nan 8.210 nan 0.000 0.457 196 G N 0.091 108.967 108.800 0.127 0.000 3.371 196 G HA2 0.051 4.011 3.960 0.000 0.000 0.248 196 G HA3 0.051 4.011 3.960 0.000 0.000 0.248 196 G C 1.218 176.162 174.900 0.074 0.000 1.161 196 G CA -0.373 44.802 45.100 0.124 0.000 0.796 196 G HN 0.237 nan 8.290 nan 0.000 0.539 197 R N -0.202 120.283 120.500 -0.025 0.000 2.341 197 R HA 0.080 4.420 4.340 0.000 0.000 0.213 197 R C 1.945 177.751 176.300 -0.824 0.000 1.082 197 R CA 0.261 56.056 56.100 -0.508 0.000 1.017 197 R CB -0.145 29.885 30.300 -0.451 0.000 0.860 197 R HN 0.464 nan 8.270 nan 0.000 0.473 198 I N 0.626 120.901 120.570 -0.491 0.000 2.830 198 I HA -0.205 3.965 4.170 0.000 0.000 0.263 198 I C 1.312 177.316 176.117 -0.187 0.000 1.230 198 I CA 1.072 62.233 61.300 -0.232 0.000 1.480 198 I CB 0.185 38.194 38.000 0.016 0.000 1.095 198 I HN 0.165 nan 8.210 nan 0.000 0.455 199 Q N 0.564 120.182 119.800 -0.302 0.000 2.360 199 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 199 Q C 1.609 177.101 176.000 -0.846 0.000 0.915 199 Q CA 0.294 55.900 55.803 -0.329 0.000 0.943 199 Q CB -0.153 28.561 28.738 -0.039 0.000 1.064 199 Q HN 0.765 nan 8.270 nan 0.000 0.511 200 W N 1.097 121.535 121.300 -1.437 0.000 2.292 200 W HA -0.265 4.395 4.660 0.000 0.000 0.304 200 W C 1.299 177.424 176.519 -0.658 0.000 1.228 200 W CA 1.670 57.973 57.345 -1.737 0.000 1.241 200 W CB -1.432 27.333 29.460 -1.158 0.000 1.142 200 W HN 0.195 nan 8.180 nan 0.000 0.520 201 S N -0.201 114.705 115.700 -1.322 0.000 2.562 201 S HA -0.037 4.433 4.470 0.000 0.000 0.221 201 S C 0.749 175.104 174.600 -0.408 0.000 0.975 201 S CA 0.302 57.900 58.200 -1.003 0.000 0.918 201 S CB -0.936 61.443 63.200 -1.367 0.000 0.772 201 S HN 0.424 nan 8.310 nan 0.000 0.531 202 N N 0.794 119.341 118.700 -0.254 0.000 2.949 202 N HA 0.417 5.157 4.740 0.000 0.000 0.243 202 N C -1.493 174.110 175.510 0.156 0.000 1.113 202 N CA -0.399 52.632 53.050 -0.032 0.000 0.980 202 N CB 0.320 38.811 38.487 0.006 0.000 1.256 202 N HN 0.279 nan 8.380 nan 0.000 0.508 203 L N 2.564 123.846 121.223 0.099 0.000 2.476 203 L HA 0.327 4.667 4.340 0.000 0.000 0.269 203 L C -0.953 175.870 176.870 -0.078 0.000 0.965 203 L CA -0.641 54.246 54.840 0.079 0.000 0.845 203 L CB 1.831 43.994 42.059 0.173 0.000 1.259 203 L HN 0.337 nan 8.230 nan 0.000 0.403 204 Q N 3.213 122.910 119.800 -0.171 0.000 2.288 204 Q HA 0.543 4.883 4.340 0.000 0.000 0.258 204 Q C -1.606 174.014 176.000 -0.634 0.000 0.957 204 Q CA -0.012 55.519 55.803 -0.455 0.000 0.919 204 Q CB 1.303 29.631 28.738 -0.684 0.000 1.185 204 Q HN 0.525 nan 8.270 nan 0.000 0.408 205 V N 5.991 125.539 119.914 -0.610 0.000 2.384 205 V HA 0.430 4.550 4.120 0.000 0.000 0.287 205 V C -0.851 174.878 176.094 -0.609 0.000 1.020 205 V CA -0.597 61.399 62.300 -0.507 0.000 0.850 205 V CB 0.740 32.406 31.823 -0.261 0.000 0.987 205 V HN 0.656 nan 8.190 nan 0.000 0.436 206 F N 2.653 122.439 119.950 -0.273 0.000 2.361 206 F HA 0.379 4.906 4.527 0.000 0.000 0.364 206 F C 0.432 176.056 175.800 -0.293 0.000 1.120 206 F CA -1.239 56.599 58.000 -0.271 0.000 1.102 206 F CB 1.080 39.909 39.000 -0.286 0.000 1.183 206 F HN 0.441 nan 8.300 nan 0.000 0.476 207 D N 3.312 123.673 120.400 -0.065 0.000 2.393 207 D HA 0.380 5.020 4.640 0.000 0.000 0.232 207 D C 0.167 176.333 176.300 -0.224 0.000 1.192 207 D CA 0.109 54.020 54.000 -0.149 0.000 0.882 207 D CB 0.910 41.656 40.800 -0.090 0.000 1.038 207 D HN 0.584 nan 8.370 nan 0.000 0.499 208 A N 4.491 127.052 122.820 -0.433 0.000 2.713 208 A HA 0.172 4.492 4.320 0.000 0.000 0.296 208 A C 1.503 178.877 177.584 -0.350 0.000 1.255 208 A CA -0.434 51.229 52.037 -0.622 0.000 0.955 208 A CB -0.004 18.152 19.000 -1.407 0.000 1.149 208 A HN 0.524 nan 8.150 nan 0.000 0.538 209 R N 0.389 120.768 120.500 -0.202 0.000 2.357 209 R HA -0.095 4.245 4.340 0.000 0.000 0.202 209 R C 0.860 177.107 176.300 -0.088 0.000 1.047 209 R CA 1.276 57.306 56.100 -0.117 0.000 1.034 209 R CB -0.130 30.153 30.300 -0.029 0.000 0.875 209 R HN 0.798 nan 8.270 nan 0.000 0.473 210 N N -1.367 117.300 118.700 -0.054 0.000 2.236 210 N HA -0.017 4.723 4.740 0.000 0.000 0.196 210 N C 0.353 175.912 175.510 0.080 0.000 1.114 210 N CA -0.305 52.756 53.050 0.019 0.000 0.859 210 N CB 0.057 38.569 38.487 0.043 0.000 0.982 210 N HN -0.020 nan 8.380 nan 0.000 0.493 211 C N 0.589 119.938 119.300 0.081 0.000 2.741 211 C HA 0.357 4.817 4.460 0.000 0.000 0.403 211 C C 1.646 176.840 174.990 0.341 0.000 1.282 211 C CA 0.747 59.919 59.018 0.257 0.000 2.053 211 C CB 0.097 28.069 27.740 0.387 0.000 2.731 211 C HN 0.719 nan 8.230 nan 0.000 0.680 212 S N 0.194 116.157 115.700 0.440 0.000 2.483 212 S HA 0.180 4.650 4.470 0.000 0.000 0.280 212 S C 0.019 174.775 174.600 0.261 0.000 1.059 212 S CA 0.416 58.876 58.200 0.434 0.000 1.359 212 S CB -0.228 63.124 63.200 0.254 0.000 1.171 212 S HN 1.068 nan 8.310 nan 0.000 0.625 213 T N -1.056 113.636 114.554 0.229 0.000 2.916 213 T HA 0.863 5.213 4.350 0.000 0.000 0.292 213 T C 1.251 176.012 174.700 0.102 0.000 1.055 213 T CA -0.197 61.974 62.100 0.118 0.000 1.009 213 T CB 1.481 70.418 68.868 0.116 0.000 1.118 213 T HN 0.342 nan 8.240 nan 0.000 0.497 214 A N 0.822 123.677 122.820 0.058 0.000 1.883 214 A HA -0.130 4.190 4.320 0.000 0.000 0.217 214 A C 2.304 179.868 177.584 -0.033 0.000 1.186 214 A CA 2.265 54.329 52.037 0.045 0.000 0.624 214 A CB -1.253 17.874 19.000 0.211 0.000 0.822 214 A HN 0.909 nan 8.150 nan 0.000 0.444 215 Q N 0.209 120.076 119.800 0.111 0.000 2.096 215 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 215 Q C 1.778 177.819 176.000 0.067 0.000 0.982 215 Q CA 2.424 58.288 55.803 0.101 0.000 0.850 215 Q CB -0.418 28.438 28.738 0.196 0.000 0.901 215 Q HN 0.770 nan 8.270 nan 0.000 0.422 216 E N -0.623 119.640 120.200 0.106 0.000 2.106 216 E HA -0.162 4.188 4.350 0.000 0.000 0.192 216 E C 2.075 178.815 176.600 0.233 0.000 0.984 216 E CA 1.263 57.745 56.400 0.137 0.000 0.806 216 E CB -0.162 29.671 29.700 0.222 0.000 0.750 216 E HN 0.453 nan 8.360 nan 0.000 0.458 217 M N 0.122 119.859 119.600 0.228 0.000 2.065 217 M HA -0.192 4.288 4.480 0.000 0.000 0.259 217 M C 2.268 178.663 176.300 0.158 0.000 1.069 217 M CA 1.457 56.895 55.300 0.230 0.000 1.110 217 M CB -0.390 32.121 32.600 -0.148 0.000 1.328 217 M HN 0.126 nan 8.290 nan 0.000 0.405 218 F N 1.410 121.197 119.950 -0.272 0.000 2.120 218 F HA -0.288 4.239 4.527 0.000 0.000 0.300 218 F C 2.293 178.001 175.800 -0.153 0.000 1.095 218 F CA 1.890 59.669 58.000 -0.370 0.000 1.249 218 F CB -0.510 37.973 39.000 -0.861 0.000 0.995 218 F HN 0.213 nan 8.300 nan 0.000 0.480 219 Q N -1.253 118.388 119.800 -0.265 0.000 2.119 219 Q HA -0.198 4.142 4.340 0.000 0.000 0.201 219 Q C 2.179 178.004 176.000 -0.293 0.000 0.972 219 Q CA 1.465 57.053 55.803 -0.358 0.000 0.847 219 Q CB -0.488 28.103 28.738 -0.246 0.000 0.903 219 Q HN 0.524 nan 8.270 nan 0.000 0.433 220 H N 0.458 119.479 119.070 -0.082 0.000 2.353 220 H HA -0.053 4.503 4.556 0.000 0.000 0.300 220 H C 2.131 177.415 175.328 -0.072 0.000 1.090 220 H CA 1.167 57.172 56.048 -0.071 0.000 1.327 220 H CB -0.008 29.797 29.762 0.071 0.000 1.383 220 H HN 0.242 nan 8.280 nan 0.000 0.508 221 I N -0.146 120.499 120.570 0.124 0.000 2.286 221 I HA -0.273 3.897 4.170 0.000 0.000 0.248 221 I C 2.592 178.656 176.117 -0.087 0.000 1.115 221 I CA 0.673 62.001 61.300 0.047 0.000 1.392 221 I CB -0.169 37.861 38.000 0.049 0.000 1.065 221 I HN 0.216 nan 8.210 nan 0.000 0.418 222 C N 0.209 119.355 119.300 -0.256 0.000 2.446 222 C HA -0.118 4.342 4.460 0.000 0.000 0.277 222 C C 2.946 177.843 174.990 -0.155 0.000 1.275 222 C CA 0.551 59.407 59.018 -0.270 0.000 1.727 222 C CB -1.073 26.384 27.740 -0.472 0.000 2.010 222 C HN 0.456 nan 8.230 nan 0.000 0.486 223 R N 0.259 120.647 120.500 -0.187 0.000 2.120 223 R HA -0.145 4.195 4.340 0.000 0.000 0.234 223 R C 2.029 178.223 176.300 -0.176 0.000 1.123 223 R CA 1.784 57.758 56.100 -0.210 0.000 0.975 223 R CB -0.728 29.373 30.300 -0.332 0.000 0.866 223 R HN 0.779 nan 8.270 nan 0.000 0.446 224 H N -0.054 118.863 119.070 -0.255 0.000 2.299 224 H HA -0.028 4.528 4.556 0.000 0.000 0.302 224 H C 2.258 177.641 175.328 0.090 0.000 1.078 224 H CA 2.023 58.024 56.048 -0.078 0.000 1.323 224 H CB -0.053 29.706 29.762 -0.004 0.000 1.381 224 H HN 0.123 nan 8.280 nan 0.000 0.498 225 I N 0.249 120.954 120.570 0.224 0.000 2.151 225 I HA -0.283 3.887 4.170 0.000 0.000 0.243 225 I C 2.484 178.683 176.117 0.136 0.000 1.080 225 I CA 1.046 62.430 61.300 0.139 0.000 1.339 225 I CB -0.243 37.767 38.000 0.016 0.000 1.039 225 I HN 0.345 nan 8.210 nan 0.000 0.409 226 L N 0.253 121.529 121.223 0.089 0.000 2.017 226 L HA -0.272 4.068 4.340 0.000 0.000 0.208 226 L C 2.509 179.444 176.870 0.110 0.000 1.073 226 L CA 1.908 56.789 54.840 0.069 0.000 0.745 226 L CB -0.997 41.078 42.059 0.027 0.000 0.894 226 L HN 0.279 nan 8.230 nan 0.000 0.432 227 Y N 0.178 120.519 120.300 0.068 0.000 2.145 227 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 227 Y C 2.357 178.345 175.900 0.147 0.000 1.145 227 Y CA 2.114 60.290 58.100 0.127 0.000 1.148 227 Y CB -0.603 38.005 38.460 0.248 0.000 0.981 227 Y HN 0.240 nan 8.280 nan 0.000 0.507 228 A N -0.522 122.444 122.820 0.243 0.000 1.902 228 A HA -0.159 4.162 4.320 0.000 0.000 0.217 228 A C 2.206 179.830 177.584 0.066 0.000 1.181 228 A CA 2.226 54.365 52.037 0.171 0.000 0.623 228 A CB -1.347 17.874 19.000 0.369 0.000 0.818 228 A HN 0.529 nan 8.150 nan 0.000 0.443 229 T N -0.108 114.495 114.554 0.083 0.000 2.708 229 T HA -0.138 4.212 4.350 0.000 0.000 0.266 229 T C 1.164 175.870 174.700 0.010 0.000 1.037 229 T CA 1.362 63.502 62.100 0.067 0.000 1.146 229 T CB -0.451 68.457 68.868 0.066 0.000 0.865 229 T HN 0.647 nan 8.240 nan 0.000 0.435 230 N N 1.405 120.080 118.700 -0.041 0.000 2.708 230 N HA -0.262 4.478 4.740 0.000 0.000 0.251 230 N C -0.055 175.435 175.510 -0.034 0.000 1.017 230 N CA 0.994 54.000 53.050 -0.074 0.000 0.742 230 N CB -1.929 36.470 38.487 -0.147 0.000 0.943 230 N HN 0.476 nan 8.380 nan 0.000 0.539 231 N N -1.602 117.091 118.700 -0.012 0.000 2.735 231 N HA -0.201 4.539 4.740 0.000 0.000 0.248 231 N C 0.997 176.500 175.510 -0.012 0.000 1.083 231 N CA 2.436 55.480 53.050 -0.009 0.000 0.703 231 N CB -1.219 37.260 38.487 -0.014 0.000 1.005 231 N HN 1.231 nan 8.380 nan 0.000 0.550 232 G N -0.892 107.910 108.800 0.003 0.000 2.313 232 G HA2 -0.326 3.634 3.960 0.000 0.000 0.215 232 G HA3 -0.326 3.634 3.960 0.000 0.000 0.215 232 G C 0.084 174.991 174.900 0.011 0.000 1.023 232 G CA 0.151 45.256 45.100 0.008 0.000 0.626 232 G HN 0.695 nan 8.290 nan 0.000 0.503 233 N N 2.285 120.976 118.700 -0.014 0.000 2.968 233 N HA 0.341 5.082 4.740 0.000 0.000 0.271 233 N C 0.832 176.336 175.510 -0.011 0.000 1.174 233 N CA -0.518 52.512 53.050 -0.034 0.000 1.096 233 N CB -0.429 38.028 38.487 -0.050 0.000 1.403 233 N HN 0.352 nan 8.380 nan 0.000 0.522 234 I N 1.689 122.290 120.570 0.051 0.000 2.845 234 I HA -0.078 4.092 4.170 0.000 0.000 0.296 234 I C 0.843 177.096 176.117 0.228 0.000 1.216 234 I CA 0.746 62.142 61.300 0.161 0.000 1.438 234 I CB -0.272 37.917 38.000 0.315 0.000 1.342 234 I HN 0.309 nan 8.210 nan 0.000 0.577 235 R N 3.695 124.299 120.500 0.172 0.000 2.621 235 R HA 0.419 4.759 4.340 0.000 0.000 0.292 235 R C -0.496 175.944 176.300 0.232 0.000 0.969 235 R CA -0.702 55.512 56.100 0.190 0.000 0.887 235 R CB 2.010 32.261 30.300 -0.081 0.000 1.180 235 R HN 0.548 nan 8.270 nan 0.000 0.450 236 S N 1.337 117.157 115.700 0.201 0.000 2.528 236 S HA 0.548 5.018 4.470 0.000 0.000 0.277 236 S C -0.398 174.234 174.600 0.054 0.000 1.297 236 S CA -0.304 57.916 58.200 0.033 0.000 1.052 236 S CB 1.314 64.440 63.200 -0.124 0.000 0.917 236 S HN 0.688 nan 8.310 nan 0.000 0.492 237 A N 2.868 125.686 122.820 -0.004 0.000 2.609 237 A HA 0.852 5.172 4.320 0.000 0.000 0.291 237 A C -1.331 176.185 177.584 -0.113 0.000 1.096 237 A CA -0.660 51.283 52.037 -0.157 0.000 0.684 237 A CB 1.195 20.063 19.000 -0.221 0.000 1.282 237 A HN 0.792 nan 8.150 nan 0.000 0.412 238 I N 0.184 120.640 120.570 -0.190 0.000 2.722 238 I HA 0.618 4.788 4.170 0.000 0.000 0.295 238 I C -1.245 174.881 176.117 0.015 0.000 1.161 238 I CA -0.153 61.180 61.300 0.055 0.000 1.032 238 I CB 2.453 40.460 38.000 0.011 0.000 1.244 238 I HN 0.600 nan 8.210 nan 0.000 0.421 239 T N 6.188 120.838 114.554 0.162 0.000 2.791 239 T HA 0.427 4.777 4.350 0.000 0.000 0.288 239 T C -0.734 173.825 174.700 -0.235 0.000 0.999 239 T CA -0.342 61.742 62.100 -0.026 0.000 0.952 239 T CB 1.446 70.324 68.868 0.017 0.000 0.938 239 T HN 0.253 nan 8.240 nan 0.000 0.444 240 V N 5.294 125.003 119.914 -0.343 0.000 2.333 240 V HA 0.458 4.578 4.120 0.000 0.000 0.274 240 V C -0.234 175.608 176.094 -0.420 0.000 1.028 240 V CA -0.696 61.420 62.300 -0.307 0.000 0.851 240 V CB -0.142 31.471 31.823 -0.350 0.000 1.000 240 V HN 0.738 nan 8.190 nan 0.000 0.456 241 F N 5.102 125.016 119.950 -0.059 0.000 2.291 241 F HA 0.473 5.000 4.527 0.000 0.000 0.305 241 F C -1.757 173.930 175.800 -0.188 0.000 1.171 241 F CA -2.325 55.560 58.000 -0.191 0.000 1.090 241 F CB 0.256 39.156 39.000 -0.166 0.000 1.436 241 F HN 0.296 nan 8.300 nan 0.000 0.509 242 P HA -0.025 nan 4.420 nan 0.000 0.265 242 P C -1.279 175.950 177.300 -0.118 0.000 1.187 242 P CA -0.062 62.849 63.100 -0.315 0.000 0.766 242 P CB 0.201 31.478 31.700 -0.705 0.000 0.820 243 Q N 2.897 122.584 119.800 -0.188 0.000 2.373 243 Q HA 0.174 4.514 4.340 0.000 0.000 0.255 243 Q C 0.118 175.977 176.000 -0.234 0.000 0.980 243 Q CA -0.759 54.738 55.803 -0.511 0.000 0.882 243 Q CB 0.816 28.971 28.738 -0.973 0.000 1.249 243 Q HN 0.316 nan 8.270 nan 0.000 0.438 244 R N 1.602 121.985 120.500 -0.196 0.000 2.502 244 R HA -0.047 4.293 4.340 0.000 0.000 0.292 244 R C 0.199 176.464 176.300 -0.059 0.000 0.998 244 R CA 0.814 56.883 56.100 -0.052 0.000 1.056 244 R CB 0.488 30.759 30.300 -0.048 0.000 0.939 244 R HN 0.973 nan 8.270 nan 0.000 0.411 245 S N 2.758 118.471 115.700 0.022 0.000 2.339 245 S HA -0.069 4.401 4.470 0.000 0.000 0.189 245 S C 0.811 175.430 174.600 0.033 0.000 0.966 245 S CA 0.518 58.725 58.200 0.011 0.000 0.925 245 S CB -0.116 63.095 63.200 0.018 0.000 0.890 245 S HN 0.831 nan 8.310 nan 0.000 0.539 246 D N -0.349 120.105 120.400 0.091 0.000 2.398 246 D HA 0.390 5.030 4.640 0.000 0.000 0.210 246 D C 1.292 177.640 176.300 0.080 0.000 1.094 246 D CA 0.472 54.523 54.000 0.086 0.000 0.839 246 D CB -0.082 40.787 40.800 0.116 0.000 0.963 246 D HN 0.783 nan 8.370 nan 0.000 0.506 247 G N 0.712 109.563 108.800 0.085 0.000 2.179 247 G HA2 -0.374 3.586 3.960 0.000 0.000 0.260 247 G HA3 -0.374 3.586 3.960 0.000 0.000 0.260 247 G C 1.032 175.951 174.900 0.032 0.000 0.977 247 G CA 0.440 45.568 45.100 0.047 0.000 0.641 247 G HN 0.432 nan 8.290 nan 0.000 0.533 248 K N -0.436 119.997 120.400 0.055 0.000 2.353 248 K HA 0.216 4.536 4.320 0.000 0.000 0.195 248 K C 0.325 176.673 176.600 -0.420 0.000 1.031 248 K CA 0.364 56.567 56.287 -0.140 0.000 1.079 248 K CB 0.296 32.704 32.500 -0.154 0.000 0.857 248 K HN 0.562 nan 8.250 nan 0.000 0.535 249 H N 0.284 119.376 119.070 0.037 0.000 2.624 249 H HA 0.202 4.758 4.556 0.000 0.000 0.233 249 H C -1.242 174.141 175.328 0.092 0.000 1.376 249 H CA -0.835 55.238 56.048 0.041 0.000 1.137 249 H CB 0.171 29.972 29.762 0.064 0.000 1.867 249 H HN -0.054 nan 8.280 nan 0.000 0.547 250 D N 0.635 121.109 120.400 0.123 0.000 2.350 250 D HA 0.072 4.712 4.640 0.000 0.000 0.249 250 D C -0.029 176.364 176.300 0.155 0.000 1.119 250 D CA 0.022 54.128 54.000 0.176 0.000 0.886 250 D CB 0.711 41.572 40.800 0.103 0.000 1.195 250 D HN 0.142 nan 8.370 nan 0.000 0.437 251 F N 2.554 122.535 119.950 0.053 0.000 2.420 251 F HA 0.339 4.866 4.527 0.000 0.000 0.352 251 F C 1.023 176.829 175.800 0.011 0.000 1.108 251 F CA -0.192 57.813 58.000 0.008 0.000 1.162 251 F CB 0.712 39.712 39.000 -0.001 0.000 1.118 251 F HN -0.134 nan 8.300 nan 0.000 0.510 252 R N 3.472 124.050 120.500 0.129 0.000 2.651 252 R HA 0.517 4.857 4.340 0.000 0.000 0.278 252 R C -1.746 174.666 176.300 0.186 0.000 1.010 252 R CA -1.138 55.051 56.100 0.148 0.000 0.896 252 R CB 2.215 32.607 30.300 0.153 0.000 1.211 252 R HN 0.472 nan 8.270 nan 0.000 0.456 253 L N 1.865 123.179 121.223 0.151 0.000 2.265 253 L HA 0.350 4.690 4.340 0.000 0.000 0.289 253 L C 0.617 177.662 176.870 0.292 0.000 1.033 253 L CA -0.131 54.810 54.840 0.168 0.000 0.814 253 L CB 0.864 42.954 42.059 0.052 0.000 1.203 253 L HN 0.583 nan 8.230 nan 0.000 0.423 254 W N 0.797 122.143 121.300 0.077 0.000 2.595 254 W HA 0.010 4.670 4.660 0.000 0.000 0.257 254 W C 0.708 177.360 176.519 0.220 0.000 1.267 254 W CA -0.359 57.123 57.345 0.229 0.000 1.300 254 W CB -0.878 28.794 29.460 0.354 0.000 1.120 254 W HN 0.488 nan 8.180 nan 0.000 0.618 255 N N -0.601 118.233 118.700 0.224 0.000 2.482 255 N HA 0.037 4.777 4.740 0.000 0.000 0.260 255 N C 1.113 176.505 175.510 -0.197 0.000 1.236 255 N CA 0.439 53.377 53.050 -0.186 0.000 0.938 255 N CB 0.729 39.141 38.487 -0.126 0.000 1.128 255 N HN -0.294 nan 8.380 nan 0.000 0.448 256 S N 0.012 115.525 115.700 -0.312 0.000 2.388 256 S HA 0.022 4.492 4.470 0.000 0.000 0.223 256 S C 0.112 174.601 174.600 -0.185 0.000 1.034 256 S CA 0.933 59.016 58.200 -0.195 0.000 0.963 256 S CB 0.063 63.161 63.200 -0.170 0.000 0.827 256 S HN 0.549 nan 8.310 nan 0.000 0.481 257 Q N -0.848 118.827 119.800 -0.209 0.000 2.456 257 Q HA 0.525 4.865 4.340 0.000 0.000 0.283 257 Q C 0.578 176.441 176.000 -0.228 0.000 1.084 257 Q CA -0.410 55.271 55.803 -0.204 0.000 0.801 257 Q CB 1.226 29.880 28.738 -0.140 0.000 1.434 257 Q HN 0.003 nan 8.270 nan 0.000 0.419 258 L N 0.188 121.271 121.223 -0.234 0.000 1.994 258 L HA 0.016 4.356 4.340 0.000 0.000 0.208 258 L C 0.401 177.109 176.870 -0.270 0.000 1.071 258 L CA 1.080 55.790 54.840 -0.218 0.000 0.745 258 L CB -0.034 41.891 42.059 -0.224 0.000 0.892 258 L HN 0.518 nan 8.230 nan 0.000 0.431 259 I N 0.084 120.413 120.570 -0.402 0.000 2.354 259 I HA 0.429 4.599 4.170 0.000 0.000 0.292 259 I C -0.268 175.228 176.117 -1.035 0.000 0.989 259 I CA -0.213 60.669 61.300 -0.697 0.000 1.188 259 I CB 1.342 38.832 38.000 -0.850 0.000 1.342 259 I HN 0.118 nan 8.210 nan 0.000 0.457 260 R N 4.613 124.609 120.500 -0.841 0.000 2.634 260 R HA 0.460 4.800 4.340 0.000 0.000 0.263 260 R C -1.871 174.203 176.300 -0.377 0.000 1.060 260 R CA -0.690 55.055 56.100 -0.591 0.000 0.898 260 R CB 1.123 31.258 30.300 -0.275 0.000 1.253 260 R HN 0.283 nan 8.270 nan 0.000 0.461 261 Y N 1.427 121.713 120.300 -0.023 0.000 2.299 261 Y HA 0.640 5.190 4.550 0.000 0.000 0.326 261 Y C 0.952 176.861 175.900 0.015 0.000 1.164 261 Y CA -0.248 57.882 58.100 0.050 0.000 1.234 261 Y CB 1.368 39.948 38.460 0.201 0.000 1.219 261 Y HN 0.743 nan 8.280 nan 0.000 0.497 262 A N 1.439 124.339 122.820 0.134 0.000 2.346 262 A HA 0.627 4.947 4.320 0.000 0.000 0.252 262 A C 0.475 177.895 177.584 -0.273 0.000 1.089 262 A CA 0.268 52.209 52.037 -0.160 0.000 0.797 262 A CB -0.207 18.623 19.000 -0.283 0.000 1.047 262 A HN 0.929 nan 8.150 nan 0.000 0.494 263 G N -0.301 108.229 108.800 -0.450 0.000 2.723 263 G HA2 0.578 4.538 3.960 0.000 0.000 0.295 263 G HA3 0.578 4.538 3.960 0.000 0.000 0.295 263 G C -1.342 173.322 174.900 -0.394 0.000 1.464 263 G CA -0.277 44.632 45.100 -0.318 0.000 1.012 263 G HN 0.529 nan 8.290 nan 0.000 0.522 264 Y N 0.286 120.602 120.300 0.027 0.000 2.446 264 Y HA 0.507 5.057 4.550 0.000 0.000 0.345 264 Y C 0.401 176.342 175.900 0.068 0.000 0.984 264 Y CA -0.979 57.152 58.100 0.051 0.000 1.058 264 Y CB 2.453 40.956 38.460 0.072 0.000 1.220 264 Y HN 0.462 nan 8.280 nan 0.000 0.455 265 Q N 3.899 123.840 119.800 0.235 0.000 2.349 265 Q HA 0.324 4.664 4.340 0.000 0.000 0.254 265 Q C -0.689 175.409 176.000 0.164 0.000 0.980 265 Q CA -0.725 55.167 55.803 0.148 0.000 0.924 265 Q CB 0.569 29.366 28.738 0.100 0.000 1.209 265 Q HN 0.591 nan 8.270 nan 0.000 0.445 266 M N 4.285 123.961 119.600 0.126 0.000 2.157 266 M HA 0.146 4.626 4.480 0.000 0.000 0.304 266 M C -1.597 174.720 176.300 0.028 0.000 1.171 266 M CA -2.100 53.245 55.300 0.076 0.000 1.157 266 M CB -0.559 32.068 32.600 0.046 0.000 1.403 266 M HN 0.429 nan 8.290 nan 0.000 0.473 267 P HA -0.154 nan 4.420 nan 0.000 0.215 267 P C 0.580 177.871 177.300 -0.016 0.000 1.153 267 P CA 1.312 64.396 63.100 -0.027 0.000 0.853 267 P CB -0.062 31.600 31.700 -0.063 0.000 0.788 268 D N -1.550 118.840 120.400 -0.016 0.000 2.378 268 D HA -0.005 4.635 4.640 0.000 0.000 0.227 268 D C 1.468 177.768 176.300 -0.000 0.000 1.012 268 D CA 1.027 55.021 54.000 -0.011 0.000 0.905 268 D CB -0.867 39.925 40.800 -0.014 0.000 0.895 268 D HN 0.290 nan 8.370 nan 0.000 0.532 269 G N -0.092 108.713 108.800 0.008 0.000 2.284 269 G HA2 -0.301 3.659 3.960 0.000 0.000 0.230 269 G HA3 -0.301 3.659 3.960 0.000 0.000 0.230 269 G C 0.649 175.561 174.900 0.020 0.000 1.021 269 G CA 0.541 45.650 45.100 0.015 0.000 0.619 269 G HN 0.818 nan 8.290 nan 0.000 0.510 270 T N 0.043 114.608 114.554 0.019 0.000 2.701 270 T HA 0.601 4.951 4.350 0.000 0.000 0.303 270 T C 0.410 175.130 174.700 0.034 0.000 1.030 270 T CA 0.035 62.147 62.100 0.020 0.000 1.010 270 T CB 1.310 70.187 68.868 0.014 0.000 1.007 270 T HN 0.527 nan 8.240 nan 0.000 0.532 271 I N 1.009 121.594 120.570 0.025 0.000 2.474 271 I HA 0.491 4.661 4.170 0.000 0.000 0.294 271 I C 0.275 176.405 176.117 0.022 0.000 1.005 271 I CA -0.779 60.541 61.300 0.032 0.000 1.113 271 I CB 1.632 39.634 38.000 0.004 0.000 1.289 271 I HN 0.820 nan 8.210 nan 0.000 0.436 272 R N 3.192 123.738 120.500 0.076 0.000 2.562 272 R HA 0.673 5.014 4.340 0.000 0.000 0.298 272 R C 0.317 176.642 176.300 0.041 0.000 0.961 272 R CA 0.304 56.447 56.100 0.071 0.000 0.881 272 R CB 1.664 32.061 30.300 0.162 0.000 1.159 272 R HN 0.916 nan 8.270 nan 0.000 0.450 273 G N 2.662 111.392 108.800 -0.117 0.000 2.499 273 G HA2 -0.264 3.696 3.960 0.000 0.000 0.232 273 G HA3 -0.264 3.696 3.960 0.000 0.000 0.232 273 G C -1.170 173.458 174.900 -0.454 0.000 1.251 273 G CA 0.054 45.033 45.100 -0.201 0.000 0.917 273 G HN 0.655 nan 8.290 nan 0.000 0.580 274 D N 1.681 121.965 120.400 -0.194 0.000 2.428 274 D HA 0.609 5.249 4.640 0.000 0.000 0.221 274 D C 1.500 177.764 176.300 -0.059 0.000 1.123 274 D CA 0.764 54.688 54.000 -0.127 0.000 0.869 274 D CB 0.697 41.709 40.800 0.354 0.000 1.032 274 D HN 0.951 nan 8.370 nan 0.000 0.506 275 A N 3.771 126.530 122.820 -0.101 0.000 2.084 275 A HA -0.151 4.169 4.320 0.000 0.000 0.221 275 A C 2.073 179.668 177.584 0.019 0.000 1.161 275 A CA 1.820 53.838 52.037 -0.033 0.000 0.653 275 A CB -0.296 18.688 19.000 -0.028 0.000 0.802 275 A HN 0.618 nan 8.150 nan 0.000 0.457 276 A N -0.429 122.427 122.820 0.059 0.000 2.019 276 A HA -0.028 4.292 4.320 0.000 0.000 0.219 276 A C 2.037 179.666 177.584 0.075 0.000 1.164 276 A CA 1.989 54.076 52.037 0.084 0.000 0.644 276 A CB -0.901 18.179 19.000 0.133 0.000 0.805 276 A HN 0.854 nan 8.150 nan 0.000 0.449 277 T N -2.877 111.718 114.554 0.067 0.000 3.223 277 T HA 0.448 4.798 4.350 0.000 0.000 0.259 277 T C 1.251 175.970 174.700 0.033 0.000 1.015 277 T CA -0.082 62.058 62.100 0.068 0.000 0.908 277 T CB -0.299 68.614 68.868 0.075 0.000 1.054 277 T HN 0.230 nan 8.240 nan 0.000 0.567 278 L N 0.588 121.817 121.223 0.011 0.000 1.989 278 L HA -0.097 4.243 4.340 0.000 0.000 0.211 278 L C 2.989 179.851 176.870 -0.014 0.000 1.071 278 L CA 1.826 56.660 54.840 -0.010 0.000 0.749 278 L CB -0.414 41.649 42.059 0.007 0.000 0.890 278 L HN 0.379 nan 8.230 nan 0.000 0.431 279 E N -0.671 119.527 120.200 -0.004 0.000 2.031 279 E HA -0.263 4.087 4.350 0.000 0.000 0.193 279 E C 2.063 178.601 176.600 -0.104 0.000 0.994 279 E CA 1.498 57.868 56.400 -0.051 0.000 0.800 279 E CB -0.188 29.481 29.700 -0.052 0.000 0.752 279 E HN 0.332 nan 8.360 nan 0.000 0.447 280 F N 1.672 121.494 119.950 -0.214 0.000 2.161 280 F HA -0.226 4.302 4.527 0.000 0.000 0.300 280 F C 2.364 178.050 175.800 -0.189 0.000 1.089 280 F CA 1.604 59.452 58.000 -0.253 0.000 1.282 280 F CB -0.379 38.507 39.000 -0.190 0.000 1.010 280 F HN -0.073 nan 8.300 nan 0.000 0.485 281 T N -0.307 114.180 114.554 -0.111 0.000 2.708 281 T HA -0.276 4.074 4.350 0.000 0.000 0.266 281 T C 1.764 176.380 174.700 -0.140 0.000 1.037 281 T CA 1.677 63.669 62.100 -0.181 0.000 1.146 281 T CB -0.373 68.393 68.868 -0.171 0.000 0.865 281 T HN 0.239 nan 8.240 nan 0.000 0.435 282 Q N 0.738 120.475 119.800 -0.105 0.000 2.096 282 Q HA -0.066 4.274 4.340 0.000 0.000 0.204 282 Q C 2.108 178.033 176.000 -0.125 0.000 0.982 282 Q CA 1.221 56.986 55.803 -0.063 0.000 0.850 282 Q CB -0.797 27.911 28.738 -0.050 0.000 0.901 282 Q HN 0.423 nan 8.270 nan 0.000 0.422 283 L N -0.371 120.703 121.223 -0.248 0.000 2.079 283 L HA -0.170 4.170 4.340 0.000 0.000 0.210 283 L C 2.090 178.794 176.870 -0.276 0.000 1.081 283 L CA 1.811 56.483 54.840 -0.279 0.000 0.752 283 L CB -0.996 40.818 42.059 -0.408 0.000 0.896 283 L HN 0.394 nan 8.230 nan 0.000 0.433 284 C N -0.508 118.556 119.300 -0.393 0.000 2.446 284 C HA -0.115 4.345 4.460 0.000 0.000 0.277 284 C C 2.727 177.738 174.990 0.034 0.000 1.275 284 C CA 0.789 59.645 59.018 -0.270 0.000 1.727 284 C CB -0.904 26.562 27.740 -0.457 0.000 2.010 284 C HN 0.580 nan 8.230 nan 0.000 0.486 285 I N 1.358 121.996 120.570 0.113 0.000 2.208 285 I HA -0.213 3.957 4.170 0.000 0.000 0.245 285 I C 1.916 178.047 176.117 0.024 0.000 1.097 285 I CA 1.625 63.006 61.300 0.134 0.000 1.363 285 I CB -0.594 37.473 38.000 0.111 0.000 1.051 285 I HN 0.320 nan 8.210 nan 0.000 0.413 286 D N 0.687 121.069 120.400 -0.030 0.000 2.264 286 D HA -0.069 4.571 4.640 0.000 0.000 0.208 286 D C 1.879 178.135 176.300 -0.073 0.000 0.966 286 D CA 1.027 54.990 54.000 -0.062 0.000 0.864 286 D CB -0.083 40.663 40.800 -0.091 0.000 0.933 286 D HN 0.334 nan 8.370 nan 0.000 0.499 287 L N -0.878 120.307 121.223 -0.063 0.000 2.629 287 L HA 0.274 4.614 4.340 0.000 0.000 0.230 287 L C 1.243 178.083 176.870 -0.050 0.000 1.151 287 L CA 0.174 54.973 54.840 -0.069 0.000 0.924 287 L CB 0.070 42.075 42.059 -0.090 0.000 1.137 287 L HN 0.116 nan 8.230 nan 0.000 0.457 288 G N -0.951 107.836 108.800 -0.022 0.000 2.144 288 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 288 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 288 G C -0.280 174.634 174.900 0.023 0.000 0.988 288 G CA -0.403 44.682 45.100 -0.024 0.000 0.659 288 G HN 0.328 nan 8.290 nan 0.000 0.522 289 W N 2.459 123.691 121.300 -0.114 0.000 2.261 289 W HA 0.695 5.355 4.660 0.000 0.000 0.323 289 W C 0.033 176.514 176.519 -0.063 0.000 1.243 289 W CA -1.003 56.285 57.345 -0.096 0.000 1.210 289 W CB 0.791 30.187 29.460 -0.106 0.000 1.149 289 W HN -0.092 nan 8.180 nan 0.000 0.562 290 K N 7.865 127.731 120.400 -0.891 0.000 2.262 290 K HA 0.251 4.571 4.320 0.000 0.000 0.282 290 K C -2.371 173.403 176.600 -1.377 0.000 1.066 290 K CA -2.056 53.740 56.287 -0.818 0.000 0.901 290 K CB 0.595 32.798 32.500 -0.493 0.000 1.089 290 K HN 0.335 nan 8.250 nan 0.000 0.476 291 P HA 0.209 nan 4.420 nan 0.000 0.271 291 P C -0.177 176.696 177.300 -0.712 0.000 1.226 291 P CA -0.172 62.383 63.100 -0.908 0.000 0.765 291 P CB 0.766 32.032 31.700 -0.723 0.000 0.835 292 R N 2.006 122.202 120.500 -0.507 0.000 2.334 292 R HA 0.103 4.443 4.340 0.000 0.000 0.216 292 R C 0.066 176.247 176.300 -0.197 0.000 0.905 292 R CA -0.173 55.800 56.100 -0.210 0.000 1.064 292 R CB -0.471 29.816 30.300 -0.022 0.000 1.046 292 R HN 0.429 nan 8.270 nan 0.000 0.508 293 Y N -0.522 119.336 120.300 -0.738 0.000 3.396 293 Y HA -0.282 4.268 4.550 0.000 0.000 0.214 293 Y C 0.874 176.609 175.900 -0.275 0.000 1.203 293 Y CA 0.558 58.097 58.100 -0.934 0.000 1.401 293 Y CB -1.955 36.153 38.460 -0.587 0.000 1.409 293 Y HN 0.239 nan 8.280 nan 0.000 0.594 294 G N -0.414 108.445 108.800 0.097 0.000 2.552 294 G HA2 0.478 4.438 3.960 0.000 0.000 0.318 294 G HA3 0.478 4.438 3.960 0.000 0.000 0.318 294 G C 0.578 175.576 174.900 0.162 0.000 1.240 294 G CA -0.531 44.658 45.100 0.149 0.000 1.002 294 G HN 0.301 nan 8.290 nan 0.000 0.493 295 R N -1.288 119.204 120.500 -0.013 0.000 2.200 295 R HA 0.147 4.487 4.340 0.000 0.000 0.208 295 R C -0.071 175.806 176.300 -0.704 0.000 1.033 295 R CA 0.613 56.517 56.100 -0.327 0.000 1.000 295 R CB -0.025 29.990 30.300 -0.475 0.000 0.906 295 R HN 0.365 nan 8.270 nan 0.000 0.462 296 F N 0.909 120.831 119.950 -0.047 0.000 2.577 296 F HA 0.289 4.816 4.527 0.000 0.000 0.342 296 F C -1.051 174.739 175.800 -0.016 0.000 1.479 296 F CA -1.191 56.526 58.000 -0.471 0.000 1.110 296 F CB 0.815 39.365 39.000 -0.750 0.000 1.306 296 F HN -0.268 nan 8.300 nan 0.000 0.554 297 D N 1.683 122.277 120.400 0.324 0.000 2.316 297 D HA 0.185 4.825 4.640 0.000 0.000 0.245 297 D C 0.177 176.740 176.300 0.439 0.000 1.171 297 D CA 0.062 54.311 54.000 0.416 0.000 0.856 297 D CB 2.306 43.412 40.800 0.510 0.000 1.090 297 D HN -0.039 nan 8.370 nan 0.000 0.476 298 V N 4.274 124.417 119.914 0.382 0.000 2.450 298 V HA -0.035 4.085 4.120 0.000 0.000 0.281 298 V C 1.149 177.266 176.094 0.039 0.000 1.019 298 V CA -0.160 62.239 62.300 0.166 0.000 1.062 298 V CB -0.150 31.722 31.823 0.083 0.000 0.979 298 V HN 0.348 nan 8.190 nan 0.000 0.477 299 L N 8.529 129.677 121.223 -0.125 0.000 2.479 299 L HA 0.241 4.581 4.340 0.000 0.000 0.270 299 L C -1.627 175.039 176.870 -0.340 0.000 1.236 299 L CA -1.017 53.589 54.840 -0.390 0.000 0.823 299 L CB 0.301 42.220 42.059 -0.233 0.000 1.098 299 L HN 0.474 nan 8.230 nan 0.000 0.500 300 P HA 0.240 nan 4.420 nan 0.000 0.281 300 P C -1.143 176.109 177.300 -0.080 0.000 1.264 300 P CA -0.625 62.305 63.100 -0.284 0.000 0.824 300 P CB 1.062 32.488 31.700 -0.456 0.000 1.092 301 L N 0.966 122.215 121.223 0.042 0.000 2.331 301 L HA 0.263 4.604 4.340 0.000 0.000 0.278 301 L C 0.178 177.133 176.870 0.141 0.000 1.106 301 L CA -0.688 54.224 54.840 0.119 0.000 0.824 301 L CB 0.937 43.101 42.059 0.176 0.000 1.142 301 L HN 0.085 nan 8.230 nan 0.000 0.443 302 V N 5.858 125.869 119.914 0.162 0.000 2.313 302 V HA 0.367 4.487 4.120 0.000 0.000 0.278 302 V C 0.101 176.217 176.094 0.037 0.000 1.017 302 V CA -0.337 62.006 62.300 0.071 0.000 0.823 302 V CB 1.242 33.143 31.823 0.129 0.000 1.010 302 V HN 0.496 nan 8.190 nan 0.000 0.443 303 L N 4.773 126.006 121.223 0.016 0.000 2.317 303 L HA 0.660 5.000 4.340 0.000 0.000 0.281 303 L C -0.212 176.553 176.870 -0.175 0.000 1.024 303 L CA -0.457 54.360 54.840 -0.039 0.000 0.810 303 L CB 1.849 43.895 42.059 -0.023 0.000 1.240 303 L HN 0.609 nan 8.230 nan 0.000 0.427 304 Q N 2.636 122.334 119.800 -0.170 0.000 2.327 304 Q HA 0.728 5.068 4.340 0.000 0.000 0.270 304 Q C -1.556 174.288 176.000 -0.259 0.000 1.022 304 Q CA -0.529 55.144 55.803 -0.218 0.000 0.773 304 Q CB 2.113 30.808 28.738 -0.071 0.000 1.251 304 Q HN 0.793 nan 8.270 nan 0.000 0.457 305 A N 3.397 125.986 122.820 -0.384 0.000 2.355 305 A HA 0.479 4.799 4.320 0.000 0.000 0.324 305 A C -0.149 176.941 177.584 -0.822 0.000 1.117 305 A CA -0.106 51.423 52.037 -0.846 0.000 0.785 305 A CB 1.227 19.888 19.000 -0.565 0.000 1.254 305 A HN 1.008 nan 8.150 nan 0.000 0.453 306 D N 0.465 120.034 120.400 -1.384 0.000 2.782 306 D HA -0.144 4.497 4.640 0.000 0.000 0.231 306 D C 1.174 177.382 176.300 -0.154 0.000 1.163 306 D CA 2.863 56.599 54.000 -0.439 0.000 0.680 306 D CB -1.104 39.605 40.800 -0.152 0.000 1.062 306 D HN 2.175 nan 8.370 nan 0.000 0.425 307 G N -1.322 107.357 108.800 -0.202 0.000 2.184 307 G HA2 -0.388 3.572 3.960 0.000 0.000 0.264 307 G HA3 -0.388 3.572 3.960 0.000 0.000 0.264 307 G C 0.295 175.152 174.900 -0.072 0.000 0.975 307 G CA 0.696 45.727 45.100 -0.116 0.000 0.642 307 G HN 0.625 nan 8.290 nan 0.000 0.536 308 Q N 0.459 120.194 119.800 -0.108 0.000 2.317 308 Q HA 0.481 4.821 4.340 0.000 0.000 0.229 308 Q C 0.024 175.970 176.000 -0.090 0.000 0.984 308 Q CA -0.639 55.126 55.803 -0.063 0.000 0.911 308 Q CB 0.534 29.228 28.738 -0.073 0.000 1.217 308 Q HN 0.320 nan 8.270 nan 0.000 0.501 309 D N 2.573 122.943 120.400 -0.050 0.000 2.506 309 D HA -0.001 4.639 4.640 0.000 0.000 0.234 309 D C -2.185 173.899 176.300 -0.359 0.000 1.143 309 D CA -0.531 53.355 54.000 -0.189 0.000 0.871 309 D CB 0.064 40.905 40.800 0.068 0.000 1.190 309 D HN 0.217 nan 8.370 nan 0.000 0.459 310 P HA 0.078 nan 4.420 nan 0.000 0.271 310 P C -0.760 176.320 177.300 -0.366 0.000 1.216 310 P CA -0.102 62.579 63.100 -0.697 0.000 0.776 310 P CB 0.861 31.677 31.700 -1.473 0.000 0.881 311 E N 0.892 120.956 120.200 -0.227 0.000 2.212 311 E HA 0.406 4.756 4.350 0.000 0.000 0.268 311 E C -0.540 175.894 176.600 -0.276 0.000 0.902 311 E CA -1.239 55.020 56.400 -0.235 0.000 0.779 311 E CB 1.934 31.520 29.700 -0.191 0.000 1.172 311 E HN 0.163 nan 8.360 nan 0.000 0.409 312 V N 2.660 122.306 119.914 -0.447 0.000 2.686 312 V HA 0.386 4.506 4.120 0.000 0.000 0.295 312 V C -0.633 175.035 176.094 -0.710 0.000 1.057 312 V CA -0.223 61.862 62.300 -0.358 0.000 1.012 312 V CB 0.181 31.872 31.823 -0.220 0.000 1.006 312 V HN 0.524 nan 8.190 nan 0.000 0.477 313 F N 1.135 120.932 119.950 -0.256 0.000 2.653 313 F HA 0.379 4.906 4.527 0.000 0.000 0.327 313 F C 0.231 175.874 175.800 -0.261 0.000 1.195 313 F CA -0.631 57.095 58.000 -0.458 0.000 0.993 313 F CB 1.398 39.806 39.000 -0.988 0.000 1.259 313 F HN 0.433 nan 8.300 nan 0.000 0.478 314 E N 3.553 123.766 120.200 0.022 0.000 2.373 314 E HA 0.339 4.689 4.350 0.000 0.000 0.267 314 E C -0.380 176.366 176.600 0.243 0.000 1.032 314 E CA -0.324 56.166 56.400 0.150 0.000 0.889 314 E CB 1.454 31.276 29.700 0.205 0.000 0.984 314 E HN 0.459 nan 8.360 nan 0.000 0.425 315 I N 4.259 124.972 120.570 0.239 0.000 2.441 315 I HA 0.119 4.289 4.170 0.000 0.000 0.287 315 I C -2.059 174.186 176.117 0.214 0.000 1.049 315 I CA -2.139 59.325 61.300 0.273 0.000 1.381 315 I CB 0.533 38.619 38.000 0.142 0.000 1.409 315 I HN 0.170 nan 8.210 nan 0.000 0.523 316 P HA 0.063 nan 4.420 nan 0.000 0.260 316 P C -2.014 175.347 177.300 0.103 0.000 1.207 316 P CA -0.809 62.379 63.100 0.146 0.000 0.780 316 P CB 0.147 31.913 31.700 0.110 0.000 0.789 317 P HA -0.242 nan 4.420 nan 0.000 0.218 317 P C 0.917 178.257 177.300 0.068 0.000 1.150 317 P CA 1.450 64.604 63.100 0.091 0.000 0.841 317 P CB -0.002 31.755 31.700 0.095 0.000 0.784 318 D N -1.096 119.339 120.400 0.058 0.000 2.218 318 D HA -0.091 4.549 4.640 0.000 0.000 0.204 318 D C 1.850 178.171 176.300 0.035 0.000 0.976 318 D CA 0.941 54.966 54.000 0.042 0.000 0.853 318 D CB -0.328 40.493 40.800 0.035 0.000 0.939 318 D HN 0.258 nan 8.370 nan 0.000 0.481 319 L N 0.487 121.731 121.223 0.035 0.000 2.313 319 L HA -0.009 4.331 4.340 0.000 0.000 0.214 319 L C 0.639 177.526 176.870 0.028 0.000 1.119 319 L CA 0.237 55.092 54.840 0.024 0.000 0.809 319 L CB 0.221 42.286 42.059 0.010 0.000 0.933 319 L HN -0.203 nan 8.230 nan 0.000 0.449 320 V N 2.162 122.097 119.914 0.035 0.000 2.339 320 V HA 0.121 4.241 4.120 0.000 0.000 0.261 320 V C 0.085 176.208 176.094 0.047 0.000 1.058 320 V CA -0.450 61.870 62.300 0.034 0.000 0.897 320 V CB 1.044 32.886 31.823 0.032 0.000 1.052 320 V HN 0.052 nan 8.190 nan 0.000 0.480 321 L N 5.894 127.147 121.223 0.050 0.000 2.349 321 L HA 0.511 4.851 4.340 0.000 0.000 0.275 321 L C 0.112 177.004 176.870 0.037 0.000 1.115 321 L CA 0.722 55.582 54.840 0.034 0.000 0.820 321 L CB 0.696 42.772 42.059 0.027 0.000 1.135 321 L HN 0.675 nan 8.230 nan 0.000 0.445 322 E N 3.265 123.463 120.200 -0.003 0.000 2.369 322 E HA 0.604 4.954 4.350 0.000 0.000 0.270 322 E C -1.531 174.989 176.600 -0.134 0.000 0.909 322 E CA -1.053 55.333 56.400 -0.024 0.000 0.775 322 E CB 2.497 32.215 29.700 0.030 0.000 1.270 322 E HN 0.377 nan 8.360 nan 0.000 0.445 323 V N 1.458 121.249 119.914 -0.204 0.000 2.487 323 V HA 0.269 4.389 4.120 0.000 0.000 0.298 323 V C -0.246 175.771 176.094 -0.129 0.000 1.028 323 V CA -0.704 61.421 62.300 -0.291 0.000 0.860 323 V CB 1.879 33.270 31.823 -0.719 0.000 0.991 323 V HN 0.682 nan 8.190 nan 0.000 0.427 324 T N 6.642 121.140 114.554 -0.093 0.000 2.780 324 T HA 0.349 4.699 4.350 0.000 0.000 0.294 324 T C 0.203 174.921 174.700 0.031 0.000 0.949 324 T CA -0.397 61.685 62.100 -0.030 0.000 1.074 324 T CB 0.404 69.258 68.868 -0.022 0.000 0.910 324 T HN 0.357 nan 8.240 nan 0.000 0.501 325 M N 3.993 123.663 119.600 0.115 0.000 2.184 325 M HA 0.291 4.771 4.480 0.000 0.000 0.351 325 M C 0.408 176.887 176.300 0.299 0.000 1.395 325 M CA 0.327 55.772 55.300 0.241 0.000 1.117 325 M CB -0.387 32.455 32.600 0.403 0.000 1.708 325 M HN 0.607 nan 8.290 nan 0.000 0.468 326 E N 1.283 121.605 120.200 0.204 0.000 2.292 326 E HA 0.295 4.645 4.350 0.000 0.000 0.272 326 E C -1.092 175.570 176.600 0.103 0.000 0.881 326 E CA -0.656 55.870 56.400 0.211 0.000 0.754 326 E CB 2.489 32.287 29.700 0.164 0.000 1.201 326 E HN 0.508 nan 8.360 nan 0.000 0.425 327 H N 4.023 123.001 119.070 -0.155 0.000 2.467 327 H HA 0.217 4.773 4.556 0.000 0.000 0.331 327 H C -1.832 173.243 175.328 -0.422 0.000 1.120 327 H CA -2.166 53.622 56.048 -0.434 0.000 1.270 327 H CB 1.682 31.076 29.762 -0.613 0.000 1.466 327 H HN 0.334 nan 8.280 nan 0.000 0.504 328 P HA -0.012 nan 4.420 nan 0.000 0.242 328 P C 0.340 177.502 177.300 -0.231 0.000 1.197 328 P CA 0.732 63.384 63.100 -0.747 0.000 0.765 328 P CB 0.749 31.848 31.700 -1.000 0.000 0.936 329 K N -1.608 118.809 120.400 0.028 0.000 2.770 329 K HA 0.138 4.458 4.320 0.000 0.000 0.195 329 K C 0.635 177.223 176.600 -0.020 0.000 1.515 329 K CA 0.227 56.482 56.287 -0.053 0.000 1.199 329 K CB 0.079 32.491 32.500 -0.147 0.000 1.681 329 K HN 0.229 nan 8.250 nan 0.000 0.586 330 Y N 3.228 123.313 120.300 -0.358 0.000 2.613 330 Y HA 0.110 4.660 4.550 0.000 0.000 0.354 330 Y C 1.229 176.823 175.900 -0.511 0.000 1.063 330 Y CA -0.429 57.270 58.100 -0.668 0.000 1.384 330 Y CB 0.404 38.024 38.460 -1.401 0.000 1.199 330 Y HN 0.057 nan 8.280 nan 0.000 0.517 331 E N 3.636 123.796 120.200 -0.067 0.000 2.265 331 E HA -0.185 4.165 4.350 0.000 0.000 0.196 331 E C 1.388 178.025 176.600 0.062 0.000 0.996 331 E CA 0.863 57.278 56.400 0.025 0.000 0.832 331 E CB -0.028 29.726 29.700 0.090 0.000 0.756 331 E HN 0.843 nan 8.360 nan 0.000 0.491 332 W N -0.288 121.096 121.300 0.140 0.000 3.077 332 W HA 0.022 4.683 4.660 0.000 0.000 0.245 332 W C 1.129 177.710 176.519 0.104 0.000 1.316 332 W CA -0.305 57.088 57.345 0.080 0.000 1.537 332 W CB -0.735 28.728 29.460 0.005 0.000 1.131 332 W HN -0.056 nan 8.180 nan 0.000 0.695 333 F N 3.346 123.108 119.950 -0.313 0.000 2.163 333 F HA -0.236 4.291 4.527 0.000 0.000 0.297 333 F C 2.656 178.466 175.800 0.017 0.000 1.094 333 F CA 2.716 60.589 58.000 -0.211 0.000 1.290 333 F CB -0.295 38.537 39.000 -0.280 0.000 1.017 333 F HN -0.067 nan 8.300 nan 0.000 0.483 334 Q N 0.110 120.016 119.800 0.176 0.000 2.291 334 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 334 Q C 1.440 177.478 176.000 0.064 0.000 0.976 334 Q CA 1.828 57.705 55.803 0.124 0.000 0.875 334 Q CB -1.112 27.700 28.738 0.122 0.000 0.927 334 Q HN 0.466 nan 8.270 nan 0.000 0.450 335 E N 0.499 120.750 120.200 0.085 0.000 2.409 335 E HA -0.056 4.294 4.350 0.000 0.000 0.198 335 E C 1.376 177.995 176.600 0.033 0.000 1.024 335 E CA 0.572 57.020 56.400 0.081 0.000 0.861 335 E CB -0.114 29.667 29.700 0.135 0.000 0.788 335 E HN 0.447 nan 8.360 nan 0.000 0.521 336 L N -0.288 120.909 121.223 -0.043 0.000 2.478 336 L HA 0.049 4.389 4.340 0.000 0.000 0.223 336 L C 1.327 178.174 176.870 -0.038 0.000 1.140 336 L CA 0.307 55.082 54.840 -0.109 0.000 0.842 336 L CB -0.336 41.502 42.059 -0.369 0.000 0.953 336 L HN 0.193 nan 8.230 nan 0.000 0.452 337 G N 1.375 110.176 108.800 0.002 0.000 2.366 337 G HA2 -0.280 3.680 3.960 0.000 0.000 0.299 337 G HA3 -0.280 3.680 3.960 0.000 0.000 0.299 337 G C -0.077 174.885 174.900 0.102 0.000 1.020 337 G CA 0.138 45.276 45.100 0.064 0.000 1.026 337 G HN 0.257 nan 8.290 nan 0.000 0.512 338 L N -0.866 120.357 121.223 -0.001 0.000 2.334 338 L HA 0.880 5.220 4.340 0.000 0.000 0.272 338 L C 0.536 177.315 176.870 -0.151 0.000 1.020 338 L CA -0.875 53.930 54.840 -0.059 0.000 0.812 338 L CB 2.004 43.934 42.059 -0.214 0.000 1.264 338 L HN 0.542 nan 8.230 nan 0.000 0.439 339 K N 0.063 120.240 120.400 -0.372 0.000 2.556 339 K HA 0.527 4.847 4.320 0.000 0.000 0.289 339 K C -2.066 174.558 176.600 0.040 0.000 1.040 339 K CA -1.056 55.111 56.287 -0.201 0.000 0.894 339 K CB 2.256 34.543 32.500 -0.355 0.000 1.547 339 K HN 0.588 nan 8.250 nan 0.000 0.417 340 W N 1.510 122.761 121.300 -0.083 0.000 3.275 340 W HA 0.292 4.952 4.660 0.000 0.000 0.306 340 W C -1.318 175.211 176.519 0.017 0.000 1.259 340 W CA -0.759 56.598 57.345 0.021 0.000 1.194 340 W CB 1.415 30.768 29.460 -0.178 0.000 1.375 340 W HN 0.685 nan 8.180 nan 0.000 0.564 341 Y N 1.129 121.250 120.300 -0.297 0.000 2.357 341 Y HA 0.490 5.040 4.550 0.000 0.000 0.340 341 Y C 0.788 176.832 175.900 0.240 0.000 1.260 341 Y CA 0.287 58.327 58.100 -0.100 0.000 1.425 341 Y CB 0.076 38.366 38.460 -0.284 0.000 1.326 341 Y HN 0.327 nan 8.280 nan 0.000 0.580 342 A N 1.868 124.905 122.820 0.361 0.000 2.147 342 A HA 0.172 4.492 4.320 0.000 0.000 0.211 342 A C 0.297 178.235 177.584 0.590 0.000 1.160 342 A CA -0.002 52.322 52.037 0.477 0.000 0.781 342 A CB -0.148 18.980 19.000 0.213 0.000 0.842 342 A HN 0.631 nan 8.150 nan 0.000 0.475 343 L N 2.129 123.647 121.223 0.492 0.000 2.255 343 L HA 0.424 4.764 4.340 0.000 0.000 0.289 343 L C -2.558 174.472 176.870 0.267 0.000 1.046 343 L CA -2.199 52.834 54.840 0.322 0.000 0.816 343 L CB 1.377 43.542 42.059 0.176 0.000 1.197 343 L HN -0.044 nan 8.230 nan 0.000 0.427 344 P HA 0.350 nan 4.420 nan 0.000 0.273 344 P C -1.436 175.764 177.300 -0.166 0.000 1.531 344 P CA -0.309 62.609 63.100 -0.303 0.000 1.027 344 P CB 1.141 32.322 31.700 -0.864 0.000 1.387 345 A N 4.203 126.944 122.820 -0.132 0.000 2.319 345 A HA 0.479 4.799 4.320 0.000 0.000 0.310 345 A C -0.250 177.156 177.584 -0.298 0.000 1.152 345 A CA -0.712 51.199 52.037 -0.211 0.000 0.783 345 A CB 1.237 20.106 19.000 -0.219 0.000 1.184 345 A HN 0.279 nan 8.150 nan 0.000 0.474 346 V N 2.487 122.116 119.914 -0.475 0.000 2.470 346 V HA 0.374 4.494 4.120 0.000 0.000 0.276 346 V C 1.190 176.893 176.094 -0.652 0.000 1.040 346 V CA 0.922 62.869 62.300 -0.588 0.000 1.008 346 V CB 0.922 32.210 31.823 -0.892 0.000 0.990 346 V HN 1.111 nan 8.190 nan 0.000 0.477 347 A N 4.315 126.902 122.820 -0.388 0.000 2.259 347 A HA 0.131 4.451 4.320 0.000 0.000 0.213 347 A C 1.361 178.837 177.584 -0.180 0.000 1.209 347 A CA 0.348 52.218 52.037 -0.279 0.000 0.910 347 A CB -0.023 18.863 19.000 -0.191 0.000 0.946 347 A HN 0.812 nan 8.150 nan 0.000 0.497 348 N N -0.575 118.025 118.700 -0.166 0.000 2.214 348 N HA 0.225 4.965 4.740 0.000 0.000 0.214 348 N C 0.006 175.507 175.510 -0.016 0.000 1.132 348 N CA -0.106 52.895 53.050 -0.082 0.000 0.856 348 N CB -0.289 38.142 38.487 -0.093 0.000 1.020 348 N HN 0.369 nan 8.380 nan 0.000 0.509 349 M N 0.488 120.077 119.600 -0.018 0.000 2.368 349 M HA 0.353 4.833 4.480 0.000 0.000 0.311 349 M C -0.417 176.010 176.300 0.211 0.000 1.168 349 M CA -0.883 54.493 55.300 0.128 0.000 1.044 349 M CB 2.076 34.775 32.600 0.164 0.000 1.506 349 M HN 0.064 nan 8.290 nan 0.000 0.475 350 L N 2.618 124.009 121.223 0.281 0.000 2.307 350 L HA 0.543 4.883 4.340 0.000 0.000 0.284 350 L C -1.385 175.727 176.870 0.403 0.000 1.023 350 L CA -1.012 54.012 54.840 0.308 0.000 0.810 350 L CB 1.273 43.472 42.059 0.232 0.000 1.231 350 L HN 0.599 nan 8.230 nan 0.000 0.423 351 L N 5.090 126.553 121.223 0.399 0.000 2.260 351 L HA 0.440 4.780 4.340 0.000 0.000 0.289 351 L C -0.368 176.676 176.870 0.289 0.000 1.057 351 L CA 0.343 55.360 54.840 0.295 0.000 0.811 351 L CB 0.939 43.131 42.059 0.222 0.000 1.184 351 L HN 0.617 nan 8.230 nan 0.000 0.429 352 E N 4.809 125.137 120.200 0.213 0.000 2.156 352 E HA 0.497 4.848 4.350 0.000 0.000 0.279 352 E C -1.779 174.853 176.600 0.054 0.000 0.965 352 E CA -0.338 56.170 56.400 0.179 0.000 0.789 352 E CB 1.781 31.671 29.700 0.317 0.000 1.098 352 E HN 0.530 nan 8.360 nan 0.000 0.397 353 V N 3.226 123.138 119.914 -0.004 0.000 2.789 353 V HA 0.455 4.575 4.120 0.000 0.000 0.300 353 V C 0.334 176.308 176.094 -0.200 0.000 1.184 353 V CA 0.408 62.599 62.300 -0.182 0.000 0.930 353 V CB 1.374 32.989 31.823 -0.347 0.000 1.041 353 V HN 0.853 nan 8.190 nan 0.000 0.430 354 G N 4.323 113.045 108.800 -0.129 0.000 2.416 354 G HA2 0.068 4.028 3.960 0.000 0.000 0.301 354 G HA3 0.068 4.028 3.960 0.000 0.000 0.301 354 G C 1.620 176.660 174.900 0.235 0.000 0.985 354 G CA 1.574 46.767 45.100 0.154 0.000 0.934 354 G HN 2.746 nan 8.290 nan 0.000 0.513 355 G N -2.132 106.720 108.800 0.086 0.000 2.234 355 G HA2 -0.227 3.733 3.960 0.000 0.000 0.235 355 G HA3 -0.227 3.733 3.960 0.000 0.000 0.235 355 G C 0.525 175.441 174.900 0.026 0.000 0.997 355 G CA 0.417 45.583 45.100 0.110 0.000 0.623 355 G HN 1.223 nan 8.290 nan 0.000 0.514 356 L N 0.544 121.740 121.223 -0.045 0.000 2.421 356 L HA 0.701 5.041 4.340 0.000 0.000 0.263 356 L C 0.302 177.058 176.870 -0.191 0.000 1.122 356 L CA -0.492 54.223 54.840 -0.207 0.000 0.804 356 L CB 1.080 42.916 42.059 -0.371 0.000 1.150 356 L HN 0.178 nan 8.230 nan 0.000 0.457 357 E N 1.545 121.551 120.200 -0.325 0.000 2.241 357 E HA 0.364 4.714 4.350 0.000 0.000 0.263 357 E C -1.632 174.782 176.600 -0.310 0.000 0.882 357 E CA -0.389 55.906 56.400 -0.174 0.000 0.769 357 E CB 1.850 31.489 29.700 -0.101 0.000 1.185 357 E HN 0.251 nan 8.360 nan 0.000 0.415 358 F N 3.428 123.392 119.950 0.023 0.000 2.291 358 F HA 0.305 4.832 4.527 0.000 0.000 0.368 358 F C -1.744 174.118 175.800 0.104 0.000 1.085 358 F CA -2.304 55.727 58.000 0.052 0.000 1.165 358 F CB 1.154 40.180 39.000 0.043 0.000 1.429 358 F HN 0.359 nan 8.300 nan 0.000 0.503 359 P HA -0.083 nan 4.420 nan 0.000 0.225 359 P C -0.136 177.287 177.300 0.204 0.000 1.148 359 P CA 0.807 64.010 63.100 0.173 0.000 0.779 359 P CB 0.414 32.191 31.700 0.128 0.000 0.780 360 A N -0.140 122.849 122.820 0.281 0.000 2.385 360 A HA 0.589 4.909 4.320 0.000 0.000 0.290 360 A C -0.573 177.262 177.584 0.418 0.000 1.094 360 A CA -0.453 51.765 52.037 0.302 0.000 0.729 360 A CB 0.532 19.690 19.000 0.264 0.000 1.194 360 A HN 0.230 nan 8.150 nan 0.000 0.442 361 C N 1.095 120.582 119.300 0.312 0.000 3.096 361 C HA 0.493 4.953 4.460 0.000 0.000 0.329 361 C C -2.942 172.137 174.990 0.148 0.000 0.912 361 C CA -1.299 57.873 59.018 0.257 0.000 1.168 361 C CB -0.229 27.650 27.740 0.231 0.000 1.627 361 C HN 0.614 nan 8.230 nan 0.000 0.622 362 P HA 0.521 nan 4.420 nan 0.000 0.272 362 P C -0.682 176.592 177.300 -0.044 0.000 1.223 362 P CA 0.660 63.658 63.100 -0.170 0.000 0.784 362 P CB 0.799 32.406 31.700 -0.155 0.000 0.923 363 F N -0.712 119.168 119.950 -0.116 0.000 2.645 363 F HA 0.661 5.188 4.527 0.000 0.000 0.310 363 F C -0.949 174.743 175.800 -0.180 0.000 1.102 363 F CA -1.132 56.797 58.000 -0.118 0.000 0.952 363 F CB 1.505 40.294 39.000 -0.353 0.000 1.326 363 F HN 0.411 nan 8.300 nan 0.000 0.456 364 N N -0.187 118.586 118.700 0.123 0.000 2.708 364 N HA 0.732 5.472 4.740 0.000 0.000 0.257 364 N C -1.265 174.153 175.510 -0.152 0.000 1.373 364 N CA -0.382 52.658 53.050 -0.015 0.000 0.843 364 N CB 1.902 40.423 38.487 0.057 0.000 1.503 364 N HN 1.091 nan 8.380 nan 0.000 0.504 365 G N -0.899 107.774 108.800 -0.211 0.000 3.253 365 G HA2 0.668 4.629 3.960 0.000 0.000 0.175 365 G HA3 0.668 4.629 3.960 0.000 0.000 0.175 365 G C -1.808 173.016 174.900 -0.128 0.000 1.098 365 G CA -0.635 44.247 45.100 -0.362 0.000 0.790 365 G HN 0.692 nan 8.290 nan 0.000 0.648 366 W N -1.460 119.844 121.300 0.006 0.000 2.882 366 W HA 0.812 5.472 4.660 0.000 0.000 0.345 366 W C -1.350 175.171 176.519 0.004 0.000 1.125 366 W CA -2.332 55.033 57.345 0.034 0.000 1.167 366 W CB 0.306 29.817 29.460 0.087 0.000 1.431 366 W HN 0.423 nan 8.180 nan 0.000 0.543 367 Y N 2.429 122.901 120.300 0.286 0.000 2.550 367 Y HA 0.155 4.705 4.550 0.000 0.000 0.343 367 Y C 0.761 176.695 175.900 0.056 0.000 1.245 367 Y CA -0.025 58.123 58.100 0.080 0.000 1.462 367 Y CB 0.812 39.219 38.460 -0.088 0.000 1.340 367 Y HN 0.465 nan 8.280 nan 0.000 0.604 368 M N 2.514 122.250 119.600 0.227 0.000 2.167 368 M HA 0.342 4.822 4.480 0.000 0.000 0.333 368 M C 1.102 177.378 176.300 -0.041 0.000 1.030 368 M CA -0.170 55.187 55.300 0.095 0.000 0.963 368 M CB 1.324 33.967 32.600 0.072 0.000 1.589 368 M HN 0.849 nan 8.290 nan 0.000 0.431 369 G N 1.834 110.554 108.800 -0.135 0.000 2.606 369 G HA2 -0.354 3.606 3.960 0.000 0.000 0.221 369 G HA3 -0.354 3.606 3.960 0.000 0.000 0.221 369 G C 1.125 175.851 174.900 -0.290 0.000 1.152 369 G CA 2.033 46.978 45.100 -0.259 0.000 0.765 369 G HN 0.869 nan 8.290 nan 0.000 0.595 370 T N -0.722 113.678 114.554 -0.256 0.000 2.849 370 T HA -0.062 4.288 4.350 0.000 0.000 0.270 370 T C 1.940 176.462 174.700 -0.297 0.000 1.066 370 T CA 1.675 63.582 62.100 -0.321 0.000 1.130 370 T CB -0.310 68.314 68.868 -0.407 0.000 0.864 370 T HN 0.575 nan 8.240 nan 0.000 0.481 371 E N 0.994 121.048 120.200 -0.243 0.000 2.077 371 E HA -0.049 4.301 4.350 0.000 0.000 0.193 371 E C 2.140 178.469 176.600 -0.452 0.000 0.989 371 E CA 1.394 57.663 56.400 -0.218 0.000 0.800 371 E CB -0.312 29.404 29.700 0.026 0.000 0.746 371 E HN 0.585 nan 8.360 nan 0.000 0.452 372 I N 0.483 120.635 120.570 -0.697 0.000 2.270 372 I HA -0.064 4.106 4.170 0.000 0.000 0.239 372 I C 2.638 178.146 176.117 -1.015 0.000 1.080 372 I CA 0.938 61.522 61.300 -1.194 0.000 1.383 372 I CB -0.569 36.624 38.000 -1.343 0.000 1.097 372 I HN 0.108 nan 8.210 nan 0.000 0.420 373 G N 0.506 108.959 108.800 -0.577 0.000 2.450 373 G HA2 -0.135 3.825 3.960 0.000 0.000 0.220 373 G HA3 -0.135 3.825 3.960 0.000 0.000 0.220 373 G C 1.547 176.369 174.900 -0.130 0.000 1.130 373 G CA 1.201 46.165 45.100 -0.227 0.000 0.760 373 G HN 0.263 nan 8.290 nan 0.000 0.557 374 V N -0.330 119.451 119.914 -0.222 0.000 2.743 374 V HA 0.131 4.251 4.120 0.000 0.000 0.237 374 V C 2.685 178.697 176.094 -0.136 0.000 1.113 374 V CA 0.562 62.774 62.300 -0.147 0.000 1.141 374 V CB -0.110 31.602 31.823 -0.184 0.000 0.873 374 V HN 0.078 nan 8.190 nan 0.000 0.486 375 R N 0.836 121.215 120.500 -0.201 0.000 2.055 375 R HA -0.022 4.318 4.340 0.000 0.000 0.226 375 R C 1.936 178.158 176.300 -0.129 0.000 1.135 375 R CA 1.504 57.514 56.100 -0.151 0.000 0.959 375 R CB -1.002 29.201 30.300 -0.162 0.000 0.854 375 R HN 0.466 nan 8.270 nan 0.000 0.431 376 D N 0.321 120.531 120.400 -0.316 0.000 2.097 376 D HA -0.109 4.531 4.640 0.000 0.000 0.195 376 D C 1.803 178.087 176.300 -0.027 0.000 0.989 376 D CA 1.118 54.903 54.000 -0.358 0.000 0.827 376 D CB -0.170 39.878 40.800 -1.254 0.000 0.966 376 D HN 0.098 nan 8.370 nan 0.000 0.456 377 F N 0.066 119.914 119.950 -0.169 0.000 2.569 377 F HA 0.060 4.587 4.527 0.000 0.000 0.295 377 F C 2.235 178.077 175.800 0.070 0.000 1.115 377 F CA -0.287 57.712 58.000 -0.002 0.000 1.450 377 F CB -0.481 38.505 39.000 -0.022 0.000 1.107 377 F HN 0.043 nan 8.300 nan 0.000 0.563 378 C N -1.500 117.919 119.300 0.198 0.000 3.188 378 C HA 0.211 4.671 4.460 0.000 0.000 0.315 378 C C 0.444 175.486 174.990 0.087 0.000 1.285 378 C CA -0.612 58.486 59.018 0.134 0.000 1.729 378 C CB -0.382 27.405 27.740 0.079 0.000 2.257 378 C HN 0.046 nan 8.230 nan 0.000 0.645 379 D N 1.975 122.417 120.400 0.071 0.000 2.488 379 D HA 0.063 4.703 4.640 0.000 0.000 0.238 379 D C 1.549 177.897 176.300 0.080 0.000 1.138 379 D CA 0.544 54.576 54.000 0.052 0.000 0.873 379 D CB 1.035 41.862 40.800 0.045 0.000 1.183 379 D HN 0.437 nan 8.370 nan 0.000 0.458 380 T N -0.268 114.322 114.554 0.060 0.000 2.881 380 T HA -0.239 4.111 4.350 0.000 0.000 0.270 380 T C 1.334 176.071 174.700 0.062 0.000 1.068 380 T CA 0.800 62.939 62.100 0.066 0.000 1.131 380 T CB -0.013 68.887 68.868 0.054 0.000 0.871 380 T HN 0.447 nan 8.240 nan 0.000 0.479 381 Q N 0.870 120.704 119.800 0.057 0.000 2.280 381 Q HA 0.195 4.535 4.340 0.000 0.000 0.202 381 Q C 0.806 176.843 176.000 0.062 0.000 0.903 381 Q CA -0.081 55.753 55.803 0.050 0.000 0.948 381 Q CB 0.081 28.846 28.738 0.045 0.000 1.058 381 Q HN 0.386 nan 8.270 nan 0.000 0.493 382 R N -0.503 120.054 120.500 0.094 0.000 2.769 382 R HA 0.259 4.599 4.340 0.000 0.000 0.117 382 R C 1.337 177.706 176.300 0.114 0.000 1.152 382 R CA -0.453 55.736 56.100 0.149 0.000 0.887 382 R CB -1.079 29.370 30.300 0.248 0.000 1.099 382 R HN 0.061 nan 8.270 nan 0.000 0.398 383 Y N 1.610 122.038 120.300 0.213 0.000 2.497 383 Y HA -0.094 4.456 4.550 0.000 0.000 0.292 383 Y C 0.688 176.679 175.900 0.152 0.000 1.137 383 Y CA 0.908 59.140 58.100 0.220 0.000 1.285 383 Y CB -0.498 38.187 38.460 0.375 0.000 0.991 383 Y HN 0.516 nan 8.280 nan 0.000 0.556 384 N N 0.838 119.689 118.700 0.251 0.000 2.678 384 N HA -0.236 4.504 4.740 0.000 0.000 0.268 384 N C 0.350 175.956 175.510 0.161 0.000 1.010 384 N CA 0.813 53.965 53.050 0.171 0.000 0.784 384 N CB -1.242 37.312 38.487 0.112 0.000 0.905 384 N HN 0.663 nan 8.380 nan 0.000 0.552 385 I N -2.932 117.746 120.570 0.180 0.000 3.883 385 I HA 0.125 4.295 4.170 0.000 0.000 0.326 385 I C 1.620 177.832 176.117 0.158 0.000 1.283 385 I CA -0.408 60.969 61.300 0.129 0.000 1.161 385 I CB -0.085 37.946 38.000 0.052 0.000 1.012 385 I HN 0.189 nan 8.210 nan 0.000 0.421 386 L N 1.909 123.248 121.223 0.194 0.000 1.990 386 L HA -0.246 4.094 4.340 0.000 0.000 0.213 386 L C 2.543 179.640 176.870 0.378 0.000 1.072 386 L CA 2.240 57.235 54.840 0.259 0.000 0.755 386 L CB -0.787 41.387 42.059 0.192 0.000 0.889 386 L HN 0.470 nan 8.230 nan 0.000 0.432 387 E N -1.044 119.349 120.200 0.321 0.000 2.077 387 E HA -0.308 4.042 4.350 0.000 0.000 0.193 387 E C 2.060 178.668 176.600 0.013 0.000 0.989 387 E CA 1.299 57.804 56.400 0.175 0.000 0.800 387 E CB -0.042 29.704 29.700 0.077 0.000 0.746 387 E HN 0.551 nan 8.360 nan 0.000 0.452 388 E N 0.166 120.388 120.200 0.035 0.000 2.049 388 E HA -0.187 4.163 4.350 0.000 0.000 0.198 388 E C 1.979 178.568 176.600 -0.018 0.000 1.007 388 E CA 1.805 58.191 56.400 -0.023 0.000 0.809 388 E CB -0.360 29.339 29.700 -0.001 0.000 0.749 388 E HN 0.152 nan 8.360 nan 0.000 0.450 389 V N 0.475 120.462 119.914 0.122 0.000 2.490 389 V HA -0.197 3.923 4.120 0.000 0.000 0.250 389 V C 2.245 178.446 176.094 0.178 0.000 1.061 389 V CA 1.810 64.267 62.300 0.263 0.000 1.064 389 V CB -1.163 30.910 31.823 0.416 0.000 0.670 389 V HN 0.510 nan 8.190 nan 0.000 0.461 390 G N 0.267 109.161 108.800 0.155 0.000 2.480 390 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 390 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 390 G C 1.691 176.491 174.900 -0.166 0.000 1.200 390 G CA 0.866 46.005 45.100 0.065 0.000 0.782 390 G HN 0.445 nan 8.290 nan 0.000 0.554 391 R N 0.113 120.448 120.500 -0.276 0.000 2.083 391 R HA -0.041 4.299 4.340 0.000 0.000 0.237 391 R C 2.638 178.709 176.300 -0.381 0.000 1.137 391 R CA 1.219 57.127 56.100 -0.320 0.000 0.951 391 R CB -0.411 29.712 30.300 -0.295 0.000 0.851 391 R HN 0.257 nan 8.270 nan 0.000 0.434 392 R N 0.308 120.490 120.500 -0.531 0.000 2.293 392 R HA -0.044 4.296 4.340 0.000 0.000 0.219 392 R C 1.734 177.493 176.300 -0.902 0.000 1.091 392 R CA 0.942 56.432 56.100 -1.017 0.000 1.004 392 R CB -0.117 29.049 30.300 -1.890 0.000 0.865 392 R HN 0.336 nan 8.270 nan 0.000 0.469 393 M N -0.842 118.512 119.600 -0.409 0.000 2.371 393 M HA 0.155 4.635 4.480 0.000 0.000 0.246 393 M C 0.646 176.855 176.300 -0.151 0.000 1.103 393 M CA 0.265 55.450 55.300 -0.192 0.000 1.010 393 M CB 0.993 33.626 32.600 0.056 0.000 1.457 393 M HN 0.303 nan 8.290 nan 0.000 0.486 394 G N 2.226 110.903 108.800 -0.206 0.000 2.246 394 G HA2 -0.231 3.729 3.960 0.000 0.000 0.273 394 G HA3 -0.231 3.729 3.960 0.000 0.000 0.273 394 G C -0.177 174.661 174.900 -0.103 0.000 1.055 394 G CA -0.045 44.962 45.100 -0.155 0.000 0.851 394 G HN 0.404 nan 8.290 nan 0.000 0.500 395 L N -1.055 120.099 121.223 -0.114 0.000 2.416 395 L HA 0.481 4.821 4.340 0.000 0.000 0.262 395 L C 0.904 177.662 176.870 -0.186 0.000 1.093 395 L CA -0.930 53.867 54.840 -0.071 0.000 0.801 395 L CB 0.757 42.841 42.059 0.041 0.000 1.191 395 L HN 0.155 nan 8.230 nan 0.000 0.459 396 E N 0.101 120.228 120.200 -0.123 0.000 1.972 396 E HA -0.002 4.348 4.350 0.000 0.000 0.292 396 E C 0.643 176.985 176.600 -0.430 0.000 1.193 396 E CA -0.090 56.213 56.400 -0.161 0.000 1.228 396 E CB -0.082 29.612 29.700 -0.009 0.000 1.167 396 E HN 0.620 nan 8.360 nan 0.000 0.479 397 T N -1.843 112.186 114.554 -0.876 0.000 3.228 397 T HA -0.123 4.227 4.350 0.000 0.000 0.261 397 T C 0.881 174.988 174.700 -0.988 0.000 1.171 397 T CA 0.614 61.682 62.100 -1.719 0.000 1.056 397 T CB -0.101 67.771 68.868 -1.661 0.000 0.938 397 T HN 0.389 nan 8.240 nan 0.000 0.539 398 H N 0.095 118.984 119.070 -0.301 0.000 2.755 398 H HA 0.278 4.834 4.556 0.000 0.000 0.273 398 H C -0.074 175.274 175.328 0.033 0.000 1.055 398 H CA -0.011 55.983 56.048 -0.090 0.000 1.191 398 H CB 0.902 30.610 29.762 -0.089 0.000 1.536 398 H HN 0.355 nan 8.280 nan 0.000 0.529 399 T N 1.996 116.655 114.554 0.175 0.000 2.934 399 T HA 0.231 4.581 4.350 0.000 0.000 0.328 399 T C 1.511 176.397 174.700 0.311 0.000 1.068 399 T CA -0.371 61.850 62.100 0.202 0.000 1.018 399 T CB 1.598 70.551 68.868 0.142 0.000 1.009 399 T HN 0.040 nan 8.240 nan 0.000 0.471 400 L N 1.936 123.322 121.223 0.271 0.000 1.990 400 L HA -0.200 4.140 4.340 0.000 0.000 0.213 400 L C 2.863 179.809 176.870 0.126 0.000 1.072 400 L CA 1.761 56.724 54.840 0.203 0.000 0.755 400 L CB -0.521 41.605 42.059 0.111 0.000 0.889 400 L HN 0.763 nan 8.230 nan 0.000 0.432 401 A N -0.199 122.686 122.820 0.108 0.000 2.139 401 A HA -0.215 4.105 4.320 0.000 0.000 0.221 401 A C 2.361 180.000 177.584 0.093 0.000 1.159 401 A CA 1.736 53.819 52.037 0.077 0.000 0.662 401 A CB -0.636 18.403 19.000 0.066 0.000 0.796 401 A HN 0.604 nan 8.150 nan 0.000 0.463 402 S N -0.565 115.227 115.700 0.152 0.000 2.507 402 S HA 0.077 4.547 4.470 0.000 0.000 0.235 402 S C 0.880 175.571 174.600 0.153 0.000 0.988 402 S CA 0.678 58.976 58.200 0.164 0.000 0.944 402 S CB -0.784 62.549 63.200 0.221 0.000 0.762 402 S HN 0.885 nan 8.310 nan 0.000 0.526 403 L N 0.367 121.648 121.223 0.097 0.000 3.843 403 L HA -0.174 4.166 4.340 0.000 0.000 0.411 403 L C 1.602 178.490 176.870 0.030 0.000 1.205 403 L CA 0.782 55.624 54.840 0.004 0.000 0.945 403 L CB -2.619 39.452 42.059 0.020 0.000 1.929 403 L HN 0.759 nan 8.230 nan 0.000 0.934 404 W N 0.165 121.482 121.300 0.028 0.000 2.388 404 W HA -0.111 4.550 4.660 0.000 0.000 0.294 404 W C 1.699 178.244 176.519 0.043 0.000 1.212 404 W CA 1.199 58.563 57.345 0.031 0.000 1.271 404 W CB -0.710 28.756 29.460 0.010 0.000 1.126 404 W HN 0.254 nan 8.180 nan 0.000 0.535 405 K N 1.028 120.892 120.400 -0.893 0.000 2.097 405 K HA -0.167 4.153 4.320 0.000 0.000 0.206 405 K C 1.431 177.871 176.600 -0.265 0.000 1.049 405 K CA 2.283 58.090 56.287 -0.801 0.000 0.933 405 K CB -0.312 31.606 32.500 -0.971 0.000 0.717 405 K HN 0.078 nan 8.250 nan 0.000 0.442 406 D N 0.179 120.472 120.400 -0.178 0.000 2.144 406 D HA -0.086 4.554 4.640 0.000 0.000 0.200 406 D C 1.875 178.187 176.300 0.019 0.000 0.978 406 D CA 0.994 54.956 54.000 -0.063 0.000 0.833 406 D CB 0.055 40.831 40.800 -0.041 0.000 0.961 406 D HN 0.095 nan 8.370 nan 0.000 0.470 407 R N 0.376 120.917 120.500 0.069 0.000 2.090 407 R HA 0.114 4.454 4.340 0.000 0.000 0.228 407 R C 2.218 178.631 176.300 0.188 0.000 1.110 407 R CA 1.035 57.217 56.100 0.137 0.000 0.973 407 R CB -0.174 30.230 30.300 0.174 0.000 0.869 407 R HN 0.129 nan 8.270 nan 0.000 0.440 408 A N 0.547 123.496 122.820 0.216 0.000 1.845 408 A HA -0.138 4.182 4.320 0.000 0.000 0.215 408 A C 2.230 179.947 177.584 0.221 0.000 1.195 408 A CA 1.480 53.686 52.037 0.282 0.000 0.616 408 A CB -0.971 18.244 19.000 0.359 0.000 0.832 408 A HN 0.196 nan 8.150 nan 0.000 0.443 409 V N 0.010 119.999 119.914 0.125 0.000 2.453 409 V HA -0.229 3.891 4.120 0.000 0.000 0.252 409 V C 2.518 178.663 176.094 0.085 0.000 1.068 409 V CA 2.958 65.313 62.300 0.092 0.000 1.070 409 V CB -0.856 30.973 31.823 0.010 0.000 0.664 409 V HN 0.658 nan 8.190 nan 0.000 0.461 410 T N -0.396 114.210 114.554 0.088 0.000 2.777 410 T HA -0.105 4.245 4.350 0.000 0.000 0.266 410 T C 1.795 176.545 174.700 0.082 0.000 1.040 410 T CA 1.383 63.529 62.100 0.076 0.000 1.141 410 T CB -0.219 68.697 68.868 0.080 0.000 0.868 410 T HN 0.495 nan 8.240 nan 0.000 0.444 411 E N 1.045 121.334 120.200 0.149 0.000 2.110 411 E HA -0.013 4.337 4.350 0.000 0.000 0.193 411 E C 2.190 178.845 176.600 0.091 0.000 0.988 411 E CA 0.691 57.199 56.400 0.179 0.000 0.804 411 E CB -0.409 29.494 29.700 0.338 0.000 0.745 411 E HN 0.532 nan 8.360 nan 0.000 0.458 412 I N 1.480 122.152 120.570 0.169 0.000 2.179 412 I HA -0.267 3.903 4.170 0.000 0.000 0.242 412 I C 2.051 178.197 176.117 0.049 0.000 1.088 412 I CA 0.865 62.274 61.300 0.181 0.000 1.357 412 I CB -0.340 37.852 38.000 0.319 0.000 1.051 412 I HN 0.040 nan 8.210 nan 0.000 0.409 413 N N 0.626 119.339 118.700 0.021 0.000 2.166 413 N HA -0.129 4.611 4.740 0.000 0.000 0.186 413 N C 1.901 177.368 175.510 -0.071 0.000 1.019 413 N CA 1.153 54.181 53.050 -0.038 0.000 0.856 413 N CB -0.239 38.227 38.487 -0.036 0.000 0.993 413 N HN 0.173 nan 8.380 nan 0.000 0.426 414 V N 1.380 121.228 119.914 -0.111 0.000 2.427 414 V HA -0.143 3.977 4.120 0.000 0.000 0.248 414 V C 2.385 178.298 176.094 -0.302 0.000 1.051 414 V CA 1.564 63.740 62.300 -0.207 0.000 1.048 414 V CB -0.795 30.850 31.823 -0.296 0.000 0.666 414 V HN 0.261 nan 8.190 nan 0.000 0.456 415 A N -0.026 122.561 122.820 -0.388 0.000 1.858 415 A HA -0.163 4.157 4.320 0.000 0.000 0.216 415 A C 2.416 179.931 177.584 -0.114 0.000 1.190 415 A CA 2.108 53.881 52.037 -0.441 0.000 0.617 415 A CB -0.776 17.675 19.000 -0.915 0.000 0.827 415 A HN 0.300 nan 8.150 nan 0.000 0.443 416 V N 0.219 120.115 119.914 -0.029 0.000 2.252 416 V HA -0.307 3.813 4.120 0.000 0.000 0.249 416 V C 2.626 178.753 176.094 0.056 0.000 1.056 416 V CA 2.235 64.570 62.300 0.058 0.000 1.022 416 V CB -0.823 30.957 31.823 -0.071 0.000 0.641 416 V HN 0.573 nan 8.190 nan 0.000 0.445 417 L N -0.746 120.457 121.223 -0.033 0.000 2.017 417 L HA -0.211 4.129 4.340 0.000 0.000 0.208 417 L C 2.624 179.517 176.870 0.037 0.000 1.073 417 L CA 2.131 56.960 54.840 -0.019 0.000 0.745 417 L CB -1.001 41.038 42.059 -0.034 0.000 0.894 417 L HN 0.509 nan 8.230 nan 0.000 0.432 418 H N -0.063 118.952 119.070 -0.091 0.000 2.319 418 H HA -0.167 4.389 4.556 0.000 0.000 0.299 418 H C 2.260 177.567 175.328 -0.035 0.000 1.092 418 H CA 1.916 57.901 56.048 -0.104 0.000 1.302 418 H CB 0.338 29.969 29.762 -0.219 0.000 1.373 418 H HN 0.266 nan 8.280 nan 0.000 0.497 419 S N 0.262 115.865 115.700 -0.162 0.000 2.348 419 S HA -0.119 4.351 4.470 0.000 0.000 0.221 419 S C 1.962 176.521 174.600 -0.068 0.000 1.033 419 S CA 1.257 59.359 58.200 -0.163 0.000 1.010 419 S CB -0.549 62.655 63.200 0.008 0.000 0.891 419 S HN 0.303 nan 8.310 nan 0.000 0.442 420 F N 2.085 121.964 119.950 -0.118 0.000 2.171 420 F HA -0.124 4.403 4.527 0.000 0.000 0.300 420 F C 2.623 178.364 175.800 -0.098 0.000 1.090 420 F CA 1.094 59.045 58.000 -0.081 0.000 1.293 420 F CB -0.561 38.407 39.000 -0.053 0.000 1.013 420 F HN 0.243 nan 8.300 nan 0.000 0.486 421 Q N -0.174 119.664 119.800 0.064 0.000 2.016 421 Q HA -0.227 4.113 4.340 0.000 0.000 0.200 421 Q C 2.266 178.219 176.000 -0.078 0.000 0.978 421 Q CA 1.635 57.430 55.803 -0.014 0.000 0.833 421 Q CB -0.289 28.436 28.738 -0.022 0.000 0.895 421 Q HN 0.314 nan 8.270 nan 0.000 0.427 422 K N 0.903 121.199 120.400 -0.175 0.000 2.063 422 K HA -0.187 4.133 4.320 0.000 0.000 0.208 422 K C 1.414 177.938 176.600 -0.127 0.000 1.048 422 K CA 1.358 57.535 56.287 -0.183 0.000 0.928 422 K CB 0.134 32.439 32.500 -0.325 0.000 0.713 422 K HN 0.164 nan 8.250 nan 0.000 0.442 423 Q N 0.594 120.313 119.800 -0.135 0.000 2.282 423 Q HA 0.080 4.420 4.340 0.000 0.000 0.205 423 Q C -0.622 175.322 176.000 -0.093 0.000 0.915 423 Q CA -0.203 55.528 55.803 -0.120 0.000 0.949 423 Q CB 0.268 28.907 28.738 -0.164 0.000 1.035 423 Q HN 0.303 nan 8.270 nan 0.000 0.484 424 N N -0.094 118.565 118.700 -0.067 0.000 2.721 424 N HA -0.155 4.585 4.740 0.000 0.000 0.249 424 N C -1.250 174.243 175.510 -0.029 0.000 1.072 424 N CA 0.633 53.657 53.050 -0.044 0.000 0.710 424 N CB -1.274 37.187 38.487 -0.043 0.000 0.993 424 N HN 0.050 nan 8.380 nan 0.000 0.547 425 V N 0.773 120.685 119.914 -0.003 0.000 2.398 425 V HA 0.236 4.356 4.120 0.000 0.000 0.286 425 V C 0.864 177.073 176.094 0.191 0.000 1.026 425 V CA -0.664 61.673 62.300 0.062 0.000 0.868 425 V CB 1.991 33.781 31.823 -0.054 0.000 0.982 425 V HN 0.150 nan 8.190 nan 0.000 0.443 426 T N 6.625 121.244 114.554 0.108 0.000 2.871 426 T HA 0.388 4.738 4.350 0.000 0.000 0.296 426 T C -0.237 174.516 174.700 0.089 0.000 0.998 426 T CA 0.944 63.034 62.100 -0.016 0.000 1.162 426 T CB -0.038 68.714 68.868 -0.193 0.000 0.947 426 T HN 0.576 nan 8.240 nan 0.000 0.536 427 I N 2.531 123.067 120.570 -0.057 0.000 2.947 427 I HA 0.590 4.760 4.170 0.000 0.000 0.301 427 I C -1.654 174.421 176.117 -0.070 0.000 1.453 427 I CA -1.125 60.129 61.300 -0.075 0.000 0.984 427 I CB 2.138 39.948 38.000 -0.316 0.000 1.333 427 I HN 0.625 nan 8.210 nan 0.000 0.475 428 M N 4.689 124.304 119.600 0.025 0.000 2.393 428 M HA 0.390 4.870 4.480 0.000 0.000 0.299 428 M C -1.604 174.730 176.300 0.057 0.000 1.103 428 M CA -0.501 54.841 55.300 0.070 0.000 0.910 428 M CB 1.803 34.534 32.600 0.218 0.000 1.659 428 M HN 0.630 nan 8.290 nan 0.000 0.445 429 D N 1.733 122.168 120.400 0.059 0.000 2.344 429 D HA 0.101 4.741 4.640 0.000 0.000 0.244 429 D C 1.056 177.423 176.300 0.110 0.000 1.134 429 D CA -0.157 53.905 54.000 0.102 0.000 0.930 429 D CB 0.581 41.432 40.800 0.085 0.000 1.175 429 D HN 0.690 nan 8.370 nan 0.000 0.437 430 H N 0.279 119.290 119.070 -0.097 0.000 2.457 430 H HA -0.119 4.437 4.556 0.000 0.000 0.294 430 H C 1.088 176.328 175.328 -0.148 0.000 1.064 430 H CA 1.308 57.266 56.048 -0.151 0.000 1.330 430 H CB -0.695 28.920 29.762 -0.246 0.000 1.395 430 H HN 0.539 nan 8.280 nan 0.000 0.541 431 H N 1.010 119.850 119.070 -0.385 0.000 2.299 431 H HA -0.042 4.514 4.556 0.000 0.000 0.302 431 H C 1.930 177.217 175.328 -0.068 0.000 1.078 431 H CA 2.038 57.942 56.048 -0.240 0.000 1.323 431 H CB -0.322 29.273 29.762 -0.278 0.000 1.381 431 H HN 0.389 nan 8.280 nan 0.000 0.498 432 T N 1.149 115.753 114.554 0.084 0.000 2.788 432 T HA -0.086 4.264 4.350 0.000 0.000 0.268 432 T C 2.298 177.062 174.700 0.106 0.000 1.044 432 T CA 1.115 63.266 62.100 0.084 0.000 1.139 432 T CB -0.345 68.565 68.868 0.071 0.000 0.867 432 T HN 0.428 nan 8.240 nan 0.000 0.454 433 A N 1.342 124.228 122.820 0.109 0.000 1.898 433 A HA -0.058 4.262 4.320 0.000 0.000 0.216 433 A C 2.622 180.301 177.584 0.158 0.000 1.181 433 A CA 1.775 53.897 52.037 0.142 0.000 0.620 433 A CB -0.836 18.242 19.000 0.129 0.000 0.819 433 A HN 0.430 nan 8.150 nan 0.000 0.442 434 S N -0.084 115.689 115.700 0.122 0.000 2.356 434 S HA -0.177 4.293 4.470 0.000 0.000 0.223 434 S C 1.841 176.557 174.600 0.194 0.000 1.032 434 S CA 1.554 59.846 58.200 0.153 0.000 1.005 434 S CB -0.349 62.910 63.200 0.099 0.000 0.867 434 S HN 0.693 nan 8.310 nan 0.000 0.449 435 E N 0.788 121.075 120.200 0.145 0.000 2.110 435 E HA -0.111 4.239 4.350 0.000 0.000 0.193 435 E C 2.251 178.927 176.600 0.128 0.000 0.988 435 E CA 1.048 57.523 56.400 0.124 0.000 0.804 435 E CB -0.229 29.526 29.700 0.091 0.000 0.745 435 E HN 0.401 nan 8.360 nan 0.000 0.458 436 S N 0.408 116.197 115.700 0.149 0.000 2.356 436 S HA -0.183 4.288 4.470 0.000 0.000 0.223 436 S C 1.748 176.456 174.600 0.180 0.000 1.032 436 S CA 0.970 59.262 58.200 0.152 0.000 1.005 436 S CB -0.278 63.025 63.200 0.171 0.000 0.867 436 S HN 0.313 nan 8.310 nan 0.000 0.449 437 F N 1.774 121.788 119.950 0.108 0.000 2.186 437 F HA 0.004 4.531 4.527 0.000 0.000 0.299 437 F C 2.099 177.989 175.800 0.150 0.000 1.090 437 F CA 1.383 59.465 58.000 0.136 0.000 1.307 437 F CB -0.341 38.721 39.000 0.104 0.000 1.019 437 F HN 0.188 nan 8.300 nan 0.000 0.489 438 M N 0.298 119.940 119.600 0.069 0.000 2.108 438 M HA -0.204 4.276 4.480 0.000 0.000 0.261 438 M C 2.222 178.467 176.300 -0.092 0.000 1.066 438 M CA 1.661 56.953 55.300 -0.015 0.000 1.107 438 M CB -1.296 31.355 32.600 0.086 0.000 1.356 438 M HN 0.101 nan 8.290 nan 0.000 0.406 439 K N -0.459 119.923 120.400 -0.030 0.000 2.057 439 K HA -0.202 4.118 4.320 0.000 0.000 0.207 439 K C 2.006 178.570 176.600 -0.061 0.000 1.049 439 K CA 1.794 58.067 56.287 -0.024 0.000 0.931 439 K CB -0.585 31.930 32.500 0.025 0.000 0.714 439 K HN 0.379 nan 8.250 nan 0.000 0.440 440 H N 0.008 118.968 119.070 -0.184 0.000 2.293 440 H HA -0.084 4.473 4.556 0.000 0.000 0.300 440 H C 2.028 177.180 175.328 -0.293 0.000 1.082 440 H CA 2.579 58.496 56.048 -0.218 0.000 1.308 440 H CB -0.275 29.334 29.762 -0.254 0.000 1.375 440 H HN 0.276 nan 8.280 nan 0.000 0.495 441 M N 0.147 119.364 119.600 -0.638 0.000 2.106 441 M HA -0.265 4.215 4.480 0.000 0.000 0.259 441 M C 2.525 178.723 176.300 -0.170 0.000 1.068 441 M CA 2.360 57.369 55.300 -0.485 0.000 1.100 441 M CB -0.235 32.086 32.600 -0.465 0.000 1.351 441 M HN 0.637 nan 8.290 nan 0.000 0.404 442 Q N -0.009 119.691 119.800 -0.167 0.000 2.084 442 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 442 Q C 1.387 177.347 176.000 -0.068 0.000 0.978 442 Q CA 1.851 57.602 55.803 -0.086 0.000 0.844 442 Q CB -0.338 28.349 28.738 -0.085 0.000 0.898 442 Q HN 0.567 nan 8.270 nan 0.000 0.426 443 N N 0.785 119.408 118.700 -0.129 0.000 2.084 443 N HA -0.148 4.592 4.740 0.000 0.000 0.190 443 N C 1.675 177.096 175.510 -0.148 0.000 1.030 443 N CA 1.409 54.394 53.050 -0.108 0.000 0.849 443 N CB -0.266 38.174 38.487 -0.079 0.000 1.012 443 N HN 0.348 nan 8.380 nan 0.000 0.423 444 E N 0.320 120.343 120.200 -0.295 0.000 2.085 444 E HA -0.151 4.199 4.350 0.000 0.000 0.194 444 E C 1.896 178.353 176.600 -0.239 0.000 0.994 444 E CA 0.847 57.047 56.400 -0.334 0.000 0.801 444 E CB -0.409 28.983 29.700 -0.513 0.000 0.743 444 E HN 0.494 nan 8.360 nan 0.000 0.453 445 Y N 1.023 121.216 120.300 -0.178 0.000 2.242 445 Y HA -0.119 4.431 4.550 0.000 0.000 0.291 445 Y C 2.556 178.399 175.900 -0.095 0.000 1.137 445 Y CA 1.286 59.319 58.100 -0.112 0.000 1.181 445 Y CB -0.020 38.379 38.460 -0.101 0.000 0.989 445 Y HN -0.012 nan 8.280 nan 0.000 0.527 446 R N -0.612 119.904 120.500 0.027 0.000 2.062 446 R HA -0.090 4.250 4.340 0.000 0.000 0.229 446 R C 2.525 178.802 176.300 -0.038 0.000 1.128 446 R CA 1.107 57.202 56.100 -0.009 0.000 0.960 446 R CB -0.741 29.549 30.300 -0.017 0.000 0.855 446 R HN 0.285 nan 8.270 nan 0.000 0.432 447 A N 1.936 124.719 122.820 -0.061 0.000 1.902 447 A HA -0.185 4.135 4.320 0.000 0.000 0.217 447 A C 1.724 179.256 177.584 -0.087 0.000 1.181 447 A CA 1.715 53.712 52.037 -0.067 0.000 0.623 447 A CB -0.183 18.773 19.000 -0.073 0.000 0.818 447 A HN 0.471 nan 8.150 nan 0.000 0.443 448 R N -3.066 117.352 120.500 -0.136 0.000 2.563 448 R HA 0.402 4.742 4.340 0.000 0.000 0.443 448 R C 0.656 176.855 176.300 -0.168 0.000 0.956 448 R CA 0.292 56.311 56.100 -0.136 0.000 1.141 448 R CB -0.870 29.341 30.300 -0.148 0.000 1.553 448 R HN 0.870 nan 8.270 nan 0.000 0.577 449 G N 0.072 108.760 108.800 -0.187 0.000 2.323 449 G HA2 -0.021 3.939 3.960 0.000 0.000 0.292 449 G HA3 -0.021 3.939 3.960 0.000 0.000 0.292 449 G C 0.260 174.883 174.900 -0.461 0.000 1.040 449 G CA 0.297 45.275 45.100 -0.204 0.000 0.942 449 G HN 0.990 nan 8.290 nan 0.000 0.506 450 G N -2.541 105.677 108.800 -0.969 0.000 2.340 450 G HA2 0.561 4.521 3.960 0.000 0.000 0.300 450 G HA3 0.561 4.521 3.960 0.000 0.000 0.300 450 G C -0.847 173.619 174.900 -0.723 0.000 1.488 450 G CA 0.230 44.717 45.100 -1.022 0.000 0.878 450 G HN 1.927 nan 8.290 nan 0.000 0.618 451 C N 2.503 121.601 119.300 -0.338 0.000 2.968 451 C HA 0.638 5.098 4.460 0.000 0.000 0.389 451 C C -2.588 172.344 174.990 -0.097 0.000 1.068 451 C CA -1.151 57.780 59.018 -0.145 0.000 1.272 451 C CB 1.081 28.804 27.740 -0.028 0.000 1.711 451 C HN 0.698 nan 8.230 nan 0.000 0.501 452 P HA 0.376 nan 4.420 nan 0.000 0.267 452 P C -0.568 176.626 177.300 -0.176 0.000 1.209 452 P CA 0.701 63.403 63.100 -0.663 0.000 0.763 452 P CB 0.992 32.198 31.700 -0.823 0.000 0.816 453 A N 2.807 125.586 122.820 -0.068 0.000 2.427 453 A HA 0.422 4.742 4.320 0.000 0.000 0.298 453 A C -1.059 176.576 177.584 0.086 0.000 1.036 453 A CA -0.539 51.544 52.037 0.077 0.000 0.701 453 A CB 1.290 20.450 19.000 0.266 0.000 1.250 453 A HN 0.424 nan 8.150 nan 0.000 0.412 454 D N 2.066 122.513 120.400 0.077 0.000 2.473 454 D HA 0.165 4.805 4.640 0.000 0.000 0.226 454 D C 0.821 177.256 176.300 0.225 0.000 1.089 454 D CA -0.540 53.557 54.000 0.163 0.000 0.883 454 D CB 0.292 41.160 40.800 0.113 0.000 1.029 454 D HN 0.585 nan 8.370 nan 0.000 0.517 455 W N 4.508 125.850 121.300 0.069 0.000 2.304 455 W HA -0.255 4.405 4.660 0.000 0.000 0.315 455 W C 1.733 178.290 176.519 0.063 0.000 1.233 455 W CA 1.418 58.788 57.345 0.042 0.000 1.261 455 W CB -0.128 29.338 29.460 0.009 0.000 1.150 455 W HN 0.479 nan 8.180 nan 0.000 0.494 456 I N -1.172 119.690 120.570 0.487 0.000 2.335 456 I HA -0.309 3.861 4.170 0.000 0.000 0.251 456 I C 1.726 177.966 176.117 0.205 0.000 1.129 456 I CA 1.480 63.006 61.300 0.376 0.000 1.402 456 I CB -0.656 37.587 38.000 0.405 0.000 1.069 456 I HN 0.122 nan 8.210 nan 0.000 0.424 457 W N 0.040 121.332 121.300 -0.014 0.000 2.762 457 W HA 0.165 4.825 4.660 0.000 0.000 0.265 457 W C 2.170 178.593 176.519 -0.160 0.000 1.263 457 W CA 0.126 57.433 57.345 -0.062 0.000 1.411 457 W CB -0.233 29.214 29.460 -0.022 0.000 1.065 457 W HN -0.060 nan 8.180 nan 0.000 0.609 458 L N -0.195 121.007 121.223 -0.036 0.000 2.313 458 L HA 0.004 4.344 4.340 0.000 0.000 0.214 458 L C 0.593 177.283 176.870 -0.300 0.000 1.119 458 L CA 0.338 55.038 54.840 -0.234 0.000 0.809 458 L CB -0.739 41.090 42.059 -0.384 0.000 0.933 458 L HN -0.400 nan 8.230 nan 0.000 0.449 459 V N 1.402 121.061 119.914 -0.425 0.000 2.455 459 V HA 0.146 4.267 4.120 0.000 0.000 0.273 459 V C -1.817 174.119 176.094 -0.264 0.000 1.045 459 V CA -1.423 60.611 62.300 -0.442 0.000 0.976 459 V CB 0.452 31.797 31.823 -0.796 0.000 0.993 459 V HN 0.032 nan 8.190 nan 0.000 0.475 460 P HA 0.060 nan 4.420 nan 0.000 0.269 460 P C -1.802 175.395 177.300 -0.171 0.000 1.211 460 P CA -0.846 62.160 63.100 -0.157 0.000 0.781 460 P CB 0.051 31.702 31.700 -0.081 0.000 0.877 461 P HA -0.036 nan 4.420 nan 0.000 0.242 461 P C -0.156 177.053 177.300 -0.153 0.000 1.197 461 P CA 0.901 63.895 63.100 -0.177 0.000 0.765 461 P CB 0.134 31.715 31.700 -0.198 0.000 0.936 462 V N -6.513 113.297 119.914 -0.174 0.000 3.147 462 V HA 0.564 4.684 4.120 0.000 0.000 0.306 462 V C 0.271 176.336 176.094 -0.048 0.000 1.209 462 V CA -0.968 61.258 62.300 -0.124 0.000 1.023 462 V CB 1.323 33.045 31.823 -0.168 0.000 1.059 462 V HN -0.127 nan 8.190 nan 0.000 0.435 463 S N 0.787 116.491 115.700 0.007 0.000 3.641 463 S HA -0.186 4.284 4.470 0.000 0.000 0.346 463 S C 1.518 176.116 174.600 -0.003 0.000 1.074 463 S CA 1.212 59.442 58.200 0.050 0.000 1.026 463 S CB -1.610 61.690 63.200 0.166 0.000 0.908 463 S HN 2.088 nan 8.310 nan 0.000 0.479 464 G N 2.637 111.413 108.800 -0.040 0.000 2.863 464 G HA2 -0.346 3.614 3.960 0.000 0.000 0.217 464 G HA3 -0.346 3.614 3.960 0.000 0.000 0.217 464 G C 1.468 176.224 174.900 -0.240 0.000 1.315 464 G CA 1.748 46.824 45.100 -0.040 0.000 0.796 464 G HN 1.382 nan 8.290 nan 0.000 0.669 465 S N 0.244 115.482 115.700 -0.769 0.000 2.547 465 S HA 0.048 4.518 4.470 0.000 0.000 0.235 465 S C 2.059 176.554 174.600 -0.174 0.000 0.980 465 S CA 0.783 58.342 58.200 -1.069 0.000 0.941 465 S CB -0.105 62.343 63.200 -1.254 0.000 0.763 465 S HN 0.247 nan 8.310 nan 0.000 0.532 466 I N 2.810 123.339 120.570 -0.068 0.000 2.928 466 I HA 0.018 4.188 4.170 0.000 0.000 0.266 466 I C 1.389 177.595 176.117 0.148 0.000 1.234 466 I CA 0.707 62.050 61.300 0.072 0.000 1.483 466 I CB -1.976 36.096 38.000 0.120 0.000 1.097 466 I HN 0.497 nan 8.210 nan 0.000 0.455 467 T N -0.863 113.768 114.554 0.128 0.000 2.907 467 T HA 0.320 4.670 4.350 0.000 0.000 0.284 467 T C -1.359 173.491 174.700 0.251 0.000 1.004 467 T CA -1.727 60.468 62.100 0.157 0.000 1.063 467 T CB 2.197 71.109 68.868 0.073 0.000 0.992 467 T HN -0.072 nan 8.240 nan 0.000 0.483 468 P HA -0.040 nan 4.420 nan 0.000 0.219 468 P C 1.698 179.209 177.300 0.351 0.000 1.150 468 P CA 0.397 63.691 63.100 0.323 0.000 0.814 468 P CB -0.092 31.733 31.700 0.208 0.000 0.787 469 V N -0.121 119.943 119.914 0.250 0.000 2.469 469 V HA -0.236 3.884 4.120 0.000 0.000 0.251 469 V C 2.393 178.598 176.094 0.184 0.000 1.064 469 V CA 1.774 64.196 62.300 0.203 0.000 1.066 469 V CB -1.532 30.336 31.823 0.076 0.000 0.667 469 V HN -0.016 nan 8.190 nan 0.000 0.461 470 F N 1.367 121.304 119.950 -0.021 0.000 2.161 470 F HA -0.200 4.327 4.527 0.000 0.000 0.300 470 F C 2.061 178.002 175.800 0.236 0.000 1.089 470 F CA 2.067 60.063 58.000 -0.006 0.000 1.282 470 F CB -0.378 38.505 39.000 -0.195 0.000 1.010 470 F HN 0.377 nan 8.300 nan 0.000 0.485 471 H N -1.330 118.137 119.070 0.660 0.000 2.533 471 H HA 0.176 4.732 4.556 0.000 0.000 0.271 471 H C 0.149 175.740 175.328 0.438 0.000 1.000 471 H CA 0.125 56.496 56.048 0.539 0.000 1.149 471 H CB -0.202 29.836 29.762 0.460 0.000 1.375 471 H HN 0.152 nan 8.280 nan 0.000 0.582 472 Q N 1.919 122.010 119.800 0.485 0.000 2.340 472 Q HA 0.159 4.499 4.340 0.000 0.000 0.259 472 Q C -0.713 175.508 176.000 0.368 0.000 0.964 472 Q CA -0.486 55.541 55.803 0.374 0.000 0.900 472 Q CB 0.648 29.572 28.738 0.311 0.000 1.228 472 Q HN 0.349 nan 8.270 nan 0.000 0.449 473 E N 3.655 124.018 120.200 0.273 0.000 2.373 473 E HA 0.286 4.636 4.350 0.000 0.000 0.267 473 E C -0.484 176.230 176.600 0.190 0.000 1.032 473 E CA 0.241 56.756 56.400 0.191 0.000 0.889 473 E CB 0.847 30.656 29.700 0.182 0.000 0.984 473 E HN 0.605 nan 8.360 nan 0.000 0.425 474 M N 1.919 121.632 119.600 0.188 0.000 2.593 474 M HA 0.384 4.864 4.480 0.000 0.000 0.290 474 M C -1.355 175.047 176.300 0.170 0.000 1.244 474 M CA -1.030 54.400 55.300 0.218 0.000 0.857 474 M CB 1.622 34.400 32.600 0.295 0.000 1.738 474 M HN 0.214 nan 8.290 nan 0.000 0.461 475 L N 1.984 123.326 121.223 0.198 0.000 2.333 475 L HA 0.503 4.843 4.340 0.000 0.000 0.280 475 L C -0.822 176.115 176.870 0.111 0.000 1.004 475 L CA -0.153 54.801 54.840 0.190 0.000 0.820 475 L CB 1.455 43.689 42.059 0.292 0.000 1.247 475 L HN 0.568 nan 8.230 nan 0.000 0.416 476 N N 3.305 122.018 118.700 0.021 0.000 2.446 476 N HA 0.547 5.287 4.740 0.000 0.000 0.265 476 N C -1.635 173.532 175.510 -0.572 0.000 0.975 476 N CA -0.238 52.687 53.050 -0.208 0.000 0.928 476 N CB 0.616 39.102 38.487 -0.002 0.000 1.160 476 N HN 0.378 nan 8.380 nan 0.000 0.495 477 Y N -0.037 119.927 120.300 -0.561 0.000 2.597 477 Y HA 0.620 5.170 4.550 0.000 0.000 0.340 477 Y C -1.074 174.594 175.900 -0.386 0.000 1.097 477 Y CA -1.379 56.296 58.100 -0.708 0.000 1.037 477 Y CB 0.603 38.836 38.460 -0.379 0.000 1.305 477 Y HN -0.016 nan 8.280 nan 0.000 0.463 478 V N 3.975 123.767 119.914 -0.204 0.000 2.348 478 V HA 0.368 4.488 4.120 0.000 0.000 0.270 478 V C 0.165 176.115 176.094 -0.239 0.000 1.037 478 V CA -0.400 61.651 62.300 -0.414 0.000 0.872 478 V CB 0.353 31.837 31.823 -0.565 0.000 1.002 478 V HN 0.736 nan 8.190 nan 0.000 0.464 479 L N 2.954 124.076 121.223 -0.169 0.000 2.805 479 L HA 0.737 5.077 4.340 0.000 0.000 0.242 479 L C 0.371 177.226 176.870 -0.025 0.000 1.180 479 L CA -0.435 54.393 54.840 -0.020 0.000 1.001 479 L CB 1.415 43.500 42.059 0.044 0.000 1.864 479 L HN 0.626 nan 8.230 nan 0.000 0.551 480 S N -0.867 114.856 115.700 0.038 0.000 2.543 480 S HA 0.523 4.993 4.470 0.000 0.000 0.271 480 S C -2.714 171.925 174.600 0.065 0.000 1.148 480 S CA -1.071 57.166 58.200 0.062 0.000 0.914 480 S CB 1.801 65.036 63.200 0.058 0.000 1.096 480 S HN 0.147 nan 8.310 nan 0.000 0.471 481 P HA 0.416 nan 4.420 nan 0.000 0.270 481 P C -1.282 175.993 177.300 -0.042 0.000 1.227 481 P CA -0.051 63.016 63.100 -0.055 0.000 0.788 481 P CB 0.212 31.806 31.700 -0.177 0.000 0.926 482 F N 0.452 120.219 119.950 -0.305 0.000 2.668 482 F HA 0.443 4.970 4.527 0.000 0.000 0.309 482 F C -1.619 173.901 175.800 -0.467 0.000 1.117 482 F CA -0.784 56.955 58.000 -0.436 0.000 0.951 482 F CB 1.213 39.919 39.000 -0.490 0.000 1.323 482 F HN 0.152 nan 8.300 nan 0.000 0.451 483 Y N 4.168 123.907 120.300 -0.935 0.000 2.369 483 Y HA 0.443 4.994 4.550 0.000 0.000 0.337 483 Y C -0.899 174.618 175.900 -0.639 0.000 0.961 483 Y CA -0.841 56.933 58.100 -0.543 0.000 1.186 483 Y CB 0.339 38.499 38.460 -0.500 0.000 1.139 483 Y HN 0.382 nan 8.280 nan 0.000 0.494 484 Y N 1.224 121.569 120.300 0.074 0.000 2.458 484 Y HA 0.393 4.943 4.550 0.000 0.000 0.322 484 Y C -0.220 175.712 175.900 0.053 0.000 1.259 484 Y CA -0.880 57.275 58.100 0.090 0.000 1.302 484 Y CB 0.785 39.357 38.460 0.185 0.000 1.314 484 Y HN 0.387 nan 8.280 nan 0.000 0.509 485 Y N 0.318 120.773 120.300 0.259 0.000 2.340 485 Y HA 0.423 4.973 4.550 0.000 0.000 0.327 485 Y C -0.099 175.854 175.900 0.088 0.000 1.321 485 Y CA -1.356 56.809 58.100 0.108 0.000 1.433 485 Y CB 0.712 39.206 38.460 0.057 0.000 1.373 485 Y HN 0.432 nan 8.280 nan 0.000 0.538 486 Q N 0.400 120.304 119.800 0.173 0.000 2.495 486 Q HA 0.453 4.793 4.340 0.000 0.000 0.287 486 Q C -1.297 174.651 176.000 -0.088 0.000 1.078 486 Q CA -1.169 54.650 55.803 0.027 0.000 0.793 486 Q CB 2.687 31.413 28.738 -0.020 0.000 1.459 486 Q HN 0.340 nan 8.270 nan 0.000 0.422 487 I N 1.872 122.360 120.570 -0.137 0.000 2.692 487 I HA -0.002 4.168 4.170 0.000 0.000 0.284 487 I C 0.703 176.577 176.117 -0.405 0.000 1.159 487 I CA 0.171 61.338 61.300 -0.222 0.000 1.423 487 I CB 0.148 38.033 38.000 -0.191 0.000 1.380 487 I HN 0.528 nan 8.210 nan 0.000 0.580 488 E N 8.002 127.854 120.200 -0.580 0.000 2.558 488 E HA -0.039 4.311 4.350 0.000 0.000 0.255 488 E C -1.363 174.542 176.600 -1.158 0.000 0.968 488 E CA -1.165 54.562 56.400 -1.121 0.000 0.939 488 E CB 0.330 29.098 29.700 -1.554 0.000 0.921 488 E HN 0.373 nan 8.360 nan 0.000 0.477 489 P HA -0.183 nan 4.420 nan 0.000 0.216 489 P C 1.159 177.897 177.300 -0.935 0.000 1.153 489 P CA 1.538 64.004 63.100 -1.056 0.000 0.858 489 P CB -0.242 30.555 31.700 -1.504 0.000 0.789 490 W N 0.919 121.698 121.300 -0.868 0.000 2.848 490 W HA 0.136 4.796 4.660 0.000 0.000 0.241 490 W C 1.383 177.903 176.519 0.001 0.000 1.289 490 W CA 0.341 57.502 57.345 -0.308 0.000 1.396 490 W CB -1.293 28.157 29.460 -0.017 0.000 1.138 490 W HN -0.070 nan 8.180 nan 0.000 0.677 491 K N 0.135 120.405 120.400 -0.217 0.000 2.354 491 K HA 0.106 4.426 4.320 0.000 0.000 0.194 491 K C 1.454 178.039 176.600 -0.025 0.000 1.038 491 K CA 1.259 57.522 56.287 -0.040 0.000 1.052 491 K CB 0.275 32.683 32.500 -0.154 0.000 0.861 491 K HN 0.291 nan 8.250 nan 0.000 0.535 492 T N -3.188 111.322 114.554 -0.074 0.000 3.016 492 T HA 0.059 4.409 4.350 0.000 0.000 0.271 492 T C 0.195 174.900 174.700 0.009 0.000 0.968 492 T CA -0.377 61.700 62.100 -0.039 0.000 0.891 492 T CB -0.206 68.608 68.868 -0.090 0.000 1.149 492 T HN 0.047 nan 8.240 nan 0.000 0.524 493 H N 1.459 120.486 119.070 -0.072 0.000 2.790 493 H HA 0.497 5.053 4.556 0.000 0.000 0.358 493 H C -0.406 174.902 175.328 -0.034 0.000 1.103 493 H CA -0.647 55.350 56.048 -0.085 0.000 1.426 493 H CB 0.281 29.977 29.762 -0.109 0.000 1.424 493 H HN 0.307 nan 8.280 nan 0.000 0.599 494 I N 5.699 125.821 120.570 -0.748 0.000 2.371 494 I HA 0.077 4.247 4.170 0.000 0.000 0.282 494 I C -0.572 175.152 176.117 -0.655 0.000 1.031 494 I CA -0.608 60.429 61.300 -0.438 0.000 1.180 494 I CB 0.349 38.208 38.000 -0.235 0.000 1.336 494 I HN 0.521 nan 8.210 nan 0.000 0.467 495 W N 5.508 126.611 121.300 -0.329 0.000 2.193 495 W HA 0.093 4.754 4.660 0.000 0.000 0.338 495 W C 1.569 178.044 176.519 -0.073 0.000 1.310 495 W CA -0.219 57.061 57.345 -0.108 0.000 1.243 495 W CB 0.363 29.858 29.460 0.059 0.000 1.165 495 W HN 0.487 nan 8.180 nan 0.000 0.566 496 Q N 2.058 121.974 119.800 0.193 0.000 2.020 496 Q HA -0.044 4.296 4.340 0.000 0.000 0.198 496 Q C 0.906 176.982 176.000 0.126 0.000 0.974 496 Q CA 1.768 57.636 55.803 0.109 0.000 0.829 496 Q CB -0.754 28.036 28.738 0.085 0.000 0.894 496 Q HN 0.712 nan 8.270 nan 0.000 0.433 497 N N 0.000 118.803 118.700 0.172 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.112 53.050 0.103 0.000 0.885 497 N CB 0.000 38.522 38.487 0.058 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667