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 1s4f_1_A DATA FIRST_RESID 92 DATA SEQUENCE VIREHNKWIL KKIRFQGNLN TKKMLNPGKL SEQLDREGRK RNIYNHQIGT DATA SEQUENCE IMSSAGIRLE KLPIVRAQTD TKTFHEAIRD KIDKSENRQN PELHNKLLEI DATA SEQUENCE FHTIAQPTLK HTYGEVTWEQ LEAGVNRKGA AGFLEKKNIG EVLDSEKHLV DATA SEQUENCE EQLVRDLKAG RKIKYYETAI PKNEKRDVSD DWQAGDLVVE KRPRVIQYPE DATA SEQUENCE AKTRLAITKV MYNWVKQQPV VIPGYEGKTP LFNIFDKVRK EWDSFNEPVA DATA SEQUENCE VSFDTKAWDT QVTSKDLQLI GEIQKYYYKK EWHKFIDTIT DHMTEVPVIT DATA SEQUENCE ADGEVYIRNG QRGSGQPDTS AGNSMLNVLT MMYAFCESTG VPYKSFNRVA DATA SEQUENCE RIHVCGDDGF LITEKGLGLK FANKGMQILH EAGKPQKITE GEKMKVAYRF DATA SEQUENCE EDIEFCSHTP VPVRWSDNTS SHMAGRDTAV ILSKMATRLD SSGERGTTAY DATA SEQUENCE EKAVAFSFLL MYSWNPLVRR ICLLVLSQQP ETDPSKHATY YYKGDPIGAY DATA SEQUENCE KDVIGRNLSE LKRTGFEKLA NLNLSLSTLG VWTKHTSKRI IQDCVAIGKE DATA SEQUENCE EGNWLVKPDR LISSKTGHLY IPDKGFTLQG KHY 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 92 V HA 0.000 nan 4.120 nan 0.000 0.244 92 V C 0.000 176.096 176.094 0.004 0.000 1.182 92 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 92 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 93 I N -1.337 119.234 120.570 0.002 0.000 3.244 93 I HA 0.681 4.851 4.170 -0.000 0.000 0.314 93 I C 0.769 176.907 176.117 0.036 0.000 1.043 93 I CA -0.860 60.448 61.300 0.012 0.000 1.099 93 I CB 0.626 38.622 38.000 -0.007 0.000 1.449 93 I HN 0.156 nan 8.210 nan 0.000 0.625 94 R N 1.205 121.750 120.500 0.076 0.000 2.577 94 R HA 0.173 4.513 4.340 -0.000 0.000 0.269 94 R C 1.011 177.407 176.300 0.161 0.000 1.084 94 R CA -0.612 55.559 56.100 0.119 0.000 1.163 94 R CB 0.686 31.102 30.300 0.194 0.000 1.100 94 R HN 0.685 nan 8.270 nan 0.000 0.547 95 E N 1.592 121.869 120.200 0.127 0.000 2.005 95 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 95 E C 1.763 178.519 176.600 0.261 0.000 1.010 95 E CA 1.992 58.472 56.400 0.133 0.000 0.825 95 E CB -0.526 29.209 29.700 0.059 0.000 0.769 95 E HN 0.744 nan 8.360 nan 0.000 0.456 96 H N -0.192 118.935 119.070 0.095 0.000 2.538 96 H HA -0.014 4.542 4.556 -0.000 0.000 0.294 96 H C 1.003 176.495 175.328 0.273 0.000 1.083 96 H CA 0.829 56.972 56.048 0.159 0.000 1.233 96 H CB -0.063 29.770 29.762 0.118 0.000 1.360 96 H HN -0.006 nan 8.280 nan 0.000 0.571 97 N N 0.454 119.306 118.700 0.254 0.000 2.203 97 N HA 0.047 4.787 4.740 -0.000 0.000 0.207 97 N C 0.561 175.975 175.510 -0.160 0.000 1.130 97 N CA 0.125 53.163 53.050 -0.021 0.000 0.861 97 N CB 0.552 38.990 38.487 -0.082 0.000 1.005 97 N HN 0.484 nan 8.380 nan 0.000 0.507 98 K N 0.204 120.603 120.400 -0.000 0.000 2.444 98 K HA 0.058 4.378 4.320 -0.000 0.000 0.193 98 K C 1.656 178.230 176.600 -0.044 0.000 1.024 98 K CA 0.008 56.265 56.287 -0.049 0.000 1.077 98 K CB 0.106 32.622 32.500 0.026 0.000 0.833 98 K HN 0.342 nan 8.250 nan 0.000 0.517 99 W N 0.470 121.775 121.300 0.008 0.000 2.402 99 W HA -0.129 4.531 4.660 -0.000 0.000 0.286 99 W C 1.312 177.827 176.519 -0.006 0.000 1.221 99 W CA 0.204 57.550 57.345 0.001 0.000 1.257 99 W CB -0.748 28.712 29.460 0.000 0.000 1.120 99 W HN -0.042 nan 8.180 nan 0.000 0.551 100 I N 2.222 122.117 120.570 -1.125 0.000 2.226 100 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 100 I C 2.664 178.552 176.117 -0.382 0.000 1.100 100 I CA 1.607 62.275 61.300 -1.053 0.000 1.374 100 I CB -0.672 36.618 38.000 -1.184 0.000 1.057 100 I HN -0.100 nan 8.210 nan 0.000 0.413 101 L N 0.100 121.151 121.223 -0.286 0.000 2.137 101 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 101 L C 2.143 178.964 176.870 -0.081 0.000 1.085 101 L CA 1.549 56.301 54.840 -0.147 0.000 0.760 101 L CB -0.820 41.177 42.059 -0.104 0.000 0.893 101 L HN 0.212 nan 8.230 nan 0.000 0.434 102 K N -0.267 120.111 120.400 -0.038 0.000 2.525 102 K HA -0.055 4.265 4.320 -0.000 0.000 0.192 102 K C 1.519 178.121 176.600 0.003 0.000 1.029 102 K CA 0.442 56.731 56.287 0.003 0.000 1.029 102 K CB 0.153 32.684 32.500 0.051 0.000 0.814 102 K HN 0.290 nan 8.250 nan 0.000 0.503 103 K N 0.206 120.593 120.400 -0.021 0.000 2.380 103 K HA 0.207 4.527 4.320 -0.000 0.000 0.198 103 K C 0.241 176.810 176.600 -0.051 0.000 1.070 103 K CA -0.085 56.196 56.287 -0.011 0.000 1.040 103 K CB 0.669 33.184 32.500 0.026 0.000 0.903 103 K HN 0.050 nan 8.250 nan 0.000 0.549 104 I N 1.785 122.310 120.570 -0.075 0.000 2.598 104 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 104 I C 1.301 177.326 176.117 -0.154 0.000 1.140 104 I CA 0.356 61.605 61.300 -0.086 0.000 1.420 104 I CB 0.673 38.631 38.000 -0.070 0.000 1.387 104 I HN 0.029 nan 8.210 nan 0.000 0.553 105 R N 4.541 124.871 120.500 -0.283 0.000 2.250 105 R HA 0.308 4.648 4.340 -0.000 0.000 0.194 105 R C -0.677 175.110 176.300 -0.855 0.000 0.927 105 R CA 0.534 56.243 56.100 -0.651 0.000 1.052 105 R CB 0.448 30.145 30.300 -1.004 0.000 1.055 105 R HN 0.463 nan 8.270 nan 0.000 0.537 106 F N -0.691 119.286 119.950 0.045 0.000 2.620 106 F HA 0.395 4.922 4.527 -0.000 0.000 0.320 106 F C -0.106 175.710 175.800 0.026 0.000 1.069 106 F CA -1.292 56.734 58.000 0.042 0.000 0.953 106 F CB 1.069 40.112 39.000 0.072 0.000 1.322 106 F HN -0.264 nan 8.300 nan 0.000 0.479 107 Q N 0.851 120.787 119.800 0.227 0.000 2.361 107 Q HA 0.392 4.732 4.340 -0.000 0.000 0.276 107 Q C 0.308 176.376 176.000 0.114 0.000 1.022 107 Q CA -0.057 55.817 55.803 0.118 0.000 0.898 107 Q CB 0.996 29.784 28.738 0.082 0.000 1.246 107 Q HN 0.911 nan 8.270 nan 0.000 0.410 108 G N 2.277 111.116 108.800 0.066 0.000 2.636 108 G HA2 0.005 3.965 3.960 -0.000 0.000 0.246 108 G HA3 0.005 3.965 3.960 -0.000 0.000 0.246 108 G C -0.033 174.888 174.900 0.034 0.000 1.216 108 G CA -0.281 44.850 45.100 0.051 0.000 0.854 108 G HN 0.798 nan 8.290 nan 0.000 0.572 109 N N 0.823 119.539 118.700 0.026 0.000 2.628 109 N HA 0.134 4.874 4.740 -0.000 0.000 0.299 109 N C 0.802 176.313 175.510 0.002 0.000 1.834 109 N CA -0.159 52.895 53.050 0.007 0.000 0.871 109 N CB 0.569 39.062 38.487 0.010 0.000 1.377 109 N HN 0.367 nan 8.380 nan 0.000 0.493 110 L N -0.153 121.070 121.223 -0.000 0.000 2.556 110 L HA 0.239 4.579 4.340 -0.000 0.000 0.226 110 L C 0.198 177.063 176.870 -0.009 0.000 1.089 110 L CA 0.046 54.885 54.840 -0.002 0.000 0.864 110 L CB 0.032 42.090 42.059 -0.001 0.000 1.067 110 L HN 0.114 nan 8.230 nan 0.000 0.477 111 N N 1.091 119.782 118.700 -0.014 0.000 2.725 111 N HA -0.136 4.604 4.740 -0.000 0.000 0.251 111 N C 0.026 175.527 175.510 -0.014 0.000 1.031 111 N CA 1.278 54.317 53.050 -0.019 0.000 0.720 111 N CB -1.559 36.913 38.487 -0.024 0.000 0.930 111 N HN 0.395 nan 8.380 nan 0.000 0.543 112 T N -2.326 112.221 114.554 -0.012 0.000 2.729 112 T HA 0.304 4.654 4.350 -0.000 0.000 0.296 112 T C 1.320 176.013 174.700 -0.011 0.000 0.928 112 T CA -0.602 61.492 62.100 -0.010 0.000 1.045 112 T CB 1.795 70.657 68.868 -0.009 0.000 0.902 112 T HN 0.098 nan 8.240 nan 0.000 0.500 113 K N 1.659 122.053 120.400 -0.010 0.000 2.366 113 K HA 0.035 4.355 4.320 -0.000 0.000 0.198 113 K C 0.971 177.566 176.600 -0.008 0.000 1.044 113 K CA 0.679 56.961 56.287 -0.009 0.000 0.973 113 K CB 0.156 32.651 32.500 -0.009 0.000 0.767 113 K HN 0.584 nan 8.250 nan 0.000 0.475 114 K N 0.136 120.532 120.400 -0.007 0.000 2.895 114 K HA 0.255 4.575 4.320 -0.000 0.000 0.200 114 K C -0.679 175.917 176.600 -0.006 0.000 1.133 114 K CA -0.101 56.182 56.287 -0.006 0.000 1.060 114 K CB 0.843 33.340 32.500 -0.005 0.000 0.735 114 K HN -0.011 nan 8.250 nan 0.000 0.451 115 M N 1.476 121.071 119.600 -0.008 0.000 2.322 115 M HA 0.253 4.733 4.480 -0.000 0.000 0.285 115 M C -1.826 174.466 176.300 -0.013 0.000 1.119 115 M CA -0.972 54.323 55.300 -0.010 0.000 0.953 115 M CB 1.716 34.311 32.600 -0.009 0.000 1.701 115 M HN 0.052 nan 8.290 nan 0.000 0.479 116 L N 4.616 125.829 121.223 -0.016 0.000 2.534 116 L HA 0.202 4.542 4.340 -0.000 0.000 0.271 116 L C -0.226 176.630 176.870 -0.024 0.000 1.178 116 L CA 0.831 55.658 54.840 -0.021 0.000 0.907 116 L CB 0.026 42.070 42.059 -0.025 0.000 1.164 116 L HN 0.724 nan 8.230 nan 0.000 0.482 117 N N 5.826 124.514 118.700 -0.020 0.000 3.044 117 N HA 0.361 5.101 4.740 -0.000 0.000 0.254 117 N C -1.804 173.695 175.510 -0.018 0.000 1.253 117 N CA -1.799 51.240 53.050 -0.018 0.000 0.944 117 N CB 0.731 39.212 38.487 -0.010 0.000 1.217 117 N HN 0.314 nan 8.380 nan 0.000 0.498 118 P HA 0.032 nan 4.420 nan 0.000 0.218 118 P C 0.294 177.581 177.300 -0.021 0.000 1.146 118 P CA 1.114 64.192 63.100 -0.037 0.000 0.820 118 P CB 0.065 31.724 31.700 -0.068 0.000 0.778 119 G N -2.240 106.558 108.800 -0.004 0.000 2.340 119 G HA2 0.166 4.125 3.960 -0.000 0.000 0.282 119 G HA3 0.166 4.125 3.960 -0.000 0.000 0.282 119 G C -1.858 173.075 174.900 0.055 0.000 1.312 119 G CA -0.700 44.418 45.100 0.030 0.000 0.942 119 G HN 0.226 nan 8.290 nan 0.000 0.495 120 K N -0.340 120.133 120.400 0.122 0.000 2.435 120 K HA 0.748 5.068 4.320 -0.000 0.000 0.251 120 K C -0.035 176.687 176.600 0.204 0.000 0.954 120 K CA -0.934 55.458 56.287 0.175 0.000 0.820 120 K CB 1.559 34.209 32.500 0.249 0.000 1.292 120 K HN 0.524 nan 8.250 nan 0.000 0.436 121 L N 1.276 122.601 121.223 0.170 0.000 2.488 121 L HA 0.228 4.568 4.340 -0.000 0.000 0.249 121 L C 1.491 178.543 176.870 0.304 0.000 1.151 121 L CA -0.308 54.612 54.840 0.135 0.000 0.806 121 L CB 1.175 43.284 42.059 0.083 0.000 1.261 121 L HN 0.909 nan 8.230 nan 0.000 0.484 122 S N -2.404 113.434 115.700 0.230 0.000 2.511 122 S HA 0.152 4.622 4.470 -0.000 0.000 0.214 122 S C 0.423 175.157 174.600 0.223 0.000 0.997 122 S CA -0.447 57.981 58.200 0.380 0.000 0.908 122 S CB 0.114 63.477 63.200 0.272 0.000 0.803 122 S HN 0.625 nan 8.310 nan 0.000 0.504 123 E N 0.675 120.952 120.200 0.127 0.000 2.267 123 E HA 0.636 4.986 4.350 -0.000 0.000 0.258 123 E C -0.556 176.071 176.600 0.046 0.000 1.074 123 E CA -0.709 55.730 56.400 0.065 0.000 0.915 123 E CB 0.833 30.558 29.700 0.042 0.000 1.186 123 E HN 0.334 nan 8.360 nan 0.000 0.439 124 Q N 0.395 120.203 119.800 0.015 0.000 2.578 124 Q HA 0.280 4.620 4.340 -0.000 0.000 0.284 124 Q C -1.964 174.032 176.000 -0.006 0.000 0.960 124 Q CA -0.777 55.026 55.803 -0.001 0.000 0.809 124 Q CB 1.127 29.846 28.738 -0.032 0.000 1.462 124 Q HN 0.260 nan 8.270 nan 0.000 0.392 125 L N 3.538 124.756 121.223 -0.007 0.000 2.268 125 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 125 L C -0.086 176.774 176.870 -0.017 0.000 1.064 125 L CA 0.324 55.160 54.840 -0.008 0.000 0.824 125 L CB 0.702 42.760 42.059 -0.003 0.000 1.202 125 L HN 0.571 nan 8.230 nan 0.000 0.433 126 D N 3.486 123.874 120.400 -0.019 0.000 2.443 126 D HA -0.118 4.521 4.640 -0.000 0.000 0.234 126 D C 1.133 177.420 176.300 -0.022 0.000 1.172 126 D CA -0.196 53.790 54.000 -0.025 0.000 0.878 126 D CB 0.967 41.751 40.800 -0.025 0.000 1.204 126 D HN 0.672 nan 8.370 nan 0.000 0.453 127 R N 1.437 121.922 120.500 -0.026 0.000 2.371 127 R HA -0.172 4.168 4.340 -0.000 0.000 0.226 127 R C 0.610 176.898 176.300 -0.021 0.000 1.132 127 R CA 1.315 57.401 56.100 -0.023 0.000 1.027 127 R CB -0.052 30.232 30.300 -0.027 0.000 0.848 127 R HN 0.285 nan 8.270 nan 0.000 0.479 128 E N -0.758 119.429 120.200 -0.020 0.000 3.575 128 E HA 0.219 4.569 4.350 -0.000 0.000 0.201 128 E C 0.374 176.965 176.600 -0.015 0.000 0.999 128 E CA 0.361 56.750 56.400 -0.018 0.000 1.315 128 E CB 0.638 30.326 29.700 -0.021 0.000 1.146 128 E HN 0.376 nan 8.360 nan 0.000 0.453 129 G N 0.708 109.501 108.800 -0.012 0.000 2.320 129 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.242 129 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.242 129 G C 0.514 175.409 174.900 -0.009 0.000 1.033 129 G CA 0.134 45.229 45.100 -0.009 0.000 0.620 129 G HN 0.234 nan 8.290 nan 0.000 0.517 130 R N 0.905 121.398 120.500 -0.012 0.000 2.784 130 R HA 0.386 4.726 4.340 -0.000 0.000 0.266 130 R C 0.436 176.730 176.300 -0.010 0.000 1.044 130 R CA 0.075 56.168 56.100 -0.012 0.000 1.151 130 R CB 0.363 30.653 30.300 -0.017 0.000 1.037 130 R HN 0.493 nan 8.270 nan 0.000 0.478 131 K N 3.222 123.617 120.400 -0.007 0.000 2.449 131 K HA 0.231 4.551 4.320 -0.000 0.000 0.257 131 K C -0.457 176.139 176.600 -0.006 0.000 0.989 131 K CA -0.443 55.841 56.287 -0.004 0.000 0.916 131 K CB 0.646 33.148 32.500 0.003 0.000 1.136 131 K HN 0.556 nan 8.250 nan 0.000 0.439 132 R N 1.606 122.100 120.500 -0.010 0.000 3.006 132 R HA 0.425 4.765 4.340 -0.000 0.000 0.235 132 R C -0.549 175.749 176.300 -0.004 0.000 1.362 132 R CA -1.021 55.073 56.100 -0.011 0.000 1.067 132 R CB 0.270 30.557 30.300 -0.021 0.000 1.396 132 R HN 0.301 nan 8.270 nan 0.000 0.504 133 N N -0.817 117.886 118.700 0.005 0.000 2.495 133 N HA 0.255 4.995 4.740 -0.000 0.000 0.280 133 N C 0.445 175.940 175.510 -0.026 0.000 1.168 133 N CA -0.350 52.718 53.050 0.030 0.000 0.978 133 N CB 1.151 39.688 38.487 0.082 0.000 1.191 133 N HN 0.483 nan 8.380 nan 0.000 0.497 134 I N 0.056 120.577 120.570 -0.082 0.000 2.494 134 I HA -0.026 4.144 4.170 -0.000 0.000 0.250 134 I C -0.003 175.832 176.117 -0.470 0.000 1.112 134 I CA 0.812 61.898 61.300 -0.356 0.000 1.438 134 I CB 0.055 37.692 38.000 -0.605 0.000 1.111 134 I HN 0.483 nan 8.210 nan 0.000 0.431 135 Y N -0.426 119.926 120.300 0.086 0.000 2.782 135 Y HA 0.349 4.899 4.550 -0.000 0.000 0.329 135 Y C 0.330 176.303 175.900 0.123 0.000 1.192 135 Y CA -1.251 56.900 58.100 0.086 0.000 1.216 135 Y CB 0.321 38.834 38.460 0.088 0.000 1.447 135 Y HN -0.186 nan 8.280 nan 0.000 0.616 136 N N 1.058 119.955 118.700 0.328 0.000 2.437 136 N HA 0.037 4.777 4.740 -0.000 0.000 0.243 136 N C 0.436 176.094 175.510 0.246 0.000 1.041 136 N CA 0.089 53.292 53.050 0.256 0.000 0.940 136 N CB 0.551 39.158 38.487 0.200 0.000 1.133 136 N HN 0.724 nan 8.380 nan 0.000 0.506 137 H N 2.942 122.110 119.070 0.164 0.000 2.265 137 H HA -0.194 4.362 4.556 -0.000 0.000 0.293 137 H C 1.279 176.664 175.328 0.094 0.000 1.089 137 H CA 2.145 58.273 56.048 0.135 0.000 1.244 137 H CB 0.525 30.353 29.762 0.110 0.000 1.355 137 H HN 0.451 nan 8.280 nan 0.000 0.485 138 Q N 0.290 120.071 119.800 -0.031 0.000 1.975 138 Q HA -0.139 4.201 4.340 -0.000 0.000 0.205 138 Q C 2.903 178.841 176.000 -0.104 0.000 0.990 138 Q CA 1.875 57.612 55.803 -0.111 0.000 0.845 138 Q CB -0.776 27.966 28.738 0.008 0.000 0.913 138 Q HN 0.581 nan 8.270 nan 0.000 0.420 139 I N 0.328 120.873 120.570 -0.042 0.000 2.151 139 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 139 I C 2.323 178.392 176.117 -0.080 0.000 1.080 139 I CA 1.482 62.745 61.300 -0.062 0.000 1.339 139 I CB -0.770 37.193 38.000 -0.061 0.000 1.039 139 I HN 0.288 nan 8.210 nan 0.000 0.409 140 G N -0.065 108.702 108.800 -0.054 0.000 2.418 140 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 140 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 140 G C 1.636 176.492 174.900 -0.074 0.000 1.158 140 G CA 1.409 46.474 45.100 -0.059 0.000 0.771 140 G HN 0.307 nan 8.290 nan 0.000 0.545 141 T N 1.488 115.949 114.554 -0.154 0.000 2.708 141 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 141 T C 2.394 177.028 174.700 -0.110 0.000 1.037 141 T CA 1.128 63.123 62.100 -0.175 0.000 1.146 141 T CB -0.180 68.485 68.868 -0.340 0.000 0.865 141 T HN 0.280 nan 8.240 nan 0.000 0.435 142 I N 0.739 121.244 120.570 -0.108 0.000 2.179 142 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 142 I C 2.566 178.649 176.117 -0.056 0.000 1.088 142 I CA 1.425 62.679 61.300 -0.077 0.000 1.357 142 I CB -0.469 37.487 38.000 -0.073 0.000 1.051 142 I HN 0.233 nan 8.210 nan 0.000 0.409 143 M N 0.122 119.685 119.600 -0.061 0.000 2.149 143 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 143 M C 2.375 178.666 176.300 -0.016 0.000 1.064 143 M CA 1.692 56.966 55.300 -0.044 0.000 1.102 143 M CB -0.366 32.191 32.600 -0.073 0.000 1.369 143 M HN 0.153 nan 8.290 nan 0.000 0.408 144 S N -0.184 115.504 115.700 -0.020 0.000 2.453 144 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 144 S C 1.948 176.542 174.600 -0.010 0.000 1.005 144 S CA 1.045 59.244 58.200 -0.002 0.000 0.949 144 S CB -0.149 63.043 63.200 -0.012 0.000 0.774 144 S HN 0.430 nan 8.310 nan 0.000 0.510 145 S N 1.872 117.558 115.700 -0.023 0.000 2.370 145 S HA 0.039 4.509 4.470 -0.000 0.000 0.226 145 S C 1.181 175.777 174.600 -0.006 0.000 1.033 145 S CA 0.965 59.151 58.200 -0.023 0.000 1.011 145 S CB -0.295 62.885 63.200 -0.034 0.000 0.852 145 S HN 0.650 nan 8.310 nan 0.000 0.457 146 A N 0.720 123.543 122.820 0.005 0.000 2.240 146 A HA 0.615 4.935 4.320 -0.000 0.000 0.292 146 A C 1.221 178.829 177.584 0.041 0.000 1.121 146 A CA -0.066 51.986 52.037 0.024 0.000 0.851 146 A CB -0.242 18.780 19.000 0.038 0.000 1.167 146 A HN 0.350 nan 8.150 nan 0.000 0.503 147 G N -0.128 108.703 108.800 0.051 0.000 3.324 147 G HA2 0.346 4.306 3.960 -0.000 0.000 0.232 147 G HA3 0.346 4.306 3.960 -0.000 0.000 0.232 147 G C 0.021 174.985 174.900 0.106 0.000 1.213 147 G CA -0.036 45.099 45.100 0.058 0.000 1.637 147 G HN 0.474 nan 8.290 nan 0.000 0.572 148 I N 0.935 121.562 120.570 0.095 0.000 2.291 148 I HA 0.200 4.370 4.170 -0.000 0.000 0.290 148 I C 0.178 176.338 176.117 0.073 0.000 1.050 148 I CA -0.579 60.777 61.300 0.094 0.000 1.245 148 I CB 0.872 38.905 38.000 0.056 0.000 1.405 148 I HN 0.085 nan 8.210 nan 0.000 0.478 149 R N 6.619 127.170 120.500 0.085 0.000 2.419 149 R HA 0.244 4.584 4.340 -0.000 0.000 0.305 149 R C 1.017 177.344 176.300 0.044 0.000 1.242 149 R CA -0.347 55.815 56.100 0.103 0.000 1.105 149 R CB 0.457 30.819 30.300 0.103 0.000 1.116 149 R HN 0.698 nan 8.270 nan 0.000 0.523 150 L N 2.172 123.390 121.223 -0.008 0.000 2.197 150 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 150 L C 2.033 178.774 176.870 -0.216 0.000 1.095 150 L CA 1.614 56.302 54.840 -0.252 0.000 0.764 150 L CB -0.513 41.179 42.059 -0.612 0.000 0.897 150 L HN 0.664 nan 8.230 nan 0.000 0.436 151 E N 0.207 120.330 120.200 -0.128 0.000 2.110 151 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 151 E C 1.491 178.152 176.600 0.101 0.000 0.988 151 E CA 0.792 57.167 56.400 -0.042 0.000 0.804 151 E CB -0.214 29.504 29.700 0.031 0.000 0.745 151 E HN 0.405 nan 8.360 nan 0.000 0.458 152 K N 0.984 121.452 120.400 0.113 0.000 2.487 152 K HA 0.137 4.457 4.320 -0.000 0.000 0.192 152 K C 0.690 177.467 176.600 0.295 0.000 1.027 152 K CA 0.114 56.533 56.287 0.219 0.000 1.054 152 K CB -0.119 32.462 32.500 0.136 0.000 0.824 152 K HN 0.236 nan 8.250 nan 0.000 0.510 153 L N 3.418 124.716 121.223 0.126 0.000 2.513 153 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 153 L C -1.830 174.961 176.870 -0.131 0.000 1.187 153 L CA -1.526 53.314 54.840 0.000 0.000 0.895 153 L CB -0.083 41.938 42.059 -0.063 0.000 1.147 153 L HN -0.215 nan 8.230 nan 0.000 0.483 154 P HA 0.127 nan 4.420 nan 0.000 0.238 154 P C -0.499 176.424 177.300 -0.629 0.000 1.679 154 P CA 0.709 63.344 63.100 -0.775 0.000 1.080 154 P CB -0.177 31.256 31.700 -0.445 0.000 1.961 155 I N 1.095 121.337 120.570 -0.547 0.000 2.722 155 I HA 0.537 4.706 4.170 -0.000 0.000 0.295 155 I C -0.998 175.004 176.117 -0.193 0.000 1.161 155 I CA -1.147 59.982 61.300 -0.284 0.000 1.032 155 I CB 2.447 40.370 38.000 -0.128 0.000 1.244 155 I HN -0.119 nan 8.210 nan 0.000 0.421 156 V N 3.171 123.012 119.914 -0.122 0.000 3.147 156 V HA 0.609 4.728 4.120 -0.000 0.000 0.299 156 V C -0.869 175.210 176.094 -0.025 0.000 1.302 156 V CA -1.005 61.275 62.300 -0.033 0.000 1.015 156 V CB 1.929 33.758 31.823 0.010 0.000 1.086 156 V HN 0.791 nan 8.190 nan 0.000 0.437 157 R N 1.502 121.998 120.500 -0.006 0.000 2.679 157 R HA 0.737 5.077 4.340 -0.000 0.000 0.269 157 R C 0.302 176.601 176.300 -0.001 0.000 1.076 157 R CA 0.320 56.414 56.100 -0.011 0.000 1.160 157 R CB 1.135 31.428 30.300 -0.012 0.000 1.054 157 R HN 1.178 nan 8.270 nan 0.000 0.507 158 A N 1.935 124.753 122.820 -0.003 0.000 2.309 158 A HA 0.149 4.469 4.320 -0.000 0.000 0.298 158 A C -0.339 177.254 177.584 0.014 0.000 1.165 158 A CA -0.549 51.493 52.037 0.008 0.000 0.821 158 A CB 0.629 19.633 19.000 0.007 0.000 1.102 158 A HN 0.669 nan 8.150 nan 0.000 0.500 159 Q N 1.142 120.959 119.800 0.029 0.000 2.244 159 Q HA 0.056 4.396 4.340 -0.000 0.000 0.276 159 Q C 0.468 176.489 176.000 0.034 0.000 1.122 159 Q CA 0.390 56.214 55.803 0.034 0.000 0.920 159 Q CB 0.475 29.241 28.738 0.048 0.000 1.186 159 Q HN 0.780 nan 8.270 nan 0.000 0.393 160 T N 1.684 116.244 114.554 0.010 0.000 3.092 160 T HA 0.005 4.355 4.350 -0.000 0.000 0.258 160 T C -0.411 174.279 174.700 -0.018 0.000 1.031 160 T CA -0.300 61.788 62.100 -0.020 0.000 0.925 160 T CB 0.030 68.870 68.868 -0.046 0.000 1.036 160 T HN 0.693 nan 8.240 nan 0.000 0.544 161 D N -0.003 120.407 120.400 0.017 0.000 2.350 161 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 161 D C 1.303 177.632 176.300 0.048 0.000 1.119 161 D CA -0.164 53.846 54.000 0.017 0.000 0.886 161 D CB 0.875 41.684 40.800 0.015 0.000 1.195 161 D HN -0.146 nan 8.370 nan 0.000 0.437 162 T N 1.754 116.319 114.554 0.018 0.000 2.649 162 T HA -0.361 3.989 4.350 -0.000 0.000 0.268 162 T C 1.584 176.212 174.700 -0.121 0.000 1.036 162 T CA 2.183 64.268 62.100 -0.026 0.000 1.157 162 T CB -0.386 68.396 68.868 -0.144 0.000 0.861 162 T HN 0.680 nan 8.240 nan 0.000 0.445 163 K N 1.146 121.498 120.400 -0.080 0.000 2.044 163 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 163 K C 2.300 178.915 176.600 0.024 0.000 1.049 163 K CA 2.335 58.594 56.287 -0.048 0.000 0.927 163 K CB -0.695 31.797 32.500 -0.013 0.000 0.713 163 K HN 0.556 nan 8.250 nan 0.000 0.443 164 T N -1.969 112.624 114.554 0.065 0.000 2.978 164 T HA -0.045 4.305 4.350 -0.000 0.000 0.262 164 T C 1.728 176.531 174.700 0.172 0.000 1.063 164 T CA 0.555 62.713 62.100 0.096 0.000 1.140 164 T CB -0.525 68.392 68.868 0.083 0.000 0.886 164 T HN 0.250 nan 8.240 nan 0.000 0.470 165 F N 2.575 122.550 119.950 0.041 0.000 2.095 165 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 165 F C 2.255 178.160 175.800 0.175 0.000 1.104 165 F CA 1.254 59.311 58.000 0.095 0.000 1.232 165 F CB -0.979 38.082 39.000 0.101 0.000 0.987 165 F HN 0.316 nan 8.300 nan 0.000 0.475 166 H N -0.328 118.673 119.070 -0.114 0.000 2.353 166 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 166 H C 2.108 177.331 175.328 -0.176 0.000 1.090 166 H CA 1.186 57.078 56.048 -0.259 0.000 1.327 166 H CB -0.091 29.607 29.762 -0.107 0.000 1.383 166 H HN 0.423 nan 8.280 nan 0.000 0.508 167 E N 0.832 121.069 120.200 0.061 0.000 2.070 167 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 167 E C 2.507 179.094 176.600 -0.021 0.000 1.004 167 E CA 0.762 57.172 56.400 0.017 0.000 0.805 167 E CB -0.105 29.616 29.700 0.035 0.000 0.744 167 E HN 0.438 nan 8.360 nan 0.000 0.451 168 A N 1.646 124.463 122.820 -0.005 0.000 1.849 168 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 168 A C 2.258 179.789 177.584 -0.088 0.000 1.202 168 A CA 1.688 53.720 52.037 -0.008 0.000 0.629 168 A CB -0.917 18.130 19.000 0.077 0.000 0.834 168 A HN 0.177 nan 8.150 nan 0.000 0.447 169 I N -1.155 119.293 120.570 -0.205 0.000 2.151 169 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 169 I C 2.849 178.805 176.117 -0.269 0.000 1.080 169 I CA 1.879 63.000 61.300 -0.298 0.000 1.339 169 I CB -0.464 37.242 38.000 -0.489 0.000 1.039 169 I HN 0.327 nan 8.210 nan 0.000 0.409 170 R N 0.582 120.952 120.500 -0.217 0.000 2.073 170 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 170 R C 1.994 178.224 176.300 -0.117 0.000 1.134 170 R CA 1.831 57.829 56.100 -0.169 0.000 0.952 170 R CB -0.250 29.980 30.300 -0.116 0.000 0.850 170 R HN 0.362 nan 8.270 nan 0.000 0.433 171 D N 0.013 120.365 120.400 -0.081 0.000 2.117 171 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 171 D C 1.633 177.903 176.300 -0.050 0.000 0.987 171 D CA 1.466 55.436 54.000 -0.051 0.000 0.829 171 D CB 0.114 40.900 40.800 -0.024 0.000 0.961 171 D HN 0.240 nan 8.370 nan 0.000 0.460 172 K N -0.510 119.857 120.400 -0.055 0.000 2.240 172 K HA 0.247 4.567 4.320 -0.000 0.000 0.202 172 K C 2.267 178.827 176.600 -0.067 0.000 1.053 172 K CA 0.031 56.293 56.287 -0.042 0.000 0.973 172 K CB 0.528 33.021 32.500 -0.012 0.000 0.924 172 K HN 0.032 nan 8.250 nan 0.000 0.477 173 I N 1.640 122.148 120.570 -0.103 0.000 2.333 173 I HA -0.136 4.034 4.170 -0.000 0.000 0.246 173 I C 0.681 176.693 176.117 -0.175 0.000 1.106 173 I CA 0.625 61.843 61.300 -0.135 0.000 1.411 173 I CB -0.032 37.856 38.000 -0.186 0.000 1.082 173 I HN 0.117 nan 8.210 nan 0.000 0.420 174 D N 3.278 123.549 120.400 -0.215 0.000 2.385 174 D HA 0.053 4.693 4.640 -0.000 0.000 0.260 174 D C -0.290 175.938 176.300 -0.121 0.000 1.326 174 D CA 0.358 54.239 54.000 -0.197 0.000 1.023 174 D CB -0.278 40.400 40.800 -0.203 0.000 1.083 174 D HN 0.354 nan 8.370 nan 0.000 0.517 175 K N 0.007 120.348 120.400 -0.099 0.000 2.568 175 K HA 0.477 4.797 4.320 -0.000 0.000 0.273 175 K C -0.756 175.809 176.600 -0.058 0.000 0.951 175 K CA -1.064 55.181 56.287 -0.071 0.000 0.854 175 K CB 0.669 33.130 32.500 -0.066 0.000 1.424 175 K HN 0.109 nan 8.250 nan 0.000 0.427 176 S N 0.437 116.109 115.700 -0.046 0.000 2.603 176 S HA 0.138 4.608 4.470 -0.000 0.000 0.268 176 S C -0.130 174.445 174.600 -0.043 0.000 1.317 176 S CA -0.757 57.420 58.200 -0.038 0.000 1.012 176 S CB 0.534 63.717 63.200 -0.029 0.000 0.926 176 S HN 0.607 nan 8.310 nan 0.000 0.539 177 E N 1.615 121.791 120.200 -0.040 0.000 2.414 177 E HA 0.049 4.399 4.350 -0.000 0.000 0.263 177 E C -0.084 176.490 176.600 -0.044 0.000 1.000 177 E CA -0.130 56.242 56.400 -0.047 0.000 0.914 177 E CB 0.292 29.966 29.700 -0.043 0.000 0.948 177 E HN 0.531 nan 8.360 nan 0.000 0.444 178 N N 2.743 121.408 118.700 -0.059 0.000 2.492 178 N HA 0.026 4.766 4.740 -0.000 0.000 0.260 178 N C 0.017 175.512 175.510 -0.025 0.000 1.215 178 N CA 0.261 53.281 53.050 -0.051 0.000 0.923 178 N CB 0.609 39.044 38.487 -0.086 0.000 1.092 178 N HN 0.293 nan 8.380 nan 0.000 0.448 179 R N 1.303 121.801 120.500 -0.004 0.000 2.490 179 R HA 0.130 4.470 4.340 -0.000 0.000 0.280 179 R C -0.318 175.995 176.300 0.021 0.000 1.077 179 R CA 0.049 56.157 56.100 0.014 0.000 1.065 179 R CB 0.539 30.856 30.300 0.028 0.000 1.003 179 R HN 0.521 nan 8.270 nan 0.000 0.470 180 Q N 2.105 121.919 119.800 0.025 0.000 2.359 180 Q HA 0.198 4.538 4.340 -0.000 0.000 0.274 180 Q C -0.874 175.138 176.000 0.019 0.000 1.074 180 Q CA -1.055 54.758 55.803 0.017 0.000 0.810 180 Q CB 2.285 31.026 28.738 0.006 0.000 1.342 180 Q HN 0.720 nan 8.270 nan 0.000 0.427 181 N N 1.602 120.313 118.700 0.019 0.000 2.294 181 N HA -0.068 4.672 4.740 -0.000 0.000 0.248 181 N C -2.173 173.344 175.510 0.011 0.000 1.242 181 N CA -0.633 52.434 53.050 0.028 0.000 0.848 181 N CB 0.402 38.922 38.487 0.054 0.000 1.084 181 N HN 0.227 nan 8.380 nan 0.000 0.457 182 P HA -0.217 nan 4.420 nan 0.000 0.207 182 P C 1.055 178.370 177.300 0.026 0.000 0.926 182 P CA 1.136 64.255 63.100 0.033 0.000 0.982 182 P CB 0.060 31.781 31.700 0.035 0.000 0.686 183 E N -0.455 119.762 120.200 0.028 0.000 2.401 183 E HA -0.208 4.142 4.350 -0.000 0.000 0.204 183 E C 1.902 178.476 176.600 -0.043 0.000 1.036 183 E CA 0.500 56.914 56.400 0.024 0.000 0.856 183 E CB -0.913 28.820 29.700 0.054 0.000 0.770 183 E HN 0.293 nan 8.360 nan 0.000 0.527 184 L N 0.909 122.048 121.223 -0.141 0.000 2.040 184 L HA -0.325 4.015 4.340 -0.000 0.000 0.228 184 L C 2.367 178.949 176.870 -0.479 0.000 1.092 184 L CA 1.960 56.551 54.840 -0.414 0.000 0.805 184 L CB -0.450 41.287 42.059 -0.537 0.000 0.905 184 L HN 0.332 nan 8.230 nan 0.000 0.443 185 H N -0.396 118.583 119.070 -0.152 0.000 2.456 185 H HA -0.111 4.445 4.556 -0.000 0.000 0.296 185 H C 2.084 177.358 175.328 -0.090 0.000 1.079 185 H CA 1.333 57.304 56.048 -0.129 0.000 1.322 185 H CB -0.219 29.486 29.762 -0.095 0.000 1.388 185 H HN 0.523 nan 8.280 nan 0.000 0.538 186 N N 1.362 120.074 118.700 0.020 0.000 2.058 186 N HA -0.112 4.628 4.740 -0.000 0.000 0.191 186 N C 1.855 177.370 175.510 0.008 0.000 1.037 186 N CA 0.866 53.939 53.050 0.039 0.000 0.848 186 N CB -0.132 38.388 38.487 0.056 0.000 1.021 186 N HN 0.397 nan 8.380 nan 0.000 0.422 187 K N 0.827 121.210 120.400 -0.028 0.000 2.152 187 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 187 K C 2.137 178.611 176.600 -0.209 0.000 1.048 187 K CA 0.673 56.928 56.287 -0.054 0.000 0.933 187 K CB -0.150 32.403 32.500 0.089 0.000 0.721 187 K HN 0.159 nan 8.250 nan 0.000 0.447 188 L N 0.806 121.891 121.223 -0.231 0.000 2.093 188 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 188 L C 2.406 179.208 176.870 -0.115 0.000 1.085 188 L CA 0.758 55.469 54.840 -0.215 0.000 0.755 188 L CB -0.297 41.625 42.059 -0.229 0.000 0.904 188 L HN 0.218 nan 8.230 nan 0.000 0.435 189 L N -0.135 121.053 121.223 -0.060 0.000 2.056 189 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 189 L C 2.579 179.455 176.870 0.010 0.000 1.078 189 L CA 1.448 56.282 54.840 -0.011 0.000 0.749 189 L CB -0.148 41.946 42.059 0.058 0.000 0.901 189 L HN 0.366 nan 8.230 nan 0.000 0.433 190 E N 0.349 120.574 120.200 0.042 0.000 2.049 190 E HA -0.288 4.062 4.350 -0.000 0.000 0.198 190 E C 2.195 178.777 176.600 -0.030 0.000 1.007 190 E CA 1.937 58.386 56.400 0.082 0.000 0.809 190 E CB -0.156 29.572 29.700 0.047 0.000 0.749 190 E HN 0.528 nan 8.360 nan 0.000 0.450 191 I N 0.570 121.017 120.570 -0.204 0.000 2.335 191 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 191 I C 2.278 178.332 176.117 -0.105 0.000 1.129 191 I CA 0.699 61.864 61.300 -0.226 0.000 1.402 191 I CB -0.329 37.463 38.000 -0.346 0.000 1.069 191 I HN 0.225 nan 8.210 nan 0.000 0.424 192 F N 1.816 121.612 119.950 -0.257 0.000 2.102 192 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 192 F C 2.640 178.240 175.800 -0.333 0.000 1.105 192 F CA 1.785 59.598 58.000 -0.312 0.000 1.239 192 F CB -0.731 38.009 39.000 -0.433 0.000 0.991 192 F HN 0.149 nan 8.300 nan 0.000 0.474 193 H N -0.432 118.357 119.070 -0.468 0.000 2.489 193 H HA -0.089 4.467 4.556 -0.000 0.000 0.293 193 H C 2.364 177.467 175.328 -0.375 0.000 1.066 193 H CA 1.734 57.443 56.048 -0.565 0.000 1.305 193 H CB -1.023 28.585 29.762 -0.256 0.000 1.386 193 H HN 0.415 nan 8.280 nan 0.000 0.551 194 T N -0.885 113.584 114.554 -0.141 0.000 3.085 194 T HA -0.008 4.342 4.350 -0.000 0.000 0.263 194 T C 1.588 176.225 174.700 -0.106 0.000 1.127 194 T CA 0.666 62.726 62.100 -0.067 0.000 1.103 194 T CB -0.536 68.338 68.868 0.010 0.000 0.921 194 T HN 0.514 nan 8.240 nan 0.000 0.510 195 I N -1.707 118.736 120.570 -0.212 0.000 3.966 195 I HA 0.718 4.888 4.170 -0.000 0.000 0.324 195 I C 0.454 176.437 176.117 -0.223 0.000 1.517 195 I CA -1.201 60.013 61.300 -0.144 0.000 1.117 195 I CB 0.119 38.093 38.000 -0.042 0.000 1.190 195 I HN 0.111 nan 8.210 nan 0.000 0.466 196 A N 1.436 123.951 122.820 -0.507 0.000 2.354 196 A HA 0.499 4.819 4.320 -0.000 0.000 0.269 196 A C 0.019 177.511 177.584 -0.152 0.000 1.109 196 A CA -0.244 51.440 52.037 -0.589 0.000 0.800 196 A CB 0.366 18.584 19.000 -1.303 0.000 1.045 196 A HN 0.542 nan 8.150 nan 0.000 0.489 197 Q N 2.516 122.376 119.800 0.099 0.000 2.569 197 Q HA 0.172 4.512 4.340 -0.000 0.000 0.226 197 Q C -1.917 174.168 176.000 0.142 0.000 1.136 197 Q CA -1.718 54.177 55.803 0.153 0.000 0.947 197 Q CB 0.757 29.640 28.738 0.241 0.000 1.218 197 Q HN 0.522 nan 8.270 nan 0.000 0.547 198 P HA -0.233 nan 4.420 nan 0.000 0.218 198 P C 1.025 178.331 177.300 0.009 0.000 1.150 198 P CA 1.543 64.672 63.100 0.049 0.000 0.841 198 P CB 0.092 31.812 31.700 0.033 0.000 0.784 199 T N -1.931 112.642 114.554 0.032 0.000 2.946 199 T HA -0.094 4.256 4.350 -0.000 0.000 0.271 199 T C 1.373 176.075 174.700 0.004 0.000 1.104 199 T CA 1.039 63.151 62.100 0.021 0.000 1.114 199 T CB -0.615 68.275 68.868 0.037 0.000 0.867 199 T HN 0.181 nan 8.240 nan 0.000 0.513 200 L N -0.791 120.438 121.223 0.011 0.000 2.858 200 L HA 0.340 4.680 4.340 -0.000 0.000 0.251 200 L C 0.785 177.554 176.870 -0.169 0.000 1.149 200 L CA -0.491 54.315 54.840 -0.057 0.000 0.955 200 L CB 0.125 42.191 42.059 0.013 0.000 1.289 200 L HN 0.025 nan 8.230 nan 0.000 0.542 201 K N 1.075 121.333 120.400 -0.236 0.000 2.550 201 K HA -0.124 4.196 4.320 -0.000 0.000 0.280 201 K C 0.056 176.446 176.600 -0.350 0.000 0.987 201 K CA 0.238 56.175 56.287 -0.583 0.000 1.048 201 K CB 0.092 32.182 32.500 -0.683 0.000 0.879 201 K HN 0.197 nan 8.250 nan 0.000 0.491 202 H N 1.382 120.270 119.070 -0.303 0.000 2.655 202 H HA -0.159 4.397 4.556 -0.000 0.000 0.313 202 H C 0.808 176.086 175.328 -0.082 0.000 1.141 202 H CA 1.338 57.318 56.048 -0.112 0.000 1.138 202 H CB -1.767 27.937 29.762 -0.098 0.000 1.446 202 H HN 0.874 nan 8.280 nan 0.000 0.415 203 T N -4.664 109.847 114.554 -0.071 0.000 2.978 203 T HA 0.063 4.413 4.350 -0.000 0.000 0.248 203 T C 0.724 175.433 174.700 0.015 0.000 1.018 203 T CA -0.234 61.840 62.100 -0.043 0.000 1.026 203 T CB 0.343 69.151 68.868 -0.099 0.000 1.032 203 T HN 0.102 nan 8.240 nan 0.000 0.485 204 Y N 2.242 122.457 120.300 -0.142 0.000 2.497 204 Y HA 0.621 5.171 4.550 -0.000 0.000 0.334 204 Y C 1.213 176.967 175.900 -0.244 0.000 1.199 204 Y CA -0.367 57.499 58.100 -0.390 0.000 1.425 204 Y CB 0.343 38.147 38.460 -1.093 0.000 1.291 204 Y HN 0.468 nan 8.280 nan 0.000 0.562 205 G N 1.122 109.977 108.800 0.092 0.000 2.870 205 G HA2 0.352 4.312 3.960 -0.000 0.000 0.299 205 G HA3 0.352 4.312 3.960 -0.000 0.000 0.299 205 G C -1.177 173.720 174.900 -0.004 0.000 1.324 205 G CA -0.951 44.298 45.100 0.248 0.000 0.808 205 G HN 0.513 nan 8.290 nan 0.000 0.535 206 E N -1.321 118.852 120.200 -0.045 0.000 2.428 206 E HA 0.396 4.746 4.350 -0.000 0.000 0.257 206 E C -0.007 176.535 176.600 -0.096 0.000 1.197 206 E CA -0.241 56.029 56.400 -0.217 0.000 0.974 206 E CB 1.012 30.674 29.700 -0.063 0.000 0.976 206 E HN 0.699 nan 8.360 nan 0.000 0.463 207 V N -1.018 118.790 119.914 -0.176 0.000 3.130 207 V HA 0.513 4.633 4.120 -0.000 0.000 0.310 207 V C -0.049 175.905 176.094 -0.235 0.000 1.158 207 V CA -0.460 61.731 62.300 -0.181 0.000 1.029 207 V CB 1.139 32.812 31.823 -0.251 0.000 1.057 207 V HN 0.881 nan 8.190 nan 0.000 0.436 208 T N -1.444 112.998 114.554 -0.187 0.000 2.900 208 T HA 0.126 4.476 4.350 -0.000 0.000 0.307 208 T C 0.593 175.199 174.700 -0.157 0.000 1.065 208 T CA 0.526 62.539 62.100 -0.145 0.000 1.105 208 T CB 0.352 69.186 68.868 -0.057 0.000 0.979 208 T HN 0.847 nan 8.240 nan 0.000 0.544 209 W N 1.012 122.271 121.300 -0.068 0.000 2.325 209 W HA -0.070 4.590 4.660 -0.000 0.000 0.299 209 W C 2.315 178.787 176.519 -0.079 0.000 1.215 209 W CA 1.007 58.313 57.345 -0.065 0.000 1.244 209 W CB -0.189 29.241 29.460 -0.050 0.000 1.140 209 W HN 0.820 nan 8.180 nan 0.000 0.523 210 E N -0.370 119.924 120.200 0.157 0.000 2.058 210 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 210 E C 1.866 178.453 176.600 -0.021 0.000 0.997 210 E CA 1.675 58.113 56.400 0.064 0.000 0.801 210 E CB -0.760 28.962 29.700 0.036 0.000 0.746 210 E HN 0.364 nan 8.360 nan 0.000 0.450 211 Q N -0.247 119.475 119.800 -0.130 0.000 2.230 211 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 211 Q C 1.897 177.661 176.000 -0.395 0.000 0.963 211 Q CA 0.479 56.113 55.803 -0.282 0.000 0.866 211 Q CB 0.025 28.505 28.738 -0.430 0.000 0.931 211 Q HN 0.237 nan 8.270 nan 0.000 0.452 212 L N 1.146 122.203 121.223 -0.276 0.000 2.005 212 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 212 L C 0.951 177.880 176.870 0.098 0.000 1.072 212 L CA 1.863 56.648 54.840 -0.091 0.000 0.744 212 L CB -0.281 41.769 42.059 -0.015 0.000 0.895 212 L HN 0.158 nan 8.230 nan 0.000 0.433 213 E N 0.490 120.761 120.200 0.118 0.000 2.357 213 E HA 0.098 4.448 4.350 -0.000 0.000 0.194 213 E C 0.411 177.051 176.600 0.067 0.000 1.177 213 E CA 0.233 56.702 56.400 0.115 0.000 0.998 213 E CB -0.368 29.399 29.700 0.112 0.000 1.106 213 E HN 0.504 nan 8.360 nan 0.000 0.470 214 A N 1.023 123.882 122.820 0.066 0.000 2.797 214 A HA 0.394 4.714 4.320 -0.000 0.000 0.296 214 A C 1.270 178.874 177.584 0.033 0.000 1.580 214 A CA 0.314 52.380 52.037 0.048 0.000 1.277 214 A CB -0.761 18.280 19.000 0.067 0.000 1.101 214 A HN 0.346 nan 8.150 nan 0.000 0.562 215 G N 1.483 110.289 108.800 0.010 0.000 2.221 215 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.265 215 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.265 215 G C 0.407 175.292 174.900 -0.024 0.000 1.041 215 G CA 0.338 45.422 45.100 -0.027 0.000 0.807 215 G HN 1.926 nan 8.290 nan 0.000 0.502 216 V N -2.491 117.439 119.914 0.026 0.000 3.625 216 V HA 0.379 4.499 4.120 -0.000 0.000 0.302 216 V C 1.013 177.127 176.094 0.035 0.000 1.112 216 V CA -0.333 61.997 62.300 0.051 0.000 1.173 216 V CB 0.844 32.717 31.823 0.084 0.000 1.096 216 V HN 0.335 nan 8.190 nan 0.000 0.486 217 N N 0.612 119.349 118.700 0.062 0.000 2.767 217 N HA 0.266 5.006 4.740 -0.000 0.000 0.238 217 N C 0.998 176.533 175.510 0.041 0.000 1.083 217 N CA -0.092 52.998 53.050 0.066 0.000 0.964 217 N CB 0.297 38.859 38.487 0.126 0.000 1.252 217 N HN 0.632 nan 8.380 nan 0.000 0.512 218 R N 1.433 121.949 120.500 0.026 0.000 2.127 218 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 218 R C 0.856 177.158 176.300 0.002 0.000 1.134 218 R CA 1.192 57.301 56.100 0.014 0.000 0.975 218 R CB 0.203 30.506 30.300 0.004 0.000 0.865 218 R HN 0.392 nan 8.270 nan 0.000 0.447 219 K N 0.533 120.932 120.400 -0.002 0.000 2.569 219 K HA 0.041 4.361 4.320 -0.000 0.000 0.193 219 K C 0.441 177.022 176.600 -0.032 0.000 1.026 219 K CA -0.112 56.164 56.287 -0.019 0.000 1.093 219 K CB 0.357 32.843 32.500 -0.023 0.000 0.849 219 K HN 0.158 nan 8.250 nan 0.000 0.509 220 G N 1.373 110.159 108.800 -0.024 0.000 2.305 220 G HA2 0.188 4.148 3.960 -0.000 0.000 0.243 220 G HA3 0.188 4.148 3.960 -0.000 0.000 0.243 220 G C 0.284 175.128 174.900 -0.094 0.000 1.288 220 G CA -0.122 44.942 45.100 -0.060 0.000 0.901 220 G HN 0.317 nan 8.290 nan 0.000 0.516 221 A N 2.000 124.700 122.820 -0.201 0.000 2.630 221 A HA 0.399 4.719 4.320 -0.000 0.000 0.248 221 A C 1.694 179.246 177.584 -0.054 0.000 1.149 221 A CA 1.187 53.095 52.037 -0.216 0.000 0.859 221 A CB 0.146 18.772 19.000 -0.622 0.000 1.073 221 A HN 1.952 nan 8.150 nan 0.000 0.525 222 A N -1.344 121.523 122.820 0.079 0.000 2.358 222 A HA 0.572 4.892 4.320 -0.000 0.000 0.223 222 A C 1.389 179.109 177.584 0.227 0.000 1.218 222 A CA 1.160 53.275 52.037 0.130 0.000 0.942 222 A CB -0.220 18.822 19.000 0.070 0.000 1.005 222 A HN 2.712 nan 8.150 nan 0.000 0.514 223 G N -1.338 107.690 108.800 0.381 0.000 1.742 223 G HA2 0.056 4.016 3.960 -0.000 0.000 0.185 223 G HA3 0.056 4.016 3.960 -0.000 0.000 0.185 223 G C 0.265 175.379 174.900 0.357 0.000 1.174 223 G CA 0.277 45.563 45.100 0.310 0.000 1.276 223 G HN 1.135 nan 8.290 nan 0.000 0.424 224 F N -1.220 118.821 119.950 0.151 0.000 1.683 224 F HA 0.180 4.707 4.527 -0.000 0.000 0.285 224 F C 0.805 176.626 175.800 0.036 0.000 1.232 224 F CA 0.744 58.792 58.000 0.080 0.000 1.270 224 F CB -0.597 38.434 39.000 0.052 0.000 1.982 224 F HN 0.240 nan 8.300 nan 0.000 0.136 225 L N 1.408 122.822 121.223 0.318 0.000 2.591 225 L HA 0.215 4.555 4.340 -0.000 0.000 0.228 225 L C 0.067 177.006 176.870 0.115 0.000 1.133 225 L CA 0.518 55.443 54.840 0.141 0.000 0.880 225 L CB -0.074 41.980 42.059 -0.008 0.000 1.033 225 L HN 0.195 nan 8.230 nan 0.000 0.450 226 E N 0.566 120.853 120.200 0.145 0.000 2.183 226 E HA 0.135 4.485 4.350 -0.000 0.000 0.271 226 E C 0.520 177.154 176.600 0.057 0.000 0.919 226 E CA -0.388 56.079 56.400 0.111 0.000 0.781 226 E CB 1.889 31.677 29.700 0.147 0.000 1.140 226 E HN 0.007 nan 8.360 nan 0.000 0.402 227 K N 3.560 123.983 120.400 0.038 0.000 2.020 227 K HA 0.062 4.382 4.320 -0.000 0.000 0.206 227 K C -0.058 176.552 176.600 0.017 0.000 1.038 227 K CA 0.666 56.962 56.287 0.014 0.000 0.947 227 K CB 0.163 32.667 32.500 0.007 0.000 0.744 227 K HN 0.316 nan 8.250 nan 0.000 0.442 228 K N 1.721 122.136 120.400 0.025 0.000 2.202 228 K HA 0.048 4.368 4.320 -0.000 0.000 0.264 228 K C -0.128 176.491 176.600 0.031 0.000 1.010 228 K CA -0.213 56.086 56.287 0.021 0.000 0.940 228 K CB 0.813 33.324 32.500 0.018 0.000 0.983 228 K HN 0.469 nan 8.250 nan 0.000 0.475 229 N N 0.806 119.517 118.700 0.019 0.000 2.604 229 N HA 0.334 5.074 4.740 -0.000 0.000 0.297 229 N C -0.383 175.140 175.510 0.022 0.000 1.266 229 N CA -0.900 52.163 53.050 0.021 0.000 0.961 229 N CB 0.692 39.181 38.487 0.004 0.000 1.166 229 N HN 0.293 nan 8.380 nan 0.000 0.601 230 I N 0.090 120.674 120.570 0.024 0.000 2.752 230 I HA -0.023 4.147 4.170 -0.000 0.000 0.287 230 I C 1.498 177.624 176.117 0.016 0.000 1.188 230 I CA 1.566 62.886 61.300 0.034 0.000 1.427 230 I CB 0.244 38.269 38.000 0.042 0.000 1.365 230 I HN 1.069 nan 8.210 nan 0.000 0.585 231 G N 4.401 113.206 108.800 0.008 0.000 4.365 231 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.214 231 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.214 231 G C 0.963 175.842 174.900 -0.034 0.000 1.450 231 G CA 0.361 45.451 45.100 -0.016 0.000 0.937 231 G HN 0.588 nan 8.290 nan 0.000 0.625 232 E N 0.409 120.596 120.200 -0.020 0.000 2.130 232 E HA -0.033 4.317 4.350 -0.000 0.000 0.196 232 E C 2.649 179.234 176.600 -0.027 0.000 0.998 232 E CA 1.611 57.998 56.400 -0.022 0.000 0.806 232 E CB -0.114 29.580 29.700 -0.010 0.000 0.738 232 E HN 0.454 nan 8.360 nan 0.000 0.459 233 V N 0.964 120.869 119.914 -0.015 0.000 2.453 233 V HA -0.216 3.903 4.120 -0.000 0.000 0.247 233 V C 2.207 178.252 176.094 -0.082 0.000 1.048 233 V CA 1.119 63.412 62.300 -0.012 0.000 1.049 233 V CB -0.372 31.473 31.823 0.037 0.000 0.672 233 V HN 0.277 nan 8.190 nan 0.000 0.457 234 L N 0.100 121.247 121.223 -0.125 0.000 1.990 234 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 234 L C 2.461 179.149 176.870 -0.302 0.000 1.072 234 L CA 1.976 56.634 54.840 -0.303 0.000 0.755 234 L CB -0.931 40.992 42.059 -0.226 0.000 0.889 234 L HN 0.363 nan 8.230 nan 0.000 0.432 235 D N -0.364 119.933 120.400 -0.171 0.000 2.078 235 D HA -0.123 4.517 4.640 -0.000 0.000 0.193 235 D C 2.271 178.514 176.300 -0.094 0.000 0.990 235 D CA 1.777 55.700 54.000 -0.128 0.000 0.827 235 D CB -0.234 40.520 40.800 -0.077 0.000 0.975 235 D HN 0.265 nan 8.370 nan 0.000 0.451 236 S N 0.675 116.340 115.700 -0.059 0.000 2.310 236 S HA -0.005 4.465 4.470 -0.000 0.000 0.205 236 S C 1.508 176.111 174.600 0.004 0.000 1.020 236 S CA 0.241 58.429 58.200 -0.020 0.000 0.939 236 S CB -0.369 62.827 63.200 -0.007 0.000 0.919 236 S HN 0.247 nan 8.310 nan 0.000 0.501 237 E N 1.546 121.751 120.200 0.009 0.000 2.438 237 E HA 0.074 4.424 4.350 -0.000 0.000 0.192 237 E C 1.340 177.970 176.600 0.050 0.000 1.110 237 E CA -0.125 56.303 56.400 0.047 0.000 0.893 237 E CB -0.060 29.673 29.700 0.055 0.000 0.990 237 E HN 0.335 nan 8.360 nan 0.000 0.490 238 K N 0.640 121.010 120.400 -0.050 0.000 2.000 238 K HA -0.252 4.068 4.320 -0.000 0.000 0.218 238 K C 1.840 178.475 176.600 0.058 0.000 1.053 238 K CA 1.526 57.716 56.287 -0.162 0.000 0.946 238 K CB -0.071 32.129 32.500 -0.499 0.000 0.723 238 K HN 0.312 nan 8.250 nan 0.000 0.446 239 H N 0.379 119.494 119.070 0.074 0.000 2.466 239 H HA -0.175 4.381 4.556 -0.000 0.000 0.297 239 H C 2.122 177.536 175.328 0.144 0.000 1.113 239 H CA 1.658 57.783 56.048 0.127 0.000 1.273 239 H CB -0.120 29.687 29.762 0.075 0.000 1.371 239 H HN 0.252 nan 8.280 nan 0.000 0.528 240 L N -0.346 121.012 121.223 0.225 0.000 2.056 240 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 240 L C 2.722 179.708 176.870 0.193 0.000 1.078 240 L CA 0.567 55.513 54.840 0.177 0.000 0.749 240 L CB -0.435 41.705 42.059 0.134 0.000 0.901 240 L HN 0.053 nan 8.230 nan 0.000 0.433 241 V N 0.271 120.327 119.914 0.236 0.000 2.282 241 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 241 V C 2.439 178.683 176.094 0.249 0.000 1.057 241 V CA 2.026 64.491 62.300 0.275 0.000 1.032 241 V CB -0.618 31.488 31.823 0.471 0.000 0.645 241 V HN 0.502 nan 8.190 nan 0.000 0.447 242 E N -0.080 120.290 120.200 0.283 0.000 2.049 242 E HA -0.363 3.987 4.350 -0.000 0.000 0.198 242 E C 2.248 178.966 176.600 0.198 0.000 1.007 242 E CA 1.764 58.301 56.400 0.229 0.000 0.809 242 E CB -0.280 29.567 29.700 0.245 0.000 0.749 242 E HN 0.598 nan 8.360 nan 0.000 0.450 243 Q N 1.052 120.965 119.800 0.188 0.000 2.226 243 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 243 Q C 1.957 178.042 176.000 0.143 0.000 0.975 243 Q CA 0.897 56.792 55.803 0.154 0.000 0.866 243 Q CB -0.136 28.683 28.738 0.134 0.000 0.915 243 Q HN 0.315 nan 8.270 nan 0.000 0.440 244 L N -1.081 120.231 121.223 0.150 0.000 2.023 244 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 244 L C 2.034 179.000 176.870 0.159 0.000 1.073 244 L CA 1.016 55.932 54.840 0.127 0.000 0.745 244 L CB -0.350 41.783 42.059 0.123 0.000 0.900 244 L HN 0.178 nan 8.230 nan 0.000 0.435 245 V N 0.084 120.135 119.914 0.229 0.000 2.220 245 V HA -0.403 3.717 4.120 -0.000 0.000 0.250 245 V C 2.633 178.961 176.094 0.390 0.000 1.056 245 V CA 2.396 64.930 62.300 0.391 0.000 1.016 245 V CB -0.740 31.268 31.823 0.310 0.000 0.639 245 V HN 0.500 nan 8.190 nan 0.000 0.446 246 R N -0.354 120.308 120.500 0.270 0.000 2.103 246 R HA -0.231 4.109 4.340 -0.000 0.000 0.242 246 R C 2.063 178.462 176.300 0.164 0.000 1.142 246 R CA 2.253 58.476 56.100 0.205 0.000 0.960 246 R CB -0.396 29.993 30.300 0.149 0.000 0.858 246 R HN 0.570 nan 8.270 nan 0.000 0.439 247 D N -0.070 120.412 120.400 0.136 0.000 2.097 247 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 247 D C 1.809 178.149 176.300 0.066 0.000 0.989 247 D CA 0.828 54.880 54.000 0.087 0.000 0.827 247 D CB -0.079 40.761 40.800 0.068 0.000 0.966 247 D HN 0.124 nan 8.370 nan 0.000 0.456 248 L N 0.943 122.188 121.223 0.037 0.000 2.083 248 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 248 L C 2.216 179.122 176.870 0.059 0.000 1.083 248 L CA 1.372 56.135 54.840 -0.129 0.000 0.752 248 L CB -1.047 40.601 42.059 -0.685 0.000 0.899 248 L HN 0.096 nan 8.230 nan 0.000 0.433 249 K N -0.012 120.583 120.400 0.326 0.000 2.025 249 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 249 K C 1.966 178.655 176.600 0.147 0.000 1.049 249 K CA 1.384 57.886 56.287 0.359 0.000 0.933 249 K CB 0.062 32.736 32.500 0.289 0.000 0.714 249 K HN 0.226 nan 8.250 nan 0.000 0.438 250 A N 0.319 123.198 122.820 0.099 0.000 2.121 250 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 250 A C 1.369 178.980 177.584 0.045 0.000 1.154 250 A CA 1.315 53.383 52.037 0.052 0.000 0.679 250 A CB -0.695 18.332 19.000 0.046 0.000 0.795 250 A HN 0.618 nan 8.150 nan 0.000 0.458 251 G N -0.736 108.094 108.800 0.051 0.000 2.176 251 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 251 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 251 G C 0.314 175.229 174.900 0.024 0.000 1.024 251 G CA 0.368 45.484 45.100 0.027 0.000 0.755 251 G HN 0.714 nan 8.290 nan 0.000 0.507 252 R N -0.356 120.164 120.500 0.034 0.000 2.783 252 R HA 0.395 4.735 4.340 -0.000 0.000 0.276 252 R C 0.608 176.940 176.300 0.054 0.000 1.223 252 R CA -0.140 55.983 56.100 0.038 0.000 1.173 252 R CB 0.459 30.783 30.300 0.040 0.000 1.157 252 R HN 0.280 nan 8.270 nan 0.000 0.600 253 K N 0.693 121.126 120.400 0.056 0.000 2.270 253 K HA 0.300 4.620 4.320 -0.000 0.000 0.276 253 K C -0.065 176.580 176.600 0.075 0.000 1.023 253 K CA 0.048 56.382 56.287 0.078 0.000 0.955 253 K CB 0.671 33.206 32.500 0.059 0.000 0.975 253 K HN 0.396 nan 8.250 nan 0.000 0.471 254 I N 0.804 121.429 120.570 0.091 0.000 3.095 254 I HA 0.207 4.377 4.170 -0.000 0.000 0.310 254 I C -1.092 175.015 176.117 -0.016 0.000 1.196 254 I CA -0.922 60.384 61.300 0.009 0.000 0.985 254 I CB 2.027 39.986 38.000 -0.068 0.000 1.250 254 I HN 0.482 nan 8.210 nan 0.000 0.446 255 K N 5.022 125.420 120.400 -0.002 0.000 2.805 255 K HA 0.194 4.514 4.320 -0.000 0.000 0.227 255 K C -1.203 175.443 176.600 0.077 0.000 1.207 255 K CA -0.438 55.876 56.287 0.044 0.000 1.153 255 K CB 0.216 32.757 32.500 0.069 0.000 1.688 255 K HN 0.347 nan 8.250 nan 0.000 0.467 256 Y N 2.209 122.384 120.300 -0.208 0.000 2.610 256 Y HA -0.005 4.545 4.550 -0.000 0.000 0.332 256 Y C -0.320 175.570 175.900 -0.016 0.000 1.201 256 Y CA 0.309 58.275 58.100 -0.223 0.000 1.465 256 Y CB 0.295 38.495 38.460 -0.432 0.000 1.283 256 Y HN 0.368 nan 8.280 nan 0.000 0.563 257 Y N 1.259 121.151 120.300 -0.681 0.000 2.662 257 Y HA 0.624 5.174 4.550 -0.000 0.000 0.334 257 Y C -1.832 173.668 175.900 -0.668 0.000 1.185 257 Y CA -1.478 56.320 58.100 -0.502 0.000 1.074 257 Y CB 0.997 39.269 38.460 -0.313 0.000 1.330 257 Y HN 0.541 nan 8.280 nan 0.000 0.458 258 E N 0.843 120.750 120.200 -0.487 0.000 2.288 258 E HA 0.574 4.924 4.350 -0.000 0.000 0.268 258 E C -1.345 175.036 176.600 -0.365 0.000 0.885 258 E CA -1.407 54.668 56.400 -0.541 0.000 0.767 258 E CB 2.477 31.965 29.700 -0.353 0.000 1.220 258 E HN 0.676 nan 8.360 nan 0.000 0.427 259 T N 1.163 115.381 114.554 -0.559 0.000 2.799 259 T HA 0.559 4.909 4.350 -0.000 0.000 0.286 259 T C -0.502 173.999 174.700 -0.331 0.000 0.973 259 T CA -0.679 61.151 62.100 -0.450 0.000 1.035 259 T CB 1.219 69.721 68.868 -0.609 0.000 0.932 259 T HN 0.462 nan 8.240 nan 0.000 0.469 260 A N 4.005 126.807 122.820 -0.030 0.000 2.288 260 A HA 0.845 5.165 4.320 -0.000 0.000 0.320 260 A C -0.169 177.655 177.584 0.401 0.000 1.217 260 A CA -0.908 51.276 52.037 0.244 0.000 0.840 260 A CB 0.217 19.427 19.000 0.351 0.000 1.179 260 A HN 0.986 nan 8.150 nan 0.000 0.504 261 I N 0.282 121.023 120.570 0.285 0.000 2.692 261 I HA 0.613 4.783 4.170 -0.000 0.000 0.293 261 I C -3.025 172.933 176.117 -0.265 0.000 1.200 261 I CA -2.642 58.571 61.300 -0.146 0.000 1.036 261 I CB 2.967 40.976 38.000 0.016 0.000 1.258 261 I HN 0.362 nan 8.210 nan 0.000 0.421 262 P HA 0.069 nan 4.420 nan 0.000 0.271 262 P C -1.145 176.084 177.300 -0.118 0.000 1.216 262 P CA -0.127 62.808 63.100 -0.274 0.000 0.776 262 P CB 1.041 32.535 31.700 -0.344 0.000 0.881 263 K N 3.135 123.526 120.400 -0.015 0.000 2.316 263 K HA 0.103 4.423 4.320 -0.000 0.000 0.289 263 K C 0.113 176.697 176.600 -0.027 0.000 1.070 263 K CA -0.443 55.833 56.287 -0.018 0.000 0.928 263 K CB -0.150 32.353 32.500 0.004 0.000 1.039 263 K HN 0.239 nan 8.250 nan 0.000 0.480 264 N N 4.563 123.239 118.700 -0.040 0.000 2.421 264 N HA -0.027 4.713 4.740 -0.000 0.000 0.260 264 N C -1.439 174.053 175.510 -0.029 0.000 1.173 264 N CA 0.014 53.042 53.050 -0.037 0.000 0.960 264 N CB 0.349 38.809 38.487 -0.044 0.000 1.273 264 N HN 0.667 nan 8.380 nan 0.000 0.497 265 E N 1.156 121.343 120.200 -0.022 0.000 2.412 265 E HA 0.343 4.693 4.350 -0.000 0.000 0.279 265 E C -1.222 175.367 176.600 -0.018 0.000 0.984 265 E CA -0.982 55.407 56.400 -0.018 0.000 0.788 265 E CB 0.973 30.663 29.700 -0.017 0.000 1.277 265 E HN 0.071 nan 8.360 nan 0.000 0.455 266 K N 1.256 121.646 120.400 -0.017 0.000 2.144 266 K HA 0.452 4.772 4.320 -0.000 0.000 0.270 266 K C -0.221 176.360 176.600 -0.032 0.000 1.005 266 K CA -0.260 56.012 56.287 -0.025 0.000 0.932 266 K CB 1.115 33.603 32.500 -0.020 0.000 1.021 266 K HN 0.342 nan 8.250 nan 0.000 0.462 267 R N 0.815 121.284 120.500 -0.052 0.000 2.837 267 R HA 0.243 4.583 4.340 -0.000 0.000 0.271 267 R C -1.053 175.175 176.300 -0.120 0.000 0.993 267 R CA -1.173 54.887 56.100 -0.066 0.000 0.931 267 R CB 1.307 31.578 30.300 -0.049 0.000 1.206 267 R HN 0.589 nan 8.270 nan 0.000 0.474 268 D N 0.944 121.271 120.400 -0.122 0.000 2.382 268 D HA 0.153 4.793 4.640 -0.000 0.000 0.245 268 D C 0.332 176.500 176.300 -0.219 0.000 1.120 268 D CA -0.059 53.835 54.000 -0.178 0.000 0.890 268 D CB 1.466 42.186 40.800 -0.134 0.000 1.201 268 D HN 0.359 nan 8.370 nan 0.000 0.433 269 V N 0.595 120.294 119.914 -0.358 0.000 3.265 269 V HA 0.200 4.320 4.120 -0.000 0.000 0.346 269 V C 1.455 177.299 176.094 -0.417 0.000 1.447 269 V CA 0.174 62.233 62.300 -0.401 0.000 1.179 269 V CB -0.106 31.341 31.823 -0.626 0.000 1.103 269 V HN 0.438 nan 8.190 nan 0.000 0.530 270 S N 1.398 116.918 115.700 -0.300 0.000 2.359 270 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 270 S C 1.633 176.189 174.600 -0.073 0.000 1.035 270 S CA 2.527 60.617 58.200 -0.184 0.000 1.018 270 S CB -0.238 62.877 63.200 -0.142 0.000 0.876 270 S HN 0.772 nan 8.310 nan 0.000 0.448 271 D N 1.283 121.645 120.400 -0.063 0.000 2.084 271 D HA -0.088 4.552 4.640 -0.000 0.000 0.194 271 D C 1.735 178.052 176.300 0.029 0.000 0.990 271 D CA 1.231 55.222 54.000 -0.014 0.000 0.826 271 D CB -0.654 40.136 40.800 -0.017 0.000 0.971 271 D HN 0.496 nan 8.370 nan 0.000 0.453 272 D N 0.353 120.769 120.400 0.027 0.000 2.157 272 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 272 D C 2.116 178.557 176.300 0.234 0.000 0.995 272 D CA 0.893 54.959 54.000 0.111 0.000 0.860 272 D CB -0.568 40.301 40.800 0.115 0.000 1.016 272 D HN 0.283 nan 8.370 nan 0.000 0.452 273 W N 1.335 122.631 121.300 -0.006 0.000 2.308 273 W HA -0.164 4.496 4.660 -0.000 0.000 0.301 273 W C 2.603 179.118 176.519 -0.007 0.000 1.220 273 W CA 0.504 57.846 57.345 -0.006 0.000 1.240 273 W CB -1.346 28.108 29.460 -0.010 0.000 1.142 273 W HN 0.224 nan 8.180 nan 0.000 0.521 274 Q N -0.093 119.842 119.800 0.225 0.000 2.268 274 Q HA -0.063 4.277 4.340 -0.000 0.000 0.210 274 Q C 0.532 176.588 176.000 0.095 0.000 0.988 274 Q CA 1.628 57.505 55.803 0.123 0.000 0.883 274 Q CB -0.280 28.497 28.738 0.067 0.000 0.911 274 Q HN 0.093 nan 8.270 nan 0.000 0.430 275 A N -1.770 121.112 122.820 0.102 0.000 2.343 275 A HA 0.595 4.915 4.320 -0.000 0.000 0.316 275 A C 1.085 178.712 177.584 0.073 0.000 1.104 275 A CA -0.197 51.882 52.037 0.070 0.000 0.768 275 A CB 0.839 19.873 19.000 0.057 0.000 1.213 275 A HN 0.326 nan 8.150 nan 0.000 0.456 276 G N 2.227 111.051 108.800 0.040 0.000 2.985 276 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.304 276 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.304 276 G C 0.289 175.200 174.900 0.018 0.000 1.164 276 G CA 1.766 46.876 45.100 0.017 0.000 0.988 276 G HN 0.975 nan 8.290 nan 0.000 0.737 277 D N 0.985 121.416 120.400 0.051 0.000 2.999 277 D HA 0.175 4.815 4.640 -0.000 0.000 0.276 277 D C 0.554 176.929 176.300 0.125 0.000 1.481 277 D CA 0.296 54.341 54.000 0.076 0.000 1.095 277 D CB -0.307 40.551 40.800 0.097 0.000 1.165 277 D HN 0.289 nan 8.370 nan 0.000 0.599 278 L N 2.702 123.918 121.223 -0.012 0.000 2.796 278 L HA 0.105 4.445 4.340 -0.000 0.000 0.235 278 L C 0.511 177.379 176.870 -0.004 0.000 1.344 278 L CA -0.849 53.849 54.840 -0.237 0.000 1.245 278 L CB -0.302 41.484 42.059 -0.456 0.000 1.556 278 L HN 0.335 nan 8.230 nan 0.000 0.423 279 V N -1.449 118.638 119.914 0.289 0.000 3.230 279 V HA -0.066 4.054 4.120 -0.000 0.000 0.302 279 V C 0.976 177.294 176.094 0.374 0.000 1.158 279 V CA 0.158 62.623 62.300 0.274 0.000 1.279 279 V CB 1.346 33.311 31.823 0.236 0.000 0.983 279 V HN 0.209 nan 8.190 nan 0.000 0.506 280 V N 3.301 123.344 119.914 0.215 0.000 3.556 280 V HA 0.314 4.434 4.120 -0.000 0.000 0.287 280 V C 0.585 176.766 176.094 0.145 0.000 1.422 280 V CA 1.033 63.453 62.300 0.199 0.000 1.038 280 V CB -0.568 31.318 31.823 0.105 0.000 0.850 280 V HN 1.208 nan 8.190 nan 0.000 0.437 281 E N -0.473 119.795 120.200 0.114 0.000 2.437 281 E HA 0.561 4.911 4.350 -0.000 0.000 0.280 281 E C -1.081 175.553 176.600 0.058 0.000 1.044 281 E CA -1.026 55.415 56.400 0.068 0.000 0.826 281 E CB 2.337 32.068 29.700 0.052 0.000 1.358 281 E HN 0.029 nan 8.360 nan 0.000 0.459 282 K N 0.742 121.164 120.400 0.037 0.000 2.477 282 K HA 0.373 4.693 4.320 -0.000 0.000 0.255 282 K C -0.774 175.849 176.600 0.038 0.000 0.952 282 K CA -1.030 55.277 56.287 0.033 0.000 0.826 282 K CB 1.920 34.427 32.500 0.012 0.000 1.331 282 K HN 0.657 nan 8.250 nan 0.000 0.437 283 R N 2.133 122.660 120.500 0.045 0.000 2.758 283 R HA 0.140 4.480 4.340 -0.000 0.000 0.263 283 R C -2.284 174.055 176.300 0.064 0.000 1.010 283 R CA -0.728 55.408 56.100 0.060 0.000 1.114 283 R CB -0.266 30.069 30.300 0.058 0.000 0.985 283 R HN 0.296 nan 8.270 nan 0.000 0.439 284 P HA 0.252 nan 4.420 nan 0.000 0.285 284 P C -1.057 176.310 177.300 0.112 0.000 1.269 284 P CA -0.831 62.324 63.100 0.091 0.000 0.844 284 P CB 1.202 32.963 31.700 0.102 0.000 1.094 285 R N 0.252 120.806 120.500 0.090 0.000 2.390 285 R HA 0.352 4.692 4.340 -0.000 0.000 0.291 285 R C -0.002 176.390 176.300 0.153 0.000 1.070 285 R CA -0.709 55.451 56.100 0.100 0.000 1.014 285 R CB 0.792 31.132 30.300 0.067 0.000 1.007 285 R HN 0.350 nan 8.270 nan 0.000 0.466 286 V N 4.163 124.198 119.914 0.201 0.000 2.383 286 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 286 V C 0.026 176.267 176.094 0.244 0.000 1.036 286 V CA -0.546 61.944 62.300 0.317 0.000 0.889 286 V CB 0.749 32.812 31.823 0.399 0.000 0.985 286 V HN 0.587 nan 8.190 nan 0.000 0.459 287 I N 6.002 126.714 120.570 0.237 0.000 2.396 287 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 287 I C 0.132 176.418 176.117 0.282 0.000 0.999 287 I CA -0.226 61.209 61.300 0.226 0.000 1.310 287 I CB 1.420 39.540 38.000 0.200 0.000 1.404 287 I HN 0.688 nan 8.210 nan 0.000 0.496 288 Q N 6.569 126.511 119.800 0.237 0.000 2.337 288 Q HA 0.556 4.896 4.340 -0.000 0.000 0.270 288 Q C -1.582 174.518 176.000 0.166 0.000 1.043 288 Q CA -0.787 55.098 55.803 0.136 0.000 0.794 288 Q CB 2.552 31.361 28.738 0.119 0.000 1.281 288 Q HN 0.585 nan 8.270 nan 0.000 0.446 289 Y N -0.953 119.347 120.300 -0.001 0.000 2.581 289 Y HA 0.717 5.267 4.550 -0.000 0.000 0.337 289 Y C -3.237 172.581 175.900 -0.136 0.000 1.108 289 Y CA -3.223 54.859 58.100 -0.030 0.000 1.033 289 Y CB 0.876 39.333 38.460 -0.005 0.000 1.318 289 Y HN 0.363 nan 8.280 nan 0.000 0.459 290 P HA 0.151 nan 4.420 nan 0.000 0.274 290 P C -0.622 176.638 177.300 -0.067 0.000 1.237 290 P CA -0.350 62.628 63.100 -0.203 0.000 0.793 290 P CB 0.737 32.442 31.700 0.008 0.000 0.977 291 E N 0.511 120.556 120.200 -0.260 0.000 2.442 291 E HA 0.023 4.373 4.350 -0.000 0.000 0.262 291 E C 1.218 177.852 176.600 0.056 0.000 1.004 291 E CA -0.080 56.271 56.400 -0.083 0.000 0.928 291 E CB 0.417 30.037 29.700 -0.134 0.000 0.937 291 E HN 0.413 nan 8.360 nan 0.000 0.446 292 A N 4.813 127.697 122.820 0.107 0.000 1.948 292 A HA -0.270 4.049 4.320 -0.000 0.000 0.220 292 A C 1.808 179.455 177.584 0.105 0.000 1.177 292 A CA 1.804 53.901 52.037 0.099 0.000 0.636 292 A CB -0.225 18.827 19.000 0.086 0.000 0.815 292 A HN 0.652 nan 8.150 nan 0.000 0.449 293 K N -1.381 119.079 120.400 0.100 0.000 2.025 293 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 293 K C 2.175 178.849 176.600 0.124 0.000 1.049 293 K CA 1.686 58.047 56.287 0.122 0.000 0.933 293 K CB -0.403 32.163 32.500 0.110 0.000 0.714 293 K HN 0.468 nan 8.250 nan 0.000 0.438 294 T N 0.881 115.488 114.554 0.088 0.000 2.788 294 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 294 T C 1.808 176.577 174.700 0.115 0.000 1.044 294 T CA 1.157 63.311 62.100 0.091 0.000 1.139 294 T CB -0.087 68.817 68.868 0.060 0.000 0.867 294 T HN 0.221 nan 8.240 nan 0.000 0.454 295 R N 0.066 120.633 120.500 0.111 0.000 2.081 295 R HA -0.031 4.308 4.340 -0.000 0.000 0.235 295 R C 2.221 178.593 176.300 0.120 0.000 1.131 295 R CA 0.966 57.136 56.100 0.117 0.000 0.960 295 R CB -0.422 29.943 30.300 0.108 0.000 0.856 295 R HN 0.241 nan 8.270 nan 0.000 0.436 296 L N 0.307 121.615 121.223 0.142 0.000 1.994 296 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 296 L C 2.487 179.414 176.870 0.094 0.000 1.071 296 L CA 1.981 56.920 54.840 0.165 0.000 0.745 296 L CB -1.129 41.103 42.059 0.288 0.000 0.892 296 L HN 0.153 nan 8.230 nan 0.000 0.431 297 A N -0.323 122.572 122.820 0.124 0.000 1.892 297 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 297 A C 2.329 180.006 177.584 0.155 0.000 1.188 297 A CA 2.120 54.232 52.037 0.124 0.000 0.631 297 A CB -0.829 18.277 19.000 0.178 0.000 0.822 297 A HN 0.379 nan 8.150 nan 0.000 0.447 298 I N -0.560 120.121 120.570 0.186 0.000 2.076 298 I HA -0.257 3.913 4.170 -0.000 0.000 0.237 298 I C 2.537 178.687 176.117 0.054 0.000 1.059 298 I CA 1.980 63.400 61.300 0.201 0.000 1.317 298 I CB -0.945 37.148 38.000 0.155 0.000 1.037 298 I HN 0.262 nan 8.210 nan 0.000 0.398 299 T N 0.267 114.852 114.554 0.052 0.000 2.897 299 T HA -0.224 4.126 4.350 -0.000 0.000 0.271 299 T C 1.823 176.536 174.700 0.020 0.000 1.084 299 T CA 1.235 63.360 62.100 0.042 0.000 1.123 299 T CB -0.236 68.681 68.868 0.083 0.000 0.865 299 T HN 0.297 nan 8.240 nan 0.000 0.496 300 K N 0.919 121.267 120.400 -0.087 0.000 2.103 300 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 300 K C 2.254 178.673 176.600 -0.301 0.000 1.052 300 K CA 1.060 57.207 56.287 -0.234 0.000 0.945 300 K CB 0.032 32.277 32.500 -0.425 0.000 0.722 300 K HN 0.375 nan 8.250 nan 0.000 0.443 301 V N -1.928 117.732 119.914 -0.423 0.000 3.307 301 V HA 0.155 4.275 4.120 -0.000 0.000 0.253 301 V C 1.251 177.015 176.094 -0.551 0.000 1.149 301 V CA 0.463 62.309 62.300 -0.758 0.000 1.112 301 V CB 0.081 30.956 31.823 -1.580 0.000 0.777 301 V HN 0.142 nan 8.190 nan 0.000 0.464 302 M N -1.042 118.352 119.600 -0.344 0.000 2.560 302 M HA 0.285 4.765 4.480 -0.000 0.000 0.297 302 M C 1.334 177.648 176.300 0.023 0.000 1.201 302 M CA -0.128 55.078 55.300 -0.157 0.000 0.973 302 M CB 0.083 32.542 32.600 -0.235 0.000 1.401 302 M HN 0.429 nan 8.290 nan 0.000 0.497 303 Y N 2.072 122.301 120.300 -0.118 0.000 2.102 303 Y HA -0.350 4.200 4.550 -0.000 0.000 0.280 303 Y C 1.644 177.451 175.900 -0.156 0.000 1.178 303 Y CA 2.391 60.419 58.100 -0.121 0.000 1.146 303 Y CB -0.240 38.138 38.460 -0.137 0.000 0.968 303 Y HN 0.358 nan 8.280 nan 0.000 0.504 304 N N -0.957 117.683 118.700 -0.100 0.000 2.120 304 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 304 N C 1.760 176.995 175.510 -0.458 0.000 1.024 304 N CA 1.404 54.198 53.050 -0.427 0.000 0.852 304 N CB -0.572 37.310 38.487 -1.009 0.000 1.003 304 N HN 0.613 nan 8.380 nan 0.000 0.424 305 W N 0.872 121.942 121.300 -0.382 0.000 2.480 305 W HA 0.023 4.683 4.660 0.000 0.000 0.299 305 W C 1.425 177.799 176.519 -0.243 0.000 1.187 305 W CA 0.508 57.712 57.345 -0.235 0.000 1.347 305 W CB -0.451 29.028 29.460 0.032 0.000 1.121 305 W HN -0.154 nan 8.180 nan 0.000 0.533 306 V N 2.004 121.782 119.914 -0.228 0.000 2.295 306 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 306 V C 2.100 177.928 176.094 -0.443 0.000 1.049 306 V CA 2.168 64.271 62.300 -0.328 0.000 1.024 306 V CB -0.715 31.032 31.823 -0.127 0.000 0.648 306 V HN -0.085 nan 8.190 nan 0.000 0.447 307 K N -0.642 119.447 120.400 -0.518 0.000 2.459 307 K HA 0.100 4.420 4.320 -0.000 0.000 0.193 307 K C 0.910 177.271 176.600 -0.398 0.000 1.030 307 K CA 0.089 56.072 56.287 -0.506 0.000 1.026 307 K CB -0.130 31.858 32.500 -0.855 0.000 0.809 307 K HN 0.317 nan 8.250 nan 0.000 0.504 308 Q N 0.471 119.978 119.800 -0.488 0.000 2.481 308 Q HA -0.224 4.116 4.340 -0.000 0.000 0.272 308 Q C -0.878 174.974 176.000 -0.247 0.000 1.157 308 Q CA 0.723 56.246 55.803 -0.467 0.000 0.935 308 Q CB -1.535 26.820 28.738 -0.639 0.000 1.338 308 Q HN 0.438 nan 8.270 nan 0.000 0.494 309 Q N 0.925 120.598 119.800 -0.211 0.000 2.300 309 Q HA 0.150 4.490 4.340 -0.000 0.000 0.280 309 Q C -1.972 173.990 176.000 -0.063 0.000 1.033 309 Q CA -0.592 55.168 55.803 -0.072 0.000 0.903 309 Q CB 0.404 29.146 28.738 0.007 0.000 1.195 309 Q HN 0.070 nan 8.270 nan 0.000 0.386 310 P HA -0.148 nan 4.420 nan 0.000 0.014 310 P C -0.676 176.621 177.300 -0.005 0.000 0.534 310 P CA 0.159 63.295 63.100 0.059 0.000 1.035 310 P CB -1.000 30.806 31.700 0.176 0.000 1.909 311 V N 1.277 121.176 119.914 -0.025 0.000 2.506 311 V HA -0.072 4.048 4.120 -0.000 0.000 0.296 311 V C 2.006 178.070 176.094 -0.050 0.000 1.004 311 V CA 1.369 63.627 62.300 -0.070 0.000 1.150 311 V CB 0.555 32.406 31.823 0.048 0.000 0.911 311 V HN 0.468 nan 8.190 nan 0.000 0.476 312 V N 3.419 123.257 119.914 -0.126 0.000 3.276 312 V HA 0.480 4.600 4.120 -0.000 0.000 0.319 312 V C 0.320 176.416 176.094 0.004 0.000 1.427 312 V CA 0.100 62.382 62.300 -0.030 0.000 1.102 312 V CB -0.139 31.626 31.823 -0.096 0.000 1.020 312 V HN 0.573 nan 8.190 nan 0.000 0.456 313 I N 2.623 123.146 120.570 -0.077 0.000 2.330 313 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 313 I C -2.440 173.708 176.117 0.052 0.000 1.001 313 I CA -2.198 59.090 61.300 -0.020 0.000 1.193 313 I CB 1.880 39.795 38.000 -0.142 0.000 1.345 313 I HN 0.038 nan 8.210 nan 0.000 0.461 314 P HA 0.008 nan 4.420 nan 0.000 0.257 314 P C 0.861 178.161 177.300 0.001 0.000 1.189 314 P CA 0.792 63.903 63.100 0.019 0.000 0.780 314 P CB 0.341 32.041 31.700 0.000 0.000 0.772 315 G N 2.775 111.561 108.800 -0.023 0.000 2.179 315 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 315 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 315 G C 0.004 174.953 174.900 0.082 0.000 0.977 315 G CA -0.350 44.706 45.100 -0.074 0.000 0.641 315 G HN 0.566 nan 8.290 nan 0.000 0.533 316 Y N 1.531 121.825 120.300 -0.010 0.000 2.713 316 Y HA 0.444 4.994 4.550 -0.000 0.000 0.341 316 Y C 1.064 176.986 175.900 0.037 0.000 1.167 316 Y CA 0.499 58.599 58.100 -0.000 0.000 1.503 316 Y CB 0.659 39.079 38.460 -0.066 0.000 1.199 316 Y HN 0.154 nan 8.280 nan 0.000 0.525 317 E N 3.150 123.201 120.200 -0.248 0.000 2.651 317 E HA 0.266 4.616 4.350 -0.000 0.000 0.208 317 E C 1.188 177.574 176.600 -0.356 0.000 0.997 317 E CA 0.329 56.631 56.400 -0.163 0.000 1.020 317 E CB 0.097 29.886 29.700 0.148 0.000 1.052 317 E HN 0.839 nan 8.360 nan 0.000 0.465 318 G N 0.707 109.038 108.800 -0.781 0.000 3.383 318 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.251 318 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.251 318 G C 0.693 175.388 174.900 -0.342 0.000 1.203 318 G CA -0.117 44.656 45.100 -0.545 0.000 0.852 318 G HN 0.167 nan 8.290 nan 0.000 0.531 319 K N -1.182 119.060 120.400 -0.265 0.000 2.412 319 K HA 0.241 4.561 4.320 -0.000 0.000 0.202 319 K C 0.495 177.039 176.600 -0.094 0.000 1.102 319 K CA 0.014 56.256 56.287 -0.075 0.000 1.027 319 K CB 0.609 33.147 32.500 0.064 0.000 0.931 319 K HN -0.007 nan 8.250 nan 0.000 0.557 320 T N 3.337 117.800 114.554 -0.152 0.000 2.837 320 T HA 0.350 4.700 4.350 -0.000 0.000 0.285 320 T C -2.626 171.894 174.700 -0.301 0.000 0.984 320 T CA -1.621 60.370 62.100 -0.181 0.000 1.049 320 T CB 1.316 70.092 68.868 -0.153 0.000 0.947 320 T HN -0.112 nan 8.240 nan 0.000 0.472 321 P HA 0.163 nan 4.420 nan 0.000 0.271 321 P C 0.914 177.680 177.300 -0.890 0.000 1.226 321 P CA -0.383 62.246 63.100 -0.784 0.000 0.765 321 P CB 0.443 31.394 31.700 -1.247 0.000 0.835 322 L N 2.408 123.224 121.223 -0.678 0.000 2.551 322 L HA -0.156 4.184 4.340 -0.000 0.000 0.230 322 L C 1.422 178.040 176.870 -0.419 0.000 1.163 322 L CA 1.658 56.186 54.840 -0.520 0.000 0.826 322 L CB -0.743 41.050 42.059 -0.443 0.000 0.943 322 L HN 0.468 nan 8.230 nan 0.000 0.452 323 F N -0.310 119.529 119.950 -0.184 0.000 2.416 323 F HA -0.010 4.516 4.527 -0.000 0.000 0.296 323 F C 1.673 177.432 175.800 -0.067 0.000 1.099 323 F CA 0.502 58.421 58.000 -0.135 0.000 1.427 323 F CB -0.953 37.941 39.000 -0.177 0.000 1.079 323 F HN 0.204 nan 8.300 nan 0.000 0.536 324 N N -0.049 118.680 118.700 0.049 0.000 2.187 324 N HA 0.109 4.849 4.740 -0.000 0.000 0.212 324 N C 1.337 176.835 175.510 -0.020 0.000 1.152 324 N CA 0.006 53.115 53.050 0.098 0.000 0.872 324 N CB -0.471 38.109 38.487 0.156 0.000 1.025 324 N HN 0.401 nan 8.380 nan 0.000 0.514 325 I N -0.073 120.400 120.570 -0.162 0.000 2.179 325 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 325 I C 0.845 176.842 176.117 -0.200 0.000 1.088 325 I CA 1.413 62.569 61.300 -0.241 0.000 1.357 325 I CB -0.073 37.685 38.000 -0.404 0.000 1.051 325 I HN 0.083 nan 8.210 nan 0.000 0.409 326 F N 0.944 120.895 119.950 0.001 0.000 2.641 326 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 326 F C 2.080 177.926 175.800 0.077 0.000 1.146 326 F CA 0.462 58.480 58.000 0.030 0.000 1.464 326 F CB -0.249 38.755 39.000 0.006 0.000 1.101 326 F HN 0.192 nan 8.300 nan 0.000 0.585 327 D N 0.674 121.193 120.400 0.199 0.000 2.120 327 D HA -0.136 4.504 4.640 -0.000 0.000 0.202 327 D C 2.248 178.598 176.300 0.084 0.000 0.972 327 D CA 1.170 55.257 54.000 0.146 0.000 0.837 327 D CB -0.242 40.638 40.800 0.134 0.000 0.989 327 D HN 0.358 nan 8.370 nan 0.000 0.469 328 K N 1.072 121.510 120.400 0.063 0.000 2.057 328 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 328 K C 2.023 178.682 176.600 0.098 0.000 1.049 328 K CA 1.083 57.408 56.287 0.063 0.000 0.931 328 K CB -0.488 32.038 32.500 0.045 0.000 0.714 328 K HN -0.052 nan 8.250 nan 0.000 0.440 329 V N 1.672 121.646 119.914 0.099 0.000 2.407 329 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 329 V C 2.673 178.935 176.094 0.281 0.000 1.055 329 V CA 1.973 64.396 62.300 0.205 0.000 1.049 329 V CB -0.744 31.198 31.823 0.199 0.000 0.662 329 V HN 0.371 nan 8.190 nan 0.000 0.455 330 R N 0.941 121.501 120.500 0.100 0.000 2.096 330 R HA -0.162 4.178 4.340 -0.000 0.000 0.240 330 R C 2.220 178.470 176.300 -0.085 0.000 1.139 330 R CA 1.646 57.506 56.100 -0.400 0.000 0.952 330 R CB -0.496 29.462 30.300 -0.570 0.000 0.854 330 R HN 0.361 nan 8.270 nan 0.000 0.436 331 K N 0.928 121.340 120.400 0.020 0.000 1.975 331 K HA -0.220 4.100 4.320 -0.000 0.000 0.225 331 K C 1.910 178.597 176.600 0.146 0.000 1.050 331 K CA 2.333 58.661 56.287 0.067 0.000 0.992 331 K CB -0.814 31.729 32.500 0.071 0.000 0.738 331 K HN 0.433 nan 8.250 nan 0.000 0.446 332 E N -0.110 120.211 120.200 0.201 0.000 2.200 332 E HA -0.268 4.082 4.350 -0.000 0.000 0.211 332 E C 1.834 178.693 176.600 0.432 0.000 1.048 332 E CA 1.590 58.173 56.400 0.305 0.000 0.851 332 E CB -0.377 29.534 29.700 0.350 0.000 0.747 332 E HN 0.517 nan 8.360 nan 0.000 0.462 333 W N 2.256 123.662 121.300 0.178 0.000 2.355 333 W HA -0.196 4.464 4.660 -0.000 0.000 0.309 333 W C 1.272 177.891 176.519 0.167 0.000 1.206 333 W CA 1.628 59.060 57.345 0.144 0.000 1.284 333 W CB -0.177 29.331 29.460 0.080 0.000 1.145 333 W HN 0.061 nan 8.180 nan 0.000 0.502 334 D N 0.112 120.658 120.400 0.242 0.000 2.263 334 D HA -0.171 4.469 4.640 -0.000 0.000 0.208 334 D C 2.327 178.668 176.300 0.069 0.000 0.971 334 D CA 1.853 55.927 54.000 0.123 0.000 0.867 334 D CB -0.418 40.437 40.800 0.091 0.000 0.929 334 D HN 0.239 nan 8.370 nan 0.000 0.492 335 S N -0.284 115.471 115.700 0.091 0.000 2.423 335 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 335 S C 0.888 175.397 174.600 -0.151 0.000 1.014 335 S CA 0.131 58.300 58.200 -0.051 0.000 0.965 335 S CB -0.460 62.656 63.200 -0.139 0.000 0.785 335 S HN 0.050 nan 8.310 nan 0.000 0.495 336 F N 2.215 122.066 119.950 -0.164 0.000 2.378 336 F HA 0.408 4.935 4.527 -0.000 0.000 0.319 336 F C 1.744 177.437 175.800 -0.179 0.000 1.155 336 F CA -0.843 57.041 58.000 -0.192 0.000 1.157 336 F CB 0.447 39.276 39.000 -0.286 0.000 1.252 336 F HN -0.004 nan 8.300 nan 0.000 0.550 337 N N 0.315 119.042 118.700 0.046 0.000 2.105 337 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 337 N C -0.005 175.493 175.510 -0.019 0.000 1.066 337 N CA 0.659 53.711 53.050 0.003 0.000 0.861 337 N CB -0.031 38.459 38.487 0.004 0.000 1.048 337 N HN 0.559 nan 8.380 nan 0.000 0.442 338 E N 1.605 121.792 120.200 -0.022 0.000 2.267 338 E HA 0.270 4.620 4.350 -0.000 0.000 0.241 338 E C -2.529 173.970 176.600 -0.168 0.000 0.950 338 E CA -2.358 54.011 56.400 -0.051 0.000 0.776 338 E CB 1.031 30.739 29.700 0.013 0.000 1.207 338 E HN 0.078 nan 8.360 nan 0.000 0.436 339 P HA 0.069 nan 4.420 nan 0.000 0.272 339 P C -1.017 175.843 177.300 -0.733 0.000 1.254 339 P CA -0.351 62.181 63.100 -0.947 0.000 0.795 339 P CB 0.796 31.227 31.700 -2.114 0.000 1.022 340 V N -0.853 118.616 119.914 -0.742 0.000 3.106 340 V HA 0.552 4.672 4.120 -0.000 0.000 0.280 340 V C -1.426 174.705 176.094 0.062 0.000 1.525 340 V CA -0.627 61.576 62.300 -0.161 0.000 0.999 340 V CB 2.068 33.756 31.823 -0.226 0.000 1.186 340 V HN 0.671 nan 8.190 nan 0.000 0.448 341 A N 3.687 126.668 122.820 0.269 0.000 2.343 341 A HA 0.912 5.232 4.320 -0.000 0.000 0.316 341 A C -1.183 176.487 177.584 0.143 0.000 1.104 341 A CA -0.536 51.660 52.037 0.265 0.000 0.768 341 A CB 1.766 20.922 19.000 0.260 0.000 1.213 341 A HN 0.918 nan 8.150 nan 0.000 0.456 342 V N 2.192 122.227 119.914 0.200 0.000 2.459 342 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 342 V C 0.249 176.448 176.094 0.174 0.000 1.029 342 V CA -0.491 61.933 62.300 0.206 0.000 0.874 342 V CB 1.660 33.714 31.823 0.386 0.000 0.985 342 V HN 0.892 nan 8.190 nan 0.000 0.438 343 S N 4.604 120.368 115.700 0.107 0.000 2.508 343 S HA 0.660 5.130 4.470 -0.000 0.000 0.284 343 S C -0.432 174.288 174.600 0.200 0.000 1.192 343 S CA -0.427 57.803 58.200 0.051 0.000 1.070 343 S CB 0.676 63.900 63.200 0.040 0.000 1.004 343 S HN 0.467 nan 8.310 nan 0.000 0.493 344 F N 1.498 121.584 119.950 0.226 0.000 2.399 344 F HA 0.347 4.874 4.527 0.000 0.000 0.342 344 F C 0.795 176.682 175.800 0.145 0.000 1.106 344 F CA -0.584 57.529 58.000 0.190 0.000 1.196 344 F CB 0.736 39.849 39.000 0.188 0.000 1.163 344 F HN 0.482 nan 8.300 nan 0.000 0.547 345 D N 1.548 122.147 120.400 0.332 0.000 2.934 345 D HA 0.132 4.772 4.640 -0.000 0.000 0.249 345 D C -0.925 175.493 176.300 0.197 0.000 1.293 345 D CA -0.142 53.987 54.000 0.216 0.000 0.812 345 D CB 0.647 41.538 40.800 0.152 0.000 1.439 345 D HN 0.292 nan 8.370 nan 0.000 0.555 346 T N 2.117 116.814 114.554 0.239 0.000 2.910 346 T HA 0.294 4.644 4.350 -0.000 0.000 0.293 346 T C 0.116 174.930 174.700 0.190 0.000 1.015 346 T CA -0.617 61.627 62.100 0.239 0.000 1.094 346 T CB 0.950 70.069 68.868 0.418 0.000 0.968 346 T HN 0.137 nan 8.240 nan 0.000 0.521 347 K N 1.486 121.961 120.400 0.125 0.000 2.248 347 K HA 0.553 4.873 4.320 -0.000 0.000 0.281 347 K C 0.286 176.939 176.600 0.089 0.000 1.054 347 K CA -0.602 55.739 56.287 0.091 0.000 0.903 347 K CB 0.846 33.375 32.500 0.048 0.000 1.077 347 K HN 0.843 nan 8.250 nan 0.000 0.474 348 A N 3.658 126.544 122.820 0.111 0.000 2.466 348 A HA -0.165 4.154 4.320 -0.000 0.000 0.295 348 A C 1.071 178.732 177.584 0.127 0.000 1.465 348 A CA 0.758 52.859 52.037 0.107 0.000 0.744 348 A CB -2.087 16.942 19.000 0.050 0.000 1.098 348 A HN 1.100 nan 8.150 nan 0.000 0.402 349 W N 1.044 122.360 121.300 0.027 0.000 2.280 349 W HA -0.311 4.349 4.660 0.000 0.000 0.332 349 W C 1.232 177.767 176.519 0.027 0.000 1.300 349 W CA 2.555 59.918 57.345 0.029 0.000 1.274 349 W CB -0.444 29.043 29.460 0.045 0.000 1.141 349 W HN 0.673 nan 8.180 nan 0.000 0.474 350 D N -0.458 120.070 120.400 0.213 0.000 2.158 350 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 350 D C 2.076 178.346 176.300 -0.050 0.000 0.995 350 D CA 2.337 56.401 54.000 0.107 0.000 0.846 350 D CB -0.782 40.129 40.800 0.185 0.000 0.941 350 D HN 0.107 nan 8.370 nan 0.000 0.456 351 T N -0.399 114.131 114.554 -0.039 0.000 3.113 351 T HA -0.082 4.268 4.350 -0.000 0.000 0.263 351 T C 1.493 176.115 174.700 -0.130 0.000 1.143 351 T CA 0.699 62.763 62.100 -0.061 0.000 1.090 351 T CB 0.159 69.008 68.868 -0.032 0.000 0.922 351 T HN -0.029 nan 8.240 nan 0.000 0.521 352 Q N -0.001 119.658 119.800 -0.235 0.000 2.352 352 Q HA 0.244 4.584 4.340 -0.000 0.000 0.212 352 Q C 0.218 175.992 176.000 -0.377 0.000 0.888 352 Q CA 0.006 55.626 55.803 -0.304 0.000 0.934 352 Q CB 0.590 29.108 28.738 -0.366 0.000 1.093 352 Q HN 0.244 nan 8.270 nan 0.000 0.523 353 V N 1.715 121.381 119.914 -0.414 0.000 2.493 353 V HA 0.012 4.132 4.120 -0.000 0.000 0.292 353 V C 0.719 176.705 176.094 -0.181 0.000 1.016 353 V CA 0.352 62.450 62.300 -0.336 0.000 1.097 353 V CB 0.698 32.387 31.823 -0.224 0.000 0.947 353 V HN 0.157 nan 8.190 nan 0.000 0.479 354 T N 4.050 118.515 114.554 -0.147 0.000 2.788 354 T HA 0.107 4.457 4.350 -0.000 0.000 0.287 354 T C 1.416 176.062 174.700 -0.091 0.000 1.007 354 T CA -0.053 61.990 62.100 -0.095 0.000 1.005 354 T CB 1.326 70.162 68.868 -0.053 0.000 1.012 354 T HN 0.806 nan 8.240 nan 0.000 0.530 355 S N 0.651 116.296 115.700 -0.091 0.000 2.345 355 S HA -0.070 4.400 4.470 -0.000 0.000 0.220 355 S C 2.048 176.554 174.600 -0.157 0.000 1.031 355 S CA 1.144 59.283 58.200 -0.101 0.000 0.996 355 S CB -0.152 62.995 63.200 -0.089 0.000 0.882 355 S HN 0.536 nan 8.310 nan 0.000 0.445 356 K N 0.820 121.081 120.400 -0.232 0.000 2.211 356 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 356 K C 1.496 177.802 176.600 -0.490 0.000 1.047 356 K CA 1.346 57.352 56.287 -0.467 0.000 0.935 356 K CB -0.219 31.817 32.500 -0.775 0.000 0.728 356 K HN 0.276 nan 8.250 nan 0.000 0.452 357 D N 1.067 121.346 120.400 -0.202 0.000 2.097 357 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 357 D C 1.910 178.174 176.300 -0.060 0.000 0.989 357 D CA 0.927 54.921 54.000 -0.010 0.000 0.827 357 D CB -0.193 40.611 40.800 0.007 0.000 0.966 357 D HN 0.110 nan 8.370 nan 0.000 0.456 358 L N 0.526 121.700 121.223 -0.082 0.000 2.083 358 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 358 L C 2.495 179.302 176.870 -0.106 0.000 1.083 358 L CA 1.167 55.965 54.840 -0.070 0.000 0.752 358 L CB -0.314 41.706 42.059 -0.065 0.000 0.899 358 L HN 0.054 nan 8.230 nan 0.000 0.433 359 Q N -0.366 119.348 119.800 -0.143 0.000 2.079 359 Q HA -0.216 4.124 4.340 -0.000 0.000 0.200 359 Q C 2.350 178.260 176.000 -0.150 0.000 0.974 359 Q CA 1.200 56.913 55.803 -0.149 0.000 0.840 359 Q CB -0.160 28.477 28.738 -0.168 0.000 0.898 359 Q HN 0.509 nan 8.270 nan 0.000 0.430 360 L N 0.497 121.631 121.223 -0.149 0.000 2.013 360 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 360 L C 2.005 178.761 176.870 -0.190 0.000 1.073 360 L CA 1.245 56.010 54.840 -0.124 0.000 0.753 360 L CB -0.126 41.918 42.059 -0.025 0.000 0.890 360 L HN 0.231 nan 8.230 nan 0.000 0.432 361 I N 0.367 120.840 120.570 -0.162 0.000 2.361 361 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 361 I C 2.569 178.507 176.117 -0.299 0.000 1.133 361 I CA 1.399 62.567 61.300 -0.220 0.000 1.413 361 I CB -1.171 36.779 38.000 -0.083 0.000 1.073 361 I HN 0.282 nan 8.210 nan 0.000 0.424 362 G N 0.072 108.743 108.800 -0.216 0.000 2.446 362 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 362 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 362 G C 1.588 176.352 174.900 -0.226 0.000 1.168 362 G CA 0.590 45.564 45.100 -0.210 0.000 0.771 362 G HN 0.312 nan 8.290 nan 0.000 0.551 363 E N 0.681 120.762 120.200 -0.198 0.000 2.031 363 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 363 E C 2.592 179.064 176.600 -0.212 0.000 0.994 363 E CA 0.597 56.904 56.400 -0.155 0.000 0.800 363 E CB -0.430 29.208 29.700 -0.104 0.000 0.752 363 E HN 0.528 nan 8.360 nan 0.000 0.447 364 I N 1.039 121.358 120.570 -0.418 0.000 2.567 364 I HA -0.270 3.900 4.170 -0.000 0.000 0.257 364 I C 2.413 178.306 176.117 -0.373 0.000 1.184 364 I CA 0.992 61.913 61.300 -0.632 0.000 1.451 364 I CB -0.187 37.178 38.000 -1.057 0.000 1.089 364 I HN 0.112 nan 8.210 nan 0.000 0.441 365 Q N 0.541 120.065 119.800 -0.459 0.000 2.137 365 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 365 Q C 2.062 178.031 176.000 -0.052 0.000 0.960 365 Q CA 0.955 56.512 55.803 -0.410 0.000 0.847 365 Q CB 0.103 28.496 28.738 -0.574 0.000 0.915 365 Q HN 0.414 nan 8.270 nan 0.000 0.448 366 K N -0.247 120.039 120.400 -0.190 0.000 2.283 366 K HA -0.160 4.160 4.320 -0.000 0.000 0.202 366 K C 1.691 178.196 176.600 -0.157 0.000 1.048 366 K CA 0.790 56.839 56.287 -0.397 0.000 0.948 366 K CB -0.051 32.074 32.500 -0.624 0.000 0.742 366 K HN 0.233 nan 8.250 nan 0.000 0.458 367 Y N -0.159 120.051 120.300 -0.150 0.000 2.293 367 Y HA -0.234 4.316 4.550 -0.000 0.000 0.291 367 Y C 1.090 176.749 175.900 -0.402 0.000 1.137 367 Y CA 1.506 59.458 58.100 -0.246 0.000 1.202 367 Y CB 0.140 38.551 38.460 -0.082 0.000 0.990 367 Y HN 0.013 nan 8.280 nan 0.000 0.537 368 Y N -2.129 118.217 120.300 0.076 0.000 2.458 368 Y HA 0.166 4.716 4.550 -0.000 0.000 0.256 368 Y C -0.581 175.252 175.900 -0.112 0.000 1.159 368 Y CA -0.422 57.642 58.100 -0.059 0.000 1.261 368 Y CB -0.020 38.508 38.460 0.112 0.000 1.119 368 Y HN -0.094 nan 8.280 nan 0.000 0.524 369 Y N 1.148 121.604 120.300 0.259 0.000 2.360 369 Y HA 0.316 4.866 4.550 -0.000 0.000 0.337 369 Y C 0.360 176.590 175.900 0.551 0.000 1.039 369 Y CA -1.841 56.491 58.100 0.387 0.000 1.109 369 Y CB 0.883 39.525 38.460 0.303 0.000 1.201 369 Y HN -0.194 nan 8.280 nan 0.000 0.458 370 K N 2.781 123.508 120.400 0.545 0.000 2.527 370 K HA -0.072 4.248 4.320 -0.000 0.000 0.278 370 K C 0.833 177.639 176.600 0.343 0.000 0.981 370 K CA 0.227 56.746 56.287 0.387 0.000 1.009 370 K CB 0.538 33.220 32.500 0.304 0.000 0.895 370 K HN 0.709 nan 8.250 nan 0.000 0.493 371 K N 2.014 122.374 120.400 -0.066 0.000 2.286 371 K HA -0.226 4.094 4.320 -0.000 0.000 0.203 371 K C 1.440 177.903 176.600 -0.228 0.000 1.045 371 K CA 1.843 57.834 56.287 -0.494 0.000 0.935 371 K CB -0.054 32.134 32.500 -0.520 0.000 0.737 371 K HN 0.653 nan 8.250 nan 0.000 0.460 372 E N -0.667 119.435 120.200 -0.164 0.000 2.515 372 E HA -0.169 4.181 4.350 -0.000 0.000 0.201 372 E C 0.641 176.996 176.600 -0.408 0.000 1.071 372 E CA 0.606 56.807 56.400 -0.333 0.000 0.880 372 E CB -0.125 29.277 29.700 -0.496 0.000 0.828 372 E HN 0.465 nan 8.360 nan 0.000 0.540 373 W N -0.655 120.753 121.300 0.180 0.000 2.534 373 W HA 0.308 4.968 4.660 -0.000 0.000 0.339 373 W C 1.478 178.173 176.519 0.293 0.000 0.961 373 W CA -0.566 56.899 57.345 0.200 0.000 1.545 373 W CB 0.321 29.866 29.460 0.143 0.000 1.104 373 W HN 0.160 nan 8.180 nan 0.000 0.538 374 H N 0.230 119.468 119.070 0.281 0.000 2.457 374 H HA -0.088 4.468 4.556 -0.000 0.000 0.294 374 H C 1.940 177.366 175.328 0.164 0.000 1.064 374 H CA 1.039 57.207 56.048 0.201 0.000 1.330 374 H CB 0.402 30.252 29.762 0.146 0.000 1.395 374 H HN 0.153 nan 8.280 nan 0.000 0.541 375 K N 0.690 121.263 120.400 0.289 0.000 2.062 375 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 375 K C 1.910 178.644 176.600 0.222 0.000 1.051 375 K CA 0.599 56.998 56.287 0.187 0.000 0.941 375 K CB -0.055 32.521 32.500 0.127 0.000 0.719 375 K HN 0.080 nan 8.250 nan 0.000 0.440 376 F N 1.800 121.850 119.950 0.168 0.000 2.011 376 F HA -0.310 4.217 4.527 -0.000 0.000 0.296 376 F C 1.834 177.663 175.800 0.048 0.000 1.144 376 F CA 1.895 59.992 58.000 0.160 0.000 1.185 376 F CB -0.262 38.934 39.000 0.328 0.000 0.961 376 F HN -0.044 nan 8.300 nan 0.000 0.485 377 I N 0.381 121.205 120.570 0.424 0.000 2.113 377 I HA -0.407 3.763 4.170 -0.000 0.000 0.242 377 I C 2.040 178.169 176.117 0.019 0.000 1.064 377 I CA 2.034 63.420 61.300 0.143 0.000 1.320 377 I CB -0.754 37.241 38.000 -0.009 0.000 1.028 377 I HN 0.239 nan 8.210 nan 0.000 0.406 378 D N 0.290 120.708 120.400 0.031 0.000 2.104 378 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 378 D C 2.188 178.444 176.300 -0.073 0.000 0.994 378 D CA 1.718 55.704 54.000 -0.024 0.000 0.830 378 D CB -0.263 40.540 40.800 0.006 0.000 0.959 378 D HN 0.232 nan 8.370 nan 0.000 0.452 379 T N 0.506 115.022 114.554 -0.064 0.000 2.607 379 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 379 T C 2.046 176.659 174.700 -0.145 0.000 1.049 379 T CA 1.025 63.053 62.100 -0.121 0.000 1.162 379 T CB -0.443 68.368 68.868 -0.096 0.000 0.863 379 T HN 0.199 nan 8.240 nan 0.000 0.424 380 I N 0.550 121.024 120.570 -0.159 0.000 2.226 380 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 380 I C 2.260 178.265 176.117 -0.188 0.000 1.100 380 I CA 1.429 62.618 61.300 -0.183 0.000 1.374 380 I CB -0.296 37.563 38.000 -0.235 0.000 1.057 380 I HN 0.248 nan 8.210 nan 0.000 0.413 381 T N 0.055 114.519 114.554 -0.150 0.000 2.788 381 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 381 T C 1.498 176.104 174.700 -0.158 0.000 1.044 381 T CA 1.764 63.780 62.100 -0.140 0.000 1.139 381 T CB -0.414 68.383 68.868 -0.119 0.000 0.867 381 T HN 0.477 nan 8.240 nan 0.000 0.454 382 D N 0.419 120.700 120.400 -0.198 0.000 2.178 382 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 382 D C 1.991 178.129 176.300 -0.271 0.000 0.974 382 D CA 0.950 54.808 54.000 -0.237 0.000 0.841 382 D CB -0.106 40.516 40.800 -0.296 0.000 0.953 382 D HN 0.425 nan 8.370 nan 0.000 0.478 383 H N -0.529 118.425 119.070 -0.193 0.000 2.363 383 H HA 0.063 4.619 4.556 -0.000 0.000 0.301 383 H C 1.779 176.988 175.328 -0.198 0.000 1.074 383 H CA 0.870 56.786 56.048 -0.219 0.000 1.354 383 H CB -0.183 29.326 29.762 -0.422 0.000 1.397 383 H HN 0.311 nan 8.280 nan 0.000 0.516 384 M N 0.821 120.333 119.600 -0.145 0.000 2.722 384 M HA -0.046 4.434 4.480 -0.000 0.000 0.238 384 M C 1.170 177.460 176.300 -0.016 0.000 1.098 384 M CA 0.757 56.015 55.300 -0.071 0.000 1.062 384 M CB -0.050 32.492 32.600 -0.097 0.000 1.573 384 M HN 0.133 nan 8.290 nan 0.000 0.531 385 T N -1.704 112.831 114.554 -0.032 0.000 3.065 385 T HA 0.069 4.418 4.350 -0.000 0.000 0.252 385 T C 0.543 175.242 174.700 -0.002 0.000 1.099 385 T CA 0.221 62.302 62.100 -0.031 0.000 1.063 385 T CB 0.179 69.011 68.868 -0.061 0.000 0.948 385 T HN 0.439 nan 8.240 nan 0.000 0.506 386 E N 1.175 121.393 120.200 0.031 0.000 2.646 386 E HA 0.379 4.729 4.350 -0.000 0.000 0.336 386 E C -1.691 174.969 176.600 0.099 0.000 1.027 386 E CA -0.248 56.183 56.400 0.051 0.000 0.765 386 E CB 1.149 30.867 29.700 0.031 0.000 1.545 386 E HN 0.001 nan 8.360 nan 0.000 0.382 387 V N 4.251 124.236 119.914 0.117 0.000 2.539 387 V HA 0.476 4.596 4.120 -0.000 0.000 0.292 387 V C -2.263 173.863 176.094 0.053 0.000 1.045 387 V CA -1.880 60.510 62.300 0.149 0.000 0.945 387 V CB 1.604 33.538 31.823 0.186 0.000 0.993 387 V HN 0.573 nan 8.190 nan 0.000 0.464 388 P HA 0.416 nan 4.420 nan 0.000 0.297 388 P C -1.083 176.108 177.300 -0.181 0.000 1.331 388 P CA -0.283 62.774 63.100 -0.072 0.000 0.803 388 P CB 1.299 32.983 31.700 -0.027 0.000 0.929 389 V N 5.639 125.304 119.914 -0.415 0.000 2.555 389 V HA 0.425 4.545 4.120 -0.000 0.000 0.302 389 V C 0.166 175.880 176.094 -0.635 0.000 1.038 389 V CA -0.562 61.378 62.300 -0.600 0.000 0.887 389 V CB 1.802 32.995 31.823 -1.051 0.000 0.991 389 V HN 0.403 nan 8.190 nan 0.000 0.434 390 I N 4.291 124.587 120.570 -0.458 0.000 2.354 390 I HA 0.303 4.473 4.170 -0.000 0.000 0.286 390 I C 0.837 176.730 176.117 -0.373 0.000 1.007 390 I CA -0.333 60.656 61.300 -0.520 0.000 1.167 390 I CB 1.941 39.464 38.000 -0.796 0.000 1.320 390 I HN 0.767 nan 8.210 nan 0.000 0.458 391 T N 2.390 116.832 114.554 -0.187 0.000 2.802 391 T HA 0.215 4.565 4.350 -0.000 0.000 0.305 391 T C 1.343 176.171 174.700 0.213 0.000 1.053 391 T CA 0.005 62.199 62.100 0.156 0.000 1.058 391 T CB 1.443 70.489 68.868 0.296 0.000 0.988 391 T HN 0.638 nan 8.240 nan 0.000 0.539 392 A N 1.200 124.254 122.820 0.390 0.000 1.972 392 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 392 A C 2.106 179.927 177.584 0.394 0.000 1.169 392 A CA 1.538 53.803 52.037 0.379 0.000 0.635 392 A CB -0.854 18.247 19.000 0.167 0.000 0.810 392 A HN 1.002 nan 8.150 nan 0.000 0.446 393 D N -2.228 118.386 120.400 0.356 0.000 2.317 393 D HA 0.163 4.803 4.640 -0.000 0.000 0.211 393 D C 1.246 177.701 176.300 0.258 0.000 0.966 393 D CA 1.311 55.481 54.000 0.284 0.000 0.876 393 D CB -0.137 40.840 40.800 0.295 0.000 0.927 393 D HN 0.719 nan 8.370 nan 0.000 0.519 394 G N 0.207 109.141 108.800 0.222 0.000 2.336 394 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.194 394 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.194 394 G C 0.120 174.998 174.900 -0.036 0.000 0.999 394 G CA -0.377 44.781 45.100 0.098 0.000 0.669 394 G HN 0.226 nan 8.290 nan 0.000 0.482 395 E N 0.220 120.430 120.200 0.016 0.000 2.418 395 E HA 0.445 4.795 4.350 -0.000 0.000 0.261 395 E C -0.169 176.349 176.600 -0.136 0.000 1.070 395 E CA 0.188 56.563 56.400 -0.041 0.000 0.931 395 E CB 1.968 31.635 29.700 -0.056 0.000 0.954 395 E HN 0.247 nan 8.360 nan 0.000 0.439 396 V N 3.383 123.223 119.914 -0.124 0.000 2.577 396 V HA 0.300 4.420 4.120 -0.000 0.000 0.303 396 V C -1.092 174.953 176.094 -0.082 0.000 1.042 396 V CA -0.830 61.356 62.300 -0.191 0.000 0.872 396 V CB 0.963 32.675 31.823 -0.185 0.000 0.998 396 V HN 0.568 nan 8.190 nan 0.000 0.423 397 Y N 3.483 123.712 120.300 -0.119 0.000 2.477 397 Y HA 0.852 5.402 4.550 -0.000 0.000 0.347 397 Y C -1.083 174.775 175.900 -0.070 0.000 0.981 397 Y CA -1.945 56.096 58.100 -0.099 0.000 1.033 397 Y CB 1.456 39.845 38.460 -0.118 0.000 1.245 397 Y HN 0.379 nan 8.280 nan 0.000 0.455 398 I N 4.152 124.814 120.570 0.153 0.000 2.282 398 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 398 I C 0.185 176.398 176.117 0.160 0.000 1.090 398 I CA -0.479 60.878 61.300 0.095 0.000 1.231 398 I CB 0.496 38.522 38.000 0.044 0.000 1.434 398 I HN 0.643 nan 8.210 nan 0.000 0.487 399 R N 5.216 125.845 120.500 0.216 0.000 2.389 399 R HA 0.205 4.545 4.340 -0.000 0.000 0.295 399 R C -0.267 176.087 176.300 0.090 0.000 1.075 399 R CA -0.307 55.906 56.100 0.188 0.000 1.005 399 R CB 0.420 30.877 30.300 0.261 0.000 0.987 399 R HN 0.472 nan 8.270 nan 0.000 0.452 400 N N 3.507 122.235 118.700 0.047 0.000 2.602 400 N HA 0.085 4.825 4.740 -0.000 0.000 0.238 400 N C -0.366 175.148 175.510 0.007 0.000 1.084 400 N CA 0.396 53.458 53.050 0.019 0.000 0.952 400 N CB 1.300 39.786 38.487 -0.002 0.000 1.244 400 N HN 0.903 nan 8.380 nan 0.000 0.512 401 G N 1.941 110.751 108.800 0.017 0.000 2.793 401 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.335 401 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.335 401 G C -0.366 174.529 174.900 -0.010 0.000 0.098 401 G CA 0.229 45.331 45.100 0.004 0.000 1.221 401 G HN 0.639 nan 8.290 nan 0.000 0.582 402 Q N -0.016 119.787 119.800 0.006 0.000 2.819 402 Q HA 0.568 4.908 4.340 -0.000 0.000 0.335 402 Q C -0.386 175.631 176.000 0.029 0.000 0.779 402 Q CA -1.238 54.557 55.803 -0.013 0.000 0.848 402 Q CB 1.101 29.838 28.738 -0.001 0.000 1.332 402 Q HN 0.675 nan 8.270 nan 0.000 0.505 403 R N 0.052 120.582 120.500 0.050 0.000 2.295 403 R HA 0.530 4.870 4.340 -0.000 0.000 0.324 403 R C -0.695 175.677 176.300 0.121 0.000 0.968 403 R CA -0.010 56.154 56.100 0.105 0.000 0.837 403 R CB 1.182 31.581 30.300 0.165 0.000 1.133 403 R HN 0.663 nan 8.270 nan 0.000 0.450 404 G N 2.485 111.362 108.800 0.128 0.000 2.391 404 G HA2 0.134 4.094 3.960 -0.000 0.000 0.305 404 G HA3 0.134 4.094 3.960 -0.000 0.000 0.305 404 G C 0.909 175.893 174.900 0.141 0.000 1.072 404 G CA 0.019 45.200 45.100 0.135 0.000 1.016 404 G HN 0.912 nan 8.290 nan 0.000 0.418 405 S N 2.275 118.058 115.700 0.139 0.000 2.422 405 S HA -0.215 4.255 4.470 -0.000 0.000 0.241 405 S C 2.335 177.002 174.600 0.112 0.000 1.076 405 S CA 1.890 60.162 58.200 0.120 0.000 1.066 405 S CB -0.554 62.709 63.200 0.106 0.000 0.890 405 S HN 0.824 nan 8.310 nan 0.000 0.465 406 G N 0.650 109.539 108.800 0.149 0.000 2.744 406 G HA2 0.102 4.061 3.960 -0.000 0.000 0.211 406 G HA3 0.102 4.061 3.960 -0.000 0.000 0.211 406 G C 0.523 175.510 174.900 0.146 0.000 1.143 406 G CA -0.239 44.955 45.100 0.157 0.000 0.788 406 G HN 0.627 nan 8.290 nan 0.000 0.534 407 Q N 0.050 119.936 119.800 0.144 0.000 2.361 407 Q HA 0.108 4.447 4.340 -0.000 0.000 0.276 407 Q C -1.413 174.652 176.000 0.109 0.000 1.022 407 Q CA -1.215 54.673 55.803 0.142 0.000 0.898 407 Q CB 1.344 30.169 28.738 0.144 0.000 1.246 407 Q HN 0.041 nan 8.270 nan 0.000 0.410 408 P HA -0.177 nan 4.420 nan 0.000 0.216 408 P C 0.352 177.687 177.300 0.057 0.000 1.153 408 P CA 1.232 64.373 63.100 0.070 0.000 0.848 408 P CB 0.246 31.989 31.700 0.072 0.000 0.787 409 D N -1.795 118.662 120.400 0.095 0.000 2.350 409 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 409 D C 1.365 177.730 176.300 0.109 0.000 0.968 409 D CA 0.974 55.053 54.000 0.133 0.000 0.894 409 D CB -0.529 40.392 40.800 0.201 0.000 0.909 409 D HN 0.005 nan 8.370 nan 0.000 0.520 410 T N -1.100 113.512 114.554 0.096 0.000 2.564 410 T HA -0.306 4.044 4.350 -0.000 0.000 0.264 410 T C 1.922 176.663 174.700 0.068 0.000 1.100 410 T CA 1.859 64.020 62.100 0.102 0.000 1.171 410 T CB -0.897 68.026 68.868 0.092 0.000 0.863 410 T HN 0.134 nan 8.240 nan 0.000 0.430 411 S N 0.502 116.214 115.700 0.021 0.000 2.365 411 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 411 S C 2.415 176.985 174.600 -0.050 0.000 1.037 411 S CA 1.678 59.885 58.200 0.012 0.000 1.060 411 S CB -0.785 62.432 63.200 0.028 0.000 0.974 411 S HN 0.578 nan 8.310 nan 0.000 0.427 412 A N 0.916 123.586 122.820 -0.250 0.000 1.865 412 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 412 A C 2.375 179.868 177.584 -0.152 0.000 1.191 412 A CA 2.066 53.769 52.037 -0.556 0.000 0.623 412 A CB -1.785 16.450 19.000 -1.275 0.000 0.826 412 A HN 0.650 nan 8.150 nan 0.000 0.444 413 G N 0.174 109.041 108.800 0.110 0.000 2.553 413 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 413 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 413 G C 1.432 176.463 174.900 0.218 0.000 1.195 413 G CA 1.240 46.503 45.100 0.271 0.000 0.779 413 G HN 0.545 nan 8.290 nan 0.000 0.577 414 N N 0.640 119.448 118.700 0.179 0.000 2.188 414 N HA -0.060 4.680 4.740 -0.000 0.000 0.184 414 N C 2.584 178.064 175.510 -0.049 0.000 1.018 414 N CA 1.255 54.399 53.050 0.155 0.000 0.858 414 N CB -0.347 38.151 38.487 0.018 0.000 0.989 414 N HN 0.265 nan 8.380 nan 0.000 0.426 415 S N 1.159 116.846 115.700 -0.022 0.000 2.348 415 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 415 S C 1.950 176.562 174.600 0.019 0.000 1.033 415 S CA 1.053 59.255 58.200 0.003 0.000 1.010 415 S CB -0.213 63.082 63.200 0.158 0.000 0.891 415 S HN 0.237 nan 8.310 nan 0.000 0.442 416 M N 1.675 121.299 119.600 0.039 0.000 2.065 416 M HA -0.026 4.454 4.480 -0.000 0.000 0.259 416 M C 1.902 178.260 176.300 0.097 0.000 1.069 416 M CA 1.406 56.763 55.300 0.095 0.000 1.110 416 M CB -0.798 31.951 32.600 0.249 0.000 1.328 416 M HN 0.283 nan 8.290 nan 0.000 0.405 417 L N 0.456 121.770 121.223 0.153 0.000 2.131 417 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 417 L C 2.038 179.043 176.870 0.225 0.000 1.092 417 L CA 2.037 57.000 54.840 0.205 0.000 0.759 417 L CB -1.090 41.175 42.059 0.344 0.000 0.903 417 L HN 0.530 nan 8.230 nan 0.000 0.435 418 N N -0.471 118.284 118.700 0.092 0.000 2.106 418 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 418 N C 1.962 177.416 175.510 -0.093 0.000 1.029 418 N CA 2.095 55.092 53.050 -0.089 0.000 0.848 418 N CB -0.364 37.864 38.487 -0.433 0.000 1.007 418 N HN 0.365 nan 8.380 nan 0.000 0.423 419 V N -0.393 119.487 119.914 -0.057 0.000 2.295 419 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 419 V C 2.306 178.329 176.094 -0.119 0.000 1.049 419 V CA 1.531 63.781 62.300 -0.084 0.000 1.024 419 V CB -1.046 30.753 31.823 -0.039 0.000 0.648 419 V HN 0.246 nan 8.190 nan 0.000 0.447 420 L N 0.528 121.717 121.223 -0.057 0.000 1.989 420 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 420 L C 2.933 179.775 176.870 -0.046 0.000 1.071 420 L CA 2.539 57.339 54.840 -0.067 0.000 0.749 420 L CB -1.410 40.625 42.059 -0.040 0.000 0.890 420 L HN 0.390 nan 8.230 nan 0.000 0.431 421 T N -0.496 114.056 114.554 -0.002 0.000 2.684 421 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 421 T C 1.983 176.734 174.700 0.085 0.000 1.036 421 T CA 1.349 63.484 62.100 0.058 0.000 1.148 421 T CB -0.141 68.788 68.868 0.103 0.000 0.863 421 T HN 0.127 nan 8.240 nan 0.000 0.436 422 M N 0.471 120.020 119.600 -0.086 0.000 2.086 422 M HA 0.051 4.531 4.480 -0.000 0.000 0.261 422 M C 2.395 178.635 176.300 -0.100 0.000 1.067 422 M CA 1.500 56.706 55.300 -0.156 0.000 1.116 422 M CB -1.149 31.070 32.600 -0.634 0.000 1.348 422 M HN 0.313 nan 8.290 nan 0.000 0.407 423 M N -1.194 118.259 119.600 -0.244 0.000 2.082 423 M HA -0.282 4.198 4.480 -0.000 0.000 0.258 423 M C 2.330 178.608 176.300 -0.037 0.000 1.071 423 M CA 2.101 57.133 55.300 -0.447 0.000 1.103 423 M CB -0.962 31.220 32.600 -0.697 0.000 1.307 423 M HN 0.214 nan 8.290 nan 0.000 0.409 424 Y N 0.985 121.227 120.300 -0.095 0.000 2.102 424 Y HA -0.349 4.200 4.550 -0.000 0.000 0.280 424 Y C 2.286 178.272 175.900 0.143 0.000 1.178 424 Y CA 2.018 60.138 58.100 0.033 0.000 1.146 424 Y CB -0.610 37.819 38.460 -0.051 0.000 0.968 424 Y HN 0.214 nan 8.280 nan 0.000 0.504 425 A N -0.021 122.855 122.820 0.093 0.000 1.902 425 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 425 A C 2.189 179.858 177.584 0.142 0.000 1.181 425 A CA 1.558 53.665 52.037 0.117 0.000 0.623 425 A CB -1.551 17.679 19.000 0.384 0.000 0.818 425 A HN 0.650 nan 8.150 nan 0.000 0.443 426 F N 0.708 120.573 119.950 -0.142 0.000 2.069 426 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 426 F C 2.534 178.310 175.800 -0.040 0.000 1.113 426 F CA 1.589 59.400 58.000 -0.314 0.000 1.214 426 F CB -0.881 37.950 39.000 -0.283 0.000 0.978 426 F HN 0.324 nan 8.300 nan 0.000 0.474 427 C N 0.850 120.168 119.300 0.030 0.000 2.413 427 C HA -0.181 4.279 4.460 -0.000 0.000 0.277 427 C C 2.687 177.558 174.990 -0.197 0.000 1.228 427 C CA 1.189 60.165 59.018 -0.069 0.000 1.731 427 C CB -1.182 26.660 27.740 0.171 0.000 2.042 427 C HN 0.478 nan 8.230 nan 0.000 0.468 428 E N 1.169 121.224 120.200 -0.240 0.000 2.219 428 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 428 E C 2.252 178.763 176.600 -0.148 0.000 0.998 428 E CA 1.456 57.702 56.400 -0.256 0.000 0.818 428 E CB -0.426 29.016 29.700 -0.431 0.000 0.741 428 E HN 0.656 nan 8.360 nan 0.000 0.477 429 S N 0.113 115.746 115.700 -0.111 0.000 2.356 429 S HA -0.088 4.382 4.470 -0.000 0.000 0.219 429 S C 2.254 176.778 174.600 -0.126 0.000 1.036 429 S CA 1.589 59.763 58.200 -0.044 0.000 0.965 429 S CB -0.294 62.994 63.200 0.146 0.000 0.864 429 S HN 0.536 nan 8.310 nan 0.000 0.471 430 T N -1.276 113.103 114.554 -0.292 0.000 2.809 430 T HA 0.333 4.683 4.350 -0.000 0.000 0.260 430 T C 1.641 176.218 174.700 -0.205 0.000 1.039 430 T CA 1.443 63.364 62.100 -0.298 0.000 1.141 430 T CB -0.372 68.162 68.868 -0.557 0.000 0.869 430 T HN 0.648 nan 8.240 nan 0.000 0.437 431 G N 0.240 108.909 108.800 -0.217 0.000 2.227 431 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.168 431 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.168 431 G C 0.008 174.814 174.900 -0.157 0.000 1.006 431 G CA -0.210 44.795 45.100 -0.159 0.000 0.684 431 G HN 0.679 nan 8.290 nan 0.000 0.489 432 V N 3.931 123.737 119.914 -0.181 0.000 2.540 432 V HA 0.298 4.418 4.120 -0.000 0.000 0.297 432 V C -0.991 175.050 176.094 -0.088 0.000 1.024 432 V CA -0.538 61.700 62.300 -0.103 0.000 1.105 432 V CB 0.804 32.597 31.823 -0.050 0.000 0.938 432 V HN 0.290 nan 8.190 nan 0.000 0.482 433 P HA 0.089 nan 4.420 nan 0.000 0.271 433 P C 0.163 177.472 177.300 0.015 0.000 1.218 433 P CA -0.160 62.862 63.100 -0.129 0.000 0.780 433 P CB 0.593 32.246 31.700 -0.078 0.000 0.901 434 Y N 1.707 122.062 120.300 0.092 0.000 2.069 434 Y HA -0.245 4.305 4.550 -0.000 0.000 0.278 434 Y C 2.249 178.233 175.900 0.140 0.000 1.175 434 Y CA 1.749 59.923 58.100 0.123 0.000 1.134 434 Y CB -1.575 36.940 38.460 0.091 0.000 0.965 434 Y HN 0.390 nan 8.280 nan 0.000 0.498 435 K N -0.433 120.125 120.400 0.263 0.000 2.442 435 K HA -0.050 4.270 4.320 -0.000 0.000 0.198 435 K C 1.629 178.320 176.600 0.151 0.000 1.044 435 K CA 1.203 57.595 56.287 0.175 0.000 0.948 435 K CB -0.234 32.335 32.500 0.115 0.000 0.762 435 K HN 0.111 nan 8.250 nan 0.000 0.472 436 S N 0.516 116.308 115.700 0.153 0.000 2.605 436 S HA 0.060 4.530 4.470 -0.000 0.000 0.217 436 S C 0.963 175.642 174.600 0.132 0.000 0.958 436 S CA -0.342 57.922 58.200 0.107 0.000 0.919 436 S CB -0.165 63.070 63.200 0.059 0.000 0.780 436 S HN 0.247 nan 8.310 nan 0.000 0.507 437 F N 3.667 123.681 119.950 0.107 0.000 2.026 437 F HA -0.154 4.373 4.527 -0.000 0.000 0.296 437 F C 2.138 177.970 175.800 0.053 0.000 1.133 437 F CA 1.532 59.603 58.000 0.118 0.000 1.188 437 F CB -0.397 38.669 39.000 0.110 0.000 0.968 437 F HN 0.202 nan 8.300 nan 0.000 0.476 438 N N 0.281 119.066 118.700 0.141 0.000 2.588 438 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 438 N C 1.728 177.196 175.510 -0.071 0.000 1.094 438 N CA 0.611 53.679 53.050 0.030 0.000 0.921 438 N CB -0.135 38.410 38.487 0.096 0.000 0.959 438 N HN 0.373 nan 8.380 nan 0.000 0.448 439 R N -0.141 120.312 120.500 -0.078 0.000 2.206 439 R HA 0.041 4.381 4.340 -0.000 0.000 0.198 439 R C 1.795 178.020 176.300 -0.126 0.000 0.986 439 R CA 0.500 56.544 56.100 -0.093 0.000 1.029 439 R CB 0.330 30.599 30.300 -0.051 0.000 0.966 439 R HN 0.195 nan 8.270 nan 0.000 0.487 440 V N -3.449 116.386 119.914 -0.130 0.000 3.621 440 V HA 0.512 4.632 4.120 -0.000 0.000 0.263 440 V C 0.503 176.574 176.094 -0.039 0.000 1.272 440 V CA 0.344 62.610 62.300 -0.056 0.000 1.080 440 V CB 0.501 32.344 31.823 0.033 0.000 0.816 440 V HN 0.068 nan 8.190 nan 0.000 0.451 441 A N 0.216 122.844 122.820 -0.321 0.000 2.609 441 A HA 0.910 5.229 4.320 -0.000 0.000 0.291 441 A C -1.173 176.218 177.584 -0.322 0.000 1.096 441 A CA -0.919 50.879 52.037 -0.400 0.000 0.684 441 A CB 1.675 20.030 19.000 -1.075 0.000 1.282 441 A HN 0.156 nan 8.150 nan 0.000 0.412 442 R N 0.469 120.872 120.500 -0.162 0.000 2.599 442 R HA 0.613 4.953 4.340 -0.000 0.000 0.295 442 R C -1.403 174.760 176.300 -0.228 0.000 0.963 442 R CA -0.444 55.587 56.100 -0.114 0.000 0.883 442 R CB 1.610 31.922 30.300 0.020 0.000 1.171 442 R HN 0.769 nan 8.270 nan 0.000 0.450 443 I N 2.242 122.661 120.570 -0.252 0.000 2.530 443 I HA 0.388 4.558 4.170 -0.000 0.000 0.297 443 I C -0.830 174.864 176.117 -0.705 0.000 1.011 443 I CA -0.695 60.413 61.300 -0.320 0.000 1.107 443 I CB 1.446 39.444 38.000 -0.004 0.000 1.285 443 I HN 0.482 nan 8.210 nan 0.000 0.436 444 H N 5.957 124.648 119.070 -0.632 0.000 2.667 444 H HA 0.566 5.122 4.556 -0.000 0.000 0.353 444 H C -1.304 173.801 175.328 -0.371 0.000 1.072 444 H CA -0.427 55.212 56.048 -0.681 0.000 1.214 444 H CB 2.431 31.394 29.762 -1.332 0.000 1.600 444 H HN 0.329 nan 8.280 nan 0.000 0.527 445 V N 2.087 122.047 119.914 0.077 0.000 3.007 445 V HA 0.399 4.519 4.120 -0.000 0.000 0.311 445 V C -1.067 175.199 176.094 0.286 0.000 1.120 445 V CA -0.500 61.959 62.300 0.265 0.000 0.980 445 V CB 2.772 34.713 31.823 0.197 0.000 1.033 445 V HN 0.925 nan 8.190 nan 0.000 0.429 446 C N 5.118 124.546 119.300 0.214 0.000 3.078 446 C HA 0.717 5.177 4.460 -0.000 0.000 0.320 446 C C 0.694 175.648 174.990 -0.059 0.000 1.039 446 C CA 0.354 59.356 59.018 -0.027 0.000 1.386 446 C CB -0.762 26.848 27.740 -0.216 0.000 1.836 446 C HN 1.937 nan 8.230 nan 0.000 0.514 447 G N 5.775 114.544 108.800 -0.051 0.000 2.547 447 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.271 447 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.271 447 G C 0.784 175.503 174.900 -0.302 0.000 1.209 447 G CA 0.724 45.738 45.100 -0.144 0.000 0.959 447 G HN 0.986 nan 8.290 nan 0.000 0.563 448 D N 0.895 121.009 120.400 -0.477 0.000 2.348 448 D HA -0.026 4.614 4.640 -0.000 0.000 0.216 448 D C 0.559 176.768 176.300 -0.151 0.000 0.970 448 D CA 1.107 54.706 54.000 -0.669 0.000 0.889 448 D CB -0.147 40.237 40.800 -0.694 0.000 0.912 448 D HN 0.508 nan 8.370 nan 0.000 0.524 449 D N 0.025 120.409 120.400 -0.027 0.000 2.304 449 D HA 0.431 5.071 4.640 -0.000 0.000 0.247 449 D C 0.118 176.608 176.300 0.316 0.000 1.089 449 D CA 0.349 54.425 54.000 0.127 0.000 0.910 449 D CB 1.609 42.420 40.800 0.019 0.000 1.199 449 D HN 0.300 nan 8.370 nan 0.000 0.426 450 G N 1.156 110.180 108.800 0.373 0.000 2.328 450 G HA2 0.395 4.355 3.960 -0.000 0.000 0.299 450 G HA3 0.395 4.355 3.960 -0.000 0.000 0.299 450 G C -1.542 172.963 174.900 -0.658 0.000 1.435 450 G CA -0.597 44.639 45.100 0.226 0.000 0.865 450 G HN 0.469 nan 8.290 nan 0.000 0.601 451 F N -1.221 118.149 119.950 -0.967 0.000 2.754 451 F HA 0.916 5.443 4.527 -0.000 0.000 0.320 451 F C -1.188 174.287 175.800 -0.543 0.000 1.156 451 F CA -1.587 55.812 58.000 -1.002 0.000 0.950 451 F CB 1.793 40.543 39.000 -0.416 0.000 1.388 451 F HN 0.843 nan 8.300 nan 0.000 0.485 452 L N 1.538 122.616 121.223 -0.243 0.000 2.455 452 L HA 0.754 5.094 4.340 -0.000 0.000 0.264 452 L C -1.919 174.924 176.870 -0.046 0.000 0.968 452 L CA -0.789 53.937 54.840 -0.191 0.000 0.827 452 L CB 2.262 44.288 42.059 -0.055 0.000 1.317 452 L HN 0.783 nan 8.230 nan 0.000 0.407 453 I N 2.991 123.476 120.570 -0.142 0.000 2.428 453 I HA 0.664 4.834 4.170 -0.000 0.000 0.296 453 I C 0.189 175.942 176.117 -0.605 0.000 0.985 453 I CA -0.247 60.894 61.300 -0.265 0.000 1.260 453 I CB 1.952 39.797 38.000 -0.258 0.000 1.389 453 I HN 0.784 nan 8.210 nan 0.000 0.484 454 T N 3.320 117.431 114.554 -0.738 0.000 2.733 454 T HA 0.132 4.482 4.350 -0.000 0.000 0.312 454 T C -1.300 173.192 174.700 -0.346 0.000 1.590 454 T CA -0.737 61.060 62.100 -0.505 0.000 1.005 454 T CB 1.291 70.073 68.868 -0.143 0.000 1.528 454 T HN 0.451 nan 8.240 nan 0.000 0.496 455 E N 2.073 122.279 120.200 0.010 0.000 2.413 455 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 455 E C 1.073 177.669 176.600 -0.007 0.000 1.015 455 E CA 0.020 56.440 56.400 0.034 0.000 0.916 455 E CB 0.978 30.744 29.700 0.110 0.000 0.947 455 E HN 0.665 nan 8.360 nan 0.000 0.440 456 K N 2.787 123.168 120.400 -0.031 0.000 2.044 456 K HA -0.299 4.021 4.320 -0.000 0.000 0.224 456 K C 1.776 178.400 176.600 0.040 0.000 1.056 456 K CA 2.288 58.572 56.287 -0.005 0.000 0.962 456 K CB -0.605 31.922 32.500 0.045 0.000 0.730 456 K HN 0.633 nan 8.250 nan 0.000 0.453 457 G N 1.280 110.112 108.800 0.054 0.000 2.586 457 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 457 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 457 G C 1.588 176.532 174.900 0.074 0.000 1.216 457 G CA 1.400 46.536 45.100 0.060 0.000 0.786 457 G HN 0.323 nan 8.290 nan 0.000 0.583 458 L N 0.801 122.078 121.223 0.091 0.000 2.042 458 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 458 L C 3.230 180.248 176.870 0.247 0.000 1.076 458 L CA 1.188 56.102 54.840 0.124 0.000 0.749 458 L CB -0.842 41.335 42.059 0.197 0.000 0.893 458 L HN 0.387 nan 8.230 nan 0.000 0.432 459 G N -0.019 108.926 108.800 0.242 0.000 2.418 459 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 459 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 459 G C 1.527 176.571 174.900 0.240 0.000 1.158 459 G CA 0.349 45.623 45.100 0.289 0.000 0.771 459 G HN 0.172 nan 8.290 nan 0.000 0.545 460 L N 0.170 121.470 121.223 0.129 0.000 2.217 460 L HA 0.033 4.373 4.340 -0.000 0.000 0.211 460 L C 2.658 179.593 176.870 0.109 0.000 1.107 460 L CA 1.272 56.171 54.840 0.098 0.000 0.783 460 L CB -0.649 41.464 42.059 0.090 0.000 0.919 460 L HN 0.319 nan 8.230 nan 0.000 0.442 461 K N 0.207 120.683 120.400 0.126 0.000 2.001 461 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 461 K C 2.209 178.903 176.600 0.157 0.000 1.048 461 K CA 1.195 57.540 56.287 0.097 0.000 0.932 461 K CB -0.209 32.320 32.500 0.048 0.000 0.715 461 K HN 0.026 nan 8.250 nan 0.000 0.437 462 F N 1.640 121.632 119.950 0.070 0.000 2.120 462 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 462 F C 1.875 177.763 175.800 0.148 0.000 1.095 462 F CA 1.461 59.547 58.000 0.143 0.000 1.249 462 F CB -0.830 38.404 39.000 0.390 0.000 0.995 462 F HN 0.098 nan 8.300 nan 0.000 0.480 463 A N 0.337 123.148 122.820 -0.015 0.000 1.972 463 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 463 A C 2.172 179.708 177.584 -0.080 0.000 1.169 463 A CA 1.839 53.793 52.037 -0.138 0.000 0.635 463 A CB -0.739 18.251 19.000 -0.016 0.000 0.810 463 A HN 0.563 nan 8.150 nan 0.000 0.446 464 N N -0.360 118.335 118.700 -0.009 0.000 2.240 464 N HA -0.034 4.706 4.740 -0.000 0.000 0.187 464 N C 1.474 176.987 175.510 0.004 0.000 1.042 464 N CA 1.195 54.248 53.050 0.005 0.000 0.861 464 N CB -0.283 38.220 38.487 0.026 0.000 1.026 464 N HN 0.458 nan 8.380 nan 0.000 0.441 465 K N 0.863 121.277 120.400 0.023 0.000 2.442 465 K HA 0.027 4.347 4.320 -0.000 0.000 0.198 465 K C 1.950 178.577 176.600 0.043 0.000 1.042 465 K CA 0.560 56.867 56.287 0.033 0.000 0.958 465 K CB -0.164 32.359 32.500 0.038 0.000 0.766 465 K HN 0.183 nan 8.250 nan 0.000 0.474 466 G N 2.117 110.922 108.800 0.008 0.000 2.514 466 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 466 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 466 G C 1.455 176.366 174.900 0.019 0.000 1.198 466 G CA 0.883 45.967 45.100 -0.026 0.000 0.780 466 G HN 0.046 nan 8.290 nan 0.000 0.565 467 M N 0.204 119.802 119.600 -0.003 0.000 2.226 467 M HA -0.194 4.286 4.480 -0.000 0.000 0.257 467 M C 2.504 178.869 176.300 0.109 0.000 1.070 467 M CA 1.641 56.972 55.300 0.052 0.000 1.087 467 M CB -1.579 31.047 32.600 0.044 0.000 1.278 467 M HN 0.319 nan 8.290 nan 0.000 0.426 468 Q N -0.005 119.844 119.800 0.082 0.000 2.124 468 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 468 Q C 2.118 178.191 176.000 0.121 0.000 0.977 468 Q CA 1.387 57.239 55.803 0.082 0.000 0.850 468 Q CB -0.125 28.629 28.738 0.026 0.000 0.901 468 Q HN 0.566 nan 8.270 nan 0.000 0.429 469 I N 0.435 121.075 120.570 0.118 0.000 2.142 469 I HA -0.329 3.841 4.170 -0.000 0.000 0.240 469 I C 2.348 178.583 176.117 0.196 0.000 1.078 469 I CA 0.908 62.296 61.300 0.147 0.000 1.343 469 I CB -0.304 37.773 38.000 0.129 0.000 1.046 469 I HN 0.195 nan 8.210 nan 0.000 0.405 470 L N -0.065 121.273 121.223 0.191 0.000 2.043 470 L HA -0.310 4.030 4.340 -0.000 0.000 0.212 470 L C 2.819 179.785 176.870 0.159 0.000 1.075 470 L CA 1.463 56.413 54.840 0.183 0.000 0.752 470 L CB -0.932 41.222 42.059 0.159 0.000 0.891 470 L HN 0.428 nan 8.230 nan 0.000 0.432 471 H N 1.242 120.354 119.070 0.070 0.000 2.352 471 H HA -0.197 4.359 4.556 -0.000 0.000 0.299 471 H C 1.754 177.105 175.328 0.038 0.000 1.097 471 H CA 2.031 58.107 56.048 0.047 0.000 1.311 471 H CB 0.169 29.954 29.762 0.039 0.000 1.377 471 H HN 0.602 nan 8.280 nan 0.000 0.504 472 E N -0.640 119.728 120.200 0.280 0.000 2.489 472 E HA 0.201 4.551 4.350 -0.000 0.000 0.193 472 E C 1.692 178.357 176.600 0.107 0.000 1.057 472 E CA 0.432 56.950 56.400 0.196 0.000 0.866 472 E CB 0.233 30.017 29.700 0.141 0.000 0.916 472 E HN 0.361 nan 8.360 nan 0.000 0.500 473 A N 1.350 124.227 122.820 0.096 0.000 2.195 473 A HA 0.406 4.726 4.320 -0.000 0.000 0.210 473 A C 1.874 179.431 177.584 -0.044 0.000 1.165 473 A CA 0.517 52.567 52.037 0.021 0.000 0.806 473 A CB -0.162 18.892 19.000 0.090 0.000 0.847 473 A HN 0.450 nan 8.150 nan 0.000 0.482 474 G N -0.994 107.782 108.800 -0.040 0.000 2.159 474 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.227 474 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.227 474 G C -0.086 174.718 174.900 -0.161 0.000 0.986 474 G CA 0.222 45.260 45.100 -0.103 0.000 0.651 474 G HN 0.301 nan 8.290 nan 0.000 0.523 475 K N 1.009 121.344 120.400 -0.108 0.000 2.592 475 K HA 0.399 4.719 4.320 -0.000 0.000 0.212 475 K C -2.942 173.645 176.600 -0.022 0.000 1.013 475 K CA -1.763 54.474 56.287 -0.083 0.000 1.034 475 K CB 2.263 34.775 32.500 0.020 0.000 1.292 475 K HN 0.148 nan 8.250 nan 0.000 0.521 476 P HA 0.071 nan 4.420 nan 0.000 0.271 476 P C -0.386 176.926 177.300 0.020 0.000 1.216 476 P CA -0.109 62.924 63.100 -0.112 0.000 0.771 476 P CB 0.669 32.233 31.700 -0.227 0.000 0.864 477 Q N 2.197 122.032 119.800 0.059 0.000 2.245 477 Q HA 0.249 4.589 4.340 -0.000 0.000 0.256 477 Q C -0.051 175.995 176.000 0.077 0.000 0.942 477 Q CA -0.666 55.190 55.803 0.089 0.000 0.896 477 Q CB 1.293 30.087 28.738 0.095 0.000 1.272 477 Q HN 0.384 nan 8.270 nan 0.000 0.442 478 K N 1.832 122.280 120.400 0.080 0.000 2.453 478 K HA 0.055 4.375 4.320 -0.000 0.000 0.280 478 K C -0.022 176.615 176.600 0.060 0.000 1.045 478 K CA -0.165 56.162 56.287 0.066 0.000 1.059 478 K CB 0.021 32.561 32.500 0.066 0.000 0.901 478 K HN 0.343 nan 8.250 nan 0.000 0.475 479 I N 3.197 123.800 120.570 0.056 0.000 2.668 479 I HA -0.124 4.046 4.170 -0.000 0.000 0.285 479 I C 1.408 177.551 176.117 0.043 0.000 1.168 479 I CA 1.016 62.346 61.300 0.051 0.000 1.424 479 I CB 0.742 38.771 38.000 0.048 0.000 1.377 479 I HN 0.693 nan 8.210 nan 0.000 0.560 480 T N 3.618 118.196 114.554 0.040 0.000 3.085 480 T HA 0.138 4.488 4.350 -0.000 0.000 0.241 480 T C 1.252 175.971 174.700 0.031 0.000 0.988 480 T CA 0.764 62.886 62.100 0.036 0.000 1.117 480 T CB 0.378 69.269 68.868 0.038 0.000 0.978 480 T HN 0.818 nan 8.240 nan 0.000 0.454 481 E N -1.470 118.748 120.200 0.030 0.000 1.187 481 E HA -0.043 4.307 4.350 -0.000 0.000 0.211 481 E C 0.690 177.306 176.600 0.027 0.000 1.052 481 E CA 0.502 56.918 56.400 0.027 0.000 1.004 481 E CB -0.927 28.788 29.700 0.024 0.000 4.808 481 E HN 0.328 nan 8.360 nan 0.000 0.631 482 G N 2.618 111.437 108.800 0.030 0.000 4.198 482 G HA2 0.200 4.160 3.960 -0.000 0.000 0.282 482 G HA3 0.200 4.160 3.960 -0.000 0.000 0.282 482 G C -0.025 174.894 174.900 0.032 0.000 1.262 482 G CA 0.163 45.282 45.100 0.032 0.000 1.473 482 G HN 0.268 nan 8.290 nan 0.000 0.624 483 E N 1.141 121.358 120.200 0.029 0.000 0.922 483 E HA -0.273 4.077 4.350 -0.000 0.000 0.174 483 E C 0.098 176.713 176.600 0.025 0.000 0.642 483 E CA 0.910 57.327 56.400 0.028 0.000 0.358 483 E CB -1.435 28.279 29.700 0.025 0.000 1.058 483 E HN 0.794 nan 8.360 nan 0.000 0.232 484 K N -0.887 119.528 120.400 0.024 0.000 2.685 484 K HA 0.379 4.699 4.320 -0.000 0.000 0.290 484 K C -0.650 175.953 176.600 0.005 0.000 1.018 484 K CA -1.055 55.237 56.287 0.009 0.000 0.860 484 K CB 0.651 33.158 32.500 0.013 0.000 1.498 484 K HN 0.018 nan 8.250 nan 0.000 0.390 485 M N 1.907 121.487 119.600 -0.034 0.000 2.249 485 M HA 0.096 4.576 4.480 -0.000 0.000 0.340 485 M C 0.382 176.687 176.300 0.008 0.000 1.166 485 M CA 0.072 55.354 55.300 -0.030 0.000 1.115 485 M CB 0.398 32.914 32.600 -0.140 0.000 1.606 485 M HN 0.488 nan 8.290 nan 0.000 0.448 486 K N 2.567 122.987 120.400 0.033 0.000 2.447 486 K HA 0.219 4.539 4.320 -0.000 0.000 0.281 486 K C -1.467 175.154 176.600 0.034 0.000 1.031 486 K CA -0.054 56.257 56.287 0.040 0.000 1.019 486 K CB 0.443 32.964 32.500 0.036 0.000 0.918 486 K HN 0.505 nan 8.250 nan 0.000 0.476 487 V N 3.407 123.344 119.914 0.038 0.000 2.495 487 V HA 0.443 4.563 4.120 -0.000 0.000 0.298 487 V C -0.302 175.776 176.094 -0.027 0.000 1.031 487 V CA -0.946 61.337 62.300 -0.027 0.000 0.871 487 V CB 1.409 33.171 31.823 -0.103 0.000 0.988 487 V HN 0.905 nan 8.190 nan 0.000 0.432 488 A N 3.542 126.327 122.820 -0.058 0.000 2.276 488 A HA 0.695 5.015 4.320 -0.000 0.000 0.316 488 A C -0.409 177.206 177.584 0.052 0.000 1.229 488 A CA -0.238 51.804 52.037 0.008 0.000 0.851 488 A CB 0.368 19.321 19.000 -0.078 0.000 1.165 488 A HN 0.831 nan 8.150 nan 0.000 0.513 489 Y N 1.334 121.728 120.300 0.157 0.000 2.458 489 Y HA 0.188 4.738 4.550 -0.000 0.000 0.254 489 Y C 0.986 177.084 175.900 0.329 0.000 1.120 489 Y CA 0.466 58.713 58.100 0.245 0.000 1.282 489 Y CB 0.426 38.971 38.460 0.141 0.000 1.109 489 Y HN 0.548 nan 8.280 nan 0.000 0.526 490 R N -0.137 120.518 120.500 0.259 0.000 2.480 490 R HA 0.169 4.509 4.340 -0.000 0.000 0.306 490 R C 0.300 176.362 176.300 -0.398 0.000 0.958 490 R CA -0.578 55.572 56.100 0.083 0.000 0.861 490 R CB 0.983 31.309 30.300 0.043 0.000 1.171 490 R HN 0.134 nan 8.270 nan 0.000 0.445 491 F N 3.199 122.499 119.950 -1.084 0.000 2.115 491 F HA -0.262 4.265 4.527 -0.000 0.000 0.300 491 F C 1.285 176.601 175.800 -0.806 0.000 1.092 491 F CA 1.945 58.986 58.000 -1.599 0.000 1.245 491 F CB 0.324 38.314 39.000 -1.684 0.000 0.995 491 F HN 0.555 nan 8.300 nan 0.000 0.481 492 E N 0.046 119.974 120.200 -0.452 0.000 2.331 492 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 492 E C 1.319 177.623 176.600 -0.494 0.000 1.008 492 E CA 1.330 57.475 56.400 -0.424 0.000 0.843 492 E CB -0.477 29.154 29.700 -0.115 0.000 0.761 492 E HN 0.486 nan 8.360 nan 0.000 0.507 493 D N -0.472 119.651 120.400 -0.461 0.000 2.349 493 D HA 0.113 4.753 4.640 -0.000 0.000 0.214 493 D C 0.167 176.209 176.300 -0.431 0.000 1.063 493 D CA -0.087 53.703 54.000 -0.350 0.000 0.847 493 D CB 0.234 40.924 40.800 -0.183 0.000 0.933 493 D HN 0.188 nan 8.370 nan 0.000 0.513 494 I N 1.454 121.627 120.570 -0.661 0.000 2.618 494 I HA -0.044 4.126 4.170 -0.000 0.000 0.284 494 I C 0.652 176.438 176.117 -0.551 0.000 1.146 494 I CA 0.449 61.339 61.300 -0.684 0.000 1.425 494 I CB 0.586 38.010 38.000 -0.959 0.000 1.383 494 I HN -0.236 nan 8.210 nan 0.000 0.562 495 E N 6.007 125.975 120.200 -0.385 0.000 2.158 495 E HA 0.523 4.873 4.350 -0.000 0.000 0.271 495 E C -1.448 175.128 176.600 -0.040 0.000 0.911 495 E CA -0.510 55.780 56.400 -0.183 0.000 0.767 495 E CB 1.477 31.102 29.700 -0.126 0.000 1.120 495 E HN 0.358 nan 8.360 nan 0.000 0.405 496 F N 3.355 123.268 119.950 -0.062 0.000 2.650 496 F HA 0.233 4.760 4.527 -0.000 0.000 0.310 496 F C -0.546 175.300 175.800 0.076 0.000 1.112 496 F CA -1.166 56.842 58.000 0.014 0.000 0.986 496 F CB 0.978 39.993 39.000 0.025 0.000 1.285 496 F HN 0.616 nan 8.300 nan 0.000 0.440 497 C N 3.882 122.733 119.300 -0.749 0.000 4.056 497 C HA -0.164 4.296 4.460 -0.000 0.000 0.298 497 C C 1.304 176.137 174.990 -0.261 0.000 1.456 497 C CA 1.522 60.153 59.018 -0.645 0.000 2.037 497 C CB -2.995 24.193 27.740 -0.921 0.000 1.295 497 C HN 1.179 nan 8.230 nan 0.000 0.733 498 S N -1.670 113.896 115.700 -0.222 0.000 3.315 498 S HA -0.136 4.334 4.470 -0.000 0.000 0.283 498 S C -0.026 174.255 174.600 -0.531 0.000 1.279 498 S CA 1.498 59.502 58.200 -0.328 0.000 0.984 498 S CB -0.857 62.111 63.200 -0.388 0.000 1.184 498 S HN 0.905 nan 8.310 nan 0.000 0.653 499 H N -0.431 118.666 119.070 0.045 0.000 2.960 499 H HA 0.683 5.239 4.556 -0.000 0.000 0.338 499 H C 0.223 175.586 175.328 0.059 0.000 1.261 499 H CA 0.138 56.257 56.048 0.118 0.000 1.136 499 H CB 1.786 31.714 29.762 0.276 0.000 1.875 499 H HN 0.402 nan 8.280 nan 0.000 0.550 500 T N -1.321 113.188 114.554 -0.075 0.000 2.865 500 T HA 0.426 4.776 4.350 -0.000 0.000 0.294 500 T C -3.042 170.978 174.700 -1.135 0.000 1.119 500 T CA -2.004 59.719 62.100 -0.629 0.000 1.007 500 T CB 2.616 71.212 68.868 -0.453 0.000 1.225 500 T HN 0.238 nan 8.240 nan 0.000 0.515 501 P HA 0.488 nan 4.420 nan 0.000 0.276 501 P C -1.066 175.911 177.300 -0.537 0.000 1.244 501 P CA -0.522 61.909 63.100 -1.115 0.000 0.801 501 P CB 1.024 32.102 31.700 -1.036 0.000 1.006 502 V N 3.002 122.704 119.914 -0.353 0.000 2.525 502 V HA 0.308 4.428 4.120 -0.000 0.000 0.299 502 V C -2.412 173.543 176.094 -0.232 0.000 1.034 502 V CA -2.190 59.860 62.300 -0.417 0.000 0.863 502 V CB 1.850 33.125 31.823 -0.914 0.000 0.999 502 V HN 0.473 nan 8.190 nan 0.000 0.423 503 P HA 0.305 nan 4.420 nan 0.000 0.271 503 P C -0.937 176.233 177.300 -0.218 0.000 1.216 503 P CA -0.044 62.882 63.100 -0.290 0.000 0.771 503 P CB 0.868 32.449 31.700 -0.198 0.000 0.864 504 V N 4.341 124.129 119.914 -0.209 0.000 2.559 504 V HA 0.288 4.408 4.120 -0.000 0.000 0.289 504 V C 0.117 176.053 176.094 -0.263 0.000 1.036 504 V CA -0.622 61.554 62.300 -0.208 0.000 0.887 504 V CB 1.484 33.247 31.823 -0.099 0.000 1.022 504 V HN 0.459 nan 8.190 nan 0.000 0.442 505 R N 2.902 123.214 120.500 -0.313 0.000 2.441 505 R HA 0.418 4.758 4.340 -0.000 0.000 0.284 505 R C -1.223 174.818 176.300 -0.431 0.000 1.070 505 R CA -0.227 55.740 56.100 -0.223 0.000 1.047 505 R CB 0.955 31.157 30.300 -0.164 0.000 1.016 505 R HN 0.605 nan 8.270 nan 0.000 0.477 506 W N 0.970 122.259 121.300 -0.018 0.000 2.578 506 W HA 0.315 4.975 4.660 -0.000 0.000 0.364 506 W C 1.575 178.092 176.519 -0.004 0.000 1.144 506 W CA -0.427 56.917 57.345 -0.001 0.000 1.242 506 W CB 1.086 30.551 29.460 0.008 0.000 1.382 506 W HN 0.565 nan 8.180 nan 0.000 0.625 507 S N 0.761 116.604 115.700 0.238 0.000 2.369 507 S HA -0.259 4.211 4.470 -0.000 0.000 0.225 507 S C 0.923 175.590 174.600 0.113 0.000 1.043 507 S CA 2.170 60.448 58.200 0.129 0.000 1.074 507 S CB -0.664 62.615 63.200 0.131 0.000 0.962 507 S HN 0.645 nan 8.310 nan 0.000 0.433 508 D N 1.631 122.114 120.400 0.140 0.000 2.826 508 D HA 0.012 4.652 4.640 -0.000 0.000 0.247 508 D C 0.121 176.477 176.300 0.094 0.000 1.238 508 D CA 0.007 54.063 54.000 0.094 0.000 0.894 508 D CB -1.476 39.370 40.800 0.075 0.000 1.100 508 D HN 0.240 nan 8.370 nan 0.000 0.453 509 N N -0.627 118.128 118.700 0.091 0.000 2.653 509 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 509 N C -0.008 175.557 175.510 0.091 0.000 1.154 509 N CA 1.611 54.703 53.050 0.071 0.000 0.780 509 N CB -1.968 36.546 38.487 0.044 0.000 1.155 509 N HN 0.702 nan 8.380 nan 0.000 0.570 510 T N -2.917 111.723 114.554 0.144 0.000 2.882 510 T HA 0.615 4.965 4.350 -0.000 0.000 0.287 510 T C 0.580 175.426 174.700 0.243 0.000 1.014 510 T CA -0.402 61.786 62.100 0.147 0.000 1.049 510 T CB 2.165 71.097 68.868 0.107 0.000 1.001 510 T HN 0.064 nan 8.240 nan 0.000 0.525 511 S N 0.370 116.185 115.700 0.192 0.000 2.745 511 S HA 0.940 5.410 4.470 -0.000 0.000 0.306 511 S C -0.545 174.185 174.600 0.216 0.000 1.137 511 S CA -0.584 57.739 58.200 0.205 0.000 0.900 511 S CB 1.669 64.897 63.200 0.047 0.000 1.176 511 S HN 1.412 nan 8.310 nan 0.000 0.520 512 S N -0.059 115.736 115.700 0.158 0.000 2.656 512 S HA 0.539 5.009 4.470 -0.000 0.000 0.263 512 S C -2.330 172.307 174.600 0.062 0.000 1.112 512 S CA -0.935 57.390 58.200 0.208 0.000 0.853 512 S CB 0.391 63.759 63.200 0.280 0.000 1.146 512 S HN 0.729 nan 8.310 nan 0.000 0.484 513 H N -0.216 118.963 119.070 0.181 0.000 2.679 513 H HA 0.753 5.309 4.556 -0.000 0.000 0.360 513 H C -0.474 174.956 175.328 0.169 0.000 1.105 513 H CA -0.520 55.620 56.048 0.153 0.000 1.196 513 H CB 1.495 31.380 29.762 0.206 0.000 1.636 513 H HN 0.627 nan 8.280 nan 0.000 0.531 514 M N 1.083 120.794 119.600 0.185 0.000 2.706 514 M HA 0.641 5.121 4.480 -0.000 0.000 0.304 514 M C 0.002 176.348 176.300 0.076 0.000 1.217 514 M CA -1.288 54.104 55.300 0.154 0.000 0.922 514 M CB 1.734 34.439 32.600 0.174 0.000 1.637 514 M HN 0.689 nan 8.290 nan 0.000 0.492 515 A N 0.797 123.677 122.820 0.102 0.000 2.362 515 A HA 0.662 4.982 4.320 -0.000 0.000 0.276 515 A C 0.120 177.720 177.584 0.025 0.000 1.153 515 A CA -0.271 51.825 52.037 0.099 0.000 0.813 515 A CB -0.176 18.710 19.000 -0.189 0.000 1.081 515 A HN 0.902 nan 8.150 nan 0.000 0.507 516 G N 0.834 109.618 108.800 -0.026 0.000 2.597 516 G HA2 0.730 4.690 3.960 -0.000 0.000 0.317 516 G HA3 0.730 4.690 3.960 -0.000 0.000 0.317 516 G C -0.384 174.768 174.900 0.420 0.000 1.230 516 G CA -0.721 44.372 45.100 -0.011 0.000 0.996 516 G HN 0.944 nan 8.290 nan 0.000 0.490 517 R N -1.119 119.647 120.500 0.443 0.000 2.774 517 R HA 0.179 4.518 4.340 -0.000 0.000 0.279 517 R C -1.801 174.636 176.300 0.228 0.000 1.022 517 R CA -0.772 55.498 56.100 0.282 0.000 0.855 517 R CB 1.186 31.680 30.300 0.325 0.000 1.279 517 R HN 0.501 nan 8.270 nan 0.000 0.485 518 D N 1.240 121.688 120.400 0.079 0.000 2.417 518 D HA 0.060 4.700 4.640 -0.000 0.000 0.250 518 D C 0.697 176.988 176.300 -0.016 0.000 1.166 518 D CA 0.538 54.553 54.000 0.026 0.000 0.881 518 D CB 1.595 42.374 40.800 -0.035 0.000 1.164 518 D HN 0.424 nan 8.370 nan 0.000 0.467 519 T N 1.972 116.502 114.554 -0.040 0.000 2.665 519 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 519 T C 1.908 176.494 174.700 -0.191 0.000 1.035 519 T CA 1.737 63.746 62.100 -0.152 0.000 1.151 519 T CB -0.140 68.588 68.868 -0.233 0.000 0.862 519 T HN 0.549 nan 8.240 nan 0.000 0.438 520 A N 0.956 123.660 122.820 -0.193 0.000 1.927 520 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 520 A C 2.621 180.117 177.584 -0.148 0.000 1.185 520 A CA 2.031 53.960 52.037 -0.180 0.000 0.639 520 A CB -1.166 17.741 19.000 -0.154 0.000 0.820 520 A HN 0.404 nan 8.150 nan 0.000 0.451 521 V N -0.133 119.707 119.914 -0.123 0.000 2.453 521 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 521 V C 2.384 178.424 176.094 -0.089 0.000 1.048 521 V CA 1.789 64.030 62.300 -0.098 0.000 1.049 521 V CB -0.676 31.102 31.823 -0.074 0.000 0.672 521 V HN 0.577 nan 8.190 nan 0.000 0.457 522 I N -0.282 120.205 120.570 -0.139 0.000 2.179 522 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 522 I C 2.343 178.339 176.117 -0.202 0.000 1.088 522 I CA 1.616 62.803 61.300 -0.189 0.000 1.357 522 I CB -0.413 37.331 38.000 -0.427 0.000 1.051 522 I HN 0.225 nan 8.210 nan 0.000 0.409 523 L N -0.165 120.926 121.223 -0.221 0.000 2.046 523 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 523 L C 2.717 179.476 176.870 -0.185 0.000 1.077 523 L CA 1.239 55.942 54.840 -0.229 0.000 0.747 523 L CB -0.604 41.337 42.059 -0.196 0.000 0.896 523 L HN 0.177 nan 8.230 nan 0.000 0.432 524 S N -0.415 115.204 115.700 -0.135 0.000 2.383 524 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 524 S C 1.928 176.504 174.600 -0.040 0.000 1.030 524 S CA 1.304 59.451 58.200 -0.089 0.000 1.002 524 S CB -0.068 63.074 63.200 -0.096 0.000 0.829 524 S HN 0.373 nan 8.310 nan 0.000 0.467 525 K N 0.317 120.706 120.400 -0.018 0.000 2.186 525 K HA 0.166 4.486 4.320 -0.000 0.000 0.202 525 K C 2.153 178.753 176.600 -0.001 0.000 1.052 525 K CA 0.536 56.874 56.287 0.085 0.000 0.965 525 K CB -0.186 32.471 32.500 0.263 0.000 0.746 525 K HN 0.337 nan 8.250 nan 0.000 0.457 526 M N 0.548 119.961 119.600 -0.311 0.000 2.117 526 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 526 M C 2.208 178.379 176.300 -0.215 0.000 1.065 526 M CA 1.635 56.579 55.300 -0.593 0.000 1.114 526 M CB -0.151 31.970 32.600 -0.797 0.000 1.361 526 M HN 0.182 nan 8.290 nan 0.000 0.408 527 A N -0.851 121.900 122.820 -0.115 0.000 2.072 527 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 527 A C 1.895 179.612 177.584 0.221 0.000 1.156 527 A CA 1.508 53.555 52.037 0.016 0.000 0.701 527 A CB -0.624 18.307 19.000 -0.115 0.000 0.816 527 A HN 0.580 nan 8.150 nan 0.000 0.458 528 T N -3.409 111.250 114.554 0.175 0.000 3.069 528 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 528 T C 0.694 175.477 174.700 0.138 0.000 1.053 528 T CA -0.283 61.925 62.100 0.180 0.000 0.964 528 T CB -0.230 68.718 68.868 0.134 0.000 1.005 528 T HN 0.312 nan 8.240 nan 0.000 0.532 529 R N 1.863 122.466 120.500 0.171 0.000 2.196 529 R HA 0.443 4.783 4.340 -0.000 0.000 0.340 529 R C -0.812 175.663 176.300 0.292 0.000 1.043 529 R CA -0.579 55.651 56.100 0.217 0.000 0.883 529 R CB 0.188 30.658 30.300 0.283 0.000 1.078 529 R HN 0.193 nan 8.270 nan 0.000 0.462 530 L N 2.723 124.057 121.223 0.186 0.000 2.304 530 L HA 0.374 4.714 4.340 -0.000 0.000 0.268 530 L C -0.224 176.579 176.870 -0.111 0.000 1.010 530 L CA -0.961 53.930 54.840 0.085 0.000 0.813 530 L CB 1.306 43.366 42.059 0.002 0.000 1.315 530 L HN 0.691 nan 8.230 nan 0.000 0.445 531 D N -1.519 118.546 120.400 -0.558 0.000 2.393 531 D HA 0.212 4.852 4.640 -0.000 0.000 0.232 531 D C 0.532 176.672 176.300 -0.266 0.000 1.192 531 D CA -0.268 53.455 54.000 -0.462 0.000 0.882 531 D CB 1.179 41.522 40.800 -0.761 0.000 1.038 531 D HN 0.336 nan 8.370 nan 0.000 0.499 532 S N 1.324 116.940 115.700 -0.140 0.000 2.425 532 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 532 S C 1.246 175.771 174.600 -0.126 0.000 1.024 532 S CA 0.017 58.153 58.200 -0.106 0.000 0.951 532 S CB 0.035 63.204 63.200 -0.051 0.000 0.796 532 S HN 0.514 nan 8.310 nan 0.000 0.498 533 S N 1.860 117.481 115.700 -0.131 0.000 3.120 533 S HA 0.485 4.955 4.470 -0.000 0.000 0.259 533 S C 0.548 174.949 174.600 -0.331 0.000 1.191 533 S CA -0.013 58.094 58.200 -0.156 0.000 1.257 533 S CB -0.410 62.735 63.200 -0.091 0.000 0.964 533 S HN 0.630 nan 8.310 nan 0.000 0.473 534 G N 0.547 109.176 108.800 -0.284 0.000 2.323 534 G HA2 0.449 4.409 3.960 -0.000 0.000 0.291 534 G HA3 0.449 4.409 3.960 -0.000 0.000 0.291 534 G C -2.004 172.773 174.900 -0.205 0.000 1.278 534 G CA -0.627 44.282 45.100 -0.318 0.000 0.860 534 G HN 0.096 nan 8.290 nan 0.000 0.504 535 E N -0.150 119.948 120.200 -0.169 0.000 2.428 535 E HA 0.559 4.909 4.350 -0.000 0.000 0.307 535 E C -0.202 176.343 176.600 -0.092 0.000 0.902 535 E CA -0.502 55.826 56.400 -0.120 0.000 0.799 535 E CB 2.212 31.860 29.700 -0.088 0.000 1.351 535 E HN 0.895 nan 8.360 nan 0.000 0.392 536 R N 1.033 121.480 120.500 -0.090 0.000 4.217 536 R HA 0.045 4.385 4.340 -0.000 0.000 0.124 536 R C -1.556 174.716 176.300 -0.047 0.000 0.257 536 R CA 0.752 56.822 56.100 -0.049 0.000 0.604 536 R CB -1.260 29.024 30.300 -0.027 0.000 1.110 536 R HN 0.696 nan 8.270 nan 0.000 0.504 537 G N -0.525 108.283 108.800 0.013 0.000 2.759 537 G HA2 0.530 4.490 3.960 -0.000 0.000 0.297 537 G HA3 0.530 4.490 3.960 -0.000 0.000 0.297 537 G C -1.519 173.455 174.900 0.123 0.000 1.434 537 G CA 0.486 45.633 45.100 0.079 0.000 0.980 537 G HN 0.581 nan 8.290 nan 0.000 0.531 538 T N -1.105 113.561 114.554 0.187 0.000 2.903 538 T HA 0.547 4.897 4.350 -0.000 0.000 0.299 538 T C 1.703 176.518 174.700 0.191 0.000 1.093 538 T CA 0.524 62.722 62.100 0.164 0.000 1.002 538 T CB 1.355 70.303 68.868 0.134 0.000 1.127 538 T HN 0.819 nan 8.240 nan 0.000 0.488 539 T N 1.510 116.150 114.554 0.142 0.000 2.849 539 T HA -0.029 4.321 4.350 -0.000 0.000 0.270 539 T C 2.212 176.979 174.700 0.112 0.000 1.066 539 T CA 1.220 63.393 62.100 0.121 0.000 1.130 539 T CB -0.597 68.330 68.868 0.097 0.000 0.864 539 T HN 0.722 nan 8.240 nan 0.000 0.481 540 A N 0.955 123.843 122.820 0.113 0.000 1.883 540 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 540 A C 2.125 179.775 177.584 0.110 0.000 1.186 540 A CA 1.631 53.719 52.037 0.086 0.000 0.624 540 A CB -1.153 17.888 19.000 0.069 0.000 0.822 540 A HN 0.542 nan 8.150 nan 0.000 0.444 541 Y N 0.943 121.284 120.300 0.069 0.000 2.070 541 Y HA -0.188 4.362 4.550 -0.000 0.000 0.279 541 Y C 2.369 178.345 175.900 0.127 0.000 1.134 541 Y CA 2.073 60.233 58.100 0.100 0.000 1.113 541 Y CB -0.633 37.898 38.460 0.118 0.000 0.981 541 Y HN 0.475 nan 8.280 nan 0.000 0.487 542 E N 0.343 120.510 120.200 -0.054 0.000 2.114 542 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 542 E C 2.105 178.679 176.600 -0.044 0.000 1.008 542 E CA 1.805 58.147 56.400 -0.097 0.000 0.810 542 E CB -0.279 29.451 29.700 0.050 0.000 0.739 542 E HN 0.550 nan 8.360 nan 0.000 0.456 543 K N 0.538 120.958 120.400 0.034 0.000 2.032 543 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 543 K C 2.290 178.996 176.600 0.177 0.000 1.048 543 K CA 1.255 57.616 56.287 0.124 0.000 0.927 543 K CB -0.226 32.361 32.500 0.144 0.000 0.712 543 K HN 0.077 nan 8.250 nan 0.000 0.441 544 A N 1.130 123.989 122.820 0.065 0.000 1.902 544 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 544 A C 2.415 180.115 177.584 0.194 0.000 1.181 544 A CA 1.450 53.577 52.037 0.149 0.000 0.623 544 A CB -0.723 18.313 19.000 0.059 0.000 0.818 544 A HN 0.078 nan 8.150 nan 0.000 0.443 545 V N -0.084 119.805 119.914 -0.042 0.000 2.287 545 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 545 V C 3.068 179.326 176.094 0.274 0.000 1.053 545 V CA 2.099 64.438 62.300 0.065 0.000 1.027 545 V CB -1.253 30.486 31.823 -0.140 0.000 0.646 545 V HN 0.638 nan 8.190 nan 0.000 0.447 546 A N -0.435 122.501 122.820 0.193 0.000 1.877 546 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 546 A C 2.121 179.907 177.584 0.337 0.000 1.186 546 A CA 2.084 54.255 52.037 0.224 0.000 0.620 546 A CB -0.760 18.332 19.000 0.155 0.000 0.822 546 A HN 0.521 nan 8.150 nan 0.000 0.443 547 F N 1.693 121.790 119.950 0.246 0.000 2.095 547 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 547 F C 2.528 178.482 175.800 0.256 0.000 1.104 547 F CA 1.830 59.996 58.000 0.277 0.000 1.232 547 F CB -0.753 38.513 39.000 0.445 0.000 0.987 547 F HN 0.202 nan 8.300 nan 0.000 0.475 548 S N 0.103 115.879 115.700 0.127 0.000 2.370 548 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 548 S C 1.904 176.496 174.600 -0.013 0.000 1.033 548 S CA 1.590 59.807 58.200 0.029 0.000 1.011 548 S CB -0.806 62.553 63.200 0.266 0.000 0.852 548 S HN 0.388 nan 8.310 nan 0.000 0.457 549 F N 1.217 121.229 119.950 0.103 0.000 2.325 549 F HA 0.118 4.645 4.527 -0.000 0.000 0.299 549 F C 1.970 177.847 175.800 0.128 0.000 1.090 549 F CA 0.319 58.447 58.000 0.212 0.000 1.392 549 F CB -0.295 38.837 39.000 0.219 0.000 1.053 549 F HN 0.146 nan 8.300 nan 0.000 0.521 550 L N -0.405 120.922 121.223 0.173 0.000 2.017 550 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 550 L C 2.235 179.146 176.870 0.069 0.000 1.073 550 L CA 1.457 56.367 54.840 0.117 0.000 0.745 550 L CB -0.472 41.662 42.059 0.124 0.000 0.894 550 L HN 0.159 nan 8.230 nan 0.000 0.432 551 L N -1.089 120.025 121.223 -0.180 0.000 2.079 551 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 551 L C 2.501 179.228 176.870 -0.239 0.000 1.081 551 L CA 1.421 56.058 54.840 -0.338 0.000 0.752 551 L CB -0.357 41.280 42.059 -0.704 0.000 0.896 551 L HN 0.346 nan 8.230 nan 0.000 0.433 552 M N -2.210 117.211 119.600 -0.298 0.000 2.435 552 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 552 M C 0.647 176.507 176.300 -0.733 0.000 1.104 552 M CA 1.373 56.325 55.300 -0.579 0.000 1.140 552 M CB 0.352 32.385 32.600 -0.946 0.000 1.372 552 M HN 0.105 nan 8.290 nan 0.000 0.456 553 Y N -1.829 118.518 120.300 0.079 0.000 2.738 553 Y HA 0.220 4.770 4.550 -0.000 0.000 0.249 553 Y C 1.903 177.598 175.900 -0.342 0.000 1.157 553 Y CA -0.386 57.645 58.100 -0.115 0.000 1.189 553 Y CB -0.338 38.021 38.460 -0.168 0.000 1.262 553 Y HN 0.156 nan 8.280 nan 0.000 0.554 554 S N 0.112 115.854 115.700 0.071 0.000 2.461 554 S HA -0.237 4.233 4.470 -0.000 0.000 0.246 554 S C 1.560 176.166 174.600 0.010 0.000 1.007 554 S CA 1.534 59.776 58.200 0.071 0.000 0.976 554 S CB -0.799 62.587 63.200 0.309 0.000 0.763 554 S HN 0.792 nan 8.310 nan 0.000 0.508 555 W N 1.901 123.264 121.300 0.104 0.000 2.519 555 W HA 0.231 4.891 4.660 -0.000 0.000 0.266 555 W C 0.471 177.014 176.519 0.039 0.000 1.253 555 W CA 0.110 57.477 57.345 0.036 0.000 1.274 555 W CB -0.995 28.494 29.460 0.048 0.000 1.114 555 W HN 0.326 nan 8.180 nan 0.000 0.596 556 N N 2.808 120.997 118.700 -0.851 0.000 2.437 556 N HA 0.126 4.866 4.740 -0.000 0.000 0.243 556 N C -1.847 173.467 175.510 -0.326 0.000 1.041 556 N CA -1.382 51.203 53.050 -0.776 0.000 0.940 556 N CB 1.515 39.211 38.487 -1.320 0.000 1.133 556 N HN -0.356 nan 8.380 nan 0.000 0.506 557 P HA -0.265 nan 4.420 nan 0.000 0.214 557 P C 1.496 178.751 177.300 -0.075 0.000 1.169 557 P CA 0.927 63.981 63.100 -0.078 0.000 0.908 557 P CB 0.290 31.980 31.700 -0.017 0.000 0.791 558 L N -0.566 120.625 121.223 -0.054 0.000 1.978 558 L HA -0.225 4.115 4.340 -0.000 0.000 0.218 558 L C 2.221 179.043 176.870 -0.080 0.000 1.075 558 L CA 2.093 56.916 54.840 -0.027 0.000 0.767 558 L CB -0.862 41.199 42.059 0.004 0.000 0.890 558 L HN -0.123 nan 8.230 nan 0.000 0.434 559 V N -0.272 119.555 119.914 -0.146 0.000 2.255 559 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 559 V C 2.638 178.680 176.094 -0.086 0.000 1.051 559 V CA 2.297 64.514 62.300 -0.139 0.000 1.018 559 V CB -0.931 30.782 31.823 -0.184 0.000 0.641 559 V HN 0.532 nan 8.190 nan 0.000 0.445 560 R N 0.253 120.693 120.500 -0.100 0.000 2.113 560 R HA -0.251 4.089 4.340 -0.000 0.000 0.244 560 R C 2.540 178.802 176.300 -0.063 0.000 1.142 560 R CA 2.279 58.335 56.100 -0.072 0.000 0.953 560 R CB -0.257 29.983 30.300 -0.100 0.000 0.860 560 R HN 0.466 nan 8.270 nan 0.000 0.438 561 R N -0.155 120.306 120.500 -0.064 0.000 2.115 561 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 561 R C 2.345 178.614 176.300 -0.052 0.000 1.111 561 R CA 1.461 57.527 56.100 -0.056 0.000 0.976 561 R CB -0.204 30.068 30.300 -0.046 0.000 0.870 561 R HN 0.347 nan 8.270 nan 0.000 0.445 562 I N -0.162 120.377 120.570 -0.052 0.000 2.286 562 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 562 I C 2.190 178.283 176.117 -0.041 0.000 1.104 562 I CA 0.821 62.088 61.300 -0.054 0.000 1.397 562 I CB -0.238 37.719 38.000 -0.072 0.000 1.072 562 I HN 0.253 nan 8.210 nan 0.000 0.417 563 C N 0.789 120.075 119.300 -0.023 0.000 2.432 563 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 563 C C 2.733 177.731 174.990 0.013 0.000 1.249 563 C CA 0.620 59.651 59.018 0.021 0.000 1.725 563 C CB -1.028 26.752 27.740 0.068 0.000 2.028 563 C HN 0.434 nan 8.230 nan 0.000 0.477 564 L N 0.299 121.509 121.223 -0.021 0.000 1.989 564 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 564 L C 2.592 179.435 176.870 -0.045 0.000 1.071 564 L CA 1.544 56.355 54.840 -0.048 0.000 0.749 564 L CB -0.788 41.224 42.059 -0.078 0.000 0.890 564 L HN 0.379 nan 8.230 nan 0.000 0.431 565 L N -0.833 120.361 121.223 -0.048 0.000 2.081 565 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 565 L C 2.494 179.345 176.870 -0.032 0.000 1.080 565 L CA 1.001 55.810 54.840 -0.052 0.000 0.754 565 L CB -0.539 41.486 42.059 -0.058 0.000 0.893 565 L HN 0.101 nan 8.230 nan 0.000 0.433 566 V N -0.113 119.792 119.914 -0.014 0.000 2.244 566 V HA -0.283 3.837 4.120 -0.000 0.000 0.244 566 V C 2.349 178.465 176.094 0.037 0.000 1.042 566 V CA 1.716 64.021 62.300 0.010 0.000 1.006 566 V CB -0.401 31.434 31.823 0.021 0.000 0.641 566 V HN 0.309 nan 8.190 nan 0.000 0.446 567 L N 0.157 121.410 121.223 0.050 0.000 2.079 567 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 567 L C 2.558 179.447 176.870 0.031 0.000 1.081 567 L CA 1.636 56.514 54.840 0.064 0.000 0.752 567 L CB -0.678 41.399 42.059 0.031 0.000 0.896 567 L HN 0.274 nan 8.230 nan 0.000 0.433 568 S N -1.089 114.612 115.700 0.000 0.000 2.440 568 S HA -0.163 4.307 4.470 -0.000 0.000 0.240 568 S C 0.854 175.470 174.600 0.027 0.000 1.014 568 S CA 0.924 59.126 58.200 0.003 0.000 0.980 568 S CB -0.323 62.853 63.200 -0.039 0.000 0.775 568 S HN 0.468 nan 8.310 nan 0.000 0.499 569 Q N 0.497 120.315 119.800 0.030 0.000 2.306 569 Q HA 0.278 4.618 4.340 -0.000 0.000 0.241 569 Q C -0.289 175.749 176.000 0.064 0.000 0.948 569 Q CA -0.349 55.477 55.803 0.039 0.000 0.886 569 Q CB 0.274 29.031 28.738 0.031 0.000 1.227 569 Q HN 0.217 nan 8.270 nan 0.000 0.457 570 Q N 0.403 120.240 119.800 0.062 0.000 2.410 570 Q HA -0.209 4.131 4.340 -0.000 0.000 0.369 570 Q C -1.934 174.116 176.000 0.084 0.000 1.342 570 Q CA -0.301 55.544 55.803 0.070 0.000 1.133 570 Q CB -0.674 28.105 28.738 0.067 0.000 1.288 570 Q HN 0.465 nan 8.270 nan 0.000 0.320 571 P HA -0.151 nan 4.420 nan 0.000 0.225 571 P C 0.139 177.493 177.300 0.090 0.000 1.156 571 P CA 1.009 64.167 63.100 0.097 0.000 0.787 571 P CB 0.231 31.992 31.700 0.102 0.000 0.802 572 E N -0.224 120.022 120.200 0.077 0.000 2.515 572 E HA -0.021 4.329 4.350 -0.000 0.000 0.201 572 E C 0.358 176.995 176.600 0.061 0.000 1.071 572 E CA 0.534 56.972 56.400 0.064 0.000 0.880 572 E CB -0.743 28.990 29.700 0.055 0.000 0.828 572 E HN 0.267 nan 8.360 nan 0.000 0.540 573 T N -1.619 112.978 114.554 0.071 0.000 2.881 573 T HA 0.358 4.708 4.350 -0.000 0.000 0.290 573 T C -0.713 174.027 174.700 0.067 0.000 1.000 573 T CA -1.158 60.978 62.100 0.059 0.000 0.978 573 T CB 1.920 70.820 68.868 0.054 0.000 0.997 573 T HN -0.237 nan 8.240 nan 0.000 0.443 574 D N 3.767 124.189 120.400 0.037 0.000 2.344 574 D HA 0.451 5.091 4.640 -0.000 0.000 0.244 574 D C -1.989 174.269 176.300 -0.069 0.000 1.134 574 D CA -0.786 53.218 54.000 0.006 0.000 0.930 574 D CB 0.663 41.457 40.800 -0.010 0.000 1.175 574 D HN 0.393 nan 8.370 nan 0.000 0.437 575 P HA 0.077 nan 4.420 nan 0.000 0.271 575 P C -0.769 176.388 177.300 -0.238 0.000 1.244 575 P CA -0.427 62.524 63.100 -0.249 0.000 0.793 575 P CB 0.560 31.934 31.700 -0.544 0.000 0.984 576 S N -0.451 115.150 115.700 -0.164 0.000 2.585 576 S HA 0.221 4.691 4.470 -0.000 0.000 0.277 576 S C 0.564 174.964 174.600 -0.333 0.000 1.241 576 S CA -0.582 57.508 58.200 -0.185 0.000 1.041 576 S CB 0.161 63.415 63.200 0.090 0.000 0.987 576 S HN 0.227 nan 8.310 nan 0.000 0.512 577 K N 1.858 121.923 120.400 -0.557 0.000 2.387 577 K HA 0.167 4.487 4.320 -0.000 0.000 0.198 577 K C 0.295 176.796 176.600 -0.166 0.000 1.022 577 K CA -0.050 55.886 56.287 -0.586 0.000 1.128 577 K CB 0.110 32.154 32.500 -0.760 0.000 0.853 577 K HN 0.539 nan 8.250 nan 0.000 0.523 578 H N -0.025 119.090 119.070 0.076 0.000 2.539 578 H HA 0.209 4.765 4.556 -0.000 0.000 0.267 578 H C 0.739 176.241 175.328 0.291 0.000 0.982 578 H CA -0.048 56.091 56.048 0.151 0.000 1.146 578 H CB 0.041 29.874 29.762 0.118 0.000 1.382 578 H HN 0.205 nan 8.280 nan 0.000 0.577 579 A N 0.175 123.223 122.820 0.380 0.000 2.336 579 A HA 0.308 4.628 4.320 -0.000 0.000 0.291 579 A C 1.567 179.303 177.584 0.253 0.000 1.266 579 A CA -0.007 52.237 52.037 0.345 0.000 0.891 579 A CB 0.242 19.382 19.000 0.234 0.000 1.366 579 A HN 0.212 nan 8.150 nan 0.000 0.507 580 T N -1.012 113.668 114.554 0.210 0.000 2.708 580 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 580 T C 0.131 174.798 174.700 -0.056 0.000 1.037 580 T CA 1.705 63.837 62.100 0.053 0.000 1.146 580 T CB -0.423 68.456 68.868 0.019 0.000 0.865 580 T HN 0.499 nan 8.240 nan 0.000 0.435 581 Y N -0.298 120.152 120.300 0.250 0.000 2.698 581 Y HA 0.580 5.130 4.550 -0.000 0.000 0.332 581 Y C -1.003 175.186 175.900 0.481 0.000 1.119 581 Y CA -1.859 56.417 58.100 0.294 0.000 1.109 581 Y CB 1.778 40.320 38.460 0.137 0.000 1.308 581 Y HN 0.267 nan 8.280 nan 0.000 0.499 582 Y N -0.955 119.707 120.300 0.603 0.000 2.573 582 Y HA 0.539 5.089 4.550 -0.000 0.000 0.328 582 Y C -2.142 173.872 175.900 0.190 0.000 1.170 582 Y CA -2.158 56.137 58.100 0.325 0.000 1.078 582 Y CB 0.222 38.715 38.460 0.055 0.000 1.341 582 Y HN 0.522 nan 8.280 nan 0.000 0.459 583 Y N 0.812 121.062 120.300 -0.083 0.000 2.457 583 Y HA 0.818 5.368 4.550 -0.000 0.000 0.333 583 Y C -0.880 175.004 175.900 -0.027 0.000 1.119 583 Y CA -1.869 56.025 58.100 -0.343 0.000 1.143 583 Y CB 1.781 39.626 38.460 -1.025 0.000 1.230 583 Y HN 0.746 nan 8.280 nan 0.000 0.469 584 K N 2.315 122.846 120.400 0.218 0.000 2.450 584 K HA 0.567 4.886 4.320 -0.000 0.000 0.257 584 K C 0.097 176.881 176.600 0.307 0.000 0.953 584 K CA 0.187 56.628 56.287 0.256 0.000 0.844 584 K CB 1.130 33.749 32.500 0.200 0.000 1.103 584 K HN 1.161 nan 8.250 nan 0.000 0.429 585 G N 3.002 111.968 108.800 0.276 0.000 2.715 585 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.221 585 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.221 585 G C -1.280 173.685 174.900 0.109 0.000 1.204 585 G CA -0.161 45.059 45.100 0.200 0.000 1.063 585 G HN 0.610 nan 8.290 nan 0.000 0.586 586 D N 1.928 122.326 120.400 -0.003 0.000 2.392 586 D HA 0.630 5.270 4.640 -0.000 0.000 0.228 586 D C -0.817 175.316 176.300 -0.278 0.000 1.074 586 D CA -1.918 52.014 54.000 -0.114 0.000 0.838 586 D CB 1.670 42.460 40.800 -0.017 0.000 1.067 586 D HN 0.014 nan 8.370 nan 0.000 0.511 587 P HA -0.225 nan 4.420 nan 0.000 0.216 587 P C 1.596 178.770 177.300 -0.211 0.000 1.167 587 P CA 0.968 63.574 63.100 -0.825 0.000 0.933 587 P CB 0.167 31.232 31.700 -1.058 0.000 0.793 588 I N -1.216 119.275 120.570 -0.132 0.000 2.530 588 I HA -0.149 4.021 4.170 -0.000 0.000 0.257 588 I C 2.251 178.407 176.117 0.064 0.000 1.179 588 I CA 1.801 63.102 61.300 0.003 0.000 1.440 588 I CB -2.188 35.833 38.000 0.036 0.000 1.087 588 I HN 0.040 nan 8.210 nan 0.000 0.440 589 G N 0.891 109.690 108.800 -0.002 0.000 2.547 589 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 589 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 589 G C 1.875 176.747 174.900 -0.046 0.000 1.254 589 G CA 1.135 46.204 45.100 -0.052 0.000 0.817 589 G HN 0.429 nan 8.290 nan 0.000 0.551 590 A N 0.089 122.860 122.820 -0.081 0.000 1.954 590 A HA -0.285 4.035 4.320 -0.000 0.000 0.222 590 A C 2.211 179.848 177.584 0.087 0.000 1.199 590 A CA 2.320 54.351 52.037 -0.011 0.000 0.657 590 A CB -1.064 18.006 19.000 0.116 0.000 0.823 590 A HN 0.671 nan 8.150 nan 0.000 0.463 591 Y N 0.502 120.839 120.300 0.062 0.000 2.283 591 Y HA -0.297 4.253 4.550 -0.000 0.000 0.285 591 Y C 2.278 178.120 175.900 -0.097 0.000 1.176 591 Y CA 2.491 60.584 58.100 -0.012 0.000 1.229 591 Y CB -0.113 38.365 38.460 0.029 0.000 0.975 591 Y HN 0.352 nan 8.280 nan 0.000 0.537 592 K N 0.613 121.062 120.400 0.083 0.000 2.044 592 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 592 K C 1.867 178.378 176.600 -0.147 0.000 1.049 592 K CA 1.826 58.098 56.287 -0.026 0.000 0.945 592 K CB -0.776 31.715 32.500 -0.015 0.000 0.724 592 K HN 0.283 nan 8.250 nan 0.000 0.440 593 D N -0.268 120.041 120.400 -0.151 0.000 2.239 593 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 593 D C 1.516 177.721 176.300 -0.159 0.000 0.993 593 D CA 1.838 55.744 54.000 -0.156 0.000 0.874 593 D CB 0.239 40.934 40.800 -0.176 0.000 0.922 593 D HN 0.183 nan 8.370 nan 0.000 0.464 594 V N -2.315 117.437 119.914 -0.271 0.000 2.854 594 V HA 0.117 4.237 4.120 -0.000 0.000 0.236 594 V C 2.362 178.090 176.094 -0.610 0.000 1.157 594 V CA -0.114 61.934 62.300 -0.419 0.000 1.187 594 V CB -0.402 31.078 31.823 -0.571 0.000 0.949 594 V HN -0.030 nan 8.190 nan 0.000 0.488 595 I N 2.244 122.367 120.570 -0.745 0.000 2.567 595 I HA 0.060 4.230 4.170 -0.000 0.000 0.257 595 I C 2.298 178.134 176.117 -0.468 0.000 1.184 595 I CA 1.845 62.703 61.300 -0.735 0.000 1.451 595 I CB -1.481 35.943 38.000 -0.960 0.000 1.089 595 I HN 0.750 nan 8.210 nan 0.000 0.441 596 G N 0.791 109.376 108.800 -0.358 0.000 2.284 596 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.247 596 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.247 596 G C 0.762 175.509 174.900 -0.255 0.000 1.012 596 G CA 0.285 45.229 45.100 -0.261 0.000 0.618 596 G HN 0.396 nan 8.290 nan 0.000 0.521 597 R N -0.264 120.051 120.500 -0.309 0.000 3.006 597 R HA 0.563 4.903 4.340 -0.000 0.000 0.235 597 R C -0.387 175.950 176.300 0.062 0.000 1.362 597 R CA -0.796 55.156 56.100 -0.247 0.000 1.067 597 R CB 0.675 30.535 30.300 -0.734 0.000 1.396 597 R HN 0.217 nan 8.270 nan 0.000 0.504 598 N N 0.391 119.206 118.700 0.193 0.000 2.443 598 N HA 0.160 4.900 4.740 -0.000 0.000 0.295 598 N C 0.783 176.520 175.510 0.378 0.000 1.076 598 N CA -0.295 52.914 53.050 0.265 0.000 0.919 598 N CB 1.558 40.136 38.487 0.152 0.000 1.176 598 N HN 0.370 nan 8.380 nan 0.000 0.487 599 L N 1.694 122.991 121.223 0.125 0.000 2.012 599 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 599 L C 1.848 178.698 176.870 -0.033 0.000 1.073 599 L CA 1.449 56.160 54.840 -0.215 0.000 0.748 599 L CB -0.195 41.489 42.059 -0.625 0.000 0.891 599 L HN 0.627 nan 8.230 nan 0.000 0.431 600 S N -0.562 115.148 115.700 0.016 0.000 2.462 600 S HA -0.242 4.228 4.470 -0.000 0.000 0.243 600 S C 1.522 176.155 174.600 0.054 0.000 1.003 600 S CA 1.432 59.651 58.200 0.030 0.000 0.970 600 S CB -0.357 62.878 63.200 0.059 0.000 0.762 600 S HN 0.546 nan 8.310 nan 0.000 0.510 601 E N 0.285 120.575 120.200 0.150 0.000 2.371 601 E HA 0.107 4.457 4.350 -0.000 0.000 0.194 601 E C 0.155 176.765 176.600 0.018 0.000 1.012 601 E CA -0.186 56.346 56.400 0.221 0.000 0.860 601 E CB 0.040 30.033 29.700 0.487 0.000 0.811 601 E HN 0.198 nan 8.360 nan 0.000 0.502 602 L N 2.446 123.538 121.223 -0.219 0.000 2.699 602 L HA -0.047 4.293 4.340 -0.000 0.000 0.283 602 L C 1.047 177.699 176.870 -0.363 0.000 1.166 602 L CA 1.149 55.599 54.840 -0.649 0.000 1.043 602 L CB -0.078 41.714 42.059 -0.446 0.000 1.369 602 L HN -0.037 nan 8.230 nan 0.000 0.462 603 K N 4.137 124.320 120.400 -0.361 0.000 2.186 603 K HA 0.038 4.358 4.320 -0.000 0.000 0.202 603 K C 0.510 176.989 176.600 -0.202 0.000 1.052 603 K CA 0.395 56.559 56.287 -0.207 0.000 0.965 603 K CB 0.518 32.934 32.500 -0.139 0.000 0.746 603 K HN 0.596 nan 8.250 nan 0.000 0.457 604 R N 0.076 120.416 120.500 -0.266 0.000 2.561 604 R HA 0.171 4.511 4.340 -0.000 0.000 0.266 604 R C -1.752 174.405 176.300 -0.238 0.000 1.091 604 R CA -0.412 55.551 56.100 -0.228 0.000 0.927 604 R CB 2.059 32.219 30.300 -0.234 0.000 1.240 604 R HN -0.084 nan 8.270 nan 0.000 0.449 605 T N 1.567 116.019 114.554 -0.169 0.000 2.823 605 T HA 0.391 4.741 4.350 -0.000 0.000 0.279 605 T C 0.098 174.699 174.700 -0.165 0.000 0.998 605 T CA -0.354 61.688 62.100 -0.097 0.000 0.994 605 T CB 1.649 70.567 68.868 0.084 0.000 0.960 605 T HN 0.721 nan 8.240 nan 0.000 0.448 606 G N 1.906 110.608 108.800 -0.164 0.000 2.138 606 G HA2 0.099 4.059 3.960 -0.000 0.000 0.244 606 G HA3 0.099 4.059 3.960 -0.000 0.000 0.244 606 G C 0.863 175.784 174.900 0.034 0.000 1.166 606 G CA -0.194 44.811 45.100 -0.157 0.000 0.902 606 G HN 0.808 nan 8.290 nan 0.000 0.460 607 F N 0.630 120.584 119.950 0.006 0.000 2.084 607 F HA -0.047 4.480 4.527 -0.000 0.000 0.296 607 F C 2.364 178.177 175.800 0.022 0.000 1.111 607 F CA 1.007 59.021 58.000 0.023 0.000 1.224 607 F CB -0.413 38.596 39.000 0.017 0.000 0.991 607 F HN 0.471 nan 8.300 nan 0.000 0.471 608 E N 1.192 121.652 120.200 0.432 0.000 2.012 608 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 608 E C 1.966 178.630 176.600 0.107 0.000 1.007 608 E CA 1.554 58.040 56.400 0.143 0.000 0.816 608 E CB -0.315 29.425 29.700 0.067 0.000 0.762 608 E HN 0.110 nan 8.360 nan 0.000 0.451 609 K N 1.123 121.576 120.400 0.088 0.000 2.173 609 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 609 K C 1.877 178.495 176.600 0.030 0.000 1.046 609 K CA 0.931 57.214 56.287 -0.007 0.000 0.929 609 K CB -0.352 32.089 32.500 -0.098 0.000 0.720 609 K HN 0.110 nan 8.250 nan 0.000 0.453 610 L N -0.591 120.701 121.223 0.114 0.000 2.131 610 L HA 0.052 4.392 4.340 -0.000 0.000 0.206 610 L C 1.947 178.910 176.870 0.155 0.000 1.087 610 L CA 1.740 56.696 54.840 0.193 0.000 0.767 610 L CB -0.999 41.198 42.059 0.230 0.000 0.917 610 L HN 0.256 nan 8.230 nan 0.000 0.441 611 A N 0.084 122.983 122.820 0.131 0.000 1.933 611 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 611 A C 2.103 179.730 177.584 0.073 0.000 1.175 611 A CA 1.766 53.868 52.037 0.108 0.000 0.628 611 A CB -0.761 18.291 19.000 0.088 0.000 0.814 611 A HN 0.595 nan 8.150 nan 0.000 0.444 612 N N 0.388 119.118 118.700 0.051 0.000 2.080 612 N HA -0.080 4.660 4.740 -0.000 0.000 0.189 612 N C 1.538 177.062 175.510 0.022 0.000 1.036 612 N CA 1.391 54.453 53.050 0.021 0.000 0.846 612 N CB -0.214 38.270 38.487 -0.005 0.000 1.015 612 N HN 0.478 nan 8.380 nan 0.000 0.423 613 L N 0.687 121.939 121.223 0.049 0.000 2.633 613 L HA -0.008 4.332 4.340 -0.000 0.000 0.235 613 L C 0.757 177.651 176.870 0.038 0.000 1.163 613 L CA 0.425 55.312 54.840 0.078 0.000 0.859 613 L CB -0.303 41.878 42.059 0.203 0.000 0.973 613 L HN 0.160 nan 8.230 nan 0.000 0.451 614 N N -0.990 117.715 118.700 0.008 0.000 2.184 614 N HA 0.098 4.838 4.740 -0.000 0.000 0.206 614 N C 1.690 177.135 175.510 -0.109 0.000 1.151 614 N CA -0.015 52.974 53.050 -0.102 0.000 0.878 614 N CB 0.711 39.180 38.487 -0.030 0.000 1.014 614 N HN 0.234 nan 8.380 nan 0.000 0.512 615 L N 1.265 122.469 121.223 -0.032 0.000 1.971 615 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 615 L C 2.227 179.074 176.870 -0.037 0.000 1.072 615 L CA 1.841 56.678 54.840 -0.006 0.000 0.758 615 L CB -0.529 41.534 42.059 0.007 0.000 0.889 615 L HN 0.223 nan 8.230 nan 0.000 0.433 616 S N -0.386 115.276 115.700 -0.062 0.000 2.440 616 S HA -0.238 4.232 4.470 -0.000 0.000 0.240 616 S C 1.898 176.430 174.600 -0.114 0.000 1.014 616 S CA 1.262 59.426 58.200 -0.060 0.000 0.980 616 S CB -0.821 62.340 63.200 -0.063 0.000 0.775 616 S HN 0.447 nan 8.310 nan 0.000 0.499 617 L N 1.118 122.180 121.223 -0.269 0.000 2.046 617 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 617 L C 2.895 179.645 176.870 -0.200 0.000 1.077 617 L CA 1.635 56.164 54.840 -0.517 0.000 0.747 617 L CB -0.758 40.465 42.059 -1.392 0.000 0.896 617 L HN 0.411 nan 8.230 nan 0.000 0.432 618 S N -1.363 114.365 115.700 0.046 0.000 2.325 618 S HA -0.135 4.335 4.470 -0.000 0.000 0.214 618 S C 1.942 176.621 174.600 0.131 0.000 1.031 618 S CA 1.401 59.756 58.200 0.258 0.000 0.972 618 S CB -0.495 62.876 63.200 0.284 0.000 0.908 618 S HN 0.297 nan 8.310 nan 0.000 0.453 619 T N 2.846 117.449 114.554 0.082 0.000 2.649 619 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 619 T C 1.332 176.072 174.700 0.066 0.000 1.036 619 T CA 1.253 63.390 62.100 0.063 0.000 1.157 619 T CB -0.513 68.383 68.868 0.046 0.000 0.861 619 T HN 0.240 nan 8.240 nan 0.000 0.445 620 L N 0.265 121.529 121.223 0.069 0.000 2.629 620 L HA 0.288 4.628 4.340 -0.000 0.000 0.230 620 L C 1.684 178.611 176.870 0.095 0.000 1.151 620 L CA 0.086 54.987 54.840 0.101 0.000 0.924 620 L CB -0.455 41.687 42.059 0.138 0.000 1.137 620 L HN 0.425 nan 8.230 nan 0.000 0.457 621 G N 0.345 109.202 108.800 0.094 0.000 2.321 621 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.287 621 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 621 G C 0.794 175.769 174.900 0.124 0.000 1.018 621 G CA 0.542 45.709 45.100 0.112 0.000 0.855 621 G HN 0.220 nan 8.290 nan 0.000 0.507 622 V N -1.126 118.851 119.914 0.105 0.000 2.453 622 V HA 0.111 4.231 4.120 -0.000 0.000 0.247 622 V C 1.605 177.809 176.094 0.184 0.000 1.048 622 V CA 2.188 64.536 62.300 0.079 0.000 1.049 622 V CB -0.626 31.172 31.823 -0.042 0.000 0.672 622 V HN 0.870 nan 8.190 nan 0.000 0.457 623 W N 0.279 121.577 121.300 -0.002 0.000 2.967 623 W HA 0.715 5.375 4.660 -0.000 0.000 0.342 623 W C -0.186 176.321 176.519 -0.020 0.000 1.162 623 W CA -0.964 56.374 57.345 -0.011 0.000 1.085 623 W CB 0.247 29.699 29.460 -0.014 0.000 1.460 623 W HN -0.002 nan 8.180 nan 0.000 0.584 624 T N -0.928 113.620 114.554 -0.010 0.000 2.949 624 T HA 0.390 4.740 4.350 -0.000 0.000 0.287 624 T C 0.738 175.123 174.700 -0.526 0.000 1.034 624 T CA -0.518 61.446 62.100 -0.227 0.000 1.018 624 T CB 1.934 70.694 68.868 -0.180 0.000 1.135 624 T HN 0.316 nan 8.240 nan 0.000 0.532 625 K N 0.392 120.509 120.400 -0.470 0.000 2.063 625 K HA -0.100 4.219 4.320 -0.000 0.000 0.208 625 K C 1.963 178.392 176.600 -0.286 0.000 1.048 625 K CA 2.044 58.066 56.287 -0.443 0.000 0.928 625 K CB -1.024 31.280 32.500 -0.327 0.000 0.713 625 K HN 0.785 nan 8.250 nan 0.000 0.442 626 H N -0.101 118.821 119.070 -0.245 0.000 2.457 626 H HA -0.012 4.544 4.556 -0.000 0.000 0.294 626 H C 1.494 176.716 175.328 -0.178 0.000 1.064 626 H CA 0.911 56.852 56.048 -0.178 0.000 1.330 626 H CB -0.079 29.614 29.762 -0.115 0.000 1.395 626 H HN 0.187 nan 8.280 nan 0.000 0.541 627 T N 0.207 114.704 114.554 -0.094 0.000 2.620 627 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 627 T C 2.280 176.953 174.700 -0.044 0.000 1.044 627 T CA 1.705 63.776 62.100 -0.048 0.000 1.161 627 T CB -0.403 68.472 68.868 0.013 0.000 0.862 627 T HN 0.315 nan 8.240 nan 0.000 0.438 628 S N 0.481 116.093 115.700 -0.147 0.000 2.351 628 S HA -0.131 4.339 4.470 -0.000 0.000 0.220 628 S C 2.078 176.650 174.600 -0.046 0.000 1.035 628 S CA 1.436 59.595 58.200 -0.068 0.000 1.031 628 S CB -0.292 62.834 63.200 -0.123 0.000 0.928 628 S HN 0.486 nan 8.310 nan 0.000 0.433 629 K N 0.755 121.115 120.400 -0.066 0.000 2.009 629 K HA -0.072 4.248 4.320 -0.000 0.000 0.210 629 K C 2.477 179.043 176.600 -0.057 0.000 1.049 629 K CA 1.056 57.304 56.287 -0.064 0.000 0.929 629 K CB -0.109 32.336 32.500 -0.092 0.000 0.714 629 K HN 0.157 nan 8.250 nan 0.000 0.440 630 R N 0.424 120.896 120.500 -0.048 0.000 2.115 630 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 630 R C 2.304 178.584 176.300 -0.033 0.000 1.133 630 R CA 1.860 57.938 56.100 -0.038 0.000 0.935 630 R CB -0.553 29.740 30.300 -0.011 0.000 0.853 630 R HN 0.278 nan 8.270 nan 0.000 0.433 631 I N 0.920 121.478 120.570 -0.019 0.000 2.226 631 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 631 I C 2.497 178.594 176.117 -0.033 0.000 1.100 631 I CA 1.395 62.682 61.300 -0.022 0.000 1.374 631 I CB -0.787 37.211 38.000 -0.003 0.000 1.057 631 I HN 0.232 nan 8.210 nan 0.000 0.413 632 I N 0.553 121.104 120.570 -0.031 0.000 2.091 632 I HA -0.388 3.782 4.170 -0.000 0.000 0.239 632 I C 2.690 178.781 176.117 -0.044 0.000 1.061 632 I CA 1.612 62.891 61.300 -0.035 0.000 1.317 632 I CB -0.489 37.492 38.000 -0.032 0.000 1.031 632 I HN 0.320 nan 8.210 nan 0.000 0.401 633 Q N 0.344 120.114 119.800 -0.049 0.000 2.112 633 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 633 Q C 1.856 177.819 176.000 -0.062 0.000 0.987 633 Q CA 1.871 57.642 55.803 -0.054 0.000 0.858 633 Q CB -0.249 28.453 28.738 -0.059 0.000 0.905 633 Q HN 0.476 nan 8.270 nan 0.000 0.420 634 D N -0.201 120.163 120.400 -0.061 0.000 2.158 634 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 634 D C 1.820 178.067 176.300 -0.088 0.000 0.995 634 D CA 1.013 54.970 54.000 -0.072 0.000 0.846 634 D CB -0.267 40.495 40.800 -0.062 0.000 0.941 634 D HN 0.301 nan 8.370 nan 0.000 0.456 635 C N -0.392 118.862 119.300 -0.077 0.000 2.543 635 C HA -0.032 4.428 4.460 -0.000 0.000 0.281 635 C C 2.897 177.832 174.990 -0.091 0.000 1.276 635 C CA -0.051 58.916 59.018 -0.085 0.000 1.700 635 C CB -0.870 26.834 27.740 -0.060 0.000 2.093 635 C HN 0.160 nan 8.230 nan 0.000 0.488 636 V N 1.771 121.648 119.914 -0.061 0.000 2.277 636 V HA -0.355 3.765 4.120 -0.000 0.000 0.255 636 V C 2.641 178.691 176.094 -0.073 0.000 1.074 636 V CA 2.524 64.797 62.300 -0.045 0.000 1.058 636 V CB -1.394 30.410 31.823 -0.033 0.000 0.656 636 V HN 0.649 nan 8.190 nan 0.000 0.449 637 A N -0.032 122.731 122.820 -0.095 0.000 1.842 637 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 637 A C 2.125 179.585 177.584 -0.205 0.000 1.206 637 A CA 2.408 54.372 52.037 -0.121 0.000 0.630 637 A CB -0.730 18.201 19.000 -0.115 0.000 0.839 637 A HN 0.498 nan 8.150 nan 0.000 0.447 638 I N -0.186 120.219 120.570 -0.276 0.000 2.185 638 I HA -0.265 3.905 4.170 -0.000 0.000 0.246 638 I C 2.399 178.082 176.117 -0.723 0.000 1.088 638 I CA 1.388 62.382 61.300 -0.511 0.000 1.347 638 I CB -0.662 37.048 38.000 -0.483 0.000 1.041 638 I HN 0.447 nan 8.210 nan 0.000 0.415 639 G N 1.111 109.685 108.800 -0.377 0.000 2.956 639 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.207 639 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.207 639 G C 1.441 176.364 174.900 0.038 0.000 1.162 639 G CA 0.151 45.152 45.100 -0.165 0.000 0.796 639 G HN 0.535 nan 8.290 nan 0.000 0.527 640 K N 0.128 120.509 120.400 -0.032 0.000 2.308 640 K HA 0.212 4.532 4.320 -0.000 0.000 0.197 640 K C 0.496 177.119 176.600 0.037 0.000 1.049 640 K CA -0.205 56.153 56.287 0.117 0.000 0.991 640 K CB 0.249 32.803 32.500 0.090 0.000 0.836 640 K HN 0.256 nan 8.250 nan 0.000 0.500 641 E N 2.184 122.390 120.200 0.009 0.000 2.458 641 E HA -0.038 4.312 4.350 -0.000 0.000 0.264 641 E C -0.344 176.324 176.600 0.113 0.000 1.097 641 E CA 0.085 56.558 56.400 0.121 0.000 0.973 641 E CB 0.431 30.248 29.700 0.194 0.000 0.963 641 E HN 0.129 nan 8.360 nan 0.000 0.451 642 E N 0.588 120.830 120.200 0.069 0.000 2.376 642 E HA 0.270 4.620 4.350 -0.000 0.000 0.266 642 E C 0.117 176.652 176.600 -0.108 0.000 1.009 642 E CA 0.439 56.811 56.400 -0.045 0.000 0.902 642 E CB 1.089 30.806 29.700 0.028 0.000 0.972 642 E HN 0.658 nan 8.360 nan 0.000 0.439 643 G N 2.680 111.275 108.800 -0.341 0.000 2.347 643 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.321 643 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.321 643 G C -1.008 173.412 174.900 -0.801 0.000 1.412 643 G CA -1.024 43.660 45.100 -0.694 0.000 0.990 643 G HN 0.405 nan 8.290 nan 0.000 0.637 644 N N 0.295 118.559 118.700 -0.727 0.000 2.602 644 N HA 0.405 5.145 4.740 -0.000 0.000 0.238 644 N C -0.779 174.591 175.510 -0.233 0.000 1.084 644 N CA -0.395 52.449 53.050 -0.343 0.000 0.952 644 N CB -0.031 38.281 38.487 -0.292 0.000 1.244 644 N HN 0.440 nan 8.380 nan 0.000 0.512 645 W N 4.205 125.637 121.300 0.221 0.000 2.331 645 W HA 0.258 4.918 4.660 -0.000 0.000 0.306 645 W C 1.640 178.105 176.519 -0.090 0.000 1.162 645 W CA -1.009 56.382 57.345 0.076 0.000 1.232 645 W CB 0.978 30.430 29.460 -0.013 0.000 1.235 645 W HN 0.387 nan 8.180 nan 0.000 0.479 646 L N 4.892 125.993 121.223 -0.204 0.000 2.633 646 L HA -0.067 4.273 4.340 -0.000 0.000 0.235 646 L C 1.198 177.821 176.870 -0.410 0.000 1.163 646 L CA 0.906 55.175 54.840 -0.952 0.000 0.859 646 L CB -0.159 41.442 42.059 -0.764 0.000 0.973 646 L HN 0.481 nan 8.230 nan 0.000 0.451 647 V N -3.739 116.110 119.914 -0.109 0.000 3.647 647 V HA 0.149 4.269 4.120 -0.000 0.000 0.279 647 V C 1.749 177.837 176.094 -0.009 0.000 1.314 647 V CA 0.066 62.325 62.300 -0.068 0.000 1.125 647 V CB -0.419 31.373 31.823 -0.053 0.000 0.907 647 V HN 0.326 nan 8.190 nan 0.000 0.434 648 K N 1.041 121.470 120.400 0.050 0.000 2.418 648 K HA 0.172 4.492 4.320 -0.000 0.000 0.195 648 K C -0.763 175.877 176.600 0.065 0.000 1.035 648 K CA 0.299 56.654 56.287 0.114 0.000 1.003 648 K CB -0.987 31.652 32.500 0.232 0.000 0.793 648 K HN 0.481 nan 8.250 nan 0.000 0.494 649 P HA -0.098 nan 4.420 nan 0.000 0.226 649 P C -0.150 177.121 177.300 -0.047 0.000 1.153 649 P CA 0.833 63.921 63.100 -0.019 0.000 0.777 649 P CB 0.054 31.697 31.700 -0.095 0.000 0.794 650 D N -0.776 119.594 120.400 -0.049 0.000 2.358 650 D HA 0.036 4.676 4.640 -0.000 0.000 0.258 650 D C 1.294 177.577 176.300 -0.029 0.000 1.223 650 D CA -0.014 53.953 54.000 -0.054 0.000 0.886 650 D CB 0.485 41.255 40.800 -0.049 0.000 1.120 650 D HN -0.101 nan 8.370 nan 0.000 0.482 651 R N 2.647 123.124 120.500 -0.037 0.000 2.105 651 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 651 R C 1.808 178.099 176.300 -0.016 0.000 1.135 651 R CA 0.747 56.834 56.100 -0.022 0.000 0.967 651 R CB -0.253 30.026 30.300 -0.036 0.000 0.861 651 R HN 0.493 nan 8.270 nan 0.000 0.442 652 L N 0.603 121.812 121.223 -0.024 0.000 2.027 652 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 652 L C 1.962 178.827 176.870 -0.008 0.000 1.074 652 L CA 1.544 56.374 54.840 -0.017 0.000 0.745 652 L CB -0.229 41.818 42.059 -0.021 0.000 0.898 652 L HN -0.013 nan 8.230 nan 0.000 0.433 653 I N -0.951 119.614 120.570 -0.008 0.000 2.252 653 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 653 I C 2.775 178.908 176.117 0.027 0.000 1.102 653 I CA 1.628 62.929 61.300 0.002 0.000 1.385 653 I CB -0.669 37.326 38.000 -0.007 0.000 1.064 653 I HN 0.364 nan 8.210 nan 0.000 0.414 654 S N -0.500 115.220 115.700 0.034 0.000 2.359 654 S HA -0.271 4.199 4.470 -0.000 0.000 0.223 654 S C 2.415 177.039 174.600 0.041 0.000 1.039 654 S CA 2.174 60.410 58.200 0.061 0.000 1.042 654 S CB -0.668 62.564 63.200 0.053 0.000 0.915 654 S HN 0.607 nan 8.310 nan 0.000 0.439 655 S N 1.183 116.893 115.700 0.017 0.000 2.392 655 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 655 S C 1.875 176.477 174.600 0.003 0.000 1.041 655 S CA 1.970 60.172 58.200 0.003 0.000 1.100 655 S CB -0.803 62.395 63.200 -0.004 0.000 1.029 655 S HN 0.666 nan 8.310 nan 0.000 0.424 656 K N 0.364 120.768 120.400 0.007 0.000 2.173 656 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 656 K C 2.411 179.027 176.600 0.028 0.000 1.046 656 K CA 1.870 58.162 56.287 0.008 0.000 0.929 656 K CB -0.528 31.974 32.500 0.002 0.000 0.720 656 K HN 0.838 nan 8.250 nan 0.000 0.453 657 T N -3.510 111.081 114.554 0.061 0.000 3.035 657 T HA 0.124 4.474 4.350 -0.000 0.000 0.259 657 T C 1.287 176.041 174.700 0.090 0.000 1.078 657 T CA 0.427 62.612 62.100 0.141 0.000 1.132 657 T CB 0.241 69.254 68.868 0.242 0.000 0.900 657 T HN 0.288 nan 8.240 nan 0.000 0.480 658 G N 1.969 110.745 108.800 -0.040 0.000 2.256 658 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.272 658 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.272 658 G C -0.332 174.214 174.900 -0.591 0.000 1.076 658 G CA 0.007 44.961 45.100 -0.244 0.000 0.882 658 G HN 0.830 nan 8.290 nan 0.000 0.497 659 H N -1.397 117.711 119.070 0.064 0.000 3.085 659 H HA 0.471 5.027 4.556 -0.000 0.000 0.356 659 H C -0.007 175.370 175.328 0.081 0.000 1.178 659 H CA -0.576 55.519 56.048 0.078 0.000 1.214 659 H CB 1.519 31.363 29.762 0.136 0.000 1.881 659 H HN 0.207 nan 8.280 nan 0.000 0.538 660 L N 1.255 122.580 121.223 0.170 0.000 2.304 660 L HA 0.398 4.738 4.340 -0.000 0.000 0.268 660 L C -0.698 176.275 176.870 0.172 0.000 1.010 660 L CA -1.171 53.749 54.840 0.134 0.000 0.813 660 L CB 1.430 43.529 42.059 0.065 0.000 1.315 660 L HN 0.433 nan 8.230 nan 0.000 0.445 661 Y N 0.772 121.087 120.300 0.024 0.000 2.360 661 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 661 Y C -0.710 175.176 175.900 -0.022 0.000 1.039 661 Y CA -0.768 57.330 58.100 -0.003 0.000 1.109 661 Y CB 1.362 39.822 38.460 0.001 0.000 1.201 661 Y HN 0.278 nan 8.280 nan 0.000 0.458 662 I N 9.177 129.327 120.570 -0.701 0.000 2.371 662 I HA 0.373 4.543 4.170 -0.000 0.000 0.282 662 I C -2.200 173.451 176.117 -0.776 0.000 1.031 662 I CA -2.648 58.342 61.300 -0.517 0.000 1.180 662 I CB 0.898 38.699 38.000 -0.331 0.000 1.336 662 I HN 0.548 nan 8.210 nan 0.000 0.467 663 P HA 0.118 nan 4.420 nan 0.000 0.271 663 P C -0.540 176.645 177.300 -0.191 0.000 1.238 663 P CA 0.136 63.098 63.100 -0.231 0.000 0.794 663 P CB 1.042 32.726 31.700 -0.026 0.000 0.959 664 D N -0.961 119.381 120.400 -0.097 0.000 3.808 664 D HA 0.187 4.827 4.640 -0.000 0.000 0.179 664 D C 0.559 176.823 176.300 -0.060 0.000 1.365 664 D CA -0.163 53.792 54.000 -0.075 0.000 1.305 664 D CB -0.309 40.460 40.800 -0.051 0.000 1.303 664 D HN 0.098 nan 8.370 nan 0.000 0.438 665 K N 0.670 121.059 120.400 -0.019 0.000 3.040 665 K HA 0.437 4.757 4.320 -0.000 0.000 0.353 665 K C 0.477 176.986 176.600 -0.152 0.000 1.045 665 K CA 0.498 56.788 56.287 0.005 0.000 1.127 665 K CB -0.545 32.036 32.500 0.135 0.000 1.003 665 K HN 0.647 nan 8.250 nan 0.000 0.438 666 G N -0.165 108.567 108.800 -0.114 0.000 3.373 666 G HA2 0.065 4.024 3.960 -0.000 0.000 0.685 666 G HA3 0.065 4.024 3.960 -0.000 0.000 0.685 666 G C -1.253 173.322 174.900 -0.542 0.000 1.166 666 G CA -0.992 43.982 45.100 -0.210 0.000 1.063 666 G HN 0.194 nan 8.290 nan 0.000 0.481 667 F N 1.464 121.439 119.950 0.041 0.000 2.671 667 F HA 0.471 4.998 4.527 -0.000 0.000 0.332 667 F C 0.852 176.673 175.800 0.035 0.000 1.189 667 F CA -0.736 57.284 58.000 0.034 0.000 0.988 667 F CB 2.157 41.168 39.000 0.018 0.000 1.258 667 F HN 0.378 nan 8.300 nan 0.000 0.471 668 T N 4.808 119.486 114.554 0.206 0.000 2.940 668 T HA 0.527 4.877 4.350 -0.000 0.000 0.309 668 T C 0.184 174.945 174.700 0.101 0.000 1.056 668 T CA 0.089 62.325 62.100 0.226 0.000 1.137 668 T CB 0.476 69.470 68.868 0.210 0.000 0.976 668 T HN 0.369 nan 8.240 nan 0.000 0.547 669 L N 1.231 122.437 121.223 -0.029 0.000 2.223 669 L HA 0.548 4.888 4.340 -0.000 0.000 0.243 669 L C -0.085 176.817 176.870 0.052 0.000 1.105 669 L CA -1.360 53.369 54.840 -0.186 0.000 0.943 669 L CB 1.532 43.112 42.059 -0.799 0.000 1.542 669 L HN 0.492 nan 8.230 nan 0.000 0.437 670 Q N -1.250 118.591 119.800 0.069 0.000 2.378 670 Q HA 0.606 4.946 4.340 -0.000 0.000 0.276 670 Q C -0.018 176.130 176.000 0.247 0.000 1.083 670 Q CA -0.194 55.720 55.803 0.185 0.000 0.856 670 Q CB 2.508 31.304 28.738 0.096 0.000 1.383 670 Q HN 0.826 nan 8.270 nan 0.000 0.458 671 G N 0.537 109.421 108.800 0.140 0.000 2.625 671 G HA2 0.012 3.972 3.960 -0.000 0.000 0.215 671 G HA3 0.012 3.972 3.960 -0.000 0.000 0.215 671 G C 0.089 175.002 174.900 0.022 0.000 1.465 671 G CA -0.003 45.187 45.100 0.150 0.000 0.567 671 G HN 0.499 nan 8.290 nan 0.000 1.088 672 K N 0.490 120.875 120.400 -0.025 0.000 3.147 672 K HA 0.283 4.603 4.320 -0.000 0.000 0.190 672 K C -0.460 176.036 176.600 -0.174 0.000 1.094 672 K CA -0.494 55.736 56.287 -0.094 0.000 1.024 672 K CB -0.881 31.661 32.500 0.070 0.000 0.700 672 K HN 0.550 nan 8.250 nan 0.000 0.424 673 H N -0.980 117.928 119.070 -0.271 0.000 2.502 673 H HA 0.469 5.025 4.556 -0.000 0.000 0.327 673 H C -1.007 174.097 175.328 -0.374 0.000 1.099 673 H CA -0.547 55.331 56.048 -0.283 0.000 1.323 673 H CB 0.420 29.957 29.762 -0.374 0.000 1.450 673 H HN 0.086 nan 8.280 nan 0.000 0.502 674 Y N 0.000 120.360 120.300 0.101 0.000 2.660 674 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 674 Y CA 0.000 58.130 58.100 0.050 0.000 1.940 674 Y CB 0.000 38.465 38.460 0.008 0.000 1.050 674 Y HN 0.000 nan 8.280 nan 0.000 0.758