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 2vzt_1_B DATA FIRST_RESID 49 DATA SEQUENCE GNATPIPGYV IQSSAQVSDD SAVSKPGFPT SGWYPVSSRS TVYAGLLQNG DATA SEQUENCE KYADPFYSTN MQNVPAAQFS VPWWYRTDLN VDDTSSRTYL DFSGVLSKAD DATA SEQUENCE VWVNGTKVAT KDQVNGAYTR HDLDITAQVH TGVNSVAFKV YPNDPNRDLS DATA SEQUENCE MGWIDWAQTP PDQNMGIVRD VLVRRSGAVA LRSAHVIQKL NSALDHADLT DATA SEQUENCE VKADVRNDSA NAVQTTVAGT VAGKPISQTV SLAAKERKTV TFPLVGLDRP DATA SEQUENCE NVWWPAGMGG QHRYDLDLTA SVGGTPSDAA KSKFGVRDVK ATLNSSGGRQ DATA SEQUENCE YSVNGKPLLI RGGGYTPDLF LRWNETAAAD KLKYVLNLGL NTVRLEGHIE DATA SEQUENCE PDEFFDIADD LGVLTMPGWE CCDKWEGQVN GEEKGEPWVE SDYPIAKASM DATA SEQUENCE FSEAERLRDH PSVISFHIGS DFAPDRRIEQ GYLDAMKAAD FLLPVIPAAS DATA SEQUENCE ARPSPITGAS GMKMNGPYDY VPPVYWYDKS QKDRGGAWSF NSATSAGVDI DATA SEQUENCE PTMDTLKRMM SASELDTMWK NPSAKQYHRS SSDTFGNLKL FGDALTKRYG DATA SEQUENCE ASANLNDFVR KAQLSQYENV RAEFESHSRN YTDSTNPSTG LIYWMLNSPW DATA SEQUENCE TSLHWQLFDA YMDQNGAYYG AKKANEPLHI QYSHDNRSVV VINQTSNAVS DATA SEQUENCE GLTATTKLYN LDGTEKYSNT KTGLSVGALG AKATAVTVPA VSGLSTTYLA DATA SEQUENCE KNVLTDSSGK EVSRNVYWLS TKADTLNWGG SDWYYTPQSA FADLSGLNNL DATA SEQUENCE GQSAVGATAN SVAGADGTTT TTVTLKNTSG GRLPAFYVDS KVVDSAGKPV DATA SEQUENCE LPVEWNDNAV SLWPGETTTL TAKYRTADLK GSKPSVRISG WNTGTQTVPA DATA SEQUENCE D 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 49 G HA2 0.000 nan 3.960 nan 0.000 0.244 49 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 49 G C 0.000 174.932 174.900 0.053 0.000 0.946 49 G CA 0.000 45.130 45.100 0.049 0.000 0.502 50 N N 0.067 118.806 118.700 0.064 0.000 2.443 50 N HA 0.780 5.519 4.740 -0.000 0.000 0.293 50 N C -0.529 175.027 175.510 0.077 0.000 1.159 50 N CA -0.542 52.548 53.050 0.067 0.000 0.904 50 N CB 2.372 40.901 38.487 0.070 0.000 1.214 50 N HN 0.475 nan 8.380 nan 0.000 0.513 51 A N 0.924 123.791 122.820 0.078 0.000 2.497 51 A HA 0.442 4.762 4.320 -0.000 0.000 0.280 51 A C -1.077 176.561 177.584 0.090 0.000 1.065 51 A CA -0.569 51.523 52.037 0.091 0.000 0.781 51 A CB 0.888 19.939 19.000 0.085 0.000 1.289 51 A HN 0.457 nan 8.150 nan 0.000 0.415 52 T N 5.213 119.825 114.554 0.098 0.000 2.809 52 T HA 0.660 5.010 4.350 -0.000 0.000 0.284 52 T C -2.852 171.908 174.700 0.100 0.000 0.992 52 T CA -1.187 60.966 62.100 0.089 0.000 0.957 52 T CB 1.670 70.584 68.868 0.077 0.000 0.942 52 T HN 0.506 nan 8.240 nan 0.000 0.439 53 P HA 0.306 nan 4.420 nan 0.000 0.275 53 P C -0.311 177.036 177.300 0.078 0.000 1.228 53 P CA -0.543 62.620 63.100 0.105 0.000 0.786 53 P CB 0.686 32.447 31.700 0.103 0.000 0.927 54 I N 5.288 125.903 120.570 0.076 0.000 2.581 54 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 54 I C -0.817 175.253 176.117 -0.078 0.000 1.129 54 I CA -1.275 60.013 61.300 -0.020 0.000 1.397 54 I CB 0.585 38.564 38.000 -0.034 0.000 1.399 54 I HN 0.309 nan 8.210 nan 0.000 0.537 55 P HA 0.116 nan 4.420 nan 0.000 0.241 55 P C 0.377 177.642 177.300 -0.059 0.000 1.191 55 P CA 0.488 63.574 63.100 -0.023 0.000 0.771 55 P CB 0.564 32.268 31.700 0.007 0.000 0.929 56 G N -1.390 107.262 108.800 -0.247 0.000 2.489 56 G HA2 0.490 4.450 3.960 -0.000 0.000 0.291 56 G HA3 0.490 4.450 3.960 -0.000 0.000 0.291 56 G C -2.279 172.318 174.900 -0.506 0.000 1.487 56 G CA -0.599 44.373 45.100 -0.213 0.000 0.795 56 G HN -0.105 nan 8.290 nan 0.000 0.513 57 Y N -1.176 119.241 120.300 0.194 0.000 2.581 57 Y HA 0.664 5.214 4.550 -0.000 0.000 0.345 57 Y C 0.399 176.420 175.900 0.201 0.000 1.036 57 Y CA -1.099 57.136 58.100 0.224 0.000 1.042 57 Y CB 2.449 41.086 38.460 0.294 0.000 1.289 57 Y HN 0.620 nan 8.280 nan 0.000 0.471 58 V N 1.645 121.802 119.914 0.404 0.000 2.472 58 V HA 0.781 4.901 4.120 -0.000 0.000 0.290 58 V C -0.349 176.081 176.094 0.559 0.000 1.037 58 V CA -0.825 61.727 62.300 0.420 0.000 0.908 58 V CB 1.158 33.201 31.823 0.366 0.000 0.985 58 V HN 0.739 nan 8.190 nan 0.000 0.454 59 I N 1.308 122.145 120.570 0.446 0.000 2.892 59 I HA 0.999 5.169 4.170 -0.000 0.000 0.306 59 I C -0.780 175.374 176.117 0.061 0.000 1.078 59 I CA -0.819 60.634 61.300 0.255 0.000 1.032 59 I CB 2.351 40.316 38.000 -0.059 0.000 1.229 59 I HN 0.757 nan 8.210 nan 0.000 0.435 60 Q N 2.444 122.040 119.800 -0.341 0.000 2.594 60 Q HA 0.330 4.670 4.340 -0.000 0.000 0.278 60 Q C -1.212 174.165 176.000 -1.038 0.000 0.961 60 Q CA -0.402 54.881 55.803 -0.867 0.000 0.844 60 Q CB 2.201 29.761 28.738 -1.964 0.000 1.475 60 Q HN 0.923 nan 8.270 nan 0.000 0.389 61 S N 0.361 114.974 115.700 -1.811 0.000 2.558 61 S HA 0.112 4.582 4.470 -0.000 0.000 0.288 61 S C 0.845 175.055 174.600 -0.651 0.000 1.318 61 S CA 0.663 57.872 58.200 -1.652 0.000 1.056 61 S CB 0.194 62.609 63.200 -1.308 0.000 0.853 61 S HN 0.777 nan 8.310 nan 0.000 0.505 62 S N 3.922 119.410 115.700 -0.353 0.000 2.603 62 S HA 0.035 4.504 4.470 -0.000 0.000 0.229 62 S C 1.850 176.414 174.600 -0.060 0.000 0.972 62 S CA 0.459 58.666 58.200 0.011 0.000 0.935 62 S CB -0.569 62.621 63.200 -0.015 0.000 0.769 62 S HN 0.920 nan 8.310 nan 0.000 0.536 63 A N 1.661 124.369 122.820 -0.186 0.000 1.978 63 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 63 A C 2.159 179.680 177.584 -0.104 0.000 1.170 63 A CA 1.240 53.194 52.037 -0.139 0.000 0.636 63 A CB -0.419 18.474 19.000 -0.178 0.000 0.810 63 A HN 0.527 nan 8.150 nan 0.000 0.448 64 Q N -0.595 119.120 119.800 -0.142 0.000 2.280 64 Q HA 0.222 4.562 4.340 -0.000 0.000 0.202 64 Q C -0.729 175.298 176.000 0.045 0.000 0.903 64 Q CA 0.250 56.013 55.803 -0.067 0.000 0.948 64 Q CB 0.392 29.055 28.738 -0.126 0.000 1.058 64 Q HN 0.350 nan 8.270 nan 0.000 0.493 65 V N 1.620 121.559 119.914 0.043 0.000 2.409 65 V HA 0.123 4.243 4.120 -0.000 0.000 0.290 65 V C 0.903 177.023 176.094 0.042 0.000 1.017 65 V CA -0.127 62.209 62.300 0.060 0.000 0.841 65 V CB 1.671 33.470 31.823 -0.040 0.000 1.003 65 V HN 0.200 nan 8.190 nan 0.000 0.426 66 S N 1.495 117.211 115.700 0.026 0.000 2.528 66 S HA 0.095 4.565 4.470 -0.000 0.000 0.219 66 S C 0.400 175.000 174.600 -0.000 0.000 0.985 66 S CA 0.389 58.600 58.200 0.017 0.000 0.914 66 S CB 0.107 63.315 63.200 0.014 0.000 0.776 66 S HN 0.723 nan 8.310 nan 0.000 0.526 67 D N 0.456 120.827 120.400 -0.048 0.000 2.386 67 D HA 0.336 4.976 4.640 -0.000 0.000 0.247 67 D C -0.361 175.788 176.300 -0.252 0.000 1.336 67 D CA -0.430 53.511 54.000 -0.099 0.000 0.976 67 D CB 1.402 42.151 40.800 -0.086 0.000 1.257 67 D HN -0.225 nan 8.370 nan 0.000 0.570 68 D N 0.898 121.182 120.400 -0.193 0.000 2.133 68 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 68 D C 1.975 177.607 176.300 -1.114 0.000 0.997 68 D CA 1.738 55.505 54.000 -0.388 0.000 0.840 68 D CB -0.028 40.778 40.800 0.010 0.000 0.947 68 D HN 0.502 nan 8.370 nan 0.000 0.452 69 S N 0.105 115.251 115.700 -0.923 0.000 2.442 69 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 69 S C 2.019 176.251 174.600 -0.614 0.000 1.007 69 S CA 1.114 58.771 58.200 -0.905 0.000 0.965 69 S CB -0.225 62.872 63.200 -0.171 0.000 0.773 69 S HN 0.246 nan 8.310 nan 0.000 0.504 70 A N 1.132 123.603 122.820 -0.583 0.000 2.066 70 A HA 0.227 4.547 4.320 -0.000 0.000 0.218 70 A C 2.264 179.306 177.584 -0.902 0.000 1.157 70 A CA 1.054 52.797 52.037 -0.489 0.000 0.670 70 A CB -0.752 18.101 19.000 -0.246 0.000 0.804 70 A HN 0.469 nan 8.150 nan 0.000 0.453 71 V N 0.918 120.029 119.914 -1.338 0.000 2.343 71 V HA -0.203 3.916 4.120 -0.000 0.000 0.247 71 V C 2.619 178.189 176.094 -0.873 0.000 1.051 71 V CA 2.245 63.500 62.300 -1.741 0.000 1.036 71 V CB -0.848 29.871 31.823 -1.840 0.000 0.654 71 V HN 0.750 nan 8.190 nan 0.000 0.451 72 S N -1.378 114.020 115.700 -0.503 0.000 2.575 72 S HA 0.142 4.611 4.470 -0.000 0.000 0.215 72 S C 0.607 175.164 174.600 -0.072 0.000 0.966 72 S CA -0.265 57.844 58.200 -0.153 0.000 0.911 72 S CB -0.369 62.860 63.200 0.048 0.000 0.780 72 S HN 0.578 nan 8.310 nan 0.000 0.514 73 K N 2.980 123.307 120.400 -0.121 0.000 2.349 73 K HA 0.289 4.609 4.320 -0.000 0.000 0.288 73 K C -2.842 173.771 176.600 0.021 0.000 1.058 73 K CA -1.986 54.290 56.287 -0.019 0.000 0.953 73 K CB 0.188 32.672 32.500 -0.027 0.000 0.997 73 K HN 0.110 nan 8.250 nan 0.000 0.477 74 P HA -0.105 nan 4.420 nan 0.000 0.261 74 P C 0.673 177.993 177.300 0.033 0.000 1.183 74 P CA 0.941 64.076 63.100 0.058 0.000 0.761 74 P CB 0.547 32.310 31.700 0.105 0.000 0.785 75 G N 2.677 111.485 108.800 0.013 0.000 2.194 75 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 75 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 75 G C 0.069 174.943 174.900 -0.044 0.000 0.987 75 G CA -0.494 44.593 45.100 -0.022 0.000 0.635 75 G HN 0.552 nan 8.290 nan 0.000 0.520 76 F N 4.878 124.726 119.950 -0.169 0.000 2.602 76 F HA 0.472 4.999 4.527 -0.000 0.000 0.385 76 F C -0.920 174.704 175.800 -0.293 0.000 1.063 76 F CA -1.413 56.446 58.000 -0.236 0.000 1.233 76 F CB 0.484 39.307 39.000 -0.294 0.000 1.067 76 F HN 0.094 nan 8.300 nan 0.000 0.564 77 P HA 0.183 nan 4.420 nan 0.000 0.278 77 P C -0.505 176.157 177.300 -1.064 0.000 1.238 77 P CA -0.303 62.339 63.100 -0.763 0.000 0.794 77 P CB 1.211 32.578 31.700 -0.555 0.000 0.955 78 T N -3.203 110.896 114.554 -0.758 0.000 3.460 78 T HA 0.130 4.480 4.350 -0.000 0.000 0.304 78 T C 0.378 174.837 174.700 -0.402 0.000 0.991 78 T CA -0.418 61.069 62.100 -1.022 0.000 0.975 78 T CB -0.770 67.523 68.868 -0.958 0.000 1.196 78 T HN 0.354 nan 8.240 nan 0.000 0.490 79 S N 1.034 116.586 115.700 -0.247 0.000 2.546 79 S HA 0.423 4.892 4.470 -0.000 0.000 0.290 79 S C 1.788 176.412 174.600 0.040 0.000 1.262 79 S CA 1.319 59.464 58.200 -0.092 0.000 1.083 79 S CB -0.643 62.492 63.200 -0.110 0.000 0.859 79 S HN 1.600 nan 8.310 nan 0.000 0.495 80 G N 4.295 113.100 108.800 0.009 0.000 2.217 80 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 80 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 80 G C -0.062 174.728 174.900 -0.184 0.000 0.990 80 G CA 0.025 45.087 45.100 -0.063 0.000 0.627 80 G HN 0.643 nan 8.290 nan 0.000 0.522 81 W N 0.707 121.821 121.300 -0.311 0.000 2.150 81 W HA 0.649 5.309 4.660 -0.000 0.000 0.341 81 W C 0.394 176.714 176.519 -0.331 0.000 1.276 81 W CA -0.540 56.630 57.345 -0.291 0.000 1.238 81 W CB -0.016 29.401 29.460 -0.070 0.000 1.128 81 W HN 0.133 nan 8.180 nan 0.000 0.581 82 Y N 3.357 123.818 120.300 0.269 0.000 2.383 82 Y HA 0.256 4.806 4.550 -0.000 0.000 0.344 82 Y C -1.627 174.389 175.900 0.193 0.000 0.986 82 Y CA -2.975 55.240 58.100 0.192 0.000 1.175 82 Y CB -0.079 38.482 38.460 0.168 0.000 1.152 82 Y HN -0.004 nan 8.280 nan 0.000 0.511 83 P HA 0.112 nan 4.420 nan 0.000 0.276 83 P C -0.691 176.736 177.300 0.211 0.000 1.243 83 P CA 0.006 63.236 63.100 0.217 0.000 0.768 83 P CB 1.250 33.040 31.700 0.151 0.000 0.856 84 V N 0.598 120.644 119.914 0.220 0.000 3.040 84 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 84 V C 0.011 176.239 176.094 0.224 0.000 1.115 84 V CA -0.871 61.554 62.300 0.209 0.000 0.998 84 V CB 1.778 33.727 31.823 0.210 0.000 1.042 84 V HN 0.442 nan 8.190 nan 0.000 0.433 85 S N 1.536 117.356 115.700 0.201 0.000 2.634 85 S HA 0.378 4.847 4.470 -0.000 0.000 0.261 85 S C 0.474 175.250 174.600 0.294 0.000 1.271 85 S CA -0.076 58.245 58.200 0.202 0.000 0.985 85 S CB 1.014 64.320 63.200 0.176 0.000 0.968 85 S HN 1.164 nan 8.310 nan 0.000 0.568 86 S N 0.157 116.013 115.700 0.260 0.000 2.566 86 S HA 0.142 4.612 4.470 -0.000 0.000 0.280 86 S C 0.574 175.348 174.600 0.290 0.000 1.343 86 S CA -0.063 58.332 58.200 0.325 0.000 1.036 86 S CB -0.335 63.001 63.200 0.227 0.000 0.866 86 S HN 0.678 nan 8.310 nan 0.000 0.526 87 R N 0.425 121.079 120.500 0.257 0.000 3.774 87 R HA -0.112 4.227 4.340 -0.000 0.000 0.320 87 R C -0.734 175.692 176.300 0.210 0.000 1.175 87 R CA 0.679 56.893 56.100 0.190 0.000 0.849 87 R CB -2.673 27.745 30.300 0.196 0.000 1.365 87 R HN 0.469 nan 8.270 nan 0.000 0.502 88 S N 1.090 116.933 115.700 0.237 0.000 2.457 88 S HA 0.290 4.760 4.470 -0.000 0.000 0.289 88 S C 0.820 175.548 174.600 0.213 0.000 1.163 88 S CA -0.400 57.938 58.200 0.230 0.000 1.078 88 S CB 1.744 65.100 63.200 0.260 0.000 0.987 88 S HN 0.301 nan 8.310 nan 0.000 0.482 89 T N 0.012 114.658 114.554 0.152 0.000 2.766 89 T HA 0.229 4.579 4.350 -0.000 0.000 0.295 89 T C 1.503 176.251 174.700 0.081 0.000 1.024 89 T CA -0.766 61.397 62.100 0.105 0.000 1.018 89 T CB 0.316 69.240 68.868 0.094 0.000 1.002 89 T HN 0.192 nan 8.240 nan 0.000 0.532 90 V N 0.858 120.755 119.914 -0.029 0.000 2.295 90 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 90 V C 2.146 178.088 176.094 -0.253 0.000 1.049 90 V CA 1.937 64.104 62.300 -0.222 0.000 1.024 90 V CB -1.246 30.200 31.823 -0.627 0.000 0.648 90 V HN 0.923 nan 8.190 nan 0.000 0.447 91 Y N 1.336 121.368 120.300 -0.447 0.000 2.242 91 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 91 Y C 2.325 178.070 175.900 -0.258 0.000 1.137 91 Y CA 1.002 58.850 58.100 -0.420 0.000 1.181 91 Y CB -0.639 37.450 38.460 -0.617 0.000 0.989 91 Y HN 0.140 nan 8.280 nan 0.000 0.527 92 A N 0.343 122.998 122.820 -0.274 0.000 1.908 92 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 92 A C 2.536 180.022 177.584 -0.163 0.000 1.181 92 A CA 1.873 53.769 52.037 -0.235 0.000 0.627 92 A CB -1.723 17.285 19.000 0.012 0.000 0.818 92 A HN 0.581 nan 8.150 nan 0.000 0.445 93 G N -0.214 108.541 108.800 -0.076 0.000 2.440 93 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 93 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 93 G C 1.536 176.386 174.900 -0.084 0.000 1.154 93 G CA 1.103 46.187 45.100 -0.025 0.000 0.767 93 G HN 0.456 nan 8.290 nan 0.000 0.552 94 L N -0.207 120.916 121.223 -0.167 0.000 2.093 94 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 94 L C 2.870 179.646 176.870 -0.156 0.000 1.085 94 L CA 0.396 55.121 54.840 -0.191 0.000 0.755 94 L CB -0.350 41.708 42.059 -0.003 0.000 0.904 94 L HN 0.190 nan 8.230 nan 0.000 0.435 95 L N -0.868 120.206 121.223 -0.249 0.000 2.056 95 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 95 L C 2.663 179.453 176.870 -0.132 0.000 1.078 95 L CA 1.138 55.831 54.840 -0.245 0.000 0.749 95 L CB -0.517 41.281 42.059 -0.435 0.000 0.901 95 L HN 0.321 nan 8.230 nan 0.000 0.433 96 Q N -0.037 119.707 119.800 -0.094 0.000 2.248 96 Q HA -0.185 4.155 4.340 -0.000 0.000 0.208 96 Q C 1.292 177.295 176.000 0.005 0.000 0.984 96 Q CA 1.123 56.912 55.803 -0.023 0.000 0.875 96 Q CB -0.018 28.732 28.738 0.020 0.000 0.910 96 Q HN 0.554 nan 8.270 nan 0.000 0.433 97 N N -1.740 116.961 118.700 0.001 0.000 2.230 97 N HA 0.059 4.799 4.740 -0.000 0.000 0.202 97 N C 0.573 176.091 175.510 0.013 0.000 1.119 97 N CA 0.791 53.872 53.050 0.052 0.000 0.851 97 N CB 1.604 40.183 38.487 0.154 0.000 0.990 97 N HN 0.337 nan 8.380 nan 0.000 0.497 98 G N 0.805 109.584 108.800 -0.035 0.000 2.211 98 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.201 98 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.201 98 G C 1.034 175.880 174.900 -0.090 0.000 0.997 98 G CA -0.187 44.888 45.100 -0.042 0.000 0.652 98 G HN 0.149 nan 8.290 nan 0.000 0.500 99 K N -0.958 119.341 120.400 -0.168 0.000 2.424 99 K HA 0.363 4.683 4.320 -0.000 0.000 0.198 99 K C -0.074 176.117 176.600 -0.681 0.000 1.190 99 K CA 0.529 56.592 56.287 -0.373 0.000 0.935 99 K CB 0.603 32.859 32.500 -0.407 0.000 1.087 99 K HN 0.398 nan 8.250 nan 0.000 0.524 100 Y N -0.237 120.067 120.300 0.007 0.000 2.602 100 Y HA 0.523 5.073 4.550 -0.000 0.000 0.342 100 Y C 0.168 176.091 175.900 0.038 0.000 1.029 100 Y CA -1.393 56.740 58.100 0.055 0.000 1.080 100 Y CB 1.183 39.732 38.460 0.149 0.000 1.284 100 Y HN -0.110 nan 8.280 nan 0.000 0.485 101 A N 0.379 123.348 122.820 0.248 0.000 2.366 101 A HA 0.177 4.497 4.320 -0.000 0.000 0.250 101 A C -0.314 177.383 177.584 0.187 0.000 1.099 101 A CA -0.268 51.876 52.037 0.177 0.000 0.794 101 A CB -0.083 19.031 19.000 0.190 0.000 1.056 101 A HN 0.724 nan 8.150 nan 0.000 0.499 102 D N 0.644 121.145 120.400 0.168 0.000 2.412 102 D HA 0.133 4.772 4.640 -0.000 0.000 0.257 102 D C -1.325 175.167 176.300 0.319 0.000 1.217 102 D CA -1.526 52.580 54.000 0.177 0.000 0.897 102 D CB 0.809 41.712 40.800 0.171 0.000 1.132 102 D HN 0.163 nan 8.370 nan 0.000 0.493 103 P HA -0.098 nan 4.420 nan 0.000 0.226 103 P C 1.133 178.946 177.300 0.855 0.000 1.153 103 P CA 0.398 63.843 63.100 0.575 0.000 0.777 103 P CB 0.049 32.101 31.700 0.586 0.000 0.794 104 F N -1.446 118.780 119.950 0.460 0.000 2.604 104 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 104 F C 1.138 177.102 175.800 0.274 0.000 1.131 104 F CA -0.392 57.820 58.000 0.353 0.000 1.457 104 F CB -1.227 37.923 39.000 0.251 0.000 1.095 104 F HN -0.076 nan 8.300 nan 0.000 0.574 105 Y N 0.030 120.556 120.300 0.377 0.000 2.331 105 Y HA 0.444 4.994 4.550 -0.000 0.000 0.338 105 Y C 0.936 176.997 175.900 0.268 0.000 0.976 105 Y CA -0.385 57.841 58.100 0.210 0.000 1.137 105 Y CB 0.831 39.390 38.460 0.165 0.000 1.172 105 Y HN 0.044 nan 8.280 nan 0.000 0.478 106 S N 2.766 118.171 115.700 -0.492 0.000 3.711 106 S HA -0.333 4.137 4.470 -0.000 0.000 0.625 106 S C 1.001 175.694 174.600 0.154 0.000 2.458 106 S CA 2.297 60.291 58.200 -0.343 0.000 4.059 106 S CB -1.647 61.102 63.200 -0.751 0.000 0.257 106 S HN 1.305 nan 8.310 nan 0.000 0.974 107 T N -0.292 114.258 114.554 -0.007 0.000 3.186 107 T HA 0.356 4.706 4.350 -0.000 0.000 0.257 107 T C 1.087 175.792 174.700 0.009 0.000 1.029 107 T CA 0.547 62.572 62.100 -0.125 0.000 0.916 107 T CB -0.358 68.323 68.868 -0.313 0.000 1.041 107 T HN 0.465 nan 8.240 nan 0.000 0.562 108 N N 1.892 120.692 118.700 0.166 0.000 2.133 108 N HA -0.135 4.605 4.740 -0.000 0.000 0.193 108 N C 1.527 177.156 175.510 0.199 0.000 1.012 108 N CA 1.447 54.625 53.050 0.213 0.000 0.871 108 N CB -0.380 38.293 38.487 0.310 0.000 1.011 108 N HN 0.483 nan 8.380 nan 0.000 0.435 109 M N 0.631 120.405 119.600 0.290 0.000 2.159 109 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 109 M C 1.720 178.064 176.300 0.073 0.000 1.063 109 M CA 1.382 56.823 55.300 0.236 0.000 1.110 109 M CB 0.007 32.858 32.600 0.419 0.000 1.374 109 M HN 0.155 nan 8.290 nan 0.000 0.411 110 Q N -0.117 119.694 119.800 0.019 0.000 2.291 110 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 110 Q C 0.907 176.873 176.000 -0.057 0.000 0.976 110 Q CA 0.924 56.680 55.803 -0.078 0.000 0.875 110 Q CB -0.114 28.470 28.738 -0.256 0.000 0.927 110 Q HN 0.573 nan 8.270 nan 0.000 0.450 111 N N -0.362 118.323 118.700 -0.024 0.000 2.398 111 N HA 0.014 4.754 4.740 -0.000 0.000 0.188 111 N C -0.312 175.188 175.510 -0.016 0.000 1.122 111 N CA 0.181 53.233 53.050 0.002 0.000 0.866 111 N CB 0.485 39.004 38.487 0.053 0.000 0.970 111 N HN -0.052 nan 8.380 nan 0.000 0.462 112 V N 3.305 123.147 119.914 -0.120 0.000 2.470 112 V HA 0.143 4.263 4.120 -0.000 0.000 0.276 112 V C -1.947 174.051 176.094 -0.160 0.000 1.040 112 V CA -1.395 60.723 62.300 -0.304 0.000 1.008 112 V CB 0.521 32.007 31.823 -0.562 0.000 0.990 112 V HN 0.001 nan 8.190 nan 0.000 0.477 113 P HA 0.114 nan 4.420 nan 0.000 0.262 113 P C 0.498 177.738 177.300 -0.099 0.000 1.199 113 P CA 0.183 63.242 63.100 -0.068 0.000 0.763 113 P CB 0.880 32.559 31.700 -0.036 0.000 0.790 114 A N 4.530 127.332 122.820 -0.030 0.000 1.935 114 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 114 A C 2.100 179.689 177.584 0.008 0.000 1.178 114 A CA 1.321 53.396 52.037 0.063 0.000 0.640 114 A CB -1.189 17.843 19.000 0.053 0.000 0.825 114 A HN 0.493 nan 8.150 nan 0.000 0.447 115 A N 0.902 123.696 122.820 -0.042 0.000 1.948 115 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 115 A C 2.155 179.697 177.584 -0.069 0.000 1.177 115 A CA 1.916 53.933 52.037 -0.033 0.000 0.636 115 A CB -0.811 18.172 19.000 -0.029 0.000 0.815 115 A HN 0.808 nan 8.150 nan 0.000 0.449 116 Q N -1.815 117.853 119.800 -0.221 0.000 2.291 116 Q HA -0.117 4.223 4.340 -0.000 0.000 0.206 116 Q C 0.704 176.669 176.000 -0.059 0.000 0.976 116 Q CA 1.495 57.157 55.803 -0.236 0.000 0.875 116 Q CB -0.465 28.054 28.738 -0.365 0.000 0.927 116 Q HN 0.612 nan 8.270 nan 0.000 0.450 117 F N 1.158 121.228 119.950 0.200 0.000 2.641 117 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 117 F C 1.471 177.336 175.800 0.109 0.000 1.098 117 F CA -0.073 58.012 58.000 0.143 0.000 1.318 117 F CB 0.438 39.409 39.000 -0.048 0.000 1.035 117 F HN 0.166 nan 8.300 nan 0.000 0.551 118 S N -0.722 115.102 115.700 0.206 0.000 2.556 118 S HA 0.282 4.752 4.470 -0.000 0.000 0.216 118 S C 0.362 175.033 174.600 0.118 0.000 0.970 118 S CA 0.138 58.419 58.200 0.136 0.000 0.912 118 S CB -0.845 62.404 63.200 0.081 0.000 0.790 118 S HN 0.049 nan 8.310 nan 0.000 0.504 119 V N -3.044 116.958 119.914 0.146 0.000 3.001 119 V HA 0.737 4.856 4.120 -0.000 0.000 0.314 119 V C -3.279 172.880 176.094 0.109 0.000 1.099 119 V CA -3.163 59.181 62.300 0.072 0.000 0.989 119 V CB 1.100 32.923 31.823 0.001 0.000 1.040 119 V HN -0.123 nan 8.190 nan 0.000 0.434 120 P HA 0.164 nan 4.420 nan 0.000 0.269 120 P C -1.452 175.858 177.300 0.016 0.000 1.217 120 P CA 0.405 63.401 63.100 -0.173 0.000 0.783 120 P CB 0.233 31.524 31.700 -0.683 0.000 0.898 121 W N 1.050 122.264 121.300 -0.143 0.000 2.736 121 W HA 0.398 5.058 4.660 -0.000 0.000 0.335 121 W C -0.934 175.574 176.519 -0.019 0.000 1.059 121 W CA 0.244 57.576 57.345 -0.022 0.000 1.226 121 W CB 0.788 30.322 29.460 0.123 0.000 1.416 121 W HN 0.387 nan 8.180 nan 0.000 0.505 122 W N 2.700 124.109 121.300 0.181 0.000 2.316 122 W HA 0.360 5.020 4.660 -0.000 0.000 0.311 122 W C -0.691 176.051 176.519 0.373 0.000 1.217 122 W CA -0.438 57.069 57.345 0.271 0.000 1.199 122 W CB 0.422 30.000 29.460 0.196 0.000 1.202 122 W HN 0.141 nan 8.180 nan 0.000 0.528 123 Y N 3.553 124.167 120.300 0.525 0.000 2.356 123 Y HA 0.398 4.948 4.550 -0.000 0.000 0.334 123 Y C 0.432 176.685 175.900 0.588 0.000 0.958 123 Y CA -0.972 57.371 58.100 0.405 0.000 1.196 123 Y CB 0.982 39.412 38.460 -0.050 0.000 1.137 123 Y HN 0.230 nan 8.280 nan 0.000 0.485 124 R N 2.073 123.007 120.500 0.724 0.000 2.670 124 R HA 0.668 5.008 4.340 -0.000 0.000 0.289 124 R C -1.306 175.298 176.300 0.507 0.000 0.965 124 R CA -0.374 56.067 56.100 0.569 0.000 0.899 124 R CB 2.071 32.586 30.300 0.359 0.000 1.173 124 R HN 0.646 nan 8.270 nan 0.000 0.456 125 T N 1.563 116.343 114.554 0.377 0.000 2.923 125 T HA 0.272 4.622 4.350 -0.000 0.000 0.311 125 T C -1.474 173.304 174.700 0.130 0.000 1.183 125 T CA -0.755 61.473 62.100 0.214 0.000 1.020 125 T CB 1.354 70.307 68.868 0.141 0.000 1.165 125 T HN 0.526 nan 8.240 nan 0.000 0.482 126 D N 2.331 122.774 120.400 0.072 0.000 2.313 126 D HA 0.516 5.156 4.640 -0.000 0.000 0.247 126 D C -0.300 176.025 176.300 0.042 0.000 1.094 126 D CA -0.067 53.962 54.000 0.048 0.000 0.925 126 D CB 1.110 41.928 40.800 0.030 0.000 1.188 126 D HN 0.383 nan 8.370 nan 0.000 0.430 127 L N 1.586 122.828 121.223 0.032 0.000 2.410 127 L HA 0.335 4.675 4.340 -0.000 0.000 0.270 127 L C -0.308 176.569 176.870 0.012 0.000 0.983 127 L CA -0.810 54.045 54.840 0.025 0.000 0.822 127 L CB 1.756 43.830 42.059 0.025 0.000 1.285 127 L HN 0.104 nan 8.230 nan 0.000 0.409 128 N N 1.686 120.398 118.700 0.020 0.000 2.444 128 N HA 0.387 5.127 4.740 -0.000 0.000 0.271 128 N C -0.969 174.552 175.510 0.019 0.000 1.069 128 N CA -0.371 52.692 53.050 0.021 0.000 0.965 128 N CB 1.989 40.492 38.487 0.027 0.000 1.092 128 N HN 0.180 nan 8.380 nan 0.000 0.476 129 V N 2.746 122.668 119.914 0.013 0.000 2.326 129 V HA 0.083 4.203 4.120 -0.000 0.000 0.281 129 V C 0.492 176.604 176.094 0.030 0.000 1.015 129 V CA -0.602 61.707 62.300 0.015 0.000 0.823 129 V CB 1.281 33.097 31.823 -0.012 0.000 1.009 129 V HN 0.735 nan 8.190 nan 0.000 0.436 130 D N 3.373 123.792 120.400 0.033 0.000 2.106 130 D HA -0.117 4.522 4.640 -0.000 0.000 0.191 130 D C 0.576 176.898 176.300 0.037 0.000 0.997 130 D CA 2.239 56.260 54.000 0.035 0.000 0.834 130 D CB 0.370 41.190 40.800 0.033 0.000 0.956 130 D HN 0.880 nan 8.370 nan 0.000 0.448 131 D N -3.050 117.372 120.400 0.036 0.000 2.623 131 D HA 0.099 4.739 4.640 -0.000 0.000 0.241 131 D C -0.310 176.010 176.300 0.034 0.000 1.241 131 D CA -0.600 53.422 54.000 0.037 0.000 0.788 131 D CB 1.069 41.890 40.800 0.034 0.000 1.413 131 D HN -0.128 nan 8.370 nan 0.000 0.429 132 T N -1.287 113.288 114.554 0.035 0.000 3.251 132 T HA 0.233 4.583 4.350 -0.000 0.000 0.259 132 T C 0.854 175.572 174.700 0.029 0.000 0.998 132 T CA -0.103 62.014 62.100 0.029 0.000 0.905 132 T CB -0.282 68.606 68.868 0.032 0.000 1.067 132 T HN 0.211 nan 8.240 nan 0.000 0.569 133 S N 1.374 117.094 115.700 0.033 0.000 2.406 133 S HA 0.071 4.541 4.470 -0.000 0.000 0.228 133 S C 1.161 175.786 174.600 0.041 0.000 1.020 133 S CA 0.184 58.404 58.200 0.035 0.000 0.965 133 S CB -0.057 63.163 63.200 0.035 0.000 0.798 133 S HN 0.595 nan 8.310 nan 0.000 0.488 134 S N 1.431 117.159 115.700 0.048 0.000 2.586 134 S HA 0.334 4.804 4.470 -0.000 0.000 0.274 134 S C 0.331 174.967 174.600 0.060 0.000 1.281 134 S CA -0.605 57.635 58.200 0.065 0.000 1.035 134 S CB 0.710 63.956 63.200 0.076 0.000 0.962 134 S HN 0.309 nan 8.310 nan 0.000 0.512 135 R N 1.124 121.676 120.500 0.087 0.000 2.738 135 R HA 0.284 4.624 4.340 -0.000 0.000 0.268 135 R C -0.292 176.029 176.300 0.035 0.000 1.062 135 R CA 0.135 56.257 56.100 0.037 0.000 1.158 135 R CB 0.196 30.557 30.300 0.102 0.000 1.046 135 R HN 0.484 nan 8.270 nan 0.000 0.493 136 T N 1.929 116.386 114.554 -0.161 0.000 2.841 136 T HA 0.462 4.811 4.350 -0.000 0.000 0.283 136 T C -1.135 173.388 174.700 -0.295 0.000 1.000 136 T CA -0.634 61.419 62.100 -0.077 0.000 0.977 136 T CB 0.758 69.606 68.868 -0.034 0.000 0.979 136 T HN 0.351 nan 8.240 nan 0.000 0.446 137 Y N 1.039 121.390 120.300 0.085 0.000 2.477 137 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 137 Y C -0.309 175.684 175.900 0.156 0.000 0.981 137 Y CA -1.333 56.833 58.100 0.109 0.000 1.033 137 Y CB 1.535 40.054 38.460 0.099 0.000 1.245 137 Y HN 0.382 nan 8.280 nan 0.000 0.455 138 L N 3.241 124.671 121.223 0.344 0.000 2.275 138 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 138 L C -0.880 176.288 176.870 0.497 0.000 1.046 138 L CA -0.348 54.749 54.840 0.427 0.000 0.805 138 L CB 1.001 43.339 42.059 0.465 0.000 1.193 138 L HN 0.596 nan 8.230 nan 0.000 0.426 139 D N 4.546 125.221 120.400 0.457 0.000 2.492 139 D HA 0.598 5.238 4.640 -0.000 0.000 0.248 139 D C -1.158 175.383 176.300 0.401 0.000 1.101 139 D CA -0.108 54.076 54.000 0.307 0.000 0.840 139 D CB 1.218 42.132 40.800 0.189 0.000 1.209 139 D HN 0.247 nan 8.370 nan 0.000 0.524 140 F N 0.640 120.699 119.950 0.182 0.000 2.744 140 F HA 0.674 5.201 4.527 -0.000 0.000 0.311 140 F C -1.198 174.698 175.800 0.161 0.000 1.144 140 F CA -0.911 57.184 58.000 0.158 0.000 0.938 140 F CB 0.657 39.759 39.000 0.171 0.000 1.292 140 F HN 0.199 nan 8.300 nan 0.000 0.444 141 S N -0.566 115.278 115.700 0.241 0.000 2.840 141 S HA 0.832 5.302 4.470 -0.000 0.000 0.307 141 S C 0.196 174.902 174.600 0.176 0.000 1.180 141 S CA -0.585 57.717 58.200 0.171 0.000 0.846 141 S CB 0.994 64.239 63.200 0.075 0.000 1.233 141 S HN 2.613 nan 8.310 nan 0.000 0.548 142 G N -0.607 108.234 108.800 0.068 0.000 2.131 142 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.223 142 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.223 142 G C 0.005 174.865 174.900 -0.067 0.000 0.990 142 G CA -0.025 45.058 45.100 -0.029 0.000 0.671 142 G HN 1.903 nan 8.290 nan 0.000 0.521 143 V N 1.397 121.302 119.914 -0.015 0.000 2.406 143 V HA 0.764 4.884 4.120 -0.000 0.000 0.272 143 V C 0.266 176.310 176.094 -0.083 0.000 1.043 143 V CA -0.933 61.321 62.300 -0.078 0.000 0.915 143 V CB 0.971 32.760 31.823 -0.057 0.000 0.988 143 V HN 0.361 nan 8.190 nan 0.000 0.466 144 L N 6.581 127.738 121.223 -0.111 0.000 2.319 144 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 144 L C 1.010 177.852 176.870 -0.047 0.000 1.005 144 L CA -0.274 54.514 54.840 -0.087 0.000 0.828 144 L CB 1.653 43.658 42.059 -0.090 0.000 1.227 144 L HN 0.856 nan 8.230 nan 0.000 0.415 145 S N 1.709 117.402 115.700 -0.012 0.000 2.492 145 S HA 0.133 4.603 4.470 -0.000 0.000 0.218 145 S C 0.343 174.911 174.600 -0.053 0.000 1.016 145 S CA -0.131 58.040 58.200 -0.049 0.000 0.916 145 S CB 0.225 63.393 63.200 -0.054 0.000 0.791 145 S HN 0.786 nan 8.310 nan 0.000 0.513 146 K N -0.614 119.781 120.400 -0.008 0.000 2.685 146 K HA 0.715 5.035 4.320 -0.000 0.000 0.290 146 K C -1.946 174.710 176.600 0.093 0.000 1.018 146 K CA -0.939 55.332 56.287 -0.026 0.000 0.860 146 K CB 0.887 33.296 32.500 -0.153 0.000 1.498 146 K HN 0.226 nan 8.250 nan 0.000 0.390 147 A N 1.184 124.056 122.820 0.087 0.000 2.589 147 A HA 0.502 4.822 4.320 -0.000 0.000 0.296 147 A C -1.812 175.857 177.584 0.142 0.000 1.062 147 A CA -0.889 51.275 52.037 0.210 0.000 0.686 147 A CB 1.379 20.515 19.000 0.225 0.000 1.282 147 A HN 0.680 nan 8.150 nan 0.000 0.404 148 D N 0.895 121.418 120.400 0.206 0.000 2.302 148 D HA 0.454 5.093 4.640 -0.000 0.000 0.248 148 D C -0.458 175.882 176.300 0.066 0.000 1.094 148 D CA 0.219 54.278 54.000 0.098 0.000 0.897 148 D CB 1.787 42.714 40.800 0.211 0.000 1.200 148 D HN 0.196 nan 8.370 nan 0.000 0.429 149 V N 2.302 122.144 119.914 -0.120 0.000 2.444 149 V HA 0.340 4.460 4.120 -0.000 0.000 0.294 149 V C -0.867 175.077 176.094 -0.250 0.000 1.022 149 V CA -0.853 61.302 62.300 -0.241 0.000 0.850 149 V CB 1.278 32.927 31.823 -0.291 0.000 0.992 149 V HN 0.464 nan 8.190 nan 0.000 0.426 150 W N 3.151 124.374 121.300 -0.129 0.000 2.632 150 W HA 0.786 5.445 4.660 -0.000 0.000 0.328 150 W C -0.762 175.709 176.519 -0.081 0.000 1.044 150 W CA -0.728 56.596 57.345 -0.034 0.000 1.225 150 W CB 2.160 31.670 29.460 0.083 0.000 1.396 150 W HN 0.300 nan 8.180 nan 0.000 0.499 151 V N 4.203 124.213 119.914 0.160 0.000 2.524 151 V HA 0.232 4.352 4.120 -0.000 0.000 0.297 151 V C -0.226 175.935 176.094 0.111 0.000 1.035 151 V CA -1.358 60.992 62.300 0.084 0.000 0.867 151 V CB 1.426 33.257 31.823 0.013 0.000 1.004 151 V HN 0.725 nan 8.190 nan 0.000 0.426 152 N N 3.771 122.530 118.700 0.099 0.000 2.721 152 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 152 N C 1.137 176.727 175.510 0.133 0.000 1.072 152 N CA 1.698 54.816 53.050 0.112 0.000 0.710 152 N CB -1.026 37.541 38.487 0.133 0.000 0.993 152 N HN 1.647 nan 8.380 nan 0.000 0.547 153 G N -2.730 106.176 108.800 0.177 0.000 2.175 153 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 153 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 153 G C 0.052 175.193 174.900 0.402 0.000 0.982 153 G CA 0.503 45.735 45.100 0.220 0.000 0.641 153 G HN 0.508 nan 8.290 nan 0.000 0.527 154 T N 0.864 115.615 114.554 0.329 0.000 2.779 154 T HA 0.494 4.844 4.350 -0.000 0.000 0.280 154 T C 0.060 174.680 174.700 -0.132 0.000 0.987 154 T CA -0.491 61.686 62.100 0.129 0.000 0.966 154 T CB 1.938 70.830 68.868 0.039 0.000 0.933 154 T HN 0.305 nan 8.240 nan 0.000 0.442 155 K N 3.501 123.487 120.400 -0.691 0.000 2.278 155 K HA 0.182 4.502 4.320 -0.000 0.000 0.289 155 K C 1.312 177.613 176.600 -0.498 0.000 1.080 155 K CA -0.270 55.344 56.287 -1.120 0.000 0.934 155 K CB 0.153 31.805 32.500 -1.412 0.000 1.093 155 K HN 0.537 nan 8.250 nan 0.000 0.459 156 V N 1.152 120.856 119.914 -0.350 0.000 3.129 156 V HA 0.288 4.408 4.120 -0.000 0.000 0.259 156 V C 0.404 176.407 176.094 -0.153 0.000 1.116 156 V CA 0.652 62.842 62.300 -0.185 0.000 1.127 156 V CB -0.326 31.435 31.823 -0.103 0.000 0.742 156 V HN 0.608 nan 8.190 nan 0.000 0.474 157 A N 0.152 122.851 122.820 -0.201 0.000 2.594 157 A HA 0.702 5.022 4.320 -0.000 0.000 0.296 157 A C -0.238 177.250 177.584 -0.160 0.000 1.061 157 A CA 0.132 52.090 52.037 -0.130 0.000 0.689 157 A CB 1.171 20.144 19.000 -0.045 0.000 1.280 157 A HN 0.666 nan 8.150 nan 0.000 0.406 158 T N -1.507 112.974 114.554 -0.122 0.000 2.948 158 T HA 0.494 4.844 4.350 -0.000 0.000 0.285 158 T C 0.862 175.500 174.700 -0.103 0.000 1.019 158 T CA -0.002 62.033 62.100 -0.108 0.000 1.013 158 T CB 1.276 70.083 68.868 -0.102 0.000 1.117 158 T HN 0.912 nan 8.240 nan 0.000 0.533 159 K N 0.204 120.525 120.400 -0.132 0.000 2.442 159 K HA -0.072 4.248 4.320 -0.000 0.000 0.198 159 K C 0.877 177.351 176.600 -0.211 0.000 1.044 159 K CA 1.238 57.390 56.287 -0.225 0.000 0.948 159 K CB -0.167 31.993 32.500 -0.567 0.000 0.762 159 K HN 0.477 nan 8.250 nan 0.000 0.472 160 D N 1.019 121.321 120.400 -0.163 0.000 2.234 160 D HA -0.125 4.514 4.640 -0.000 0.000 0.205 160 D C 1.854 178.095 176.300 -0.098 0.000 0.962 160 D CA 0.969 54.889 54.000 -0.133 0.000 0.855 160 D CB 0.229 40.965 40.800 -0.106 0.000 0.951 160 D HN 0.502 nan 8.370 nan 0.000 0.500 161 Q N 0.357 120.106 119.800 -0.086 0.000 2.178 161 Q HA 0.010 4.350 4.340 -0.000 0.000 0.195 161 Q C 0.326 176.285 176.000 -0.068 0.000 0.960 161 Q CA 0.379 56.153 55.803 -0.048 0.000 0.843 161 Q CB 0.724 29.438 28.738 -0.040 0.000 0.927 161 Q HN -0.081 nan 8.270 nan 0.000 0.487 162 V N 3.307 123.106 119.914 -0.193 0.000 2.276 162 V HA 0.220 4.339 4.120 -0.000 0.000 0.249 162 V C -0.465 175.543 176.094 -0.143 0.000 1.160 162 V CA -0.238 61.819 62.300 -0.404 0.000 1.042 162 V CB 0.063 31.734 31.823 -0.253 0.000 1.224 162 V HN 0.272 nan 8.190 nan 0.000 0.496 163 N N 3.575 122.252 118.700 -0.039 0.000 2.542 163 N HA 0.543 5.282 4.740 -0.000 0.000 0.288 163 N C -0.540 174.960 175.510 -0.017 0.000 1.115 163 N CA 0.579 53.596 53.050 -0.054 0.000 0.924 163 N CB 2.098 40.521 38.487 -0.107 0.000 1.526 163 N HN 0.817 nan 8.380 nan 0.000 0.515 164 G N 1.659 110.429 108.800 -0.049 0.000 3.233 164 G HA2 0.188 4.148 3.960 -0.000 0.000 0.686 164 G HA3 0.188 4.148 3.960 -0.000 0.000 0.686 164 G C 0.706 175.604 174.900 -0.005 0.000 1.153 164 G CA -0.057 45.012 45.100 -0.051 0.000 0.853 164 G HN 0.836 nan 8.290 nan 0.000 0.582 165 A N 1.660 124.420 122.820 -0.101 0.000 1.978 165 A HA 0.037 4.357 4.320 -0.000 0.000 0.220 165 A C 1.750 179.165 177.584 -0.282 0.000 1.170 165 A CA 2.471 54.347 52.037 -0.269 0.000 0.636 165 A CB -0.322 18.361 19.000 -0.529 0.000 0.810 165 A HN 1.162 nan 8.150 nan 0.000 0.448 166 Y N 0.431 120.820 120.300 0.147 0.000 2.462 166 Y HA 0.094 4.644 4.550 -0.000 0.000 0.261 166 Y C 1.311 177.261 175.900 0.084 0.000 1.146 166 Y CA 0.330 58.518 58.100 0.147 0.000 1.283 166 Y CB -0.019 38.593 38.460 0.255 0.000 1.090 166 Y HN 0.279 nan 8.280 nan 0.000 0.526 167 T N 0.029 114.682 114.554 0.166 0.000 2.834 167 T HA 0.144 4.494 4.350 -0.000 0.000 0.298 167 T C -0.045 174.498 174.700 -0.261 0.000 0.966 167 T CA -0.762 61.330 62.100 -0.014 0.000 1.141 167 T CB 1.189 70.071 68.868 0.023 0.000 0.905 167 T HN 0.185 nan 8.240 nan 0.000 0.535 168 R N 2.547 122.830 120.500 -0.362 0.000 2.349 168 R HA 0.254 4.594 4.340 -0.000 0.000 0.299 168 R C -0.554 175.244 176.300 -0.837 0.000 1.027 168 R CA -0.634 55.206 56.100 -0.435 0.000 0.958 168 R CB 0.447 30.649 30.300 -0.164 0.000 1.047 168 R HN 0.784 nan 8.270 nan 0.000 0.468 169 H N 2.099 120.924 119.070 -0.409 0.000 2.589 169 H HA 0.175 4.731 4.556 -0.000 0.000 0.351 169 H C -1.125 174.026 175.328 -0.295 0.000 1.074 169 H CA -0.764 55.016 56.048 -0.447 0.000 1.203 169 H CB 2.241 31.535 29.762 -0.779 0.000 1.558 169 H HN 0.525 nan 8.280 nan 0.000 0.522 170 D N 3.977 124.376 120.400 -0.001 0.000 2.404 170 D HA 0.221 4.861 4.640 -0.000 0.000 0.267 170 D C -0.775 175.643 176.300 0.197 0.000 1.194 170 D CA -0.406 53.654 54.000 0.101 0.000 0.910 170 D CB 0.134 40.968 40.800 0.057 0.000 1.090 170 D HN 0.370 nan 8.370 nan 0.000 0.511 171 L N 2.306 123.683 121.223 0.257 0.000 2.265 171 L HA 0.353 4.693 4.340 -0.000 0.000 0.289 171 L C 0.316 177.295 176.870 0.180 0.000 1.033 171 L CA -0.910 54.060 54.840 0.217 0.000 0.814 171 L CB 1.316 43.514 42.059 0.231 0.000 1.203 171 L HN 0.191 nan 8.230 nan 0.000 0.423 172 D N 4.841 125.293 120.400 0.087 0.000 2.338 172 D HA 0.161 4.801 4.640 -0.000 0.000 0.255 172 D C 0.589 176.780 176.300 -0.180 0.000 1.237 172 D CA -0.131 53.730 54.000 -0.230 0.000 0.883 172 D CB 1.039 41.736 40.800 -0.173 0.000 1.087 172 D HN 0.542 nan 8.370 nan 0.000 0.485 173 I N 0.599 121.039 120.570 -0.217 0.000 3.927 173 I HA 0.157 4.326 4.170 -0.000 0.000 0.332 173 I C 1.105 177.147 176.117 -0.125 0.000 1.485 173 I CA -0.538 60.695 61.300 -0.112 0.000 1.131 173 I CB 0.349 38.321 38.000 -0.047 0.000 1.092 173 I HN 0.013 nan 8.210 nan 0.000 0.410 174 T N 1.752 116.192 114.554 -0.190 0.000 2.720 174 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 174 T C 2.098 176.757 174.700 -0.068 0.000 1.037 174 T CA 2.104 64.121 62.100 -0.139 0.000 1.144 174 T CB -0.124 68.646 68.868 -0.163 0.000 0.864 174 T HN 0.635 nan 8.240 nan 0.000 0.444 175 A N 0.686 123.471 122.820 -0.058 0.000 2.125 175 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 175 A C 2.149 179.729 177.584 -0.006 0.000 1.156 175 A CA 1.283 53.305 52.037 -0.025 0.000 0.671 175 A CB -0.375 18.611 19.000 -0.024 0.000 0.794 175 A HN 0.439 nan 8.150 nan 0.000 0.459 176 Q N -1.297 118.494 119.800 -0.016 0.000 2.378 176 Q HA 0.256 4.596 4.340 -0.000 0.000 0.216 176 Q C 0.172 176.172 176.000 0.001 0.000 0.892 176 Q CA 0.156 55.963 55.803 0.007 0.000 0.931 176 Q CB 0.422 29.159 28.738 -0.001 0.000 1.086 176 Q HN 0.342 nan 8.270 nan 0.000 0.528 177 V N 2.912 122.804 119.914 -0.037 0.000 2.583 177 V HA 0.164 4.284 4.120 -0.000 0.000 0.287 177 V C 0.066 176.139 176.094 -0.035 0.000 1.051 177 V CA -0.366 61.876 62.300 -0.096 0.000 1.010 177 V CB 0.658 32.430 31.823 -0.086 0.000 0.988 177 V HN 0.407 nan 8.190 nan 0.000 0.478 178 H N 1.407 120.485 119.070 0.012 0.000 2.855 178 H HA 0.678 5.234 4.556 -0.000 0.000 0.363 178 H C -0.047 175.290 175.328 0.015 0.000 1.185 178 H CA -0.568 55.487 56.048 0.012 0.000 1.174 178 H CB 1.714 31.483 29.762 0.011 0.000 1.857 178 H HN 0.634 nan 8.280 nan 0.000 0.565 179 T N 0.037 114.729 114.554 0.229 0.000 2.916 179 T HA 0.440 4.790 4.350 -0.000 0.000 0.303 179 T C 1.143 175.977 174.700 0.224 0.000 1.025 179 T CA 1.168 63.360 62.100 0.153 0.000 1.142 179 T CB -0.444 nan 68.868 nan 0.000 0.947 179 T HN 1.124 nan 8.240 nan 0.000 0.544 180 G N 1.013 109.889 108.800 0.127 0.000 2.475 180 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.223 180 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.223 180 G C -0.167 174.794 174.900 0.101 0.000 1.201 180 G CA -0.198 44.974 45.100 0.119 0.000 0.962 180 G HN 1.433 nan 8.290 nan 0.000 0.586 181 V N 3.228 123.221 119.914 0.132 0.000 2.439 181 V HA 0.331 4.451 4.120 -0.000 0.000 0.271 181 V C 0.617 176.777 176.094 0.111 0.000 1.040 181 V CA -0.138 62.220 62.300 0.097 0.000 1.002 181 V CB 0.491 32.365 31.823 0.084 0.000 1.000 181 V HN 0.583 nan 8.190 nan 0.000 0.477 182 N N 2.834 121.517 118.700 -0.028 0.000 2.483 182 N HA 0.599 5.339 4.740 -0.000 0.000 0.285 182 N C -0.792 174.714 175.510 -0.007 0.000 1.210 182 N CA -0.565 52.417 53.050 -0.113 0.000 0.931 182 N CB 2.142 40.483 38.487 -0.245 0.000 1.220 182 N HN 0.573 nan 8.380 nan 0.000 0.542 183 S N 0.371 116.077 115.700 0.010 0.000 2.536 183 S HA 0.513 4.983 4.470 -0.000 0.000 0.287 183 S C -0.604 174.030 174.600 0.056 0.000 1.101 183 S CA -0.710 57.515 58.200 0.041 0.000 0.950 183 S CB 2.051 65.270 63.200 0.033 0.000 1.056 183 S HN 0.247 nan 8.310 nan 0.000 0.481 184 V N 1.600 121.575 119.914 0.101 0.000 2.540 184 V HA 0.898 5.018 4.120 -0.000 0.000 0.302 184 V C -0.287 175.920 176.094 0.188 0.000 1.035 184 V CA -0.608 61.753 62.300 0.102 0.000 0.873 184 V CB 1.470 33.357 31.823 0.107 0.000 0.992 184 V HN 1.049 nan 8.190 nan 0.000 0.428 185 A N 4.324 127.245 122.820 0.169 0.000 2.374 185 A HA 0.891 5.211 4.320 -0.000 0.000 0.305 185 A C -1.194 176.586 177.584 0.326 0.000 1.053 185 A CA -0.414 51.859 52.037 0.393 0.000 0.726 185 A CB 0.954 20.202 19.000 0.413 0.000 1.229 185 A HN 0.626 nan 8.150 nan 0.000 0.431 186 F N 1.615 121.799 119.950 0.390 0.000 2.408 186 F HA 0.435 4.962 4.527 -0.000 0.000 0.344 186 F C 0.835 176.651 175.800 0.028 0.000 1.112 186 F CA -0.266 57.841 58.000 0.178 0.000 1.096 186 F CB 1.747 40.721 39.000 -0.043 0.000 1.129 186 F HN 0.506 nan 8.300 nan 0.000 0.486 187 K N 3.959 124.263 120.400 -0.161 0.000 2.266 187 K HA 0.466 4.786 4.320 -0.000 0.000 0.274 187 K C -1.326 175.120 176.600 -0.257 0.000 1.090 187 K CA -0.301 55.527 56.287 -0.766 0.000 0.925 187 K CB 0.746 32.584 32.500 -1.104 0.000 1.225 187 K HN 0.497 nan 8.250 nan 0.000 0.458 188 V N 5.792 125.609 119.914 -0.162 0.000 2.394 188 V HA 0.252 4.372 4.120 -0.000 0.000 0.282 188 V C -0.521 175.558 176.094 -0.025 0.000 1.031 188 V CA -0.763 61.539 62.300 0.003 0.000 0.881 188 V CB 0.583 32.391 31.823 -0.025 0.000 0.982 188 V HN 0.587 nan 8.190 nan 0.000 0.451 189 Y N 5.101 125.388 120.300 -0.022 0.000 2.335 189 Y HA 0.370 4.920 4.550 -0.000 0.000 0.323 189 Y C -1.827 174.084 175.900 0.019 0.000 1.224 189 Y CA -2.299 55.800 58.100 -0.001 0.000 1.241 189 Y CB 0.989 39.433 38.460 -0.026 0.000 1.235 189 Y HN 0.469 nan 8.280 nan 0.000 0.492 190 P HA -0.134 nan 4.420 nan 0.000 0.266 190 P C -0.961 176.387 177.300 0.079 0.000 1.186 190 P CA 0.369 63.544 63.100 0.125 0.000 0.767 190 P CB 0.435 32.213 31.700 0.130 0.000 0.820 191 N N 1.892 120.614 118.700 0.036 0.000 2.421 191 N HA 0.251 4.990 4.740 -0.000 0.000 0.285 191 N C -1.410 174.095 175.510 -0.008 0.000 1.027 191 N CA -0.302 52.747 53.050 -0.002 0.000 0.918 191 N CB 0.502 38.976 38.487 -0.021 0.000 1.152 191 N HN 0.155 nan 8.380 nan 0.000 0.485 192 D N 4.044 124.426 120.400 -0.030 0.000 2.440 192 D HA 0.317 4.956 4.640 -0.000 0.000 0.252 192 D C -2.017 174.244 176.300 -0.066 0.000 1.180 192 D CA -2.062 51.917 54.000 -0.036 0.000 0.894 192 D CB 1.922 42.703 40.800 -0.031 0.000 1.111 192 D HN 0.374 nan 8.370 nan 0.000 0.544 193 P HA -0.059 nan 4.420 nan 0.000 0.226 193 P C 0.455 177.710 177.300 -0.075 0.000 1.153 193 P CA 0.723 63.778 63.100 -0.076 0.000 0.777 193 P CB 0.425 32.079 31.700 -0.076 0.000 0.794 194 N N -0.355 118.309 118.700 -0.060 0.000 2.416 194 N HA -0.025 4.714 4.740 -0.000 0.000 0.177 194 N C 2.057 177.513 175.510 -0.091 0.000 1.036 194 N CA 0.167 53.184 53.050 -0.055 0.000 0.901 194 N CB -0.104 38.366 38.487 -0.029 0.000 0.976 194 N HN 0.106 nan 8.380 nan 0.000 0.444 195 R N 0.300 120.731 120.500 -0.115 0.000 2.250 195 R HA 0.112 4.452 4.340 -0.000 0.000 0.194 195 R C -0.787 175.375 176.300 -0.230 0.000 0.927 195 R CA 0.381 56.393 56.100 -0.146 0.000 1.052 195 R CB 0.624 30.861 30.300 -0.104 0.000 1.055 195 R HN 0.045 nan 8.270 nan 0.000 0.537 196 D N 1.019 121.277 120.400 -0.236 0.000 2.350 196 D HA 0.205 4.845 4.640 -0.000 0.000 0.245 196 D C -0.725 175.328 176.300 -0.411 0.000 1.036 196 D CA -0.478 53.346 54.000 -0.293 0.000 0.848 196 D CB 2.338 43.023 40.800 -0.191 0.000 1.307 196 D HN 0.063 nan 8.370 nan 0.000 0.469 197 L N 1.947 122.822 121.223 -0.580 0.000 2.404 197 L HA 0.184 4.524 4.340 -0.000 0.000 0.277 197 L C 0.812 177.524 176.870 -0.263 0.000 1.184 197 L CA 0.322 54.612 54.840 -0.917 0.000 1.013 197 L CB 0.048 41.323 42.059 -1.308 0.000 1.318 197 L HN 0.208 nan 8.230 nan 0.000 0.435 198 S N 2.066 117.791 115.700 0.043 0.000 4.205 198 S HA 0.700 5.170 4.470 -0.000 0.000 0.268 198 S C -0.859 173.821 174.600 0.134 0.000 1.082 198 S CA -0.584 57.639 58.200 0.039 0.000 1.431 198 S CB 1.118 64.268 63.200 -0.084 0.000 1.370 198 S HN 0.399 nan 8.310 nan 0.000 0.740 199 M N 0.901 120.429 119.600 -0.121 0.000 2.386 199 M HA 0.633 5.113 4.480 -0.000 0.000 0.293 199 M C -0.267 175.794 176.300 -0.400 0.000 1.120 199 M CA -0.679 54.396 55.300 -0.376 0.000 0.909 199 M CB 2.088 34.356 32.600 -0.553 0.000 1.661 199 M HN 0.703 nan 8.290 nan 0.000 0.452 200 G N 0.415 108.911 108.800 -0.508 0.000 2.798 200 G HA2 0.641 4.601 3.960 -0.000 0.000 0.286 200 G HA3 0.641 4.601 3.960 -0.000 0.000 0.286 200 G C -1.668 172.875 174.900 -0.595 0.000 1.389 200 G CA -0.514 44.330 45.100 -0.426 0.000 0.894 200 G HN 0.930 nan 8.290 nan 0.000 0.488 201 W N 0.426 121.626 121.300 -0.167 0.000 3.123 201 W HA 0.414 5.074 4.660 -0.000 0.000 0.383 201 W C 1.309 177.561 176.519 -0.445 0.000 1.102 201 W CA -0.395 56.755 57.345 -0.325 0.000 1.865 201 W CB -0.492 28.831 29.460 -0.228 0.000 1.111 201 W HN 0.500 nan 8.180 nan 0.000 0.621 202 I N 0.829 121.278 120.570 -0.202 0.000 4.908 202 I HA -0.498 3.672 4.170 -0.000 0.000 0.038 202 I C 1.355 177.521 176.117 0.082 0.000 0.635 202 I CA 2.026 63.252 61.300 -0.122 0.000 0.204 202 I CB -0.835 36.995 38.000 -0.283 0.000 0.319 202 I HN 0.058 nan 8.210 nan 0.000 0.150 203 D N -0.680 119.888 120.400 0.280 0.000 2.538 203 D HA 0.088 4.728 4.640 -0.000 0.000 0.231 203 D C 0.937 177.628 176.300 0.653 0.000 1.229 203 D CA -0.213 54.060 54.000 0.456 0.000 0.828 203 D CB -0.270 40.899 40.800 0.614 0.000 1.035 203 D HN 0.545 nan 8.370 nan 0.000 0.495 204 W N 1.710 123.240 121.300 0.383 0.000 2.436 204 W HA 0.460 5.120 4.660 -0.000 0.000 0.284 204 W C 1.215 177.836 176.519 0.170 0.000 1.225 204 W CA 0.442 58.003 57.345 0.361 0.000 1.271 204 W CB -0.643 28.974 29.460 0.261 0.000 1.114 204 W HN 0.242 nan 8.180 nan 0.000 0.559 205 A N -1.354 121.554 122.820 0.147 0.000 3.972 205 A HA 0.560 4.880 4.320 -0.000 0.000 0.166 205 A C -0.435 176.886 177.584 -0.438 0.000 0.722 205 A CA -0.395 51.478 52.037 -0.274 0.000 1.045 205 A CB 0.512 18.935 19.000 -0.961 0.000 1.949 205 A HN -0.155 nan 8.150 nan 0.000 0.853 206 Q N 0.031 119.272 119.800 -0.931 0.000 2.416 206 Q HA 0.514 4.854 4.340 -0.000 0.000 0.279 206 Q C -1.255 174.412 176.000 -0.555 0.000 1.101 206 Q CA -0.499 54.896 55.803 -0.679 0.000 0.830 206 Q CB 1.561 29.751 28.738 -0.913 0.000 1.402 206 Q HN 0.635 nan 8.270 nan 0.000 0.445 207 T N 3.422 117.813 114.554 -0.272 0.000 2.814 207 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 207 T C -2.276 172.327 174.700 -0.162 0.000 0.956 207 T CA -0.912 61.099 62.100 -0.147 0.000 1.123 207 T CB 0.204 69.045 68.868 -0.045 0.000 0.902 207 T HN 0.194 nan 8.240 nan 0.000 0.528 208 P HA 0.180 nan 4.420 nan 0.000 0.268 208 P C -1.967 175.219 177.300 -0.191 0.000 1.204 208 P CA -1.536 61.535 63.100 -0.048 0.000 0.768 208 P CB 0.215 31.986 31.700 0.118 0.000 0.842 209 P HA -0.175 nan 4.420 nan 0.000 0.218 209 P C 0.730 177.748 177.300 -0.469 0.000 1.148 209 P CA 1.548 64.382 63.100 -0.444 0.000 0.822 209 P CB -0.060 31.209 31.700 -0.719 0.000 0.784 210 D N -1.797 118.104 120.400 -0.831 0.000 2.349 210 D HA 0.000 4.640 4.640 -0.000 0.000 0.214 210 D C 0.686 176.807 176.300 -0.298 0.000 1.063 210 D CA -0.119 53.360 54.000 -0.869 0.000 0.847 210 D CB -0.716 39.280 40.800 -1.340 0.000 0.933 210 D HN 0.008 nan 8.370 nan 0.000 0.513 211 Q N 0.514 120.219 119.800 -0.157 0.000 2.481 211 Q HA -0.271 4.069 4.340 -0.000 0.000 0.272 211 Q C -0.543 175.467 176.000 0.016 0.000 1.157 211 Q CA 0.920 56.712 55.803 -0.017 0.000 0.935 211 Q CB -1.856 26.873 28.738 -0.015 0.000 1.338 211 Q HN 0.339 nan 8.270 nan 0.000 0.494 212 N N -2.024 116.692 118.700 0.027 0.000 2.753 212 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 212 N C 0.136 175.641 175.510 -0.008 0.000 1.097 212 N CA 1.629 54.722 53.050 0.072 0.000 0.786 212 N CB -1.974 36.611 38.487 0.164 0.000 1.137 212 N HN 0.786 nan 8.380 nan 0.000 0.566 213 M N -0.851 118.711 119.600 -0.063 0.000 2.251 213 M HA 0.404 4.884 4.480 -0.000 0.000 0.343 213 M C 0.951 177.217 176.300 -0.057 0.000 1.245 213 M CA 1.182 56.448 55.300 -0.057 0.000 1.061 213 M CB 0.745 33.324 32.600 -0.034 0.000 1.723 213 M HN 0.244 nan 8.290 nan 0.000 0.449 214 G N 3.404 112.135 108.800 -0.116 0.000 2.332 214 G HA2 0.268 4.228 3.960 -0.000 0.000 0.265 214 G HA3 0.268 4.228 3.960 -0.000 0.000 0.265 214 G C -1.631 173.010 174.900 -0.432 0.000 1.329 214 G CA -0.982 43.955 45.100 -0.272 0.000 0.949 214 G HN 0.862 nan 8.290 nan 0.000 0.476 215 I N 1.784 122.024 120.570 -0.550 0.000 2.466 215 I HA 0.336 4.506 4.170 -0.000 0.000 0.279 215 I C 1.114 177.119 176.117 -0.187 0.000 1.033 215 I CA -0.795 60.227 61.300 -0.462 0.000 1.123 215 I CB 1.789 39.314 38.000 -0.792 0.000 1.237 215 I HN 0.646 nan 8.210 nan 0.000 0.460 216 V N 2.119 121.976 119.914 -0.095 0.000 3.647 216 V HA 0.389 4.509 4.120 -0.000 0.000 0.279 216 V C 0.769 176.866 176.094 0.005 0.000 1.314 216 V CA 0.288 62.589 62.300 0.001 0.000 1.125 216 V CB -0.521 31.316 31.823 0.023 0.000 0.907 216 V HN 0.657 nan 8.190 nan 0.000 0.434 217 R N 0.005 120.496 120.500 -0.015 0.000 2.912 217 R HA 0.525 4.864 4.340 -0.000 0.000 0.262 217 R C -1.005 175.320 176.300 0.041 0.000 1.057 217 R CA -0.957 55.137 56.100 -0.009 0.000 0.981 217 R CB 0.820 31.123 30.300 0.004 0.000 1.201 217 R HN 0.174 nan 8.270 nan 0.000 0.484 218 D N 0.572 121.007 120.400 0.059 0.000 2.382 218 D HA 0.114 4.754 4.640 -0.000 0.000 0.240 218 D C -0.525 175.877 176.300 0.169 0.000 1.146 218 D CA 0.161 54.233 54.000 0.121 0.000 0.897 218 D CB 0.995 41.858 40.800 0.106 0.000 1.197 218 D HN -0.010 nan 8.370 nan 0.000 0.432 219 V N 2.859 122.898 119.914 0.207 0.000 2.370 219 V HA 0.279 4.399 4.120 -0.000 0.000 0.283 219 V C 0.310 176.555 176.094 0.252 0.000 1.023 219 V CA -0.686 61.772 62.300 0.262 0.000 0.857 219 V CB 1.081 33.032 31.823 0.213 0.000 0.985 219 V HN 0.272 nan 8.190 nan 0.000 0.443 220 L N 5.151 126.536 121.223 0.270 0.000 2.309 220 L HA 0.584 4.923 4.340 -0.000 0.000 0.282 220 L C -0.433 176.578 176.870 0.235 0.000 1.036 220 L CA -0.807 54.161 54.840 0.213 0.000 0.806 220 L CB 1.909 44.077 42.059 0.182 0.000 1.220 220 L HN 0.331 nan 8.230 nan 0.000 0.429 221 V N 3.792 123.820 119.914 0.190 0.000 2.350 221 V HA 0.401 4.521 4.120 -0.000 0.000 0.276 221 V C 0.132 176.328 176.094 0.171 0.000 1.028 221 V CA -0.574 61.837 62.300 0.185 0.000 0.860 221 V CB 1.025 32.934 31.823 0.144 0.000 0.990 221 V HN 0.706 nan 8.190 nan 0.000 0.453 222 R N 5.073 125.698 120.500 0.209 0.000 2.604 222 R HA 0.747 5.087 4.340 -0.000 0.000 0.287 222 R C -0.726 175.716 176.300 0.237 0.000 0.970 222 R CA -0.902 55.315 56.100 0.194 0.000 0.946 222 R CB 1.981 32.381 30.300 0.168 0.000 1.127 222 R HN 0.570 nan 8.270 nan 0.000 0.473 223 R N 1.047 121.653 120.500 0.178 0.000 2.561 223 R HA 0.460 4.800 4.340 -0.000 0.000 0.297 223 R C -0.850 175.538 176.300 0.148 0.000 0.969 223 R CA -0.695 55.512 56.100 0.177 0.000 0.879 223 R CB 2.109 32.480 30.300 0.117 0.000 1.178 223 R HN 0.921 nan 8.270 nan 0.000 0.445 224 S N -0.332 115.477 115.700 0.180 0.000 2.671 224 S HA 0.710 5.180 4.470 -0.000 0.000 0.277 224 S C 0.138 174.821 174.600 0.138 0.000 1.165 224 S CA -0.541 57.735 58.200 0.127 0.000 0.822 224 S CB 1.918 65.166 63.200 0.081 0.000 1.150 224 S HN 0.608 nan 8.310 nan 0.000 0.479 225 G N 0.359 109.219 108.800 0.099 0.000 3.137 225 G HA2 0.529 4.489 3.960 -0.000 0.000 0.163 225 G HA3 0.529 4.489 3.960 -0.000 0.000 0.163 225 G C 1.227 176.186 174.900 0.098 0.000 1.602 225 G CA -0.074 45.078 45.100 0.087 0.000 1.067 225 G HN 1.228 nan 8.290 nan 0.000 0.568 226 A N -1.456 121.408 122.820 0.074 0.000 1.969 226 A HA 0.306 4.626 4.320 -0.000 0.000 0.218 226 A C 0.871 178.501 177.584 0.076 0.000 1.169 226 A CA 1.082 53.162 52.037 0.071 0.000 0.635 226 A CB -0.394 18.636 19.000 0.050 0.000 0.810 226 A HN 0.388 nan 8.150 nan 0.000 0.445 227 V N -0.026 119.924 119.914 0.061 0.000 2.417 227 V HA 0.607 4.727 4.120 -0.000 0.000 0.291 227 V C 0.161 176.268 176.094 0.021 0.000 1.024 227 V CA -0.494 61.831 62.300 0.042 0.000 0.861 227 V CB 1.128 32.969 31.823 0.030 0.000 0.985 227 V HN 0.470 nan 8.190 nan 0.000 0.436 228 A N 5.131 127.942 122.820 -0.014 0.000 2.290 228 A HA 0.770 5.090 4.320 -0.000 0.000 0.310 228 A C -0.818 176.727 177.584 -0.065 0.000 1.202 228 A CA -0.422 51.551 52.037 -0.106 0.000 0.837 228 A CB 0.815 19.648 19.000 -0.278 0.000 1.139 228 A HN 0.766 nan 8.150 nan 0.000 0.509 229 L N 2.502 123.692 121.223 -0.055 0.000 2.275 229 L HA 0.770 5.110 4.340 -0.000 0.000 0.288 229 L C 0.039 176.897 176.870 -0.021 0.000 1.046 229 L CA 0.159 54.990 54.840 -0.014 0.000 0.805 229 L CB 0.899 42.964 42.059 0.010 0.000 1.193 229 L HN 0.809 nan 8.230 nan 0.000 0.426 230 R N 2.193 122.698 120.500 0.008 0.000 2.740 230 R HA 0.477 4.816 4.340 -0.000 0.000 0.273 230 R C -0.058 176.280 176.300 0.064 0.000 0.998 230 R CA -0.017 56.094 56.100 0.018 0.000 0.900 230 R CB 1.915 32.213 30.300 -0.004 0.000 1.223 230 R HN 0.640 nan 8.270 nan 0.000 0.466 231 S N 0.674 116.415 115.700 0.069 0.000 3.614 231 S HA -0.208 4.262 4.470 -0.000 0.000 0.360 231 S C -0.501 174.225 174.600 0.210 0.000 1.023 231 S CA 0.479 58.739 58.200 0.101 0.000 1.114 231 S CB -0.984 62.294 63.200 0.129 0.000 0.907 231 S HN 0.753 nan 8.310 nan 0.000 0.470 232 A N 2.784 125.691 122.820 0.144 0.000 2.409 232 A HA 0.607 4.927 4.320 -0.000 0.000 0.262 232 A C 0.248 177.928 177.584 0.160 0.000 1.113 232 A CA 0.458 52.568 52.037 0.122 0.000 0.790 232 A CB 0.248 19.276 19.000 0.046 0.000 1.046 232 A HN 1.044 nan 8.150 nan 0.000 0.496 233 H N -0.956 118.072 119.070 -0.070 0.000 2.948 233 H HA 0.643 5.198 4.556 -0.000 0.000 0.315 233 H C -2.094 173.112 175.328 -0.203 0.000 1.360 233 H CA -1.155 54.820 56.048 -0.122 0.000 1.125 233 H CB 0.895 30.593 29.762 -0.106 0.000 1.844 233 H HN 0.458 nan 8.280 nan 0.000 0.529 234 V N 2.199 121.949 119.914 -0.272 0.000 2.409 234 V HA 0.273 4.393 4.120 -0.000 0.000 0.290 234 V C 0.464 176.343 176.094 -0.357 0.000 1.017 234 V CA -0.620 61.373 62.300 -0.512 0.000 0.841 234 V CB 1.041 32.204 31.823 -1.101 0.000 1.003 234 V HN 0.536 nan 8.190 nan 0.000 0.426 235 I N 4.995 125.401 120.570 -0.273 0.000 2.471 235 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 235 I C 0.277 176.265 176.117 -0.215 0.000 1.079 235 I CA 0.420 61.615 61.300 -0.175 0.000 1.398 235 I CB 0.669 38.605 38.000 -0.108 0.000 1.403 235 I HN 0.603 nan 8.210 nan 0.000 0.530 236 Q N 7.688 127.387 119.800 -0.168 0.000 2.292 236 Q HA 0.405 4.745 4.340 -0.000 0.000 0.270 236 Q C -1.593 174.357 176.000 -0.083 0.000 1.024 236 Q CA -0.987 54.735 55.803 -0.135 0.000 0.768 236 Q CB 2.063 30.748 28.738 -0.088 0.000 1.250 236 Q HN 0.549 nan 8.270 nan 0.000 0.447 237 K N 3.969 124.323 120.400 -0.076 0.000 2.463 237 K HA 0.476 4.796 4.320 -0.000 0.000 0.255 237 K C -1.652 174.920 176.600 -0.046 0.000 0.942 237 K CA -0.585 55.671 56.287 -0.052 0.000 0.814 237 K CB 1.166 33.642 32.500 -0.040 0.000 1.122 237 K HN 0.565 nan 8.250 nan 0.000 0.425 238 L N 4.480 125.685 121.223 -0.029 0.000 2.322 238 L HA 0.511 4.851 4.340 -0.000 0.000 0.279 238 L C -0.512 176.366 176.870 0.014 0.000 1.036 238 L CA -0.314 54.516 54.840 -0.017 0.000 0.807 238 L CB 1.079 43.128 42.059 -0.018 0.000 1.226 238 L HN 0.898 nan 8.230 nan 0.000 0.433 239 N N 1.443 120.171 118.700 0.046 0.000 2.399 239 N HA 0.006 4.746 4.740 -0.000 0.000 0.250 239 N C 0.648 176.191 175.510 0.055 0.000 1.272 239 N CA 0.343 53.432 53.050 0.064 0.000 0.928 239 N CB 0.273 38.820 38.487 0.101 0.000 1.158 239 N HN 0.635 nan 8.380 nan 0.000 0.463 240 S N -1.154 114.578 115.700 0.054 0.000 2.447 240 S HA -0.018 4.452 4.470 -0.000 0.000 0.233 240 S C 1.666 176.310 174.600 0.073 0.000 1.006 240 S CA 0.431 58.665 58.200 0.057 0.000 0.957 240 S CB -0.572 62.659 63.200 0.051 0.000 0.773 240 S HN 0.783 nan 8.310 nan 0.000 0.507 241 A N 1.467 124.332 122.820 0.076 0.000 2.119 241 A HA 0.420 4.740 4.320 -0.000 0.000 0.216 241 A C 1.309 178.957 177.584 0.106 0.000 1.152 241 A CA 0.688 52.777 52.037 0.087 0.000 0.708 241 A CB -0.728 18.318 19.000 0.076 0.000 0.805 241 A HN 0.672 nan 8.150 nan 0.000 0.460 242 L N -1.243 120.038 121.223 0.098 0.000 4.291 242 L HA -0.230 4.109 4.340 -0.000 0.000 0.413 242 L C 0.410 177.347 176.870 0.111 0.000 1.162 242 L CA 0.641 55.539 54.840 0.098 0.000 0.961 242 L CB -2.039 40.098 42.059 0.130 0.000 2.095 242 L HN 0.682 nan 8.230 nan 0.000 0.838 243 D N -1.750 118.719 120.400 0.115 0.000 2.469 243 D HA 0.150 4.790 4.640 -0.000 0.000 0.213 243 D C 0.406 176.803 176.300 0.161 0.000 1.135 243 D CA 0.213 54.287 54.000 0.123 0.000 0.834 243 D CB 0.196 41.061 40.800 0.109 0.000 1.009 243 D HN 0.575 nan 8.370 nan 0.000 0.507 244 H N 0.055 119.150 119.070 0.043 0.000 2.947 244 H HA 0.676 5.232 4.556 -0.000 0.000 0.354 244 H C -1.726 173.616 175.328 0.024 0.000 1.085 244 H CA -0.506 55.559 56.048 0.030 0.000 1.253 244 H CB 1.837 31.611 29.762 0.021 0.000 1.757 244 H HN 0.096 nan 8.280 nan 0.000 0.523 245 A N 4.132 126.609 122.820 -0.572 0.000 2.374 245 A HA 0.491 4.811 4.320 -0.000 0.000 0.317 245 A C -1.060 176.220 177.584 -0.507 0.000 1.094 245 A CA -0.838 50.970 52.037 -0.382 0.000 0.765 245 A CB 1.236 20.135 19.000 -0.169 0.000 1.268 245 A HN 0.778 nan 8.150 nan 0.000 0.438 246 D N 1.285 121.536 120.400 -0.248 0.000 2.217 246 D HA 0.501 5.141 4.640 -0.000 0.000 0.243 246 D C -1.222 174.995 176.300 -0.137 0.000 1.054 246 D CA -0.092 53.818 54.000 -0.151 0.000 0.838 246 D CB 1.918 42.690 40.800 -0.046 0.000 1.162 246 D HN 0.159 nan 8.370 nan 0.000 0.472 247 L N 1.915 123.051 121.223 -0.146 0.000 2.349 247 L HA 0.305 4.645 4.340 -0.000 0.000 0.278 247 L C 0.161 176.930 176.870 -0.169 0.000 0.996 247 L CA -0.478 54.241 54.840 -0.201 0.000 0.825 247 L CB 1.660 43.581 42.059 -0.231 0.000 1.243 247 L HN 0.199 nan 8.230 nan 0.000 0.412 248 T N 2.992 117.433 114.554 -0.187 0.000 2.821 248 T HA 0.488 4.838 4.350 -0.000 0.000 0.307 248 T C 0.045 174.619 174.700 -0.210 0.000 1.034 248 T CA -0.414 61.602 62.100 -0.141 0.000 0.953 248 T CB 1.069 69.879 68.868 -0.096 0.000 0.968 248 T HN 0.162 nan 8.240 nan 0.000 0.462 249 V N 4.655 124.459 119.914 -0.183 0.000 2.583 249 V HA 0.391 4.511 4.120 -0.000 0.000 0.287 249 V C 0.296 176.351 176.094 -0.065 0.000 1.051 249 V CA -0.294 61.852 62.300 -0.257 0.000 1.010 249 V CB 0.822 32.351 31.823 -0.489 0.000 0.988 249 V HN 0.715 nan 8.190 nan 0.000 0.478 250 K N 3.043 123.291 120.400 -0.253 0.000 2.468 250 K HA 0.840 5.160 4.320 -0.000 0.000 0.252 250 K C -0.962 175.573 176.600 -0.109 0.000 0.932 250 K CA -0.513 55.672 56.287 -0.170 0.000 0.794 250 K CB 2.509 34.795 32.500 -0.356 0.000 1.241 250 K HN 0.815 nan 8.250 nan 0.000 0.428 251 A N 2.289 125.159 122.820 0.082 0.000 2.574 251 A HA 0.486 4.806 4.320 -0.000 0.000 0.297 251 A C -1.717 175.926 177.584 0.099 0.000 1.062 251 A CA -0.893 51.212 52.037 0.113 0.000 0.686 251 A CB 1.237 20.317 19.000 0.133 0.000 1.285 251 A HN 0.611 nan 8.150 nan 0.000 0.403 252 D N 1.230 121.685 120.400 0.092 0.000 2.210 252 D HA 0.481 5.121 4.640 -0.000 0.000 0.249 252 D C 0.006 176.329 176.300 0.039 0.000 1.078 252 D CA 0.168 54.204 54.000 0.061 0.000 0.875 252 D CB 1.751 42.590 40.800 0.064 0.000 1.175 252 D HN 0.627 nan 8.370 nan 0.000 0.440 253 V N 0.273 120.201 119.914 0.023 0.000 2.495 253 V HA 0.642 4.762 4.120 -0.000 0.000 0.298 253 V C -0.185 175.914 176.094 0.008 0.000 1.031 253 V CA -0.989 61.320 62.300 0.014 0.000 0.871 253 V CB 1.917 33.747 31.823 0.013 0.000 0.988 253 V HN 0.415 nan 8.190 nan 0.000 0.432 254 R N 3.202 123.706 120.500 0.006 0.000 2.476 254 R HA 0.432 4.772 4.340 -0.000 0.000 0.305 254 R C -0.897 175.420 176.300 0.028 0.000 0.965 254 R CA -0.529 55.580 56.100 0.014 0.000 0.867 254 R CB 1.385 31.691 30.300 0.010 0.000 1.176 254 R HN 0.886 nan 8.270 nan 0.000 0.447 255 N N 3.093 121.812 118.700 0.032 0.000 2.521 255 N HA 0.055 4.794 4.740 -0.000 0.000 0.236 255 N C -0.704 174.840 175.510 0.055 0.000 1.067 255 N CA -0.147 52.927 53.050 0.041 0.000 0.939 255 N CB 1.043 39.546 38.487 0.028 0.000 1.201 255 N HN 0.522 nan 8.380 nan 0.000 0.511 256 D N 0.099 120.550 120.400 0.085 0.000 2.328 256 D HA -0.018 4.622 4.640 -0.000 0.000 0.221 256 D C 0.562 176.906 176.300 0.073 0.000 1.072 256 D CA 0.249 54.310 54.000 0.103 0.000 0.850 256 D CB 0.159 41.075 40.800 0.194 0.000 0.922 256 D HN 0.571 nan 8.370 nan 0.000 0.516 257 S N -0.645 115.089 115.700 0.058 0.000 2.713 257 S HA 0.538 5.007 4.470 -0.000 0.000 0.277 257 S C 1.232 175.850 174.600 0.031 0.000 1.168 257 S CA -0.242 57.983 58.200 0.042 0.000 0.994 257 S CB 2.031 65.255 63.200 0.040 0.000 1.054 257 S HN -0.042 nan 8.310 nan 0.000 0.555 258 A N 0.736 123.570 122.820 0.024 0.000 2.208 258 A HA 0.300 4.620 4.320 -0.000 0.000 0.209 258 A C 0.284 177.878 177.584 0.016 0.000 1.161 258 A CA -0.056 51.992 52.037 0.018 0.000 0.782 258 A CB -1.022 17.987 19.000 0.015 0.000 0.816 258 A HN 0.842 nan 8.150 nan 0.000 0.477 259 N N -1.462 117.249 118.700 0.017 0.000 2.265 259 N HA 0.576 5.316 4.740 -0.000 0.000 0.300 259 N C -0.464 175.055 175.510 0.015 0.000 1.148 259 N CA -0.221 52.838 53.050 0.015 0.000 0.772 259 N CB 1.497 39.993 38.487 0.014 0.000 1.434 259 N HN 0.175 nan 8.380 nan 0.000 0.481 260 A N 0.535 123.361 122.820 0.011 0.000 2.531 260 A HA 0.415 4.735 4.320 -0.000 0.000 0.236 260 A C 0.239 177.829 177.584 0.010 0.000 1.062 260 A CA -0.024 52.018 52.037 0.009 0.000 0.760 260 A CB -0.338 18.665 19.000 0.006 0.000 0.995 260 A HN 0.597 nan 8.150 nan 0.000 0.501 261 V N 0.004 119.924 119.914 0.010 0.000 3.160 261 V HA 0.697 4.817 4.120 -0.000 0.000 0.310 261 V C -0.617 175.480 176.094 0.006 0.000 1.181 261 V CA -0.886 61.421 62.300 0.010 0.000 1.047 261 V CB 1.789 33.622 31.823 0.016 0.000 1.068 261 V HN 0.912 nan 8.190 nan 0.000 0.441 262 Q N 0.772 120.576 119.800 0.005 0.000 2.316 262 Q HA 0.597 4.937 4.340 -0.000 0.000 0.264 262 Q C -1.098 174.904 176.000 0.004 0.000 0.987 262 Q CA -0.304 55.500 55.803 0.000 0.000 0.852 262 Q CB 2.065 30.803 28.738 -0.000 0.000 1.287 262 Q HN 1.039 nan 8.270 nan 0.000 0.448 263 T N 1.412 115.967 114.554 0.001 0.000 2.863 263 T HA 0.491 4.840 4.350 -0.000 0.000 0.285 263 T C -0.948 173.754 174.700 0.003 0.000 1.009 263 T CA -0.255 61.849 62.100 0.007 0.000 0.989 263 T CB 1.395 70.271 68.868 0.012 0.000 1.004 263 T HN 0.450 nan 8.240 nan 0.000 0.455 264 T N 3.715 118.279 114.554 0.016 0.000 2.758 264 T HA 0.481 4.831 4.350 -0.000 0.000 0.285 264 T C -0.370 174.362 174.700 0.053 0.000 0.981 264 T CA -0.452 61.663 62.100 0.024 0.000 0.965 264 T CB 0.863 69.748 68.868 0.029 0.000 0.927 264 T HN 0.476 nan 8.240 nan 0.000 0.448 265 V N 3.239 123.197 119.914 0.074 0.000 2.348 265 V HA 0.769 4.888 4.120 -0.000 0.000 0.270 265 V C 0.259 176.519 176.094 0.276 0.000 1.037 265 V CA -0.604 61.799 62.300 0.171 0.000 0.872 265 V CB 0.292 32.252 31.823 0.229 0.000 1.002 265 V HN 1.066 nan 8.190 nan 0.000 0.464 266 A N 3.612 126.540 122.820 0.180 0.000 2.539 266 A HA 1.048 5.368 4.320 -0.000 0.000 0.296 266 A C 0.138 177.756 177.584 0.056 0.000 1.073 266 A CA 0.103 52.227 52.037 0.145 0.000 0.700 266 A CB 2.180 21.244 19.000 0.106 0.000 1.296 266 A HN 1.333 nan 8.150 nan 0.000 0.405 267 G N -0.420 108.385 108.800 0.008 0.000 2.600 267 G HA2 0.618 4.578 3.960 -0.000 0.000 0.103 267 G HA3 0.618 4.578 3.960 -0.000 0.000 0.103 267 G C -0.356 174.519 174.900 -0.040 0.000 1.090 267 G CA 0.751 45.844 45.100 -0.013 0.000 1.090 267 G HN 1.943 nan 8.290 nan 0.000 0.500 268 T N -2.410 112.115 114.554 -0.048 0.000 2.906 268 T HA 0.725 5.075 4.350 -0.000 0.000 0.295 268 T C -1.380 173.289 174.700 -0.051 0.000 1.061 268 T CA -0.550 61.527 62.100 -0.039 0.000 1.000 268 T CB 2.056 70.927 68.868 0.006 0.000 1.103 268 T HN 1.657 nan 8.240 nan 0.000 0.486 269 V N 2.139 122.024 119.914 -0.048 0.000 2.525 269 V HA 0.629 4.748 4.120 -0.000 0.000 0.299 269 V C 0.580 176.705 176.094 0.052 0.000 1.034 269 V CA 0.274 62.580 62.300 0.010 0.000 0.863 269 V CB 0.421 32.173 31.823 -0.118 0.000 0.999 269 V HN 2.124 nan 8.190 nan 0.000 0.423 270 A N 4.781 127.686 122.820 0.141 0.000 2.799 270 A HA -0.003 4.317 4.320 -0.000 0.000 0.287 270 A C 1.909 179.546 177.584 0.089 0.000 1.484 270 A CA 1.722 53.798 52.037 0.065 0.000 0.813 270 A CB -1.809 16.960 19.000 -0.384 0.000 1.009 270 A HN 2.894 nan 8.150 nan 0.000 0.545 271 G N -2.323 106.531 108.800 0.090 0.000 2.179 271 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 271 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 271 G C 0.085 175.006 174.900 0.035 0.000 0.977 271 G CA 1.120 46.261 45.100 0.069 0.000 0.641 271 G HN 1.134 nan 8.290 nan 0.000 0.533 272 K N 1.700 122.107 120.400 0.012 0.000 2.185 272 K HA 0.519 4.839 4.320 -0.000 0.000 0.269 272 K C -2.305 174.288 176.600 -0.011 0.000 0.987 272 K CA -1.994 54.292 56.287 -0.001 0.000 0.865 272 K CB 2.089 34.580 32.500 -0.017 0.000 1.090 272 K HN 0.065 nan 8.250 nan 0.000 0.450 273 P HA 0.213 nan 4.420 nan 0.000 0.279 273 P C -0.788 176.516 177.300 0.007 0.000 1.239 273 P CA -0.300 62.803 63.100 0.004 0.000 0.789 273 P CB 0.565 32.277 31.700 0.019 0.000 0.933 274 I N -1.894 118.678 120.570 0.003 0.000 2.865 274 I HA 0.790 4.960 4.170 -0.000 0.000 0.302 274 I C -0.963 175.265 176.117 0.185 0.000 1.140 274 I CA -0.983 60.357 61.300 0.066 0.000 1.021 274 I CB 2.555 40.471 38.000 -0.141 0.000 1.233 274 I HN 0.264 nan 8.210 nan 0.000 0.427 275 S N 3.048 118.947 115.700 0.333 0.000 2.605 275 S HA 0.430 4.900 4.470 -0.000 0.000 0.279 275 S C -1.538 173.148 174.600 0.144 0.000 1.166 275 S CA -0.535 57.831 58.200 0.276 0.000 0.975 275 S CB 1.505 64.781 63.200 0.127 0.000 1.111 275 S HN 0.704 nan 8.310 nan 0.000 0.465 276 Q N 2.123 121.924 119.800 0.000 0.000 2.394 276 Q HA 0.555 4.895 4.340 -0.000 0.000 0.273 276 Q C -1.110 174.817 176.000 -0.123 0.000 1.089 276 Q CA -0.660 55.012 55.803 -0.219 0.000 0.812 276 Q CB 2.317 30.679 28.738 -0.626 0.000 1.353 276 Q HN 0.686 nan 8.270 nan 0.000 0.438 277 T N 1.211 115.703 114.554 -0.102 0.000 2.812 277 T HA 0.599 4.949 4.350 -0.000 0.000 0.282 277 T C -0.259 174.399 174.700 -0.071 0.000 0.990 277 T CA -0.586 61.477 62.100 -0.062 0.000 0.960 277 T CB 1.143 69.992 68.868 -0.033 0.000 0.948 277 T HN 0.441 nan 8.240 nan 0.000 0.438 278 V N 0.454 120.333 119.914 -0.058 0.000 2.962 278 V HA 0.857 4.977 4.120 -0.000 0.000 0.313 278 V C -0.261 175.815 176.094 -0.030 0.000 1.099 278 V CA -0.863 61.405 62.300 -0.052 0.000 0.971 278 V CB 2.221 34.005 31.823 -0.065 0.000 1.028 278 V HN 0.717 nan 8.190 nan 0.000 0.430 279 S N 2.939 118.623 115.700 -0.025 0.000 2.554 279 S HA 0.801 5.271 4.470 -0.000 0.000 0.278 279 S C -0.530 174.063 174.600 -0.012 0.000 1.242 279 S CA -0.503 57.688 58.200 -0.015 0.000 1.051 279 S CB 0.767 63.959 63.200 -0.013 0.000 0.986 279 S HN 0.672 nan 8.310 nan 0.000 0.502 280 L N 2.670 123.890 121.223 -0.005 0.000 2.404 280 L HA 0.534 4.874 4.340 -0.000 0.000 0.272 280 L C 0.317 177.189 176.870 0.003 0.000 0.980 280 L CA -0.761 54.079 54.840 -0.001 0.000 0.836 280 L CB 1.497 43.558 42.059 0.004 0.000 1.238 280 L HN 0.733 nan 8.230 nan 0.000 0.408 281 A N 2.615 125.436 122.820 0.002 0.000 2.429 281 A HA 0.575 4.895 4.320 -0.000 0.000 0.242 281 A C 0.691 178.281 177.584 0.008 0.000 1.088 281 A CA 0.199 52.239 52.037 0.004 0.000 0.784 281 A CB 0.337 19.338 19.000 0.001 0.000 1.038 281 A HN 0.827 nan 8.150 nan 0.000 0.501 282 A N 0.970 123.796 122.820 0.010 0.000 2.548 282 A HA 0.439 4.759 4.320 -0.000 0.000 0.247 282 A C 0.945 178.538 177.584 0.015 0.000 1.067 282 A CA 0.525 52.571 52.037 0.015 0.000 0.757 282 A CB -0.193 18.815 19.000 0.013 0.000 0.996 282 A HN 1.115 nan 8.150 nan 0.000 0.504 283 K N -0.223 120.190 120.400 0.022 0.000 3.500 283 K HA -0.166 4.154 4.320 -0.000 0.000 0.313 283 K C 0.066 176.677 176.600 0.017 0.000 1.338 283 K CA 1.688 57.989 56.287 0.023 0.000 0.963 283 K CB -1.818 30.693 32.500 0.018 0.000 1.267 283 K HN 0.998 nan 8.250 nan 0.000 0.448 284 E N 0.879 121.087 120.200 0.013 0.000 2.343 284 E HA 0.314 4.664 4.350 -0.000 0.000 0.269 284 E C -0.276 176.329 176.600 0.008 0.000 1.047 284 E CA -0.488 55.916 56.400 0.007 0.000 0.874 284 E CB 0.845 30.547 29.700 0.002 0.000 1.033 284 E HN 0.199 nan 8.360 nan 0.000 0.409 285 R N 3.138 123.640 120.500 0.003 0.000 2.599 285 R HA 0.378 4.718 4.340 -0.000 0.000 0.295 285 R C -1.168 175.131 176.300 -0.002 0.000 0.963 285 R CA -0.629 55.473 56.100 0.003 0.000 0.883 285 R CB 1.082 31.383 30.300 0.002 0.000 1.171 285 R HN 0.413 nan 8.270 nan 0.000 0.450 286 K N 1.634 122.033 120.400 -0.001 0.000 2.422 286 K HA 0.316 4.636 4.320 -0.000 0.000 0.251 286 K C -1.169 175.433 176.600 0.003 0.000 0.933 286 K CA -0.828 55.456 56.287 -0.006 0.000 0.798 286 K CB 2.599 35.088 32.500 -0.017 0.000 1.238 286 K HN 0.478 nan 8.250 nan 0.000 0.428 287 T N 1.831 116.389 114.554 0.006 0.000 2.749 287 T HA 0.193 4.543 4.350 -0.000 0.000 0.295 287 T C -0.232 174.459 174.700 -0.016 0.000 0.936 287 T CA -0.503 61.608 62.100 0.018 0.000 1.060 287 T CB 0.583 69.475 68.868 0.039 0.000 0.904 287 T HN 0.135 nan 8.240 nan 0.000 0.500 288 V N 4.836 124.735 119.914 -0.026 0.000 2.383 288 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 288 V C 0.588 176.634 176.094 -0.079 0.000 1.036 288 V CA -0.662 61.571 62.300 -0.112 0.000 0.889 288 V CB 1.205 32.920 31.823 -0.181 0.000 0.985 288 V HN 0.917 nan 8.190 nan 0.000 0.459 289 T N 6.179 120.667 114.554 -0.111 0.000 2.749 289 T HA 0.554 4.903 4.350 -0.000 0.000 0.287 289 T C -0.262 174.375 174.700 -0.104 0.000 0.970 289 T CA -0.048 62.027 62.100 -0.043 0.000 0.980 289 T CB 0.293 69.140 68.868 -0.036 0.000 0.924 289 T HN 0.288 nan 8.240 nan 0.000 0.456 290 F N 3.549 123.449 119.950 -0.083 0.000 2.382 290 F HA 0.352 4.879 4.527 -0.000 0.000 0.331 290 F C -1.554 174.209 175.800 -0.062 0.000 1.121 290 F CA -2.339 55.620 58.000 -0.068 0.000 1.183 290 F CB 0.180 39.134 39.000 -0.076 0.000 1.207 290 F HN 0.341 nan 8.300 nan 0.000 0.555 291 P HA -0.041 nan 4.420 nan 0.000 0.265 291 P C -0.499 176.837 177.300 0.060 0.000 1.187 291 P CA -0.282 62.852 63.100 0.057 0.000 0.766 291 P CB 0.415 32.142 31.700 0.045 0.000 0.820 292 L N 3.813 125.052 121.223 0.025 0.000 2.628 292 L HA -0.058 4.282 4.340 -0.000 0.000 0.292 292 L C -0.444 176.429 176.870 0.006 0.000 1.250 292 L CA 0.872 55.716 54.840 0.006 0.000 0.892 292 L CB 0.124 42.188 42.059 0.009 0.000 1.138 292 L HN 0.081 nan 8.230 nan 0.000 0.502 293 V N 5.419 125.318 119.914 -0.024 0.000 2.384 293 V HA 0.538 4.658 4.120 -0.000 0.000 0.287 293 V C 0.736 176.808 176.094 -0.037 0.000 1.020 293 V CA -0.322 61.960 62.300 -0.030 0.000 0.850 293 V CB 1.109 32.894 31.823 -0.063 0.000 0.987 293 V HN 0.947 nan 8.190 nan 0.000 0.436 294 G N 4.036 112.845 108.800 0.015 0.000 2.415 294 G HA2 0.532 4.492 3.960 -0.000 0.000 0.269 294 G HA3 0.532 4.492 3.960 -0.000 0.000 0.269 294 G C -1.137 173.754 174.900 -0.015 0.000 1.209 294 G CA -0.233 44.900 45.100 0.056 0.000 0.835 294 G HN 0.506 nan 8.290 nan 0.000 0.534 295 L N 2.222 123.349 121.223 -0.161 0.000 2.406 295 L HA 0.397 4.737 4.340 -0.000 0.000 0.270 295 L C -1.046 175.786 176.870 -0.064 0.000 0.982 295 L CA -0.819 53.946 54.840 -0.125 0.000 0.843 295 L CB 1.818 43.759 42.059 -0.196 0.000 1.225 295 L HN 0.401 nan 8.230 nan 0.000 0.412 296 D N 4.936 125.389 120.400 0.089 0.000 2.255 296 D HA 0.305 4.945 4.640 -0.000 0.000 0.249 296 D C 0.107 176.464 176.300 0.095 0.000 1.078 296 D CA -0.233 53.857 54.000 0.150 0.000 0.896 296 D CB 1.029 41.913 40.800 0.140 0.000 1.194 296 D HN 0.388 nan 8.370 nan 0.000 0.429 297 R N 0.502 121.065 120.500 0.105 0.000 3.038 297 R HA -0.136 4.203 4.340 -0.000 0.000 0.242 297 R C -2.078 174.282 176.300 0.100 0.000 0.866 297 R CA -0.081 56.076 56.100 0.095 0.000 0.601 297 R CB -1.650 28.699 30.300 0.080 0.000 1.107 297 R HN 0.365 nan 8.270 nan 0.000 0.492 298 P HA -0.037 nan 4.420 nan 0.000 0.272 298 P C -0.375 177.045 177.300 0.199 0.000 1.223 298 P CA -0.055 63.154 63.100 0.180 0.000 0.784 298 P CB 0.486 32.272 31.700 0.143 0.000 0.923 299 N N 0.910 119.741 118.700 0.217 0.000 2.434 299 N HA 0.101 4.841 4.740 -0.000 0.000 0.273 299 N C -0.168 175.454 175.510 0.186 0.000 1.210 299 N CA -0.252 52.835 53.050 0.062 0.000 0.992 299 N CB 0.174 38.447 38.487 -0.357 0.000 1.355 299 N HN 0.196 nan 8.380 nan 0.000 0.495 300 V N 2.585 122.611 119.914 0.188 0.000 2.585 300 V HA -0.063 4.057 4.120 -0.000 0.000 0.296 300 V C 0.325 176.465 176.094 0.078 0.000 1.035 300 V CA -0.350 62.005 62.300 0.092 0.000 1.084 300 V CB 0.260 32.056 31.823 -0.046 0.000 0.953 300 V HN 0.568 nan 8.190 nan 0.000 0.483 301 W N 5.730 126.943 121.300 -0.145 0.000 2.287 301 W HA 0.514 5.173 4.660 -0.000 0.000 0.313 301 W C -0.819 175.536 176.519 -0.273 0.000 1.267 301 W CA -0.551 56.742 57.345 -0.087 0.000 1.201 301 W CB 0.632 30.059 29.460 -0.055 0.000 1.196 301 W HN 0.545 nan 8.180 nan 0.000 0.536 302 W N 7.173 128.143 121.300 -0.550 0.000 2.799 302 W HA 0.418 5.078 4.660 -0.000 0.000 0.349 302 W C -1.820 174.063 176.519 -1.061 0.000 1.100 302 W CA -2.299 54.740 57.345 -0.510 0.000 1.174 302 W CB 0.611 29.902 29.460 -0.282 0.000 1.427 302 W HN 0.174 nan 8.180 nan 0.000 0.547 303 P HA 0.062 nan 4.420 nan 0.000 0.268 303 P C -0.351 176.834 177.300 -0.191 0.000 1.208 303 P CA -0.000 62.969 63.100 -0.217 0.000 0.777 303 P CB 0.308 32.040 31.700 0.052 0.000 0.875 304 A N 2.347 125.070 122.820 -0.161 0.000 2.565 304 A HA 0.359 4.679 4.320 -0.000 0.000 0.237 304 A C 1.614 179.144 177.584 -0.091 0.000 1.053 304 A CA 0.988 52.952 52.037 -0.121 0.000 0.755 304 A CB -1.538 17.414 19.000 -0.079 0.000 0.980 304 A HN 0.889 nan 8.150 nan 0.000 0.506 305 G N 1.247 109.986 108.800 -0.102 0.000 2.241 305 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 305 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 305 G C 0.698 175.518 174.900 -0.135 0.000 0.998 305 G CA 0.835 45.876 45.100 -0.098 0.000 0.621 305 G HN 0.740 nan 8.290 nan 0.000 0.519 306 M N 0.358 119.864 119.600 -0.156 0.000 2.333 306 M HA 0.480 4.960 4.480 -0.000 0.000 0.257 306 M C 1.161 177.101 176.300 -0.599 0.000 1.078 306 M CA 1.103 56.233 55.300 -0.283 0.000 1.005 306 M CB 1.095 33.633 32.600 -0.103 0.000 1.444 306 M HN 0.977 nan 8.290 nan 0.000 0.496 307 G N -0.513 108.056 108.800 -0.386 0.000 2.351 307 G HA2 0.322 4.282 3.960 -0.000 0.000 0.279 307 G HA3 0.322 4.282 3.960 -0.000 0.000 0.279 307 G C -1.019 173.803 174.900 -0.130 0.000 1.297 307 G CA -0.606 44.255 45.100 -0.399 0.000 0.886 307 G HN 0.223 nan 8.290 nan 0.000 0.493 308 G N -1.536 107.263 108.800 -0.002 0.000 2.580 308 G HA2 0.499 4.459 3.960 -0.000 0.000 0.278 308 G HA3 0.499 4.459 3.960 -0.000 0.000 0.278 308 G C -0.119 174.717 174.900 -0.106 0.000 1.212 308 G CA -0.054 45.035 45.100 -0.019 0.000 0.939 308 G HN 0.523 nan 8.290 nan 0.000 0.513 309 Q N -0.980 118.738 119.800 -0.136 0.000 2.182 309 Q HA 0.180 4.519 4.340 -0.000 0.000 0.305 309 Q C -0.302 175.770 176.000 0.120 0.000 0.880 309 Q CA -0.429 55.211 55.803 -0.272 0.000 1.131 309 Q CB 0.334 28.961 28.738 -0.186 0.000 1.237 309 Q HN 0.729 nan 8.270 nan 0.000 0.447 310 H N 0.380 119.468 119.070 0.031 0.000 2.848 310 H HA 0.276 4.832 4.556 -0.000 0.000 0.341 310 H C -0.446 174.881 175.328 -0.003 0.000 1.060 310 H CA 0.554 56.577 56.048 -0.043 0.000 1.444 310 H CB 0.490 30.140 29.762 -0.186 0.000 1.446 310 H HN 0.025 nan 8.280 nan 0.000 0.583 311 R N 3.812 123.885 120.500 -0.710 0.000 2.562 311 R HA 0.270 4.610 4.340 -0.000 0.000 0.298 311 R C -0.972 174.666 176.300 -1.104 0.000 0.961 311 R CA -0.756 54.947 56.100 -0.661 0.000 0.881 311 R CB 1.232 31.331 30.300 -0.335 0.000 1.159 311 R HN 0.559 nan 8.270 nan 0.000 0.450 312 Y N 0.468 120.263 120.300 -0.841 0.000 2.326 312 Y HA 0.155 4.705 4.550 -0.000 0.000 0.324 312 Y C 0.486 176.027 175.900 -0.599 0.000 1.291 312 Y CA -0.021 57.638 58.100 -0.734 0.000 1.348 312 Y CB 0.860 38.758 38.460 -0.937 0.000 1.294 312 Y HN 0.374 nan 8.280 nan 0.000 0.525 313 D N 1.735 122.096 120.400 -0.064 0.000 2.168 313 D HA 0.281 4.921 4.640 -0.000 0.000 0.246 313 D C -1.169 175.248 176.300 0.196 0.000 1.050 313 D CA -0.478 53.547 54.000 0.041 0.000 0.857 313 D CB 2.269 43.091 40.800 0.036 0.000 1.169 313 D HN 0.240 nan 8.370 nan 0.000 0.453 314 L N 2.148 123.497 121.223 0.211 0.000 2.296 314 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 314 L C -1.013 175.885 176.870 0.046 0.000 1.023 314 L CA -0.248 54.669 54.840 0.128 0.000 0.812 314 L CB 1.338 43.450 42.059 0.088 0.000 1.223 314 L HN 0.141 nan 8.230 nan 0.000 0.421 315 D N 5.144 125.549 120.400 0.008 0.000 2.620 315 D HA 0.515 5.154 4.640 -0.000 0.000 0.252 315 D C -1.584 174.704 176.300 -0.021 0.000 1.207 315 D CA -0.082 53.921 54.000 0.004 0.000 0.884 315 D CB 1.013 41.824 40.800 0.019 0.000 1.262 315 D HN 0.559 nan 8.370 nan 0.000 0.552 316 L N 2.324 123.542 121.223 -0.009 0.000 2.388 316 L HA 0.627 4.967 4.340 -0.000 0.000 0.264 316 L C -0.385 176.500 176.870 0.024 0.000 0.998 316 L CA -0.713 54.124 54.840 -0.004 0.000 0.817 316 L CB 2.639 44.689 42.059 -0.015 0.000 1.338 316 L HN 0.299 nan 8.230 nan 0.000 0.414 317 T N 1.351 115.929 114.554 0.040 0.000 2.886 317 T HA 0.620 4.970 4.350 -0.000 0.000 0.292 317 T C -0.521 174.214 174.700 0.059 0.000 1.012 317 T CA -0.502 61.625 62.100 0.045 0.000 0.982 317 T CB 1.927 70.819 68.868 0.040 0.000 1.018 317 T HN 0.608 nan 8.240 nan 0.000 0.451 318 A N 2.548 125.400 122.820 0.052 0.000 2.260 318 A HA 0.731 5.051 4.320 -0.000 0.000 0.308 318 A C 0.130 177.739 177.584 0.042 0.000 1.254 318 A CA -0.484 51.583 52.037 0.051 0.000 0.874 318 A CB 0.404 19.429 19.000 0.043 0.000 1.153 318 A HN 0.679 nan 8.150 nan 0.000 0.527 319 S N 0.709 116.433 115.700 0.040 0.000 2.537 319 S HA 0.703 5.173 4.470 -0.000 0.000 0.301 319 S C -0.523 174.095 174.600 0.029 0.000 1.092 319 S CA -0.486 57.734 58.200 0.035 0.000 1.048 319 S CB 1.665 64.886 63.200 0.034 0.000 1.053 319 S HN 0.635 nan 8.310 nan 0.000 0.501 320 V N 1.174 121.105 119.914 0.028 0.000 2.709 320 V HA 0.677 4.797 4.120 -0.000 0.000 0.308 320 V C 0.844 176.952 176.094 0.024 0.000 1.062 320 V CA -0.275 62.039 62.300 0.025 0.000 0.901 320 V CB 1.220 33.059 31.823 0.026 0.000 1.003 320 V HN 1.203 nan 8.190 nan 0.000 0.425 321 G N 2.788 111.600 108.800 0.020 0.000 2.233 321 G HA2 0.015 3.975 3.960 -0.000 0.000 0.270 321 G HA3 0.015 3.975 3.960 -0.000 0.000 0.270 321 G C 1.242 176.154 174.900 0.020 0.000 1.011 321 G CA 0.997 46.109 45.100 0.019 0.000 0.762 321 G HN 2.490 nan 8.290 nan 0.000 0.511 322 G N -2.157 106.656 108.800 0.021 0.000 2.184 322 G HA2 0.096 4.056 3.960 -0.000 0.000 0.264 322 G HA3 0.096 4.056 3.960 -0.000 0.000 0.264 322 G C 0.737 175.652 174.900 0.024 0.000 0.975 322 G CA 1.667 46.780 45.100 0.022 0.000 0.642 322 G HN 2.656 nan 8.290 nan 0.000 0.536 323 T N -1.493 113.077 114.554 0.026 0.000 2.885 323 T HA 0.708 5.057 4.350 -0.000 0.000 0.285 323 T C -3.043 171.677 174.700 0.032 0.000 1.019 323 T CA -1.957 60.160 62.100 0.028 0.000 1.010 323 T CB 3.174 72.058 68.868 0.028 0.000 1.022 323 T HN -0.012 nan 8.240 nan 0.000 0.466 324 P HA 0.231 nan 4.420 nan 0.000 0.271 324 P C 0.407 177.730 177.300 0.039 0.000 1.226 324 P CA -0.189 62.932 63.100 0.036 0.000 0.765 324 P CB 1.088 32.809 31.700 0.036 0.000 0.835 325 S N 1.973 117.697 115.700 0.040 0.000 2.412 325 S HA 0.041 4.511 4.470 -0.000 0.000 0.223 325 S C 0.460 175.086 174.600 0.044 0.000 1.048 325 S CA 0.845 59.071 58.200 0.045 0.000 0.954 325 S CB -0.091 63.135 63.200 0.043 0.000 0.840 325 S HN 0.510 nan 8.310 nan 0.000 0.503 326 D N -1.145 119.276 120.400 0.036 0.000 2.596 326 D HA 0.732 5.372 4.640 -0.000 0.000 0.262 326 D C -1.497 174.821 176.300 0.030 0.000 1.210 326 D CA -0.057 53.961 54.000 0.028 0.000 0.873 326 D CB 2.088 42.892 40.800 0.007 0.000 1.408 326 D HN 0.368 nan 8.370 nan 0.000 0.441 327 A N 0.059 122.896 122.820 0.028 0.000 2.572 327 A HA 0.878 5.198 4.320 -0.000 0.000 0.295 327 A C -1.684 175.917 177.584 0.028 0.000 1.072 327 A CA -0.111 51.944 52.037 0.031 0.000 0.691 327 A CB 1.728 20.748 19.000 0.034 0.000 1.291 327 A HN 0.820 nan 8.150 nan 0.000 0.404 328 A N 1.529 124.366 122.820 0.027 0.000 2.465 328 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 328 A C -0.996 176.604 177.584 0.026 0.000 1.041 328 A CA -0.581 51.472 52.037 0.028 0.000 0.718 328 A CB 1.131 20.147 19.000 0.026 0.000 1.266 328 A HN 0.664 nan 8.150 nan 0.000 0.403 329 K N 1.377 121.796 120.400 0.031 0.000 2.182 329 K HA 0.744 5.064 4.320 -0.000 0.000 0.262 329 K C -0.226 176.395 176.600 0.036 0.000 0.957 329 K CA -0.370 55.937 56.287 0.033 0.000 0.842 329 K CB 1.948 34.468 32.500 0.034 0.000 1.099 329 K HN 0.888 nan 8.250 nan 0.000 0.438 330 S N 1.695 117.420 115.700 0.042 0.000 2.685 330 S HA 0.556 5.025 4.470 -0.000 0.000 0.282 330 S C -1.022 173.611 174.600 0.055 0.000 1.159 330 S CA -1.122 57.102 58.200 0.039 0.000 0.833 330 S CB 1.850 65.070 63.200 0.033 0.000 1.151 330 S HN 0.471 nan 8.310 nan 0.000 0.485 331 K N -0.009 120.401 120.400 0.018 0.000 2.350 331 K HA 0.812 5.132 4.320 -0.000 0.000 0.241 331 K C -1.446 175.185 176.600 0.052 0.000 0.994 331 K CA -0.743 55.533 56.287 -0.019 0.000 0.839 331 K CB 1.664 34.102 32.500 -0.103 0.000 1.244 331 K HN 0.738 nan 8.250 nan 0.000 0.443 332 F N -2.523 117.369 119.950 -0.096 0.000 2.678 332 F HA 0.610 5.137 4.527 -0.000 0.000 0.308 332 F C -0.702 175.063 175.800 -0.058 0.000 1.118 332 F CA -1.104 56.827 58.000 -0.115 0.000 0.959 332 F CB 1.106 40.053 39.000 -0.087 0.000 1.305 332 F HN 0.508 nan 8.300 nan 0.000 0.443 333 G N 0.843 109.625 108.800 -0.031 0.000 2.420 333 G HA2 0.578 4.537 3.960 -0.000 0.000 0.331 333 G HA3 0.578 4.537 3.960 -0.000 0.000 0.331 333 G C -1.781 173.209 174.900 0.150 0.000 1.168 333 G CA -1.152 43.921 45.100 -0.046 0.000 0.936 333 G HN 0.695 nan 8.290 nan 0.000 0.479 334 V N 2.630 122.676 119.914 0.220 0.000 2.334 334 V HA 0.605 4.725 4.120 -0.000 0.000 0.267 334 V C 0.393 176.540 176.094 0.088 0.000 1.040 334 V CA -0.413 62.003 62.300 0.194 0.000 0.866 334 V CB 0.240 32.220 31.823 0.262 0.000 1.019 334 V HN 0.805 nan 8.190 nan 0.000 0.468 335 R N 3.410 123.919 120.500 0.014 0.000 2.579 335 R HA 0.363 4.703 4.340 -0.000 0.000 0.260 335 R C -2.119 174.149 176.300 -0.054 0.000 1.103 335 R CA -0.548 55.532 56.100 -0.034 0.000 0.942 335 R CB 2.464 32.775 30.300 0.018 0.000 1.251 335 R HN 0.712 nan 8.270 nan 0.000 0.450 336 D N 2.080 122.440 120.400 -0.068 0.000 2.185 336 D HA 0.491 5.131 4.640 -0.000 0.000 0.247 336 D C -1.357 174.938 176.300 -0.009 0.000 1.027 336 D CA -0.480 53.496 54.000 -0.041 0.000 0.861 336 D CB 2.119 42.900 40.800 -0.032 0.000 1.202 336 D HN 0.324 nan 8.370 nan 0.000 0.453 337 V N 2.433 122.347 119.914 0.000 0.000 2.709 337 V HA 0.623 4.743 4.120 -0.000 0.000 0.308 337 V C -1.614 174.504 176.094 0.039 0.000 1.062 337 V CA -0.543 61.788 62.300 0.053 0.000 0.901 337 V CB 1.632 33.511 31.823 0.092 0.000 1.003 337 V HN 0.604 nan 8.190 nan 0.000 0.425 338 K N 4.473 124.912 120.400 0.064 0.000 2.375 338 K HA 0.891 5.210 4.320 -0.000 0.000 0.249 338 K C -1.031 175.545 176.600 -0.039 0.000 0.942 338 K CA -0.574 55.720 56.287 0.011 0.000 0.806 338 K CB 2.472 34.978 32.500 0.011 0.000 1.227 338 K HN 0.962 nan 8.250 nan 0.000 0.430 339 A N 1.627 124.342 122.820 -0.175 0.000 2.522 339 A HA 0.444 4.764 4.320 -0.000 0.000 0.285 339 A C -0.540 176.887 177.584 -0.262 0.000 1.198 339 A CA -0.611 51.163 52.037 -0.438 0.000 0.742 339 A CB 0.562 19.024 19.000 -0.897 0.000 1.176 339 A HN 0.682 nan 8.150 nan 0.000 0.444 340 T N -0.150 114.307 114.554 -0.161 0.000 2.930 340 T HA 0.738 5.088 4.350 -0.000 0.000 0.290 340 T C -0.235 174.432 174.700 -0.056 0.000 1.052 340 T CA -0.798 61.249 62.100 -0.087 0.000 1.017 340 T CB 0.962 69.808 68.868 -0.038 0.000 1.137 340 T HN 0.378 nan 8.240 nan 0.000 0.511 341 L N 3.313 124.517 121.223 -0.032 0.000 2.360 341 L HA 0.348 4.687 4.340 -0.000 0.000 0.276 341 L C 0.859 177.740 176.870 0.020 0.000 1.121 341 L CA -0.936 53.905 54.840 0.000 0.000 0.845 341 L CB 0.143 42.203 42.059 0.001 0.000 1.143 341 L HN 0.792 nan 8.230 nan 0.000 0.452 342 N N 0.751 119.477 118.700 0.043 0.000 2.364 342 N HA 0.037 4.777 4.740 -0.000 0.000 0.264 342 N C 0.931 176.461 175.510 0.033 0.000 1.263 342 N CA -0.188 52.887 53.050 0.043 0.000 0.959 342 N CB 0.327 38.850 38.487 0.061 0.000 1.204 342 N HN 0.542 nan 8.380 nan 0.000 0.550 343 S N -1.760 113.955 115.700 0.024 0.000 2.465 343 S HA -0.112 4.358 4.470 -0.000 0.000 0.241 343 S C 1.002 175.612 174.600 0.017 0.000 1.000 343 S CA 0.813 59.022 58.200 0.015 0.000 0.964 343 S CB -0.641 62.563 63.200 0.007 0.000 0.763 343 S HN 0.528 nan 8.310 nan 0.000 0.512 344 S N 0.270 115.989 115.700 0.031 0.000 2.556 344 S HA 0.498 4.968 4.470 -0.000 0.000 0.216 344 S C 1.363 175.998 174.600 0.059 0.000 0.970 344 S CA 0.180 58.401 58.200 0.036 0.000 0.912 344 S CB 0.264 63.492 63.200 0.046 0.000 0.790 344 S HN 1.008 nan 8.310 nan 0.000 0.504 345 G N 1.340 110.175 108.800 0.059 0.000 2.159 345 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.256 345 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.256 345 G C 0.237 175.198 174.900 0.101 0.000 0.977 345 G CA -0.246 44.896 45.100 0.070 0.000 0.652 345 G HN 0.786 nan 8.290 nan 0.000 0.531 346 G N -0.405 108.468 108.800 0.123 0.000 2.338 346 G HA2 0.585 4.545 3.960 -0.000 0.000 0.298 346 G HA3 0.585 4.545 3.960 -0.000 0.000 0.298 346 G C 0.078 175.061 174.900 0.138 0.000 1.140 346 G CA -0.459 44.739 45.100 0.164 0.000 0.860 346 G HN 0.507 nan 8.290 nan 0.000 0.470 347 R N 0.966 121.549 120.500 0.139 0.000 2.404 347 R HA 0.219 4.558 4.340 -0.000 0.000 0.315 347 R C -0.119 176.288 176.300 0.178 0.000 1.032 347 R CA -0.023 56.110 56.100 0.055 0.000 0.992 347 R CB 0.459 30.706 30.300 -0.088 0.000 0.959 347 R HN 0.485 nan 8.270 nan 0.000 0.428 348 Q N 4.418 124.263 119.800 0.074 0.000 2.339 348 Q HA 0.254 4.594 4.340 -0.000 0.000 0.268 348 Q C -1.657 174.395 176.000 0.087 0.000 1.027 348 Q CA -0.464 55.448 55.803 0.181 0.000 0.759 348 Q CB 0.660 29.499 28.738 0.168 0.000 1.244 348 Q HN 0.611 nan 8.270 nan 0.000 0.464 349 Y N 1.241 121.664 120.300 0.204 0.000 2.304 349 Y HA 0.534 5.084 4.550 -0.000 0.000 0.327 349 Y C 0.495 176.490 175.900 0.158 0.000 1.209 349 Y CA 0.181 58.378 58.100 0.162 0.000 1.299 349 Y CB 1.638 40.207 38.460 0.183 0.000 1.249 349 Y HN 0.684 nan 8.280 nan 0.000 0.519 350 S N 0.700 116.572 115.700 0.287 0.000 2.540 350 S HA 0.792 5.262 4.470 -0.000 0.000 0.275 350 S C -1.616 173.105 174.600 0.202 0.000 1.123 350 S CA -0.902 57.433 58.200 0.225 0.000 0.907 350 S CB 1.417 64.717 63.200 0.166 0.000 1.081 350 S HN 0.330 nan 8.310 nan 0.000 0.476 351 V N 2.653 122.684 119.914 0.195 0.000 2.448 351 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 351 V C 0.124 176.271 176.094 0.088 0.000 1.025 351 V CA -0.820 61.570 62.300 0.150 0.000 0.859 351 V CB 0.630 32.573 31.823 0.200 0.000 0.988 351 V HN 1.148 nan 8.190 nan 0.000 0.431 352 N N 3.710 122.399 118.700 -0.018 0.000 2.727 352 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 352 N C 1.079 176.630 175.510 0.068 0.000 1.048 352 N CA 0.580 53.577 53.050 -0.089 0.000 0.714 352 N CB -0.816 37.377 38.487 -0.489 0.000 0.959 352 N HN 1.439 nan 8.380 nan 0.000 0.544 353 G N -1.209 107.647 108.800 0.092 0.000 2.162 353 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 353 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 353 G C -0.143 174.850 174.900 0.156 0.000 0.976 353 G CA 0.550 45.720 45.100 0.116 0.000 0.655 353 G HN 0.273 nan 8.290 nan 0.000 0.533 354 K N 1.490 122.011 120.400 0.202 0.000 2.264 354 K HA 0.448 4.767 4.320 -0.000 0.000 0.277 354 K C -2.299 174.430 176.600 0.214 0.000 1.067 354 K CA -2.431 53.988 56.287 0.220 0.000 0.900 354 K CB 1.820 34.492 32.500 0.285 0.000 1.124 354 K HN 0.196 nan 8.250 nan 0.000 0.469 355 P HA 0.171 nan 4.420 nan 0.000 0.271 355 P C -0.593 176.884 177.300 0.294 0.000 1.218 355 P CA -0.542 62.711 63.100 0.255 0.000 0.780 355 P CB 0.680 32.528 31.700 0.246 0.000 0.901 356 L N 2.439 123.831 121.223 0.282 0.000 2.422 356 L HA 0.380 4.720 4.340 -0.000 0.000 0.264 356 L C -0.452 176.384 176.870 -0.056 0.000 0.984 356 L CA -1.001 53.915 54.840 0.127 0.000 0.819 356 L CB 1.560 43.688 42.059 0.115 0.000 1.330 356 L HN 0.242 nan 8.230 nan 0.000 0.410 357 L N 4.489 125.332 121.223 -0.632 0.000 2.361 357 L HA 0.346 4.686 4.340 -0.000 0.000 0.278 357 L C -0.246 176.459 176.870 -0.275 0.000 1.113 357 L CA 0.195 54.625 54.840 -0.682 0.000 0.849 357 L CB 0.110 41.514 42.059 -1.092 0.000 1.155 357 L HN 0.274 nan 8.230 nan 0.000 0.452 358 I N 6.297 126.771 120.570 -0.159 0.000 2.587 358 I HA 0.103 4.273 4.170 -0.000 0.000 0.284 358 I C 0.426 176.431 176.117 -0.186 0.000 1.134 358 I CA 0.520 61.743 61.300 -0.129 0.000 1.410 358 I CB -0.245 37.730 38.000 -0.042 0.000 1.392 358 I HN 0.619 nan 8.210 nan 0.000 0.545 359 R N 4.589 125.037 120.500 -0.087 0.000 2.422 359 R HA 0.668 5.008 4.340 -0.000 0.000 0.307 359 R C 0.146 176.490 176.300 0.072 0.000 1.004 359 R CA -0.439 55.671 56.100 0.017 0.000 0.882 359 R CB 2.040 32.360 30.300 0.032 0.000 1.164 359 R HN 0.868 nan 8.270 nan 0.000 0.489 360 G N 0.444 109.324 108.800 0.133 0.000 2.815 360 G HA2 0.720 4.680 3.960 -0.000 0.000 0.305 360 G HA3 0.720 4.680 3.960 -0.000 0.000 0.305 360 G C -1.225 173.792 174.900 0.196 0.000 1.277 360 G CA -0.664 44.511 45.100 0.125 0.000 0.795 360 G HN 0.568 nan 8.290 nan 0.000 0.528 361 G N -1.750 107.139 108.800 0.149 0.000 2.660 361 G HA2 0.634 4.594 3.960 -0.000 0.000 0.294 361 G HA3 0.634 4.594 3.960 -0.000 0.000 0.294 361 G C -0.203 174.745 174.900 0.080 0.000 1.369 361 G CA 0.136 45.321 45.100 0.143 0.000 0.912 361 G HN 1.195 nan 8.290 nan 0.000 0.479 362 G N -0.515 108.264 108.800 -0.035 0.000 2.356 362 G HA2 0.413 4.373 3.960 -0.000 0.000 0.273 362 G HA3 0.413 4.373 3.960 -0.000 0.000 0.273 362 G C -0.629 174.076 174.900 -0.324 0.000 1.213 362 G CA -0.017 44.934 45.100 -0.248 0.000 0.955 362 G HN 0.616 nan 8.290 nan 0.000 0.454 363 Y N 2.431 122.595 120.300 -0.228 0.000 2.308 363 Y HA 0.589 5.139 4.550 -0.000 0.000 0.329 363 Y C 0.452 176.228 175.900 -0.206 0.000 1.111 363 Y CA -0.386 57.617 58.100 -0.162 0.000 1.179 363 Y CB 2.003 40.470 38.460 0.013 0.000 1.201 363 Y HN 0.529 nan 8.280 nan 0.000 0.483 364 T N 8.219 122.212 114.554 -0.936 0.000 2.900 364 T HA 0.546 4.896 4.350 -0.000 0.000 0.295 364 T C -2.877 171.344 174.700 -0.799 0.000 1.044 364 T CA -2.333 59.403 62.100 -0.607 0.000 0.995 364 T CB 1.467 70.197 68.868 -0.231 0.000 1.072 364 T HN 0.542 nan 8.240 nan 0.000 0.473 365 P HA 0.241 nan 4.420 nan 0.000 0.277 365 P C -0.565 176.793 177.300 0.096 0.000 1.276 365 P CA -0.268 62.861 63.100 0.048 0.000 0.788 365 P CB 0.326 32.194 31.700 0.281 0.000 1.114 366 D N -1.005 119.468 120.400 0.123 0.000 2.423 366 D HA -0.055 4.585 4.640 -0.000 0.000 0.238 366 D C 1.229 177.442 176.300 -0.145 0.000 1.142 366 D CA -0.280 53.739 54.000 0.032 0.000 0.884 366 D CB 0.215 41.090 40.800 0.125 0.000 1.199 366 D HN 0.057 nan 8.370 nan 0.000 0.438 367 L N 3.114 123.963 121.223 -0.622 0.000 2.131 367 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 367 L C 0.846 177.176 176.870 -0.901 0.000 1.092 367 L CA 1.635 55.675 54.840 -1.334 0.000 0.759 367 L CB -0.390 40.660 42.059 -1.682 0.000 0.903 367 L HN 0.520 nan 8.230 nan 0.000 0.435 368 F N -1.045 118.933 119.950 0.046 0.000 2.639 368 F HA 0.351 4.878 4.527 -0.000 0.000 0.300 368 F C 0.984 176.885 175.800 0.169 0.000 1.109 368 F CA -0.819 57.248 58.000 0.113 0.000 1.335 368 F CB -0.610 38.423 39.000 0.056 0.000 1.014 368 F HN -0.193 nan 8.300 nan 0.000 0.537 369 L N 0.209 121.607 121.223 0.292 0.000 3.737 369 L HA -0.313 4.027 4.340 -0.000 0.000 0.418 369 L C 0.247 177.295 176.870 0.298 0.000 1.216 369 L CA 0.336 55.363 54.840 0.312 0.000 0.915 369 L CB -1.612 40.623 42.059 0.293 0.000 1.834 369 L HN 0.257 nan 8.230 nan 0.000 0.943 370 R N 0.725 121.389 120.500 0.274 0.000 2.370 370 R HA 0.129 4.469 4.340 -0.000 0.000 0.309 370 R C 0.098 176.570 176.300 0.287 0.000 1.059 370 R CA -0.155 56.096 56.100 0.252 0.000 0.981 370 R CB 0.684 31.095 30.300 0.184 0.000 0.972 370 R HN 0.296 nan 8.270 nan 0.000 0.437 371 W N 5.335 126.716 121.300 0.136 0.000 2.469 371 W HA 0.290 4.950 4.660 -0.000 0.000 0.320 371 W C -1.136 175.457 176.519 0.123 0.000 1.086 371 W CA -0.523 56.905 57.345 0.139 0.000 1.211 371 W CB 1.309 30.853 29.460 0.141 0.000 1.298 371 W HN 0.502 nan 8.180 nan 0.000 0.525 372 N N 4.462 122.573 118.700 -0.982 0.000 2.542 372 N HA -0.032 4.707 4.740 -0.000 0.000 0.288 372 N C 0.306 175.139 175.510 -1.129 0.000 1.115 372 N CA -0.061 52.519 53.050 -0.783 0.000 0.924 372 N CB 1.743 40.040 38.487 -0.316 0.000 1.526 372 N HN 0.731 nan 8.380 nan 0.000 0.515 373 E N 1.916 121.613 120.200 -0.839 0.000 2.077 373 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 373 E C 0.701 177.152 176.600 -0.248 0.000 0.989 373 E CA 1.825 57.975 56.400 -0.417 0.000 0.800 373 E CB 0.283 30.062 29.700 0.132 0.000 0.746 373 E HN 0.649 nan 8.360 nan 0.000 0.452 374 T N 0.622 115.067 114.554 -0.183 0.000 2.684 374 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 374 T C 1.868 176.471 174.700 -0.161 0.000 1.036 374 T CA 1.501 63.523 62.100 -0.129 0.000 1.148 374 T CB -0.387 68.427 68.868 -0.089 0.000 0.863 374 T HN 0.367 nan 8.240 nan 0.000 0.436 375 A N 1.368 124.064 122.820 -0.206 0.000 1.933 375 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 375 A C 2.653 180.152 177.584 -0.142 0.000 1.175 375 A CA 1.855 53.790 52.037 -0.170 0.000 0.628 375 A CB -1.100 17.814 19.000 -0.143 0.000 0.814 375 A HN 0.517 nan 8.150 nan 0.000 0.444 376 A N -0.030 122.672 122.820 -0.197 0.000 1.883 376 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 376 A C 2.528 180.083 177.584 -0.047 0.000 1.186 376 A CA 2.259 54.275 52.037 -0.035 0.000 0.624 376 A CB -1.084 17.887 19.000 -0.049 0.000 0.822 376 A HN 1.084 nan 8.150 nan 0.000 0.444 377 A N -0.032 122.731 122.820 -0.095 0.000 1.902 377 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 377 A C 1.758 179.275 177.584 -0.112 0.000 1.181 377 A CA 1.896 53.876 52.037 -0.095 0.000 0.623 377 A CB -0.629 18.332 19.000 -0.066 0.000 0.818 377 A HN 0.471 nan 8.150 nan 0.000 0.443 378 D N -0.077 120.231 120.400 -0.152 0.000 2.123 378 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 378 D C 1.927 178.000 176.300 -0.379 0.000 0.992 378 D CA 1.477 55.327 54.000 -0.251 0.000 0.833 378 D CB -0.258 40.359 40.800 -0.306 0.000 0.954 378 D HN 0.515 nan 8.370 nan 0.000 0.455 379 K N 0.071 120.311 120.400 -0.267 0.000 2.057 379 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 379 K C 2.351 178.962 176.600 0.018 0.000 1.050 379 K CA 0.490 56.673 56.287 -0.174 0.000 0.935 379 K CB -0.131 32.510 32.500 0.235 0.000 0.715 379 K HN 0.114 nan 8.250 nan 0.000 0.439 380 L N 1.177 122.389 121.223 -0.018 0.000 2.093 380 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 380 L C 2.208 179.071 176.870 -0.012 0.000 1.085 380 L CA 1.298 56.102 54.840 -0.061 0.000 0.755 380 L CB -0.228 41.684 42.059 -0.246 0.000 0.904 380 L HN 0.102 nan 8.230 nan 0.000 0.435 381 K N -1.075 119.317 120.400 -0.013 0.000 2.152 381 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 381 K C 2.102 178.804 176.600 0.170 0.000 1.048 381 K CA 1.295 57.611 56.287 0.049 0.000 0.933 381 K CB -0.189 32.334 32.500 0.038 0.000 0.721 381 K HN 0.138 nan 8.250 nan 0.000 0.447 382 Y N 0.873 121.137 120.300 -0.059 0.000 2.224 382 Y HA -0.209 4.341 4.550 -0.000 0.000 0.289 382 Y C 2.286 178.227 175.900 0.067 0.000 1.146 382 Y CA 0.275 58.374 58.100 -0.002 0.000 1.182 382 Y CB -0.832 37.494 38.460 -0.224 0.000 0.983 382 Y HN -0.209 nan 8.280 nan 0.000 0.524 383 V N 0.196 120.244 119.914 0.222 0.000 2.278 383 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 383 V C 2.432 178.534 176.094 0.014 0.000 1.062 383 V CA 2.040 64.407 62.300 0.112 0.000 1.038 383 V CB -0.995 30.884 31.823 0.093 0.000 0.646 383 V HN 0.346 nan 8.190 nan 0.000 0.447 384 L N 0.019 121.256 121.223 0.022 0.000 2.109 384 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 384 L C 2.524 179.382 176.870 -0.019 0.000 1.086 384 L CA 1.758 56.592 54.840 -0.011 0.000 0.760 384 L CB -0.851 41.204 42.059 -0.006 0.000 0.910 384 L HN 0.481 nan 8.230 nan 0.000 0.437 385 N N 1.047 119.758 118.700 0.017 0.000 2.149 385 N HA -0.188 4.551 4.740 -0.000 0.000 0.188 385 N C 1.920 177.390 175.510 -0.067 0.000 1.019 385 N CA 1.152 54.208 53.050 0.011 0.000 0.857 385 N CB 0.044 38.559 38.487 0.047 0.000 0.997 385 N HN 0.313 nan 8.380 nan 0.000 0.426 386 L N 0.098 121.222 121.223 -0.165 0.000 2.362 386 L HA -0.010 4.330 4.340 -0.000 0.000 0.219 386 L C 1.519 178.200 176.870 -0.314 0.000 1.134 386 L CA 0.819 55.442 54.840 -0.362 0.000 0.807 386 L CB -0.378 41.407 42.059 -0.457 0.000 0.927 386 L HN 0.386 nan 8.230 nan 0.000 0.447 387 G N -0.051 108.628 108.800 -0.201 0.000 2.148 387 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 387 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 387 G C 0.279 175.060 174.900 -0.198 0.000 0.981 387 G CA 0.023 45.012 45.100 -0.185 0.000 0.670 387 G HN 0.239 nan 8.290 nan 0.000 0.528 388 L N -0.012 121.091 121.223 -0.200 0.000 2.466 388 L HA 0.395 4.735 4.340 -0.000 0.000 0.257 388 L C 1.522 178.347 176.870 -0.075 0.000 1.189 388 L CA -0.053 54.694 54.840 -0.155 0.000 0.813 388 L CB 0.565 42.544 42.059 -0.134 0.000 1.118 388 L HN 0.316 nan 8.230 nan 0.000 0.471 389 N N -1.879 116.795 118.700 -0.045 0.000 2.197 389 N HA 0.061 4.801 4.740 -0.000 0.000 0.201 389 N C -0.329 175.191 175.510 0.016 0.000 1.148 389 N CA -0.147 52.895 53.050 -0.014 0.000 0.883 389 N CB 0.814 39.292 38.487 -0.015 0.000 1.012 389 N HN 0.527 nan 8.380 nan 0.000 0.507 390 T N 0.066 114.633 114.554 0.021 0.000 2.932 390 T HA 0.531 4.881 4.350 -0.000 0.000 0.318 390 T C -1.148 173.592 174.700 0.067 0.000 1.265 390 T CA -0.800 61.324 62.100 0.041 0.000 1.036 390 T CB 2.282 71.164 68.868 0.022 0.000 1.209 390 T HN 0.090 nan 8.240 nan 0.000 0.484 391 V N 0.434 120.397 119.914 0.083 0.000 2.555 391 V HA 0.781 4.901 4.120 -0.000 0.000 0.302 391 V C -0.213 175.957 176.094 0.127 0.000 1.038 391 V CA -1.192 61.182 62.300 0.123 0.000 0.887 391 V CB 1.756 33.673 31.823 0.157 0.000 0.991 391 V HN 0.884 nan 8.190 nan 0.000 0.434 392 R N 2.943 123.525 120.500 0.137 0.000 2.368 392 R HA 0.722 5.062 4.340 -0.000 0.000 0.302 392 R C -1.591 174.795 176.300 0.143 0.000 1.002 392 R CA -0.780 55.393 56.100 0.121 0.000 0.929 392 R CB 1.423 31.802 30.300 0.133 0.000 1.073 392 R HN 0.779 nan 8.270 nan 0.000 0.464 393 L N 3.833 125.122 121.223 0.111 0.000 2.301 393 L HA 0.281 4.621 4.340 -0.000 0.000 0.278 393 L C -0.109 176.822 176.870 0.101 0.000 1.022 393 L CA 0.053 54.978 54.840 0.143 0.000 0.854 393 L CB 1.508 43.646 42.059 0.130 0.000 1.226 393 L HN 0.610 nan 8.230 nan 0.000 0.429 394 E N 3.610 123.961 120.200 0.252 0.000 1.932 394 E HA 0.442 4.792 4.350 -0.000 0.000 0.275 394 E C 0.802 177.600 176.600 0.331 0.000 1.159 394 E CA 0.369 56.935 56.400 0.277 0.000 0.905 394 E CB 0.248 30.259 29.700 0.518 0.000 1.059 394 E HN 0.748 nan 8.360 nan 0.000 0.400 395 G N 4.280 113.120 108.800 0.066 0.000 2.641 395 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 395 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 395 G C -0.094 174.894 174.900 0.148 0.000 1.315 395 G CA 0.169 45.252 45.100 -0.028 0.000 0.907 395 G HN 1.002 nan 8.290 nan 0.000 0.572 396 H N -2.125 116.997 119.070 0.087 0.000 2.741 396 H HA -0.160 4.396 4.556 -0.000 0.000 0.305 396 H C 1.075 176.497 175.328 0.158 0.000 1.169 396 H CA 0.811 56.896 56.048 0.061 0.000 1.144 396 H CB -2.048 27.685 29.762 -0.049 0.000 1.397 396 H HN 0.754 nan 8.280 nan 0.000 0.409 397 I N 1.113 121.878 120.570 0.325 0.000 2.664 397 I HA -0.027 4.143 4.170 -0.000 0.000 0.284 397 I C 1.139 177.431 176.117 0.292 0.000 1.154 397 I CA 0.336 61.800 61.300 0.273 0.000 1.402 397 I CB 0.312 38.402 38.000 0.150 0.000 1.395 397 I HN 0.221 nan 8.210 nan 0.000 0.545 398 E N 7.789 128.087 120.200 0.164 0.000 2.408 398 E HA 0.187 4.537 4.350 -0.000 0.000 0.259 398 E C -2.053 174.653 176.600 0.177 0.000 1.110 398 E CA -1.424 55.006 56.400 0.049 0.000 0.929 398 E CB 0.223 29.648 29.700 -0.458 0.000 0.971 398 E HN 0.321 nan 8.360 nan 0.000 0.438 399 P HA -0.077 nan 4.420 nan 0.000 0.270 399 P C 0.361 177.692 177.300 0.052 0.000 1.221 399 P CA 0.051 63.070 63.100 -0.135 0.000 0.788 399 P CB 0.473 31.785 31.700 -0.646 0.000 0.904 400 D N 0.803 121.242 120.400 0.066 0.000 2.133 400 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 400 D C 1.542 177.964 176.300 0.202 0.000 0.997 400 D CA 1.595 55.702 54.000 0.178 0.000 0.840 400 D CB -0.297 40.598 40.800 0.158 0.000 0.947 400 D HN 0.489 nan 8.370 nan 0.000 0.452 401 E N -0.149 120.134 120.200 0.139 0.000 2.160 401 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 401 E C 1.793 178.570 176.600 0.296 0.000 0.991 401 E CA 0.390 56.937 56.400 0.246 0.000 0.810 401 E CB -0.414 29.514 29.700 0.379 0.000 0.742 401 E HN 0.358 nan 8.360 nan 0.000 0.466 402 F N -0.226 119.821 119.950 0.162 0.000 2.171 402 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 402 F C 1.490 177.129 175.800 -0.269 0.000 1.090 402 F CA 1.316 59.313 58.000 -0.005 0.000 1.293 402 F CB -0.052 38.881 39.000 -0.111 0.000 1.013 402 F HN -0.035 nan 8.300 nan 0.000 0.486 403 F N 0.522 120.460 119.950 -0.020 0.000 2.293 403 F HA -0.096 4.430 4.527 -0.000 0.000 0.297 403 F C 2.241 177.910 175.800 -0.218 0.000 1.089 403 F CA 1.018 58.838 58.000 -0.301 0.000 1.377 403 F CB -0.713 37.858 39.000 -0.716 0.000 1.051 403 F HN -0.071 nan 8.300 nan 0.000 0.511 404 D N 0.605 121.066 120.400 0.101 0.000 2.117 404 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 404 D C 2.391 178.739 176.300 0.080 0.000 0.987 404 D CA 1.439 55.554 54.000 0.192 0.000 0.829 404 D CB -0.365 40.555 40.800 0.199 0.000 0.961 404 D HN 0.253 nan 8.370 nan 0.000 0.460 405 I N 1.285 121.844 120.570 -0.018 0.000 2.202 405 I HA -0.225 3.944 4.170 -0.000 0.000 0.242 405 I C 2.573 178.618 176.117 -0.120 0.000 1.091 405 I CA 0.985 62.238 61.300 -0.077 0.000 1.368 405 I CB -0.247 37.676 38.000 -0.128 0.000 1.058 405 I HN -0.098 nan 8.210 nan 0.000 0.410 406 A N 0.706 123.366 122.820 -0.266 0.000 1.917 406 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 406 A C 1.939 179.586 177.584 0.105 0.000 1.182 406 A CA 2.331 54.260 52.037 -0.180 0.000 0.633 406 A CB -0.720 18.085 19.000 -0.325 0.000 0.819 406 A HN 0.372 nan 8.150 nan 0.000 0.448 407 D N 0.306 120.800 120.400 0.158 0.000 2.087 407 D HA -0.140 4.500 4.640 -0.000 0.000 0.192 407 D C 1.471 178.043 176.300 0.454 0.000 0.993 407 D CA 1.601 55.803 54.000 0.336 0.000 0.828 407 D CB -0.612 40.307 40.800 0.198 0.000 0.968 407 D HN 0.389 nan 8.370 nan 0.000 0.448 408 D N 0.088 120.620 120.400 0.220 0.000 2.158 408 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 408 D C 2.161 178.514 176.300 0.087 0.000 0.995 408 D CA 0.544 54.627 54.000 0.137 0.000 0.846 408 D CB -0.239 40.602 40.800 0.067 0.000 0.941 408 D HN 0.253 nan 8.370 nan 0.000 0.456 409 L N -0.916 120.347 121.223 0.068 0.000 2.446 409 L HA 0.159 4.499 4.340 -0.000 0.000 0.219 409 L C 1.392 178.266 176.870 0.007 0.000 1.116 409 L CA 0.456 55.305 54.840 0.014 0.000 0.844 409 L CB -0.088 41.959 42.059 -0.020 0.000 0.970 409 L HN 0.123 nan 8.230 nan 0.000 0.457 410 G N 0.790 109.646 108.800 0.093 0.000 2.182 410 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 410 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 410 G C 0.003 174.965 174.900 0.104 0.000 1.042 410 G CA 0.001 45.102 45.100 0.002 0.000 0.775 410 G HN 0.101 nan 8.290 nan 0.000 0.501 411 V N 1.608 121.612 119.914 0.150 0.000 2.432 411 V HA 0.483 4.603 4.120 -0.000 0.000 0.275 411 V C 1.178 177.372 176.094 0.166 0.000 1.043 411 V CA -0.638 61.716 62.300 0.090 0.000 0.925 411 V CB 1.399 33.212 31.823 -0.017 0.000 0.985 411 V HN 0.363 nan 8.190 nan 0.000 0.466 412 L N 4.978 126.296 121.223 0.159 0.000 2.417 412 L HA 0.498 4.838 4.340 -0.000 0.000 0.268 412 L C 0.618 177.550 176.870 0.104 0.000 1.158 412 L CA -0.004 54.933 54.840 0.161 0.000 0.819 412 L CB 1.017 43.146 42.059 0.117 0.000 1.112 412 L HN 0.793 nan 8.230 nan 0.000 0.458 413 T N 0.107 114.738 114.554 0.128 0.000 2.876 413 T HA 0.645 4.995 4.350 -0.000 0.000 0.289 413 T C -0.410 174.378 174.700 0.147 0.000 1.014 413 T CA -0.834 61.364 62.100 0.164 0.000 0.986 413 T CB 1.617 70.666 68.868 0.302 0.000 1.021 413 T HN 0.478 nan 8.240 nan 0.000 0.458 414 M N 4.203 123.874 119.600 0.119 0.000 2.325 414 M HA 0.316 4.796 4.480 -0.000 0.000 0.305 414 M C -2.457 173.853 176.300 0.017 0.000 1.047 414 M CA -1.992 53.357 55.300 0.081 0.000 0.981 414 M CB 1.297 33.936 32.600 0.066 0.000 1.307 414 M HN 0.472 nan 8.290 nan 0.000 0.418 415 P HA 0.580 nan 4.420 nan 0.000 0.274 415 P C -0.028 176.752 177.300 -0.867 0.000 1.246 415 P CA 0.157 63.093 63.100 -0.275 0.000 0.795 415 P CB 1.531 33.129 31.700 -0.170 0.000 1.006 416 G N -0.696 107.406 108.800 -1.163 0.000 2.322 416 G HA2 0.291 4.250 3.960 -0.000 0.000 0.295 416 G HA3 0.291 4.250 3.960 -0.000 0.000 0.295 416 G C -1.942 172.372 174.900 -0.977 0.000 1.369 416 G CA -1.003 43.090 45.100 -1.679 0.000 0.821 416 G HN 0.399 nan 8.290 nan 0.000 0.536 417 W N 1.021 121.965 121.300 -0.593 0.000 2.161 417 W HA 0.493 5.153 4.660 -0.000 0.000 0.344 417 W C 1.126 177.452 176.519 -0.323 0.000 1.262 417 W CA -0.523 56.483 57.345 -0.566 0.000 1.270 417 W CB 0.769 29.955 29.460 -0.456 0.000 1.126 417 W HN 0.691 nan 8.180 nan 0.000 0.598 418 E N 0.889 121.065 120.200 -0.039 0.000 2.250 418 E HA 0.442 4.792 4.350 -0.000 0.000 0.265 418 E C -0.042 176.642 176.600 0.139 0.000 1.033 418 E CA -0.904 55.523 56.400 0.045 0.000 0.888 418 E CB 1.197 30.876 29.700 -0.034 0.000 1.151 418 E HN 0.552 nan 8.360 nan 0.000 0.412 419 C N -0.656 118.727 119.300 0.138 0.000 2.411 419 C HA 0.527 4.987 4.460 -0.000 0.000 0.358 419 C C 0.940 176.012 174.990 0.137 0.000 1.349 419 C CA 0.016 59.130 59.018 0.161 0.000 2.326 419 C CB -0.328 27.489 27.740 0.129 0.000 2.166 419 C HN 1.040 nan 8.230 nan 0.000 0.609 420 C N 1.421 120.806 119.300 0.141 0.000 4.475 420 C HA -0.023 4.436 4.460 -0.000 0.000 0.280 420 C C -0.045 174.988 174.990 0.072 0.000 1.338 420 C CA 1.376 60.452 59.018 0.096 0.000 1.893 420 C CB -3.580 24.206 27.740 0.076 0.000 1.299 420 C HN 1.244 nan 8.230 nan 0.000 0.767 421 D N -1.713 118.747 120.400 0.099 0.000 3.557 421 D HA 0.360 5.000 4.640 -0.000 0.000 0.331 421 D C 0.577 176.927 176.300 0.084 0.000 1.442 421 D CA -0.020 54.021 54.000 0.069 0.000 0.971 421 D CB -0.085 40.741 40.800 0.043 0.000 1.423 421 D HN -0.152 nan 8.370 nan 0.000 0.604 422 K N -0.390 120.013 120.400 0.005 0.000 2.074 422 K HA -0.055 4.265 4.320 -0.000 0.000 0.209 422 K C 1.817 178.449 176.600 0.053 0.000 1.048 422 K CA 1.877 58.114 56.287 -0.083 0.000 0.926 422 K CB -0.697 31.599 32.500 -0.340 0.000 0.713 422 K HN 0.519 nan 8.250 nan 0.000 0.444 423 W N 1.101 122.461 121.300 0.100 0.000 2.325 423 W HA -0.147 4.513 4.660 -0.000 0.000 0.299 423 W C 1.523 178.195 176.519 0.255 0.000 1.215 423 W CA 1.596 59.048 57.345 0.179 0.000 1.244 423 W CB -0.059 29.424 29.460 0.039 0.000 1.140 423 W HN 0.221 nan 8.180 nan 0.000 0.523 424 E N -0.744 119.661 120.200 0.342 0.000 2.476 424 E HA 0.095 4.445 4.350 -0.000 0.000 0.196 424 E C 2.213 178.817 176.600 0.008 0.000 1.029 424 E CA 0.188 56.689 56.400 0.168 0.000 0.896 424 E CB 0.060 29.889 29.700 0.215 0.000 1.012 424 E HN 0.281 nan 8.360 nan 0.000 0.475 425 G N 1.560 110.411 108.800 0.085 0.000 2.450 425 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 425 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 425 G C 1.625 176.455 174.900 -0.116 0.000 1.130 425 G CA 0.673 45.789 45.100 0.026 0.000 0.760 425 G HN 0.144 nan 8.290 nan 0.000 0.557 426 Q N 0.200 119.787 119.800 -0.355 0.000 2.435 426 Q HA 0.056 4.396 4.340 -0.000 0.000 0.207 426 Q C 2.203 177.992 176.000 -0.352 0.000 0.956 426 Q CA 1.355 56.883 55.803 -0.459 0.000 0.917 426 Q CB 0.084 28.221 28.738 -1.002 0.000 0.997 426 Q HN 0.529 nan 8.270 nan 0.000 0.497 427 V N -2.623 117.083 119.914 -0.348 0.000 3.485 427 V HA 0.249 4.369 4.120 -0.000 0.000 0.280 427 V C 0.900 176.579 176.094 -0.692 0.000 1.495 427 V CA 0.472 62.561 62.300 -0.351 0.000 1.018 427 V CB -0.284 31.426 31.823 -0.188 0.000 0.818 427 V HN 0.351 nan 8.190 nan 0.000 0.436 428 N N 1.811 120.117 118.700 -0.657 0.000 2.322 428 N HA 0.325 5.065 4.740 -0.000 0.000 0.194 428 N C 1.159 176.247 175.510 -0.702 0.000 1.126 428 N CA 0.933 53.353 53.050 -1.051 0.000 0.845 428 N CB 0.412 38.656 38.487 -0.406 0.000 0.976 428 N HN 0.867 nan 8.380 nan 0.000 0.475 429 G N 1.493 110.018 108.800 -0.458 0.000 2.561 429 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.289 429 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.289 429 G C 0.462 175.279 174.900 -0.138 0.000 1.169 429 G CA 0.450 45.404 45.100 -0.243 0.000 0.980 429 G HN 0.283 nan 8.290 nan 0.000 0.550 430 E N 1.629 121.781 120.200 -0.079 0.000 2.481 430 E HA 0.141 4.491 4.350 -0.000 0.000 0.195 430 E C 1.287 177.870 176.600 -0.028 0.000 1.047 430 E CA 0.737 57.113 56.400 -0.041 0.000 0.867 430 E CB 0.026 29.717 29.700 -0.016 0.000 0.858 430 E HN 0.547 nan 8.360 nan 0.000 0.513 431 E N 1.667 121.848 120.200 -0.032 0.000 2.438 431 E HA -0.045 4.305 4.350 -0.000 0.000 0.261 431 E C -0.269 176.327 176.600 -0.006 0.000 1.103 431 E CA 0.022 56.420 56.400 -0.002 0.000 0.959 431 E CB 0.512 30.231 29.700 0.033 0.000 0.958 431 E HN -0.205 nan 8.360 nan 0.000 0.447 432 K N 1.407 121.814 120.400 0.012 0.000 2.518 432 K HA 0.342 4.662 4.320 -0.000 0.000 0.276 432 K C -0.030 176.577 176.600 0.011 0.000 0.974 432 K CA 1.125 57.418 56.287 0.011 0.000 0.986 432 K CB 0.059 32.571 32.500 0.020 0.000 0.901 432 K HN 0.775 nan 8.250 nan 0.000 0.497 433 G N 1.988 110.789 108.800 0.002 0.000 3.187 433 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.682 433 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.682 433 G C -1.167 173.734 174.900 0.003 0.000 1.266 433 G CA -0.963 44.142 45.100 0.007 0.000 0.902 433 G HN 0.527 nan 8.290 nan 0.000 0.589 434 E N 2.931 123.129 120.200 -0.002 0.000 2.313 434 E HA 0.429 4.779 4.350 -0.000 0.000 0.272 434 E C -2.091 174.552 176.600 0.072 0.000 1.038 434 E CA -1.668 54.735 56.400 0.005 0.000 0.863 434 E CB 1.288 30.972 29.700 -0.027 0.000 1.060 434 E HN 0.299 nan 8.360 nan 0.000 0.402 435 P HA -0.119 nan 4.420 nan 0.000 0.265 435 P C -0.997 176.424 177.300 0.201 0.000 1.187 435 P CA 0.268 63.420 63.100 0.086 0.000 0.766 435 P CB 0.334 32.052 31.700 0.030 0.000 0.820 436 W N 2.822 124.042 121.300 -0.135 0.000 2.218 436 W HA 0.324 4.984 4.660 -0.000 0.000 0.326 436 W C 0.129 176.627 176.519 -0.035 0.000 1.276 436 W CA -0.313 56.919 57.345 -0.188 0.000 1.210 436 W CB -0.153 29.032 29.460 -0.458 0.000 1.143 436 W HN 0.118 nan 8.180 nan 0.000 0.563 437 V N 0.311 120.302 119.914 0.129 0.000 3.093 437 V HA 0.426 4.546 4.120 -0.000 0.000 0.320 437 V C 1.036 177.258 176.094 0.214 0.000 1.093 437 V CA -0.755 61.624 62.300 0.132 0.000 1.016 437 V CB 1.636 33.473 31.823 0.023 0.000 1.096 437 V HN 0.557 nan 8.190 nan 0.000 0.452 438 E N 1.508 121.812 120.200 0.173 0.000 2.171 438 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 438 E C 2.256 178.955 176.600 0.165 0.000 0.997 438 E CA 1.964 58.475 56.400 0.186 0.000 0.810 438 E CB -0.362 29.365 29.700 0.044 0.000 0.738 438 E HN 1.025 nan 8.360 nan 0.000 0.467 439 S N 0.568 116.291 115.700 0.038 0.000 2.481 439 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 439 S C 1.369 175.892 174.600 -0.128 0.000 0.996 439 S CA 0.706 58.881 58.200 -0.041 0.000 0.942 439 S CB 0.068 63.219 63.200 -0.082 0.000 0.768 439 S HN 0.050 nan 8.310 nan 0.000 0.520 440 D N 0.860 121.134 120.400 -0.209 0.000 2.183 440 D HA -0.018 4.622 4.640 -0.000 0.000 0.203 440 D C 1.447 177.403 176.300 -0.575 0.000 0.969 440 D CA 1.033 54.670 54.000 -0.604 0.000 0.842 440 D CB -0.349 39.832 40.800 -1.031 0.000 0.957 440 D HN 0.506 nan 8.370 nan 0.000 0.484 441 Y N 0.684 120.896 120.300 -0.147 0.000 2.145 441 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 441 Y C -0.382 175.497 175.900 -0.035 0.000 1.145 441 Y CA 1.133 59.246 58.100 0.022 0.000 1.148 441 Y CB -1.589 36.926 38.460 0.092 0.000 0.981 441 Y HN 0.150 nan 8.280 nan 0.000 0.507 442 P HA -0.117 nan 4.420 nan 0.000 0.219 442 P C 1.326 178.615 177.300 -0.019 0.000 1.150 442 P CA 1.510 64.628 63.100 0.030 0.000 0.814 442 P CB -0.060 31.646 31.700 0.009 0.000 0.787 443 I N -0.358 120.148 120.570 -0.108 0.000 2.179 443 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 443 I C 2.376 178.418 176.117 -0.124 0.000 1.088 443 I CA 1.503 62.717 61.300 -0.144 0.000 1.357 443 I CB -0.852 36.989 38.000 -0.265 0.000 1.051 443 I HN -0.089 nan 8.210 nan 0.000 0.409 444 A N 0.873 123.562 122.820 -0.218 0.000 1.902 444 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 444 A C 2.397 180.168 177.584 0.312 0.000 1.181 444 A CA 2.068 54.088 52.037 -0.029 0.000 0.623 444 A CB -0.542 18.426 19.000 -0.053 0.000 0.818 444 A HN 0.410 nan 8.150 nan 0.000 0.443 445 K N -0.301 120.233 120.400 0.223 0.000 2.057 445 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 445 K C 2.088 178.838 176.600 0.250 0.000 1.050 445 K CA 1.241 57.692 56.287 0.272 0.000 0.935 445 K CB -0.353 32.245 32.500 0.163 0.000 0.715 445 K HN 0.307 nan 8.250 nan 0.000 0.439 446 A N 0.796 123.712 122.820 0.160 0.000 1.930 446 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 446 A C 2.152 179.858 177.584 0.203 0.000 1.175 446 A CA 1.846 53.972 52.037 0.148 0.000 0.627 446 A CB -0.644 18.385 19.000 0.049 0.000 0.815 446 A HN 0.399 nan 8.150 nan 0.000 0.443 447 S N -0.682 115.150 115.700 0.221 0.000 2.359 447 S HA -0.278 4.192 4.470 -0.000 0.000 0.223 447 S C 2.013 176.822 174.600 0.348 0.000 1.039 447 S CA 2.118 60.513 58.200 0.324 0.000 1.042 447 S CB -0.403 63.035 63.200 0.396 0.000 0.915 447 S HN 0.589 nan 8.310 nan 0.000 0.439 448 M N 0.816 120.647 119.600 0.386 0.000 2.117 448 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 448 M C 1.738 178.002 176.300 -0.060 0.000 1.065 448 M CA 1.424 56.826 55.300 0.170 0.000 1.114 448 M CB -0.692 32.082 32.600 0.290 0.000 1.361 448 M HN 0.326 nan 8.290 nan 0.000 0.408 449 F N -0.164 119.773 119.950 -0.021 0.000 2.134 449 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 449 F C 2.135 177.870 175.800 -0.108 0.000 1.097 449 F CA 2.075 60.029 58.000 -0.077 0.000 1.264 449 F CB -0.603 38.375 39.000 -0.036 0.000 1.001 449 F HN 0.158 nan 8.300 nan 0.000 0.479 450 S N 0.080 115.763 115.700 -0.029 0.000 2.368 450 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 450 S C 1.843 176.322 174.600 -0.203 0.000 1.029 450 S CA 1.203 59.342 58.200 -0.102 0.000 0.988 450 S CB -0.337 62.887 63.200 0.040 0.000 0.838 450 S HN 0.394 nan 8.310 nan 0.000 0.462 451 E N 1.626 121.711 120.200 -0.192 0.000 2.072 451 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 451 E C 2.369 178.681 176.600 -0.481 0.000 0.985 451 E CA 1.085 57.305 56.400 -0.301 0.000 0.801 451 E CB -0.553 28.914 29.700 -0.388 0.000 0.750 451 E HN 0.460 nan 8.360 nan 0.000 0.452 452 A N 1.530 123.957 122.820 -0.656 0.000 1.902 452 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 452 A C 2.153 179.504 177.584 -0.387 0.000 1.181 452 A CA 1.915 53.555 52.037 -0.661 0.000 0.623 452 A CB -0.556 18.025 19.000 -0.698 0.000 0.818 452 A HN 0.366 nan 8.150 nan 0.000 0.443 453 E N -0.386 119.476 120.200 -0.563 0.000 2.110 453 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 453 E C 2.232 178.672 176.600 -0.267 0.000 0.988 453 E CA 1.167 57.268 56.400 -0.498 0.000 0.804 453 E CB -0.201 29.087 29.700 -0.687 0.000 0.745 453 E HN 0.584 nan 8.360 nan 0.000 0.458 454 R N -0.190 120.181 120.500 -0.216 0.000 2.096 454 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 454 R C 2.307 178.580 176.300 -0.046 0.000 1.127 454 R CA 1.311 57.347 56.100 -0.106 0.000 0.968 454 R CB 0.026 30.263 30.300 -0.106 0.000 0.861 454 R HN 0.286 nan 8.270 nan 0.000 0.440 455 L N -0.052 121.115 121.223 -0.093 0.000 2.556 455 L HA 0.104 4.444 4.340 -0.000 0.000 0.226 455 L C 2.164 179.077 176.870 0.072 0.000 1.089 455 L CA 0.028 54.845 54.840 -0.037 0.000 0.864 455 L CB -0.099 41.877 42.059 -0.139 0.000 1.067 455 L HN 0.137 nan 8.230 nan 0.000 0.477 456 R N -0.271 120.261 120.500 0.053 0.000 2.159 456 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 456 R C 0.298 176.524 176.300 -0.123 0.000 1.131 456 R CA 1.604 57.676 56.100 -0.045 0.000 0.982 456 R CB -0.423 29.836 30.300 -0.067 0.000 0.868 456 R HN 0.189 nan 8.270 nan 0.000 0.453 457 D N -0.147 120.183 120.400 -0.116 0.000 2.402 457 D HA 0.111 4.751 4.640 -0.000 0.000 0.216 457 D C -0.585 175.565 176.300 -0.251 0.000 1.128 457 D CA 0.032 53.947 54.000 -0.141 0.000 0.833 457 D CB 0.219 40.957 40.800 -0.105 0.000 0.971 457 D HN 0.253 nan 8.370 nan 0.000 0.503 458 H N 1.035 120.036 119.070 -0.114 0.000 2.640 458 H HA 0.145 4.701 4.556 -0.000 0.000 0.297 458 H C -1.465 173.691 175.328 -0.288 0.000 1.073 458 H CA -1.532 54.428 56.048 -0.147 0.000 1.305 458 H CB 1.672 31.402 29.762 -0.055 0.000 1.404 458 H HN -0.026 nan 8.280 nan 0.000 0.459 459 P HA -0.149 nan 4.420 nan 0.000 0.225 459 P C 1.445 178.159 177.300 -0.977 0.000 1.148 459 P CA 0.853 63.440 63.100 -0.855 0.000 0.779 459 P CB 0.309 31.087 31.700 -1.538 0.000 0.780 460 S N -0.876 114.456 115.700 -0.614 0.000 2.423 460 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 460 S C 1.086 175.693 174.600 0.012 0.000 1.014 460 S CA 0.292 58.389 58.200 -0.172 0.000 0.965 460 S CB -1.489 61.762 63.200 0.085 0.000 0.785 460 S HN -0.060 nan 8.310 nan 0.000 0.495 461 V N 3.766 123.697 119.914 0.029 0.000 2.485 461 V HA 0.160 4.279 4.120 -0.000 0.000 0.287 461 V C 1.225 177.348 176.094 0.048 0.000 1.022 461 V CA 0.231 62.588 62.300 0.094 0.000 1.067 461 V CB 0.316 32.194 31.823 0.091 0.000 0.967 461 V HN 0.639 nan 8.190 nan 0.000 0.479 462 I N 2.041 122.671 120.570 0.099 0.000 4.139 462 I HA 0.421 4.591 4.170 -0.000 0.000 0.335 462 I C 0.593 176.856 176.117 0.242 0.000 1.327 462 I CA 0.101 61.482 61.300 0.135 0.000 1.112 462 I CB 0.515 38.570 38.000 0.091 0.000 1.058 462 I HN 0.655 nan 8.210 nan 0.000 0.396 463 S N -0.128 115.711 115.700 0.231 0.000 2.645 463 S HA 0.531 5.001 4.470 -0.000 0.000 0.268 463 S C -1.493 173.284 174.600 0.294 0.000 1.110 463 S CA -0.744 57.612 58.200 0.260 0.000 0.823 463 S CB 1.499 64.863 63.200 0.274 0.000 1.091 463 S HN 0.194 nan 8.310 nan 0.000 0.466 464 F N 1.670 121.669 119.950 0.082 0.000 2.518 464 F HA 0.494 5.021 4.527 -0.000 0.000 0.323 464 F C -0.096 175.566 175.800 -0.230 0.000 1.129 464 F CA -0.394 57.522 58.000 -0.140 0.000 0.920 464 F CB 1.534 40.287 39.000 -0.412 0.000 1.160 464 F HN 0.758 nan 8.300 nan 0.000 0.440 465 H N 7.814 126.540 119.070 -0.573 0.000 2.782 465 H HA 0.223 4.779 4.556 -0.000 0.000 0.285 465 H C 1.164 176.285 175.328 -0.345 0.000 1.093 465 H CA 0.271 56.104 56.048 -0.359 0.000 1.410 465 H CB 1.156 30.722 29.762 -0.327 0.000 1.439 465 H HN 0.758 nan 8.280 nan 0.000 0.469 466 I N 0.499 121.084 120.570 0.026 0.000 3.564 466 I HA 0.282 4.452 4.170 -0.000 0.000 0.294 466 I C 0.864 177.198 176.117 0.361 0.000 1.289 466 I CA 0.018 61.416 61.300 0.164 0.000 1.325 466 I CB 0.482 38.643 38.000 0.268 0.000 1.039 466 I HN 0.319 nan 8.210 nan 0.000 0.474 467 G N -0.399 108.551 108.800 0.250 0.000 2.677 467 G HA2 0.458 4.418 3.960 -0.000 0.000 0.291 467 G HA3 0.458 4.418 3.960 -0.000 0.000 0.291 467 G C -0.672 174.349 174.900 0.202 0.000 1.435 467 G CA 0.239 45.503 45.100 0.274 0.000 0.826 467 G HN -0.029 nan 8.290 nan 0.000 0.491 468 S N -1.026 114.776 115.700 0.170 0.000 3.386 468 S HA 0.162 4.632 4.470 -0.000 0.000 0.181 468 S C 1.441 176.057 174.600 0.025 0.000 0.763 468 S CA 1.306 59.555 58.200 0.083 0.000 0.847 468 S CB -0.353 62.890 63.200 0.072 0.000 0.980 468 S HN 0.550 nan 8.310 nan 0.000 0.676 469 D N 1.050 121.458 120.400 0.013 0.000 2.498 469 D HA -0.117 4.522 4.640 -0.000 0.000 0.250 469 D C -0.010 176.205 176.300 -0.141 0.000 1.304 469 D CA 1.505 55.468 54.000 -0.062 0.000 1.093 469 D CB -0.550 40.227 40.800 -0.038 0.000 1.746 469 D HN 0.326 nan 8.370 nan 0.000 0.594 470 F N 0.174 120.149 119.950 0.042 0.000 2.456 470 F HA 0.432 4.959 4.527 -0.000 0.000 0.358 470 F C 0.948 176.789 175.800 0.068 0.000 1.095 470 F CA -0.608 57.416 58.000 0.039 0.000 1.216 470 F CB 0.808 39.819 39.000 0.018 0.000 1.125 470 F HN 0.045 nan 8.300 nan 0.000 0.549 471 A N 5.255 128.193 122.820 0.198 0.000 2.366 471 A HA 0.519 4.838 4.320 -0.000 0.000 0.249 471 A C -2.266 175.423 177.584 0.175 0.000 1.084 471 A CA -1.372 50.767 52.037 0.170 0.000 0.794 471 A CB -0.340 18.728 19.000 0.113 0.000 1.034 471 A HN 0.458 nan 8.150 nan 0.000 0.491 472 P HA 0.225 nan 4.420 nan 0.000 0.274 472 P C -0.747 176.572 177.300 0.032 0.000 1.246 472 P CA -0.337 62.819 63.100 0.094 0.000 0.795 472 P CB 0.375 32.169 31.700 0.157 0.000 1.006 473 D N -0.477 119.893 120.400 -0.050 0.000 2.433 473 D HA 0.104 4.744 4.640 -0.000 0.000 0.255 473 D C 1.300 177.584 176.300 -0.028 0.000 1.226 473 D CA -0.460 53.516 54.000 -0.040 0.000 1.015 473 D CB 0.332 41.086 40.800 -0.077 0.000 1.091 473 D HN 0.273 nan 8.370 nan 0.000 0.527 474 R N -0.572 119.917 120.500 -0.018 0.000 2.091 474 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 474 R C 2.316 178.605 176.300 -0.018 0.000 1.136 474 R CA 1.434 57.528 56.100 -0.010 0.000 0.959 474 R CB -0.109 30.185 30.300 -0.010 0.000 0.856 474 R HN 0.533 nan 8.270 nan 0.000 0.437 475 R N 0.357 120.840 120.500 -0.028 0.000 2.073 475 R HA -0.099 4.240 4.340 -0.000 0.000 0.234 475 R C 2.251 178.544 176.300 -0.012 0.000 1.134 475 R CA 1.921 58.009 56.100 -0.021 0.000 0.952 475 R CB -0.269 30.014 30.300 -0.029 0.000 0.850 475 R HN 0.290 nan 8.270 nan 0.000 0.433 476 I N 0.397 120.930 120.570 -0.061 0.000 2.252 476 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 476 I C 2.548 178.488 176.117 -0.295 0.000 1.102 476 I CA 1.361 62.521 61.300 -0.234 0.000 1.385 476 I CB -0.420 37.322 38.000 -0.430 0.000 1.064 476 I HN 0.398 nan 8.210 nan 0.000 0.414 477 E N 0.823 120.970 120.200 -0.088 0.000 2.047 477 E HA -0.308 4.042 4.350 -0.000 0.000 0.191 477 E C 2.194 178.830 176.600 0.061 0.000 0.987 477 E CA 1.290 57.721 56.400 0.052 0.000 0.799 477 E CB 0.053 29.804 29.700 0.085 0.000 0.752 477 E HN 0.301 nan 8.360 nan 0.000 0.449 478 Q N 0.210 120.023 119.800 0.023 0.000 2.096 478 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 478 Q C 1.957 177.983 176.000 0.044 0.000 0.982 478 Q CA 2.131 57.955 55.803 0.034 0.000 0.850 478 Q CB -0.871 27.875 28.738 0.014 0.000 0.901 478 Q HN 0.375 nan 8.270 nan 0.000 0.422 479 G N -0.841 107.963 108.800 0.006 0.000 2.491 479 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.218 479 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.218 479 G C 0.941 175.920 174.900 0.131 0.000 1.180 479 G CA 1.209 46.326 45.100 0.028 0.000 0.774 479 G HN 0.404 nan 8.290 nan 0.000 0.562 480 Y N 0.664 121.055 120.300 0.152 0.000 2.200 480 Y HA 0.079 4.629 4.550 -0.000 0.000 0.290 480 Y C 2.853 178.790 175.900 0.062 0.000 1.137 480 Y CA 0.242 58.423 58.100 0.136 0.000 1.163 480 Y CB -0.827 37.751 38.460 0.196 0.000 0.988 480 Y HN 0.082 nan 8.280 nan 0.000 0.518 481 L N -0.477 120.880 121.223 0.223 0.000 2.046 481 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 481 L C 1.941 178.877 176.870 0.111 0.000 1.077 481 L CA 1.442 56.363 54.840 0.136 0.000 0.747 481 L CB -0.499 41.624 42.059 0.106 0.000 0.896 481 L HN 0.109 nan 8.230 nan 0.000 0.432 482 D N 0.208 120.674 120.400 0.110 0.000 2.117 482 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 482 D C 2.259 178.632 176.300 0.122 0.000 0.982 482 D CA 1.413 55.469 54.000 0.093 0.000 0.828 482 D CB -0.051 40.791 40.800 0.071 0.000 0.967 482 D HN 0.275 nan 8.370 nan 0.000 0.464 483 A N 0.630 123.546 122.820 0.160 0.000 1.883 483 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 483 A C 2.261 179.952 177.584 0.178 0.000 1.186 483 A CA 1.467 53.641 52.037 0.228 0.000 0.624 483 A CB -0.583 18.568 19.000 0.252 0.000 0.822 483 A HN 0.156 nan 8.150 nan 0.000 0.444 484 M N -1.057 118.580 119.600 0.061 0.000 2.175 484 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 484 M C 2.285 178.642 176.300 0.096 0.000 1.063 484 M CA 1.741 57.049 55.300 0.013 0.000 1.119 484 M CB -0.242 32.352 32.600 -0.010 0.000 1.377 484 M HN 0.427 nan 8.290 nan 0.000 0.415 485 K N 0.604 121.065 120.400 0.102 0.000 2.026 485 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 485 K C 1.954 178.620 176.600 0.110 0.000 1.048 485 K CA 1.611 57.954 56.287 0.093 0.000 0.929 485 K CB -0.130 32.416 32.500 0.077 0.000 0.713 485 K HN 0.294 nan 8.250 nan 0.000 0.439 486 A N 0.769 123.679 122.820 0.150 0.000 1.978 486 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 486 A C 2.076 179.834 177.584 0.290 0.000 1.170 486 A CA 1.855 54.014 52.037 0.202 0.000 0.636 486 A CB -0.476 18.635 19.000 0.185 0.000 0.810 486 A HN 0.456 nan 8.150 nan 0.000 0.448 487 A N -1.206 121.735 122.820 0.201 0.000 2.251 487 A HA 0.248 4.568 4.320 -0.000 0.000 0.209 487 A C 0.451 177.964 177.584 -0.119 0.000 1.187 487 A CA 0.744 52.727 52.037 -0.089 0.000 0.823 487 A CB -0.219 18.521 19.000 -0.432 0.000 0.846 487 A HN 0.443 nan 8.150 nan 0.000 0.486 488 D N -1.978 118.435 120.400 0.021 0.000 2.811 488 D HA -0.209 4.431 4.640 -0.000 0.000 0.231 488 D C -0.285 176.015 176.300 0.000 0.000 1.157 488 D CA 0.828 54.850 54.000 0.037 0.000 0.716 488 D CB -1.750 39.125 40.800 0.126 0.000 1.077 488 D HN 0.541 nan 8.370 nan 0.000 0.428 489 F N 0.731 120.601 119.950 -0.133 0.000 2.466 489 F HA 0.234 4.761 4.527 -0.000 0.000 0.363 489 F C 1.108 176.852 175.800 -0.093 0.000 1.109 489 F CA -0.200 57.710 58.000 -0.150 0.000 1.161 489 F CB 0.330 39.200 39.000 -0.217 0.000 1.117 489 F HN -0.028 nan 8.300 nan 0.000 0.539 490 L N 6.853 127.820 121.223 -0.427 0.000 2.857 490 L HA 0.257 4.597 4.340 -0.000 0.000 0.249 490 L C -0.066 176.609 176.870 -0.325 0.000 1.172 490 L CA -0.122 54.564 54.840 -0.255 0.000 0.980 490 L CB -0.229 41.729 42.059 -0.169 0.000 1.299 490 L HN 0.489 nan 8.230 nan 0.000 0.535 491 L N 0.234 121.069 121.223 -0.646 0.000 2.439 491 L HA 0.334 4.674 4.340 -0.000 0.000 0.259 491 L C -1.930 174.895 176.870 -0.075 0.000 1.129 491 L CA -1.862 52.741 54.840 -0.395 0.000 0.803 491 L CB 0.115 41.850 42.059 -0.541 0.000 1.161 491 L HN -0.189 nan 8.230 nan 0.000 0.462 492 P HA 0.009 nan 4.420 nan 0.000 0.264 492 P C -1.006 176.339 177.300 0.075 0.000 1.193 492 P CA -0.016 63.089 63.100 0.009 0.000 0.763 492 P CB 0.448 32.119 31.700 -0.049 0.000 0.810 493 V N 5.755 125.694 119.914 0.041 0.000 2.370 493 V HA 0.298 4.418 4.120 -0.000 0.000 0.279 493 V C 0.447 176.490 176.094 -0.084 0.000 1.029 493 V CA -0.291 62.030 62.300 0.035 0.000 0.870 493 V CB 0.901 32.766 31.823 0.070 0.000 0.984 493 V HN 0.359 nan 8.190 nan 0.000 0.451 494 I N 8.058 128.498 120.570 -0.216 0.000 2.339 494 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 494 I C -1.281 174.697 176.117 -0.231 0.000 0.994 494 I CA -1.744 59.345 61.300 -0.352 0.000 1.191 494 I CB 2.323 39.882 38.000 -0.735 0.000 1.343 494 I HN 0.432 nan 8.210 nan 0.000 0.458 495 P HA -0.038 nan 4.420 nan 0.000 0.218 495 P C 0.146 177.491 177.300 0.075 0.000 1.149 495 P CA 0.947 64.061 63.100 0.023 0.000 0.817 495 P CB 0.521 32.239 31.700 0.030 0.000 0.785 496 A N -1.764 121.100 122.820 0.074 0.000 2.601 496 A HA 0.644 4.963 4.320 -0.000 0.000 0.291 496 A C 0.437 178.151 177.584 0.216 0.000 1.075 496 A CA 0.032 52.155 52.037 0.144 0.000 0.671 496 A CB 0.519 19.557 19.000 0.064 0.000 1.277 496 A HN -0.067 nan 8.150 nan 0.000 0.417 497 A N 0.141 123.047 122.820 0.144 0.000 2.147 497 A HA 0.445 4.765 4.320 -0.000 0.000 0.211 497 A C 1.437 179.019 177.584 -0.005 0.000 1.160 497 A CA 1.361 53.416 52.037 0.029 0.000 0.781 497 A CB -0.655 18.225 19.000 -0.200 0.000 0.842 497 A HN 1.958 nan 8.150 nan 0.000 0.475 498 S N -0.893 114.796 115.700 -0.019 0.000 2.661 498 S HA 0.537 5.007 4.470 -0.000 0.000 0.265 498 S C 1.085 175.679 174.600 -0.009 0.000 1.225 498 S CA 0.041 58.221 58.200 -0.034 0.000 0.986 498 S CB 1.119 64.263 63.200 -0.094 0.000 1.008 498 S HN 0.857 nan 8.310 nan 0.000 0.565 499 A N -0.119 122.696 122.820 -0.008 0.000 2.238 499 A HA 0.212 4.532 4.320 -0.000 0.000 0.208 499 A C 0.978 178.563 177.584 0.001 0.000 1.177 499 A CA -0.193 51.854 52.037 0.016 0.000 0.804 499 A CB -0.586 18.440 19.000 0.043 0.000 0.823 499 A HN 0.740 nan 8.150 nan 0.000 0.482 500 R N 1.329 121.811 120.500 -0.031 0.000 2.449 500 R HA 0.208 4.548 4.340 -0.000 0.000 0.296 500 R C -2.472 173.834 176.300 0.010 0.000 1.047 500 R CA -1.194 54.890 56.100 -0.028 0.000 1.018 500 R CB 0.264 30.511 30.300 -0.089 0.000 0.962 500 R HN 0.285 nan 8.270 nan 0.000 0.428 501 P HA 0.084 nan 4.420 nan 0.000 0.279 501 P C -0.852 176.475 177.300 0.045 0.000 1.252 501 P CA -0.590 62.528 63.100 0.029 0.000 0.811 501 P CB 1.475 33.190 31.700 0.026 0.000 1.035 502 S N 0.427 116.155 115.700 0.046 0.000 2.651 502 S HA 0.486 4.956 4.470 -0.000 0.000 0.291 502 S C -1.890 172.734 174.600 0.041 0.000 1.141 502 S CA -1.417 56.816 58.200 0.055 0.000 1.027 502 S CB 0.811 64.053 63.200 0.071 0.000 1.043 502 S HN 0.199 nan 8.310 nan 0.000 0.530 503 P HA -0.004 nan 4.420 nan 0.000 0.216 503 P C 0.970 178.285 177.300 0.025 0.000 1.150 503 P CA 1.083 64.199 63.100 0.026 0.000 0.837 503 P CB -0.016 31.696 31.700 0.020 0.000 0.786 504 I N -2.024 118.565 120.570 0.032 0.000 2.681 504 I HA -0.078 4.092 4.170 -0.000 0.000 0.247 504 I C 2.034 178.168 176.117 0.028 0.000 1.091 504 I CA 1.136 62.454 61.300 0.029 0.000 1.442 504 I CB -1.190 36.831 38.000 0.035 0.000 1.219 504 I HN -0.168 nan 8.210 nan 0.000 0.451 505 T N 0.528 115.102 114.554 0.035 0.000 2.788 505 T HA 0.115 4.464 4.350 -0.000 0.000 0.268 505 T C 1.000 175.708 174.700 0.012 0.000 1.044 505 T CA 1.204 63.318 62.100 0.024 0.000 1.139 505 T CB -0.396 68.489 68.868 0.029 0.000 0.867 505 T HN 0.685 nan 8.240 nan 0.000 0.454 506 G N 0.791 109.601 108.800 0.017 0.000 2.451 506 G HA2 0.201 4.160 3.960 -0.000 0.000 0.208 506 G HA3 0.201 4.160 3.960 -0.000 0.000 0.208 506 G C -0.159 174.746 174.900 0.009 0.000 1.248 506 G CA -0.452 44.655 45.100 0.012 0.000 0.989 506 G HN 0.774 nan 8.290 nan 0.000 0.559 507 A N -0.138 122.685 122.820 0.006 0.000 2.531 507 A HA 0.574 4.894 4.320 -0.000 0.000 0.236 507 A C 1.840 179.421 177.584 -0.006 0.000 1.062 507 A CA 1.528 53.569 52.037 0.008 0.000 0.760 507 A CB 0.241 19.249 19.000 0.013 0.000 0.995 507 A HN 2.368 nan 8.150 nan 0.000 0.501 508 S N 2.129 117.828 115.700 -0.002 0.000 2.414 508 S HA 0.255 4.725 4.470 -0.000 0.000 0.227 508 S C 1.537 176.116 174.600 -0.035 0.000 1.022 508 S CA 0.996 59.181 58.200 -0.024 0.000 0.958 508 S CB -0.599 62.599 63.200 -0.002 0.000 0.797 508 S HN 2.602 nan 8.310 nan 0.000 0.493 509 G N 1.415 110.220 108.800 0.008 0.000 2.179 509 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.257 509 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.257 509 G C -0.060 174.889 174.900 0.081 0.000 1.010 509 G CA 0.926 46.052 45.100 0.043 0.000 0.736 509 G HN 0.550 nan 8.290 nan 0.000 0.513 510 M N -1.262 118.377 119.600 0.066 0.000 2.719 510 M HA 0.635 5.114 4.480 -0.000 0.000 0.291 510 M C -0.183 176.158 176.300 0.068 0.000 1.264 510 M CA -0.933 54.426 55.300 0.099 0.000 0.811 510 M CB 2.537 35.160 32.600 0.038 0.000 1.756 510 M HN 0.289 nan 8.290 nan 0.000 0.464 511 K N 0.593 121.019 120.400 0.045 0.000 2.498 511 K HA 0.707 5.026 4.320 -0.000 0.000 0.254 511 K C -1.722 174.861 176.600 -0.029 0.000 0.933 511 K CA -0.725 55.553 56.287 -0.014 0.000 0.806 511 K CB 2.444 34.883 32.500 -0.103 0.000 1.301 511 K HN 0.745 nan 8.250 nan 0.000 0.432 512 M N 3.329 122.920 119.600 -0.015 0.000 2.182 512 M HA 0.236 4.716 4.480 -0.000 0.000 0.285 512 M C -0.443 175.912 176.300 0.091 0.000 0.956 512 M CA -0.574 54.733 55.300 0.012 0.000 0.878 512 M CB 0.917 33.525 32.600 0.014 0.000 1.373 512 M HN 0.611 nan 8.290 nan 0.000 0.393 513 N N 1.410 120.148 118.700 0.063 0.000 2.270 513 N HA 0.221 4.961 4.740 -0.000 0.000 0.198 513 N C 0.727 176.355 175.510 0.197 0.000 1.117 513 N CA 0.530 53.660 53.050 0.133 0.000 0.845 513 N CB 0.745 39.283 38.487 0.085 0.000 0.980 513 N HN 0.862 nan 8.380 nan 0.000 0.486 514 G N 1.341 110.236 108.800 0.159 0.000 2.760 514 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.246 514 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.246 514 G C -2.943 171.889 174.900 -0.114 0.000 1.359 514 G CA -0.826 44.277 45.100 0.005 0.000 0.861 514 G HN 0.095 nan 8.290 nan 0.000 0.541 515 P HA 0.512 nan 4.420 nan 0.000 0.278 515 P C -0.607 176.367 177.300 -0.543 0.000 1.266 515 P CA -0.130 62.802 63.100 -0.280 0.000 0.807 515 P CB 0.666 32.110 31.700 -0.427 0.000 1.094 516 Y N -2.198 118.168 120.300 0.110 0.000 2.610 516 Y HA 0.330 4.880 4.550 -0.000 0.000 0.254 516 Y C 0.632 176.769 175.900 0.395 0.000 1.110 516 Y CA -0.053 58.118 58.100 0.119 0.000 1.238 516 Y CB 0.889 39.343 38.460 -0.009 0.000 1.322 516 Y HN 0.241 nan 8.280 nan 0.000 0.547 517 D N -1.797 118.873 120.400 0.451 0.000 2.744 517 D HA 0.100 4.740 4.640 -0.000 0.000 0.304 517 D C -1.312 175.161 176.300 0.288 0.000 1.179 517 D CA -0.835 53.444 54.000 0.465 0.000 1.024 517 D CB 1.483 42.643 40.800 0.599 0.000 1.453 517 D HN -0.145 nan 8.370 nan 0.000 0.529 518 Y N 1.398 121.843 120.300 0.242 0.000 2.632 518 Y HA 0.278 4.828 4.550 -0.000 0.000 0.329 518 Y C -0.095 175.842 175.900 0.062 0.000 1.174 518 Y CA 0.502 58.724 58.100 0.202 0.000 1.469 518 Y CB 0.139 38.757 38.460 0.264 0.000 1.242 518 Y HN 0.084 nan 8.280 nan 0.000 0.540 519 V N 5.818 125.211 119.914 -0.868 0.000 2.925 519 V HA 0.709 4.829 4.120 -0.000 0.000 0.311 519 V C -2.886 172.606 176.094 -1.003 0.000 1.104 519 V CA -2.673 59.125 62.300 -0.837 0.000 0.954 519 V CB 1.925 33.003 31.823 -1.243 0.000 1.022 519 V HN 0.648 nan 8.190 nan 0.000 0.427 520 P HA 0.371 nan 4.420 nan 0.000 0.276 520 P C -2.449 174.787 177.300 -0.108 0.000 1.244 520 P CA -1.700 61.310 63.100 -0.149 0.000 0.801 520 P CB 0.878 32.562 31.700 -0.027 0.000 1.006 521 P HA -0.167 nan 4.420 nan 0.000 0.216 521 P C 1.685 179.090 177.300 0.175 0.000 1.150 521 P CA 0.971 64.119 63.100 0.079 0.000 0.843 521 P CB -0.142 31.381 31.700 -0.296 0.000 0.787 522 V N -1.339 118.621 119.914 0.078 0.000 2.720 522 V HA -0.251 3.869 4.120 -0.000 0.000 0.256 522 V C 2.118 178.366 176.094 0.256 0.000 1.082 522 V CA 1.426 63.866 62.300 0.234 0.000 1.101 522 V CB -1.254 30.642 31.823 0.122 0.000 0.693 522 V HN 0.095 nan 8.190 nan 0.000 0.479 523 Y N -0.518 119.731 120.300 -0.086 0.000 2.193 523 Y HA -0.296 4.254 4.550 -0.000 0.000 0.285 523 Y C 1.930 177.773 175.900 -0.094 0.000 1.166 523 Y CA 2.256 60.244 58.100 -0.188 0.000 1.181 523 Y CB -0.357 37.765 38.460 -0.564 0.000 0.976 523 Y HN 0.423 nan 8.280 nan 0.000 0.520 524 W N -1.409 120.080 121.300 0.315 0.000 2.425 524 W HA -0.174 4.486 4.660 -0.000 0.000 0.277 524 W C 1.429 177.873 176.519 -0.125 0.000 1.231 524 W CA 0.672 58.080 57.345 0.106 0.000 1.248 524 W CB -0.480 28.993 29.460 0.021 0.000 1.117 524 W HN 0.085 nan 8.180 nan 0.000 0.568 525 Y N 0.043 120.496 120.300 0.255 0.000 2.529 525 Y HA -0.018 4.532 4.550 -0.000 0.000 0.290 525 Y C 0.812 176.759 175.900 0.078 0.000 1.177 525 Y CA 0.280 58.470 58.100 0.149 0.000 1.305 525 Y CB -0.634 37.912 38.460 0.143 0.000 1.047 525 Y HN -0.239 nan 8.280 nan 0.000 0.522 526 D N 0.445 120.928 120.400 0.139 0.000 2.389 526 D HA 0.071 4.711 4.640 -0.000 0.000 0.247 526 D C 0.452 176.790 176.300 0.063 0.000 1.128 526 D CA 0.355 54.382 54.000 0.045 0.000 0.884 526 D CB 0.765 41.520 40.800 -0.074 0.000 1.194 526 D HN 0.113 nan 8.370 nan 0.000 0.441 527 K N 1.304 121.681 120.400 -0.038 0.000 2.477 527 K HA 0.039 4.359 4.320 -0.000 0.000 0.208 527 K C 1.571 177.939 176.600 -0.385 0.000 1.117 527 K CA 0.116 56.298 56.287 -0.175 0.000 1.039 527 K CB 0.574 32.993 32.500 -0.136 0.000 0.937 527 K HN 0.434 nan 8.250 nan 0.000 0.570 528 S N 0.645 116.147 115.700 -0.330 0.000 2.387 528 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 528 S C 0.922 175.247 174.600 -0.458 0.000 1.026 528 S CA 0.507 58.483 58.200 -0.373 0.000 0.972 528 S CB 0.007 63.011 63.200 -0.327 0.000 0.814 528 S HN 0.068 nan 8.310 nan 0.000 0.477 529 Q N 2.089 121.557 119.800 -0.554 0.000 2.377 529 Q HA 0.243 4.582 4.340 -0.000 0.000 0.249 529 Q C 0.774 176.624 176.000 -0.249 0.000 1.005 529 Q CA -0.099 55.390 55.803 -0.523 0.000 0.912 529 Q CB 1.406 29.602 28.738 -0.903 0.000 1.223 529 Q HN 0.796 nan 8.270 nan 0.000 0.459 530 K N 0.754 121.014 120.400 -0.234 0.000 2.439 530 K HA -0.061 4.259 4.320 -0.000 0.000 0.197 530 K C -0.173 176.535 176.600 0.180 0.000 1.041 530 K CA 0.899 57.102 56.287 -0.140 0.000 0.970 530 K CB 0.446 32.816 32.500 -0.217 0.000 0.773 530 K HN 0.149 nan 8.250 nan 0.000 0.479 531 D N 0.598 121.058 120.400 0.100 0.000 2.342 531 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 531 D C 0.147 176.546 176.300 0.165 0.000 1.101 531 D CA 0.160 54.242 54.000 0.138 0.000 0.837 531 D CB 0.417 41.269 40.800 0.086 0.000 0.938 531 D HN 0.113 nan 8.370 nan 0.000 0.508 532 R N -0.890 119.724 120.500 0.190 0.000 3.029 532 R HA 0.583 4.922 4.340 -0.000 0.000 0.239 532 R C 0.959 177.314 176.300 0.092 0.000 1.351 532 R CA -0.856 55.339 56.100 0.158 0.000 1.052 532 R CB 0.028 30.380 30.300 0.086 0.000 1.354 532 R HN -0.113 nan 8.270 nan 0.000 0.499 533 G N -0.229 108.640 108.800 0.115 0.000 3.609 533 G HA2 0.217 4.177 3.960 -0.000 0.000 0.280 533 G HA3 0.217 4.177 3.960 -0.000 0.000 0.280 533 G C 0.468 175.389 174.900 0.035 0.000 1.155 533 G CA 0.008 45.142 45.100 0.057 0.000 0.876 533 G HN 0.545 nan 8.290 nan 0.000 0.535 534 G N -0.263 108.452 108.800 -0.141 0.000 2.699 534 G HA2 0.436 4.395 3.960 -0.000 0.000 0.246 534 G HA3 0.436 4.395 3.960 -0.000 0.000 0.246 534 G C 0.572 175.293 174.900 -0.298 0.000 1.219 534 G CA 0.145 45.203 45.100 -0.071 0.000 0.866 534 G HN 0.611 nan 8.290 nan 0.000 0.572 535 A N 1.861 124.506 122.820 -0.291 0.000 2.785 535 A HA 0.518 4.838 4.320 -0.000 0.000 0.294 535 A C -0.140 177.321 177.584 -0.205 0.000 1.597 535 A CA -0.198 51.373 52.037 -0.776 0.000 1.283 535 A CB -1.014 17.519 19.000 -0.779 0.000 1.088 535 A HN 0.993 nan 8.150 nan 0.000 0.568 536 W N 0.213 121.391 121.300 -0.202 0.000 3.499 536 W HA 0.511 5.171 4.660 -0.000 0.000 0.288 536 W C -0.239 176.286 176.519 0.010 0.000 1.258 536 W CA -0.102 57.199 57.345 -0.073 0.000 1.203 536 W CB -0.181 29.237 29.460 -0.071 0.000 1.325 536 W HN 1.270 nan 8.180 nan 0.000 0.564 537 S N 0.615 116.492 115.700 0.295 0.000 3.443 537 S HA -0.293 4.177 4.470 -0.000 0.000 0.635 537 S C -0.898 173.781 174.600 0.131 0.000 2.555 537 S CA 0.847 59.176 58.200 0.215 0.000 2.778 537 S CB -1.153 62.172 63.200 0.208 0.000 0.331 537 S HN 0.956 nan 8.310 nan 0.000 1.765 538 F N 2.550 122.515 119.950 0.024 0.000 2.303 538 F HA 0.445 4.972 4.527 -0.000 0.000 0.368 538 F C 0.444 176.218 175.800 -0.044 0.000 1.105 538 F CA -0.772 57.250 58.000 0.037 0.000 1.153 538 F CB 0.458 39.519 39.000 0.101 0.000 1.362 538 F HN 0.515 nan 8.300 nan 0.000 0.511 539 N N 3.173 121.846 118.700 -0.045 0.000 2.434 539 N HA -0.052 4.688 4.740 -0.000 0.000 0.273 539 N C 1.074 176.571 175.510 -0.021 0.000 1.210 539 N CA 0.251 53.252 53.050 -0.083 0.000 0.992 539 N CB 0.861 39.258 38.487 -0.151 0.000 1.355 539 N HN 0.677 nan 8.380 nan 0.000 0.495 540 S N 1.176 116.969 115.700 0.154 0.000 2.522 540 S HA 0.164 4.634 4.470 -0.000 0.000 0.227 540 S C 0.597 175.142 174.600 -0.091 0.000 0.986 540 S CA 0.120 58.425 58.200 0.175 0.000 0.929 540 S CB 0.338 63.596 63.200 0.097 0.000 0.769 540 S HN 0.464 nan 8.310 nan 0.000 0.529 541 A N 0.039 122.706 122.820 -0.256 0.000 2.480 541 A HA 0.575 4.895 4.320 -0.000 0.000 0.302 541 A C -0.395 176.841 177.584 -0.579 0.000 1.151 541 A CA -0.195 51.530 52.037 -0.520 0.000 0.907 541 A CB 0.446 18.707 19.000 -1.231 0.000 1.487 541 A HN 0.248 nan 8.150 nan 0.000 0.396 542 T N 0.533 114.799 114.554 -0.480 0.000 2.932 542 T HA 0.860 5.210 4.350 -0.000 0.000 0.318 542 T C -0.498 173.857 174.700 -0.575 0.000 1.265 542 T CA 0.493 62.232 62.100 -0.602 0.000 1.036 542 T CB 1.493 70.162 68.868 -0.332 0.000 1.209 542 T HN 2.150 nan 8.240 nan 0.000 0.484 543 S N 1.691 117.105 115.700 -0.476 0.000 2.672 543 S HA 0.749 5.219 4.470 -0.000 0.000 0.271 543 S C 0.188 174.833 174.600 0.075 0.000 1.171 543 S CA -0.178 57.802 58.200 -0.365 0.000 0.817 543 S CB 1.005 63.734 63.200 -0.785 0.000 1.150 543 S HN 1.236 nan 8.310 nan 0.000 0.478 544 A N -0.152 122.814 122.820 0.242 0.000 2.460 544 A HA 0.734 5.054 4.320 -0.000 0.000 0.258 544 A C 1.430 179.227 177.584 0.356 0.000 1.300 544 A CA 0.729 52.914 52.037 0.248 0.000 0.913 544 A CB -1.432 17.689 19.000 0.202 0.000 1.031 544 A HN 2.472 nan 8.150 nan 0.000 0.512 545 G N -0.860 108.177 108.800 0.394 0.000 3.076 545 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.256 545 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.256 545 G C 0.200 175.272 174.900 0.287 0.000 1.589 545 G CA -0.225 45.158 45.100 0.472 0.000 1.044 545 G HN 0.856 nan 8.290 nan 0.000 0.563 546 V N 2.519 122.516 119.914 0.138 0.000 2.763 546 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 546 V C -0.163 175.821 176.094 -0.183 0.000 1.059 546 V CA 1.175 63.367 62.300 -0.179 0.000 1.138 546 V CB 1.340 32.769 31.823 -0.656 0.000 0.940 546 V HN 0.593 nan 8.190 nan 0.000 0.489 547 D N 3.480 123.789 120.400 -0.152 0.000 2.586 547 D HA 0.241 4.881 4.640 -0.000 0.000 0.254 547 D C -0.397 175.852 176.300 -0.084 0.000 1.248 547 D CA -0.433 53.540 54.000 -0.046 0.000 0.843 547 D CB 0.833 41.678 40.800 0.075 0.000 1.332 547 D HN 0.226 nan 8.370 nan 0.000 0.523 548 I N 3.314 123.798 120.570 -0.143 0.000 2.742 548 I HA 0.026 4.195 4.170 -0.000 0.000 0.287 548 I C -1.621 174.485 176.117 -0.019 0.000 1.186 548 I CA -1.115 60.145 61.300 -0.065 0.000 1.417 548 I CB -0.483 37.500 38.000 -0.027 0.000 1.377 548 I HN -0.006 nan 8.210 nan 0.000 0.556 549 P HA 0.094 nan 4.420 nan 0.000 0.277 549 P C -0.063 177.248 177.300 0.018 0.000 1.276 549 P CA -0.302 62.795 63.100 -0.005 0.000 0.788 549 P CB 0.179 31.866 31.700 -0.022 0.000 1.114 550 T N -2.380 112.187 114.554 0.022 0.000 2.856 550 T HA -0.044 4.306 4.350 -0.000 0.000 0.329 550 T C 1.382 176.102 174.700 0.034 0.000 1.094 550 T CA -0.168 61.950 62.100 0.029 0.000 1.112 550 T CB -0.127 68.755 68.868 0.024 0.000 1.009 550 T HN 0.291 nan 8.240 nan 0.000 0.550 551 M N 1.078 120.696 119.600 0.029 0.000 2.202 551 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 551 M C 1.420 177.734 176.300 0.023 0.000 1.063 551 M CA 1.827 57.142 55.300 0.026 0.000 1.097 551 M CB -1.156 31.451 32.600 0.011 0.000 1.382 551 M HN 0.832 nan 8.290 nan 0.000 0.413 552 D N -1.368 119.043 120.400 0.018 0.000 2.144 552 D HA -0.142 4.497 4.640 -0.000 0.000 0.199 552 D C 1.716 178.034 176.300 0.029 0.000 0.984 552 D CA 1.865 55.870 54.000 0.008 0.000 0.834 552 D CB -0.145 40.652 40.800 -0.005 0.000 0.955 552 D HN 0.387 nan 8.370 nan 0.000 0.465 553 T N 0.262 114.861 114.554 0.075 0.000 2.812 553 T HA -0.008 4.341 4.350 -0.000 0.000 0.264 553 T C 2.020 176.788 174.700 0.113 0.000 1.042 553 T CA 0.342 62.544 62.100 0.170 0.000 1.140 553 T CB -0.222 68.759 68.868 0.189 0.000 0.870 553 T HN 0.090 nan 8.240 nan 0.000 0.445 554 L N 0.675 121.929 121.223 0.051 0.000 2.021 554 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 554 L C 2.482 179.376 176.870 0.041 0.000 1.074 554 L CA 1.626 56.479 54.840 0.022 0.000 0.760 554 L CB -0.465 41.615 42.059 0.034 0.000 0.889 554 L HN 0.235 nan 8.230 nan 0.000 0.433 555 K N -0.690 119.743 120.400 0.056 0.000 2.432 555 K HA -0.057 4.263 4.320 -0.000 0.000 0.196 555 K C 2.046 178.707 176.600 0.103 0.000 1.038 555 K CA 0.530 56.859 56.287 0.070 0.000 0.986 555 K CB 0.078 32.600 32.500 0.036 0.000 0.782 555 K HN 0.294 nan 8.250 nan 0.000 0.485 556 R N 0.237 120.804 120.500 0.111 0.000 2.223 556 R HA 0.114 4.454 4.340 -0.000 0.000 0.198 556 R C 2.113 178.607 176.300 0.322 0.000 0.984 556 R CA 0.625 56.815 56.100 0.150 0.000 1.018 556 R CB 0.185 30.517 30.300 0.054 0.000 0.945 556 R HN 0.240 nan 8.270 nan 0.000 0.479 557 M N -2.054 117.663 119.600 0.195 0.000 2.367 557 M HA 0.371 4.851 4.480 -0.000 0.000 0.256 557 M C 0.178 176.303 176.300 -0.292 0.000 1.091 557 M CA 0.696 55.972 55.300 -0.039 0.000 1.049 557 M CB 0.959 33.361 32.600 -0.329 0.000 1.406 557 M HN -0.160 nan 8.290 nan 0.000 0.498 558 M N 1.411 120.937 119.600 -0.123 0.000 2.470 558 M HA 0.395 4.875 4.480 -0.000 0.000 0.285 558 M C -0.625 175.656 176.300 -0.033 0.000 1.213 558 M CA -0.659 54.504 55.300 -0.229 0.000 0.901 558 M CB 2.929 35.428 32.600 -0.169 0.000 1.718 558 M HN 0.282 nan 8.290 nan 0.000 0.469 559 S N 1.036 116.677 115.700 -0.099 0.000 2.632 559 S HA 0.580 5.050 4.470 -0.000 0.000 0.267 559 S C 1.069 175.704 174.600 0.058 0.000 1.276 559 S CA -0.104 58.145 58.200 0.081 0.000 0.998 559 S CB 1.392 64.630 63.200 0.063 0.000 0.953 559 S HN 0.811 nan 8.310 nan 0.000 0.547 560 A N 1.690 124.558 122.820 0.081 0.000 1.948 560 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 560 A C 2.480 180.093 177.584 0.049 0.000 1.177 560 A CA 2.348 54.424 52.037 0.065 0.000 0.636 560 A CB -1.728 17.309 19.000 0.062 0.000 0.815 560 A HN 1.348 nan 8.150 nan 0.000 0.449 561 S N -0.388 115.329 115.700 0.029 0.000 2.371 561 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 561 S C 1.687 176.273 174.600 -0.024 0.000 1.029 561 S CA 1.234 59.435 58.200 0.002 0.000 0.978 561 S CB -0.489 62.708 63.200 -0.005 0.000 0.833 561 S HN 0.655 nan 8.310 nan 0.000 0.466 562 E N 1.386 121.569 120.200 -0.028 0.000 2.085 562 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 562 E C 2.079 178.658 176.600 -0.035 0.000 0.994 562 E CA 1.519 57.893 56.400 -0.045 0.000 0.801 562 E CB -0.428 29.234 29.700 -0.063 0.000 0.743 562 E HN 0.513 nan 8.360 nan 0.000 0.453 563 L N 0.641 121.866 121.223 0.002 0.000 2.093 563 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 563 L C 2.254 179.188 176.870 0.107 0.000 1.085 563 L CA 1.067 55.938 54.840 0.051 0.000 0.755 563 L CB -0.269 41.837 42.059 0.078 0.000 0.904 563 L HN 0.113 nan 8.230 nan 0.000 0.435 564 D N -0.410 120.038 120.400 0.080 0.000 2.104 564 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 564 D C 2.039 178.137 176.300 -0.336 0.000 0.994 564 D CA 1.686 55.698 54.000 0.020 0.000 0.830 564 D CB 0.144 40.952 40.800 0.012 0.000 0.959 564 D HN 0.131 nan 8.370 nan 0.000 0.452 565 T N 0.047 114.463 114.554 -0.229 0.000 2.821 565 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 565 T C 1.915 176.437 174.700 -0.297 0.000 1.046 565 T CA 1.057 62.995 62.100 -0.269 0.000 1.139 565 T CB -0.281 68.494 68.868 -0.156 0.000 0.871 565 T HN 0.227 nan 8.240 nan 0.000 0.454 566 M N 0.874 120.341 119.600 -0.221 0.000 2.073 566 M HA -0.120 4.360 4.480 -0.000 0.000 0.258 566 M C 2.346 178.363 176.300 -0.472 0.000 1.070 566 M CA 1.943 57.102 55.300 -0.236 0.000 1.103 566 M CB -0.236 32.289 32.600 -0.126 0.000 1.321 566 M HN 0.613 nan 8.290 nan 0.000 0.405 567 W N 0.617 121.535 121.300 -0.638 0.000 2.453 567 W HA -0.032 4.628 4.660 -0.000 0.000 0.289 567 W C 1.476 177.766 176.519 -0.383 0.000 1.215 567 W CA 0.578 57.398 57.345 -0.875 0.000 1.297 567 W CB -0.998 28.085 29.460 -0.628 0.000 1.113 567 W HN 0.153 nan 8.180 nan 0.000 0.551 568 K N 0.708 120.430 120.400 -1.130 0.000 2.097 568 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 568 K C 0.398 176.733 176.600 -0.440 0.000 1.050 568 K CA 1.273 56.974 56.287 -0.977 0.000 0.938 568 K CB -0.297 31.571 32.500 -1.053 0.000 0.718 568 K HN -0.029 nan 8.250 nan 0.000 0.442 569 N N -0.247 118.241 118.700 -0.353 0.000 2.725 569 N HA 0.167 4.907 4.740 -0.000 0.000 0.248 569 N C -2.577 172.853 175.510 -0.133 0.000 1.402 569 N CA -1.825 51.109 53.050 -0.194 0.000 0.766 569 N CB 1.313 39.699 38.487 -0.169 0.000 1.223 569 N HN -0.259 nan 8.380 nan 0.000 0.515 570 P HA -0.074 nan 4.420 nan 0.000 0.220 570 P C 0.814 178.133 177.300 0.033 0.000 1.144 570 P CA 1.032 64.145 63.100 0.021 0.000 0.800 570 P CB 0.386 32.185 31.700 0.165 0.000 0.772 571 S N -0.960 114.743 115.700 0.006 0.000 2.447 571 S HA 0.045 4.514 4.470 -0.000 0.000 0.233 571 S C 1.162 175.758 174.600 -0.007 0.000 1.006 571 S CA 0.439 58.644 58.200 0.008 0.000 0.957 571 S CB -0.678 62.523 63.200 0.000 0.000 0.773 571 S HN 0.194 nan 8.310 nan 0.000 0.507 572 A N 1.881 124.684 122.820 -0.029 0.000 2.445 572 A HA 0.234 4.554 4.320 -0.000 0.000 0.242 572 A C 0.375 177.949 177.584 -0.017 0.000 1.075 572 A CA -0.135 51.883 52.037 -0.032 0.000 0.777 572 A CB 0.118 19.083 19.000 -0.058 0.000 1.013 572 A HN 0.304 nan 8.150 nan 0.000 0.493 573 K N 1.196 121.591 120.400 -0.009 0.000 2.448 573 K HA 0.083 4.403 4.320 -0.000 0.000 0.278 573 K C -0.446 176.162 176.600 0.013 0.000 1.009 573 K CA 0.389 56.679 56.287 0.005 0.000 0.995 573 K CB 0.221 32.730 32.500 0.015 0.000 0.917 573 K HN 0.637 nan 8.250 nan 0.000 0.481 574 Q N 3.044 122.852 119.800 0.014 0.000 2.327 574 Q HA 0.040 4.380 4.340 -0.000 0.000 0.270 574 Q C 0.064 176.107 176.000 0.072 0.000 1.022 574 Q CA -0.306 55.516 55.803 0.031 0.000 0.773 574 Q CB 1.273 30.004 28.738 -0.012 0.000 1.251 574 Q HN 0.651 nan 8.270 nan 0.000 0.457 575 Y N 3.010 123.303 120.300 -0.013 0.000 2.193 575 Y HA -0.235 4.315 4.550 -0.000 0.000 0.285 575 Y C 1.413 177.291 175.900 -0.037 0.000 1.166 575 Y CA 2.041 60.135 58.100 -0.010 0.000 1.181 575 Y CB 0.348 38.802 38.460 -0.010 0.000 0.976 575 Y HN 0.674 nan 8.280 nan 0.000 0.520 576 H N -0.495 118.505 119.070 -0.116 0.000 2.547 576 H HA 0.095 4.651 4.556 -0.000 0.000 0.274 576 H C 1.689 176.842 175.328 -0.292 0.000 1.024 576 H CA 0.493 56.314 56.048 -0.378 0.000 1.155 576 H CB 0.306 29.712 29.762 -0.594 0.000 1.344 576 H HN 0.335 nan 8.280 nan 0.000 0.598 577 R N 0.333 120.719 120.500 -0.189 0.000 1.799 577 R HA 0.124 4.464 4.340 -0.000 0.000 0.150 577 R C 0.082 176.124 176.300 -0.430 0.000 1.953 577 R CA 0.256 56.084 56.100 -0.453 0.000 1.598 577 R CB 0.378 30.417 30.300 -0.435 0.000 1.119 577 R HN 0.020 nan 8.270 nan 0.000 0.479 578 S N -1.324 114.202 115.700 -0.290 0.000 2.546 578 S HA 0.249 4.719 4.470 -0.000 0.000 0.274 578 S C 0.280 174.856 174.600 -0.041 0.000 1.121 578 S CA -0.244 57.872 58.200 -0.141 0.000 0.887 578 S CB 1.702 64.858 63.200 -0.074 0.000 1.094 578 S HN 0.518 nan 8.310 nan 0.000 0.474 579 S N 2.319 118.008 115.700 -0.020 0.000 2.474 579 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 579 S C 0.999 175.634 174.600 0.057 0.000 0.997 579 S CA 0.708 58.916 58.200 0.014 0.000 0.949 579 S CB -0.346 62.852 63.200 -0.003 0.000 0.766 579 S HN 0.699 nan 8.310 nan 0.000 0.517 580 S N 1.148 116.913 115.700 0.107 0.000 2.549 580 S HA 0.136 4.606 4.470 -0.000 0.000 0.279 580 S C 0.647 175.265 174.600 0.031 0.000 1.321 580 S CA -0.575 57.696 58.200 0.118 0.000 1.054 580 S CB 0.416 63.778 63.200 0.271 0.000 0.899 580 S HN 0.280 nan 8.310 nan 0.000 0.497 581 D N 3.485 123.879 120.400 -0.011 0.000 2.219 581 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 581 D C 1.723 177.933 176.300 -0.149 0.000 0.970 581 D CA 1.291 55.263 54.000 -0.048 0.000 0.851 581 D CB -0.318 40.468 40.800 -0.024 0.000 0.943 581 D HN 0.641 nan 8.370 nan 0.000 0.488 582 T N -0.049 114.321 114.554 -0.306 0.000 2.821 582 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 582 T C 0.878 175.061 174.700 -0.862 0.000 1.046 582 T CA 0.775 62.431 62.100 -0.740 0.000 1.139 582 T CB -0.081 68.129 68.868 -1.097 0.000 0.871 582 T HN 0.106 nan 8.240 nan 0.000 0.454 583 F N 0.212 120.115 119.950 -0.077 0.000 2.850 583 F HA 0.494 5.021 4.527 -0.000 0.000 0.329 583 F C 1.693 177.408 175.800 -0.141 0.000 1.182 583 F CA -1.293 56.644 58.000 -0.105 0.000 1.270 583 F CB -0.156 38.782 39.000 -0.103 0.000 0.979 583 F HN 0.068 nan 8.300 nan 0.000 0.506 584 G N 0.209 109.004 108.800 -0.009 0.000 2.511 584 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.217 584 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.217 584 G C 0.586 175.473 174.900 -0.021 0.000 1.133 584 G CA 0.451 45.540 45.100 -0.018 0.000 0.792 584 G HN 0.432 nan 8.290 nan 0.000 0.539 585 N N -1.179 117.517 118.700 -0.006 0.000 3.038 585 N HA 0.469 5.209 4.740 -0.000 0.000 0.307 585 N C -0.212 175.323 175.510 0.042 0.000 1.441 585 N CA -1.024 52.031 53.050 0.009 0.000 0.772 585 N CB 0.603 39.099 38.487 0.015 0.000 1.651 585 N HN -0.097 nan 8.380 nan 0.000 0.593 586 L N -0.797 120.472 121.223 0.077 0.000 3.141 586 L HA 0.424 4.764 4.340 -0.000 0.000 0.267 586 L C 1.675 178.679 176.870 0.223 0.000 1.281 586 L CA -0.393 54.545 54.840 0.165 0.000 1.037 586 L CB 0.002 42.184 42.059 0.204 0.000 1.407 586 L HN 0.668 nan 8.230 nan 0.000 0.566 587 K N 1.433 121.920 120.400 0.145 0.000 1.984 587 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 587 K C 1.929 178.610 176.600 0.135 0.000 1.046 587 K CA 1.443 57.801 56.287 0.118 0.000 0.934 587 K CB 0.022 32.561 32.500 0.066 0.000 0.717 587 K HN 0.322 nan 8.250 nan 0.000 0.438 588 L N 0.382 121.687 121.223 0.136 0.000 2.042 588 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 588 L C 2.520 179.506 176.870 0.192 0.000 1.076 588 L CA 1.461 56.385 54.840 0.141 0.000 0.749 588 L CB -0.543 41.568 42.059 0.086 0.000 0.893 588 L HN 0.247 nan 8.230 nan 0.000 0.432 589 F N 0.791 120.812 119.950 0.119 0.000 2.069 589 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 589 F C 2.286 178.102 175.800 0.027 0.000 1.113 589 F CA 1.784 59.828 58.000 0.074 0.000 1.214 589 F CB -0.757 38.339 39.000 0.159 0.000 0.978 589 F HN -0.013 nan 8.300 nan 0.000 0.474 590 G N -0.363 108.575 108.800 0.230 0.000 2.422 590 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 590 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 590 G C 1.277 176.183 174.900 0.010 0.000 1.146 590 G CA 1.110 46.313 45.100 0.172 0.000 0.769 590 G HN 0.368 nan 8.290 nan 0.000 0.547 591 D N 1.060 121.459 120.400 -0.001 0.000 2.117 591 D HA -0.013 4.627 4.640 -0.000 0.000 0.197 591 D C 2.772 178.987 176.300 -0.141 0.000 0.987 591 D CA 1.281 55.250 54.000 -0.052 0.000 0.829 591 D CB -0.491 40.305 40.800 -0.007 0.000 0.961 591 D HN 0.325 nan 8.370 nan 0.000 0.460 592 A N 0.388 123.107 122.820 -0.168 0.000 1.929 592 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 592 A C 2.133 179.561 177.584 -0.260 0.000 1.176 592 A CA 0.628 52.542 52.037 -0.205 0.000 0.628 592 A CB -0.635 18.053 19.000 -0.519 0.000 0.816 592 A HN 0.177 nan 8.150 nan 0.000 0.444 593 L N -0.195 120.794 121.223 -0.390 0.000 1.989 593 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 593 L C 2.635 179.490 176.870 -0.026 0.000 1.071 593 L CA 2.705 57.393 54.840 -0.253 0.000 0.749 593 L CB -0.929 40.836 42.059 -0.490 0.000 0.890 593 L HN 0.386 nan 8.230 nan 0.000 0.431 594 T N -0.651 113.877 114.554 -0.042 0.000 2.652 594 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 594 T C 1.904 176.570 174.700 -0.057 0.000 1.039 594 T CA 1.930 64.026 62.100 -0.006 0.000 1.153 594 T CB -0.186 68.677 68.868 -0.009 0.000 0.863 594 T HN 0.293 nan 8.240 nan 0.000 0.428 595 K N 0.157 120.455 120.400 -0.170 0.000 2.211 595 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 595 K C 2.544 179.074 176.600 -0.116 0.000 1.050 595 K CA 0.929 57.055 56.287 -0.268 0.000 0.945 595 K CB 0.056 32.101 32.500 -0.759 0.000 0.732 595 K HN 0.234 nan 8.250 nan 0.000 0.451 596 R N -0.974 119.503 120.500 -0.038 0.000 2.102 596 R HA 0.071 4.411 4.340 -0.000 0.000 0.208 596 R C 1.958 178.106 176.300 -0.254 0.000 1.131 596 R CA 0.459 56.523 56.100 -0.060 0.000 1.054 596 R CB -0.297 29.992 30.300 -0.017 0.000 0.954 596 R HN 0.120 nan 8.270 nan 0.000 0.465 597 Y N 1.257 121.572 120.300 0.025 0.000 2.271 597 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 597 Y C 1.353 177.276 175.900 0.037 0.000 1.189 597 Y CA 1.054 59.169 58.100 0.025 0.000 1.229 597 Y CB -0.716 37.754 38.460 0.017 0.000 0.973 597 Y HN 0.321 nan 8.280 nan 0.000 0.537 598 G N -0.434 108.437 108.800 0.119 0.000 2.721 598 G HA2 0.125 4.085 3.960 -0.000 0.000 0.686 598 G HA3 0.125 4.085 3.960 -0.000 0.000 0.686 598 G C -0.289 174.676 174.900 0.108 0.000 1.236 598 G CA -1.111 44.045 45.100 0.094 0.000 0.786 598 G HN 0.736 nan 8.290 nan 0.000 0.616 599 A N 1.616 124.486 122.820 0.084 0.000 2.561 599 A HA 0.557 4.877 4.320 -0.000 0.000 0.234 599 A C 1.204 178.869 177.584 0.136 0.000 1.055 599 A CA 1.182 53.284 52.037 0.109 0.000 0.756 599 A CB 0.095 19.149 19.000 0.090 0.000 0.986 599 A HN 2.036 nan 8.150 nan 0.000 0.505 600 S N 1.295 117.115 115.700 0.200 0.000 2.528 600 S HA 0.365 4.835 4.470 -0.000 0.000 0.277 600 S C 1.360 176.030 174.600 0.118 0.000 1.297 600 S CA -0.017 58.290 58.200 0.177 0.000 1.052 600 S CB 1.436 64.838 63.200 0.336 0.000 0.917 600 S HN 1.087 nan 8.310 nan 0.000 0.492 601 A N 3.221 126.009 122.820 -0.053 0.000 2.072 601 A HA 0.187 4.506 4.320 -0.000 0.000 0.216 601 A C 0.666 178.016 177.584 -0.390 0.000 1.156 601 A CA 0.787 52.761 52.037 -0.106 0.000 0.701 601 A CB -0.475 18.462 19.000 -0.105 0.000 0.816 601 A HN 0.955 nan 8.150 nan 0.000 0.458 602 N N -4.363 113.810 118.700 -0.879 0.000 3.465 602 N HA 0.179 4.919 4.740 -0.000 0.000 0.244 602 N C -0.152 174.442 175.510 -1.528 0.000 1.454 602 N CA -0.241 51.905 53.050 -1.507 0.000 0.865 602 N CB 0.005 38.102 38.487 -0.650 0.000 1.439 602 N HN -0.050 nan 8.380 nan 0.000 0.480 603 L N 0.400 120.773 121.223 -1.416 0.000 1.989 603 L HA 0.014 4.354 4.340 -0.000 0.000 0.211 603 L C 1.309 178.027 176.870 -0.254 0.000 1.071 603 L CA 2.092 56.508 54.840 -0.706 0.000 0.749 603 L CB -1.180 40.707 42.059 -0.287 0.000 0.890 603 L HN 0.659 nan 8.230 nan 0.000 0.431 604 N N -0.059 118.489 118.700 -0.254 0.000 2.094 604 N HA -0.232 4.508 4.740 -0.000 0.000 0.191 604 N C 1.653 177.059 175.510 -0.174 0.000 1.023 604 N CA 1.645 54.592 53.050 -0.172 0.000 0.857 604 N CB -0.600 37.774 38.487 -0.189 0.000 1.013 604 N HN 0.491 nan 8.380 nan 0.000 0.426 605 D N -0.224 120.044 120.400 -0.221 0.000 2.144 605 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 605 D C 1.718 177.987 176.300 -0.051 0.000 0.984 605 D CA 0.515 54.408 54.000 -0.178 0.000 0.834 605 D CB -0.207 40.483 40.800 -0.183 0.000 0.955 605 D HN 0.211 nan 8.370 nan 0.000 0.465 606 F N 0.194 120.058 119.950 -0.144 0.000 2.146 606 F HA -0.095 4.431 4.527 -0.000 0.000 0.298 606 F C 2.047 177.863 175.800 0.027 0.000 1.096 606 F CA 0.972 58.969 58.000 -0.005 0.000 1.275 606 F CB -0.308 38.743 39.000 0.084 0.000 1.008 606 F HN -0.143 nan 8.300 nan 0.000 0.480 607 V N 2.563 122.502 119.914 0.042 0.000 2.358 607 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 607 V C 2.687 178.739 176.094 -0.070 0.000 1.047 607 V CA 2.171 64.462 62.300 -0.015 0.000 1.035 607 V CB -0.934 30.927 31.823 0.063 0.000 0.658 607 V HN 0.434 nan 8.190 nan 0.000 0.452 608 R N 0.901 121.359 120.500 -0.071 0.000 2.090 608 R HA -0.140 4.200 4.340 -0.000 0.000 0.228 608 R C 2.107 178.432 176.300 0.041 0.000 1.110 608 R CA 1.630 57.716 56.100 -0.023 0.000 0.973 608 R CB -0.414 29.784 30.300 -0.170 0.000 0.869 608 R HN 0.386 nan 8.270 nan 0.000 0.440 609 K N 0.708 121.072 120.400 -0.060 0.000 2.103 609 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 609 K C 2.263 178.584 176.600 -0.464 0.000 1.052 609 K CA 1.152 57.267 56.287 -0.288 0.000 0.945 609 K CB -0.076 32.284 32.500 -0.234 0.000 0.722 609 K HN 0.278 nan 8.250 nan 0.000 0.443 610 A N 1.406 124.040 122.820 -0.311 0.000 1.902 610 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 610 A C 2.040 179.625 177.584 0.002 0.000 1.181 610 A CA 1.289 53.266 52.037 -0.101 0.000 0.623 610 A CB -0.327 18.588 19.000 -0.142 0.000 0.818 610 A HN 0.165 nan 8.150 nan 0.000 0.443 611 Q N -0.040 119.734 119.800 -0.043 0.000 2.084 611 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 611 Q C 2.161 178.158 176.000 -0.005 0.000 0.978 611 Q CA 1.223 57.046 55.803 0.034 0.000 0.844 611 Q CB -0.632 28.151 28.738 0.075 0.000 0.898 611 Q HN 0.718 nan 8.270 nan 0.000 0.426 612 L N -0.050 121.012 121.223 -0.269 0.000 2.027 612 L HA -0.132 4.207 4.340 -0.000 0.000 0.206 612 L C 2.573 179.580 176.870 0.229 0.000 1.074 612 L CA 1.200 55.862 54.840 -0.297 0.000 0.745 612 L CB -0.565 41.027 42.059 -0.778 0.000 0.898 612 L HN 0.202 nan 8.230 nan 0.000 0.433 613 S N -0.516 115.185 115.700 0.001 0.000 2.370 613 S HA -0.255 4.215 4.470 -0.000 0.000 0.226 613 S C 1.931 176.800 174.600 0.449 0.000 1.033 613 S CA 1.577 59.958 58.200 0.302 0.000 1.011 613 S CB -0.036 63.231 63.200 0.112 0.000 0.852 613 S HN 0.418 nan 8.310 nan 0.000 0.457 614 Q N -0.976 119.052 119.800 0.379 0.000 2.050 614 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 614 Q C 1.951 178.165 176.000 0.357 0.000 0.980 614 Q CA 1.981 58.004 55.803 0.367 0.000 0.840 614 Q CB -0.402 28.498 28.738 0.271 0.000 0.898 614 Q HN 0.787 nan 8.270 nan 0.000 0.424 615 Y N 1.552 122.016 120.300 0.273 0.000 2.097 615 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 615 Y C 2.429 178.499 175.900 0.284 0.000 1.152 615 Y CA 1.961 60.245 58.100 0.306 0.000 1.136 615 Y CB 0.034 38.760 38.460 0.444 0.000 0.975 615 Y HN 0.146 nan 8.280 nan 0.000 0.498 616 E N -0.067 120.544 120.200 0.686 0.000 2.070 616 E HA -0.310 4.040 4.350 -0.000 0.000 0.197 616 E C 2.029 178.813 176.600 0.307 0.000 1.004 616 E CA 1.534 58.172 56.400 0.397 0.000 0.805 616 E CB -0.353 29.603 29.700 0.427 0.000 0.744 616 E HN 0.511 nan 8.360 nan 0.000 0.451 617 N N -0.046 118.861 118.700 0.346 0.000 2.207 617 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 617 N C 1.982 177.618 175.510 0.210 0.000 1.020 617 N CA 1.007 54.252 53.050 0.325 0.000 0.858 617 N CB 0.126 38.845 38.487 0.386 0.000 0.991 617 N HN 0.057 nan 8.380 nan 0.000 0.427 618 V N 1.827 121.838 119.914 0.161 0.000 2.358 618 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 618 V C 2.658 178.773 176.094 0.034 0.000 1.047 618 V CA 1.354 63.683 62.300 0.049 0.000 1.035 618 V CB -0.535 31.248 31.823 -0.067 0.000 0.658 618 V HN 0.318 nan 8.190 nan 0.000 0.452 619 R N 0.336 120.841 120.500 0.009 0.000 2.094 619 R HA -0.239 4.101 4.340 -0.000 0.000 0.239 619 R C 2.322 178.719 176.300 0.163 0.000 1.137 619 R CA 2.044 58.165 56.100 0.034 0.000 0.943 619 R CB -0.531 29.761 30.300 -0.014 0.000 0.850 619 R HN 0.483 nan 8.270 nan 0.000 0.433 620 A N 0.752 123.714 122.820 0.237 0.000 1.902 620 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 620 A C 2.045 179.622 177.584 -0.012 0.000 1.181 620 A CA 1.720 53.958 52.037 0.335 0.000 0.623 620 A CB -0.680 18.598 19.000 0.463 0.000 0.818 620 A HN 0.628 nan 8.150 nan 0.000 0.443 621 E N -1.170 118.756 120.200 -0.457 0.000 2.049 621 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 621 E C 1.714 177.958 176.600 -0.592 0.000 1.007 621 E CA 1.793 57.519 56.400 -1.124 0.000 0.809 621 E CB -0.253 28.534 29.700 -1.521 0.000 0.749 621 E HN 0.623 nan 8.360 nan 0.000 0.450 622 F N 0.974 120.723 119.950 -0.334 0.000 2.128 622 F HA -0.070 4.457 4.527 -0.000 0.000 0.295 622 F C 2.410 178.151 175.800 -0.098 0.000 1.100 622 F CA 1.312 59.169 58.000 -0.240 0.000 1.260 622 F CB -0.210 38.641 39.000 -0.249 0.000 1.009 622 F HN 0.047 nan 8.300 nan 0.000 0.476 623 E N -0.022 120.272 120.200 0.157 0.000 2.118 623 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 623 E C 2.302 178.973 176.600 0.117 0.000 0.992 623 E CA 1.659 58.182 56.400 0.206 0.000 0.804 623 E CB -0.262 29.654 29.700 0.360 0.000 0.741 623 E HN 0.424 nan 8.360 nan 0.000 0.458 624 S N 0.229 115.849 115.700 -0.133 0.000 2.368 624 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 624 S C 1.738 176.241 174.600 -0.161 0.000 1.029 624 S CA 1.250 59.176 58.200 -0.456 0.000 0.988 624 S CB -0.464 62.165 63.200 -0.953 0.000 0.838 624 S HN 0.315 nan 8.310 nan 0.000 0.462 625 H N 1.431 120.404 119.070 -0.162 0.000 2.395 625 H HA 0.208 4.764 4.556 -0.000 0.000 0.299 625 H C 2.552 177.877 175.328 -0.004 0.000 1.070 625 H CA 1.416 57.402 56.048 -0.103 0.000 1.356 625 H CB -0.410 29.223 29.762 -0.216 0.000 1.401 625 H HN 0.356 nan 8.280 nan 0.000 0.524 626 S N -0.035 115.748 115.700 0.138 0.000 2.359 626 S HA -0.185 4.284 4.470 -0.000 0.000 0.224 626 S C 2.127 176.839 174.600 0.186 0.000 1.035 626 S CA 1.222 59.506 58.200 0.140 0.000 1.018 626 S CB -0.091 63.187 63.200 0.130 0.000 0.876 626 S HN 0.375 nan 8.310 nan 0.000 0.448 627 R N 1.240 121.839 120.500 0.166 0.000 2.073 627 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 627 R C 1.154 177.540 176.300 0.143 0.000 1.134 627 R CA 1.557 57.756 56.100 0.164 0.000 0.952 627 R CB -0.280 30.139 30.300 0.197 0.000 0.850 627 R HN 0.280 nan 8.270 nan 0.000 0.433 628 N N -0.093 118.677 118.700 0.116 0.000 2.521 628 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 628 N C 0.999 176.588 175.510 0.133 0.000 1.146 628 N CA 0.352 53.458 53.050 0.093 0.000 0.893 628 N CB -0.241 38.270 38.487 0.040 0.000 0.975 628 N HN 0.321 nan 8.380 nan 0.000 0.451 629 Y N 1.969 122.293 120.300 0.041 0.000 2.207 629 Y HA -0.175 4.375 4.550 -0.000 0.000 0.287 629 Y C 1.694 177.627 175.900 0.055 0.000 1.156 629 Y CA 1.544 59.675 58.100 0.052 0.000 1.182 629 Y CB -0.518 37.977 38.460 0.058 0.000 0.979 629 Y HN 0.076 nan 8.280 nan 0.000 0.521 630 T N -2.070 112.425 114.554 -0.097 0.000 3.206 630 T HA 0.159 4.509 4.350 -0.000 0.000 0.253 630 T C -0.113 174.534 174.700 -0.088 0.000 1.042 630 T CA -0.306 61.679 62.100 -0.192 0.000 0.931 630 T CB -0.451 68.348 68.868 -0.115 0.000 1.029 630 T HN 0.014 nan 8.240 nan 0.000 0.564 631 D N 1.948 122.324 120.400 -0.040 0.000 2.443 631 D HA 0.221 4.861 4.640 -0.000 0.000 0.239 631 D C 1.022 177.301 176.300 -0.034 0.000 1.136 631 D CA -0.084 53.905 54.000 -0.019 0.000 0.879 631 D CB 1.391 42.197 40.800 0.010 0.000 1.195 631 D HN 0.089 nan 8.370 nan 0.000 0.443 632 S N 0.281 115.964 115.700 -0.029 0.000 2.402 632 S HA -0.051 4.418 4.470 -0.000 0.000 0.229 632 S C 0.802 175.389 174.600 -0.023 0.000 1.021 632 S CA 0.846 59.028 58.200 -0.029 0.000 0.974 632 S CB 0.219 63.403 63.200 -0.026 0.000 0.800 632 S HN 0.463 nan 8.310 nan 0.000 0.484 633 T N 2.470 117.011 114.554 -0.021 0.000 2.841 633 T HA 0.349 4.699 4.350 -0.000 0.000 0.285 633 T C -0.270 174.422 174.700 -0.014 0.000 0.991 633 T CA -0.653 61.432 62.100 -0.024 0.000 0.966 633 T CB 1.086 69.928 68.868 -0.043 0.000 0.962 633 T HN 0.126 nan 8.240 nan 0.000 0.438 634 N N 2.761 121.464 118.700 0.006 0.000 2.696 634 N HA -0.105 4.635 4.740 -0.000 0.000 0.256 634 N C -2.619 172.959 175.510 0.113 0.000 1.031 634 N CA 0.239 53.320 53.050 0.052 0.000 0.730 634 N CB -0.191 38.273 38.487 -0.038 0.000 0.894 634 N HN 0.400 nan 8.380 nan 0.000 0.544 635 P HA 0.078 nan 4.420 nan 0.000 0.274 635 P C -0.134 177.272 177.300 0.176 0.000 1.237 635 P CA -0.156 63.010 63.100 0.110 0.000 0.793 635 P CB 0.499 32.230 31.700 0.051 0.000 0.977 636 S N -0.342 115.452 115.700 0.158 0.000 2.549 636 S HA 0.250 4.720 4.470 -0.000 0.000 0.279 636 S C 1.026 175.767 174.600 0.235 0.000 1.321 636 S CA 0.059 58.340 58.200 0.135 0.000 1.054 636 S CB -0.236 62.967 63.200 0.006 0.000 0.899 636 S HN 0.660 nan 8.310 nan 0.000 0.497 637 T N -1.331 113.324 114.554 0.167 0.000 2.975 637 T HA 0.533 4.883 4.350 -0.000 0.000 0.261 637 T C 0.584 175.247 174.700 -0.061 0.000 0.984 637 T CA 0.135 62.373 62.100 0.231 0.000 0.911 637 T CB 0.205 69.286 68.868 0.355 0.000 1.127 637 T HN 1.188 nan 8.240 nan 0.000 0.514 638 G N 0.921 109.417 108.800 -0.506 0.000 2.702 638 G HA2 0.557 4.517 3.960 -0.000 0.000 0.296 638 G HA3 0.557 4.517 3.960 -0.000 0.000 0.296 638 G C -2.582 171.734 174.900 -0.974 0.000 1.463 638 G CA -0.777 43.544 45.100 -1.298 0.000 0.890 638 G HN 0.414 nan 8.290 nan 0.000 0.534 639 L N 1.872 122.640 121.223 -0.760 0.000 2.476 639 L HA 0.719 5.059 4.340 -0.000 0.000 0.269 639 L C -1.369 175.246 176.870 -0.425 0.000 0.965 639 L CA -0.878 53.547 54.840 -0.693 0.000 0.845 639 L CB 1.718 43.181 42.059 -0.994 0.000 1.259 639 L HN 0.419 nan 8.230 nan 0.000 0.403 640 I N 5.486 125.887 120.570 -0.282 0.000 2.371 640 I HA 0.178 4.348 4.170 -0.000 0.000 0.282 640 I C -0.570 175.489 176.117 -0.096 0.000 1.031 640 I CA -0.537 60.727 61.300 -0.060 0.000 1.180 640 I CB 0.894 38.961 38.000 0.111 0.000 1.336 640 I HN 0.656 nan 8.210 nan 0.000 0.467 641 Y N 6.227 126.412 120.300 -0.192 0.000 2.620 641 Y HA -0.062 4.488 4.550 -0.000 0.000 0.330 641 Y C -0.023 175.866 175.900 -0.018 0.000 1.186 641 Y CA 0.307 58.291 58.100 -0.194 0.000 1.467 641 Y CB 0.556 38.971 38.460 -0.075 0.000 1.262 641 Y HN 0.534 nan 8.280 nan 0.000 0.550 642 W N 10.570 131.300 121.300 -0.949 0.000 2.316 642 W HA 0.371 5.031 4.660 -0.000 0.000 0.339 642 W C -1.345 174.691 176.519 -0.804 0.000 1.002 642 W CA -0.601 56.254 57.345 -0.817 0.000 1.465 642 W CB 0.436 29.376 29.460 -0.868 0.000 1.300 642 W HN 0.614 nan 8.180 nan 0.000 0.378 643 M N 3.093 122.413 119.600 -0.466 0.000 2.719 643 M HA 0.164 4.644 4.480 -0.000 0.000 0.291 643 M C 0.885 177.096 176.300 -0.148 0.000 1.264 643 M CA -0.860 54.087 55.300 -0.588 0.000 0.811 643 M CB 2.097 33.996 32.600 -1.168 0.000 1.756 643 M HN 0.231 nan 8.290 nan 0.000 0.464 644 L N 1.807 122.894 121.223 -0.226 0.000 2.042 644 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 644 L C 0.519 177.077 176.870 -0.519 0.000 1.076 644 L CA 1.804 56.520 54.840 -0.208 0.000 0.749 644 L CB -0.132 41.879 42.059 -0.080 0.000 0.893 644 L HN 0.886 nan 8.230 nan 0.000 0.432 645 N N -2.799 115.552 118.700 -0.582 0.000 3.106 645 N HA 0.209 4.949 4.740 -0.000 0.000 0.253 645 N C -1.340 173.888 175.510 -0.471 0.000 1.506 645 N CA -0.277 52.344 53.050 -0.715 0.000 0.876 645 N CB 1.213 39.089 38.487 -1.019 0.000 1.452 645 N HN -0.088 nan 8.380 nan 0.000 0.542 646 S N -1.173 114.320 115.700 -0.345 0.000 2.568 646 S HA 0.639 5.109 4.470 -0.000 0.000 0.302 646 S C -2.079 172.410 174.600 -0.184 0.000 1.082 646 S CA -1.694 56.376 58.200 -0.216 0.000 1.009 646 S CB 1.150 64.278 63.200 -0.121 0.000 1.069 646 S HN 0.440 nan 8.310 nan 0.000 0.500 647 P HA 0.126 nan 4.420 nan 0.000 0.230 647 P C -0.279 176.893 177.300 -0.215 0.000 1.158 647 P CA 0.751 63.685 63.100 -0.278 0.000 0.769 647 P CB -0.001 31.303 31.700 -0.660 0.000 0.807 648 W N -1.959 119.008 121.300 -0.555 0.000 2.894 648 W HA 0.352 5.011 4.660 -0.000 0.000 0.424 648 W C -1.254 174.700 176.519 -0.942 0.000 1.072 648 W CA -0.703 56.056 57.345 -0.978 0.000 1.194 648 W CB -0.676 28.326 29.460 -0.763 0.000 1.471 648 W HN -0.332 nan 8.180 nan 0.000 0.608 649 T N 1.298 115.004 114.554 -1.413 0.000 2.817 649 T HA 0.441 4.791 4.350 -0.000 0.000 0.295 649 T C -0.177 173.921 174.700 -1.005 0.000 0.958 649 T CA 0.226 61.695 62.100 -1.051 0.000 1.157 649 T CB 0.911 69.252 68.868 -0.879 0.000 0.898 649 T HN 0.743 nan 8.240 nan 0.000 0.536 650 S N 2.068 117.421 115.700 -0.578 0.000 2.595 650 S HA 0.531 5.001 4.470 -0.000 0.000 0.281 650 S C 0.387 174.851 174.600 -0.227 0.000 1.117 650 S CA -1.019 56.961 58.200 -0.367 0.000 0.873 650 S CB 1.169 64.292 63.200 -0.127 0.000 1.108 650 S HN 0.726 nan 8.310 nan 0.000 0.477 651 L N 3.188 124.300 121.223 -0.186 0.000 2.628 651 L HA 0.389 4.729 4.340 -0.000 0.000 0.229 651 L C 0.601 177.419 176.870 -0.086 0.000 1.137 651 L CA -0.039 54.714 54.840 -0.144 0.000 0.909 651 L CB -0.482 41.489 42.059 -0.147 0.000 1.137 651 L HN 0.778 nan 8.230 nan 0.000 0.470 652 H N -6.043 112.901 119.070 -0.209 0.000 2.990 652 H HA 0.187 4.743 4.556 -0.000 0.000 0.336 652 H C -1.222 174.065 175.328 -0.069 0.000 1.306 652 H CA -1.239 54.669 56.048 -0.233 0.000 1.118 652 H CB 0.716 30.159 29.762 -0.533 0.000 1.856 652 H HN -0.109 nan 8.280 nan 0.000 0.538 653 W N 1.796 122.967 121.300 -0.215 0.000 6.544 653 W HA -0.192 4.468 4.660 -0.000 0.000 0.423 653 W C -0.893 175.465 176.519 -0.269 0.000 1.688 653 W CA 1.328 58.442 57.345 -0.385 0.000 1.082 653 W CB -2.209 26.750 29.460 -0.835 0.000 2.917 653 W HN 0.900 nan 8.180 nan 0.000 1.481 654 Q N -1.973 117.905 119.800 0.131 0.000 2.479 654 Q HA 0.626 4.966 4.340 -0.000 0.000 0.276 654 Q C -0.387 175.599 176.000 -0.024 0.000 0.989 654 Q CA -1.077 54.706 55.803 -0.033 0.000 0.864 654 Q CB 1.068 29.735 28.738 -0.117 0.000 1.444 654 Q HN 0.121 nan 8.270 nan 0.000 0.388 655 L N 0.325 121.453 121.223 -0.160 0.000 2.265 655 L HA 0.338 4.678 4.340 -0.000 0.000 0.195 655 L C 0.621 177.583 176.870 0.154 0.000 1.083 655 L CA 0.311 55.086 54.840 -0.108 0.000 0.798 655 L CB 0.118 42.042 42.059 -0.224 0.000 0.989 655 L HN 0.664 nan 8.230 nan 0.000 0.472 656 F N 0.605 120.689 119.950 0.223 0.000 2.425 656 F HA 0.541 5.068 4.527 -0.000 0.000 0.331 656 F C -0.041 175.803 175.800 0.074 0.000 1.085 656 F CA -1.899 56.226 58.000 0.209 0.000 1.028 656 F CB 0.099 39.335 39.000 0.394 0.000 1.177 656 F HN -0.004 nan 8.300 nan 0.000 0.487 657 D N 1.796 122.319 120.400 0.205 0.000 2.433 657 D HA 0.384 5.024 4.640 -0.000 0.000 0.255 657 D C 1.101 177.442 176.300 0.068 0.000 1.226 657 D CA -0.338 53.678 54.000 0.028 0.000 1.015 657 D CB 0.656 41.441 40.800 -0.025 0.000 1.091 657 D HN 0.748 nan 8.370 nan 0.000 0.527 658 A N -0.813 121.901 122.820 -0.176 0.000 2.076 658 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 658 A C 1.359 178.892 177.584 -0.085 0.000 1.160 658 A CA 1.087 52.996 52.037 -0.212 0.000 0.653 658 A CB -1.005 17.639 19.000 -0.594 0.000 0.801 658 A HN 0.588 nan 8.150 nan 0.000 0.455 659 Y N -1.906 118.465 120.300 0.119 0.000 2.457 659 Y HA 0.253 4.802 4.550 -0.000 0.000 0.263 659 Y C 1.024 176.965 175.900 0.069 0.000 1.164 659 Y CA -0.087 58.073 58.100 0.100 0.000 1.274 659 Y CB 0.077 38.582 38.460 0.075 0.000 1.097 659 Y HN 0.210 nan 8.280 nan 0.000 0.523 660 M N -0.740 118.990 119.600 0.216 0.000 2.939 660 M HA -0.236 4.244 4.480 -0.000 0.000 0.202 660 M C -0.655 175.781 176.300 0.225 0.000 0.592 660 M CA 0.507 55.895 55.300 0.148 0.000 0.749 660 M CB -1.809 30.731 32.600 -0.101 0.000 2.692 660 M HN 0.240 nan 8.290 nan 0.000 0.382 661 D N 1.538 122.043 120.400 0.176 0.000 2.354 661 D HA 0.521 5.161 4.640 -0.000 0.000 0.247 661 D C 0.056 176.317 176.300 -0.065 0.000 1.138 661 D CA 0.441 54.477 54.000 0.061 0.000 0.958 661 D CB 0.714 41.561 40.800 0.079 0.000 1.144 661 D HN 0.346 nan 8.370 nan 0.000 0.458 662 Q N 1.422 121.071 119.800 -0.252 0.000 2.290 662 Q HA 0.314 4.654 4.340 -0.000 0.000 0.269 662 Q C -0.377 175.295 176.000 -0.545 0.000 1.016 662 Q CA -0.954 54.489 55.803 -0.600 0.000 0.754 662 Q CB 1.706 29.813 28.738 -1.052 0.000 1.247 662 Q HN 0.463 nan 8.270 nan 0.000 0.451 663 N N 0.422 118.898 118.700 -0.374 0.000 3.061 663 N HA 0.327 5.067 4.740 -0.000 0.000 0.346 663 N C 0.916 176.344 175.510 -0.136 0.000 1.392 663 N CA -0.184 52.745 53.050 -0.201 0.000 0.762 663 N CB -0.266 38.204 38.487 -0.029 0.000 1.367 663 N HN 0.442 nan 8.380 nan 0.000 0.607 664 G N -0.610 108.290 108.800 0.167 0.000 2.422 664 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 664 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 664 G C 1.378 176.454 174.900 0.293 0.000 1.146 664 G CA 1.522 46.876 45.100 0.423 0.000 0.769 664 G HN 0.788 nan 8.290 nan 0.000 0.547 665 A N 0.033 122.935 122.820 0.136 0.000 1.902 665 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 665 A C 2.166 179.690 177.584 -0.101 0.000 1.181 665 A CA 1.654 53.702 52.037 0.019 0.000 0.623 665 A CB -0.741 18.266 19.000 0.010 0.000 0.818 665 A HN 0.447 nan 8.150 nan 0.000 0.443 666 Y N -0.766 119.416 120.300 -0.196 0.000 2.097 666 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 666 Y C 2.280 178.058 175.900 -0.203 0.000 1.152 666 Y CA 2.424 60.376 58.100 -0.248 0.000 1.136 666 Y CB -0.418 37.846 38.460 -0.327 0.000 0.975 666 Y HN 0.395 nan 8.280 nan 0.000 0.498 667 Y N -0.416 119.970 120.300 0.143 0.000 2.293 667 Y HA -0.027 4.523 4.550 -0.000 0.000 0.291 667 Y C 2.614 178.292 175.900 -0.371 0.000 1.137 667 Y CA 0.777 58.906 58.100 0.047 0.000 1.202 667 Y CB -1.298 37.330 38.460 0.280 0.000 0.990 667 Y HN 0.198 nan 8.280 nan 0.000 0.537 668 G N -0.349 108.135 108.800 -0.527 0.000 2.418 668 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 668 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 668 G C 1.959 176.535 174.900 -0.539 0.000 1.158 668 G CA 1.084 45.598 45.100 -0.976 0.000 0.771 668 G HN 0.462 nan 8.290 nan 0.000 0.545 669 A N 0.763 123.295 122.820 -0.479 0.000 1.877 669 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 669 A C 2.209 179.405 177.584 -0.647 0.000 1.186 669 A CA 2.151 53.800 52.037 -0.645 0.000 0.620 669 A CB -0.483 18.058 19.000 -0.766 0.000 0.822 669 A HN 0.396 nan 8.150 nan 0.000 0.443 670 K N -0.316 119.767 120.400 -0.528 0.000 2.032 670 K HA -0.268 4.052 4.320 -0.000 0.000 0.209 670 K C 2.168 178.599 176.600 -0.281 0.000 1.048 670 K CA 2.016 58.076 56.287 -0.378 0.000 0.927 670 K CB -0.149 32.219 32.500 -0.220 0.000 0.712 670 K HN 0.245 nan 8.250 nan 0.000 0.441 671 K N 0.793 121.052 120.400 -0.234 0.000 2.009 671 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 671 K C 1.757 178.161 176.600 -0.327 0.000 1.049 671 K CA 1.931 58.138 56.287 -0.134 0.000 0.929 671 K CB -0.724 31.742 32.500 -0.057 0.000 0.714 671 K HN 0.266 nan 8.250 nan 0.000 0.440 672 A N 0.419 122.998 122.820 -0.402 0.000 2.015 672 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 672 A C 1.432 178.628 177.584 -0.646 0.000 1.163 672 A CA 1.575 53.317 52.037 -0.490 0.000 0.646 672 A CB -0.336 18.543 19.000 -0.201 0.000 0.806 672 A HN 0.443 nan 8.150 nan 0.000 0.448 673 N N 0.312 118.689 118.700 -0.539 0.000 2.238 673 N HA 0.072 4.811 4.740 -0.000 0.000 0.222 673 N C -0.593 174.740 175.510 -0.295 0.000 1.133 673 N CA -0.026 52.775 53.050 -0.414 0.000 0.854 673 N CB 0.364 38.560 38.487 -0.486 0.000 1.041 673 N HN 0.602 nan 8.380 nan 0.000 0.510 674 E N 1.477 121.496 120.200 -0.301 0.000 2.442 674 E HA -0.030 4.320 4.350 -0.000 0.000 0.262 674 E C -1.263 175.317 176.600 -0.033 0.000 1.004 674 E CA -1.250 55.089 56.400 -0.103 0.000 0.928 674 E CB 0.899 30.628 29.700 0.048 0.000 0.937 674 E HN 0.141 nan 8.360 nan 0.000 0.446 675 P HA -0.088 nan 4.420 nan 0.000 0.221 675 P C -0.118 177.208 177.300 0.043 0.000 1.150 675 P CA 0.861 63.963 63.100 0.003 0.000 0.800 675 P CB 0.388 32.084 31.700 -0.008 0.000 0.787 676 L N -0.181 121.086 121.223 0.075 0.000 2.457 676 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 676 L C -1.457 175.501 176.870 0.147 0.000 0.979 676 L CA -1.099 53.795 54.840 0.090 0.000 0.857 676 L CB 0.980 43.072 42.059 0.054 0.000 1.213 676 L HN -0.107 nan 8.230 nan 0.000 0.418 677 H N 3.782 122.877 119.070 0.043 0.000 2.679 677 H HA 0.643 5.199 4.556 -0.000 0.000 0.360 677 H C -1.470 173.906 175.328 0.080 0.000 1.105 677 H CA -0.488 55.595 56.048 0.058 0.000 1.196 677 H CB 1.889 31.683 29.762 0.053 0.000 1.636 677 H HN 0.619 nan 8.280 nan 0.000 0.531 678 I N 4.760 125.038 120.570 -0.486 0.000 2.412 678 I HA 0.340 4.510 4.170 -0.000 0.000 0.296 678 I C -1.162 174.701 176.117 -0.423 0.000 0.987 678 I CA -0.363 60.749 61.300 -0.312 0.000 1.180 678 I CB 0.888 38.824 38.000 -0.106 0.000 1.340 678 I HN 0.796 nan 8.210 nan 0.000 0.455 679 Q N 6.019 125.767 119.800 -0.086 0.000 2.456 679 Q HA 0.330 4.670 4.340 -0.000 0.000 0.284 679 Q C -2.004 174.044 176.000 0.080 0.000 1.061 679 Q CA -0.911 54.977 55.803 0.141 0.000 0.799 679 Q CB 2.309 31.228 28.738 0.302 0.000 1.445 679 Q HN 0.646 nan 8.270 nan 0.000 0.411 680 Y N 0.966 121.116 120.300 -0.251 0.000 2.331 680 Y HA 0.430 4.980 4.550 -0.000 0.000 0.338 680 Y C -1.014 174.600 175.900 -0.476 0.000 0.976 680 Y CA -0.475 57.261 58.100 -0.606 0.000 1.137 680 Y CB 1.941 39.592 38.460 -1.349 0.000 1.172 680 Y HN 0.725 nan 8.280 nan 0.000 0.478 681 S N 5.703 120.901 115.700 -0.836 0.000 2.448 681 S HA 0.056 4.526 4.470 -0.000 0.000 0.279 681 S C 0.554 174.466 174.600 -1.147 0.000 1.195 681 S CA -0.342 57.356 58.200 -0.837 0.000 1.051 681 S CB 0.108 62.953 63.200 -0.592 0.000 0.948 681 S HN 0.870 nan 8.310 nan 0.000 0.493 682 H N 2.006 120.516 119.070 -0.934 0.000 2.489 682 H HA -0.118 4.438 4.556 -0.000 0.000 0.293 682 H C 1.873 176.937 175.328 -0.440 0.000 1.066 682 H CA 1.833 57.588 56.048 -0.488 0.000 1.305 682 H CB 0.182 29.871 29.762 -0.123 0.000 1.386 682 H HN 0.671 nan 8.280 nan 0.000 0.551 683 D N 0.068 120.157 120.400 -0.519 0.000 2.144 683 D HA -0.118 4.522 4.640 -0.000 0.000 0.207 683 D C 1.296 177.468 176.300 -0.213 0.000 0.970 683 D CA 1.221 55.078 54.000 -0.239 0.000 0.853 683 D CB -0.470 40.257 40.800 -0.122 0.000 1.007 683 D HN 0.484 nan 8.370 nan 0.000 0.469 684 N N -0.503 118.021 118.700 -0.293 0.000 2.177 684 N HA 0.079 4.819 4.740 -0.000 0.000 0.218 684 N C 0.001 175.342 175.510 -0.281 0.000 1.182 684 N CA -0.265 52.654 53.050 -0.218 0.000 0.882 684 N CB 0.076 38.472 38.487 -0.152 0.000 1.052 684 N HN 0.147 nan 8.380 nan 0.000 0.519 685 R N -0.763 119.444 120.500 -0.488 0.000 4.000 685 R HA -0.174 4.166 4.340 -0.000 0.000 0.362 685 R C -0.540 175.470 176.300 -0.482 0.000 1.183 685 R CA 0.988 56.709 56.100 -0.630 0.000 1.011 685 R CB -2.988 27.195 30.300 -0.195 0.000 1.501 685 R HN 0.570 nan 8.270 nan 0.000 0.553 686 S N -0.208 115.254 115.700 -0.397 0.000 2.576 686 S HA 0.456 4.926 4.470 -0.000 0.000 0.276 686 S C 0.530 174.993 174.600 -0.229 0.000 1.339 686 S CA -0.799 57.264 58.200 -0.227 0.000 1.039 686 S CB 2.154 65.266 63.200 -0.147 0.000 0.902 686 S HN 0.104 nan 8.310 nan 0.000 0.516 687 V N 3.078 122.940 119.914 -0.087 0.000 2.370 687 V HA 0.512 4.632 4.120 -0.000 0.000 0.283 687 V C -0.377 175.711 176.094 -0.010 0.000 1.023 687 V CA -0.560 61.725 62.300 -0.025 0.000 0.857 687 V CB 1.225 33.073 31.823 0.042 0.000 0.985 687 V HN 0.839 nan 8.190 nan 0.000 0.443 688 V N 5.637 125.553 119.914 0.003 0.000 2.656 688 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 688 V C -0.354 175.765 176.094 0.041 0.000 1.051 688 V CA -0.667 61.650 62.300 0.029 0.000 0.893 688 V CB 2.375 34.229 31.823 0.051 0.000 0.999 688 V HN 0.568 nan 8.190 nan 0.000 0.426 689 V N 5.526 125.467 119.914 0.046 0.000 2.435 689 V HA 0.532 4.652 4.120 -0.000 0.000 0.290 689 V C -0.340 175.806 176.094 0.086 0.000 1.030 689 V CA -0.506 61.825 62.300 0.052 0.000 0.881 689 V CB 1.720 33.565 31.823 0.037 0.000 0.983 689 V HN 0.565 nan 8.190 nan 0.000 0.445 690 I N 4.014 124.657 120.570 0.122 0.000 2.433 690 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 690 I C -0.328 175.859 176.117 0.118 0.000 1.001 690 I CA -0.543 60.840 61.300 0.138 0.000 1.119 690 I CB 1.842 39.951 38.000 0.182 0.000 1.289 690 I HN 0.615 nan 8.210 nan 0.000 0.438 691 N N 5.484 124.240 118.700 0.095 0.000 2.518 691 N HA 0.212 4.952 4.740 -0.000 0.000 0.254 691 N C 0.465 176.013 175.510 0.063 0.000 0.979 691 N CA -0.288 52.804 53.050 0.070 0.000 0.930 691 N CB 1.223 39.743 38.487 0.056 0.000 1.152 691 N HN 0.325 nan 8.380 nan 0.000 0.505 692 Q N 0.533 120.360 119.800 0.044 0.000 2.432 692 Q HA 0.021 4.360 4.340 -0.000 0.000 0.205 692 Q C 0.549 176.554 176.000 0.008 0.000 0.945 692 Q CA 0.400 56.215 55.803 0.020 0.000 0.924 692 Q CB -0.318 28.413 28.738 -0.011 0.000 1.016 692 Q HN 0.793 nan 8.270 nan 0.000 0.503 693 T N -1.349 113.209 114.554 0.006 0.000 2.726 693 T HA 0.121 4.471 4.350 -0.000 0.000 0.294 693 T C 1.303 175.991 174.700 -0.019 0.000 1.013 693 T CA 0.128 62.219 62.100 -0.016 0.000 0.996 693 T CB 0.924 69.780 68.868 -0.019 0.000 1.016 693 T HN 0.141 nan 8.240 nan 0.000 0.529 694 S N -0.054 115.615 115.700 -0.053 0.000 2.593 694 S HA 0.129 4.599 4.470 -0.000 0.000 0.217 694 S C 0.352 174.917 174.600 -0.059 0.000 0.966 694 S CA -0.640 57.519 58.200 -0.069 0.000 0.914 694 S CB -0.507 62.605 63.200 -0.148 0.000 0.776 694 S HN 0.677 nan 8.310 nan 0.000 0.523 695 N N 1.788 120.463 118.700 -0.042 0.000 2.321 695 N HA 0.559 5.299 4.740 -0.000 0.000 0.299 695 N C -0.668 174.837 175.510 -0.008 0.000 1.048 695 N CA -0.290 52.742 53.050 -0.030 0.000 0.836 695 N CB 1.829 40.293 38.487 -0.038 0.000 1.269 695 N HN 0.299 nan 8.380 nan 0.000 0.486 696 A N 1.365 124.184 122.820 -0.002 0.000 2.540 696 A HA 0.300 4.619 4.320 -0.000 0.000 0.239 696 A C 0.108 177.694 177.584 0.005 0.000 1.061 696 A CA 0.074 52.116 52.037 0.008 0.000 0.758 696 A CB 0.132 19.137 19.000 0.009 0.000 0.991 696 A HN 0.413 nan 8.150 nan 0.000 0.502 697 V N 2.458 122.378 119.914 0.011 0.000 2.680 697 V HA 0.686 4.806 4.120 -0.000 0.000 0.309 697 V C 0.362 176.463 176.094 0.011 0.000 1.052 697 V CA 0.151 62.457 62.300 0.009 0.000 0.908 697 V CB 1.770 33.600 31.823 0.013 0.000 1.001 697 V HN 1.289 nan 8.190 nan 0.000 0.431 698 S N 1.746 117.450 115.700 0.008 0.000 2.740 698 S HA 0.813 5.283 4.470 -0.000 0.000 0.300 698 S C 0.580 175.184 174.600 0.006 0.000 1.147 698 S CA -0.050 58.155 58.200 0.007 0.000 0.871 698 S CB 1.702 64.905 63.200 0.005 0.000 1.173 698 S HN 2.399 nan 8.310 nan 0.000 0.510 699 G N 0.158 108.961 108.800 0.005 0.000 2.273 699 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.280 699 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.280 699 G C -0.325 174.578 174.900 0.005 0.000 1.047 699 G CA 0.480 45.582 45.100 0.004 0.000 0.869 699 G HN 0.803 nan 8.290 nan 0.000 0.502 700 L N 0.370 121.598 121.223 0.007 0.000 2.334 700 L HA 0.693 5.033 4.340 -0.000 0.000 0.277 700 L C 0.878 177.752 176.870 0.007 0.000 1.075 700 L CA -0.193 54.653 54.840 0.009 0.000 0.804 700 L CB 1.920 43.987 42.059 0.013 0.000 1.174 700 L HN 0.301 nan 8.230 nan 0.000 0.438 701 T N 1.425 115.982 114.554 0.005 0.000 2.807 701 T HA 0.724 5.074 4.350 -0.000 0.000 0.279 701 T C -0.542 174.160 174.700 0.003 0.000 0.993 701 T CA -0.602 61.499 62.100 0.002 0.000 0.970 701 T CB 1.466 70.332 68.868 -0.003 0.000 0.950 701 T HN 0.665 nan 8.240 nan 0.000 0.441 702 A N 3.960 126.781 122.820 0.003 0.000 2.271 702 A HA 0.661 4.981 4.320 -0.000 0.000 0.317 702 A C 0.295 177.879 177.584 -0.001 0.000 1.245 702 A CA -0.633 51.407 52.037 0.005 0.000 0.857 702 A CB 0.641 19.648 19.000 0.011 0.000 1.175 702 A HN 0.855 nan 8.150 nan 0.000 0.512 703 T N 2.012 116.563 114.554 -0.005 0.000 2.779 703 T HA 0.612 4.962 4.350 -0.000 0.000 0.280 703 T C -0.060 174.635 174.700 -0.009 0.000 0.987 703 T CA -0.135 61.953 62.100 -0.020 0.000 0.966 703 T CB 1.211 70.059 68.868 -0.032 0.000 0.933 703 T HN 0.847 nan 8.240 nan 0.000 0.442 704 T N 3.135 117.686 114.554 -0.004 0.000 2.879 704 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 704 T C -1.230 173.481 174.700 0.018 0.000 0.993 704 T CA -0.818 61.304 62.100 0.038 0.000 0.975 704 T CB 0.706 69.642 68.868 0.114 0.000 0.981 704 T HN 0.457 nan 8.240 nan 0.000 0.439 705 K N 3.903 124.295 120.400 -0.012 0.000 2.427 705 K HA 0.574 4.894 4.320 -0.000 0.000 0.252 705 K C -0.988 175.568 176.600 -0.073 0.000 0.931 705 K CA -0.883 55.330 56.287 -0.123 0.000 0.793 705 K CB 2.385 34.712 32.500 -0.289 0.000 1.211 705 K HN 0.544 nan 8.250 nan 0.000 0.426 706 L N 3.356 124.516 121.223 -0.104 0.000 2.317 706 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 706 L C -1.058 175.688 176.870 -0.207 0.000 1.024 706 L CA -0.899 53.933 54.840 -0.014 0.000 0.810 706 L CB 0.592 42.670 42.059 0.032 0.000 1.240 706 L HN 0.535 nan 8.230 nan 0.000 0.427 707 Y N 0.999 121.406 120.300 0.178 0.000 2.499 707 Y HA 0.364 4.914 4.550 -0.000 0.000 0.347 707 Y C 0.285 176.300 175.900 0.191 0.000 0.987 707 Y CA -1.015 57.202 58.100 0.195 0.000 1.044 707 Y CB 1.568 40.225 38.460 0.329 0.000 1.245 707 Y HN 0.500 nan 8.280 nan 0.000 0.461 708 N N 1.095 119.965 118.700 0.284 0.000 2.381 708 N HA 0.232 4.972 4.740 -0.000 0.000 0.254 708 N C 0.842 176.470 175.510 0.197 0.000 1.264 708 N CA -0.251 52.922 53.050 0.204 0.000 0.942 708 N CB 0.710 39.268 38.487 0.119 0.000 1.190 708 N HN 0.693 nan 8.380 nan 0.000 0.495 709 L N 0.201 121.498 121.223 0.123 0.000 2.465 709 L HA -0.101 4.239 4.340 -0.000 0.000 0.224 709 L C 1.002 177.898 176.870 0.045 0.000 1.145 709 L CA 0.806 55.680 54.840 0.056 0.000 0.834 709 L CB -0.385 41.687 42.059 0.022 0.000 0.944 709 L HN 0.569 nan 8.230 nan 0.000 0.451 710 D N -0.812 119.631 120.400 0.071 0.000 2.349 710 D HA 0.010 4.650 4.640 -0.000 0.000 0.215 710 D C 1.449 177.799 176.300 0.083 0.000 1.016 710 D CA 0.848 54.884 54.000 0.060 0.000 0.870 710 D CB 0.249 41.083 40.800 0.056 0.000 0.917 710 D HN 0.194 nan 8.370 nan 0.000 0.524 711 G N -0.712 108.173 108.800 0.141 0.000 2.179 711 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 711 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 711 G C 0.274 175.384 174.900 0.350 0.000 0.990 711 G CA 0.098 45.326 45.100 0.214 0.000 0.646 711 G HN 0.410 nan 8.290 nan 0.000 0.517 712 T N 1.382 116.089 114.554 0.254 0.000 2.834 712 T HA 0.394 4.744 4.350 -0.000 0.000 0.298 712 T C 0.380 175.200 174.700 0.200 0.000 0.966 712 T CA 0.410 62.626 62.100 0.193 0.000 1.141 712 T CB 1.584 70.513 68.868 0.103 0.000 0.905 712 T HN 0.463 nan 8.240 nan 0.000 0.535 713 E N 2.379 122.634 120.200 0.092 0.000 2.316 713 E HA 0.101 4.451 4.350 -0.000 0.000 0.275 713 E C 0.376 176.883 176.600 -0.157 0.000 1.029 713 E CA -0.556 55.702 56.400 -0.236 0.000 0.871 713 E CB 0.423 29.942 29.700 -0.301 0.000 1.022 713 E HN 0.363 nan 8.360 nan 0.000 0.418 714 K N 3.219 123.506 120.400 -0.189 0.000 2.425 714 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 714 K C -0.700 175.885 176.600 -0.025 0.000 1.128 714 K CA 0.033 56.267 56.287 -0.087 0.000 1.000 714 K CB 0.730 33.184 32.500 -0.077 0.000 0.961 714 K HN 0.551 nan 8.250 nan 0.000 0.555 715 Y N -0.378 119.792 120.300 -0.216 0.000 2.552 715 Y HA 0.459 5.009 4.550 -0.000 0.000 0.337 715 Y C -1.620 174.163 175.900 -0.195 0.000 1.094 715 Y CA -0.862 57.136 58.100 -0.170 0.000 1.028 715 Y CB 2.036 40.412 38.460 -0.140 0.000 1.321 715 Y HN -0.162 nan 8.280 nan 0.000 0.456 716 S N 4.078 119.216 115.700 -0.937 0.000 2.546 716 S HA 0.624 5.094 4.470 -0.000 0.000 0.272 716 S C -2.117 171.981 174.600 -0.837 0.000 1.140 716 S CA -0.604 57.187 58.200 -0.683 0.000 0.920 716 S CB 1.209 64.179 63.200 -0.383 0.000 1.083 716 S HN 0.804 nan 8.310 nan 0.000 0.476 717 N N 1.090 119.512 118.700 -0.464 0.000 2.324 717 N HA 0.562 5.301 4.740 -0.000 0.000 0.285 717 N C -1.881 173.556 175.510 -0.121 0.000 1.076 717 N CA -0.262 52.634 53.050 -0.258 0.000 0.864 717 N CB 2.161 40.590 38.487 -0.097 0.000 1.632 717 N HN 0.419 nan 8.380 nan 0.000 0.478 718 T N 2.012 116.511 114.554 -0.091 0.000 2.840 718 T HA 0.394 4.744 4.350 -0.000 0.000 0.287 718 T C -1.081 173.599 174.700 -0.034 0.000 0.991 718 T CA -0.414 61.653 62.100 -0.055 0.000 0.964 718 T CB 0.937 69.770 68.868 -0.058 0.000 0.954 718 T HN 0.405 nan 8.240 nan 0.000 0.438 719 K N 3.033 123.423 120.400 -0.017 0.000 2.450 719 K HA 0.573 4.893 4.320 -0.000 0.000 0.257 719 K C 0.037 176.634 176.600 -0.005 0.000 0.953 719 K CA -0.493 55.789 56.287 -0.007 0.000 0.844 719 K CB 0.746 33.248 32.500 0.004 0.000 1.103 719 K HN 0.673 nan 8.250 nan 0.000 0.429 720 T N 0.269 114.819 114.554 -0.006 0.000 2.944 720 T HA 0.591 4.941 4.350 -0.000 0.000 0.284 720 T C 0.798 175.497 174.700 -0.001 0.000 1.010 720 T CA -0.191 61.906 62.100 -0.005 0.000 1.025 720 T CB 1.419 70.283 68.868 -0.007 0.000 1.079 720 T HN 1.032 nan 8.240 nan 0.000 0.516 721 G N 0.611 109.411 108.800 0.000 0.000 2.221 721 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.265 721 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.265 721 G C -0.082 174.821 174.900 0.004 0.000 1.041 721 G CA 0.117 45.218 45.100 0.002 0.000 0.807 721 G HN 0.887 nan 8.290 nan 0.000 0.502 722 L N 1.445 122.672 121.223 0.006 0.000 2.360 722 L HA 0.491 4.831 4.340 -0.000 0.000 0.276 722 L C 1.036 177.913 176.870 0.011 0.000 1.121 722 L CA 0.284 55.130 54.840 0.010 0.000 0.845 722 L CB 1.137 43.203 42.059 0.012 0.000 1.143 722 L HN 0.455 nan 8.230 nan 0.000 0.452 723 S N 3.093 118.800 115.700 0.012 0.000 2.532 723 S HA 0.781 5.251 4.470 -0.000 0.000 0.301 723 S C -0.710 173.902 174.600 0.019 0.000 1.083 723 S CA -0.837 57.372 58.200 0.014 0.000 1.025 723 S CB 2.380 65.587 63.200 0.011 0.000 1.056 723 S HN 0.390 nan 8.310 nan 0.000 0.494 724 V N 1.568 121.496 119.914 0.023 0.000 2.733 724 V HA 0.786 4.906 4.120 -0.000 0.000 0.306 724 V C 0.424 176.538 176.094 0.033 0.000 1.084 724 V CA 0.013 62.332 62.300 0.031 0.000 0.905 724 V CB 1.462 33.309 31.823 0.040 0.000 1.010 724 V HN 1.334 nan 8.190 nan 0.000 0.424 725 G N 3.929 112.751 108.800 0.036 0.000 2.684 725 G HA2 0.590 4.550 3.960 -0.000 0.000 0.255 725 G HA3 0.590 4.550 3.960 -0.000 0.000 0.255 725 G C 0.288 175.217 174.900 0.048 0.000 1.219 725 G CA -0.006 45.116 45.100 0.037 0.000 0.901 725 G HN 1.631 nan 8.290 nan 0.000 0.548 726 A N -0.988 121.860 122.820 0.046 0.000 2.313 726 A HA 0.560 4.880 4.320 -0.000 0.000 0.261 726 A C 0.948 178.582 177.584 0.083 0.000 1.090 726 A CA -0.330 51.736 52.037 0.048 0.000 0.807 726 A CB -0.021 18.996 19.000 0.029 0.000 1.055 726 A HN 1.485 nan 8.150 nan 0.000 0.492 727 L N -0.266 121.002 121.223 0.075 0.000 3.660 727 L HA -0.294 4.045 4.340 -0.000 0.000 0.440 727 L C 1.165 178.138 176.870 0.171 0.000 1.262 727 L CA 0.725 55.626 54.840 0.102 0.000 0.837 727 L CB -2.031 40.099 42.059 0.118 0.000 1.689 727 L HN 1.947 nan 8.230 nan 0.000 0.890 728 G N -2.087 106.802 108.800 0.148 0.000 2.179 728 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 728 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 728 G C 0.450 175.517 174.900 0.278 0.000 0.990 728 G CA -0.016 45.211 45.100 0.212 0.000 0.646 728 G HN 1.307 nan 8.290 nan 0.000 0.517 729 A N 0.166 123.101 122.820 0.191 0.000 2.386 729 A HA 0.652 4.972 4.320 -0.000 0.000 0.246 729 A C 0.644 178.295 177.584 0.112 0.000 1.089 729 A CA 1.186 53.300 52.037 0.129 0.000 0.790 729 A CB 0.309 19.357 19.000 0.080 0.000 1.042 729 A HN 1.368 nan 8.150 nan 0.000 0.497 730 K N -0.701 119.751 120.400 0.087 0.000 2.433 730 K HA 0.843 5.162 4.320 -0.000 0.000 0.252 730 K C -0.948 175.684 176.600 0.055 0.000 1.015 730 K CA -0.498 55.838 56.287 0.081 0.000 0.860 730 K CB 2.242 34.797 32.500 0.092 0.000 1.359 730 K HN 1.129 nan 8.250 nan 0.000 0.452 731 A N 0.745 123.595 122.820 0.049 0.000 2.520 731 A HA 0.511 4.831 4.320 -0.000 0.000 0.298 731 A C -1.142 176.458 177.584 0.027 0.000 1.051 731 A CA -0.812 51.244 52.037 0.033 0.000 0.690 731 A CB 1.877 20.894 19.000 0.027 0.000 1.281 731 A HN 0.607 nan 8.150 nan 0.000 0.402 732 T N 2.157 116.722 114.554 0.017 0.000 2.749 732 T HA 0.459 4.809 4.350 -0.000 0.000 0.295 732 T C 1.393 176.098 174.700 0.010 0.000 0.936 732 T CA 0.421 62.526 62.100 0.009 0.000 1.060 732 T CB 1.375 70.242 68.868 -0.001 0.000 0.904 732 T HN 1.008 nan 8.240 nan 0.000 0.500 733 A N 3.927 126.754 122.820 0.012 0.000 1.878 733 A HA 0.476 4.796 4.320 -0.000 0.000 0.213 733 A C 0.869 178.466 177.584 0.022 0.000 1.192 733 A CA 0.536 52.583 52.037 0.017 0.000 0.619 733 A CB 0.242 19.255 19.000 0.021 0.000 0.837 733 A HN 0.635 nan 8.150 nan 0.000 0.446 734 V N -1.736 118.192 119.914 0.024 0.000 3.177 734 V HA 0.427 4.546 4.120 -0.000 0.000 0.287 734 V C -1.544 174.555 176.094 0.008 0.000 1.465 734 V CA -0.482 61.839 62.300 0.036 0.000 1.020 734 V CB 2.045 33.922 31.823 0.091 0.000 1.152 734 V HN 0.177 nan 8.190 nan 0.000 0.448 735 T N 4.172 118.722 114.554 -0.008 0.000 2.743 735 T HA 0.443 4.793 4.350 -0.000 0.000 0.292 735 T C -0.303 174.355 174.700 -0.071 0.000 0.972 735 T CA -0.199 61.869 62.100 -0.053 0.000 0.967 735 T CB 1.072 69.902 68.868 -0.063 0.000 0.926 735 T HN 0.640 nan 8.240 nan 0.000 0.459 736 V N 8.330 128.174 119.914 -0.117 0.000 2.458 736 V HA 0.108 4.227 4.120 -0.000 0.000 0.287 736 V C -1.271 174.674 176.094 -0.248 0.000 1.009 736 V CA -1.147 60.969 62.300 -0.307 0.000 1.091 736 V CB -0.401 31.254 31.823 -0.279 0.000 0.960 736 V HN 0.712 nan 8.190 nan 0.000 0.476 737 P HA 0.222 nan 4.420 nan 0.000 0.275 737 P C -0.439 176.761 177.300 -0.167 0.000 1.266 737 P CA -0.493 62.516 63.100 -0.152 0.000 0.793 737 P CB 0.766 32.416 31.700 -0.083 0.000 1.074 738 A N 0.674 123.433 122.820 -0.103 0.000 2.491 738 A HA 0.297 4.617 4.320 -0.000 0.000 0.261 738 A C 0.137 177.658 177.584 -0.103 0.000 1.101 738 A CA -0.081 51.899 52.037 -0.094 0.000 0.772 738 A CB -0.786 18.179 19.000 -0.059 0.000 1.043 738 A HN 0.309 nan 8.150 nan 0.000 0.501 739 V N 3.763 123.593 119.914 -0.140 0.000 2.398 739 V HA 0.276 4.396 4.120 -0.000 0.000 0.286 739 V C 0.626 176.651 176.094 -0.115 0.000 1.026 739 V CA -0.467 61.760 62.300 -0.122 0.000 0.868 739 V CB 1.519 33.245 31.823 -0.162 0.000 0.982 739 V HN 0.951 nan 8.190 nan 0.000 0.443 740 S N 2.891 118.547 115.700 -0.073 0.000 2.585 740 S HA 0.473 4.943 4.470 -0.000 0.000 0.273 740 S C 1.265 175.821 174.600 -0.073 0.000 1.339 740 S CA 0.460 58.622 58.200 -0.063 0.000 1.028 740 S CB 1.008 64.186 63.200 -0.038 0.000 0.906 740 S HN 1.653 nan 8.310 nan 0.000 0.528 741 G N 0.647 109.410 108.800 -0.063 0.000 2.148 741 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 741 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 741 G C -0.052 174.805 174.900 -0.072 0.000 0.981 741 G CA -0.097 44.972 45.100 -0.052 0.000 0.670 741 G HN 0.557 nan 8.290 nan 0.000 0.528 742 L N 1.801 122.945 121.223 -0.132 0.000 2.426 742 L HA 0.422 4.762 4.340 -0.000 0.000 0.271 742 L C 1.549 178.383 176.870 -0.060 0.000 1.169 742 L CA 0.094 54.823 54.840 -0.185 0.000 0.836 742 L CB 0.858 42.623 42.059 -0.490 0.000 1.112 742 L HN 0.441 nan 8.230 nan 0.000 0.465 743 S N 0.577 116.286 115.700 0.015 0.000 2.584 743 S HA 0.069 4.539 4.470 -0.000 0.000 0.270 743 S C 1.133 175.813 174.600 0.134 0.000 1.346 743 S CA -0.490 57.754 58.200 0.073 0.000 1.018 743 S CB 1.114 64.370 63.200 0.093 0.000 0.899 743 S HN 0.669 nan 8.310 nan 0.000 0.542 744 T N 1.570 116.188 114.554 0.107 0.000 2.684 744 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 744 T C 0.719 175.514 174.700 0.158 0.000 1.036 744 T CA 1.696 63.866 62.100 0.118 0.000 1.148 744 T CB -0.529 68.382 68.868 0.071 0.000 0.863 744 T HN 0.791 nan 8.240 nan 0.000 0.436 745 T N 2.231 116.858 114.554 0.123 0.000 2.795 745 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 745 T C -0.785 174.012 174.700 0.162 0.000 0.980 745 T CA -0.788 61.363 62.100 0.084 0.000 1.012 745 T CB 0.761 69.634 68.868 0.009 0.000 0.936 745 T HN 0.459 nan 8.240 nan 0.000 0.457 746 Y N 0.695 121.009 120.300 0.023 0.000 2.677 746 Y HA 0.820 5.370 4.550 -0.000 0.000 0.334 746 Y C -1.836 174.100 175.900 0.061 0.000 1.154 746 Y CA -1.875 56.248 58.100 0.039 0.000 1.070 746 Y CB 1.118 39.600 38.460 0.037 0.000 1.294 746 Y HN 0.415 nan 8.280 nan 0.000 0.475 747 L N 2.340 123.717 121.223 0.256 0.000 2.329 747 L HA 0.867 5.207 4.340 -0.000 0.000 0.279 747 L C -0.493 176.556 176.870 0.299 0.000 1.014 747 L CA -1.289 53.692 54.840 0.235 0.000 0.814 747 L CB 1.986 44.259 42.059 0.357 0.000 1.257 747 L HN 0.898 nan 8.230 nan 0.000 0.424 748 A N 3.349 126.258 122.820 0.149 0.000 2.287 748 A HA 0.515 4.835 4.320 -0.000 0.000 0.317 748 A C -0.636 177.045 177.584 0.162 0.000 1.220 748 A CA -0.567 51.507 52.037 0.061 0.000 0.835 748 A CB 0.872 19.674 19.000 -0.330 0.000 1.180 748 A HN 0.656 nan 8.150 nan 0.000 0.500 749 K N 3.475 123.943 120.400 0.113 0.000 2.367 749 K HA 0.277 4.597 4.320 -0.000 0.000 0.263 749 K C -1.009 175.605 176.600 0.025 0.000 1.000 749 K CA -0.238 56.068 56.287 0.033 0.000 0.891 749 K CB 0.453 32.766 32.500 -0.312 0.000 1.117 749 K HN 0.891 nan 8.250 nan 0.000 0.443 750 N N 2.699 121.453 118.700 0.090 0.000 2.400 750 N HA 0.360 5.100 4.740 -0.000 0.000 0.288 750 N C -1.368 174.173 175.510 0.051 0.000 1.024 750 N CA -0.787 52.306 53.050 0.072 0.000 0.894 750 N CB 2.156 40.713 38.487 0.116 0.000 1.173 750 N HN 0.095 nan 8.380 nan 0.000 0.487 751 V N 2.651 122.578 119.914 0.022 0.000 2.686 751 V HA 0.347 4.467 4.120 -0.000 0.000 0.306 751 V C -0.907 175.194 176.094 0.012 0.000 1.065 751 V CA -0.735 61.576 62.300 0.019 0.000 0.894 751 V CB 2.023 33.852 31.823 0.009 0.000 1.004 751 V HN 0.456 nan 8.190 nan 0.000 0.424 752 L N 5.048 126.280 121.223 0.015 0.000 2.313 752 L HA 0.869 5.209 4.340 -0.000 0.000 0.283 752 L C 0.228 177.108 176.870 0.018 0.000 1.013 752 L CA 0.355 55.203 54.840 0.013 0.000 0.816 752 L CB 1.900 43.965 42.059 0.010 0.000 1.236 752 L HN 0.926 nan 8.230 nan 0.000 0.419 753 T N 0.276 114.838 114.554 0.014 0.000 2.887 753 T HA 0.701 5.051 4.350 -0.000 0.000 0.288 753 T C -0.378 174.330 174.700 0.013 0.000 1.021 753 T CA -0.807 61.301 62.100 0.014 0.000 1.000 753 T CB 1.448 70.322 68.868 0.011 0.000 1.034 753 T HN 0.613 nan 8.240 nan 0.000 0.467 754 D N 1.053 121.461 120.400 0.013 0.000 2.478 754 D HA 0.247 4.887 4.640 -0.000 0.000 0.269 754 D C 1.694 177.999 176.300 0.007 0.000 1.232 754 D CA -0.190 53.816 54.000 0.011 0.000 1.059 754 D CB 0.197 41.003 40.800 0.011 0.000 1.104 754 D HN 0.539 nan 8.370 nan 0.000 0.566 755 S N -1.028 114.675 115.700 0.006 0.000 2.419 755 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 755 S C 1.684 176.286 174.600 0.003 0.000 1.019 755 S CA 1.159 59.361 58.200 0.003 0.000 0.982 755 S CB -0.982 62.219 63.200 0.002 0.000 0.789 755 S HN 0.601 nan 8.310 nan 0.000 0.490 756 S N 0.186 115.888 115.700 0.004 0.000 2.593 756 S HA 0.457 4.927 4.470 -0.000 0.000 0.217 756 S C 1.495 176.098 174.600 0.005 0.000 0.966 756 S CA 0.440 58.642 58.200 0.003 0.000 0.914 756 S CB -0.567 62.635 63.200 0.003 0.000 0.776 756 S HN 1.527 nan 8.310 nan 0.000 0.523 757 G N 1.116 109.919 108.800 0.006 0.000 2.157 757 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.248 757 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.248 757 G C -0.090 174.816 174.900 0.010 0.000 0.979 757 G CA 0.299 45.403 45.100 0.007 0.000 0.650 757 G HN 0.770 nan 8.290 nan 0.000 0.529 758 K N 0.993 121.400 120.400 0.012 0.000 2.205 758 K HA 0.428 4.748 4.320 -0.000 0.000 0.279 758 K C 0.244 176.856 176.600 0.019 0.000 1.027 758 K CA -0.498 55.798 56.287 0.015 0.000 0.932 758 K CB 0.522 33.031 32.500 0.014 0.000 1.032 758 K HN 0.256 nan 8.250 nan 0.000 0.466 759 E N 4.065 124.279 120.200 0.024 0.000 2.129 759 E HA 0.030 4.380 4.350 -0.000 0.000 0.283 759 E C 0.554 177.174 176.600 0.034 0.000 1.080 759 E CA -0.431 55.987 56.400 0.029 0.000 0.867 759 E CB 0.700 30.420 29.700 0.034 0.000 1.056 759 E HN 0.561 nan 8.360 nan 0.000 0.404 760 V N 1.137 121.073 119.914 0.035 0.000 3.307 760 V HA 0.235 4.355 4.120 -0.000 0.000 0.253 760 V C 0.599 176.729 176.094 0.059 0.000 1.149 760 V CA 0.191 62.516 62.300 0.042 0.000 1.112 760 V CB 0.732 32.577 31.823 0.037 0.000 0.777 760 V HN 0.368 nan 8.190 nan 0.000 0.464 761 S N 0.433 116.168 115.700 0.057 0.000 2.572 761 S HA 0.637 5.106 4.470 -0.000 0.000 0.274 761 S C -0.893 173.744 174.600 0.062 0.000 1.150 761 S CA -0.759 57.485 58.200 0.074 0.000 0.944 761 S CB 1.815 65.052 63.200 0.061 0.000 1.071 761 S HN 0.692 nan 8.310 nan 0.000 0.479 762 R N 3.202 123.755 120.500 0.088 0.000 2.599 762 R HA 0.627 4.967 4.340 -0.000 0.000 0.295 762 R C -1.722 174.662 176.300 0.141 0.000 0.963 762 R CA -0.559 55.602 56.100 0.101 0.000 0.883 762 R CB 1.151 31.514 30.300 0.105 0.000 1.171 762 R HN 0.571 nan 8.270 nan 0.000 0.450 763 N N 3.262 122.059 118.700 0.161 0.000 2.572 763 N HA 0.239 4.979 4.740 -0.000 0.000 0.287 763 N C -1.990 173.673 175.510 0.255 0.000 1.136 763 N CA -0.308 52.864 53.050 0.203 0.000 0.900 763 N CB 2.188 40.802 38.487 0.211 0.000 1.484 763 N HN 0.301 nan 8.380 nan 0.000 0.526 764 V N 4.378 124.431 119.914 0.233 0.000 2.417 764 V HA 0.494 4.614 4.120 -0.000 0.000 0.291 764 V C -0.829 175.362 176.094 0.162 0.000 1.024 764 V CA -0.502 62.004 62.300 0.343 0.000 0.861 764 V CB 0.896 33.030 31.823 0.519 0.000 0.985 764 V HN 0.471 nan 8.190 nan 0.000 0.436 765 Y N 2.852 123.198 120.300 0.077 0.000 2.352 765 Y HA 0.496 5.046 4.550 -0.000 0.000 0.339 765 Y C -0.100 175.753 175.900 -0.077 0.000 0.992 765 Y CA -0.788 57.191 58.100 -0.201 0.000 1.100 765 Y CB 1.436 39.698 38.460 -0.330 0.000 1.192 765 Y HN 0.786 nan 8.280 nan 0.000 0.458 766 W N 4.433 125.771 121.300 0.064 0.000 2.316 766 W HA 0.751 5.411 4.660 -0.000 0.000 0.308 766 W C -1.826 174.604 176.519 -0.149 0.000 1.106 766 W CA -0.805 56.464 57.345 -0.127 0.000 1.262 766 W CB 0.080 29.440 29.460 -0.166 0.000 1.233 766 W HN 0.213 nan 8.180 nan 0.000 0.447 767 L N 3.206 124.227 121.223 -0.337 0.000 2.279 767 L HA 0.731 5.071 4.340 -0.000 0.000 0.262 767 L C 0.074 176.650 176.870 -0.489 0.000 1.019 767 L CA -1.188 53.336 54.840 -0.527 0.000 0.823 767 L CB 2.120 43.608 42.059 -0.951 0.000 1.358 767 L HN 0.520 nan 8.230 nan 0.000 0.432 768 S N -1.621 113.956 115.700 -0.204 0.000 2.548 768 S HA 0.324 4.794 4.470 -0.000 0.000 0.286 768 S C 0.550 175.283 174.600 0.221 0.000 1.098 768 S CA -0.182 58.041 58.200 0.038 0.000 0.930 768 S CB 1.658 64.876 63.200 0.030 0.000 1.070 768 S HN 0.762 nan 8.310 nan 0.000 0.480 769 T N 0.642 115.360 114.554 0.273 0.000 3.085 769 T HA 0.160 4.510 4.350 -0.000 0.000 0.263 769 T C 0.556 175.325 174.700 0.114 0.000 1.127 769 T CA 0.567 62.786 62.100 0.198 0.000 1.103 769 T CB -0.233 68.709 68.868 0.123 0.000 0.921 769 T HN 0.449 nan 8.240 nan 0.000 0.510 770 K N 1.483 121.943 120.400 0.100 0.000 2.240 770 K HA 0.636 4.956 4.320 -0.000 0.000 0.271 770 K C -0.551 176.092 176.600 0.072 0.000 1.018 770 K CA -0.732 55.600 56.287 0.075 0.000 0.874 770 K CB 1.100 33.641 32.500 0.069 0.000 1.098 770 K HN 0.252 nan 8.250 nan 0.000 0.458 771 A N 4.010 126.866 122.820 0.059 0.000 2.316 771 A HA 0.219 4.539 4.320 -0.000 0.000 0.284 771 A C -0.603 176.994 177.584 0.022 0.000 1.115 771 A CA -0.647 51.419 52.037 0.048 0.000 0.812 771 A CB 0.389 19.413 19.000 0.039 0.000 1.064 771 A HN 0.813 nan 8.150 nan 0.000 0.489 772 D N 1.679 122.084 120.400 0.008 0.000 2.390 772 D HA 0.371 5.011 4.640 -0.000 0.000 0.249 772 D C 0.369 176.616 176.300 -0.088 0.000 1.144 772 D CA 0.969 54.934 54.000 -0.060 0.000 0.880 772 D CB 1.040 41.812 40.800 -0.046 0.000 1.182 772 D HN 0.666 nan 8.370 nan 0.000 0.451 773 T N -0.939 113.517 114.554 -0.163 0.000 2.906 773 T HA 0.662 5.012 4.350 -0.000 0.000 0.295 773 T C -0.371 174.142 174.700 -0.312 0.000 1.075 773 T CA -0.942 61.054 62.100 -0.174 0.000 1.005 773 T CB 1.151 69.956 68.868 -0.105 0.000 1.136 773 T HN 0.129 nan 8.240 nan 0.000 0.498 774 L N 2.235 123.203 121.223 -0.424 0.000 2.322 774 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 774 L C 0.189 176.667 176.870 -0.653 0.000 1.014 774 L CA -0.939 53.459 54.840 -0.735 0.000 0.815 774 L CB 1.491 42.679 42.059 -1.451 0.000 1.247 774 L HN 0.708 nan 8.230 nan 0.000 0.421 775 N N 1.994 120.404 118.700 -0.482 0.000 2.807 775 N HA 0.048 4.788 4.740 -0.000 0.000 0.259 775 N C 0.474 175.831 175.510 -0.255 0.000 1.149 775 N CA -0.019 52.864 53.050 -0.278 0.000 1.042 775 N CB 0.162 38.548 38.487 -0.169 0.000 1.367 775 N HN 0.492 nan 8.380 nan 0.000 0.516 776 W N 1.965 123.223 121.300 -0.070 0.000 2.335 776 W HA -0.022 4.638 4.660 -0.000 0.000 0.311 776 W C 2.304 178.781 176.519 -0.070 0.000 1.213 776 W CA 0.832 58.134 57.345 -0.071 0.000 1.274 776 W CB -0.373 29.050 29.460 -0.062 0.000 1.148 776 W HN 0.541 nan 8.180 nan 0.000 0.498 777 G N 0.021 108.926 108.800 0.175 0.000 2.479 777 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 777 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 777 G C 1.551 176.474 174.900 0.038 0.000 1.115 777 G CA 1.034 46.190 45.100 0.093 0.000 0.757 777 G HN 0.412 nan 8.290 nan 0.000 0.560 778 G N -0.045 108.748 108.800 -0.011 0.000 3.141 778 G HA2 0.298 4.258 3.960 -0.000 0.000 0.218 778 G HA3 0.298 4.258 3.960 -0.000 0.000 0.218 778 G C 0.618 175.426 174.900 -0.154 0.000 1.170 778 G CA 0.047 45.112 45.100 -0.058 0.000 0.769 778 G HN 0.309 nan 8.290 nan 0.000 0.546 779 S N 0.825 116.449 115.700 -0.126 0.000 2.560 779 S HA 0.151 4.621 4.470 -0.000 0.000 0.284 779 S C -0.049 174.449 174.600 -0.170 0.000 1.327 779 S CA -0.063 58.012 58.200 -0.208 0.000 1.055 779 S CB 1.333 64.537 63.200 0.008 0.000 0.868 779 S HN 0.341 nan 8.310 nan 0.000 0.506 780 D N 0.856 121.064 120.400 -0.321 0.000 2.487 780 D HA 0.198 4.838 4.640 -0.000 0.000 0.262 780 D C 1.236 177.528 176.300 -0.013 0.000 1.130 780 D CA -0.732 53.197 54.000 -0.119 0.000 1.038 780 D CB 0.611 41.278 40.800 -0.221 0.000 1.142 780 D HN 0.753 nan 8.370 nan 0.000 0.575 781 W N 1.446 122.838 121.300 0.152 0.000 2.364 781 W HA -0.197 4.463 4.660 -0.000 0.000 0.281 781 W C 0.790 177.530 176.519 0.367 0.000 1.219 781 W CA 0.678 58.172 57.345 0.248 0.000 1.220 781 W CB -0.779 28.853 29.460 0.288 0.000 1.127 781 W HN 0.437 nan 8.180 nan 0.000 0.556 782 Y N -0.938 119.111 120.300 -0.418 0.000 2.481 782 Y HA 0.411 4.961 4.550 -0.000 0.000 0.247 782 Y C -0.208 175.740 175.900 0.079 0.000 1.151 782 Y CA -0.909 56.992 58.100 -0.332 0.000 1.238 782 Y CB -0.870 37.085 38.460 -0.841 0.000 1.179 782 Y HN 0.049 nan 8.280 nan 0.000 0.524 783 Y N -2.153 117.862 120.300 -0.474 0.000 2.732 783 Y HA 0.654 5.204 4.550 -0.000 0.000 0.342 783 Y C -1.813 173.915 175.900 -0.286 0.000 1.203 783 Y CA -1.448 56.427 58.100 -0.374 0.000 1.092 783 Y CB 0.978 39.239 38.460 -0.332 0.000 1.345 783 Y HN -0.172 nan 8.280 nan 0.000 0.458 784 T N 4.968 119.172 114.554 -0.584 0.000 2.812 784 T HA 0.476 4.826 4.350 -0.000 0.000 0.282 784 T C -2.886 171.494 174.700 -0.534 0.000 0.990 784 T CA -1.437 60.304 62.100 -0.598 0.000 0.960 784 T CB 1.718 70.430 68.868 -0.259 0.000 0.948 784 T HN 0.494 nan 8.240 nan 0.000 0.438 785 P HA 0.230 nan 4.420 nan 0.000 0.274 785 P C -0.905 176.247 177.300 -0.247 0.000 1.256 785 P CA -0.624 62.386 63.100 -0.149 0.000 0.795 785 P CB 0.919 32.583 31.700 -0.060 0.000 1.038 786 Q N -0.197 119.454 119.800 -0.247 0.000 2.256 786 Q HA 0.224 4.564 4.340 -0.000 0.000 0.257 786 Q C 1.200 176.999 176.000 -0.335 0.000 0.936 786 Q CA -0.443 55.078 55.803 -0.471 0.000 0.903 786 Q CB 1.243 29.392 28.738 -0.980 0.000 1.263 786 Q HN 0.445 nan 8.270 nan 0.000 0.440 787 S N 0.610 116.143 115.700 -0.279 0.000 2.461 787 S HA 0.212 4.682 4.470 -0.000 0.000 0.228 787 S C 0.593 175.133 174.600 -0.100 0.000 1.005 787 S CA 0.324 58.439 58.200 -0.142 0.000 0.942 787 S CB 0.307 63.439 63.200 -0.112 0.000 0.776 787 S HN 0.610 nan 8.310 nan 0.000 0.514 788 A N 0.183 122.879 122.820 -0.206 0.000 2.594 788 A HA 0.729 5.049 4.320 -0.000 0.000 0.295 788 A C -1.647 175.789 177.584 -0.246 0.000 1.071 788 A CA -0.833 51.160 52.037 -0.075 0.000 0.685 788 A CB 0.809 19.809 19.000 0.000 0.000 1.285 788 A HN 0.228 nan 8.150 nan 0.000 0.405 789 F N 1.059 121.012 119.950 0.005 0.000 2.482 789 F HA 0.654 5.181 4.527 -0.000 0.000 0.331 789 F C 0.952 176.754 175.800 0.002 0.000 1.115 789 F CA -0.197 57.808 58.000 0.009 0.000 0.955 789 F CB 1.950 40.952 39.000 0.002 0.000 1.136 789 F HN 0.817 nan 8.300 nan 0.000 0.452 790 A N 1.412 124.320 122.820 0.147 0.000 2.507 790 A HA 0.187 4.507 4.320 -0.000 0.000 0.235 790 A C -0.215 177.406 177.584 0.061 0.000 1.070 790 A CA -0.055 52.032 52.037 0.082 0.000 0.768 790 A CB 0.006 19.034 19.000 0.047 0.000 1.011 790 A HN 0.687 nan 8.150 nan 0.000 0.502 791 D N 1.593 122.012 120.400 0.031 0.000 2.485 791 D HA 0.415 5.055 4.640 -0.000 0.000 0.229 791 D C 0.078 176.353 176.300 -0.042 0.000 1.101 791 D CA -0.116 53.885 54.000 0.001 0.000 0.906 791 D CB 0.153 40.971 40.800 0.029 0.000 1.019 791 D HN 0.362 nan 8.370 nan 0.000 0.516 792 L N 2.284 123.424 121.223 -0.138 0.000 2.741 792 L HA 0.094 4.434 4.340 -0.000 0.000 0.237 792 L C 1.944 178.736 176.870 -0.130 0.000 1.178 792 L CA -0.088 54.639 54.840 -0.189 0.000 0.973 792 L CB 0.040 41.840 42.059 -0.432 0.000 1.255 792 L HN 0.258 nan 8.230 nan 0.000 0.498 793 S N -0.826 114.843 115.700 -0.052 0.000 2.555 793 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 793 S C 2.041 176.673 174.600 0.054 0.000 0.978 793 S CA 0.639 58.858 58.200 0.030 0.000 0.934 793 S CB -0.375 62.848 63.200 0.038 0.000 0.766 793 S HN 0.448 nan 8.310 nan 0.000 0.533 794 G N 2.345 111.162 108.800 0.028 0.000 2.462 794 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 794 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 794 G C 1.290 176.219 174.900 0.047 0.000 1.121 794 G CA 0.872 45.994 45.100 0.036 0.000 0.758 794 G HN 0.568 nan 8.290 nan 0.000 0.559 795 L N 0.160 121.399 121.223 0.027 0.000 2.191 795 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 795 L C 2.476 179.571 176.870 0.375 0.000 1.103 795 L CA 0.971 55.840 54.840 0.049 0.000 0.769 795 L CB -0.486 41.421 42.059 -0.254 0.000 0.908 795 L HN 0.216 nan 8.230 nan 0.000 0.438 796 N N 0.024 118.910 118.700 0.310 0.000 2.289 796 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 796 N C 1.159 176.764 175.510 0.159 0.000 1.016 796 N CA 0.953 54.159 53.050 0.259 0.000 0.872 796 N CB -0.009 38.574 38.487 0.160 0.000 0.973 796 N HN 0.345 nan 8.380 nan 0.000 0.433 797 N N 0.113 118.892 118.700 0.133 0.000 2.184 797 N HA 0.058 4.798 4.740 -0.000 0.000 0.206 797 N C -0.430 175.125 175.510 0.076 0.000 1.151 797 N CA -0.257 52.841 53.050 0.080 0.000 0.878 797 N CB 0.474 38.995 38.487 0.056 0.000 1.014 797 N HN 0.139 nan 8.380 nan 0.000 0.512 798 L N 2.174 123.464 121.223 0.112 0.000 2.601 798 L HA 0.160 4.500 4.340 -0.000 0.000 0.277 798 L C 0.930 177.844 176.870 0.073 0.000 1.219 798 L CA 0.081 54.969 54.840 0.080 0.000 0.915 798 L CB 0.014 42.128 42.059 0.092 0.000 1.160 798 L HN 0.073 nan 8.230 nan 0.000 0.494 799 G N 4.247 113.065 108.800 0.030 0.000 2.569 799 G HA2 0.168 4.128 3.960 -0.000 0.000 0.249 799 G HA3 0.168 4.128 3.960 -0.000 0.000 0.249 799 G C -0.399 174.507 174.900 0.009 0.000 1.216 799 G CA -0.656 44.452 45.100 0.014 0.000 0.845 799 G HN 0.685 nan 8.290 nan 0.000 0.568 800 Q N -0.358 119.440 119.800 -0.004 0.000 2.364 800 Q HA 0.248 4.588 4.340 -0.000 0.000 0.267 800 Q C 0.446 176.431 176.000 -0.024 0.000 0.999 800 Q CA 0.144 55.939 55.803 -0.013 0.000 0.886 800 Q CB 1.474 30.198 28.738 -0.025 0.000 1.243 800 Q HN 0.482 nan 8.270 nan 0.000 0.415 801 S N 0.057 115.739 115.700 -0.030 0.000 2.894 801 S HA 0.905 5.375 4.470 -0.000 0.000 0.298 801 S C -1.559 173.015 174.600 -0.043 0.000 1.054 801 S CA 0.050 58.221 58.200 -0.048 0.000 0.903 801 S CB 1.484 64.635 63.200 -0.081 0.000 1.356 801 S HN 0.695 nan 8.310 nan 0.000 0.626 802 A N -0.061 122.730 122.820 -0.048 0.000 2.604 802 A HA 0.752 5.072 4.320 -0.000 0.000 0.295 802 A C -1.498 176.060 177.584 -0.043 0.000 1.067 802 A CA -0.435 51.577 52.037 -0.041 0.000 0.683 802 A CB 1.367 20.347 19.000 -0.032 0.000 1.281 802 A HN 1.283 nan 8.150 nan 0.000 0.407 803 V N 0.470 120.360 119.914 -0.041 0.000 2.851 803 V HA 0.778 4.898 4.120 -0.000 0.000 0.307 803 V C 0.255 176.330 176.094 -0.031 0.000 1.129 803 V CA 1.049 63.326 62.300 -0.038 0.000 0.932 803 V CB 1.725 33.516 31.823 -0.053 0.000 1.024 803 V HN 2.801 nan 8.190 nan 0.000 0.426 804 G N 4.424 113.210 108.800 -0.022 0.000 2.580 804 G HA2 0.412 4.372 3.960 -0.000 0.000 0.204 804 G HA3 0.412 4.372 3.960 -0.000 0.000 0.204 804 G C -0.210 174.683 174.900 -0.012 0.000 1.107 804 G CA 0.004 45.095 45.100 -0.015 0.000 0.881 804 G HN 2.011 nan 8.290 nan 0.000 0.497 805 A N 0.093 122.908 122.820 -0.009 0.000 2.374 805 A HA 0.946 5.266 4.320 -0.000 0.000 0.305 805 A C -0.047 177.542 177.584 0.008 0.000 1.053 805 A CA -0.090 51.946 52.037 -0.001 0.000 0.726 805 A CB 1.919 20.916 19.000 -0.006 0.000 1.229 805 A HN 0.847 nan 8.150 nan 0.000 0.431 806 T N 1.290 115.854 114.554 0.016 0.000 2.861 806 T HA 0.762 5.111 4.350 -0.000 0.000 0.287 806 T C -0.356 174.364 174.700 0.033 0.000 1.003 806 T CA 0.096 62.208 62.100 0.020 0.000 0.977 806 T CB 1.603 70.481 68.868 0.017 0.000 0.996 806 T HN 1.478 nan 8.240 nan 0.000 0.448 807 A N 3.449 126.290 122.820 0.034 0.000 2.475 807 A HA 0.858 5.178 4.320 -0.000 0.000 0.301 807 A C -0.845 176.759 177.584 0.033 0.000 1.059 807 A CA -0.803 51.261 52.037 0.046 0.000 0.710 807 A CB 1.486 20.523 19.000 0.062 0.000 1.288 807 A HN 0.852 nan 8.150 nan 0.000 0.408 808 N N -0.477 118.242 118.700 0.031 0.000 2.610 808 N HA 0.697 5.437 4.740 -0.000 0.000 0.264 808 N C -1.300 174.219 175.510 0.015 0.000 1.348 808 N CA -0.392 52.670 53.050 0.019 0.000 0.819 808 N CB 1.929 40.422 38.487 0.010 0.000 1.521 808 N HN 0.585 nan 8.380 nan 0.000 0.497 809 S N 0.373 116.076 115.700 0.005 0.000 2.570 809 S HA 0.590 5.060 4.470 -0.000 0.000 0.286 809 S C -1.357 173.223 174.600 -0.034 0.000 1.099 809 S CA -0.585 57.608 58.200 -0.012 0.000 0.913 809 S CB 2.037 65.245 63.200 0.013 0.000 1.085 809 S HN 0.279 nan 8.310 nan 0.000 0.480 810 V N 1.807 121.681 119.914 -0.067 0.000 2.443 810 V HA 0.668 4.788 4.120 -0.000 0.000 0.293 810 V C -0.110 175.922 176.094 -0.104 0.000 1.021 810 V CA -0.810 61.448 62.300 -0.070 0.000 0.848 810 V CB 1.381 33.165 31.823 -0.065 0.000 0.998 810 V HN 1.041 nan 8.190 nan 0.000 0.424 811 A N 3.978 126.746 122.820 -0.086 0.000 2.350 811 A HA 0.691 5.011 4.320 -0.000 0.000 0.293 811 A C 0.763 178.296 177.584 -0.086 0.000 1.231 811 A CA 0.256 52.234 52.037 -0.098 0.000 0.883 811 A CB 0.088 19.047 19.000 -0.068 0.000 1.133 811 A HN 1.054 nan 8.150 nan 0.000 0.533 812 G N 0.665 109.402 108.800 -0.104 0.000 2.507 812 G HA2 0.465 4.425 3.960 -0.000 0.000 0.271 812 G HA3 0.465 4.425 3.960 -0.000 0.000 0.271 812 G C 1.062 175.923 174.900 -0.065 0.000 1.189 812 G CA 0.059 45.110 45.100 -0.081 0.000 0.859 812 G HN 1.274 nan 8.290 nan 0.000 0.542 813 A N 0.650 123.440 122.820 -0.050 0.000 2.131 813 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 813 A C 1.833 179.394 177.584 -0.039 0.000 1.158 813 A CA 1.955 53.968 52.037 -0.039 0.000 0.665 813 A CB -0.203 18.778 19.000 -0.031 0.000 0.795 813 A HN 0.664 nan 8.150 nan 0.000 0.460 814 D N -2.107 118.265 120.400 -0.047 0.000 2.340 814 D HA 0.236 4.876 4.640 -0.000 0.000 0.220 814 D C 1.153 177.423 176.300 -0.049 0.000 1.039 814 D CA 0.853 54.826 54.000 -0.044 0.000 0.866 814 D CB -0.634 40.138 40.800 -0.046 0.000 0.913 814 D HN 0.758 nan 8.370 nan 0.000 0.523 815 G N 0.322 109.087 108.800 -0.058 0.000 2.157 815 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 815 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 815 G C 0.389 175.235 174.900 -0.089 0.000 0.979 815 G CA 0.542 45.606 45.100 -0.060 0.000 0.650 815 G HN 0.821 nan 8.290 nan 0.000 0.529 816 T N -1.625 112.858 114.554 -0.119 0.000 2.929 816 T HA 0.701 5.050 4.350 -0.000 0.000 0.284 816 T C -0.073 174.463 174.700 -0.273 0.000 1.014 816 T CA 0.276 62.261 62.100 -0.192 0.000 1.051 816 T CB 2.426 71.189 68.868 -0.175 0.000 1.028 816 T HN 0.280 nan 8.240 nan 0.000 0.485 817 T N 2.619 116.875 114.554 -0.497 0.000 2.823 817 T HA 0.546 4.896 4.350 -0.000 0.000 0.279 817 T C -0.331 173.965 174.700 -0.674 0.000 0.998 817 T CA -0.517 61.235 62.100 -0.581 0.000 0.994 817 T CB 1.340 69.816 68.868 -0.654 0.000 0.960 817 T HN 0.790 nan 8.240 nan 0.000 0.448 818 T N 3.273 117.604 114.554 -0.372 0.000 2.758 818 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 818 T C -0.016 174.587 174.700 -0.162 0.000 0.981 818 T CA -0.503 61.438 62.100 -0.265 0.000 0.965 818 T CB 0.965 69.732 68.868 -0.167 0.000 0.927 818 T HN 0.463 nan 8.240 nan 0.000 0.448 819 T N 3.431 117.924 114.554 -0.102 0.000 2.771 819 T HA 0.480 4.830 4.350 -0.000 0.000 0.281 819 T C 0.015 174.691 174.700 -0.039 0.000 0.982 819 T CA -0.499 61.590 62.100 -0.018 0.000 0.978 819 T CB 0.996 69.909 68.868 0.075 0.000 0.930 819 T HN 0.480 nan 8.240 nan 0.000 0.447 820 T N 3.077 117.634 114.554 0.005 0.000 2.770 820 T HA 0.559 4.909 4.350 -0.000 0.000 0.283 820 T C -0.261 174.484 174.700 0.073 0.000 0.988 820 T CA -0.646 61.474 62.100 0.033 0.000 0.957 820 T CB 1.022 69.900 68.868 0.016 0.000 0.930 820 T HN 0.547 nan 8.240 nan 0.000 0.443 821 V N 2.249 122.239 119.914 0.127 0.000 2.540 821 V HA 0.781 4.901 4.120 -0.000 0.000 0.302 821 V C -0.441 175.707 176.094 0.091 0.000 1.035 821 V CA -0.414 61.962 62.300 0.127 0.000 0.873 821 V CB 1.887 33.828 31.823 0.195 0.000 0.992 821 V HN 0.790 nan 8.190 nan 0.000 0.428 822 T N 8.114 122.702 114.554 0.056 0.000 2.758 822 T HA 0.649 4.999 4.350 -0.000 0.000 0.285 822 T C -0.301 174.412 174.700 0.021 0.000 0.981 822 T CA -0.246 61.876 62.100 0.037 0.000 0.965 822 T CB 0.842 69.728 68.868 0.030 0.000 0.927 822 T HN 0.683 nan 8.240 nan 0.000 0.448 823 L N 3.149 124.379 121.223 0.012 0.000 2.334 823 L HA 0.694 5.034 4.340 -0.000 0.000 0.276 823 L C -0.004 176.867 176.870 0.000 0.000 1.014 823 L CA -0.978 53.859 54.840 -0.006 0.000 0.815 823 L CB 1.865 43.904 42.059 -0.033 0.000 1.268 823 L HN 0.432 nan 8.230 nan 0.000 0.428 824 K N 2.086 122.484 120.400 -0.004 0.000 2.501 824 K HA 0.247 4.567 4.320 -0.000 0.000 0.252 824 K C -1.245 175.352 176.600 -0.004 0.000 0.934 824 K CA -0.739 55.551 56.287 0.005 0.000 0.797 824 K CB 2.122 34.628 32.500 0.009 0.000 1.270 824 K HN 0.521 nan 8.250 nan 0.000 0.431 825 N N 2.571 121.273 118.700 0.002 0.000 2.416 825 N HA -0.008 4.732 4.740 -0.000 0.000 0.265 825 N C 0.071 175.578 175.510 -0.005 0.000 1.195 825 N CA 0.359 53.402 53.050 -0.012 0.000 0.943 825 N CB 0.959 39.437 38.487 -0.014 0.000 1.115 825 N HN 0.680 nan 8.380 nan 0.000 0.481 826 T N -0.586 113.960 114.554 -0.013 0.000 3.145 826 T HA 0.096 4.446 4.350 -0.000 0.000 0.255 826 T C 0.777 175.471 174.700 -0.010 0.000 1.039 826 T CA -0.588 61.508 62.100 -0.008 0.000 0.928 826 T CB -0.182 68.680 68.868 -0.010 0.000 1.029 826 T HN 0.310 nan 8.240 nan 0.000 0.554 827 S N 0.304 115.993 115.700 -0.017 0.000 2.565 827 S HA 0.523 4.993 4.470 -0.000 0.000 0.276 827 S C 1.283 175.880 174.600 -0.005 0.000 1.326 827 S CA -0.203 57.986 58.200 -0.017 0.000 1.045 827 S CB 0.788 63.968 63.200 -0.033 0.000 0.918 827 S HN 0.463 nan 8.310 nan 0.000 0.505 828 G N 2.585 111.384 108.800 -0.002 0.000 3.371 828 G HA2 0.489 4.449 3.960 -0.000 0.000 0.248 828 G HA3 0.489 4.449 3.960 -0.000 0.000 0.248 828 G C 0.494 175.400 174.900 0.010 0.000 1.161 828 G CA 0.002 45.107 45.100 0.007 0.000 0.796 828 G HN 0.936 nan 8.290 nan 0.000 0.539 829 G N -0.145 108.658 108.800 0.005 0.000 2.940 829 G HA2 0.461 4.420 3.960 -0.000 0.000 0.164 829 G HA3 0.461 4.420 3.960 -0.000 0.000 0.164 829 G C 0.491 175.404 174.900 0.020 0.000 1.326 829 G CA -0.657 44.449 45.100 0.010 0.000 1.020 829 G HN 0.145 nan 8.290 nan 0.000 0.586 830 R N -1.475 119.037 120.500 0.020 0.000 2.476 830 R HA 0.341 4.681 4.340 -0.000 0.000 0.276 830 R C 0.216 176.502 176.300 -0.023 0.000 0.941 830 R CA -0.217 55.911 56.100 0.047 0.000 1.088 830 R CB 0.210 30.564 30.300 0.090 0.000 1.216 830 R HN 0.203 nan 8.270 nan 0.000 0.533 831 L N 3.707 124.881 121.223 -0.082 0.000 2.360 831 L HA 0.252 4.592 4.340 -0.000 0.000 0.276 831 L C -1.959 174.697 176.870 -0.357 0.000 1.121 831 L CA -1.920 52.809 54.840 -0.185 0.000 0.845 831 L CB 0.446 42.436 42.059 -0.115 0.000 1.143 831 L HN -0.164 nan 8.230 nan 0.000 0.452 832 P HA 0.052 nan 4.420 nan 0.000 0.272 832 P C -0.876 176.144 177.300 -0.466 0.000 1.223 832 P CA -0.457 62.043 63.100 -1.000 0.000 0.784 832 P CB 0.896 31.439 31.700 -1.929 0.000 0.923 833 A N 3.512 126.139 122.820 -0.322 0.000 2.343 833 A HA 0.363 4.683 4.320 -0.000 0.000 0.305 833 A C -0.622 176.902 177.584 -0.100 0.000 1.308 833 A CA -0.337 51.612 52.037 -0.147 0.000 0.949 833 A CB -0.950 17.985 19.000 -0.108 0.000 1.148 833 A HN 0.483 nan 8.150 nan 0.000 0.545 834 F N 3.282 123.119 119.950 -0.189 0.000 2.420 834 F HA 0.469 4.996 4.527 -0.000 0.000 0.342 834 F C -0.047 175.742 175.800 -0.017 0.000 1.113 834 F CA -1.062 56.843 58.000 -0.159 0.000 1.059 834 F CB 0.434 39.316 39.000 -0.196 0.000 1.128 834 F HN 0.665 nan 8.300 nan 0.000 0.475 835 Y N 4.096 123.858 120.300 -0.896 0.000 2.987 835 Y HA -0.158 4.392 4.550 -0.000 0.000 0.177 835 Y C -1.328 174.293 175.900 -0.464 0.000 1.560 835 Y CA 0.291 57.849 58.100 -0.903 0.000 0.893 835 Y CB -1.186 36.395 38.460 -1.465 0.000 1.372 835 Y HN 0.377 nan 8.280 nan 0.000 0.397 836 V N 3.898 123.525 119.914 -0.479 0.000 2.364 836 V HA 0.272 4.392 4.120 -0.000 0.000 0.272 836 V C 0.173 175.967 176.094 -0.499 0.000 1.036 836 V CA -0.402 61.676 62.300 -0.370 0.000 0.880 836 V CB 1.560 33.236 31.823 -0.245 0.000 0.991 836 V HN 0.456 nan 8.190 nan 0.000 0.460 837 D N 3.285 123.426 120.400 -0.431 0.000 2.308 837 D HA 0.442 5.082 4.640 -0.000 0.000 0.242 837 D C -0.536 175.550 176.300 -0.357 0.000 1.059 837 D CA -0.076 53.648 54.000 -0.460 0.000 0.830 837 D CB 1.903 42.533 40.800 -0.283 0.000 1.161 837 D HN 0.472 nan 8.370 nan 0.000 0.494 838 S N 3.443 118.838 115.700 -0.509 0.000 2.454 838 S HA 0.499 4.969 4.470 -0.000 0.000 0.306 838 S C -0.462 173.965 174.600 -0.288 0.000 1.100 838 S CA -0.864 57.092 58.200 -0.408 0.000 1.087 838 S CB 1.355 64.223 63.200 -0.553 0.000 1.019 838 S HN 0.242 nan 8.310 nan 0.000 0.480 839 K N 2.274 122.687 120.400 0.022 0.000 2.463 839 K HA 0.350 4.670 4.320 -0.000 0.000 0.255 839 K C -0.987 175.732 176.600 0.199 0.000 0.942 839 K CA -0.655 55.729 56.287 0.161 0.000 0.814 839 K CB 2.117 34.648 32.500 0.053 0.000 1.122 839 K HN 0.381 nan 8.250 nan 0.000 0.425 840 V N 3.956 124.007 119.914 0.228 0.000 2.450 840 V HA 0.044 4.164 4.120 -0.000 0.000 0.281 840 V C 0.492 176.533 176.094 -0.088 0.000 1.019 840 V CA -0.233 62.045 62.300 -0.037 0.000 1.062 840 V CB 0.352 31.937 31.823 -0.396 0.000 0.979 840 V HN 0.526 nan 8.190 nan 0.000 0.477 841 V N 2.076 121.949 119.914 -0.067 0.000 3.074 841 V HA 0.841 4.961 4.120 -0.000 0.000 0.314 841 V C -0.419 175.637 176.094 -0.063 0.000 1.117 841 V CA -1.035 61.228 62.300 -0.061 0.000 1.014 841 V CB 2.191 33.996 31.823 -0.030 0.000 1.057 841 V HN 0.750 nan 8.190 nan 0.000 0.438 842 D N 1.149 121.516 120.400 -0.055 0.000 2.511 842 D HA 0.298 4.938 4.640 -0.000 0.000 0.276 842 D C 1.433 177.717 176.300 -0.027 0.000 1.220 842 D CA 0.190 54.167 54.000 -0.040 0.000 1.077 842 D CB 0.757 41.533 40.800 -0.039 0.000 1.126 842 D HN 0.805 nan 8.370 nan 0.000 0.583 843 S N -1.416 114.272 115.700 -0.020 0.000 2.442 843 S HA -0.091 4.379 4.470 -0.000 0.000 0.236 843 S C 1.791 176.380 174.600 -0.020 0.000 1.007 843 S CA 0.718 58.909 58.200 -0.016 0.000 0.965 843 S CB -0.782 62.410 63.200 -0.012 0.000 0.773 843 S HN 0.654 nan 8.310 nan 0.000 0.504 844 A N 0.594 123.400 122.820 -0.025 0.000 2.218 844 A HA 0.579 4.899 4.320 -0.000 0.000 0.209 844 A C 1.734 179.300 177.584 -0.029 0.000 1.168 844 A CA 0.510 52.531 52.037 -0.027 0.000 0.804 844 A CB -0.959 18.022 19.000 -0.031 0.000 0.834 844 A HN 1.538 nan 8.150 nan 0.000 0.482 845 G N -0.634 108.148 108.800 -0.030 0.000 2.141 845 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 845 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 845 G C 0.148 175.026 174.900 -0.035 0.000 0.982 845 G CA 0.491 45.573 45.100 -0.030 0.000 0.662 845 G HN 0.757 nan 8.290 nan 0.000 0.527 846 K N 1.297 121.671 120.400 -0.043 0.000 2.227 846 K HA 0.608 4.928 4.320 -0.000 0.000 0.280 846 K C -2.212 174.355 176.600 -0.056 0.000 1.041 846 K CA -2.224 54.031 56.287 -0.052 0.000 0.905 846 K CB 0.942 33.405 32.500 -0.061 0.000 1.068 846 K HN 0.013 nan 8.250 nan 0.000 0.470 847 P HA -0.093 nan 4.420 nan 0.000 0.264 847 P C -0.991 176.264 177.300 -0.074 0.000 1.183 847 P CA -0.179 62.893 63.100 -0.047 0.000 0.763 847 P CB 0.549 32.238 31.700 -0.019 0.000 0.807 848 V N 5.499 125.338 119.914 -0.124 0.000 2.383 848 V HA 0.336 4.455 4.120 -0.000 0.000 0.275 848 V C 0.389 176.405 176.094 -0.130 0.000 1.036 848 V CA 0.026 62.226 62.300 -0.166 0.000 0.889 848 V CB 0.203 31.827 31.823 -0.331 0.000 0.985 848 V HN 0.344 nan 8.190 nan 0.000 0.459 849 L N 6.988 128.179 121.223 -0.054 0.000 2.434 849 L HA 0.613 4.953 4.340 -0.000 0.000 0.260 849 L C -2.366 174.508 176.870 0.007 0.000 0.983 849 L CA -1.715 53.127 54.840 0.004 0.000 0.820 849 L CB 2.881 44.961 42.059 0.036 0.000 1.361 849 L HN 0.420 nan 8.230 nan 0.000 0.410 850 P HA 0.299 nan 4.420 nan 0.000 0.274 850 P C -1.234 176.143 177.300 0.128 0.000 1.256 850 P CA -0.345 62.793 63.100 0.064 0.000 0.795 850 P CB 2.298 33.934 31.700 -0.106 0.000 1.038 851 V N -0.368 119.674 119.914 0.213 0.000 3.048 851 V HA 0.366 4.486 4.120 -0.000 0.000 0.303 851 V C -1.507 174.607 176.094 0.034 0.000 1.214 851 V CA -0.580 61.769 62.300 0.082 0.000 0.984 851 V CB 2.344 34.147 31.823 -0.033 0.000 1.054 851 V HN 0.574 nan 8.190 nan 0.000 0.430 852 E N 4.744 124.910 120.200 -0.057 0.000 2.255 852 E HA 0.328 4.678 4.350 -0.000 0.000 0.256 852 E C -1.888 174.651 176.600 -0.101 0.000 0.887 852 E CA -0.287 56.093 56.400 -0.033 0.000 0.782 852 E CB 1.716 31.428 29.700 0.020 0.000 1.214 852 E HN 0.629 nan 8.360 nan 0.000 0.417 853 W N 2.838 124.153 121.300 0.024 0.000 2.449 853 W HA 0.174 4.834 4.660 -0.000 0.000 0.331 853 W C 1.735 178.268 176.519 0.023 0.000 1.119 853 W CA -0.558 56.804 57.345 0.029 0.000 1.240 853 W CB 0.664 30.140 29.460 0.026 0.000 1.251 853 W HN 0.487 nan 8.180 nan 0.000 0.576 854 N N 0.715 119.565 118.700 0.251 0.000 2.244 854 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 854 N C -0.079 175.520 175.510 0.148 0.000 1.016 854 N CA 1.761 54.903 53.050 0.153 0.000 0.866 854 N CB -0.396 38.156 38.487 0.108 0.000 0.980 854 N HN 0.547 nan 8.380 nan 0.000 0.430 855 D N -1.288 119.224 120.400 0.185 0.000 2.648 855 D HA 0.563 5.203 4.640 -0.000 0.000 0.244 855 D C -1.429 174.819 176.300 -0.087 0.000 1.244 855 D CA -0.637 53.401 54.000 0.063 0.000 0.772 855 D CB 1.594 42.416 40.800 0.037 0.000 1.379 855 D HN 0.191 nan 8.370 nan 0.000 0.428 856 N N -1.471 117.043 118.700 -0.310 0.000 3.261 856 N HA 0.667 5.406 4.740 -0.000 0.000 0.248 856 N C -0.623 174.424 175.510 -0.771 0.000 1.498 856 N CA 0.745 53.360 53.050 -0.724 0.000 0.884 856 N CB 1.684 39.476 38.487 -1.157 0.000 1.428 856 N HN 1.936 nan 8.380 nan 0.000 0.517 857 A N -0.122 122.104 122.820 -0.989 0.000 2.519 857 A HA -0.113 4.207 4.320 -0.000 0.000 0.297 857 A C 0.298 177.510 177.584 -0.620 0.000 1.472 857 A CA 1.041 52.481 52.037 -0.995 0.000 0.739 857 A CB -2.436 15.916 19.000 -1.080 0.000 1.096 857 A HN 1.134 nan 8.150 nan 0.000 0.414 858 V N -2.118 117.525 119.914 -0.452 0.000 2.973 858 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 858 V C 0.384 176.381 176.094 -0.161 0.000 1.066 858 V CA -0.063 62.106 62.300 -0.218 0.000 1.021 858 V CB 2.128 33.861 31.823 -0.150 0.000 1.076 858 V HN 1.126 nan 8.190 nan 0.000 0.462 859 S N 3.458 119.163 115.700 0.009 0.000 2.594 859 S HA 0.734 5.204 4.470 -0.000 0.000 0.296 859 S C -0.792 173.911 174.600 0.172 0.000 1.124 859 S CA -0.485 57.762 58.200 0.077 0.000 1.011 859 S CB 1.060 64.421 63.200 0.268 0.000 1.016 859 S HN 0.732 nan 8.310 nan 0.000 0.485 860 L N 2.668 123.920 121.223 0.048 0.000 2.349 860 L HA 0.530 4.870 4.340 -0.000 0.000 0.278 860 L C -0.321 176.588 176.870 0.065 0.000 0.996 860 L CA -0.588 54.335 54.840 0.138 0.000 0.825 860 L CB 1.149 43.239 42.059 0.052 0.000 1.243 860 L HN 0.544 nan 8.230 nan 0.000 0.412 861 W N 2.698 123.974 121.300 -0.039 0.000 2.086 861 W HA 0.254 4.914 4.660 -0.000 0.000 0.355 861 W C -2.071 174.426 176.519 -0.036 0.000 1.313 861 W CA -1.344 55.956 57.345 -0.075 0.000 1.358 861 W CB 0.959 30.347 29.460 -0.120 0.000 1.166 861 W HN 0.147 nan 8.180 nan 0.000 0.630 862 P HA 0.092 nan 4.420 nan 0.000 0.268 862 P C 0.433 177.797 177.300 0.107 0.000 1.205 862 P CA 1.322 64.470 63.100 0.079 0.000 0.771 862 P CB 0.477 32.212 31.700 0.059 0.000 0.858 863 G N 1.009 109.852 108.800 0.072 0.000 2.199 863 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 863 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 863 G C 0.020 174.962 174.900 0.071 0.000 0.982 863 G CA -0.199 44.941 45.100 0.067 0.000 0.632 863 G HN 0.558 nan 8.290 nan 0.000 0.529 864 E N 0.515 120.769 120.200 0.090 0.000 2.248 864 E HA 0.634 4.984 4.350 -0.000 0.000 0.272 864 E C -0.350 176.288 176.600 0.062 0.000 1.008 864 E CA -0.089 56.365 56.400 0.089 0.000 0.856 864 E CB 1.361 31.145 29.700 0.140 0.000 1.120 864 E HN 0.187 nan 8.360 nan 0.000 0.397 865 T N 0.565 115.152 114.554 0.054 0.000 2.903 865 T HA 0.491 4.840 4.350 -0.000 0.000 0.299 865 T C -0.760 173.963 174.700 0.039 0.000 1.093 865 T CA -0.681 61.442 62.100 0.038 0.000 1.002 865 T CB 2.024 70.911 68.868 0.031 0.000 1.127 865 T HN 0.364 nan 8.240 nan 0.000 0.488 866 T N 0.933 115.504 114.554 0.029 0.000 2.923 866 T HA 0.617 4.966 4.350 -0.000 0.000 0.311 866 T C -1.408 173.311 174.700 0.032 0.000 1.183 866 T CA -0.394 61.724 62.100 0.030 0.000 1.020 866 T CB 1.616 70.500 68.868 0.025 0.000 1.165 866 T HN 0.592 nan 8.240 nan 0.000 0.482 867 T N 4.398 118.977 114.554 0.041 0.000 2.779 867 T HA 0.652 5.002 4.350 -0.000 0.000 0.280 867 T C -0.516 174.233 174.700 0.081 0.000 0.987 867 T CA -0.524 61.609 62.100 0.055 0.000 0.966 867 T CB 0.535 69.430 68.868 0.046 0.000 0.933 867 T HN 0.410 nan 8.240 nan 0.000 0.442 868 L N 2.282 123.582 121.223 0.128 0.000 2.330 868 L HA 0.707 5.047 4.340 -0.000 0.000 0.271 868 L C 0.197 177.213 176.870 0.242 0.000 1.013 868 L CA -0.882 54.095 54.840 0.228 0.000 0.816 868 L CB 2.004 44.251 42.059 0.313 0.000 1.287 868 L HN 0.527 nan 8.230 nan 0.000 0.435 869 T N 1.304 115.994 114.554 0.227 0.000 2.848 869 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 869 T C -0.657 173.943 174.700 -0.167 0.000 0.995 869 T CA -0.494 61.625 62.100 0.031 0.000 0.970 869 T CB 1.819 70.693 68.868 0.010 0.000 0.976 869 T HN 0.658 nan 8.240 nan 0.000 0.441 870 A N 3.370 125.882 122.820 -0.513 0.000 2.331 870 A HA 0.803 5.123 4.320 -0.000 0.000 0.320 870 A C -0.396 176.992 177.584 -0.326 0.000 1.138 870 A CA -0.748 50.793 52.037 -0.826 0.000 0.790 870 A CB 1.037 19.153 19.000 -1.474 0.000 1.206 870 A HN 0.705 nan 8.150 nan 0.000 0.470 871 K N 1.372 121.639 120.400 -0.222 0.000 2.270 871 K HA 0.714 5.034 4.320 -0.000 0.000 0.255 871 K C -1.485 175.119 176.600 0.006 0.000 0.936 871 K CA -0.478 55.713 56.287 -0.161 0.000 0.809 871 K CB 1.284 33.702 32.500 -0.137 0.000 1.131 871 K HN 0.790 nan 8.250 nan 0.000 0.427 872 Y N -1.189 119.028 120.300 -0.138 0.000 2.689 872 Y HA 0.454 5.004 4.550 -0.000 0.000 0.333 872 Y C -1.020 174.836 175.900 -0.074 0.000 1.208 872 Y CA -1.534 56.508 58.100 -0.097 0.000 1.055 872 Y CB 0.756 39.154 38.460 -0.104 0.000 1.304 872 Y HN 0.273 nan 8.280 nan 0.000 0.455 873 R N 0.887 121.428 120.500 0.067 0.000 2.347 873 R HA 0.225 4.565 4.340 -0.000 0.000 0.304 873 R C 0.451 176.775 176.300 0.040 0.000 1.072 873 R CA 0.448 56.547 56.100 -0.001 0.000 0.980 873 R CB 1.085 31.396 30.300 0.019 0.000 0.986 873 R HN 0.949 nan 8.270 nan 0.000 0.448 874 T N 2.349 116.870 114.554 -0.054 0.000 2.699 874 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 874 T C 1.905 176.632 174.700 0.045 0.000 1.036 874 T CA 1.902 63.991 62.100 -0.017 0.000 1.147 874 T CB -0.086 68.748 68.868 -0.056 0.000 0.862 874 T HN 0.768 nan 8.240 nan 0.000 0.446 875 A N 1.909 124.743 122.820 0.023 0.000 1.978 875 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 875 A C 1.935 179.539 177.584 0.034 0.000 1.170 875 A CA 1.633 53.683 52.037 0.022 0.000 0.636 875 A CB -0.543 18.462 19.000 0.008 0.000 0.810 875 A HN 0.393 nan 8.150 nan 0.000 0.448 876 D N -0.520 119.915 120.400 0.060 0.000 2.378 876 D HA -0.029 4.611 4.640 -0.000 0.000 0.227 876 D C 1.245 177.566 176.300 0.035 0.000 1.012 876 D CA 0.297 54.326 54.000 0.048 0.000 0.905 876 D CB 0.078 40.911 40.800 0.055 0.000 0.895 876 D HN 0.246 nan 8.370 nan 0.000 0.532 877 L N 0.530 121.790 121.223 0.062 0.000 2.313 877 L HA 0.021 4.361 4.340 -0.000 0.000 0.214 877 L C 0.776 177.654 176.870 0.014 0.000 1.119 877 L CA 0.775 55.639 54.840 0.039 0.000 0.809 877 L CB -0.537 41.571 42.059 0.080 0.000 0.933 877 L HN -0.031 nan 8.230 nan 0.000 0.449 878 K N -0.042 120.367 120.400 0.015 0.000 3.148 878 K HA -0.248 4.072 4.320 -0.000 0.000 0.267 878 K C 1.059 177.660 176.600 0.002 0.000 0.996 878 K CA 0.333 56.622 56.287 0.004 0.000 0.737 878 K CB -1.908 30.588 32.500 -0.006 0.000 1.308 878 K HN 0.518 nan 8.250 nan 0.000 0.470 879 G N -0.933 107.872 108.800 0.008 0.000 2.217 879 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.246 879 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.246 879 G C 0.162 175.065 174.900 0.006 0.000 0.990 879 G CA 0.293 45.396 45.100 0.005 0.000 0.627 879 G HN 0.610 nan 8.290 nan 0.000 0.522 880 S N 0.387 116.091 115.700 0.007 0.000 2.585 880 S HA 0.540 5.010 4.470 -0.000 0.000 0.273 880 S C 0.737 175.347 174.600 0.016 0.000 1.339 880 S CA 0.053 58.256 58.200 0.005 0.000 1.028 880 S CB 0.524 63.722 63.200 -0.003 0.000 0.906 880 S HN 0.414 nan 8.310 nan 0.000 0.528 881 K N 3.254 123.662 120.400 0.013 0.000 2.237 881 K HA 0.314 4.634 4.320 -0.000 0.000 0.270 881 K C -2.303 174.312 176.600 0.025 0.000 1.015 881 K CA -1.587 54.713 56.287 0.021 0.000 0.949 881 K CB 0.284 32.792 32.500 0.013 0.000 0.976 881 K HN 0.513 nan 8.250 nan 0.000 0.472 882 P HA 0.096 nan 4.420 nan 0.000 0.280 882 P C -0.960 176.355 177.300 0.026 0.000 1.244 882 P CA -0.233 62.894 63.100 0.044 0.000 0.784 882 P CB 1.321 33.092 31.700 0.118 0.000 0.913 883 S N 0.978 116.682 115.700 0.008 0.000 2.671 883 S HA 0.588 5.058 4.470 -0.000 0.000 0.299 883 S C -0.548 174.066 174.600 0.023 0.000 1.116 883 S CA -0.689 57.519 58.200 0.014 0.000 0.912 883 S CB 1.556 64.759 63.200 0.004 0.000 1.130 883 S HN 0.221 nan 8.310 nan 0.000 0.501 884 V N 2.005 121.942 119.914 0.039 0.000 2.376 884 V HA 0.455 4.575 4.120 -0.000 0.000 0.287 884 V C -0.019 176.094 176.094 0.032 0.000 1.015 884 V CA -0.694 61.647 62.300 0.068 0.000 0.834 884 V CB 1.223 33.116 31.823 0.117 0.000 1.001 884 V HN 0.751 nan 8.190 nan 0.000 0.428 885 R N 5.056 125.568 120.500 0.020 0.000 2.298 885 R HA 0.605 4.945 4.340 -0.000 0.000 0.310 885 R C -1.119 175.161 176.300 -0.033 0.000 1.068 885 R CA -0.270 55.824 56.100 -0.009 0.000 0.957 885 R CB 0.567 30.859 30.300 -0.014 0.000 1.003 885 R HN 0.700 nan 8.270 nan 0.000 0.454 886 I N 3.443 123.983 120.570 -0.050 0.000 2.411 886 I HA 0.214 4.383 4.170 -0.000 0.000 0.284 886 I C -0.723 175.342 176.117 -0.086 0.000 1.012 886 I CA -0.366 60.883 61.300 -0.084 0.000 1.119 886 I CB 2.141 40.097 38.000 -0.074 0.000 1.261 886 I HN 0.547 nan 8.210 nan 0.000 0.448 887 S N 3.855 119.492 115.700 -0.105 0.000 2.519 887 S HA 0.763 5.233 4.470 -0.000 0.000 0.309 887 S C 0.025 174.563 174.600 -0.102 0.000 1.100 887 S CA -0.753 57.393 58.200 -0.090 0.000 1.059 887 S CB 1.898 65.056 63.200 -0.071 0.000 1.008 887 S HN 0.765 nan 8.310 nan 0.000 0.478 888 G N 0.945 109.697 108.800 -0.080 0.000 2.448 888 G HA2 0.421 4.381 3.960 -0.000 0.000 0.324 888 G HA3 0.421 4.381 3.960 -0.000 0.000 0.324 888 G C 0.358 175.269 174.900 0.018 0.000 1.203 888 G CA -0.863 44.206 45.100 -0.052 0.000 0.954 888 G HN 0.773 nan 8.290 nan 0.000 0.480 889 W N 2.366 123.592 121.300 -0.124 0.000 2.302 889 W HA -0.174 4.486 4.660 -0.000 0.000 0.320 889 W C 0.958 177.456 176.519 -0.035 0.000 1.241 889 W CA 2.038 59.331 57.345 -0.087 0.000 1.264 889 W CB 0.199 29.600 29.460 -0.099 0.000 1.154 889 W HN 0.655 nan 8.180 nan 0.000 0.483 890 N N -0.381 118.458 118.700 0.233 0.000 2.328 890 N HA -0.008 4.732 4.740 -0.000 0.000 0.247 890 N C 0.340 175.858 175.510 0.012 0.000 1.165 890 N CA 0.946 54.058 53.050 0.103 0.000 0.873 890 N CB -0.539 38.067 38.487 0.198 0.000 1.125 890 N HN 0.092 nan 8.380 nan 0.000 0.513 891 T N -5.047 109.495 114.554 -0.021 0.000 3.087 891 T HA 0.458 4.808 4.350 -0.000 0.000 0.283 891 T C 0.893 175.557 174.700 -0.059 0.000 0.956 891 T CA 0.263 62.338 62.100 -0.041 0.000 0.894 891 T CB 0.217 69.058 68.868 -0.045 0.000 1.160 891 T HN 0.387 nan 8.240 nan 0.000 0.532 892 G N 1.445 110.198 108.800 -0.078 0.000 2.569 892 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.259 892 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.259 892 G C -0.426 174.427 174.900 -0.077 0.000 1.263 892 G CA -0.115 44.934 45.100 -0.085 0.000 0.928 892 G HN 0.897 nan 8.290 nan 0.000 0.572 893 T N 1.322 115.835 114.554 -0.069 0.000 2.879 893 T HA 0.628 4.978 4.350 -0.000 0.000 0.290 893 T C -0.158 174.512 174.700 -0.050 0.000 0.993 893 T CA 0.120 62.184 62.100 -0.061 0.000 0.975 893 T CB 1.652 70.484 68.868 -0.060 0.000 0.981 893 T HN 0.939 nan 8.240 nan 0.000 0.439 894 Q N 0.463 120.236 119.800 -0.045 0.000 2.397 894 Q HA 0.768 5.108 4.340 -0.000 0.000 0.275 894 Q C -0.944 175.039 176.000 -0.028 0.000 1.090 894 Q CA -1.052 54.730 55.803 -0.034 0.000 0.809 894 Q CB 2.123 30.842 28.738 -0.031 0.000 1.362 894 Q HN 0.536 nan 8.270 nan 0.000 0.431 895 T N 0.044 114.586 114.554 -0.021 0.000 2.807 895 T HA 0.603 4.953 4.350 -0.000 0.000 0.279 895 T C -0.388 174.308 174.700 -0.007 0.000 0.993 895 T CA -0.449 61.643 62.100 -0.013 0.000 0.970 895 T CB 1.258 70.118 68.868 -0.013 0.000 0.950 895 T HN 0.752 nan 8.240 nan 0.000 0.441 896 V N 2.761 122.676 119.914 0.002 0.000 2.581 896 V HA 0.849 4.969 4.120 -0.000 0.000 0.303 896 V C -2.656 173.445 176.094 0.012 0.000 1.041 896 V CA -2.849 59.455 62.300 0.006 0.000 0.907 896 V CB 1.344 33.173 31.823 0.010 0.000 0.994 896 V HN 0.802 nan 8.190 nan 0.000 0.442 897 P HA 0.281 nan 4.420 nan 0.000 0.269 897 P C -0.184 177.130 177.300 0.022 0.000 1.209 897 P CA -0.028 63.080 63.100 0.013 0.000 0.776 897 P CB 1.447 33.153 31.700 0.009 0.000 0.876 898 A N 0.022 122.859 122.820 0.028 0.000 2.911 898 A HA 0.614 4.934 4.320 -0.000 0.000 0.304 898 A C 0.295 177.897 177.584 0.030 0.000 1.144 898 A CA 0.511 52.571 52.037 0.037 0.000 0.988 898 A CB -0.779 18.254 19.000 0.055 0.000 1.141 898 A HN 0.730 nan 8.150 nan 0.000 0.552 899 D N 0.000 120.412 120.400 0.020 0.000 6.856 899 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683