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 1df1_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 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 0.000 176.125 176.000 0.209 0.000 1.003 77 Q CA 0.000 55.791 55.803 -0.020 0.000 1.022 77 Q CB 0.000 28.606 28.738 -0.220 0.000 1.108 78 Y N -1.504 118.899 120.300 0.172 0.000 2.641 78 Y HA 0.716 5.266 4.550 0.000 0.000 0.333 78 Y C -1.289 174.690 175.900 0.132 0.000 1.174 78 Y CA -1.375 56.843 58.100 0.196 0.000 1.057 78 Y CB 0.441 38.962 38.460 0.101 0.000 1.322 78 Y HN -0.082 nan 8.280 nan 0.000 0.457 79 V N 3.055 123.265 119.914 0.492 0.000 2.483 79 V HA 0.553 4.673 4.120 0.000 0.000 0.295 79 V C -0.031 176.236 176.094 0.289 0.000 1.035 79 V CA -0.900 61.553 62.300 0.255 0.000 0.896 79 V CB 1.523 33.317 31.823 -0.049 0.000 0.986 79 V HN 0.789 nan 8.190 nan 0.000 0.447 80 R N 3.634 124.287 120.500 0.255 0.000 2.298 80 R HA 0.599 4.939 4.340 0.000 0.000 0.310 80 R C -1.009 175.360 176.300 0.116 0.000 1.068 80 R CA -0.145 56.083 56.100 0.213 0.000 0.957 80 R CB 0.553 30.977 30.300 0.207 0.000 1.003 80 R HN 0.664 nan 8.270 nan 0.000 0.454 81 I N 3.694 124.299 120.570 0.059 0.000 2.498 81 I HA 0.307 4.477 4.170 0.000 0.000 0.290 81 I C -0.549 175.525 176.117 -0.071 0.000 1.032 81 I CA -0.661 60.645 61.300 0.011 0.000 1.073 81 I CB 1.953 39.951 38.000 -0.003 0.000 1.251 81 I HN 0.483 nan 8.210 nan 0.000 0.426 82 K N 5.373 125.734 120.400 -0.064 0.000 2.259 82 K HA 0.361 4.681 4.320 0.000 0.000 0.249 82 K C -0.809 175.687 176.600 -0.174 0.000 0.942 82 K CA -0.734 55.419 56.287 -0.223 0.000 0.816 82 K CB 1.537 33.754 32.500 -0.472 0.000 1.155 82 K HN 0.482 nan 8.250 nan 0.000 0.428 83 N N 3.806 122.381 118.700 -0.207 0.000 2.546 83 N HA 0.077 4.817 4.740 0.000 0.000 0.238 83 N C -0.215 175.254 175.510 -0.067 0.000 0.984 83 N CA -0.299 52.733 53.050 -0.031 0.000 0.935 83 N CB 0.368 38.849 38.487 -0.009 0.000 1.122 83 N HN 0.625 nan 8.380 nan 0.000 0.510 84 W N 2.383 123.770 121.300 0.145 0.000 2.747 84 W HA 0.101 4.761 4.660 0.000 0.000 0.244 84 W C 1.969 178.578 176.519 0.150 0.000 1.270 84 W CA 0.271 57.709 57.345 0.155 0.000 1.333 84 W CB 0.173 29.748 29.460 0.192 0.000 1.139 84 W HN 0.614 nan 8.180 nan 0.000 0.662 85 G N -1.003 107.958 108.800 0.270 0.000 2.559 85 G HA2 -0.120 3.840 3.960 0.000 0.000 0.209 85 G HA3 -0.120 3.840 3.960 0.000 0.000 0.209 85 G C 1.485 176.396 174.900 0.018 0.000 1.151 85 G CA 0.877 46.018 45.100 0.068 0.000 0.824 85 G HN 0.251 nan 8.290 nan 0.000 0.543 86 S N -1.016 114.691 115.700 0.010 0.000 2.511 86 S HA 0.379 4.849 4.470 0.000 0.000 0.214 86 S C 1.908 176.472 174.600 -0.060 0.000 0.997 86 S CA 1.073 59.256 58.200 -0.027 0.000 0.908 86 S CB 0.305 63.486 63.200 -0.032 0.000 0.803 86 S HN 1.481 nan 8.310 nan 0.000 0.504 87 G N 1.150 109.893 108.800 -0.096 0.000 2.184 87 G HA2 -0.322 3.638 3.960 0.000 0.000 0.264 87 G HA3 -0.322 3.638 3.960 0.000 0.000 0.264 87 G C -0.121 174.668 174.900 -0.186 0.000 0.975 87 G CA 0.425 45.426 45.100 -0.164 0.000 0.642 87 G HN 0.708 nan 8.290 nan 0.000 0.536 88 E N -0.024 120.083 120.200 -0.155 0.000 2.392 88 E HA 0.511 4.861 4.350 0.000 0.000 0.264 88 E C -0.009 176.468 176.600 -0.205 0.000 1.024 88 E CA -0.463 55.839 56.400 -0.162 0.000 0.903 88 E CB 0.490 30.106 29.700 -0.139 0.000 0.963 88 E HN 0.409 nan 8.360 nan 0.000 0.432 89 I N 4.662 125.108 120.570 -0.206 0.000 2.530 89 I HA 0.393 4.563 4.170 0.000 0.000 0.297 89 I C -1.272 174.670 176.117 -0.291 0.000 1.011 89 I CA -0.623 60.549 61.300 -0.213 0.000 1.107 89 I CB 0.867 38.776 38.000 -0.153 0.000 1.285 89 I HN 0.496 nan 8.210 nan 0.000 0.436 90 L N 6.119 127.159 121.223 -0.305 0.000 2.393 90 L HA 0.512 4.852 4.340 0.000 0.000 0.260 90 L C -1.306 175.418 176.870 -0.243 0.000 1.002 90 L CA -0.750 53.841 54.840 -0.416 0.000 0.818 90 L CB 2.312 44.005 42.059 -0.611 0.000 1.369 90 L HN 0.581 nan 8.230 nan 0.000 0.412 91 H N 0.414 119.371 119.070 -0.188 0.000 2.511 91 H HA 0.224 4.780 4.556 0.000 0.000 0.328 91 H C -1.187 174.182 175.328 0.068 0.000 1.044 91 H CA -0.813 55.067 56.048 -0.280 0.000 1.212 91 H CB 2.098 31.338 29.762 -0.870 0.000 1.428 91 H HN 0.375 nan 8.280 nan 0.000 0.483 92 D N 2.770 123.361 120.400 0.317 0.000 2.359 92 D HA 0.019 4.659 4.640 0.000 0.000 0.230 92 D C 0.794 177.253 176.300 0.265 0.000 1.118 92 D CA -0.081 54.117 54.000 0.330 0.000 0.844 92 D CB 1.238 42.254 40.800 0.361 0.000 1.059 92 D HN 0.757 nan 8.370 nan 0.000 0.493 93 T N 0.944 115.549 114.554 0.085 0.000 2.990 93 T HA -0.042 4.308 4.350 0.000 0.000 0.250 93 T C 1.886 176.448 174.700 -0.229 0.000 1.041 93 T CA -0.223 61.877 62.100 -0.001 0.000 1.010 93 T CB 0.131 69.053 68.868 0.091 0.000 1.003 93 T HN 0.234 nan 8.240 nan 0.000 0.499 94 L N 2.946 124.035 121.223 -0.223 0.000 2.131 94 L HA -0.046 4.294 4.340 0.000 0.000 0.210 94 L C 2.338 178.904 176.870 -0.507 0.000 1.092 94 L CA 2.016 56.701 54.840 -0.258 0.000 0.759 94 L CB -0.849 41.129 42.059 -0.135 0.000 0.903 94 L HN 0.654 nan 8.230 nan 0.000 0.435 95 H N -3.777 114.775 119.070 -0.864 0.000 2.541 95 H HA -0.156 4.400 4.556 0.000 0.000 0.289 95 H C 1.696 176.647 175.328 -0.628 0.000 1.054 95 H CA 1.807 57.112 56.048 -1.238 0.000 1.250 95 H CB -0.940 28.127 29.762 -1.157 0.000 1.369 95 H HN 0.553 nan 8.280 nan 0.000 0.578 96 H N 0.504 119.154 119.070 -0.701 0.000 2.524 96 H HA 0.091 4.647 4.556 0.000 0.000 0.282 96 H C 1.157 176.345 175.328 -0.232 0.000 1.016 96 H CA 0.757 56.557 56.048 -0.413 0.000 1.270 96 H CB 0.335 29.868 29.762 -0.381 0.000 1.394 96 H HN 0.407 nan 8.280 nan 0.000 0.568 97 K N 0.609 120.933 120.400 -0.126 0.000 2.417 97 K HA 0.256 4.576 4.320 0.000 0.000 0.196 97 K C 0.278 176.839 176.600 -0.065 0.000 1.023 97 K CA -0.142 56.104 56.287 -0.068 0.000 1.122 97 K CB 0.922 33.388 32.500 -0.057 0.000 0.850 97 K HN 0.103 nan 8.250 nan 0.000 0.521 98 A N 1.985 124.746 122.820 -0.099 0.000 2.454 98 A HA 0.089 4.409 4.320 0.000 0.000 0.260 98 A C 1.504 179.055 177.584 -0.055 0.000 1.106 98 A CA -0.116 51.874 52.037 -0.078 0.000 0.780 98 A CB 0.071 19.012 19.000 -0.098 0.000 1.044 98 A HN 0.423 nan 8.150 nan 0.000 0.498 99 T N 1.460 115.972 114.554 -0.070 0.000 2.217 99 T HA -0.151 4.199 4.350 0.000 0.000 0.206 99 T C 1.150 175.848 174.700 -0.005 0.000 1.634 99 T CA 1.930 64.003 62.100 -0.046 0.000 1.183 99 T CB -0.632 68.192 68.868 -0.072 0.000 0.861 99 T HN 1.179 nan 8.240 nan 0.000 0.392 100 S N -0.447 115.256 115.700 0.006 0.000 2.998 100 S HA 0.440 4.910 4.470 0.000 0.000 0.323 100 S C -1.779 172.858 174.600 0.062 0.000 1.141 100 S CA -0.718 57.504 58.200 0.037 0.000 0.873 100 S CB 1.028 64.254 63.200 0.043 0.000 1.315 100 S HN 0.566 nan 8.310 nan 0.000 0.637 101 D N 1.588 122.035 120.400 0.078 0.000 2.487 101 D HA 0.251 4.891 4.640 0.000 0.000 0.243 101 D C -0.395 176.019 176.300 0.189 0.000 1.154 101 D CA 0.499 54.567 54.000 0.113 0.000 0.876 101 D CB -0.058 40.789 40.800 0.079 0.000 1.161 101 D HN 0.265 nan 8.370 nan 0.000 0.478 102 F N 1.001 120.957 119.950 0.010 0.000 2.294 102 F HA 0.151 4.678 4.527 0.000 0.000 0.319 102 F C 1.941 177.752 175.800 0.018 0.000 1.107 102 F CA -0.881 57.123 58.000 0.008 0.000 1.094 102 F CB -0.025 38.983 39.000 0.014 0.000 1.508 102 F HN 0.260 nan 8.300 nan 0.000 0.506 103 T N 0.754 114.785 114.554 -0.871 0.000 2.653 103 T HA -0.185 4.165 4.350 0.000 0.000 0.268 103 T C 1.045 175.573 174.700 -0.286 0.000 1.035 103 T CA 1.558 63.259 62.100 -0.665 0.000 1.154 103 T CB -0.770 67.508 68.868 -0.983 0.000 0.862 103 T HN 0.449 nan 8.240 nan 0.000 0.441 104 C N 1.242 120.422 119.300 -0.199 0.000 2.411 104 C HA 0.591 5.051 4.460 0.000 0.000 0.358 104 C C 0.769 175.747 174.990 -0.018 0.000 1.349 104 C CA -1.179 57.795 59.018 -0.073 0.000 2.326 104 C CB 0.634 28.354 27.740 -0.033 0.000 2.166 104 C HN 0.457 nan 8.230 nan 0.000 0.609 105 K N 0.136 120.531 120.400 -0.009 0.000 2.346 105 K HA 0.375 4.695 4.320 0.000 0.000 0.238 105 K C 1.005 177.611 176.600 0.009 0.000 1.039 105 K CA -0.190 56.099 56.287 0.003 0.000 0.861 105 K CB 1.231 33.729 32.500 -0.002 0.000 1.278 105 K HN 0.725 nan 8.250 nan 0.000 0.460 106 S N 0.480 116.187 115.700 0.012 0.000 2.383 106 S HA -0.185 4.285 4.470 0.000 0.000 0.229 106 S C 1.116 175.720 174.600 0.007 0.000 1.030 106 S CA 1.255 59.462 58.200 0.012 0.000 1.002 106 S CB -0.175 63.031 63.200 0.011 0.000 0.829 106 S HN 0.551 nan 8.310 nan 0.000 0.467 107 K N 1.081 121.483 120.400 0.003 0.000 2.414 107 K HA 0.279 4.599 4.320 0.000 0.000 0.204 107 K C -0.330 176.268 176.600 -0.003 0.000 1.026 107 K CA 0.204 56.491 56.287 0.000 0.000 1.108 107 K CB 0.979 33.480 32.500 0.001 0.000 0.855 107 K HN 0.548 nan 8.250 nan 0.000 0.517 108 S N -1.249 114.449 115.700 -0.004 0.000 2.543 108 S HA 0.260 4.730 4.470 0.000 0.000 0.274 108 S C -1.211 173.382 174.600 -0.012 0.000 1.149 108 S CA -1.112 57.083 58.200 -0.009 0.000 0.866 108 S CB 1.268 64.463 63.200 -0.008 0.000 1.111 108 S HN 0.110 nan 8.310 nan 0.000 0.457 109 C N 3.413 122.703 119.300 -0.015 0.000 2.319 109 C HA 0.711 5.171 4.460 0.000 0.000 0.335 109 C C 0.539 175.515 174.990 -0.023 0.000 1.274 109 C CA -0.736 58.270 59.018 -0.019 0.000 1.806 109 C CB -0.975 26.754 27.740 -0.018 0.000 2.329 109 C HN 0.842 nan 8.230 nan 0.000 0.524 110 L N 5.433 126.632 121.223 -0.039 0.000 3.202 110 L HA 0.330 4.670 4.340 0.000 0.000 0.278 110 L C 1.862 178.704 176.870 -0.046 0.000 1.268 110 L CA 0.087 54.903 54.840 -0.040 0.000 1.034 110 L CB -0.401 41.625 42.059 -0.055 0.000 1.407 110 L HN 0.890 nan 8.230 nan 0.000 0.581 111 G N -0.107 108.676 108.800 -0.028 0.000 2.586 111 G HA2 -0.216 3.744 3.960 0.000 0.000 0.215 111 G HA3 -0.216 3.744 3.960 0.000 0.000 0.215 111 G C 1.513 176.458 174.900 0.074 0.000 1.128 111 G CA 1.051 46.155 45.100 0.006 0.000 0.774 111 G HN 0.368 nan 8.290 nan 0.000 0.543 112 S N -0.267 115.473 115.700 0.066 0.000 2.496 112 S HA 0.157 4.627 4.470 0.000 0.000 0.224 112 S C 1.097 175.765 174.600 0.114 0.000 0.996 112 S CA -0.461 57.800 58.200 0.101 0.000 0.927 112 S CB -0.194 63.045 63.200 0.066 0.000 0.774 112 S HN 0.071 nan 8.310 nan 0.000 0.524 113 I N 2.961 123.578 120.570 0.078 0.000 2.618 113 I HA 0.057 4.227 4.170 0.000 0.000 0.284 113 I C 1.606 177.804 176.117 0.136 0.000 1.146 113 I CA 0.248 61.596 61.300 0.080 0.000 1.425 113 I CB 0.271 38.291 38.000 0.033 0.000 1.383 113 I HN 0.332 nan 8.210 nan 0.000 0.562 114 M N 4.741 124.439 119.600 0.162 0.000 2.062 114 M HA -0.111 4.369 4.480 0.000 0.000 0.259 114 M C 0.389 176.807 176.300 0.196 0.000 1.076 114 M CA 1.632 57.073 55.300 0.235 0.000 1.122 114 M CB -0.292 32.428 32.600 0.200 0.000 1.312 114 M HN 0.519 nan 8.290 nan 0.000 0.412 115 N N 1.569 120.340 118.700 0.117 0.000 2.898 115 N HA 0.329 5.069 4.740 0.000 0.000 0.245 115 N C -2.474 173.112 175.510 0.126 0.000 1.185 115 N CA -0.784 52.344 53.050 0.131 0.000 0.879 115 N CB 0.709 39.179 38.487 -0.027 0.000 1.157 115 N HN 0.266 nan 8.380 nan 0.000 0.503 116 P HA 0.260 nan 4.420 nan 0.000 0.279 116 P C 0.591 177.945 177.300 0.090 0.000 1.252 116 P CA -0.452 62.680 63.100 0.054 0.000 0.811 116 P CB 2.076 33.754 31.700 -0.036 0.000 1.035 117 K N 0.310 120.744 120.400 0.057 0.000 2.152 117 K HA -0.110 4.210 4.320 0.000 0.000 0.206 117 K C 1.999 178.664 176.600 0.108 0.000 1.048 117 K CA 1.996 58.327 56.287 0.073 0.000 0.933 117 K CB -0.360 32.164 32.500 0.041 0.000 0.721 117 K HN 0.548 nan 8.250 nan 0.000 0.447 118 S N 0.435 116.190 115.700 0.091 0.000 2.474 118 S HA -0.076 4.394 4.470 0.000 0.000 0.235 118 S C 1.507 176.263 174.600 0.261 0.000 0.997 118 S CA 0.724 59.022 58.200 0.164 0.000 0.949 118 S CB 0.017 63.290 63.200 0.122 0.000 0.766 118 S HN 0.078 nan 8.310 nan 0.000 0.517 119 L N 1.455 122.813 121.223 0.225 0.000 2.640 119 L HA 0.428 4.768 4.340 0.000 0.000 0.230 119 L C 0.050 177.113 176.870 0.322 0.000 1.123 119 L CA 0.531 55.489 54.840 0.197 0.000 0.900 119 L CB -0.229 41.846 42.059 0.028 0.000 1.146 119 L HN 0.241 nan 8.230 nan 0.000 0.484 120 T N 0.032 114.816 114.554 0.383 0.000 2.807 120 T HA 0.472 4.822 4.350 0.000 0.000 0.279 120 T C -0.158 174.638 174.700 0.160 0.000 0.993 120 T CA -0.473 61.827 62.100 0.333 0.000 0.970 120 T CB 2.229 71.232 68.868 0.226 0.000 0.950 120 T HN -0.016 nan 8.240 nan 0.000 0.441 121 R N 1.876 122.412 120.500 0.060 0.000 2.371 121 R HA 0.588 4.928 4.340 0.000 0.000 0.312 121 R C 0.640 176.903 176.300 -0.062 0.000 0.980 121 R CA -0.418 55.584 56.100 -0.164 0.000 0.867 121 R CB 0.429 30.447 30.300 -0.469 0.000 1.163 121 R HN 0.838 nan 8.270 nan 0.000 0.492 122 G N 3.591 112.355 108.800 -0.059 0.000 2.489 122 G HA2 0.268 4.228 3.960 0.000 0.000 0.271 122 G HA3 0.268 4.228 3.960 0.000 0.000 0.271 122 G C -2.092 172.775 174.900 -0.054 0.000 1.427 122 G CA -0.887 44.183 45.100 -0.050 0.000 1.057 122 G HN 0.453 nan 8.290 nan 0.000 0.532 123 P HA 0.384 nan 4.420 nan 0.000 0.274 123 P C -0.408 176.868 177.300 -0.040 0.000 1.256 123 P CA -0.295 62.778 63.100 -0.044 0.000 0.795 123 P CB 0.693 32.367 31.700 -0.044 0.000 1.038 124 R N 1.006 121.484 120.500 -0.037 0.000 2.651 124 R HA 0.248 4.588 4.340 0.000 0.000 0.278 124 R C -0.133 176.143 176.300 -0.039 0.000 1.010 124 R CA -0.493 55.585 56.100 -0.037 0.000 0.896 124 R CB 2.072 32.349 30.300 -0.039 0.000 1.211 124 R HN 0.434 nan 8.270 nan 0.000 0.456 125 D N 1.423 121.801 120.400 -0.037 0.000 2.468 125 D HA 0.096 4.736 4.640 0.000 0.000 0.243 125 D C -0.204 176.068 176.300 -0.048 0.000 0.994 125 D CA 1.105 55.080 54.000 -0.042 0.000 0.932 125 D CB 0.653 41.434 40.800 -0.031 0.000 1.078 125 D HN 0.283 nan 8.370 nan 0.000 0.473 126 K N 0.728 121.107 120.400 -0.036 0.000 2.139 126 K HA 0.457 4.777 4.320 0.000 0.000 0.243 126 K C -2.444 174.138 176.600 -0.029 0.000 0.983 126 K CA -1.684 54.584 56.287 -0.032 0.000 0.890 126 K CB 1.178 33.664 32.500 -0.022 0.000 1.090 126 K HN -0.156 nan 8.250 nan 0.000 0.445 127 P HA -0.034 nan 4.420 nan 0.000 0.273 127 P C -0.638 176.653 177.300 -0.014 0.000 1.258 127 P CA -0.142 62.947 63.100 -0.017 0.000 0.802 127 P CB 0.283 31.980 31.700 -0.006 0.000 1.040 128 T N 2.110 116.658 114.554 -0.010 0.000 2.814 128 T HA 0.217 4.567 4.350 0.000 0.000 0.297 128 T C -2.157 172.542 174.700 -0.002 0.000 0.956 128 T CA -0.786 61.311 62.100 -0.004 0.000 1.123 128 T CB -0.413 68.459 68.868 0.008 0.000 0.902 128 T HN 0.260 nan 8.240 nan 0.000 0.528 129 P HA 0.066 nan 4.420 nan 0.000 0.261 129 P C 0.996 178.285 177.300 -0.018 0.000 1.183 129 P CA 0.037 63.128 63.100 -0.015 0.000 0.761 129 P CB 0.356 32.042 31.700 -0.022 0.000 0.785 130 L N 3.273 124.490 121.223 -0.010 0.000 2.127 130 L HA -0.191 4.149 4.340 0.000 0.000 0.211 130 L C 2.210 179.062 176.870 -0.030 0.000 1.089 130 L CA 1.398 56.233 54.840 -0.008 0.000 0.757 130 L CB -0.911 41.148 42.059 0.000 0.000 0.899 130 L HN 0.505 nan 8.230 nan 0.000 0.434 131 E N 0.975 121.151 120.200 -0.040 0.000 2.265 131 E HA -0.228 4.122 4.350 0.000 0.000 0.196 131 E C 1.340 177.877 176.600 -0.104 0.000 0.996 131 E CA 1.224 57.590 56.400 -0.056 0.000 0.832 131 E CB -0.167 29.506 29.700 -0.044 0.000 0.756 131 E HN 0.656 nan 8.360 nan 0.000 0.491 132 E N 0.702 120.825 120.200 -0.128 0.000 2.127 132 E HA 0.110 4.460 4.350 0.000 0.000 0.191 132 E C 2.352 178.758 176.600 -0.323 0.000 0.964 132 E CA -0.026 56.214 56.400 -0.266 0.000 0.832 132 E CB 0.024 29.618 29.700 -0.176 0.000 0.790 132 E HN 0.128 nan 8.360 nan 0.000 0.465 133 L N 1.137 122.301 121.223 -0.099 0.000 1.994 133 L HA -0.183 4.157 4.340 0.000 0.000 0.208 133 L C 2.507 179.404 176.870 0.046 0.000 1.071 133 L CA 0.881 55.740 54.840 0.031 0.000 0.745 133 L CB -0.150 41.955 42.059 0.077 0.000 0.892 133 L HN 0.198 nan 8.230 nan 0.000 0.431 134 L N 0.544 121.763 121.223 -0.006 0.000 1.989 134 L HA -0.137 4.203 4.340 0.000 0.000 0.211 134 L C -0.548 176.326 176.870 0.006 0.000 1.071 134 L CA 2.195 57.028 54.840 -0.012 0.000 0.749 134 L CB -1.723 40.321 42.059 -0.025 0.000 0.890 134 L HN 0.099 nan 8.230 nan 0.000 0.431 135 P HA -0.129 nan 4.420 nan 0.000 0.216 135 P C 1.230 178.629 177.300 0.166 0.000 1.153 135 P CA 1.474 64.593 63.100 0.033 0.000 0.848 135 P CB -0.159 31.524 31.700 -0.028 0.000 0.787 136 H N -0.414 118.705 119.070 0.083 0.000 2.353 136 H HA -0.018 4.538 4.556 0.000 0.000 0.300 136 H C 1.982 177.420 175.328 0.184 0.000 1.090 136 H CA 1.383 57.506 56.048 0.125 0.000 1.327 136 H CB -1.210 28.621 29.762 0.115 0.000 1.383 136 H HN 0.029 nan 8.280 nan 0.000 0.508 137 A N 1.383 124.375 122.820 0.287 0.000 1.858 137 A HA -0.134 4.186 4.320 0.000 0.000 0.216 137 A C 2.419 180.098 177.584 0.157 0.000 1.190 137 A CA 1.562 53.716 52.037 0.196 0.000 0.617 137 A CB -0.600 18.319 19.000 -0.135 0.000 0.827 137 A HN 0.226 nan 8.150 nan 0.000 0.443 138 I N 0.289 120.913 120.570 0.090 0.000 2.194 138 I HA -0.253 3.917 4.170 0.000 0.000 0.246 138 I C 2.335 178.534 176.117 0.137 0.000 1.093 138 I CA 1.754 63.106 61.300 0.088 0.000 1.355 138 I CB -1.746 36.289 38.000 0.059 0.000 1.046 138 I HN 0.481 nan 8.210 nan 0.000 0.413 139 E N -0.042 120.261 120.200 0.170 0.000 2.110 139 E HA -0.246 4.104 4.350 0.000 0.000 0.193 139 E C 2.145 178.859 176.600 0.190 0.000 0.988 139 E CA 1.135 57.636 56.400 0.168 0.000 0.804 139 E CB -0.249 29.558 29.700 0.177 0.000 0.745 139 E HN 0.412 nan 8.360 nan 0.000 0.458 140 F N 1.113 121.154 119.950 0.151 0.000 2.146 140 F HA -0.144 4.383 4.527 0.000 0.000 0.298 140 F C 1.898 177.807 175.800 0.181 0.000 1.096 140 F CA 0.961 59.069 58.000 0.180 0.000 1.275 140 F CB -0.098 39.027 39.000 0.210 0.000 1.008 140 F HN -0.103 nan 8.300 nan 0.000 0.480 141 I N 1.029 121.574 120.570 -0.040 0.000 2.361 141 I HA -0.291 3.879 4.170 0.000 0.000 0.251 141 I C 2.238 178.326 176.117 -0.047 0.000 1.133 141 I CA 1.274 62.542 61.300 -0.052 0.000 1.413 141 I CB -0.947 37.145 38.000 0.154 0.000 1.073 141 I HN 0.253 nan 8.210 nan 0.000 0.424 142 N N -0.258 118.452 118.700 0.017 0.000 2.216 142 N HA -0.216 4.524 4.740 0.000 0.000 0.183 142 N C 1.880 177.340 175.510 -0.083 0.000 1.017 142 N CA 0.941 54.018 53.050 0.044 0.000 0.861 142 N CB -0.011 38.556 38.487 0.134 0.000 0.986 142 N HN 0.520 nan 8.380 nan 0.000 0.428 143 Q N 0.135 119.876 119.800 -0.099 0.000 2.046 143 Q HA -0.198 4.142 4.340 0.000 0.000 0.200 143 Q C 2.018 177.865 176.000 -0.255 0.000 0.975 143 Q CA 1.192 56.949 55.803 -0.077 0.000 0.836 143 Q CB -0.170 28.604 28.738 0.061 0.000 0.896 143 Q HN 0.373 nan 8.270 nan 0.000 0.428 144 Y N 0.106 119.969 120.300 -0.728 0.000 2.097 144 Y HA -0.295 4.255 4.550 0.000 0.000 0.282 144 Y C 1.594 176.949 175.900 -0.907 0.000 1.152 144 Y CA 1.995 59.360 58.100 -1.226 0.000 1.136 144 Y CB -0.619 37.076 38.460 -1.276 0.000 0.975 144 Y HN 0.193 nan 8.280 nan 0.000 0.498 145 Y N -0.290 119.593 120.300 -0.695 0.000 2.439 145 Y HA 0.047 4.597 4.550 0.000 0.000 0.292 145 Y C 2.533 178.159 175.900 -0.457 0.000 1.130 145 Y CA 1.142 58.824 58.100 -0.697 0.000 1.254 145 Y CB -0.674 37.220 38.460 -0.943 0.000 1.000 145 Y HN 0.227 nan 8.280 nan 0.000 0.554 146 G N -1.584 107.069 108.800 -0.245 0.000 2.920 146 G HA2 -0.094 3.866 3.960 0.000 0.000 0.208 146 G HA3 -0.094 3.866 3.960 0.000 0.000 0.208 146 G C 1.512 176.339 174.900 -0.121 0.000 1.159 146 G CA 0.789 45.825 45.100 -0.107 0.000 0.784 146 G HN 0.418 nan 8.290 nan 0.000 0.535 147 S N -0.968 114.587 115.700 -0.241 0.000 2.517 147 S HA 0.351 4.821 4.470 0.000 0.000 0.214 147 S C 0.262 174.767 174.600 -0.158 0.000 0.991 147 S CA -0.622 57.473 58.200 -0.176 0.000 0.906 147 S CB -0.020 63.069 63.200 -0.184 0.000 0.789 147 S HN 0.025 nan 8.310 nan 0.000 0.513 148 F N 2.973 122.781 119.950 -0.235 0.000 2.399 148 F HA 0.487 5.014 4.527 0.000 0.000 0.334 148 F C 0.285 176.033 175.800 -0.086 0.000 1.097 148 F CA -1.363 56.543 58.000 -0.156 0.000 1.076 148 F CB 1.364 40.247 39.000 -0.196 0.000 1.162 148 F HN -0.047 nan 8.300 nan 0.000 0.495 149 K N 5.086 125.513 120.400 0.045 0.000 2.395 149 K HA 0.039 4.359 4.320 0.000 0.000 0.283 149 K C -0.264 176.482 176.600 0.243 0.000 1.068 149 K CA 0.449 56.794 56.287 0.097 0.000 1.039 149 K CB -0.098 32.410 32.500 0.013 0.000 0.924 149 K HN 0.794 nan 8.250 nan 0.000 0.468 150 E N 2.308 122.586 120.200 0.130 0.000 3.726 150 E HA -0.180 4.170 4.350 0.000 0.000 0.165 150 E C -1.482 175.175 176.600 0.094 0.000 1.525 150 E CA 0.256 56.712 56.400 0.094 0.000 0.867 150 E CB -1.267 28.480 29.700 0.078 0.000 1.077 150 E HN 0.670 nan 8.360 nan 0.000 0.378 151 A N 3.812 126.679 122.820 0.078 0.000 2.346 151 A HA 0.465 4.785 4.320 0.000 0.000 0.252 151 A C -0.042 177.572 177.584 0.050 0.000 1.089 151 A CA 0.029 52.111 52.037 0.075 0.000 0.797 151 A CB 0.533 19.587 19.000 0.090 0.000 1.047 151 A HN 0.423 nan 8.150 nan 0.000 0.494 152 K N 1.866 122.308 120.400 0.070 0.000 2.356 152 K HA 0.391 4.711 4.320 0.000 0.000 0.243 152 K C 0.376 176.974 176.600 -0.003 0.000 1.072 152 K CA 0.066 56.372 56.287 0.031 0.000 1.014 152 K CB 0.498 33.024 32.500 0.044 0.000 1.523 152 K HN 0.570 nan 8.250 nan 0.000 0.455 153 I N 1.589 122.152 120.570 -0.011 0.000 2.264 153 I HA -0.321 3.849 4.170 0.000 0.000 0.248 153 I C 2.181 178.231 176.117 -0.112 0.000 1.111 153 I CA 1.237 62.505 61.300 -0.053 0.000 1.382 153 I CB -0.116 37.851 38.000 -0.054 0.000 1.060 153 I HN 0.601 nan 8.210 nan 0.000 0.418 154 E N 1.637 121.785 120.200 -0.086 0.000 2.208 154 E HA -0.208 4.142 4.350 0.000 0.000 0.193 154 E C 1.525 178.059 176.600 -0.110 0.000 0.988 154 E CA 1.181 57.527 56.400 -0.090 0.000 0.828 154 E CB -0.508 29.158 29.700 -0.057 0.000 0.763 154 E HN 0.594 nan 8.360 nan 0.000 0.478 155 E N 0.095 120.220 120.200 -0.126 0.000 2.122 155 E HA -0.107 4.243 4.350 0.000 0.000 0.190 155 E C 2.099 178.424 176.600 -0.458 0.000 0.977 155 E CA 0.638 56.949 56.400 -0.148 0.000 0.820 155 E CB -0.276 29.427 29.700 0.005 0.000 0.770 155 E HN 0.560 nan 8.360 nan 0.000 0.462 156 H N 0.400 118.931 119.070 -0.899 0.000 2.293 156 H HA -0.130 4.426 4.556 0.000 0.000 0.300 156 H C 2.021 177.026 175.328 -0.538 0.000 1.082 156 H CA 0.788 56.075 56.048 -1.269 0.000 1.308 156 H CB 0.268 29.562 29.762 -0.781 0.000 1.375 156 H HN 0.029 nan 8.280 nan 0.000 0.495 157 L N 0.895 121.950 121.223 -0.280 0.000 2.083 157 L HA -0.107 4.233 4.340 0.000 0.000 0.209 157 L C 2.836 179.630 176.870 -0.126 0.000 1.083 157 L CA 1.708 56.417 54.840 -0.218 0.000 0.752 157 L CB -1.176 40.769 42.059 -0.189 0.000 0.899 157 L HN 0.431 nan 8.230 nan 0.000 0.433 158 A N -0.866 121.885 122.820 -0.114 0.000 1.898 158 A HA -0.215 4.105 4.320 0.000 0.000 0.216 158 A C 2.469 180.040 177.584 -0.021 0.000 1.181 158 A CA 1.552 53.555 52.037 -0.056 0.000 0.620 158 A CB -0.424 18.553 19.000 -0.038 0.000 0.819 158 A HN 0.302 nan 8.150 nan 0.000 0.442 159 R N -0.064 120.425 120.500 -0.018 0.000 2.092 159 R HA 0.039 4.379 4.340 0.000 0.000 0.231 159 R C 1.807 178.146 176.300 0.064 0.000 1.119 159 R CA 1.355 57.503 56.100 0.080 0.000 0.970 159 R CB -0.809 29.637 30.300 0.244 0.000 0.864 159 R HN 0.511 nan 8.270 nan 0.000 0.440 160 L N 0.174 121.418 121.223 0.036 0.000 2.046 160 L HA -0.119 4.221 4.340 0.000 0.000 0.208 160 L C 2.597 179.458 176.870 -0.015 0.000 1.077 160 L CA 1.677 56.529 54.840 0.019 0.000 0.747 160 L CB -0.516 41.545 42.059 0.004 0.000 0.896 160 L HN 0.329 nan 8.230 nan 0.000 0.432 161 E N 0.250 120.438 120.200 -0.021 0.000 2.047 161 E HA -0.237 4.113 4.350 0.000 0.000 0.191 161 E C 2.200 178.794 176.600 -0.010 0.000 0.987 161 E CA 1.338 57.725 56.400 -0.021 0.000 0.799 161 E CB 0.050 29.735 29.700 -0.025 0.000 0.752 161 E HN 0.457 nan 8.360 nan 0.000 0.449 162 A N 0.648 123.471 122.820 0.004 0.000 1.902 162 A HA -0.131 4.189 4.320 0.000 0.000 0.217 162 A C 2.472 180.066 177.584 0.016 0.000 1.181 162 A CA 1.401 53.450 52.037 0.021 0.000 0.623 162 A CB -0.671 18.355 19.000 0.042 0.000 0.818 162 A HN 0.197 nan 8.150 nan 0.000 0.443 163 V N -0.218 119.690 119.914 -0.010 0.000 2.343 163 V HA -0.218 3.902 4.120 0.000 0.000 0.247 163 V C 2.762 178.796 176.094 -0.100 0.000 1.051 163 V CA 2.476 64.720 62.300 -0.092 0.000 1.036 163 V CB -1.123 30.568 31.823 -0.221 0.000 0.654 163 V HN 0.628 nan 8.190 nan 0.000 0.451 164 T N -0.575 113.937 114.554 -0.069 0.000 2.777 164 T HA -0.236 4.114 4.350 0.000 0.000 0.266 164 T C 1.943 176.632 174.700 -0.018 0.000 1.040 164 T CA 1.784 63.855 62.100 -0.048 0.000 1.141 164 T CB -0.175 68.672 68.868 -0.036 0.000 0.868 164 T HN 0.428 nan 8.240 nan 0.000 0.444 165 K N 1.014 121.411 120.400 -0.006 0.000 2.057 165 K HA -0.130 4.190 4.320 0.000 0.000 0.207 165 K C 2.359 178.973 176.600 0.022 0.000 1.049 165 K CA 1.506 57.797 56.287 0.008 0.000 0.931 165 K CB -0.049 32.457 32.500 0.011 0.000 0.714 165 K HN 0.378 nan 8.250 nan 0.000 0.440 166 E N 0.340 120.560 120.200 0.035 0.000 2.072 166 E HA -0.160 4.190 4.350 0.000 0.000 0.191 166 E C 1.937 178.582 176.600 0.075 0.000 0.985 166 E CA 1.167 57.606 56.400 0.066 0.000 0.801 166 E CB -0.008 29.755 29.700 0.105 0.000 0.750 166 E HN 0.347 nan 8.360 nan 0.000 0.452 167 I N 1.605 122.211 120.570 0.059 0.000 2.179 167 I HA -0.279 3.891 4.170 0.000 0.000 0.242 167 I C 2.471 178.614 176.117 0.044 0.000 1.088 167 I CA 1.650 62.990 61.300 0.066 0.000 1.357 167 I CB -0.485 37.533 38.000 0.031 0.000 1.051 167 I HN 0.248 nan 8.210 nan 0.000 0.409 168 E N 0.231 120.446 120.200 0.025 0.000 2.274 168 E HA -0.134 4.216 4.350 0.000 0.000 0.194 168 E C 1.728 178.342 176.600 0.023 0.000 0.996 168 E CA 1.453 57.865 56.400 0.019 0.000 0.840 168 E CB -0.322 29.383 29.700 0.009 0.000 0.772 168 E HN 0.397 nan 8.360 nan 0.000 0.491 169 T N 0.801 115.373 114.554 0.030 0.000 2.866 169 T HA -0.082 4.268 4.350 0.000 0.000 0.250 169 T C 2.071 176.793 174.700 0.035 0.000 1.033 169 T CA 1.772 63.891 62.100 0.031 0.000 1.145 169 T CB -0.146 68.742 68.868 0.032 0.000 0.866 169 T HN 0.454 nan 8.240 nan 0.000 0.434 170 T N -1.576 113.005 114.554 0.046 0.000 3.044 170 T HA 0.456 4.806 4.350 0.000 0.000 0.250 170 T C 1.770 176.498 174.700 0.047 0.000 1.081 170 T CA 0.821 62.949 62.100 0.047 0.000 1.040 170 T CB 0.263 69.163 68.868 0.055 0.000 0.962 170 T HN 0.543 nan 8.240 nan 0.000 0.506 171 G N -0.044 108.786 108.800 0.051 0.000 2.194 171 G HA2 -0.156 3.804 3.960 0.000 0.000 0.236 171 G HA3 -0.156 3.804 3.960 0.000 0.000 0.236 171 G C 0.200 175.138 174.900 0.063 0.000 0.987 171 G CA 0.375 45.503 45.100 0.047 0.000 0.635 171 G HN 1.013 nan 8.290 nan 0.000 0.520 172 T N -1.380 113.228 114.554 0.090 0.000 2.661 172 T HA 0.633 4.983 4.350 0.000 0.000 0.305 172 T C -1.721 173.110 174.700 0.219 0.000 1.441 172 T CA 0.436 62.614 62.100 0.130 0.000 0.999 172 T CB 1.174 70.064 68.868 0.038 0.000 1.650 172 T HN 1.625 nan 8.240 nan 0.000 0.489 173 Y N -0.093 120.216 120.300 0.016 0.000 2.615 173 Y HA 0.846 5.396 4.550 0.000 0.000 0.341 173 Y C -1.193 174.726 175.900 0.032 0.000 1.089 173 Y CA -1.138 56.981 58.100 0.032 0.000 1.049 173 Y CB 1.163 39.655 38.460 0.053 0.000 1.296 173 Y HN 0.402 nan 8.280 nan 0.000 0.470 174 Q N 2.504 122.336 119.800 0.052 0.000 2.312 174 Q HA 0.480 4.820 4.340 0.000 0.000 0.263 174 Q C -0.917 175.111 176.000 0.046 0.000 0.995 174 Q CA -0.748 55.034 55.803 -0.034 0.000 0.853 174 Q CB 2.779 31.537 28.738 0.033 0.000 1.300 174 Q HN 0.867 nan 8.270 nan 0.000 0.448 175 L N 1.602 122.815 121.223 -0.016 0.000 2.395 175 L HA 0.283 4.623 4.340 0.000 0.000 0.269 175 L C 1.118 178.015 176.870 0.045 0.000 1.133 175 L CA -0.374 54.502 54.840 0.061 0.000 0.812 175 L CB 0.772 42.840 42.059 0.015 0.000 1.125 175 L HN 0.688 nan 8.230 nan 0.000 0.452 176 T N -0.905 113.670 114.554 0.035 0.000 2.828 176 T HA 0.100 4.450 4.350 0.000 0.000 0.290 176 T C 0.920 175.608 174.700 -0.020 0.000 1.019 176 T CA -0.677 61.428 62.100 0.009 0.000 1.031 176 T CB 0.981 69.847 68.868 -0.002 0.000 1.001 176 T HN 0.476 nan 8.240 nan 0.000 0.531 177 L N 0.624 121.838 121.223 -0.015 0.000 2.046 177 L HA 0.026 4.366 4.340 0.000 0.000 0.208 177 L C 2.018 178.879 176.870 -0.016 0.000 1.077 177 L CA 1.963 56.785 54.840 -0.029 0.000 0.747 177 L CB -1.177 40.869 42.059 -0.022 0.000 0.896 177 L HN 0.862 nan 8.230 nan 0.000 0.432 178 D N -0.821 119.582 120.400 0.004 0.000 2.144 178 D HA -0.188 4.452 4.640 0.000 0.000 0.199 178 D C 2.038 178.352 176.300 0.024 0.000 0.984 178 D CA 1.427 55.462 54.000 0.058 0.000 0.834 178 D CB 0.109 40.980 40.800 0.118 0.000 0.955 178 D HN 0.517 nan 8.370 nan 0.000 0.465 179 E N -0.023 120.058 120.200 -0.200 0.000 2.107 179 E HA -0.099 4.251 4.350 0.000 0.000 0.191 179 E C 2.119 178.794 176.600 0.124 0.000 0.982 179 E CA 0.195 56.427 56.400 -0.279 0.000 0.809 179 E CB 0.016 29.544 29.700 -0.286 0.000 0.756 179 E HN 0.286 nan 8.360 nan 0.000 0.459 180 L N 1.037 122.265 121.223 0.008 0.000 2.017 180 L HA -0.213 4.127 4.340 0.000 0.000 0.208 180 L C 2.336 179.192 176.870 -0.023 0.000 1.073 180 L CA 1.319 56.117 54.840 -0.071 0.000 0.745 180 L CB -0.213 41.758 42.059 -0.146 0.000 0.894 180 L HN 0.217 nan 8.230 nan 0.000 0.432 181 I N -0.778 119.807 120.570 0.027 0.000 2.127 181 I HA -0.399 3.771 4.170 0.000 0.000 0.241 181 I C 2.444 178.655 176.117 0.156 0.000 1.075 181 I CA 1.753 63.084 61.300 0.052 0.000 1.334 181 I CB -0.379 37.661 38.000 0.067 0.000 1.040 181 I HN 0.241 nan 8.210 nan 0.000 0.405 182 F N 1.610 121.637 119.950 0.127 0.000 2.171 182 F HA -0.235 4.292 4.527 0.000 0.000 0.300 182 F C 2.399 178.327 175.800 0.214 0.000 1.090 182 F CA 1.398 59.534 58.000 0.226 0.000 1.293 182 F CB -0.319 38.901 39.000 0.367 0.000 1.013 182 F HN 0.011 nan 8.300 nan 0.000 0.486 183 A N 0.068 122.995 122.820 0.178 0.000 1.877 183 A HA -0.206 4.114 4.320 0.000 0.000 0.216 183 A C 2.297 179.785 177.584 -0.160 0.000 1.186 183 A CA 2.574 54.594 52.037 -0.027 0.000 0.620 183 A CB -1.655 17.263 19.000 -0.137 0.000 0.822 183 A HN 0.539 nan 8.150 nan 0.000 0.443 184 T N -1.597 112.897 114.554 -0.100 0.000 2.746 184 T HA -0.151 4.199 4.350 0.000 0.000 0.267 184 T C 1.820 176.556 174.700 0.060 0.000 1.039 184 T CA 1.676 63.752 62.100 -0.041 0.000 1.142 184 T CB -0.332 68.520 68.868 -0.027 0.000 0.866 184 T HN 0.525 nan 8.240 nan 0.000 0.444 185 K N 0.222 120.677 120.400 0.091 0.000 2.057 185 K HA 0.123 4.443 4.320 0.000 0.000 0.206 185 K C 2.523 179.217 176.600 0.158 0.000 1.050 185 K CA 1.155 57.603 56.287 0.268 0.000 0.935 185 K CB -0.210 32.461 32.500 0.285 0.000 0.715 185 K HN 0.228 nan 8.250 nan 0.000 0.439 186 M N 0.356 119.862 119.600 -0.157 0.000 2.175 186 M HA -0.053 4.427 4.480 0.000 0.000 0.264 186 M C 2.335 178.461 176.300 -0.291 0.000 1.063 186 M CA 1.249 56.342 55.300 -0.345 0.000 1.119 186 M CB -0.848 31.427 32.600 -0.541 0.000 1.377 186 M HN 0.163 nan 8.290 nan 0.000 0.415 187 A N -0.984 121.632 122.820 -0.341 0.000 1.969 187 A HA -0.186 4.134 4.320 0.000 0.000 0.218 187 A C 1.976 179.298 177.584 -0.437 0.000 1.169 187 A CA 1.077 52.756 52.037 -0.597 0.000 0.635 187 A CB -0.954 17.322 19.000 -1.207 0.000 0.810 187 A HN 0.659 nan 8.150 nan 0.000 0.445 188 W N 1.005 122.125 121.300 -0.299 0.000 2.379 188 W HA -0.085 4.575 4.660 0.000 0.000 0.307 188 W C 2.266 178.692 176.519 -0.156 0.000 1.200 188 W CA 1.367 58.655 57.345 -0.096 0.000 1.297 188 W CB -0.757 28.692 29.460 -0.017 0.000 1.140 188 W HN 0.346 nan 8.180 nan 0.000 0.507 189 R N 0.337 120.743 120.500 -0.157 0.000 2.103 189 R HA -0.212 4.128 4.340 0.000 0.000 0.242 189 R C 1.461 177.609 176.300 -0.254 0.000 1.142 189 R CA 1.973 57.833 56.100 -0.401 0.000 0.960 189 R CB -0.565 29.311 30.300 -0.707 0.000 0.858 189 R HN 0.084 nan 8.270 nan 0.000 0.439 190 N N 0.069 118.637 118.700 -0.220 0.000 2.449 190 N HA 0.033 4.773 4.740 0.000 0.000 0.191 190 N C -0.656 174.749 175.510 -0.174 0.000 1.161 190 N CA 0.562 53.518 53.050 -0.156 0.000 0.863 190 N CB 0.673 39.119 38.487 -0.068 0.000 0.980 190 N HN 0.174 nan 8.380 nan 0.000 0.458 191 A N 2.246 124.947 122.820 -0.198 0.000 2.437 191 A HA 0.236 4.556 4.320 0.000 0.000 0.303 191 A C -1.015 176.485 177.584 -0.141 0.000 1.324 191 A CA -1.122 50.754 52.037 -0.269 0.000 0.983 191 A CB 0.468 19.382 19.000 -0.142 0.000 1.142 191 A HN 0.006 nan 8.150 nan 0.000 0.541 192 P HA -0.146 nan 4.420 nan 0.000 0.225 192 P C 0.787 178.043 177.300 -0.072 0.000 1.148 192 P CA 1.036 64.084 63.100 -0.086 0.000 0.779 192 P CB 0.214 31.863 31.700 -0.086 0.000 0.780 193 R N -1.504 118.921 120.500 -0.124 0.000 2.334 193 R HA 0.160 4.500 4.340 0.000 0.000 0.216 193 R C 0.598 176.918 176.300 0.033 0.000 0.905 193 R CA -0.200 55.869 56.100 -0.051 0.000 1.064 193 R CB -0.224 29.871 30.300 -0.342 0.000 1.046 193 R HN 0.158 nan 8.270 nan 0.000 0.508 194 C N 0.670 119.952 119.300 -0.031 0.000 2.307 194 C HA 0.368 4.828 4.460 0.000 0.000 0.340 194 C C 1.712 176.624 174.990 -0.130 0.000 1.275 194 C CA -0.704 58.313 59.018 -0.001 0.000 1.811 194 C CB -0.324 27.484 27.740 0.114 0.000 2.372 194 C HN 0.458 nan 8.230 nan 0.000 0.531 195 I N 4.300 124.777 120.570 -0.154 0.000 2.584 195 I HA 0.115 4.285 4.170 0.000 0.000 0.255 195 I C 2.381 178.502 176.117 0.007 0.000 1.145 195 I CA 1.219 62.359 61.300 -0.266 0.000 1.462 195 I CB -0.261 37.637 38.000 -0.169 0.000 1.102 195 I HN 0.907 nan 8.210 nan 0.000 0.433 196 G N 0.719 109.548 108.800 0.048 0.000 2.956 196 G HA2 -0.092 3.868 3.960 0.000 0.000 0.207 196 G HA3 -0.092 3.868 3.960 0.000 0.000 0.207 196 G C 1.488 176.413 174.900 0.042 0.000 1.162 196 G CA -0.207 44.937 45.100 0.073 0.000 0.796 196 G HN 0.282 nan 8.290 nan 0.000 0.527 197 R N -0.339 120.130 120.500 -0.051 0.000 2.316 197 R HA -0.023 4.317 4.340 0.000 0.000 0.232 197 R C 2.069 177.855 176.300 -0.855 0.000 1.137 197 R CA 0.468 56.248 56.100 -0.534 0.000 1.012 197 R CB -0.306 29.757 30.300 -0.395 0.000 0.859 197 R HN 0.471 nan 8.270 nan 0.000 0.474 198 I N 0.888 121.133 120.570 -0.541 0.000 2.567 198 I HA -0.247 3.923 4.170 0.000 0.000 0.257 198 I C 1.521 177.505 176.117 -0.221 0.000 1.184 198 I CA 1.245 62.360 61.300 -0.309 0.000 1.451 198 I CB 0.134 38.126 38.000 -0.015 0.000 1.089 198 I HN 0.181 nan 8.210 nan 0.000 0.441 199 Q N 0.551 120.161 119.800 -0.315 0.000 2.451 199 Q HA -0.136 4.204 4.340 0.000 0.000 0.206 199 Q C 1.688 177.223 176.000 -0.774 0.000 0.947 199 Q CA 0.638 56.248 55.803 -0.322 0.000 0.937 199 Q CB -0.325 28.386 28.738 -0.045 0.000 1.025 199 Q HN 0.793 nan 8.270 nan 0.000 0.511 200 W N 1.613 122.107 121.300 -1.343 0.000 2.276 200 W HA -0.301 4.359 4.660 0.000 0.000 0.307 200 W C 1.258 177.448 176.519 -0.549 0.000 1.240 200 W CA 1.741 58.166 57.345 -1.534 0.000 1.249 200 W CB -1.410 27.377 29.460 -1.121 0.000 1.140 200 W HN 0.180 nan 8.180 nan 0.000 0.519 201 S N 0.532 115.320 115.700 -1.519 0.000 2.527 201 S HA -0.041 4.429 4.470 0.000 0.000 0.222 201 S C 0.292 174.629 174.600 -0.437 0.000 0.985 201 S CA 0.387 57.898 58.200 -1.149 0.000 0.921 201 S CB -0.928 61.473 63.200 -1.332 0.000 0.772 201 S HN 0.369 nan 8.310 nan 0.000 0.529 202 N N 1.730 120.282 118.700 -0.247 0.000 2.767 202 N HA 0.571 5.311 4.740 0.000 0.000 0.238 202 N C -1.352 174.241 175.510 0.138 0.000 1.083 202 N CA -0.346 52.688 53.050 -0.026 0.000 0.964 202 N CB 1.043 39.551 38.487 0.035 0.000 1.252 202 N HN 0.212 nan 8.380 nan 0.000 0.512 203 L N 1.444 122.717 121.223 0.083 0.000 2.470 203 L HA 0.377 4.717 4.340 0.000 0.000 0.268 203 L C -1.242 175.593 176.870 -0.059 0.000 0.964 203 L CA -0.768 54.118 54.840 0.076 0.000 0.839 203 L CB 2.046 44.205 42.059 0.167 0.000 1.276 203 L HN 0.271 nan 8.230 nan 0.000 0.403 204 Q N 2.965 122.678 119.800 -0.145 0.000 2.274 204 Q HA 0.605 4.945 4.340 0.000 0.000 0.256 204 Q C -1.604 174.053 176.000 -0.571 0.000 0.927 204 Q CA -0.185 55.378 55.803 -0.400 0.000 0.939 204 Q CB 1.480 29.860 28.738 -0.597 0.000 1.201 204 Q HN 0.523 nan 8.270 nan 0.000 0.426 205 V N 5.853 125.421 119.914 -0.576 0.000 2.370 205 V HA 0.411 4.531 4.120 0.000 0.000 0.283 205 V C -0.811 174.902 176.094 -0.635 0.000 1.023 205 V CA -0.577 61.418 62.300 -0.507 0.000 0.857 205 V CB 0.565 32.219 31.823 -0.282 0.000 0.985 205 V HN 0.646 nan 8.190 nan 0.000 0.443 206 F N 2.714 122.468 119.950 -0.327 0.000 2.361 206 F HA 0.357 4.884 4.527 0.000 0.000 0.364 206 F C 0.563 176.119 175.800 -0.407 0.000 1.120 206 F CA -1.278 56.511 58.000 -0.351 0.000 1.102 206 F CB 0.955 39.723 39.000 -0.386 0.000 1.183 206 F HN 0.434 nan 8.300 nan 0.000 0.476 207 D N 3.486 123.802 120.400 -0.140 0.000 2.402 207 D HA 0.330 4.970 4.640 0.000 0.000 0.235 207 D C 0.172 176.301 176.300 -0.285 0.000 1.226 207 D CA 0.207 54.081 54.000 -0.209 0.000 0.918 207 D CB 0.814 41.539 40.800 -0.125 0.000 1.043 207 D HN 0.593 nan 8.370 nan 0.000 0.506 208 A N 4.581 127.114 122.820 -0.478 0.000 2.701 208 A HA 0.174 4.494 4.320 0.000 0.000 0.297 208 A C 1.576 178.977 177.584 -0.305 0.000 1.197 208 A CA -0.433 51.227 52.037 -0.628 0.000 0.963 208 A CB 0.056 18.253 19.000 -1.338 0.000 1.175 208 A HN 0.502 nan 8.150 nan 0.000 0.531 209 R N 0.880 121.263 120.500 -0.194 0.000 2.280 209 R HA -0.067 4.273 4.340 0.000 0.000 0.207 209 R C 1.376 177.631 176.300 -0.075 0.000 1.043 209 R CA 1.159 57.196 56.100 -0.106 0.000 1.006 209 R CB 0.008 30.284 30.300 -0.041 0.000 0.885 209 R HN 0.788 nan 8.270 nan 0.000 0.467 210 N N 0.013 118.690 118.700 -0.039 0.000 2.422 210 N HA -0.069 4.671 4.740 0.000 0.000 0.181 210 N C 0.643 176.185 175.510 0.054 0.000 1.080 210 N CA -0.062 52.995 53.050 0.013 0.000 0.893 210 N CB -0.184 38.324 38.487 0.035 0.000 0.973 210 N HN 0.009 nan 8.380 nan 0.000 0.456 211 C N 2.044 121.388 119.300 0.073 0.000 2.665 211 C HA 0.201 4.661 4.460 0.000 0.000 0.416 211 C C 1.888 176.985 174.990 0.178 0.000 1.305 211 C CA 0.677 59.803 59.018 0.181 0.000 1.903 211 C CB 0.060 27.990 27.740 0.317 0.000 2.704 211 C HN 0.646 nan 8.230 nan 0.000 0.629 212 S N 1.378 117.251 115.700 0.289 0.000 2.658 212 S HA 0.181 4.652 4.470 0.000 0.000 0.277 212 S C 0.244 175.005 174.600 0.269 0.000 1.078 212 S CA 0.443 58.857 58.200 0.356 0.000 1.124 212 S CB -0.258 63.057 63.200 0.192 0.000 1.016 212 S HN 1.047 nan 8.310 nan 0.000 0.543 213 T N -0.812 113.861 114.554 0.198 0.000 2.940 213 T HA 0.843 5.193 4.350 0.000 0.000 0.288 213 T C 1.254 176.011 174.700 0.095 0.000 1.033 213 T CA -0.175 61.990 62.100 0.108 0.000 1.033 213 T CB 1.566 70.484 68.868 0.085 0.000 1.079 213 T HN 0.300 nan 8.240 nan 0.000 0.496 214 A N 0.582 123.438 122.820 0.060 0.000 1.972 214 A HA -0.054 4.266 4.320 0.000 0.000 0.219 214 A C 2.286 179.834 177.584 -0.060 0.000 1.169 214 A CA 1.850 53.919 52.037 0.053 0.000 0.635 214 A CB -1.070 18.049 19.000 0.199 0.000 0.810 214 A HN 0.866 nan 8.150 nan 0.000 0.446 215 Q N 0.240 120.067 119.800 0.044 0.000 2.167 215 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 215 Q C 1.697 177.664 176.000 -0.054 0.000 0.970 215 Q CA 2.108 57.899 55.803 -0.021 0.000 0.855 215 Q CB -0.315 28.504 28.738 0.135 0.000 0.911 215 Q HN 0.751 nan 8.270 nan 0.000 0.438 216 E N -0.749 119.447 120.200 -0.007 0.000 2.208 216 E HA -0.095 4.255 4.350 0.000 0.000 0.193 216 E C 1.900 178.518 176.600 0.029 0.000 0.988 216 E CA 0.723 57.106 56.400 -0.030 0.000 0.828 216 E CB -0.048 29.686 29.700 0.056 0.000 0.763 216 E HN 0.427 nan 8.360 nan 0.000 0.478 217 M N 0.031 119.660 119.600 0.048 0.000 2.067 217 M HA -0.151 4.329 4.480 0.000 0.000 0.260 217 M C 2.187 178.498 176.300 0.018 0.000 1.069 217 M CA 1.320 56.627 55.300 0.011 0.000 1.117 217 M CB -0.248 32.204 32.600 -0.246 0.000 1.334 217 M HN 0.157 nan 8.290 nan 0.000 0.407 218 F N 1.357 121.097 119.950 -0.349 0.000 2.154 218 F HA -0.283 4.244 4.527 0.000 0.000 0.301 218 F C 2.185 177.862 175.800 -0.204 0.000 1.087 218 F CA 1.870 59.615 58.000 -0.425 0.000 1.274 218 F CB -0.505 37.865 39.000 -1.050 0.000 1.009 218 F HN 0.214 nan 8.300 nan 0.000 0.485 219 Q N -1.111 118.422 119.800 -0.445 0.000 2.079 219 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 219 Q C 2.057 177.853 176.000 -0.340 0.000 0.974 219 Q CA 1.947 57.464 55.803 -0.477 0.000 0.840 219 Q CB -0.393 28.140 28.738 -0.342 0.000 0.898 219 Q HN 0.609 nan 8.270 nan 0.000 0.430 220 H N -0.019 118.979 119.070 -0.120 0.000 2.321 220 H HA -0.096 4.460 4.556 0.000 0.000 0.300 220 H C 1.987 177.271 175.328 -0.073 0.000 1.087 220 H CA 1.435 57.437 56.048 -0.077 0.000 1.319 220 H CB 0.076 29.900 29.762 0.103 0.000 1.379 220 H HN 0.153 nan 8.280 nan 0.000 0.501 221 I N -0.134 120.529 120.570 0.155 0.000 2.208 221 I HA -0.349 3.821 4.170 0.000 0.000 0.245 221 I C 2.229 178.340 176.117 -0.009 0.000 1.097 221 I CA 0.825 62.203 61.300 0.130 0.000 1.363 221 I CB -0.271 37.817 38.000 0.147 0.000 1.051 221 I HN 0.438 nan 8.210 nan 0.000 0.413 222 C N 0.277 119.443 119.300 -0.223 0.000 2.429 222 C HA -0.169 4.291 4.460 0.000 0.000 0.277 222 C C 2.986 177.893 174.990 -0.137 0.000 1.262 222 C CA 0.973 59.845 59.018 -0.243 0.000 1.733 222 C CB -1.199 26.268 27.740 -0.455 0.000 2.010 222 C HN 0.488 nan 8.230 nan 0.000 0.483 223 R N 0.018 120.420 120.500 -0.165 0.000 2.105 223 R HA -0.185 4.155 4.340 0.000 0.000 0.239 223 R C 2.249 178.486 176.300 -0.105 0.000 1.135 223 R CA 1.781 57.772 56.100 -0.182 0.000 0.967 223 R CB -0.732 29.373 30.300 -0.325 0.000 0.861 223 R HN 0.756 nan 8.270 nan 0.000 0.442 224 H N 0.258 119.224 119.070 -0.173 0.000 2.256 224 H HA -0.120 4.436 4.556 0.000 0.000 0.299 224 H C 2.228 177.615 175.328 0.098 0.000 1.071 224 H CA 2.083 58.130 56.048 -0.002 0.000 1.280 224 H CB -0.101 29.684 29.762 0.038 0.000 1.370 224 H HN 0.190 nan 8.280 nan 0.000 0.490 225 I N 0.528 121.093 120.570 -0.008 0.000 2.145 225 I HA -0.329 3.841 4.170 0.000 0.000 0.244 225 I C 2.743 178.853 176.117 -0.013 0.000 1.075 225 I CA 1.055 62.312 61.300 -0.071 0.000 1.332 225 I CB -0.297 37.676 38.000 -0.045 0.000 1.033 225 I HN 0.303 nan 8.210 nan 0.000 0.410 226 L N 0.204 121.434 121.223 0.012 0.000 1.994 226 L HA -0.282 4.058 4.340 0.000 0.000 0.208 226 L C 2.516 179.424 176.870 0.063 0.000 1.071 226 L CA 1.955 56.808 54.840 0.022 0.000 0.745 226 L CB -0.977 41.085 42.059 0.005 0.000 0.892 226 L HN 0.243 nan 8.230 nan 0.000 0.431 227 Y N 0.102 120.419 120.300 0.028 0.000 2.145 227 Y HA -0.245 4.305 4.550 0.000 0.000 0.286 227 Y C 2.377 178.341 175.900 0.107 0.000 1.145 227 Y CA 2.094 60.262 58.100 0.113 0.000 1.148 227 Y CB -0.685 37.944 38.460 0.281 0.000 0.981 227 Y HN 0.277 nan 8.280 nan 0.000 0.507 228 A N -0.430 122.550 122.820 0.266 0.000 1.865 228 A HA -0.233 4.087 4.320 0.000 0.000 0.217 228 A C 2.243 179.840 177.584 0.020 0.000 1.191 228 A CA 2.613 54.730 52.037 0.133 0.000 0.623 228 A CB -1.490 17.486 19.000 -0.040 0.000 0.826 228 A HN 0.531 nan 8.150 nan 0.000 0.444 229 T N -0.203 114.353 114.554 0.004 0.000 2.652 229 T HA -0.186 4.164 4.350 0.000 0.000 0.267 229 T C 1.250 175.936 174.700 -0.022 0.000 1.039 229 T CA 1.599 63.704 62.100 0.009 0.000 1.153 229 T CB -0.468 68.404 68.868 0.008 0.000 0.863 229 T HN 0.626 nan 8.240 nan 0.000 0.428 230 N N 1.568 120.227 118.700 -0.069 0.000 2.678 230 N HA -0.261 4.479 4.740 0.000 0.000 0.249 230 N C -0.091 175.387 175.510 -0.054 0.000 1.119 230 N CA 0.963 53.954 53.050 -0.098 0.000 0.718 230 N CB -2.107 36.289 38.487 -0.152 0.000 1.060 230 N HN 0.709 nan 8.380 nan 0.000 0.552 231 N N -1.797 116.884 118.700 -0.031 0.000 2.746 231 N HA -0.214 4.526 4.740 0.000 0.000 0.250 231 N C 0.921 176.418 175.510 -0.022 0.000 1.055 231 N CA 1.182 54.218 53.050 -0.024 0.000 0.699 231 N CB -1.263 37.207 38.487 -0.028 0.000 0.919 231 N HN 0.957 nan 8.380 nan 0.000 0.548 232 G N 0.813 109.610 108.800 -0.004 0.000 2.383 232 G HA2 -0.356 3.604 3.960 0.000 0.000 0.229 232 G HA3 -0.356 3.604 3.960 0.000 0.000 0.229 232 G C 0.076 174.983 174.900 0.012 0.000 1.089 232 G CA 0.359 45.464 45.100 0.008 0.000 0.640 232 G HN 0.621 nan 8.290 nan 0.000 0.510 233 N N 2.068 120.756 118.700 -0.020 0.000 3.103 233 N HA 0.257 4.997 4.740 0.000 0.000 0.305 233 N C 0.673 176.174 175.510 -0.014 0.000 1.232 233 N CA -0.562 52.463 53.050 -0.041 0.000 1.190 233 N CB -0.315 38.138 38.487 -0.057 0.000 1.461 233 N HN 0.317 nan 8.380 nan 0.000 0.538 234 I N 1.950 122.548 120.570 0.046 0.000 2.906 234 I HA -0.133 4.037 4.170 0.000 0.000 0.302 234 I C 0.834 177.087 176.117 0.227 0.000 1.220 234 I CA 1.114 62.505 61.300 0.153 0.000 1.441 234 I CB -0.171 38.005 38.000 0.293 0.000 1.336 234 I HN 0.341 nan 8.210 nan 0.000 0.565 235 R N 3.850 124.467 120.500 0.195 0.000 2.599 235 R HA 0.405 4.745 4.340 0.000 0.000 0.295 235 R C -0.445 176.016 176.300 0.269 0.000 0.963 235 R CA -0.652 55.596 56.100 0.247 0.000 0.883 235 R CB 2.004 32.360 30.300 0.093 0.000 1.171 235 R HN 0.562 nan 8.270 nan 0.000 0.450 236 S N 1.370 117.207 115.700 0.228 0.000 2.528 236 S HA 0.586 5.056 4.470 0.000 0.000 0.277 236 S C -0.466 174.186 174.600 0.087 0.000 1.297 236 S CA -0.361 57.864 58.200 0.042 0.000 1.052 236 S CB 1.410 64.540 63.200 -0.117 0.000 0.917 236 S HN 0.697 nan 8.310 nan 0.000 0.492 237 A N 2.778 125.645 122.820 0.078 0.000 2.610 237 A HA 0.831 5.151 4.320 0.000 0.000 0.291 237 A C -1.353 176.319 177.584 0.147 0.000 1.086 237 A CA -0.672 51.418 52.037 0.089 0.000 0.677 237 A CB 1.103 20.236 19.000 0.221 0.000 1.278 237 A HN 0.796 nan 8.150 nan 0.000 0.414 238 I N 0.075 120.575 120.570 -0.115 0.000 2.865 238 I HA 0.763 4.933 4.170 0.000 0.000 0.302 238 I C -0.835 175.030 176.117 -0.420 0.000 1.140 238 I CA -0.238 60.940 61.300 -0.203 0.000 1.021 238 I CB 2.465 40.388 38.000 -0.128 0.000 1.233 238 I HN 0.746 nan 8.210 nan 0.000 0.427 239 T N 6.079 120.330 114.554 -0.505 0.000 2.847 239 T HA 0.536 4.886 4.350 0.000 0.000 0.291 239 T C -1.210 173.122 174.700 -0.614 0.000 0.998 239 T CA -0.403 61.359 62.100 -0.562 0.000 0.967 239 T CB 0.729 69.206 68.868 -0.651 0.000 0.954 239 T HN 0.295 nan 8.240 nan 0.000 0.441 240 V N 7.040 126.606 119.914 -0.579 0.000 2.364 240 V HA 0.505 4.625 4.120 0.000 0.000 0.272 240 V C -0.172 175.591 176.094 -0.552 0.000 1.036 240 V CA -0.582 61.426 62.300 -0.487 0.000 0.880 240 V CB -0.056 31.474 31.823 -0.487 0.000 0.991 240 V HN 0.769 nan 8.190 nan 0.000 0.460 241 F N 5.138 125.021 119.950 -0.111 0.000 2.375 241 F HA 0.515 5.042 4.527 0.000 0.000 0.317 241 F C -1.854 173.860 175.800 -0.145 0.000 1.124 241 F CA -2.545 55.339 58.000 -0.194 0.000 1.050 241 F CB 0.246 39.152 39.000 -0.156 0.000 1.314 241 F HN 0.291 nan 8.300 nan 0.000 0.511 242 P HA -0.020 nan 4.420 nan 0.000 0.262 242 P C -1.081 176.180 177.300 -0.064 0.000 1.182 242 P CA -0.022 62.941 63.100 -0.228 0.000 0.761 242 P CB 0.142 31.495 31.700 -0.578 0.000 0.795 243 Q N 3.236 122.941 119.800 -0.158 0.000 2.432 243 Q HA 0.066 4.406 4.340 0.000 0.000 0.264 243 Q C 0.186 176.055 176.000 -0.218 0.000 1.035 243 Q CA -0.530 54.962 55.803 -0.518 0.000 0.908 243 Q CB 0.653 28.812 28.738 -0.964 0.000 1.280 243 Q HN 0.335 nan 8.270 nan 0.000 0.455 244 R N 1.552 121.935 120.500 -0.195 0.000 2.538 244 R HA -0.030 4.310 4.340 0.000 0.000 0.282 244 R C 0.081 176.341 176.300 -0.068 0.000 1.009 244 R CA 0.794 56.859 56.100 -0.058 0.000 1.063 244 R CB 0.508 30.769 30.300 -0.064 0.000 0.945 244 R HN 0.949 nan 8.270 nan 0.000 0.414 245 S N 2.802 118.510 115.700 0.013 0.000 2.755 245 S HA -0.047 4.423 4.470 0.000 0.000 0.165 245 S C 0.999 175.599 174.600 -0.001 0.000 0.723 245 S CA 0.303 58.513 58.200 0.017 0.000 0.867 245 S CB -0.277 62.978 63.200 0.091 0.000 0.740 245 S HN 0.809 nan 8.310 nan 0.000 0.568 246 D N 0.351 120.748 120.400 -0.005 0.000 2.289 246 D HA 0.283 4.923 4.640 0.000 0.000 0.207 246 D C 1.528 177.784 176.300 -0.072 0.000 0.966 246 D CA 1.136 55.103 54.000 -0.056 0.000 0.868 246 D CB -0.615 40.118 40.800 -0.111 0.000 0.943 246 D HN 0.905 nan 8.370 nan 0.000 0.514 247 G N 0.228 108.988 108.800 -0.066 0.000 2.231 247 G HA2 -0.260 3.700 3.960 0.000 0.000 0.206 247 G HA3 -0.260 3.700 3.960 0.000 0.000 0.206 247 G C 0.871 175.730 174.900 -0.067 0.000 0.996 247 G CA 0.139 45.208 45.100 -0.052 0.000 0.645 247 G HN 0.404 nan 8.290 nan 0.000 0.498 248 K N 0.202 120.503 120.400 -0.164 0.000 2.399 248 K HA 0.266 4.586 4.320 0.000 0.000 0.204 248 K C 0.497 177.024 176.600 -0.122 0.000 1.023 248 K CA -0.209 55.976 56.287 -0.171 0.000 1.127 248 K CB 0.136 32.500 32.500 -0.228 0.000 0.856 248 K HN 0.374 nan 8.250 nan 0.000 0.514 249 H N -0.054 119.033 119.070 0.028 0.000 2.575 249 H HA 0.187 4.743 4.556 0.000 0.000 0.256 249 H C -0.923 174.438 175.328 0.054 0.000 1.162 249 H CA -0.743 55.321 56.048 0.027 0.000 0.969 249 H CB 0.091 29.888 29.762 0.059 0.000 1.796 249 H HN 0.069 nan 8.280 nan 0.000 0.607 250 D N 0.563 121.049 120.400 0.143 0.000 2.455 250 D HA 0.012 4.652 4.640 0.000 0.000 0.241 250 D C 0.026 176.385 176.300 0.098 0.000 1.138 250 D CA 0.419 54.511 54.000 0.152 0.000 0.877 250 D CB 0.499 41.353 40.800 0.089 0.000 1.187 250 D HN 0.010 nan 8.370 nan 0.000 0.451 251 F N 2.876 122.861 119.950 0.059 0.000 2.411 251 F HA 0.360 4.887 4.527 0.000 0.000 0.355 251 F C 0.939 176.766 175.800 0.044 0.000 1.117 251 F CA -0.262 57.754 58.000 0.027 0.000 1.139 251 F CB 0.727 39.742 39.000 0.026 0.000 1.120 251 F HN -0.122 nan 8.300 nan 0.000 0.493 252 R N 3.482 124.069 120.500 0.145 0.000 2.725 252 R HA 0.554 4.894 4.340 0.000 0.000 0.277 252 R C -1.721 174.719 176.300 0.233 0.000 0.987 252 R CA -1.178 55.027 56.100 0.175 0.000 0.901 252 R CB 2.259 32.656 30.300 0.161 0.000 1.207 252 R HN 0.467 nan 8.270 nan 0.000 0.463 253 L N 1.722 123.069 121.223 0.207 0.000 2.287 253 L HA 0.364 4.704 4.340 0.000 0.000 0.287 253 L C 0.536 177.597 176.870 0.318 0.000 1.022 253 L CA -0.136 54.842 54.840 0.231 0.000 0.814 253 L CB 0.940 43.076 42.059 0.127 0.000 1.217 253 L HN 0.580 nan 8.230 nan 0.000 0.420 254 W N 0.799 122.154 121.300 0.091 0.000 2.800 254 W HA 0.042 4.702 4.660 0.000 0.000 0.249 254 W C 0.510 177.064 176.519 0.058 0.000 1.294 254 W CA -0.493 56.979 57.345 0.212 0.000 1.402 254 W CB -0.981 28.724 29.460 0.408 0.000 1.126 254 W HN 0.490 nan 8.180 nan 0.000 0.652 255 N N -0.336 118.423 118.700 0.098 0.000 2.530 255 N HA 0.073 4.813 4.740 0.000 0.000 0.277 255 N C 1.363 176.724 175.510 -0.249 0.000 1.168 255 N CA 0.610 53.484 53.050 -0.292 0.000 0.979 255 N CB 1.096 39.537 38.487 -0.078 0.000 1.141 255 N HN -0.149 nan 8.380 nan 0.000 0.459 256 S N 1.236 116.734 115.700 -0.337 0.000 2.377 256 S HA -0.052 4.418 4.470 0.000 0.000 0.223 256 S C 0.397 174.908 174.600 -0.149 0.000 1.030 256 S CA 0.711 58.795 58.200 -0.192 0.000 0.970 256 S CB 0.034 63.144 63.200 -0.150 0.000 0.830 256 S HN 0.644 nan 8.310 nan 0.000 0.473 257 Q N -0.688 119.022 119.800 -0.150 0.000 2.413 257 Q HA 0.511 4.851 4.340 0.000 0.000 0.276 257 Q C -0.035 175.875 176.000 -0.150 0.000 1.099 257 Q CA -0.774 54.948 55.803 -0.135 0.000 0.814 257 Q CB 1.808 30.497 28.738 -0.081 0.000 1.379 257 Q HN 0.067 nan 8.270 nan 0.000 0.436 258 L N 1.138 122.275 121.223 -0.144 0.000 1.970 258 L HA -0.030 4.311 4.340 0.000 0.000 0.212 258 L C 0.461 177.223 176.870 -0.180 0.000 1.071 258 L CA 1.907 56.681 54.840 -0.110 0.000 0.751 258 L CB 0.031 42.039 42.059 -0.085 0.000 0.889 258 L HN 0.547 nan 8.230 nan 0.000 0.432 259 I N -0.834 119.536 120.570 -0.332 0.000 2.354 259 I HA 0.376 4.547 4.170 0.000 0.000 0.292 259 I C -0.076 175.447 176.117 -0.991 0.000 0.989 259 I CA -0.467 60.480 61.300 -0.588 0.000 1.188 259 I CB 1.494 39.108 38.000 -0.643 0.000 1.342 259 I HN 0.108 nan 8.210 nan 0.000 0.457 260 R N 4.666 124.702 120.500 -0.773 0.000 2.634 260 R HA 0.416 4.756 4.340 0.000 0.000 0.263 260 R C -1.896 174.217 176.300 -0.312 0.000 1.060 260 R CA -0.631 55.116 56.100 -0.589 0.000 0.898 260 R CB 1.319 31.494 30.300 -0.208 0.000 1.253 260 R HN 0.303 nan 8.270 nan 0.000 0.461 261 Y N 1.257 121.597 120.300 0.066 0.000 2.307 261 Y HA 0.575 5.125 4.550 0.000 0.000 0.324 261 Y C 0.844 176.763 175.900 0.031 0.000 1.238 261 Y CA -0.187 57.969 58.100 0.094 0.000 1.280 261 Y CB 1.275 39.868 38.460 0.222 0.000 1.248 261 Y HN 0.720 nan 8.280 nan 0.000 0.508 262 A N 0.962 123.868 122.820 0.143 0.000 2.322 262 A HA 0.688 5.008 4.320 0.000 0.000 0.269 262 A C 0.356 177.743 177.584 -0.329 0.000 1.094 262 A CA 0.112 52.047 52.037 -0.169 0.000 0.807 262 A CB -0.046 18.791 19.000 -0.271 0.000 1.047 262 A HN 0.921 nan 8.150 nan 0.000 0.487 263 G N 0.477 109.017 108.800 -0.435 0.000 2.702 263 G HA2 0.573 4.533 3.960 0.000 0.000 0.295 263 G HA3 0.573 4.533 3.960 0.000 0.000 0.295 263 G C -1.201 173.485 174.900 -0.357 0.000 1.446 263 G CA -0.270 44.626 45.100 -0.340 0.000 0.983 263 G HN 0.529 nan 8.290 nan 0.000 0.520 264 Y N 0.265 120.613 120.300 0.080 0.000 2.446 264 Y HA 0.555 5.105 4.550 0.000 0.000 0.338 264 Y C 0.484 176.442 175.900 0.096 0.000 1.055 264 Y CA -1.174 57.002 58.100 0.127 0.000 1.101 264 Y CB 2.003 40.615 38.460 0.253 0.000 1.221 264 Y HN 0.490 nan 8.280 nan 0.000 0.460 265 Q N 3.289 123.234 119.800 0.242 0.000 2.314 265 Q HA 0.310 4.650 4.340 0.000 0.000 0.257 265 Q C -0.722 175.359 176.000 0.135 0.000 0.975 265 Q CA -0.544 55.345 55.803 0.143 0.000 0.933 265 Q CB 0.569 29.364 28.738 0.095 0.000 1.195 265 Q HN 0.598 nan 8.270 nan 0.000 0.426 266 M N 5.317 124.974 119.600 0.094 0.000 2.228 266 M HA 0.143 4.623 4.480 0.000 0.000 0.326 266 M C -1.387 174.909 176.300 -0.006 0.000 1.122 266 M CA -1.918 53.401 55.300 0.031 0.000 1.161 266 M CB 0.237 32.852 32.600 0.024 0.000 1.437 266 M HN 0.573 nan 8.290 nan 0.000 0.465 267 P HA -0.195 nan 4.420 nan 0.000 0.216 267 P C 0.357 177.642 177.300 -0.026 0.000 1.153 267 P CA 1.590 64.661 63.100 -0.048 0.000 0.858 267 P CB -0.342 31.311 31.700 -0.078 0.000 0.789 268 D N -1.188 119.199 120.400 -0.022 0.000 2.355 268 D HA 0.024 4.664 4.640 0.000 0.000 0.253 268 D C 1.412 177.712 176.300 -0.000 0.000 1.187 268 D CA 0.832 54.825 54.000 -0.012 0.000 0.900 268 D CB -0.732 40.061 40.800 -0.012 0.000 0.915 268 D HN 0.332 nan 8.370 nan 0.000 0.516 269 G N 0.788 109.591 108.800 0.004 0.000 2.299 269 G HA2 -0.368 3.592 3.960 0.000 0.000 0.237 269 G HA3 -0.368 3.592 3.960 0.000 0.000 0.237 269 G C 0.829 175.741 174.900 0.020 0.000 1.027 269 G CA 0.643 45.750 45.100 0.012 0.000 0.619 269 G HN 0.679 nan 8.290 nan 0.000 0.513 270 T N -0.609 113.957 114.554 0.019 0.000 2.887 270 T HA 0.622 4.972 4.350 0.000 0.000 0.371 270 T C 0.525 175.245 174.700 0.034 0.000 1.126 270 T CA 0.577 62.691 62.100 0.024 0.000 1.043 270 T CB 1.054 69.934 68.868 0.021 0.000 1.362 270 T HN 0.934 nan 8.240 nan 0.000 0.525 271 I N -0.227 120.361 120.570 0.031 0.000 2.680 271 I HA 0.409 4.580 4.170 0.000 0.000 0.291 271 I C -0.256 175.871 176.117 0.016 0.000 1.244 271 I CA -0.840 60.482 61.300 0.037 0.000 1.042 271 I CB 2.438 40.445 38.000 0.012 0.000 1.277 271 I HN 0.542 nan 8.210 nan 0.000 0.423 272 R N 2.645 123.183 120.500 0.064 0.000 2.732 272 R HA 0.790 5.130 4.340 0.000 0.000 0.278 272 R C 0.506 176.771 176.300 -0.058 0.000 0.976 272 R CA 0.273 56.393 56.100 0.032 0.000 0.963 272 R CB 1.955 32.337 30.300 0.138 0.000 1.150 272 R HN 0.922 nan 8.270 nan 0.000 0.478 273 G N 1.596 110.260 108.800 -0.227 0.000 2.527 273 G HA2 -0.277 3.683 3.960 0.000 0.000 0.262 273 G HA3 -0.277 3.683 3.960 0.000 0.000 0.262 273 G C -0.864 173.542 174.900 -0.824 0.000 1.153 273 G CA 0.179 45.058 45.100 -0.368 0.000 0.954 273 G HN 0.588 nan 8.290 nan 0.000 0.552 274 D N 1.765 121.968 120.400 -0.328 0.000 2.427 274 D HA 0.648 5.288 4.640 0.000 0.000 0.226 274 D C 1.351 177.601 176.300 -0.083 0.000 1.076 274 D CA 0.620 54.525 54.000 -0.159 0.000 0.849 274 D CB 0.834 41.815 40.800 0.302 0.000 1.052 274 D HN 0.872 nan 8.370 nan 0.000 0.515 275 A N 3.469 126.226 122.820 -0.105 0.000 2.131 275 A HA -0.073 4.247 4.320 0.000 0.000 0.220 275 A C 1.981 179.582 177.584 0.030 0.000 1.158 275 A CA 1.724 53.743 52.037 -0.030 0.000 0.665 275 A CB -0.151 18.839 19.000 -0.018 0.000 0.795 275 A HN 0.593 nan 8.150 nan 0.000 0.460 276 A N -0.340 122.523 122.820 0.071 0.000 1.968 276 A HA -0.008 4.312 4.320 0.000 0.000 0.217 276 A C 2.143 179.786 177.584 0.097 0.000 1.169 276 A CA 1.912 54.008 52.037 0.097 0.000 0.638 276 A CB -0.979 18.104 19.000 0.138 0.000 0.812 276 A HN 0.786 nan 8.150 nan 0.000 0.446 277 T N -2.165 112.447 114.554 0.096 0.000 3.272 277 T HA 0.346 4.696 4.350 0.000 0.000 0.250 277 T C 1.369 176.107 174.700 0.063 0.000 1.082 277 T CA 0.100 62.264 62.100 0.106 0.000 0.968 277 T CB -0.470 68.470 68.868 0.120 0.000 1.015 277 T HN 0.256 nan 8.240 nan 0.000 0.563 278 L N 0.854 122.099 121.223 0.036 0.000 1.944 278 L HA -0.119 4.221 4.340 0.000 0.000 0.218 278 L C 2.994 179.872 176.870 0.013 0.000 1.075 278 L CA 2.208 57.056 54.840 0.013 0.000 0.767 278 L CB -0.534 41.540 42.059 0.026 0.000 0.890 278 L HN 0.391 nan 8.230 nan 0.000 0.434 279 E N -0.472 119.745 120.200 0.028 0.000 2.130 279 E HA -0.301 4.049 4.350 0.000 0.000 0.196 279 E C 2.136 178.686 176.600 -0.084 0.000 0.998 279 E CA 1.681 58.072 56.400 -0.015 0.000 0.806 279 E CB -0.115 29.595 29.700 0.017 0.000 0.738 279 E HN 0.390 nan 8.360 nan 0.000 0.459 280 F N 1.088 120.916 119.950 -0.204 0.000 2.163 280 F HA -0.085 4.442 4.527 0.000 0.000 0.297 280 F C 2.341 178.022 175.800 -0.199 0.000 1.094 280 F CA 1.673 59.507 58.000 -0.277 0.000 1.290 280 F CB -0.536 38.352 39.000 -0.186 0.000 1.017 280 F HN -0.077 nan 8.300 nan 0.000 0.483 281 T N -0.146 114.289 114.554 -0.197 0.000 2.803 281 T HA -0.258 4.092 4.350 0.000 0.000 0.269 281 T C 1.753 176.347 174.700 -0.177 0.000 1.052 281 T CA 1.647 63.590 62.100 -0.261 0.000 1.136 281 T CB -0.303 68.460 68.868 -0.175 0.000 0.864 281 T HN 0.276 nan 8.240 nan 0.000 0.467 282 Q N 0.580 120.302 119.800 -0.130 0.000 2.167 282 Q HA 0.008 4.348 4.340 0.000 0.000 0.202 282 Q C 2.029 177.944 176.000 -0.141 0.000 0.970 282 Q CA 1.105 56.863 55.803 -0.076 0.000 0.855 282 Q CB -0.589 28.121 28.738 -0.047 0.000 0.911 282 Q HN 0.430 nan 8.270 nan 0.000 0.438 283 L N -0.587 120.471 121.223 -0.275 0.000 2.056 283 L HA -0.109 4.231 4.340 0.000 0.000 0.207 283 L C 2.102 178.806 176.870 -0.277 0.000 1.078 283 L CA 1.538 56.212 54.840 -0.276 0.000 0.749 283 L CB -0.766 41.059 42.059 -0.389 0.000 0.901 283 L HN 0.375 nan 8.230 nan 0.000 0.433 284 C N -0.655 118.372 119.300 -0.454 0.000 2.429 284 C HA -0.149 4.311 4.460 0.000 0.000 0.277 284 C C 2.697 177.672 174.990 -0.025 0.000 1.262 284 C CA 0.818 59.629 59.018 -0.345 0.000 1.733 284 C CB -0.872 26.523 27.740 -0.573 0.000 2.010 284 C HN 0.589 nan 8.230 nan 0.000 0.483 285 I N 1.296 121.896 120.570 0.049 0.000 2.394 285 I HA -0.136 4.034 4.170 0.000 0.000 0.251 285 I C 1.617 177.745 176.117 0.018 0.000 1.136 285 I CA 1.865 63.232 61.300 0.111 0.000 1.425 285 I CB -0.722 37.355 38.000 0.128 0.000 1.079 285 I HN 0.335 nan 8.210 nan 0.000 0.425 286 D N 0.729 121.111 120.400 -0.030 0.000 2.264 286 D HA -0.064 4.576 4.640 0.000 0.000 0.208 286 D C 1.775 178.037 176.300 -0.063 0.000 0.966 286 D CA 0.853 54.821 54.000 -0.054 0.000 0.864 286 D CB 0.003 40.758 40.800 -0.075 0.000 0.933 286 D HN 0.385 nan 8.370 nan 0.000 0.499 287 L N -0.675 120.518 121.223 -0.051 0.000 2.685 287 L HA 0.300 4.640 4.340 0.000 0.000 0.233 287 L C 0.986 177.832 176.870 -0.040 0.000 1.173 287 L CA -0.057 54.753 54.840 -0.050 0.000 0.961 287 L CB 0.038 42.066 42.059 -0.051 0.000 1.217 287 L HN 0.009 nan 8.230 nan 0.000 0.478 288 G N -0.226 108.563 108.800 -0.019 0.000 2.171 288 G HA2 -0.293 3.667 3.960 0.000 0.000 0.238 288 G HA3 -0.293 3.667 3.960 0.000 0.000 0.238 288 G C -0.419 174.502 174.900 0.034 0.000 1.039 288 G CA -0.276 44.816 45.100 -0.014 0.000 0.759 288 G HN 0.413 nan 8.290 nan 0.000 0.501 289 W N 1.299 122.527 121.300 -0.121 0.000 2.316 289 W HA 0.682 5.342 4.660 0.000 0.000 0.321 289 W C 0.248 176.711 176.519 -0.092 0.000 1.203 289 W CA -1.346 55.931 57.345 -0.114 0.000 1.214 289 W CB 0.805 30.189 29.460 -0.127 0.000 1.169 289 W HN -0.034 nan 8.180 nan 0.000 0.561 290 K N 7.559 127.483 120.400 -0.795 0.000 2.262 290 K HA 0.145 4.465 4.320 0.000 0.000 0.288 290 K C -2.243 173.547 176.600 -1.349 0.000 1.090 290 K CA -1.522 54.287 56.287 -0.797 0.000 0.918 290 K CB 0.265 32.457 32.500 -0.514 0.000 1.139 290 K HN 0.310 nan 8.250 nan 0.000 0.462 291 P HA 0.103 nan 4.420 nan 0.000 0.269 291 P C 0.087 176.831 177.300 -0.927 0.000 1.263 291 P CA -0.052 62.388 63.100 -1.100 0.000 0.813 291 P CB 0.362 31.518 31.700 -0.907 0.000 0.868 292 R N 2.778 122.881 120.500 -0.663 0.000 2.404 292 R HA 0.009 4.349 4.340 0.000 0.000 0.236 292 R C 0.159 176.297 176.300 -0.270 0.000 1.044 292 R CA -0.433 55.474 56.100 -0.322 0.000 1.133 292 R CB -0.822 29.409 30.300 -0.114 0.000 1.142 292 R HN 0.376 nan 8.270 nan 0.000 0.512 293 Y N -1.557 118.381 120.300 -0.604 0.000 3.000 293 Y HA -0.332 4.218 4.550 0.000 0.000 0.221 293 Y C 1.116 176.816 175.900 -0.332 0.000 1.108 293 Y CA 0.773 58.344 58.100 -0.882 0.000 1.151 293 Y CB -1.677 36.428 38.460 -0.592 0.000 1.193 293 Y HN 0.286 nan 8.280 nan 0.000 0.596 294 G N -0.545 108.307 108.800 0.086 0.000 2.702 294 G HA2 0.521 4.481 3.960 0.000 0.000 0.254 294 G HA3 0.521 4.481 3.960 0.000 0.000 0.254 294 G C 0.719 175.754 174.900 0.225 0.000 1.380 294 G CA -0.769 44.433 45.100 0.170 0.000 1.042 294 G HN 0.275 nan 8.290 nan 0.000 0.557 295 R N -1.672 118.858 120.500 0.050 0.000 2.335 295 R HA 0.238 4.578 4.340 0.000 0.000 0.210 295 R C -0.249 175.715 176.300 -0.559 0.000 0.892 295 R CA 0.227 56.201 56.100 -0.210 0.000 1.048 295 R CB 0.338 30.441 30.300 -0.328 0.000 1.067 295 R HN 0.323 nan 8.270 nan 0.000 0.524 296 F N 0.728 120.634 119.950 -0.074 0.000 2.619 296 F HA 0.252 4.779 4.527 0.000 0.000 0.382 296 F C -0.798 174.959 175.800 -0.071 0.000 1.466 296 F CA -1.186 56.489 58.000 -0.541 0.000 1.137 296 F CB 0.721 39.349 39.000 -0.620 0.000 1.205 296 F HN -0.280 nan 8.300 nan 0.000 0.525 297 D N 1.729 122.312 120.400 0.305 0.000 2.393 297 D HA 0.162 4.802 4.640 0.000 0.000 0.232 297 D C 0.252 176.833 176.300 0.468 0.000 1.192 297 D CA 0.117 54.371 54.000 0.424 0.000 0.882 297 D CB 1.811 42.916 40.800 0.509 0.000 1.038 297 D HN -0.075 nan 8.370 nan 0.000 0.499 298 V N 4.125 124.301 119.914 0.438 0.000 2.452 298 V HA -0.092 4.028 4.120 0.000 0.000 0.286 298 V C 1.209 177.362 176.094 0.098 0.000 0.995 298 V CA 0.045 62.479 62.300 0.223 0.000 1.116 298 V CB -0.399 31.510 31.823 0.143 0.000 0.954 298 V HN 0.352 nan 8.190 nan 0.000 0.473 299 L N 8.576 129.742 121.223 -0.096 0.000 2.479 299 L HA 0.271 4.611 4.340 0.000 0.000 0.270 299 L C -1.590 175.078 176.870 -0.337 0.000 1.236 299 L CA -1.093 53.495 54.840 -0.420 0.000 0.823 299 L CB 0.420 42.297 42.059 -0.304 0.000 1.098 299 L HN 0.473 nan 8.230 nan 0.000 0.500 300 P HA 0.152 nan 4.420 nan 0.000 0.284 300 P C -1.082 176.177 177.300 -0.069 0.000 1.258 300 P CA -0.736 62.208 63.100 -0.260 0.000 0.824 300 P CB 1.248 32.710 31.700 -0.397 0.000 1.038 301 L N 2.406 123.667 121.223 0.064 0.000 2.410 301 L HA 0.115 4.455 4.340 0.000 0.000 0.273 301 L C 0.214 177.183 176.870 0.164 0.000 1.144 301 L CA 0.000 54.935 54.840 0.158 0.000 0.863 301 L CB 0.243 42.452 42.059 0.250 0.000 1.140 301 L HN 0.122 nan 8.230 nan 0.000 0.463 302 V N 6.249 126.276 119.914 0.188 0.000 2.284 302 V HA 0.289 4.409 4.120 0.000 0.000 0.274 302 V C -0.182 175.954 176.094 0.070 0.000 1.023 302 V CA -0.764 61.598 62.300 0.102 0.000 0.808 302 V CB 1.257 33.188 31.823 0.181 0.000 1.035 302 V HN 0.353 nan 8.190 nan 0.000 0.445 303 L N 4.213 125.469 121.223 0.055 0.000 2.289 303 L HA 0.518 4.858 4.340 0.000 0.000 0.285 303 L C 0.117 176.896 176.870 -0.151 0.000 1.049 303 L CA 0.186 55.034 54.840 0.014 0.000 0.804 303 L CB 1.323 43.438 42.059 0.094 0.000 1.195 303 L HN 0.669 nan 8.230 nan 0.000 0.428 304 Q N 2.638 122.350 119.800 -0.145 0.000 2.368 304 Q HA 0.751 5.091 4.340 0.000 0.000 0.263 304 Q C -1.269 174.562 176.000 -0.282 0.000 1.009 304 Q CA -0.586 55.084 55.803 -0.222 0.000 0.818 304 Q CB 1.580 30.292 28.738 -0.045 0.000 1.239 304 Q HN 0.787 nan 8.270 nan 0.000 0.464 305 A N 3.938 126.518 122.820 -0.401 0.000 2.337 305 A HA 0.561 4.881 4.320 0.000 0.000 0.329 305 A C -0.076 176.981 177.584 -0.878 0.000 1.146 305 A CA 0.028 51.567 52.037 -0.831 0.000 0.800 305 A CB 1.125 19.853 19.000 -0.453 0.000 1.220 305 A HN 1.072 nan 8.150 nan 0.000 0.472 306 D N 0.979 120.450 120.400 -1.548 0.000 3.608 306 D HA -0.253 4.387 4.640 0.000 0.000 0.152 306 D C 1.398 177.553 176.300 -0.242 0.000 0.971 306 D CA 3.324 56.966 54.000 -0.596 0.000 1.072 306 D CB -1.194 39.423 40.800 -0.305 0.000 0.507 306 D HN 0.911 nan 8.370 nan 0.000 0.520 307 G N -1.147 107.628 108.800 -0.041 0.000 2.662 307 G HA2 0.124 4.084 3.960 0.000 0.000 0.212 307 G HA3 0.124 4.084 3.960 0.000 0.000 0.212 307 G C 0.322 175.251 174.900 0.048 0.000 1.141 307 G CA 0.677 45.837 45.100 0.099 0.000 0.797 307 G HN 0.462 nan 8.290 nan 0.000 0.531 308 Q N 1.051 120.830 119.800 -0.035 0.000 2.469 308 Q HA 0.069 4.409 4.340 0.000 0.000 0.317 308 Q C -0.151 175.806 176.000 -0.072 0.000 1.224 308 Q CA 0.574 56.355 55.803 -0.037 0.000 1.014 308 Q CB 0.361 29.049 28.738 -0.084 0.000 1.297 308 Q HN 0.193 nan 8.270 nan 0.000 0.456 309 D N 1.424 121.798 120.400 -0.043 0.000 2.362 309 D HA 0.150 4.790 4.640 0.000 0.000 0.242 309 D C -2.173 173.914 176.300 -0.356 0.000 1.132 309 D CA -1.106 52.800 54.000 -0.156 0.000 0.907 309 D CB 0.154 40.994 40.800 0.067 0.000 1.195 309 D HN 0.288 nan 8.370 nan 0.000 0.429 310 P HA 0.170 nan 4.420 nan 0.000 0.280 310 P C -0.737 176.346 177.300 -0.362 0.000 1.244 310 P CA -0.243 62.457 63.100 -0.667 0.000 0.784 310 P CB 1.140 32.006 31.700 -1.389 0.000 0.913 311 E N 0.920 120.972 120.200 -0.246 0.000 2.191 311 E HA 0.380 4.730 4.350 0.000 0.000 0.274 311 E C -0.600 175.798 176.600 -0.337 0.000 0.948 311 E CA -1.166 55.069 56.400 -0.275 0.000 0.802 311 E CB 1.845 31.397 29.700 -0.246 0.000 1.137 311 E HN 0.186 nan 8.360 nan 0.000 0.397 312 V N 3.529 123.162 119.914 -0.469 0.000 2.439 312 V HA 0.344 4.464 4.120 0.000 0.000 0.282 312 V C -0.682 175.003 176.094 -0.681 0.000 1.039 312 V CA -0.334 61.741 62.300 -0.375 0.000 0.913 312 V CB 0.044 31.735 31.823 -0.219 0.000 0.983 312 V HN 0.492 nan 8.190 nan 0.000 0.460 313 F N 1.930 121.744 119.950 -0.226 0.000 2.529 313 F HA 0.486 5.013 4.527 0.000 0.000 0.320 313 F C 0.186 175.825 175.800 -0.268 0.000 1.118 313 F CA -0.792 56.951 58.000 -0.428 0.000 0.915 313 F CB 1.877 40.344 39.000 -0.889 0.000 1.161 313 F HN 0.436 nan 8.300 nan 0.000 0.445 314 E N 2.928 123.102 120.200 -0.043 0.000 2.289 314 E HA 0.395 4.745 4.350 0.000 0.000 0.278 314 E C -0.712 175.992 176.600 0.173 0.000 1.032 314 E CA -0.250 56.208 56.400 0.097 0.000 0.854 314 E CB 0.708 30.482 29.700 0.124 0.000 1.046 314 E HN 0.446 nan 8.360 nan 0.000 0.409 315 I N 6.776 127.467 120.570 0.201 0.000 2.396 315 I HA 0.164 4.334 4.170 0.000 0.000 0.289 315 I C -1.918 174.322 176.117 0.205 0.000 1.056 315 I CA -2.060 59.390 61.300 0.250 0.000 1.365 315 I CB 0.732 38.822 38.000 0.150 0.000 1.407 315 I HN 0.406 nan 8.210 nan 0.000 0.509 316 P HA 0.036 nan 4.420 nan 0.000 0.258 316 P C -1.967 175.398 177.300 0.108 0.000 1.187 316 P CA -0.700 62.496 63.100 0.159 0.000 0.767 316 P CB 0.198 31.984 31.700 0.144 0.000 0.770 317 P HA -0.227 nan 4.420 nan 0.000 0.217 317 P C 0.834 178.172 177.300 0.063 0.000 1.148 317 P CA 1.450 64.601 63.100 0.085 0.000 0.834 317 P CB -0.048 31.702 31.700 0.085 0.000 0.783 318 D N -0.902 119.531 120.400 0.055 0.000 2.218 318 D HA -0.105 4.535 4.640 0.000 0.000 0.204 318 D C 1.890 178.208 176.300 0.029 0.000 0.976 318 D CA 0.975 54.997 54.000 0.037 0.000 0.853 318 D CB -0.221 40.598 40.800 0.032 0.000 0.939 318 D HN 0.268 nan 8.370 nan 0.000 0.481 319 L N 0.859 122.101 121.223 0.033 0.000 2.179 319 L HA -0.026 4.314 4.340 0.000 0.000 0.208 319 L C 0.850 177.731 176.870 0.018 0.000 1.096 319 L CA 0.299 55.151 54.840 0.019 0.000 0.779 319 L CB 0.088 42.156 42.059 0.015 0.000 0.922 319 L HN -0.191 nan 8.230 nan 0.000 0.443 320 V N 2.490 122.422 119.914 0.029 0.000 2.397 320 V HA 0.047 4.167 4.120 0.000 0.000 0.262 320 V C 0.028 176.145 176.094 0.038 0.000 1.047 320 V CA -0.249 62.067 62.300 0.027 0.000 1.003 320 V CB 0.704 32.549 31.823 0.037 0.000 1.037 320 V HN 0.056 nan 8.190 nan 0.000 0.480 321 L N 6.379 127.625 121.223 0.040 0.000 2.275 321 L HA 0.573 4.913 4.340 0.000 0.000 0.288 321 L C 0.033 176.929 176.870 0.043 0.000 1.046 321 L CA 0.428 55.285 54.840 0.029 0.000 0.805 321 L CB 0.974 43.045 42.059 0.019 0.000 1.193 321 L HN 0.689 nan 8.230 nan 0.000 0.426 322 E N 3.161 123.363 120.200 0.004 0.000 2.316 322 E HA 0.702 5.052 4.350 0.000 0.000 0.258 322 E C -1.467 175.048 176.600 -0.142 0.000 0.952 322 E CA -1.107 55.281 56.400 -0.020 0.000 0.818 322 E CB 2.449 32.157 29.700 0.013 0.000 1.260 322 E HN 0.387 nan 8.360 nan 0.000 0.416 323 V N 1.457 121.247 119.914 -0.207 0.000 2.525 323 V HA 0.251 4.371 4.120 0.000 0.000 0.299 323 V C -0.363 175.628 176.094 -0.173 0.000 1.034 323 V CA -0.843 61.263 62.300 -0.324 0.000 0.863 323 V CB 1.670 32.998 31.823 -0.826 0.000 0.999 323 V HN 0.846 nan 8.190 nan 0.000 0.423 324 T N 3.465 117.940 114.554 -0.132 0.000 2.889 324 T HA 0.610 4.960 4.350 0.000 0.000 0.291 324 T C -0.126 174.572 174.700 -0.004 0.000 0.995 324 T CA -0.802 61.247 62.100 -0.084 0.000 1.092 324 T CB 1.050 69.871 68.868 -0.079 0.000 0.954 324 T HN 0.311 nan 8.240 nan 0.000 0.506 325 M N 3.442 123.079 119.600 0.061 0.000 2.211 325 M HA 0.375 4.855 4.480 0.000 0.000 0.356 325 M C 0.285 176.751 176.300 0.278 0.000 1.216 325 M CA -0.199 55.230 55.300 0.215 0.000 1.134 325 M CB 0.103 32.926 32.600 0.371 0.000 1.564 325 M HN 0.982 nan 8.290 nan 0.000 0.463 326 E N 1.266 121.660 120.200 0.324 0.000 2.347 326 E HA 0.305 4.655 4.350 0.000 0.000 0.285 326 E C -1.338 175.418 176.600 0.259 0.000 0.925 326 E CA -0.798 55.799 56.400 0.327 0.000 0.779 326 E CB 1.404 31.230 29.700 0.210 0.000 1.233 326 E HN 0.585 nan 8.360 nan 0.000 0.414 327 H N 4.286 123.343 119.070 -0.021 0.000 2.580 327 H HA 0.193 4.749 4.556 0.000 0.000 0.322 327 H C -1.664 173.503 175.328 -0.268 0.000 1.082 327 H CA -2.047 53.837 56.048 -0.272 0.000 1.383 327 H CB 1.645 31.130 29.762 -0.461 0.000 1.450 327 H HN 0.458 nan 8.280 nan 0.000 0.505 328 P HA 0.043 nan 4.420 nan 0.000 0.263 328 P C 0.221 177.522 177.300 0.002 0.000 1.386 328 P CA 0.551 63.461 63.100 -0.316 0.000 0.797 328 P CB 0.542 31.849 31.700 -0.655 0.000 1.381 329 K N -1.561 118.902 120.400 0.106 0.000 3.105 329 K HA 0.143 4.463 4.320 0.000 0.000 0.209 329 K C -0.208 176.377 176.600 -0.024 0.000 1.828 329 K CA 0.096 56.403 56.287 0.032 0.000 1.382 329 K CB 0.138 32.688 32.500 0.083 0.000 2.153 329 K HN -0.226 nan 8.250 nan 0.000 0.588 330 Y N 3.509 123.543 120.300 -0.444 0.000 2.594 330 Y HA 0.139 4.689 4.550 0.000 0.000 0.344 330 Y C 0.416 176.071 175.900 -0.409 0.000 1.185 330 Y CA -0.003 57.837 58.100 -0.434 0.000 1.565 330 Y CB 0.031 38.029 38.460 -0.771 0.000 1.415 330 Y HN 0.216 nan 8.280 nan 0.000 0.488 331 E N 2.150 122.343 120.200 -0.012 0.000 2.401 331 E HA -0.173 4.177 4.350 0.000 0.000 0.199 331 E C 1.234 177.890 176.600 0.094 0.000 1.023 331 E CA 0.872 57.301 56.400 0.048 0.000 0.859 331 E CB -0.045 29.706 29.700 0.085 0.000 0.780 331 E HN 0.855 nan 8.360 nan 0.000 0.523 332 W N -0.506 120.894 121.300 0.166 0.000 2.905 332 W HA 0.036 4.696 4.660 0.000 0.000 0.251 332 W C 1.265 177.888 176.519 0.172 0.000 1.305 332 W CA -0.309 57.118 57.345 0.137 0.000 1.465 332 W CB -0.821 28.708 29.460 0.115 0.000 1.122 332 W HN -0.041 nan 8.180 nan 0.000 0.659 333 F N 3.526 123.098 119.950 -0.630 0.000 2.069 333 F HA -0.298 4.229 4.527 0.000 0.000 0.298 333 F C 2.866 178.582 175.800 -0.139 0.000 1.113 333 F CA 3.325 60.992 58.000 -0.556 0.000 1.214 333 F CB -0.630 38.029 39.000 -0.569 0.000 0.978 333 F HN 0.018 nan 8.300 nan 0.000 0.474 334 Q N -0.141 119.659 119.800 -0.000 0.000 2.234 334 Q HA -0.225 4.115 4.340 0.000 0.000 0.206 334 Q C 1.385 177.355 176.000 -0.050 0.000 0.980 334 Q CA 1.945 57.733 55.803 -0.026 0.000 0.869 334 Q CB -0.958 27.811 28.738 0.052 0.000 0.912 334 Q HN 0.526 nan 8.270 nan 0.000 0.436 335 E N 0.291 120.496 120.200 0.009 0.000 2.515 335 E HA -0.072 4.278 4.350 0.000 0.000 0.201 335 E C 0.947 177.553 176.600 0.009 0.000 1.071 335 E CA 0.078 56.504 56.400 0.043 0.000 0.880 335 E CB 0.082 29.853 29.700 0.118 0.000 0.828 335 E HN 0.285 nan 8.360 nan 0.000 0.540 336 L N -0.389 120.772 121.223 -0.103 0.000 2.341 336 L HA 0.114 4.454 4.340 0.000 0.000 0.214 336 L C 1.366 178.185 176.870 -0.086 0.000 1.115 336 L CA 0.992 55.747 54.840 -0.141 0.000 0.820 336 L CB -0.270 41.545 42.059 -0.407 0.000 0.944 336 L HN 0.215 nan 8.230 nan 0.000 0.452 337 G N 0.355 109.110 108.800 -0.075 0.000 2.298 337 G HA2 -0.241 3.719 3.960 0.000 0.000 0.287 337 G HA3 -0.241 3.719 3.960 0.000 0.000 0.287 337 G C -0.300 174.639 174.900 0.065 0.000 1.075 337 G CA -0.030 45.074 45.100 0.006 0.000 0.960 337 G HN 0.101 nan 8.290 nan 0.000 0.502 338 L N -0.036 121.140 121.223 -0.079 0.000 2.334 338 L HA 0.934 5.274 4.340 0.000 0.000 0.273 338 L C 0.333 177.066 176.870 -0.228 0.000 1.013 338 L CA -0.615 54.169 54.840 -0.093 0.000 0.816 338 L CB 1.825 43.712 42.059 -0.287 0.000 1.278 338 L HN 0.644 nan 8.230 nan 0.000 0.431 339 K N 1.271 121.383 120.400 -0.480 0.000 2.571 339 K HA 0.583 4.903 4.320 0.000 0.000 0.289 339 K C -1.889 174.702 176.600 -0.016 0.000 1.028 339 K CA -1.010 55.079 56.287 -0.330 0.000 0.895 339 K CB 1.936 34.113 32.500 -0.538 0.000 1.534 339 K HN 0.482 nan 8.250 nan 0.000 0.421 340 W N 1.839 123.087 121.300 -0.086 0.000 3.363 340 W HA 0.305 4.965 4.660 0.000 0.000 0.306 340 W C -1.337 175.189 176.519 0.012 0.000 1.253 340 W CA -0.805 56.544 57.345 0.007 0.000 1.195 340 W CB 1.501 30.831 29.460 -0.216 0.000 1.366 340 W HN 0.694 nan 8.180 nan 0.000 0.551 341 Y N 1.343 121.465 120.300 -0.297 0.000 2.497 341 Y HA 0.445 4.995 4.550 0.000 0.000 0.334 341 Y C 0.844 176.924 175.900 0.300 0.000 1.199 341 Y CA 0.311 58.363 58.100 -0.079 0.000 1.425 341 Y CB 0.216 38.511 38.460 -0.275 0.000 1.291 341 Y HN 0.358 nan 8.280 nan 0.000 0.562 342 A N 3.216 126.278 122.820 0.403 0.000 2.235 342 A HA 0.170 4.490 4.320 0.000 0.000 0.208 342 A C 0.072 178.004 177.584 0.579 0.000 1.172 342 A CA 0.124 52.476 52.037 0.526 0.000 0.786 342 A CB -0.427 18.717 19.000 0.240 0.000 0.804 342 A HN 0.653 nan 8.150 nan 0.000 0.479 343 L N 1.319 122.870 121.223 0.547 0.000 2.342 343 L HA 0.449 4.789 4.340 0.000 0.000 0.276 343 L C -2.667 174.342 176.870 0.232 0.000 0.997 343 L CA -2.059 52.961 54.840 0.300 0.000 0.838 343 L CB 2.202 44.332 42.059 0.118 0.000 1.224 343 L HN -0.089 nan 8.230 nan 0.000 0.416 344 P HA 0.394 nan 4.420 nan 0.000 0.284 344 P C -1.403 175.786 177.300 -0.184 0.000 1.432 344 P CA -0.283 62.623 63.100 -0.323 0.000 0.929 344 P CB 1.286 32.420 31.700 -0.942 0.000 1.158 345 A N 4.335 127.080 122.820 -0.125 0.000 2.375 345 A HA 0.453 4.773 4.320 0.000 0.000 0.291 345 A C -0.357 177.086 177.584 -0.236 0.000 1.160 345 A CA -0.673 51.258 52.037 -0.176 0.000 0.747 345 A CB 1.121 20.031 19.000 -0.150 0.000 1.170 345 A HN 0.273 nan 8.150 nan 0.000 0.458 346 V N 2.499 122.162 119.914 -0.417 0.000 2.470 346 V HA 0.365 4.485 4.120 0.000 0.000 0.276 346 V C 1.242 176.972 176.094 -0.608 0.000 1.040 346 V CA 0.929 62.907 62.300 -0.537 0.000 1.008 346 V CB 0.841 32.199 31.823 -0.775 0.000 0.990 346 V HN 1.091 nan 8.190 nan 0.000 0.477 347 A N 4.268 126.885 122.820 -0.338 0.000 2.108 347 A HA 0.079 4.399 4.320 0.000 0.000 0.206 347 A C 1.415 178.908 177.584 -0.151 0.000 1.212 347 A CA 0.518 52.424 52.037 -0.218 0.000 0.843 347 A CB -0.156 18.778 19.000 -0.110 0.000 0.902 347 A HN 0.910 nan 8.150 nan 0.000 0.477 348 N N -1.068 117.546 118.700 -0.144 0.000 2.295 348 N HA 0.273 5.013 4.740 0.000 0.000 0.221 348 N C 0.107 175.608 175.510 -0.015 0.000 1.129 348 N CA -0.190 52.815 53.050 -0.076 0.000 0.836 348 N CB 0.092 38.518 38.487 -0.101 0.000 1.040 348 N HN 0.334 nan 8.380 nan 0.000 0.494 349 M N 1.230 120.817 119.600 -0.022 0.000 2.444 349 M HA 0.346 4.826 4.480 0.000 0.000 0.319 349 M C -0.661 175.767 176.300 0.214 0.000 1.183 349 M CA -0.889 54.490 55.300 0.131 0.000 1.032 349 M CB 2.372 35.085 32.600 0.188 0.000 1.569 349 M HN 0.154 nan 8.290 nan 0.000 0.468 350 L N 2.852 124.252 121.223 0.295 0.000 2.307 350 L HA 0.552 4.892 4.340 0.000 0.000 0.284 350 L C -1.444 175.682 176.870 0.427 0.000 1.023 350 L CA -0.986 54.046 54.840 0.320 0.000 0.810 350 L CB 1.290 43.494 42.059 0.241 0.000 1.231 350 L HN 0.597 nan 8.230 nan 0.000 0.423 351 L N 4.934 126.408 121.223 0.419 0.000 2.264 351 L HA 0.436 4.776 4.340 0.000 0.000 0.289 351 L C -0.323 176.736 176.870 0.315 0.000 1.044 351 L CA 0.239 55.291 54.840 0.353 0.000 0.807 351 L CB 1.275 43.500 42.059 0.277 0.000 1.192 351 L HN 0.752 nan 8.230 nan 0.000 0.425 352 E N 4.492 124.836 120.200 0.239 0.000 2.191 352 E HA 0.650 5.000 4.350 0.000 0.000 0.274 352 E C -1.802 174.835 176.600 0.063 0.000 0.948 352 E CA -0.821 55.688 56.400 0.182 0.000 0.802 352 E CB 1.983 31.828 29.700 0.242 0.000 1.137 352 E HN 0.556 nan 8.360 nan 0.000 0.397 353 V N 3.554 123.471 119.914 0.004 0.000 2.809 353 V HA 0.478 4.598 4.120 0.000 0.000 0.290 353 V C 0.016 176.005 176.094 -0.175 0.000 1.305 353 V CA 0.411 62.609 62.300 -0.169 0.000 0.939 353 V CB 1.133 32.746 31.823 -0.350 0.000 1.081 353 V HN 1.053 nan 8.190 nan 0.000 0.439 354 G N 4.466 113.221 108.800 -0.074 0.000 2.395 354 G HA2 0.124 4.084 3.960 0.000 0.000 0.300 354 G HA3 0.124 4.084 3.960 0.000 0.000 0.300 354 G C 1.671 176.741 174.900 0.284 0.000 0.998 354 G CA 1.518 46.734 45.100 0.192 0.000 1.046 354 G HN 2.794 nan 8.290 nan 0.000 0.513 355 G N -1.964 106.961 108.800 0.209 0.000 2.284 355 G HA2 -0.249 3.711 3.960 0.000 0.000 0.247 355 G HA3 -0.249 3.711 3.960 0.000 0.000 0.247 355 G C 0.586 175.543 174.900 0.096 0.000 1.012 355 G CA 0.614 45.869 45.100 0.257 0.000 0.618 355 G HN 1.310 nan 8.290 nan 0.000 0.521 356 L N 0.965 122.183 121.223 -0.008 0.000 2.416 356 L HA 0.723 5.063 4.340 0.000 0.000 0.262 356 L C 0.372 177.143 176.870 -0.164 0.000 1.093 356 L CA -0.718 54.014 54.840 -0.180 0.000 0.801 356 L CB 1.154 43.001 42.059 -0.354 0.000 1.191 356 L HN 0.484 nan 8.230 nan 0.000 0.459 357 E N 0.879 120.889 120.200 -0.317 0.000 2.304 357 E HA 0.431 4.781 4.350 0.000 0.000 0.277 357 E C -1.734 174.658 176.600 -0.346 0.000 0.898 357 E CA -0.618 55.678 56.400 -0.173 0.000 0.764 357 E CB 1.621 31.277 29.700 -0.072 0.000 1.216 357 E HN 0.208 nan 8.360 nan 0.000 0.419 358 F N 2.930 122.896 119.950 0.026 0.000 2.311 358 F HA 0.302 4.829 4.527 0.000 0.000 0.371 358 F C -1.578 174.283 175.800 0.102 0.000 1.083 358 F CA -2.436 55.594 58.000 0.051 0.000 1.113 358 F CB 1.560 40.579 39.000 0.031 0.000 1.349 358 F HN 0.362 nan 8.300 nan 0.000 0.470 359 P HA -0.005 nan 4.420 nan 0.000 0.237 359 P C -0.046 177.383 177.300 0.214 0.000 1.178 359 P CA 0.600 63.811 63.100 0.184 0.000 0.766 359 P CB 0.492 32.267 31.700 0.125 0.000 0.876 360 A N 0.338 123.333 122.820 0.292 0.000 2.411 360 A HA 0.544 4.864 4.320 0.000 0.000 0.285 360 A C -0.106 177.694 177.584 0.359 0.000 1.129 360 A CA -0.417 51.816 52.037 0.327 0.000 0.736 360 A CB 0.349 19.578 19.000 0.382 0.000 1.186 360 A HN 0.279 nan 8.150 nan 0.000 0.445 361 C N 0.753 120.189 119.300 0.227 0.000 2.996 361 C HA 0.435 4.895 4.460 0.000 0.000 0.221 361 C C -2.868 172.128 174.990 0.010 0.000 1.122 361 C CA -1.445 57.632 59.018 0.099 0.000 1.040 361 C CB -0.481 27.334 27.740 0.124 0.000 1.804 361 C HN 0.581 nan 8.230 nan 0.000 0.659 362 P HA 0.349 nan 4.420 nan 0.000 0.266 362 P C -0.605 176.613 177.300 -0.137 0.000 1.195 362 P CA 0.980 63.971 63.100 -0.182 0.000 0.768 362 P CB 0.505 32.209 31.700 0.006 0.000 0.838 363 F N 0.002 119.887 119.950 -0.107 0.000 2.626 363 F HA 0.664 5.191 4.527 0.000 0.000 0.311 363 F C -0.671 175.027 175.800 -0.171 0.000 1.088 363 F CA -1.234 56.668 58.000 -0.164 0.000 0.949 363 F CB 1.648 40.382 39.000 -0.443 0.000 1.322 363 F HN 0.354 nan 8.300 nan 0.000 0.461 364 N N 0.041 118.770 118.700 0.049 0.000 2.329 364 N HA 0.726 5.466 4.740 0.000 0.000 0.282 364 N C -1.254 174.130 175.510 -0.210 0.000 1.198 364 N CA -0.502 52.490 53.050 -0.097 0.000 0.790 364 N CB 2.214 40.630 38.487 -0.117 0.000 1.579 364 N HN 1.089 nan 8.380 nan 0.000 0.475 365 G N -0.555 108.086 108.800 -0.265 0.000 3.247 365 G HA2 0.671 4.631 3.960 0.000 0.000 0.226 365 G HA3 0.671 4.631 3.960 0.000 0.000 0.226 365 G C -1.538 173.247 174.900 -0.193 0.000 1.220 365 G CA -0.910 43.955 45.100 -0.392 0.000 0.875 365 G HN 0.687 nan 8.290 nan 0.000 0.606 366 W N -1.687 119.586 121.300 -0.045 0.000 2.578 366 W HA 0.814 5.474 4.660 0.000 0.000 0.364 366 W C -1.065 175.407 176.519 -0.078 0.000 1.144 366 W CA -1.888 55.441 57.345 -0.026 0.000 1.242 366 W CB 0.245 29.733 29.460 0.046 0.000 1.382 366 W HN 0.380 nan 8.180 nan 0.000 0.625 367 Y N 1.532 121.984 120.300 0.254 0.000 2.298 367 Y HA 0.348 4.898 4.550 0.000 0.000 0.329 367 Y C 0.508 176.415 175.900 0.012 0.000 1.293 367 Y CA -1.000 57.116 58.100 0.027 0.000 1.388 367 Y CB 1.240 39.598 38.460 -0.170 0.000 1.309 367 Y HN 0.351 nan 8.280 nan 0.000 0.544 368 M N 1.594 121.301 119.600 0.178 0.000 2.134 368 M HA 0.326 4.806 4.480 0.000 0.000 0.310 368 M C 0.971 177.200 176.300 -0.118 0.000 0.966 368 M CA -0.275 55.048 55.300 0.038 0.000 0.922 368 M CB 1.338 33.951 32.600 0.023 0.000 1.537 368 M HN 0.866 nan 8.290 nan 0.000 0.424 369 G N 1.905 110.585 108.800 -0.201 0.000 2.663 369 G HA2 -0.380 3.580 3.960 0.000 0.000 0.222 369 G HA3 -0.380 3.580 3.960 0.000 0.000 0.222 369 G C 1.134 175.812 174.900 -0.370 0.000 1.146 369 G CA 2.186 47.096 45.100 -0.317 0.000 0.764 369 G HN 0.859 nan 8.290 nan 0.000 0.608 370 T N -0.981 113.352 114.554 -0.368 0.000 2.849 370 T HA -0.056 4.294 4.350 0.000 0.000 0.270 370 T C 1.946 176.422 174.700 -0.373 0.000 1.066 370 T CA 1.717 63.567 62.100 -0.417 0.000 1.130 370 T CB -0.309 68.252 68.868 -0.512 0.000 0.864 370 T HN 0.577 nan 8.240 nan 0.000 0.481 371 E N 0.902 120.904 120.200 -0.330 0.000 2.077 371 E HA -0.040 4.310 4.350 0.000 0.000 0.193 371 E C 2.108 178.361 176.600 -0.579 0.000 0.989 371 E CA 1.422 57.638 56.400 -0.306 0.000 0.800 371 E CB -0.282 29.389 29.700 -0.048 0.000 0.746 371 E HN 0.594 nan 8.360 nan 0.000 0.452 372 I N 0.319 120.391 120.570 -0.831 0.000 2.364 372 I HA -0.053 4.117 4.170 0.000 0.000 0.241 372 I C 2.619 178.081 176.117 -1.091 0.000 1.082 372 I CA 0.867 61.376 61.300 -1.319 0.000 1.401 372 I CB -0.604 36.557 38.000 -1.398 0.000 1.126 372 I HN 0.103 nan 8.210 nan 0.000 0.429 373 G N 0.897 109.327 108.800 -0.617 0.000 2.459 373 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 373 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 373 G C 1.612 176.418 174.900 -0.158 0.000 1.183 373 G CA 1.401 46.352 45.100 -0.248 0.000 0.776 373 G HN 0.234 nan 8.290 nan 0.000 0.552 374 V N 0.285 120.052 119.914 -0.244 0.000 2.341 374 V HA 0.048 4.168 4.120 0.000 0.000 0.240 374 V C 2.852 178.849 176.094 -0.161 0.000 1.035 374 V CA 1.201 63.397 62.300 -0.174 0.000 1.033 374 V CB -0.427 31.268 31.823 -0.213 0.000 0.678 374 V HN 0.135 nan 8.190 nan 0.000 0.464 375 R N 0.584 120.942 120.500 -0.237 0.000 2.052 375 R HA -0.044 4.296 4.340 0.000 0.000 0.226 375 R C 2.038 178.230 176.300 -0.179 0.000 1.145 375 R CA 1.530 57.514 56.100 -0.194 0.000 0.952 375 R CB -0.972 29.198 30.300 -0.216 0.000 0.847 375 R HN 0.490 nan 8.270 nan 0.000 0.431 376 D N 0.471 120.635 120.400 -0.393 0.000 2.084 376 D HA -0.132 4.508 4.640 0.000 0.000 0.194 376 D C 1.951 178.205 176.300 -0.076 0.000 0.990 376 D CA 1.207 54.935 54.000 -0.453 0.000 0.826 376 D CB -0.245 39.693 40.800 -1.438 0.000 0.971 376 D HN 0.065 nan 8.370 nan 0.000 0.453 377 F N 0.628 120.466 119.950 -0.187 0.000 2.187 377 F HA -0.027 4.500 4.527 0.000 0.000 0.295 377 F C 2.526 178.370 175.800 0.072 0.000 1.091 377 F CA -0.026 57.967 58.000 -0.011 0.000 1.308 377 F CB -0.913 38.060 39.000 -0.046 0.000 1.030 377 F HN 0.044 nan 8.300 nan 0.000 0.487 378 C N -1.071 118.353 119.300 0.207 0.000 2.673 378 C HA 0.138 4.598 4.460 0.000 0.000 0.264 378 C C 0.527 175.568 174.990 0.086 0.000 1.304 378 C CA -0.820 58.277 59.018 0.132 0.000 1.727 378 C CB -1.014 26.768 27.740 0.070 0.000 1.932 378 C HN 0.122 nan 8.230 nan 0.000 0.563 379 D N 1.319 121.762 120.400 0.072 0.000 2.443 379 D HA 0.103 4.743 4.640 0.000 0.000 0.239 379 D C 1.315 177.660 176.300 0.076 0.000 1.136 379 D CA 0.569 54.599 54.000 0.050 0.000 0.879 379 D CB 0.891 41.715 40.800 0.039 0.000 1.195 379 D HN 0.133 nan 8.370 nan 0.000 0.443 380 T N 1.146 115.732 114.554 0.054 0.000 2.652 380 T HA -0.209 4.141 4.350 0.000 0.000 0.267 380 T C 1.627 176.364 174.700 0.062 0.000 1.039 380 T CA 1.163 63.299 62.100 0.060 0.000 1.153 380 T CB -0.121 68.774 68.868 0.046 0.000 0.863 380 T HN 0.552 nan 8.240 nan 0.000 0.428 381 Q N 0.984 120.817 119.800 0.055 0.000 2.515 381 Q HA 0.024 4.364 4.340 0.000 0.000 0.212 381 Q C 0.994 177.035 176.000 0.070 0.000 0.970 381 Q CA 0.614 56.450 55.803 0.055 0.000 0.941 381 Q CB 0.102 28.870 28.738 0.050 0.000 0.998 381 Q HN 0.318 nan 8.270 nan 0.000 0.518 382 R N -0.498 120.061 120.500 0.098 0.000 2.769 382 R HA 0.238 4.578 4.340 0.000 0.000 0.117 382 R C 1.540 177.921 176.300 0.135 0.000 1.152 382 R CA -0.457 55.736 56.100 0.156 0.000 0.887 382 R CB -1.133 29.308 30.300 0.235 0.000 1.099 382 R HN 0.048 nan 8.270 nan 0.000 0.398 383 Y N 1.612 122.031 120.300 0.198 0.000 2.352 383 Y HA -0.110 4.440 4.550 0.000 0.000 0.292 383 Y C 0.707 176.696 175.900 0.147 0.000 1.136 383 Y CA 1.235 59.461 58.100 0.210 0.000 1.227 383 Y CB -0.254 38.426 38.460 0.366 0.000 0.991 383 Y HN 0.463 nan 8.280 nan 0.000 0.545 384 N N 0.378 119.231 118.700 0.254 0.000 2.688 384 N HA -0.221 4.519 4.740 0.000 0.000 0.258 384 N C 0.380 175.995 175.510 0.176 0.000 1.016 384 N CA 0.839 53.994 53.050 0.176 0.000 0.747 384 N CB -1.375 37.184 38.487 0.120 0.000 0.895 384 N HN 0.659 nan 8.380 nan 0.000 0.543 385 I N -3.345 117.342 120.570 0.195 0.000 3.603 385 I HA 0.058 4.228 4.170 0.000 0.000 0.297 385 I C 1.919 178.146 176.117 0.183 0.000 1.269 385 I CA -0.274 61.120 61.300 0.157 0.000 1.361 385 I CB -0.121 37.932 38.000 0.087 0.000 1.063 385 I HN 0.164 nan 8.210 nan 0.000 0.448 386 L N 1.484 122.831 121.223 0.207 0.000 1.997 386 L HA -0.287 4.053 4.340 0.000 0.000 0.216 386 L C 2.758 179.881 176.870 0.422 0.000 1.074 386 L CA 2.356 57.367 54.840 0.284 0.000 0.763 386 L CB -0.538 41.642 42.059 0.203 0.000 0.890 386 L HN 0.415 nan 8.230 nan 0.000 0.434 387 E N 0.774 121.194 120.200 0.366 0.000 2.068 387 E HA -0.309 4.041 4.350 0.000 0.000 0.207 387 E C 1.837 178.485 176.600 0.080 0.000 1.032 387 E CA 2.396 58.941 56.400 0.240 0.000 0.839 387 E CB -0.137 29.662 29.700 0.165 0.000 0.758 387 E HN 0.687 nan 8.360 nan 0.000 0.457 388 E N -0.801 119.462 120.200 0.106 0.000 2.371 388 E HA -0.039 4.311 4.350 0.000 0.000 0.194 388 E C 1.877 178.546 176.600 0.115 0.000 1.012 388 E CA 0.878 57.318 56.400 0.067 0.000 0.860 388 E CB 0.094 29.831 29.700 0.061 0.000 0.811 388 E HN 0.192 nan 8.360 nan 0.000 0.502 389 V N 1.265 121.306 119.914 0.212 0.000 2.719 389 V HA -0.042 4.078 4.120 0.000 0.000 0.252 389 V C 2.304 178.566 176.094 0.280 0.000 1.065 389 V CA 1.571 64.073 62.300 0.337 0.000 1.086 389 V CB -0.323 31.724 31.823 0.374 0.000 0.700 389 V HN 0.514 nan 8.190 nan 0.000 0.467 390 G N 0.134 109.056 108.800 0.203 0.000 2.404 390 G HA2 -0.172 3.788 3.960 0.000 0.000 0.214 390 G HA3 -0.172 3.788 3.960 0.000 0.000 0.214 390 G C 1.714 176.569 174.900 -0.076 0.000 1.189 390 G CA 0.458 45.620 45.100 0.104 0.000 0.789 390 G HN 0.373 nan 8.290 nan 0.000 0.533 391 R N 0.214 120.622 120.500 -0.153 0.000 2.112 391 R HA -0.083 4.257 4.340 0.000 0.000 0.242 391 R C 2.549 178.741 176.300 -0.180 0.000 1.137 391 R CA 1.525 57.519 56.100 -0.176 0.000 0.944 391 R CB -0.318 29.900 30.300 -0.137 0.000 0.857 391 R HN 0.224 nan 8.270 nan 0.000 0.435 392 R N -0.102 120.270 120.500 -0.212 0.000 2.346 392 R HA 0.037 4.377 4.340 0.000 0.000 0.199 392 R C 1.374 177.342 176.300 -0.553 0.000 1.015 392 R CA 0.583 56.369 56.100 -0.523 0.000 1.058 392 R CB 0.103 29.928 30.300 -0.791 0.000 0.921 392 R HN 0.265 nan 8.270 nan 0.000 0.475 393 M N -1.328 118.196 119.600 -0.125 0.000 2.313 393 M HA 0.185 4.665 4.480 0.000 0.000 0.273 393 M C 0.873 177.191 176.300 0.031 0.000 1.049 393 M CA 0.231 55.597 55.300 0.110 0.000 1.004 393 M CB 1.430 34.197 32.600 0.279 0.000 1.461 393 M HN 0.399 nan 8.290 nan 0.000 0.514 394 G N 1.043 109.801 108.800 -0.071 0.000 5.005 394 G HA2 -0.256 3.704 3.960 0.000 0.000 0.251 394 G HA3 -0.256 3.704 3.960 0.000 0.000 0.251 394 G C -0.137 174.714 174.900 -0.082 0.000 1.536 394 G CA -0.395 44.663 45.100 -0.070 0.000 1.060 394 G HN 0.205 nan 8.290 nan 0.000 0.683 395 L N 1.629 122.828 121.223 -0.040 0.000 4.673 395 L HA -0.093 4.247 4.340 0.000 0.000 0.582 395 L C 0.675 177.429 176.870 -0.193 0.000 1.028 395 L CA 1.284 56.088 54.840 -0.061 0.000 0.457 395 L CB -0.432 41.628 42.059 0.002 0.000 0.356 395 L HN 0.713 nan 8.230 nan 0.000 1.168 396 E N 2.177 122.288 120.200 -0.148 0.000 1.858 396 E HA 0.100 4.450 4.350 0.000 0.000 0.267 396 E C 0.941 177.251 176.600 -0.484 0.000 1.215 396 E CA 0.232 56.514 56.400 -0.196 0.000 0.952 396 E CB 0.042 29.712 29.700 -0.050 0.000 1.058 396 E HN 0.562 nan 8.360 nan 0.000 0.407 397 T N 1.481 115.524 114.554 -0.853 0.000 3.163 397 T HA -0.069 4.281 4.350 0.000 0.000 0.260 397 T C 0.576 174.547 174.700 -1.214 0.000 1.156 397 T CA 0.670 61.805 62.100 -1.609 0.000 1.072 397 T CB -0.046 67.938 68.868 -1.472 0.000 0.937 397 T HN 0.488 nan 8.240 nan 0.000 0.528 398 H N 0.107 119.040 119.070 -0.229 0.000 2.674 398 H HA 0.255 4.811 4.556 0.000 0.000 0.274 398 H C 0.049 175.412 175.328 0.059 0.000 1.121 398 H CA -0.047 55.979 56.048 -0.036 0.000 1.132 398 H CB 0.589 30.321 29.762 -0.051 0.000 1.606 398 H HN 0.140 nan 8.280 nan 0.000 0.558 399 T N 3.450 118.079 114.554 0.125 0.000 3.060 399 T HA 0.136 4.486 4.350 0.000 0.000 0.367 399 T C 1.426 176.294 174.700 0.279 0.000 1.229 399 T CA -0.393 61.806 62.100 0.165 0.000 1.104 399 T CB 1.092 70.027 68.868 0.111 0.000 1.083 399 T HN 0.008 nan 8.240 nan 0.000 0.524 400 L N 2.053 123.432 121.223 0.261 0.000 2.021 400 L HA -0.159 4.181 4.340 0.000 0.000 0.215 400 L C 2.726 179.676 176.870 0.133 0.000 1.074 400 L CA 2.096 57.062 54.840 0.211 0.000 0.760 400 L CB -1.394 40.732 42.059 0.112 0.000 0.889 400 L HN 0.695 nan 8.230 nan 0.000 0.433 401 A N -0.387 122.500 122.820 0.111 0.000 2.186 401 A HA -0.172 4.148 4.320 0.000 0.000 0.219 401 A C 2.384 180.024 177.584 0.094 0.000 1.159 401 A CA 1.544 53.628 52.037 0.079 0.000 0.680 401 A CB -0.541 18.498 19.000 0.065 0.000 0.787 401 A HN 0.627 nan 8.150 nan 0.000 0.467 402 S N -0.580 115.211 115.700 0.152 0.000 2.481 402 S HA 0.057 4.527 4.470 0.000 0.000 0.231 402 S C 0.886 175.578 174.600 0.153 0.000 0.996 402 S CA 0.788 59.082 58.200 0.157 0.000 0.942 402 S CB -0.687 62.625 63.200 0.186 0.000 0.768 402 S HN 0.946 nan 8.310 nan 0.000 0.520 403 L N 0.348 121.647 121.223 0.128 0.000 3.898 403 L HA -0.160 4.180 4.340 0.000 0.000 0.407 403 L C 1.556 178.482 176.870 0.093 0.000 1.207 403 L CA 0.617 55.482 54.840 0.040 0.000 0.931 403 L CB -2.784 39.295 42.059 0.034 0.000 2.014 403 L HN 0.717 nan 8.230 nan 0.000 0.858 404 W N 0.477 121.783 121.300 0.011 0.000 2.354 404 W HA -0.161 4.499 4.660 0.000 0.000 0.315 404 W C 1.773 178.304 176.519 0.020 0.000 1.206 404 W CA 1.514 58.866 57.345 0.013 0.000 1.290 404 W CB -0.932 28.523 29.460 -0.007 0.000 1.152 404 W HN 0.231 nan 8.180 nan 0.000 0.489 405 K N 0.848 120.936 120.400 -0.520 0.000 2.089 405 K HA -0.230 4.090 4.320 0.000 0.000 0.210 405 K C 1.541 178.035 176.600 -0.176 0.000 1.048 405 K CA 2.486 58.444 56.287 -0.549 0.000 0.926 405 K CB -0.466 31.513 32.500 -0.868 0.000 0.714 405 K HN 0.048 nan 8.250 nan 0.000 0.448 406 D N -0.097 120.227 120.400 -0.127 0.000 2.117 406 D HA -0.090 4.550 4.640 0.000 0.000 0.197 406 D C 2.052 178.361 176.300 0.015 0.000 0.987 406 D CA 0.898 54.870 54.000 -0.046 0.000 0.829 406 D CB 0.126 40.911 40.800 -0.026 0.000 0.961 406 D HN 0.082 nan 8.370 nan 0.000 0.460 407 R N 0.399 120.937 120.500 0.064 0.000 2.070 407 R HA -0.048 4.292 4.340 0.000 0.000 0.233 407 R C 2.201 178.559 176.300 0.097 0.000 1.137 407 R CA 1.219 57.378 56.100 0.098 0.000 0.945 407 R CB -0.676 29.713 30.300 0.148 0.000 0.845 407 R HN 0.167 nan 8.270 nan 0.000 0.430 408 A N 0.903 123.810 122.820 0.145 0.000 1.841 408 A HA -0.148 4.172 4.320 0.000 0.000 0.216 408 A C 2.419 180.054 177.584 0.085 0.000 1.199 408 A CA 1.986 54.117 52.037 0.156 0.000 0.621 408 A CB -0.928 18.226 19.000 0.256 0.000 0.835 408 A HN 0.139 nan 8.150 nan 0.000 0.445 409 V N 0.201 120.149 119.914 0.056 0.000 2.439 409 V HA -0.285 3.835 4.120 0.000 0.000 0.253 409 V C 2.613 178.705 176.094 -0.003 0.000 1.074 409 V CA 2.492 64.804 62.300 0.020 0.000 1.076 409 V CB -1.613 30.198 31.823 -0.019 0.000 0.664 409 V HN 0.642 nan 8.190 nan 0.000 0.461 410 T N -0.612 113.945 114.554 0.004 0.000 2.821 410 T HA -0.116 4.234 4.350 0.000 0.000 0.267 410 T C 1.860 176.532 174.700 -0.046 0.000 1.046 410 T CA 1.290 63.389 62.100 -0.001 0.000 1.139 410 T CB -0.189 68.691 68.868 0.021 0.000 0.871 410 T HN 0.514 nan 8.240 nan 0.000 0.454 411 E N 1.234 121.397 120.200 -0.063 0.000 2.072 411 E HA 0.063 4.413 4.350 0.000 0.000 0.190 411 E C 2.257 178.685 176.600 -0.287 0.000 0.982 411 E CA 0.615 56.924 56.400 -0.152 0.000 0.803 411 E CB -0.415 29.169 29.700 -0.192 0.000 0.755 411 E HN 0.511 nan 8.360 nan 0.000 0.453 412 I N 1.661 122.144 120.570 -0.145 0.000 2.454 412 I HA -0.227 3.943 4.170 0.000 0.000 0.254 412 I C 2.049 178.112 176.117 -0.089 0.000 1.156 412 I CA 0.733 61.989 61.300 -0.073 0.000 1.433 412 I CB -0.307 37.777 38.000 0.140 0.000 1.082 412 I HN 0.041 nan 8.210 nan 0.000 0.432 413 N N 0.462 119.094 118.700 -0.113 0.000 2.290 413 N HA -0.047 4.693 4.740 0.000 0.000 0.179 413 N C 1.885 177.310 175.510 -0.142 0.000 1.016 413 N CA 0.983 53.966 53.050 -0.111 0.000 0.871 413 N CB 0.260 38.698 38.487 -0.081 0.000 0.987 413 N HN 0.152 nan 8.380 nan 0.000 0.431 414 V N 1.330 121.112 119.914 -0.221 0.000 2.667 414 V HA -0.060 4.060 4.120 0.000 0.000 0.252 414 V C 2.402 178.280 176.094 -0.360 0.000 1.065 414 V CA 1.379 63.517 62.300 -0.269 0.000 1.083 414 V CB -0.852 30.765 31.823 -0.343 0.000 0.692 414 V HN 0.194 nan 8.190 nan 0.000 0.468 415 A N 0.581 123.098 122.820 -0.506 0.000 1.835 415 A HA -0.143 4.177 4.320 0.000 0.000 0.215 415 A C 2.419 179.967 177.584 -0.060 0.000 1.199 415 A CA 2.105 53.875 52.037 -0.445 0.000 0.615 415 A CB -0.909 17.628 19.000 -0.772 0.000 0.838 415 A HN 0.268 nan 8.150 nan 0.000 0.444 416 V N -0.140 119.778 119.914 0.006 0.000 2.233 416 V HA -0.318 3.802 4.120 0.000 0.000 0.252 416 V C 2.571 178.742 176.094 0.128 0.000 1.063 416 V CA 2.381 64.750 62.300 0.116 0.000 1.032 416 V CB -0.898 30.909 31.823 -0.027 0.000 0.645 416 V HN 0.512 nan 8.190 nan 0.000 0.446 417 L N -0.715 120.515 121.223 0.011 0.000 2.131 417 L HA -0.158 4.182 4.340 0.000 0.000 0.210 417 L C 2.370 179.293 176.870 0.090 0.000 1.092 417 L CA 2.044 56.900 54.840 0.027 0.000 0.759 417 L CB -1.070 40.986 42.059 -0.005 0.000 0.903 417 L HN 0.522 nan 8.230 nan 0.000 0.435 418 H N -1.263 117.790 119.070 -0.029 0.000 2.317 418 H HA -0.059 4.497 4.556 0.000 0.000 0.304 418 H C 2.171 177.514 175.328 0.025 0.000 1.067 418 H CA 1.399 57.429 56.048 -0.030 0.000 1.352 418 H CB 0.448 30.145 29.762 -0.109 0.000 1.398 418 H HN 0.234 nan 8.280 nan 0.000 0.510 419 S N 0.395 116.087 115.700 -0.013 0.000 2.374 419 S HA -0.155 4.315 4.470 0.000 0.000 0.227 419 S C 1.964 176.535 174.600 -0.049 0.000 1.037 419 S CA 1.532 59.703 58.200 -0.049 0.000 1.024 419 S CB -0.491 62.759 63.200 0.084 0.000 0.861 419 S HN 0.302 nan 8.310 nan 0.000 0.456 420 F N 1.358 121.262 119.950 -0.076 0.000 2.163 420 F HA -0.062 4.465 4.527 0.000 0.000 0.297 420 F C 2.711 178.463 175.800 -0.081 0.000 1.094 420 F CA 1.298 59.264 58.000 -0.056 0.000 1.290 420 F CB -0.562 38.419 39.000 -0.031 0.000 1.017 420 F HN 0.161 nan 8.300 nan 0.000 0.483 421 Q N 0.540 120.392 119.800 0.088 0.000 2.084 421 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 421 Q C 2.289 178.245 176.000 -0.073 0.000 0.978 421 Q CA 1.938 57.742 55.803 0.002 0.000 0.844 421 Q CB -0.146 28.590 28.738 -0.003 0.000 0.898 421 Q HN 0.283 nan 8.270 nan 0.000 0.426 422 K N -0.123 120.171 120.400 -0.178 0.000 2.002 422 K HA -0.164 4.156 4.320 0.000 0.000 0.209 422 K C 1.538 178.061 176.600 -0.128 0.000 1.048 422 K CA 1.645 57.812 56.287 -0.200 0.000 0.930 422 K CB 0.049 32.333 32.500 -0.360 0.000 0.714 422 K HN 0.315 nan 8.250 nan 0.000 0.438 423 Q N 0.803 120.522 119.800 -0.135 0.000 2.387 423 Q HA 0.015 4.355 4.340 0.000 0.000 0.211 423 Q C -0.520 175.424 176.000 -0.092 0.000 0.952 423 Q CA -0.044 55.687 55.803 -0.120 0.000 0.957 423 Q CB 0.003 28.641 28.738 -0.167 0.000 1.002 423 Q HN 0.320 nan 8.270 nan 0.000 0.502 424 N N -0.242 118.418 118.700 -0.066 0.000 2.721 424 N HA -0.145 4.595 4.740 0.000 0.000 0.249 424 N C -1.264 174.230 175.510 -0.027 0.000 1.072 424 N CA 0.683 53.707 53.050 -0.043 0.000 0.710 424 N CB -1.550 36.911 38.487 -0.044 0.000 0.993 424 N HN 0.059 nan 8.380 nan 0.000 0.547 425 V N 0.459 120.374 119.914 0.001 0.000 2.417 425 V HA 0.282 4.402 4.120 0.000 0.000 0.291 425 V C 0.875 177.086 176.094 0.194 0.000 1.024 425 V CA -0.783 61.563 62.300 0.076 0.000 0.861 425 V CB 1.903 33.732 31.823 0.009 0.000 0.985 425 V HN 0.189 nan 8.190 nan 0.000 0.436 426 T N 6.084 120.695 114.554 0.096 0.000 2.923 426 T HA 0.311 4.661 4.350 0.000 0.000 0.304 426 T C -0.254 174.485 174.700 0.066 0.000 1.044 426 T CA 0.928 63.002 62.100 -0.043 0.000 1.141 426 T CB 0.099 68.831 68.868 -0.227 0.000 1.023 426 T HN 0.549 nan 8.240 nan 0.000 0.533 427 I N 1.984 122.508 120.570 -0.075 0.000 2.984 427 I HA 0.658 4.828 4.170 0.000 0.000 0.303 427 I C -1.594 174.491 176.117 -0.053 0.000 1.381 427 I CA -0.947 60.306 61.300 -0.079 0.000 0.988 427 I CB 2.233 40.117 38.000 -0.194 0.000 1.307 427 I HN 0.746 nan 8.210 nan 0.000 0.460 428 M N 4.447 124.069 119.600 0.036 0.000 2.324 428 M HA 0.430 4.910 4.480 0.000 0.000 0.288 428 M C -1.843 174.498 176.300 0.069 0.000 1.097 428 M CA -0.508 54.848 55.300 0.093 0.000 0.928 428 M CB 1.543 34.296 32.600 0.254 0.000 1.648 428 M HN 0.699 nan 8.290 nan 0.000 0.460 429 D N 2.202 122.651 120.400 0.081 0.000 2.313 429 D HA 0.128 4.768 4.640 0.000 0.000 0.247 429 D C 1.133 177.534 176.300 0.169 0.000 1.094 429 D CA -0.148 53.934 54.000 0.137 0.000 0.925 429 D CB 0.665 41.553 40.800 0.147 0.000 1.188 429 D HN 0.694 nan 8.370 nan 0.000 0.430 430 H N 1.047 120.058 119.070 -0.098 0.000 2.421 430 H HA -0.168 4.388 4.556 0.000 0.000 0.298 430 H C 1.080 176.310 175.328 -0.163 0.000 1.087 430 H CA 1.592 57.541 56.048 -0.165 0.000 1.330 430 H CB -0.849 28.756 29.762 -0.262 0.000 1.388 430 H HN 0.575 nan 8.280 nan 0.000 0.526 431 H N 1.064 120.010 119.070 -0.207 0.000 2.299 431 H HA -0.071 4.485 4.556 0.000 0.000 0.302 431 H C 2.341 177.653 175.328 -0.026 0.000 1.078 431 H CA 2.334 58.286 56.048 -0.159 0.000 1.323 431 H CB -0.351 29.288 29.762 -0.206 0.000 1.381 431 H HN 0.604 nan 8.280 nan 0.000 0.498 432 T N -0.495 114.133 114.554 0.123 0.000 2.833 432 T HA -0.001 4.349 4.350 0.000 0.000 0.269 432 T C 2.316 177.088 174.700 0.120 0.000 1.054 432 T CA 0.982 63.145 62.100 0.105 0.000 1.135 432 T CB -0.424 68.499 68.868 0.092 0.000 0.869 432 T HN 0.345 nan 8.240 nan 0.000 0.466 433 A N 1.897 124.790 122.820 0.121 0.000 1.855 433 A HA -0.008 4.312 4.320 0.000 0.000 0.215 433 A C 2.734 180.410 177.584 0.153 0.000 1.191 433 A CA 1.880 54.000 52.037 0.139 0.000 0.613 433 A CB -1.174 17.895 19.000 0.115 0.000 0.829 433 A HN 0.504 nan 8.150 nan 0.000 0.442 434 S N -0.107 115.663 115.700 0.118 0.000 2.370 434 S HA -0.186 4.284 4.470 0.000 0.000 0.226 434 S C 1.844 176.553 174.600 0.181 0.000 1.033 434 S CA 1.618 59.905 58.200 0.145 0.000 1.011 434 S CB -0.370 62.882 63.200 0.087 0.000 0.852 434 S HN 0.687 nan 8.310 nan 0.000 0.457 435 E N 1.142 121.425 120.200 0.138 0.000 2.110 435 E HA -0.117 4.233 4.350 0.000 0.000 0.193 435 E C 2.439 179.113 176.600 0.122 0.000 0.988 435 E CA 1.399 57.870 56.400 0.117 0.000 0.804 435 E CB -0.224 29.529 29.700 0.088 0.000 0.745 435 E HN 0.649 nan 8.360 nan 0.000 0.458 436 S N 0.746 116.534 115.700 0.147 0.000 2.387 436 S HA -0.156 4.314 4.470 0.000 0.000 0.226 436 S C 1.923 176.637 174.600 0.190 0.000 1.026 436 S CA 0.500 58.789 58.200 0.149 0.000 0.972 436 S CB -0.474 62.821 63.200 0.159 0.000 0.814 436 S HN 0.276 nan 8.310 nan 0.000 0.477 437 F N 2.498 122.508 119.950 0.100 0.000 2.134 437 F HA 0.060 4.587 4.527 0.000 0.000 0.299 437 F C 2.335 178.221 175.800 0.144 0.000 1.097 437 F CA 1.279 59.358 58.000 0.131 0.000 1.264 437 F CB -0.392 38.667 39.000 0.099 0.000 1.001 437 F HN 0.080 nan 8.300 nan 0.000 0.479 438 M N 0.257 119.883 119.600 0.045 0.000 2.108 438 M HA -0.215 4.265 4.480 0.000 0.000 0.261 438 M C 2.234 178.469 176.300 -0.109 0.000 1.066 438 M CA 1.800 57.066 55.300 -0.057 0.000 1.107 438 M CB -1.196 31.436 32.600 0.052 0.000 1.356 438 M HN 0.140 nan 8.290 nan 0.000 0.406 439 K N -0.311 120.069 120.400 -0.033 0.000 2.097 439 K HA -0.210 4.110 4.320 0.000 0.000 0.206 439 K C 1.914 178.486 176.600 -0.047 0.000 1.049 439 K CA 1.713 57.985 56.287 -0.024 0.000 0.933 439 K CB -0.456 32.059 32.500 0.025 0.000 0.717 439 K HN 0.359 nan 8.250 nan 0.000 0.442 440 H N -0.135 118.837 119.070 -0.163 0.000 2.326 440 H HA 0.003 4.559 4.556 0.000 0.000 0.301 440 H C 1.971 177.136 175.328 -0.272 0.000 1.081 440 H CA 2.308 58.242 56.048 -0.190 0.000 1.334 440 H CB -0.158 29.489 29.762 -0.192 0.000 1.385 440 H HN 0.236 nan 8.280 nan 0.000 0.504 441 M N -0.022 119.213 119.600 -0.609 0.000 2.108 441 M HA -0.256 4.224 4.480 0.000 0.000 0.261 441 M C 2.168 178.352 176.300 -0.193 0.000 1.066 441 M CA 2.096 57.101 55.300 -0.492 0.000 1.107 441 M CB -0.016 32.308 32.600 -0.461 0.000 1.356 441 M HN 0.445 nan 8.290 nan 0.000 0.406 442 Q N -0.074 119.618 119.800 -0.181 0.000 2.084 442 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 442 Q C 1.722 177.672 176.000 -0.084 0.000 0.978 442 Q CA 1.713 57.450 55.803 -0.110 0.000 0.844 442 Q CB -0.243 28.433 28.738 -0.105 0.000 0.898 442 Q HN 0.562 nan 8.270 nan 0.000 0.426 443 N N 0.405 119.030 118.700 -0.126 0.000 2.149 443 N HA -0.164 4.576 4.740 0.000 0.000 0.188 443 N C 1.554 176.977 175.510 -0.145 0.000 1.019 443 N CA 1.019 54.008 53.050 -0.102 0.000 0.857 443 N CB -0.099 38.352 38.487 -0.060 0.000 0.997 443 N HN 0.266 nan 8.380 nan 0.000 0.426 444 E N 0.396 120.434 120.200 -0.271 0.000 2.047 444 E HA -0.123 4.227 4.350 0.000 0.000 0.191 444 E C 1.955 178.423 176.600 -0.220 0.000 0.987 444 E CA 0.842 57.051 56.400 -0.319 0.000 0.799 444 E CB -0.443 28.957 29.700 -0.499 0.000 0.752 444 E HN 0.457 nan 8.360 nan 0.000 0.449 445 Y N 0.961 121.141 120.300 -0.200 0.000 2.181 445 Y HA -0.132 4.418 4.550 0.000 0.000 0.288 445 Y C 2.646 178.474 175.900 -0.120 0.000 1.146 445 Y CA 1.326 59.343 58.100 -0.137 0.000 1.164 445 Y CB -0.171 38.208 38.460 -0.135 0.000 0.982 445 Y HN -0.039 nan 8.280 nan 0.000 0.515 446 R N -0.403 120.112 120.500 0.025 0.000 2.073 446 R HA -0.164 4.176 4.340 0.000 0.000 0.234 446 R C 2.346 178.619 176.300 -0.044 0.000 1.134 446 R CA 1.262 57.351 56.100 -0.018 0.000 0.952 446 R CB -0.453 29.829 30.300 -0.031 0.000 0.850 446 R HN 0.351 nan 8.270 nan 0.000 0.433 447 A N 1.173 123.950 122.820 -0.072 0.000 1.930 447 A HA -0.137 4.183 4.320 0.000 0.000 0.215 447 A C 1.733 179.257 177.584 -0.099 0.000 1.176 447 A CA 1.420 53.409 52.037 -0.080 0.000 0.632 447 A CB -0.035 18.914 19.000 -0.085 0.000 0.819 447 A HN 0.463 nan 8.150 nan 0.000 0.445 448 R N -3.191 117.225 120.500 -0.141 0.000 2.538 448 R HA 0.400 4.740 4.340 0.000 0.000 0.372 448 R C 0.813 177.016 176.300 -0.161 0.000 0.950 448 R CA 0.600 56.614 56.100 -0.143 0.000 1.168 448 R CB -0.332 29.871 30.300 -0.161 0.000 1.542 448 R HN 0.870 nan 8.270 nan 0.000 0.536 449 G N -0.119 108.568 108.800 -0.187 0.000 2.132 449 G HA2 -0.041 3.919 3.960 0.000 0.000 0.234 449 G HA3 -0.041 3.919 3.960 0.000 0.000 0.234 449 G C 0.217 174.850 174.900 -0.445 0.000 0.989 449 G CA -0.136 44.849 45.100 -0.191 0.000 0.676 449 G HN 0.953 nan 8.290 nan 0.000 0.522 450 G N -2.337 105.974 108.800 -0.815 0.000 2.316 450 G HA2 0.566 4.526 3.960 0.000 0.000 0.296 450 G HA3 0.566 4.526 3.960 0.000 0.000 0.296 450 G C -0.946 173.499 174.900 -0.758 0.000 1.399 450 G CA 0.334 44.724 45.100 -1.185 0.000 0.833 450 G HN 1.871 nan 8.290 nan 0.000 0.565 451 C N 2.125 121.144 119.300 -0.468 0.000 2.833 451 C HA 0.691 5.151 4.460 0.000 0.000 0.383 451 C C -2.587 172.302 174.990 -0.168 0.000 1.058 451 C CA -1.274 57.611 59.018 -0.223 0.000 1.259 451 C CB 1.185 28.836 27.740 -0.148 0.000 1.726 451 C HN 0.670 nan 8.230 nan 0.000 0.484 452 P HA 0.371 nan 4.420 nan 0.000 0.267 452 P C -0.578 176.579 177.300 -0.238 0.000 1.209 452 P CA 0.689 63.319 63.100 -0.784 0.000 0.763 452 P CB 0.950 32.133 31.700 -0.863 0.000 0.816 453 A N 2.750 125.502 122.820 -0.113 0.000 2.455 453 A HA 0.457 4.777 4.320 0.000 0.000 0.300 453 A C -1.069 176.583 177.584 0.113 0.000 1.040 453 A CA -0.507 51.583 52.037 0.087 0.000 0.697 453 A CB 1.356 20.522 19.000 0.276 0.000 1.265 453 A HN 0.426 nan 8.150 nan 0.000 0.407 454 D N 1.906 122.376 120.400 0.117 0.000 2.477 454 D HA 0.150 4.790 4.640 0.000 0.000 0.239 454 D C 0.763 177.221 176.300 0.263 0.000 1.102 454 D CA -0.594 53.523 54.000 0.195 0.000 0.901 454 D CB 0.245 41.131 40.800 0.144 0.000 1.026 454 D HN 0.589 nan 8.370 nan 0.000 0.515 455 W N 4.326 125.685 121.300 0.097 0.000 2.290 455 W HA -0.246 4.414 4.660 0.000 0.000 0.311 455 W C 1.641 178.206 176.519 0.078 0.000 1.238 455 W CA 1.357 58.742 57.345 0.067 0.000 1.255 455 W CB -0.049 29.425 29.460 0.024 0.000 1.145 455 W HN 0.466 nan 8.180 nan 0.000 0.506 456 I N -1.176 119.698 120.570 0.507 0.000 2.454 456 I HA -0.279 3.891 4.170 0.000 0.000 0.254 456 I C 1.621 177.866 176.117 0.212 0.000 1.156 456 I CA 1.259 62.799 61.300 0.400 0.000 1.433 456 I CB -0.608 37.632 38.000 0.401 0.000 1.082 456 I HN 0.123 nan 8.210 nan 0.000 0.432 457 W N 0.063 121.366 121.300 0.004 0.000 2.735 457 W HA 0.171 4.831 4.660 0.000 0.000 0.264 457 W C 2.174 178.606 176.519 -0.145 0.000 1.233 457 W CA 0.075 57.390 57.345 -0.050 0.000 1.408 457 W CB -0.292 29.158 29.460 -0.016 0.000 1.038 457 W HN -0.089 nan 8.180 nan 0.000 0.603 458 L N -0.113 121.102 121.223 -0.013 0.000 2.217 458 L HA -0.011 4.329 4.340 0.000 0.000 0.211 458 L C 0.579 177.271 176.870 -0.297 0.000 1.107 458 L CA 0.410 55.120 54.840 -0.216 0.000 0.783 458 L CB -0.746 41.127 42.059 -0.309 0.000 0.919 458 L HN -0.397 nan 8.230 nan 0.000 0.442 459 V N 1.271 120.932 119.914 -0.421 0.000 2.427 459 V HA 0.162 4.282 4.120 0.000 0.000 0.268 459 V C -1.849 174.080 176.094 -0.275 0.000 1.046 459 V CA -1.493 60.534 62.300 -0.455 0.000 0.970 459 V CB 0.504 31.796 31.823 -0.885 0.000 1.001 459 V HN 0.027 nan 8.190 nan 0.000 0.476 460 P HA 0.021 nan 4.420 nan 0.000 0.266 460 P C -1.739 175.466 177.300 -0.158 0.000 1.186 460 P CA -0.700 62.308 63.100 -0.153 0.000 0.767 460 P CB 0.089 31.762 31.700 -0.046 0.000 0.820 461 P HA -0.054 nan 4.420 nan 0.000 0.239 461 P C -0.148 177.076 177.300 -0.127 0.000 1.184 461 P CA 0.974 63.972 63.100 -0.170 0.000 0.760 461 P CB 0.084 31.661 31.700 -0.205 0.000 0.884 462 V N -6.708 113.138 119.914 -0.114 0.000 3.147 462 V HA 0.550 4.670 4.120 0.000 0.000 0.306 462 V C 0.349 176.459 176.094 0.026 0.000 1.209 462 V CA -0.990 61.279 62.300 -0.051 0.000 1.023 462 V CB 1.310 33.094 31.823 -0.064 0.000 1.059 462 V HN -0.148 nan 8.190 nan 0.000 0.435 463 S N 0.898 116.617 115.700 0.032 0.000 3.641 463 S HA -0.191 4.279 4.470 0.000 0.000 0.346 463 S C 1.595 176.184 174.600 -0.018 0.000 1.074 463 S CA 1.318 59.538 58.200 0.034 0.000 1.026 463 S CB -1.499 61.760 63.200 0.098 0.000 0.908 463 S HN 2.142 nan 8.310 nan 0.000 0.479 464 G N 2.449 111.225 108.800 -0.039 0.000 2.839 464 G HA2 -0.385 3.575 3.960 0.000 0.000 0.221 464 G HA3 -0.385 3.575 3.960 0.000 0.000 0.221 464 G C 1.424 176.191 174.900 -0.223 0.000 1.271 464 G CA 1.801 46.872 45.100 -0.047 0.000 0.789 464 G HN 1.374 nan 8.290 nan 0.000 0.659 465 S N 0.309 115.611 115.700 -0.665 0.000 2.547 465 S HA 0.061 4.531 4.470 0.000 0.000 0.235 465 S C 1.971 176.547 174.600 -0.040 0.000 0.980 465 S CA 0.774 58.532 58.200 -0.737 0.000 0.941 465 S CB -0.034 62.569 63.200 -0.996 0.000 0.763 465 S HN 0.259 nan 8.310 nan 0.000 0.532 466 I N 2.867 123.418 120.570 -0.032 0.000 3.111 466 I HA 0.041 4.211 4.170 0.000 0.000 0.272 466 I C 1.274 177.462 176.117 0.118 0.000 1.268 466 I CA 0.488 61.820 61.300 0.054 0.000 1.467 466 I CB -2.129 35.923 38.000 0.088 0.000 1.087 466 I HN 0.446 nan 8.210 nan 0.000 0.467 467 T N -1.800 112.823 114.554 0.115 0.000 2.929 467 T HA 0.384 4.734 4.350 0.000 0.000 0.284 467 T C -1.815 173.028 174.700 0.239 0.000 1.014 467 T CA -1.742 60.437 62.100 0.132 0.000 1.051 467 T CB 2.182 71.073 68.868 0.038 0.000 1.028 467 T HN -0.189 nan 8.240 nan 0.000 0.485 468 P HA -0.060 nan 4.420 nan 0.000 0.217 468 P C 1.909 179.409 177.300 0.333 0.000 1.150 468 P CA 0.771 64.031 63.100 0.266 0.000 0.832 468 P CB -0.351 31.449 31.700 0.168 0.000 0.787 469 V N -3.484 116.575 119.914 0.242 0.000 2.720 469 V HA -0.231 3.889 4.120 0.000 0.000 0.256 469 V C 2.071 178.268 176.094 0.172 0.000 1.082 469 V CA 1.452 63.869 62.300 0.196 0.000 1.101 469 V CB -2.029 29.851 31.823 0.096 0.000 0.693 469 V HN -0.047 nan 8.190 nan 0.000 0.479 470 F N 2.329 122.286 119.950 0.013 0.000 2.234 470 F HA -0.050 4.477 4.527 0.000 0.000 0.299 470 F C 2.085 177.994 175.800 0.181 0.000 1.087 470 F CA 2.114 60.125 58.000 0.018 0.000 1.340 470 F CB -0.317 38.597 39.000 -0.144 0.000 1.031 470 F HN 0.317 nan 8.300 nan 0.000 0.500 471 H N -1.438 118.004 119.070 0.620 0.000 2.539 471 H HA 0.154 4.710 4.556 0.000 0.000 0.267 471 H C 0.275 175.856 175.328 0.422 0.000 0.982 471 H CA 0.187 56.546 56.048 0.519 0.000 1.146 471 H CB -0.183 29.835 29.762 0.428 0.000 1.382 471 H HN 0.126 nan 8.280 nan 0.000 0.577 472 Q N 1.973 122.040 119.800 0.445 0.000 2.331 472 Q HA 0.150 4.490 4.340 0.000 0.000 0.257 472 Q C -0.727 175.484 176.000 0.352 0.000 0.957 472 Q CA -0.375 55.628 55.803 0.334 0.000 0.923 472 Q CB 0.553 29.454 28.738 0.272 0.000 1.212 472 Q HN 0.348 nan 8.270 nan 0.000 0.443 473 E N 4.155 124.513 120.200 0.263 0.000 2.354 473 E HA 0.372 4.722 4.350 0.000 0.000 0.269 473 E C -0.293 176.423 176.600 0.194 0.000 1.036 473 E CA 0.026 56.546 56.400 0.201 0.000 0.876 473 E CB 0.729 30.540 29.700 0.185 0.000 1.009 473 E HN 0.682 nan 8.360 nan 0.000 0.416 474 M N 0.725 120.447 119.600 0.204 0.000 2.575 474 M HA 0.496 4.976 4.480 0.000 0.000 0.284 474 M C -1.593 174.829 176.300 0.203 0.000 1.253 474 M CA -1.235 54.205 55.300 0.233 0.000 0.861 474 M CB 1.232 34.015 32.600 0.305 0.000 1.733 474 M HN 0.177 nan 8.290 nan 0.000 0.462 475 L N 2.298 123.663 121.223 0.237 0.000 2.322 475 L HA 0.554 4.894 4.340 0.000 0.000 0.281 475 L C -0.750 176.216 176.870 0.159 0.000 1.014 475 L CA 0.014 55.004 54.840 0.249 0.000 0.815 475 L CB 1.616 43.888 42.059 0.354 0.000 1.247 475 L HN 0.767 nan 8.230 nan 0.000 0.421 476 N N 2.903 121.696 118.700 0.156 0.000 2.417 476 N HA 0.564 5.304 4.740 0.000 0.000 0.274 476 N C -1.668 173.752 175.510 -0.150 0.000 0.987 476 N CA -0.261 52.781 53.050 -0.014 0.000 0.912 476 N CB 0.736 39.351 38.487 0.214 0.000 1.177 476 N HN 0.390 nan 8.380 nan 0.000 0.490 477 Y N -0.172 119.903 120.300 -0.375 0.000 2.581 477 Y HA 0.561 5.111 4.550 0.000 0.000 0.337 477 Y C -1.158 174.373 175.900 -0.615 0.000 1.108 477 Y CA -1.348 56.350 58.100 -0.671 0.000 1.033 477 Y CB 0.594 38.847 38.460 -0.345 0.000 1.318 477 Y HN -0.003 nan 8.280 nan 0.000 0.459 478 V N 4.422 123.955 119.914 -0.635 0.000 2.368 478 V HA 0.329 4.449 4.120 0.000 0.000 0.266 478 V C 0.199 176.033 176.094 -0.433 0.000 1.045 478 V CA -0.301 61.539 62.300 -0.766 0.000 0.899 478 V CB 0.133 31.395 31.823 -0.934 0.000 1.006 478 V HN 0.717 nan 8.190 nan 0.000 0.470 479 L N 3.023 124.078 121.223 -0.281 0.000 2.687 479 L HA 0.707 5.047 4.340 0.000 0.000 0.252 479 L C 0.365 177.173 176.870 -0.103 0.000 1.115 479 L CA -0.468 54.310 54.840 -0.104 0.000 0.893 479 L CB 1.388 43.446 42.059 -0.001 0.000 1.670 479 L HN 0.578 nan 8.230 nan 0.000 0.531 480 S N -0.190 115.497 115.700 -0.021 0.000 2.572 480 S HA 0.541 5.011 4.470 0.000 0.000 0.274 480 S C -2.680 171.947 174.600 0.045 0.000 1.150 480 S CA -1.197 57.013 58.200 0.017 0.000 0.944 480 S CB 1.798 64.994 63.200 -0.007 0.000 1.071 480 S HN 0.228 nan 8.310 nan 0.000 0.479 481 P HA 0.425 nan 4.420 nan 0.000 0.271 481 P C -1.048 176.228 177.300 -0.040 0.000 1.244 481 P CA -0.189 62.882 63.100 -0.048 0.000 0.793 481 P CB 0.265 31.873 31.700 -0.153 0.000 0.984 482 F N -0.727 119.029 119.950 -0.322 0.000 2.719 482 F HA 0.378 4.905 4.527 0.000 0.000 0.309 482 F C -1.609 173.927 175.800 -0.441 0.000 1.138 482 F CA -0.801 56.930 58.000 -0.447 0.000 0.943 482 F CB 1.164 39.894 39.000 -0.451 0.000 1.304 482 F HN 0.100 nan 8.300 nan 0.000 0.445 483 Y N 3.948 123.828 120.300 -0.700 0.000 2.385 483 Y HA 0.468 5.018 4.550 0.000 0.000 0.341 483 Y C -0.895 174.762 175.900 -0.404 0.000 0.965 483 Y CA -0.883 56.988 58.100 -0.382 0.000 1.180 483 Y CB 0.394 38.602 38.460 -0.421 0.000 1.139 483 Y HN 0.361 nan 8.280 nan 0.000 0.502 484 Y N 1.192 121.591 120.300 0.166 0.000 2.488 484 Y HA 0.404 4.954 4.550 0.000 0.000 0.325 484 Y C -0.266 175.698 175.900 0.108 0.000 1.204 484 Y CA -0.991 57.188 58.100 0.131 0.000 1.229 484 Y CB 0.836 39.408 38.460 0.186 0.000 1.274 484 Y HN 0.389 nan 8.280 nan 0.000 0.493 485 Y N 0.673 121.147 120.300 0.291 0.000 2.298 485 Y HA 0.357 4.907 4.550 0.000 0.000 0.329 485 Y C -0.056 175.910 175.900 0.109 0.000 1.293 485 Y CA -1.345 56.835 58.100 0.133 0.000 1.388 485 Y CB 0.650 39.160 38.460 0.084 0.000 1.309 485 Y HN 0.425 nan 8.280 nan 0.000 0.544 486 Q N 0.786 120.704 119.800 0.196 0.000 2.423 486 Q HA 0.486 4.826 4.340 0.000 0.000 0.278 486 Q C -1.185 174.775 176.000 -0.066 0.000 1.097 486 Q CA -1.031 54.800 55.803 0.048 0.000 0.809 486 Q CB 2.811 31.546 28.738 -0.004 0.000 1.391 486 Q HN 0.520 nan 8.270 nan 0.000 0.428 487 I N 2.022 122.527 120.570 -0.109 0.000 2.598 487 I HA -0.043 4.127 4.170 0.000 0.000 0.284 487 I C 0.391 176.290 176.117 -0.362 0.000 1.140 487 I CA 0.308 61.494 61.300 -0.190 0.000 1.420 487 I CB 0.239 38.149 38.000 -0.149 0.000 1.387 487 I HN 0.432 nan 8.210 nan 0.000 0.553 488 E N 9.268 129.151 120.200 -0.527 0.000 2.652 488 E HA -0.088 4.262 4.350 0.000 0.000 0.255 488 E C -1.257 174.674 176.600 -1.114 0.000 0.952 488 E CA -0.873 54.929 56.400 -0.996 0.000 0.947 488 E CB 0.288 29.144 29.700 -1.408 0.000 0.912 488 E HN 0.451 nan 8.360 nan 0.000 0.489 489 P HA -0.224 nan 4.420 nan 0.000 0.217 489 P C 0.922 177.686 177.300 -0.894 0.000 1.151 489 P CA 1.735 64.190 63.100 -1.076 0.000 0.849 489 P CB -0.191 30.545 31.700 -1.607 0.000 0.787 490 W N 1.188 122.068 121.300 -0.701 0.000 2.465 490 W HA 0.066 4.726 4.660 0.000 0.000 0.268 490 W C 1.797 178.356 176.519 0.068 0.000 1.242 490 W CA 0.612 57.881 57.345 -0.126 0.000 1.248 490 W CB -1.498 28.056 29.460 0.157 0.000 1.118 490 W HN -0.086 nan 8.180 nan 0.000 0.587 491 K N 0.409 120.698 120.400 -0.185 0.000 2.296 491 K HA 0.017 4.337 4.320 0.000 0.000 0.200 491 K C 1.503 178.096 176.600 -0.011 0.000 1.048 491 K CA 1.633 57.892 56.287 -0.046 0.000 0.966 491 K CB -0.235 32.164 32.500 -0.169 0.000 0.754 491 K HN 0.318 nan 8.250 nan 0.000 0.466 492 T N -3.212 111.307 114.554 -0.059 0.000 3.043 492 T HA 0.060 4.410 4.350 0.000 0.000 0.272 492 T C -0.068 174.667 174.700 0.059 0.000 0.990 492 T CA -0.480 61.612 62.100 -0.012 0.000 0.897 492 T CB -0.162 68.665 68.868 -0.068 0.000 1.111 492 T HN 0.038 nan 8.240 nan 0.000 0.529 493 H N 1.955 121.019 119.070 -0.010 0.000 2.690 493 H HA 0.498 5.054 4.556 0.000 0.000 0.314 493 H C -0.474 174.877 175.328 0.038 0.000 1.069 493 H CA -1.609 54.423 56.048 -0.028 0.000 1.436 493 H CB 0.101 29.816 29.762 -0.079 0.000 1.462 493 H HN 0.196 nan 8.280 nan 0.000 0.511 494 I N 6.040 126.334 120.570 -0.459 0.000 2.269 494 I HA 0.101 4.271 4.170 0.000 0.000 0.293 494 I C -0.351 175.422 176.117 -0.573 0.000 1.106 494 I CA -0.415 60.713 61.300 -0.287 0.000 1.248 494 I CB -0.471 37.452 38.000 -0.129 0.000 1.444 494 I HN 0.446 nan 8.210 nan 0.000 0.497 495 W N 5.554 126.609 121.300 -0.410 0.000 2.158 495 W HA 0.348 5.008 4.660 0.000 0.000 0.339 495 W C 0.828 177.287 176.519 -0.101 0.000 1.294 495 W CA -0.255 56.955 57.345 -0.227 0.000 1.231 495 W CB 0.330 29.785 29.460 -0.009 0.000 1.143 495 W HN 0.513 nan 8.180 nan 0.000 0.571 496 Q N 0.000 119.924 119.800 0.206 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.878 55.803 0.125 0.000 1.022 496 Q CB 0.000 28.788 28.738 0.083 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481