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 1qik_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNCQQYVDE QFPGFSGSEM WNPNREMSED CLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE CNLNSDEELI HCLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVICP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMCVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.643 174.600 0.071 0.000 1.055 4 S CA 0.000 58.227 58.200 0.046 0.000 1.107 4 S CB 0.000 63.224 63.200 0.040 0.000 0.593 5 E N 2.744 122.988 120.200 0.073 0.000 2.209 5 E HA -0.060 4.290 4.350 -0.001 0.000 0.196 5 E C 1.091 177.790 176.600 0.165 0.000 0.993 5 E CA 1.289 57.756 56.400 0.112 0.000 0.819 5 E CB -0.070 29.687 29.700 0.095 0.000 0.745 5 E HN 0.737 nan 8.360 nan 0.000 0.477 6 L N 0.824 122.105 121.223 0.097 0.000 2.591 6 L HA 0.134 4.474 4.340 -0.001 0.000 0.228 6 L C 0.246 177.219 176.870 0.172 0.000 1.133 6 L CA -0.360 54.504 54.840 0.040 0.000 0.880 6 L CB 0.256 42.270 42.059 -0.076 0.000 1.033 6 L HN 0.135 nan 8.230 nan 0.000 0.450 7 L N 0.530 121.877 121.223 0.206 0.000 2.313 7 L HA 0.560 4.900 4.340 -0.001 0.000 0.283 7 L C -0.661 176.325 176.870 0.192 0.000 1.013 7 L CA -0.292 54.677 54.840 0.216 0.000 0.816 7 L CB 1.692 43.823 42.059 0.120 0.000 1.236 7 L HN -0.329 nan 8.230 nan 0.000 0.419 8 V N 4.423 124.449 119.914 0.187 0.000 2.638 8 V HA 0.461 4.581 4.120 -0.001 0.000 0.306 8 V C -0.706 175.330 176.094 -0.097 0.000 1.052 8 V CA -0.774 61.475 62.300 -0.086 0.000 0.885 8 V CB 2.023 33.533 31.823 -0.521 0.000 0.999 8 V HN 0.787 nan 8.190 nan 0.000 0.424 9 N N 3.082 121.657 118.700 -0.209 0.000 2.527 9 N HA 0.392 5.132 4.740 -0.001 0.000 0.236 9 N C -0.011 175.206 175.510 -0.488 0.000 0.999 9 N CA -0.172 52.728 53.050 -0.250 0.000 0.935 9 N CB 1.196 39.540 38.487 -0.238 0.000 1.132 9 N HN 0.886 nan 8.380 nan 0.000 0.511 10 T N 0.167 114.521 114.554 -0.332 0.000 2.849 10 T HA 0.307 4.657 4.350 -0.001 0.000 0.276 10 T C 1.037 175.485 174.700 -0.421 0.000 0.971 10 T CA -0.415 61.459 62.100 -0.376 0.000 0.949 10 T CB 0.918 69.784 68.868 -0.005 0.000 1.093 10 T HN 0.379 nan 8.240 nan 0.000 0.545 11 K N 0.034 120.228 120.400 -0.344 0.000 2.486 11 K HA 0.090 4.410 4.320 -0.001 0.000 0.194 11 K C 1.827 178.279 176.600 -0.247 0.000 1.033 11 K CA 0.381 56.508 56.287 -0.266 0.000 1.004 11 K CB 0.040 32.445 32.500 -0.158 0.000 0.798 11 K HN 0.396 nan 8.250 nan 0.000 0.495 12 S N -0.195 115.338 115.700 -0.278 0.000 2.511 12 S HA 0.199 4.669 4.470 -0.001 0.000 0.214 12 S C 0.469 174.316 174.600 -1.255 0.000 0.997 12 S CA 0.238 58.157 58.200 -0.468 0.000 0.908 12 S CB 1.047 64.200 63.200 -0.078 0.000 0.803 12 S HN 0.545 nan 8.310 nan 0.000 0.504 13 G N 1.011 109.234 108.800 -0.961 0.000 2.369 13 G HA2 0.138 4.098 3.960 -0.001 0.000 0.295 13 G HA3 0.138 4.098 3.960 -0.001 0.000 0.295 13 G C -1.821 172.931 174.900 -0.246 0.000 1.298 13 G CA -1.119 43.377 45.100 -1.008 0.000 0.940 13 G HN 0.092 nan 8.290 nan 0.000 0.536 14 K N -0.752 119.718 120.400 0.118 0.000 2.185 14 K HA 0.636 4.955 4.320 -0.001 0.000 0.271 14 K C -0.518 176.451 176.600 0.615 0.000 1.013 14 K CA -0.514 55.950 56.287 0.295 0.000 0.943 14 K CB 1.862 34.491 32.500 0.214 0.000 0.998 14 K HN 0.353 nan 8.250 nan 0.000 0.468 15 V N 3.292 123.501 119.914 0.493 0.000 2.577 15 V HA 0.258 4.377 4.120 -0.001 0.000 0.303 15 V C -0.923 175.478 176.094 0.512 0.000 1.042 15 V CA -0.860 61.797 62.300 0.594 0.000 0.872 15 V CB 1.657 33.889 31.823 0.681 0.000 0.998 15 V HN 0.733 nan 8.190 nan 0.000 0.423 16 M N 4.658 124.499 119.600 0.402 0.000 2.061 16 M HA 0.714 5.194 4.480 -0.001 0.000 0.346 16 M C 0.382 176.748 176.300 0.111 0.000 1.112 16 M CA 0.220 55.659 55.300 0.231 0.000 1.021 16 M CB 0.687 33.361 32.600 0.124 0.000 1.530 16 M HN 0.759 nan 8.290 nan 0.000 0.437 17 G N 1.847 110.561 108.800 -0.143 0.000 2.531 17 G HA2 0.609 4.569 3.960 -0.001 0.000 0.281 17 G HA3 0.609 4.569 3.960 -0.001 0.000 0.281 17 G C -0.942 173.735 174.900 -0.372 0.000 1.382 17 G CA -0.354 44.391 45.100 -0.591 0.000 1.045 17 G HN 0.654 nan 8.290 nan 0.000 0.533 18 T N -1.979 112.343 114.554 -0.387 0.000 2.903 18 T HA 0.545 4.894 4.350 -0.001 0.000 0.299 18 T C -0.545 174.051 174.700 -0.173 0.000 1.093 18 T CA -0.750 61.219 62.100 -0.218 0.000 1.002 18 T CB 1.602 70.375 68.868 -0.159 0.000 1.127 18 T HN 0.673 nan 8.240 nan 0.000 0.488 19 R N 2.593 123.034 120.500 -0.098 0.000 2.297 19 R HA 0.670 5.009 4.340 -0.001 0.000 0.308 19 R C -0.606 175.710 176.300 0.026 0.000 1.029 19 R CA -0.558 55.523 56.100 -0.031 0.000 0.929 19 R CB 0.608 30.876 30.300 -0.055 0.000 1.046 19 R HN 0.566 nan 8.270 nan 0.000 0.461 20 V N 1.955 121.925 119.914 0.094 0.000 2.735 20 V HA 0.709 4.828 4.120 -0.001 0.000 0.310 20 V C -2.600 173.568 176.094 0.122 0.000 1.061 20 V CA -2.679 59.681 62.300 0.100 0.000 0.913 20 V CB 1.755 33.618 31.823 0.066 0.000 1.005 20 V HN 0.815 nan 8.190 nan 0.000 0.428 21 P HA 0.457 nan 4.420 nan 0.000 0.284 21 P C -0.976 176.159 177.300 -0.275 0.000 1.253 21 P CA -0.229 62.726 63.100 -0.241 0.000 0.800 21 P CB 2.041 33.643 31.700 -0.162 0.000 0.961 22 V N 5.707 125.374 119.914 -0.411 0.000 2.737 22 V HA 0.160 4.280 4.120 -0.001 0.000 0.298 22 V C 0.140 175.933 176.094 -0.501 0.000 1.163 22 V CA -0.797 61.256 62.300 -0.412 0.000 0.925 22 V CB 0.907 32.456 31.823 -0.456 0.000 1.037 22 V HN 0.513 nan 8.190 nan 0.000 0.433 23 L N 5.977 127.052 121.223 -0.246 0.000 3.739 23 L HA -0.196 4.143 4.340 -0.001 0.000 0.442 23 L C 0.852 177.578 176.870 -0.241 0.000 1.241 23 L CA 0.979 55.705 54.840 -0.190 0.000 0.819 23 L CB -1.484 40.482 42.059 -0.155 0.000 1.679 23 L HN 1.598 nan 8.230 nan 0.000 0.889 24 S N -2.430 113.130 115.700 -0.234 0.000 3.608 24 S HA -0.143 4.327 4.470 -0.001 0.000 0.382 24 S C 0.011 174.464 174.600 -0.246 0.000 0.945 24 S CA 1.004 59.080 58.200 -0.207 0.000 1.256 24 S CB -1.158 61.984 63.200 -0.097 0.000 0.913 24 S HN 1.061 nan 8.310 nan 0.000 0.518 25 S N 0.074 115.511 115.700 -0.439 0.000 2.714 25 S HA 0.763 5.232 4.470 -0.001 0.000 0.280 25 S C -1.731 172.494 174.600 -0.625 0.000 1.200 25 S CA -0.576 57.414 58.200 -0.349 0.000 0.900 25 S CB 0.859 63.916 63.200 -0.240 0.000 1.235 25 S HN 0.902 nan 8.310 nan 0.000 0.512 26 H N -0.041 119.004 119.070 -0.042 0.000 2.961 26 H HA 0.790 5.345 4.556 -0.001 0.000 0.371 26 H C -0.551 174.822 175.328 0.075 0.000 1.190 26 H CA -0.255 55.787 56.048 -0.011 0.000 1.138 26 H CB 1.590 31.356 29.762 0.006 0.000 1.816 26 H HN 0.751 nan 8.280 nan 0.000 0.551 27 I N -1.967 118.728 120.570 0.209 0.000 3.191 27 I HA 0.711 4.881 4.170 -0.001 0.000 0.313 27 I C -1.036 175.195 176.117 0.191 0.000 1.193 27 I CA -0.944 60.491 61.300 0.225 0.000 0.968 27 I CB 2.587 40.745 38.000 0.264 0.000 1.262 27 I HN 0.420 nan 8.210 nan 0.000 0.456 28 S N 1.750 117.571 115.700 0.202 0.000 2.616 28 S HA 0.844 5.314 4.470 -0.001 0.000 0.277 28 S C -0.254 174.417 174.600 0.119 0.000 1.234 28 S CA -0.477 57.788 58.200 0.110 0.000 1.028 28 S CB 1.503 64.807 63.200 0.174 0.000 0.988 28 S HN 0.911 nan 8.310 nan 0.000 0.522 29 A N 1.867 124.610 122.820 -0.128 0.000 2.402 29 A HA 0.708 5.028 4.320 -0.001 0.000 0.291 29 A C -1.471 175.898 177.584 -0.359 0.000 1.051 29 A CA -0.644 51.269 52.037 -0.207 0.000 0.716 29 A CB 0.483 19.351 19.000 -0.219 0.000 1.223 29 A HN 0.598 nan 8.150 nan 0.000 0.425 30 F N 2.846 122.692 119.950 -0.175 0.000 2.325 30 F HA 0.529 5.056 4.527 -0.000 0.000 0.369 30 F C -0.075 175.615 175.800 -0.184 0.000 1.095 30 F CA -0.495 57.473 58.000 -0.053 0.000 1.082 30 F CB 1.278 40.353 39.000 0.126 0.000 1.289 30 F HN 0.368 nan 8.300 nan 0.000 0.462 31 L N 2.261 123.453 121.223 -0.051 0.000 2.325 31 L HA 0.706 5.046 4.340 -0.001 0.000 0.278 31 L C 0.939 177.840 176.870 0.051 0.000 1.023 31 L CA -0.921 53.867 54.840 -0.086 0.000 0.811 31 L CB 1.653 43.569 42.059 -0.238 0.000 1.249 31 L HN 0.832 nan 8.230 nan 0.000 0.431 32 G N 2.896 111.744 108.800 0.080 0.000 2.160 32 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.244 32 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.244 32 G C 0.006 174.970 174.900 0.107 0.000 1.022 32 G CA -0.388 44.751 45.100 0.065 0.000 0.741 32 G HN 0.484 nan 8.290 nan 0.000 0.508 33 I N 2.243 122.817 120.570 0.007 0.000 2.556 33 I HA 0.215 4.385 4.170 -0.001 0.000 0.284 33 I C -1.259 174.670 176.117 -0.313 0.000 1.114 33 I CA -1.806 59.334 61.300 -0.266 0.000 1.418 33 I CB 0.825 38.664 38.000 -0.268 0.000 1.394 33 I HN 0.004 nan 8.210 nan 0.000 0.552 34 P HA 0.115 nan 4.420 nan 0.000 0.282 34 P C -0.430 176.531 177.300 -0.566 0.000 1.249 34 P CA -0.130 62.594 63.100 -0.628 0.000 0.806 34 P CB 0.941 32.201 31.700 -0.734 0.000 0.984 35 F N -0.191 119.455 119.950 -0.507 0.000 2.798 35 F HA 0.753 5.280 4.527 -0.001 0.000 0.328 35 F C -0.171 175.514 175.800 -0.192 0.000 1.098 35 F CA -1.012 56.733 58.000 -0.425 0.000 1.172 35 F CB -0.040 38.695 39.000 -0.442 0.000 1.072 35 F HN 0.398 nan 8.300 nan 0.000 0.555 36 A N -0.046 122.570 122.820 -0.340 0.000 2.609 36 A HA 0.624 4.944 4.320 -0.001 0.000 0.291 36 A C -1.037 176.402 177.584 -0.241 0.000 1.096 36 A CA -0.768 51.168 52.037 -0.168 0.000 0.684 36 A CB 1.062 19.985 19.000 -0.129 0.000 1.282 36 A HN 0.052 nan 8.150 nan 0.000 0.412 37 E N 0.897 121.026 120.200 -0.118 0.000 2.354 37 E HA 0.313 4.662 4.350 -0.001 0.000 0.269 37 E C -2.373 174.140 176.600 -0.144 0.000 1.036 37 E CA -1.528 54.812 56.400 -0.100 0.000 0.876 37 E CB 0.279 29.959 29.700 -0.033 0.000 1.009 37 E HN 0.227 nan 8.360 nan 0.000 0.416 38 P HA -0.029 nan 4.420 nan 0.000 0.256 38 P C -2.073 175.163 177.300 -0.107 0.000 1.173 38 P CA -0.501 62.518 63.100 -0.134 0.000 0.768 38 P CB 0.002 31.659 31.700 -0.073 0.000 0.758 39 P HA -0.033 nan 4.420 nan 0.000 0.261 39 P C 0.083 177.313 177.300 -0.116 0.000 1.650 39 P CA 0.226 63.264 63.100 -0.104 0.000 0.846 39 P CB -0.202 31.437 31.700 -0.102 0.000 1.758 40 V N -3.665 116.189 119.914 -0.101 0.000 3.463 40 V HA 0.803 4.923 4.120 -0.001 0.000 0.302 40 V C 1.343 177.382 176.094 -0.092 0.000 1.097 40 V CA 0.068 62.305 62.300 -0.104 0.000 1.003 40 V CB -0.050 31.724 31.823 -0.083 0.000 1.229 40 V HN 0.440 nan 8.190 nan 0.000 0.444 41 G N 0.727 109.475 108.800 -0.087 0.000 2.672 41 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.324 41 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.324 41 G C 0.602 175.452 174.900 -0.083 0.000 1.286 41 G CA 1.190 46.246 45.100 -0.074 0.000 1.004 41 G HN 1.079 nan 8.290 nan 0.000 0.548 42 N N 0.509 119.176 118.700 -0.055 0.000 2.609 42 N HA 0.149 4.888 4.740 -0.001 0.000 0.190 42 N C 2.170 177.656 175.510 -0.040 0.000 1.157 42 N CA 0.864 53.890 53.050 -0.040 0.000 0.918 42 N CB -0.105 38.375 38.487 -0.012 0.000 0.978 42 N HN 0.490 nan 8.380 nan 0.000 0.448 43 M N -0.580 118.984 119.600 -0.060 0.000 2.556 43 M HA 0.051 4.531 4.480 -0.001 0.000 0.245 43 M C 0.580 176.820 176.300 -0.099 0.000 1.128 43 M CA -0.086 55.180 55.300 -0.057 0.000 1.069 43 M CB 0.302 32.870 32.600 -0.052 0.000 1.469 43 M HN 0.006 nan 8.290 nan 0.000 0.494 44 R N 0.582 120.969 120.500 -0.189 0.000 2.640 44 R HA -0.094 4.245 4.340 -0.001 0.000 0.270 44 R C -0.234 175.849 176.300 -0.361 0.000 1.024 44 R CA 0.641 56.495 56.100 -0.410 0.000 1.085 44 R CB 0.213 30.115 30.300 -0.663 0.000 0.963 44 R HN 0.228 nan 8.270 nan 0.000 0.426 45 F N -1.163 118.791 119.950 0.008 0.000 2.778 45 F HA -0.330 4.197 4.527 -0.001 0.000 0.399 45 F C 0.718 176.499 175.800 -0.031 0.000 0.604 45 F CA 1.496 59.476 58.000 -0.034 0.000 1.106 45 F CB -1.555 37.412 39.000 -0.055 0.000 1.643 45 F HN 0.647 nan 8.300 nan 0.000 0.290 46 R N 1.434 121.991 120.500 0.094 0.000 2.528 46 R HA 0.514 4.854 4.340 -0.001 0.000 0.271 46 R C 0.504 176.826 176.300 0.036 0.000 1.056 46 R CA -0.686 55.451 56.100 0.061 0.000 1.117 46 R CB 0.780 31.101 30.300 0.035 0.000 1.085 46 R HN 0.112 nan 8.270 nan 0.000 0.530 47 R N 2.726 123.248 120.500 0.037 0.000 2.698 47 R HA 0.064 4.404 4.340 -0.001 0.000 0.266 47 R C -1.886 174.434 176.300 0.033 0.000 1.026 47 R CA -0.902 55.220 56.100 0.036 0.000 1.102 47 R CB 0.044 30.369 30.300 0.042 0.000 0.978 47 R HN 0.510 nan 8.270 nan 0.000 0.436 48 P HA 0.044 nan 4.420 nan 0.000 0.275 48 P C -0.911 176.420 177.300 0.052 0.000 1.228 48 P CA 0.087 63.215 63.100 0.046 0.000 0.786 48 P CB 0.936 32.690 31.700 0.090 0.000 0.927 49 E N 2.275 122.497 120.200 0.038 0.000 2.212 49 E HA 0.413 4.762 4.350 -0.001 0.000 0.268 49 E C -2.374 174.262 176.600 0.060 0.000 0.902 49 E CA -2.544 53.882 56.400 0.045 0.000 0.779 49 E CB 0.685 30.403 29.700 0.029 0.000 1.172 49 E HN 0.297 nan 8.360 nan 0.000 0.409 50 P HA -0.071 nan 4.420 nan 0.000 0.264 50 P C -0.288 177.071 177.300 0.097 0.000 1.183 50 P CA 0.077 63.246 63.100 0.114 0.000 0.763 50 P CB 0.385 32.153 31.700 0.113 0.000 0.807 51 K N 3.742 124.209 120.400 0.112 0.000 2.412 51 K HA 0.040 4.360 4.320 -0.001 0.000 0.281 51 K C -0.077 176.616 176.600 0.156 0.000 1.027 51 K CA 0.324 56.671 56.287 0.100 0.000 0.989 51 K CB 0.037 32.587 32.500 0.083 0.000 0.935 51 K HN 0.209 nan 8.250 nan 0.000 0.475 52 K N 5.623 126.109 120.400 0.143 0.000 2.401 52 K HA 0.129 4.449 4.320 -0.001 0.000 0.278 52 K C -2.167 174.555 176.600 0.204 0.000 1.018 52 K CA -1.616 54.756 56.287 0.141 0.000 0.981 52 K CB 0.435 33.006 32.500 0.118 0.000 0.933 52 K HN 0.533 nan 8.250 nan 0.000 0.477 53 P HA -0.088 nan 4.420 nan 0.000 0.269 53 P C -1.378 176.001 177.300 0.131 0.000 1.211 53 P CA 0.173 63.253 63.100 -0.034 0.000 0.781 53 P CB 0.274 31.907 31.700 -0.111 0.000 0.877 54 W N -0.042 121.322 121.300 0.107 0.000 2.936 54 W HA 0.711 5.370 4.660 -0.000 0.000 0.338 54 W C -1.190 175.400 176.519 0.118 0.000 1.121 54 W CA -0.717 56.709 57.345 0.134 0.000 1.209 54 W CB 0.276 29.869 29.460 0.222 0.000 1.420 54 W HN 0.090 nan 8.180 nan 0.000 0.516 55 S N 1.602 117.486 115.700 0.307 0.000 2.672 55 S HA 0.810 5.279 4.470 -0.001 0.000 0.276 55 S C 0.443 175.232 174.600 0.315 0.000 1.207 55 S CA 0.558 58.877 58.200 0.199 0.000 1.002 55 S CB 0.969 64.245 63.200 0.126 0.000 0.998 55 S HN 1.581 nan 8.310 nan 0.000 0.542 56 G N 0.035 108.968 108.800 0.221 0.000 2.725 56 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.220 56 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.220 56 G C -1.010 174.086 174.900 0.328 0.000 1.357 56 G CA -0.517 44.714 45.100 0.219 0.000 0.866 56 G HN 0.924 nan 8.290 nan 0.000 0.548 57 V N 0.790 120.860 119.914 0.260 0.000 2.435 57 V HA 0.583 4.703 4.120 -0.001 0.000 0.290 57 V C 0.318 176.582 176.094 0.285 0.000 1.030 57 V CA -0.564 61.925 62.300 0.314 0.000 0.881 57 V CB 1.861 33.800 31.823 0.193 0.000 0.983 57 V HN 0.759 nan 8.190 nan 0.000 0.445 58 W N 4.981 126.392 121.300 0.184 0.000 2.322 58 W HA 0.289 4.949 4.660 -0.000 0.000 0.307 58 W C 0.068 176.586 176.519 -0.002 0.000 1.220 58 W CA -0.571 56.730 57.345 -0.074 0.000 1.210 58 W CB 1.067 30.313 29.460 -0.356 0.000 1.223 58 W HN 0.614 nan 8.180 nan 0.000 0.511 59 N N 4.632 123.108 118.700 -0.374 0.000 2.402 59 N HA 0.200 4.940 4.740 -0.001 0.000 0.259 59 N C -0.607 174.874 175.510 -0.048 0.000 1.167 59 N CA 0.237 53.172 53.050 -0.191 0.000 0.949 59 N CB 0.786 39.096 38.487 -0.295 0.000 1.212 59 N HN 0.391 nan 8.380 nan 0.000 0.493 60 A N 2.751 125.679 122.820 0.181 0.000 3.219 60 A HA 0.234 4.554 4.320 -0.001 0.000 0.314 60 A C 0.839 178.438 177.584 0.024 0.000 1.081 60 A CA -0.501 51.667 52.037 0.219 0.000 0.995 60 A CB -0.383 18.851 19.000 0.391 0.000 1.067 60 A HN 0.592 nan 8.150 nan 0.000 0.533 61 S N -1.047 114.622 115.700 -0.052 0.000 2.559 61 S HA 0.215 4.685 4.470 -0.001 0.000 0.226 61 S C 0.623 175.138 174.600 -0.141 0.000 1.000 61 S CA 0.511 58.641 58.200 -0.117 0.000 0.948 61 S CB -0.191 62.944 63.200 -0.109 0.000 0.870 61 S HN 0.912 nan 8.310 nan 0.000 0.497 62 T N -0.794 113.689 114.554 -0.118 0.000 2.909 62 T HA 0.642 4.992 4.350 -0.001 0.000 0.299 62 T C -0.791 173.876 174.700 -0.055 0.000 1.073 62 T CA -0.712 61.316 62.100 -0.119 0.000 0.999 62 T CB 0.743 69.563 68.868 -0.079 0.000 1.098 62 T HN 0.059 nan 8.240 nan 0.000 0.477 63 Y N 3.043 123.318 120.300 -0.041 0.000 2.757 63 Y HA 0.270 4.820 4.550 -0.001 0.000 0.344 63 Y C -1.193 174.648 175.900 -0.099 0.000 1.263 63 Y CA -1.038 57.038 58.100 -0.040 0.000 1.493 63 Y CB -0.004 38.456 38.460 0.001 0.000 1.342 63 Y HN 0.574 nan 8.280 nan 0.000 0.627 64 P HA 0.110 nan 4.420 nan 0.000 0.302 64 P C -0.665 176.573 177.300 -0.104 0.000 1.307 64 P CA -0.457 62.530 63.100 -0.188 0.000 0.754 64 P CB 0.996 32.516 31.700 -0.300 0.000 1.298 65 N N -0.367 118.256 118.700 -0.129 0.000 2.434 65 N HA 0.194 4.934 4.740 -0.001 0.000 0.266 65 N C -0.102 175.395 175.510 -0.020 0.000 1.223 65 N CA -0.220 52.796 53.050 -0.056 0.000 0.972 65 N CB 0.173 38.636 38.487 -0.041 0.000 1.207 65 N HN 0.393 nan 8.380 nan 0.000 0.525 66 N N -0.556 118.120 118.700 -0.039 0.000 2.456 66 N HA 0.396 5.135 4.740 -0.001 0.000 0.296 66 N C 0.217 175.702 175.510 -0.043 0.000 1.102 66 N CA -0.719 52.302 53.050 -0.048 0.000 0.924 66 N CB 1.200 39.641 38.487 -0.078 0.000 1.186 66 N HN 0.621 nan 8.380 nan 0.000 0.492 67 C N 1.239 120.517 119.300 -0.038 0.000 2.702 67 C HA 0.045 4.505 4.460 -0.001 0.000 0.411 67 C C 0.936 175.881 174.990 -0.074 0.000 1.286 67 C CA 0.059 59.045 59.018 -0.053 0.000 1.979 67 C CB -0.219 27.513 27.740 -0.013 0.000 2.728 67 C HN 0.515 nan 8.230 nan 0.000 0.652 68 Q N 2.835 122.529 119.800 -0.176 0.000 2.271 68 Q HA 0.324 4.664 4.340 -0.001 0.000 0.273 68 Q C 0.119 176.144 176.000 0.041 0.000 1.051 68 Q CA 1.008 56.700 55.803 -0.186 0.000 0.901 68 Q CB 0.717 29.101 28.738 -0.590 0.000 1.174 68 Q HN 0.943 nan 8.270 nan 0.000 0.385 69 Q N 1.683 121.564 119.800 0.135 0.000 2.626 69 Q HA 0.388 4.728 4.340 -0.001 0.000 0.300 69 Q C -1.270 174.919 176.000 0.315 0.000 0.988 69 Q CA -1.050 54.918 55.803 0.274 0.000 0.761 69 Q CB 1.037 29.904 28.738 0.215 0.000 1.494 69 Q HN 0.454 nan 8.270 nan 0.000 0.439 70 Y N 0.782 121.275 120.300 0.321 0.000 2.319 70 Y HA 0.481 5.031 4.550 -0.001 0.000 0.328 70 Y C -1.141 174.934 175.900 0.291 0.000 1.133 70 Y CA -0.168 58.135 58.100 0.338 0.000 1.265 70 Y CB 1.165 39.906 38.460 0.468 0.000 1.218 70 Y HN 0.432 nan 8.280 nan 0.000 0.508 71 V N 6.116 125.720 119.914 -0.517 0.000 2.495 71 V HA 0.165 4.284 4.120 -0.001 0.000 0.298 71 V C -0.727 175.090 176.094 -0.461 0.000 1.031 71 V CA -1.045 61.079 62.300 -0.293 0.000 0.871 71 V CB 1.631 33.367 31.823 -0.145 0.000 0.988 71 V HN 0.790 nan 8.190 nan 0.000 0.432 72 D N 3.099 123.475 120.400 -0.041 0.000 2.348 72 D HA 0.197 4.837 4.640 -0.001 0.000 0.253 72 D C 0.411 176.774 176.300 0.105 0.000 1.161 72 D CA 0.273 54.356 54.000 0.139 0.000 0.876 72 D CB 1.103 42.126 40.800 0.372 0.000 1.160 72 D HN 0.672 nan 8.370 nan 0.000 0.459 73 E N 2.176 122.414 120.200 0.064 0.000 2.758 73 E HA -0.029 4.320 4.350 -0.001 0.000 0.215 73 E C 0.696 177.276 176.600 -0.033 0.000 0.985 73 E CA -0.080 56.338 56.400 0.030 0.000 1.102 73 E CB 0.629 30.319 29.700 -0.017 0.000 1.042 73 E HN 0.402 nan 8.360 nan 0.000 0.480 74 Q N -0.103 119.651 119.800 -0.077 0.000 2.291 74 Q HA -0.066 4.273 4.340 -0.001 0.000 0.206 74 Q C -0.338 175.163 176.000 -0.832 0.000 0.976 74 Q CA 1.306 56.804 55.803 -0.508 0.000 0.875 74 Q CB 0.188 28.459 28.738 -0.778 0.000 0.927 74 Q HN 0.112 nan 8.270 nan 0.000 0.450 75 F N -0.019 119.977 119.950 0.077 0.000 2.794 75 F HA 0.403 4.930 4.527 -0.001 0.000 0.353 75 F C -2.299 173.566 175.800 0.109 0.000 1.371 75 F CA -2.830 55.199 58.000 0.049 0.000 1.173 75 F CB 1.157 40.182 39.000 0.042 0.000 1.693 75 F HN -0.148 nan 8.300 nan 0.000 0.606 76 P HA 0.158 nan 4.420 nan 0.000 0.261 76 P C 1.041 178.430 177.300 0.147 0.000 1.173 76 P CA 1.590 64.768 63.100 0.129 0.000 0.760 76 P CB 0.783 32.521 31.700 0.064 0.000 0.783 77 G N 3.169 112.044 108.800 0.124 0.000 2.417 77 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.233 77 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.233 77 G C 0.203 175.177 174.900 0.123 0.000 1.103 77 G CA -0.298 44.859 45.100 0.096 0.000 0.647 77 G HN 0.548 nan 8.290 nan 0.000 0.512 78 F N 3.839 123.784 119.950 -0.009 0.000 2.569 78 F HA 0.353 4.880 4.527 -0.001 0.000 0.395 78 F C 1.916 177.653 175.800 -0.106 0.000 1.028 78 F CA 0.454 58.392 58.000 -0.103 0.000 1.158 78 F CB 0.738 39.661 39.000 -0.128 0.000 1.023 78 F HN 0.411 nan 8.300 nan 0.000 0.547 79 S N 3.451 118.843 115.700 -0.514 0.000 2.399 79 S HA -0.119 4.350 4.470 -0.001 0.000 0.231 79 S C 2.336 176.572 174.600 -0.607 0.000 1.022 79 S CA 0.800 58.723 58.200 -0.462 0.000 0.983 79 S CB -1.213 61.737 63.200 -0.417 0.000 0.803 79 S HN 0.796 nan 8.310 nan 0.000 0.480 80 G N 1.655 109.628 108.800 -1.377 0.000 2.507 80 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.221 80 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.221 80 G C 1.662 176.663 174.900 0.169 0.000 1.119 80 G CA 1.475 45.891 45.100 -1.139 0.000 0.751 80 G HN 0.855 nan 8.290 nan 0.000 0.574 81 S N -1.018 114.853 115.700 0.285 0.000 2.539 81 S HA 0.194 4.664 4.470 -0.001 0.000 0.226 81 S C 1.716 176.610 174.600 0.490 0.000 1.054 81 S CA 0.580 59.272 58.200 0.820 0.000 0.910 81 S CB 0.199 64.029 63.200 1.050 0.000 0.818 81 S HN 0.382 nan 8.310 nan 0.000 0.490 82 E N 1.945 122.271 120.200 0.211 0.000 2.274 82 E HA 0.027 4.377 4.350 -0.001 0.000 0.194 82 E C 1.894 178.463 176.600 -0.051 0.000 0.996 82 E CA 1.118 57.575 56.400 0.095 0.000 0.840 82 E CB -0.366 29.358 29.700 0.042 0.000 0.772 82 E HN 0.837 nan 8.360 nan 0.000 0.491 83 M N -1.724 117.743 119.600 -0.222 0.000 2.700 83 M HA -0.038 4.441 4.480 -0.001 0.000 0.249 83 M C 0.598 176.502 176.300 -0.659 0.000 1.082 83 M CA 1.234 56.236 55.300 -0.497 0.000 1.077 83 M CB -0.210 31.965 32.600 -0.710 0.000 1.477 83 M HN 0.050 nan 8.290 nan 0.000 0.529 84 W N 0.093 121.348 121.300 -0.074 0.000 2.940 84 W HA 0.310 4.970 4.660 -0.001 0.000 0.297 84 W C 0.480 176.941 176.519 -0.096 0.000 1.149 84 W CA -0.880 56.394 57.345 -0.118 0.000 1.564 84 W CB 0.057 29.475 29.460 -0.071 0.000 1.010 84 W HN 0.068 nan 8.180 nan 0.000 0.578 85 N N 1.947 120.727 118.700 0.134 0.000 2.371 85 N HA 0.108 4.847 4.740 -0.001 0.000 0.243 85 N C -2.491 173.012 175.510 -0.012 0.000 1.287 85 N CA -0.899 52.194 53.050 0.071 0.000 0.911 85 N CB -0.305 38.222 38.487 0.067 0.000 1.142 85 N HN -0.353 nan 8.380 nan 0.000 0.451 86 P HA 0.080 nan 4.420 nan 0.000 0.268 86 P C 0.020 177.280 177.300 -0.066 0.000 1.204 86 P CA -0.068 62.993 63.100 -0.065 0.000 0.768 86 P CB 0.241 31.911 31.700 -0.050 0.000 0.842 87 N N 1.995 120.640 118.700 -0.092 0.000 2.251 87 N HA 0.085 4.825 4.740 -0.001 0.000 0.217 87 N C 0.089 175.564 175.510 -0.058 0.000 1.124 87 N CA -0.107 52.897 53.050 -0.077 0.000 0.843 87 N CB 0.312 38.741 38.487 -0.096 0.000 1.024 87 N HN 0.143 nan 8.380 nan 0.000 0.501 88 R N -0.413 120.051 120.500 -0.060 0.000 2.817 88 R HA 0.295 4.634 4.340 -0.001 0.000 0.268 88 R C -0.878 175.396 176.300 -0.043 0.000 1.027 88 R CA -0.787 55.286 56.100 -0.045 0.000 0.928 88 R CB 0.668 30.937 30.300 -0.051 0.000 1.228 88 R HN 0.095 nan 8.270 nan 0.000 0.469 89 E N 1.306 121.484 120.200 -0.038 0.000 2.465 89 E HA 0.005 4.355 4.350 -0.001 0.000 0.260 89 E C -0.205 176.370 176.600 -0.043 0.000 0.980 89 E CA 0.591 56.969 56.400 -0.037 0.000 0.927 89 E CB 0.443 30.120 29.700 -0.038 0.000 0.934 89 E HN 0.220 nan 8.360 nan 0.000 0.459 90 M N 2.271 121.846 119.600 -0.042 0.000 2.250 90 M HA 0.251 4.730 4.480 -0.001 0.000 0.344 90 M C -0.168 176.093 176.300 -0.065 0.000 1.150 90 M CA 0.151 55.420 55.300 -0.053 0.000 1.147 90 M CB 1.333 33.906 32.600 -0.046 0.000 1.498 90 M HN 0.403 nan 8.290 nan 0.000 0.461 91 S N 0.582 116.231 115.700 -0.085 0.000 2.542 91 S HA 0.203 4.672 4.470 -0.001 0.000 0.276 91 S C 0.106 174.619 174.600 -0.146 0.000 1.148 91 S CA -0.708 57.434 58.200 -0.097 0.000 0.886 91 S CB 1.426 64.596 63.200 -0.050 0.000 1.109 91 S HN 0.851 nan 8.310 nan 0.000 0.458 92 E N 1.128 121.209 120.200 -0.198 0.000 2.333 92 E HA -0.123 4.226 4.350 -0.001 0.000 0.198 92 E C -0.277 176.228 176.600 -0.157 0.000 1.007 92 E CA 0.756 56.999 56.400 -0.260 0.000 0.845 92 E CB 0.085 29.623 29.700 -0.270 0.000 0.766 92 E HN 0.555 nan 8.360 nan 0.000 0.507 93 D N -0.812 119.538 120.400 -0.085 0.000 2.558 93 D HA 0.073 4.712 4.640 -0.001 0.000 0.221 93 D C 0.275 176.625 176.300 0.084 0.000 1.143 93 D CA -0.077 53.908 54.000 -0.025 0.000 1.010 93 D CB 0.041 40.860 40.800 0.033 0.000 1.068 93 D HN 0.244 nan 8.370 nan 0.000 0.511 94 C N 3.706 123.000 119.300 -0.010 0.000 3.188 94 C HA 0.330 4.790 4.460 -0.001 0.000 0.315 94 C C 1.241 176.212 174.990 -0.031 0.000 1.285 94 C CA -0.317 58.741 59.018 0.068 0.000 1.729 94 C CB -0.602 27.140 27.740 0.003 0.000 2.257 94 C HN 0.523 nan 8.230 nan 0.000 0.645 95 L N 2.120 123.087 121.223 -0.428 0.000 2.505 95 L HA 0.267 4.606 4.340 -0.001 0.000 0.275 95 L C -0.920 175.115 176.870 -1.393 0.000 1.264 95 L CA 0.563 54.897 54.840 -0.843 0.000 1.148 95 L CB -1.397 40.087 42.059 -0.959 0.000 1.377 95 L HN 0.494 nan 8.230 nan 0.000 0.442 96 Y N 1.960 121.995 120.300 -0.441 0.000 2.638 96 Y HA 0.696 5.245 4.550 -0.000 0.000 0.339 96 Y C -0.119 175.833 175.900 0.087 0.000 1.084 96 Y CA -1.344 56.591 58.100 -0.276 0.000 1.068 96 Y CB 1.826 40.200 38.460 -0.143 0.000 1.294 96 Y HN 0.184 nan 8.280 nan 0.000 0.480 97 L N -0.344 121.024 121.223 0.243 0.000 2.327 97 L HA 0.762 5.102 4.340 -0.001 0.000 0.258 97 L C -1.402 175.529 176.870 0.103 0.000 1.024 97 L CA -1.215 53.755 54.840 0.218 0.000 0.825 97 L CB 1.865 44.026 42.059 0.171 0.000 1.386 97 L HN 0.481 nan 8.230 nan 0.000 0.417 98 N N 1.557 120.318 118.700 0.102 0.000 2.284 98 N HA 0.675 5.415 4.740 -0.001 0.000 0.300 98 N C -1.330 174.096 175.510 -0.140 0.000 1.047 98 N CA -0.192 52.814 53.050 -0.074 0.000 0.821 98 N CB 2.680 41.108 38.487 -0.098 0.000 1.337 98 N HN 0.647 nan 8.380 nan 0.000 0.482 99 I N 0.880 121.293 120.570 -0.260 0.000 2.436 99 I HA 0.366 4.535 4.170 -0.001 0.000 0.289 99 I C -0.682 175.363 176.117 -0.120 0.000 1.010 99 I CA -0.686 60.538 61.300 -0.127 0.000 1.098 99 I CB 2.077 39.917 38.000 -0.266 0.000 1.266 99 I HN 0.262 nan 8.210 nan 0.000 0.434 100 W N 6.416 127.845 121.300 0.214 0.000 2.318 100 W HA 0.519 5.179 4.660 -0.001 0.000 0.315 100 W C -0.965 175.688 176.519 0.223 0.000 1.033 100 W CA -0.547 56.929 57.345 0.218 0.000 1.275 100 W CB 1.949 31.512 29.460 0.171 0.000 1.250 100 W HN 0.092 nan 8.180 nan 0.000 0.421 101 V N 5.719 125.898 119.914 0.443 0.000 2.513 101 V HA 0.321 4.440 4.120 -0.001 0.000 0.299 101 V C -1.857 174.430 176.094 0.322 0.000 1.035 101 V CA -2.258 60.267 62.300 0.374 0.000 0.889 101 V CB 1.859 33.947 31.823 0.441 0.000 0.988 101 V HN 0.238 nan 8.190 nan 0.000 0.440 102 P HA 0.132 nan 4.420 nan 0.000 0.272 102 P C -0.667 176.755 177.300 0.203 0.000 1.248 102 P CA 0.036 63.263 63.100 0.211 0.000 0.799 102 P CB 0.472 32.259 31.700 0.145 0.000 0.997 103 S N 0.213 116.024 115.700 0.186 0.000 2.677 103 S HA 0.511 4.980 4.470 -0.001 0.000 0.283 103 S C -2.634 172.046 174.600 0.134 0.000 1.159 103 S CA -1.293 57.005 58.200 0.163 0.000 1.001 103 S CB 0.165 63.470 63.200 0.176 0.000 1.032 103 S HN 0.248 nan 8.310 nan 0.000 0.487 104 P HA 0.230 nan 4.420 nan 0.000 0.272 104 P C -0.420 176.947 177.300 0.111 0.000 1.223 104 P CA -0.619 62.542 63.100 0.102 0.000 0.784 104 P CB 0.432 32.178 31.700 0.077 0.000 0.923 105 R N 2.122 122.696 120.500 0.123 0.000 2.537 105 R HA 0.074 4.414 4.340 -0.001 0.000 0.281 105 R C -1.950 174.409 176.300 0.099 0.000 0.988 105 R CA -0.709 55.471 56.100 0.134 0.000 1.077 105 R CB -0.425 29.957 30.300 0.138 0.000 0.932 105 R HN 0.370 nan 8.270 nan 0.000 0.409 106 P HA 0.142 nan 4.420 nan 0.000 0.276 106 P C -0.313 177.017 177.300 0.050 0.000 1.261 106 P CA -0.517 62.622 63.100 0.066 0.000 0.800 106 P CB 0.798 32.538 31.700 0.067 0.000 1.066 107 K N -0.543 119.874 120.400 0.029 0.000 2.141 107 K HA 0.137 4.456 4.320 -0.001 0.000 0.202 107 K C 0.666 177.263 176.600 -0.005 0.000 1.045 107 K CA 1.058 57.352 56.287 0.012 0.000 0.971 107 K CB -0.402 32.102 32.500 0.006 0.000 0.795 107 K HN 0.310 nan 8.250 nan 0.000 0.459 108 S N 1.159 116.856 115.700 -0.004 0.000 2.564 108 S HA 0.135 4.604 4.470 -0.001 0.000 0.141 108 S C -0.738 173.858 174.600 -0.007 0.000 1.474 108 S CA -0.354 57.835 58.200 -0.018 0.000 1.236 108 S CB 0.248 63.428 63.200 -0.034 0.000 1.481 108 S HN 0.189 nan 8.310 nan 0.000 0.397 109 T N 1.630 116.190 114.554 0.010 0.000 2.862 109 T HA 0.505 4.855 4.350 -0.001 0.000 0.276 109 T C 0.373 175.079 174.700 0.011 0.000 0.974 109 T CA 0.070 62.179 62.100 0.014 0.000 0.966 109 T CB 0.873 69.762 68.868 0.034 0.000 1.072 109 T HN 0.418 nan 8.240 nan 0.000 0.538 110 T N 2.176 116.733 114.554 0.006 0.000 2.930 110 T HA 0.393 4.743 4.350 -0.001 0.000 0.306 110 T C -0.345 174.371 174.700 0.028 0.000 1.045 110 T CA -0.368 61.732 62.100 0.001 0.000 1.134 110 T CB 0.492 69.349 68.868 -0.019 0.000 0.961 110 T HN 0.427 nan 8.240 nan 0.000 0.545 111 V N 4.536 124.471 119.914 0.036 0.000 2.581 111 V HA 0.539 4.658 4.120 -0.001 0.000 0.303 111 V C -0.073 176.074 176.094 0.089 0.000 1.041 111 V CA -0.789 61.556 62.300 0.074 0.000 0.907 111 V CB 1.735 33.604 31.823 0.077 0.000 0.994 111 V HN 0.830 nan 8.190 nan 0.000 0.442 112 M N 4.091 123.774 119.600 0.138 0.000 2.204 112 M HA 0.522 5.002 4.480 -0.001 0.000 0.293 112 M C -1.394 175.132 176.300 0.376 0.000 0.994 112 M CA -0.569 54.844 55.300 0.189 0.000 0.925 112 M CB 2.236 34.867 32.600 0.053 0.000 1.577 112 M HN 0.361 nan 8.290 nan 0.000 0.439 113 V N 3.407 123.573 119.914 0.419 0.000 2.347 113 V HA 0.351 4.471 4.120 -0.001 0.000 0.280 113 V C -0.807 175.566 176.094 0.465 0.000 1.021 113 V CA -0.545 61.986 62.300 0.384 0.000 0.847 113 V CB 1.463 33.396 31.823 0.182 0.000 0.990 113 V HN 0.853 nan 8.190 nan 0.000 0.444 114 W N 7.279 128.674 121.300 0.159 0.000 2.390 114 W HA 0.634 5.294 4.660 -0.000 0.000 0.312 114 W C -1.395 175.015 176.519 -0.180 0.000 1.123 114 W CA -0.843 56.342 57.345 -0.267 0.000 1.202 114 W CB 1.283 30.605 29.460 -0.230 0.000 1.251 114 W HN 0.436 nan 8.180 nan 0.000 0.511 115 I N 9.240 129.201 120.570 -1.014 0.000 2.382 115 I HA 0.078 4.248 4.170 -0.001 0.000 0.285 115 I C -0.116 175.191 176.117 -1.350 0.000 1.007 115 I CA -1.126 59.632 61.300 -0.903 0.000 1.142 115 I CB 0.596 38.239 38.000 -0.595 0.000 1.289 115 I HN 0.320 nan 8.210 nan 0.000 0.453 116 Y N 4.718 124.460 120.300 -0.930 0.000 2.459 116 Y HA 0.631 5.181 4.550 -0.000 0.000 0.349 116 Y C 0.725 176.401 175.900 -0.373 0.000 1.266 116 Y CA -0.747 56.906 58.100 -0.745 0.000 1.483 116 Y CB -0.079 38.195 38.460 -0.310 0.000 1.362 116 Y HN 0.516 nan 8.280 nan 0.000 0.628 117 G N -1.256 107.536 108.800 -0.012 0.000 2.753 117 G HA2 0.518 4.478 3.960 -0.001 0.000 0.285 117 G HA3 0.518 4.478 3.960 -0.001 0.000 0.285 117 G C 0.208 175.072 174.900 -0.060 0.000 1.344 117 G CA -0.960 44.078 45.100 -0.102 0.000 1.050 117 G HN 1.624 nan 8.290 nan 0.000 0.532 118 G N -2.953 105.659 108.800 -0.313 0.000 3.216 118 G HA2 0.433 4.392 3.960 -0.001 0.000 0.221 118 G HA3 0.433 4.392 3.960 -0.001 0.000 0.221 118 G C 0.969 175.334 174.900 -0.891 0.000 0.949 118 G CA 0.906 45.697 45.100 -0.515 0.000 0.952 118 G HN 2.323 nan 8.290 nan 0.000 0.657 119 G N -0.378 107.949 108.800 -0.789 0.000 2.148 119 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.254 119 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.254 119 G C 0.837 175.505 174.900 -0.385 0.000 0.981 119 G CA 0.513 45.010 45.100 -1.005 0.000 0.670 119 G HN 1.593 nan 8.290 nan 0.000 0.528 120 F N -2.980 116.845 119.950 -0.209 0.000 2.871 120 F HA -0.295 4.231 4.527 -0.000 0.000 0.326 120 F C 1.377 177.227 175.800 0.083 0.000 0.675 120 F CA 2.249 60.226 58.000 -0.038 0.000 1.188 120 F CB -2.005 36.831 39.000 -0.272 0.000 1.567 120 F HN 1.039 nan 8.300 nan 0.000 0.325 121 Y N -1.308 119.050 120.300 0.097 0.000 2.527 121 Y HA 0.668 5.218 4.550 -0.001 0.000 0.247 121 Y C 0.406 176.403 175.900 0.162 0.000 1.138 121 Y CA 0.112 58.293 58.100 0.135 0.000 1.228 121 Y CB -0.026 38.437 38.460 0.005 0.000 1.252 121 Y HN 0.071 nan 8.280 nan 0.000 0.531 122 S N -0.714 114.812 115.700 -0.291 0.000 2.615 122 S HA 0.891 5.361 4.470 -0.001 0.000 0.269 122 S C -0.307 174.184 174.600 -0.182 0.000 1.161 122 S CA -0.535 57.561 58.200 -0.173 0.000 0.817 122 S CB 1.523 64.561 63.200 -0.270 0.000 1.131 122 S HN 1.287 nan 8.310 nan 0.000 0.467 123 G N -0.066 108.604 108.800 -0.217 0.000 2.326 123 G HA2 0.447 4.407 3.960 -0.001 0.000 0.478 123 G HA3 0.447 4.407 3.960 -0.001 0.000 0.478 123 G C -1.163 173.163 174.900 -0.957 0.000 1.551 123 G CA -0.372 44.414 45.100 -0.524 0.000 0.946 123 G HN 1.243 nan 8.290 nan 0.000 0.671 124 S N -0.766 114.317 115.700 -1.029 0.000 2.556 124 S HA 0.737 5.207 4.470 -0.001 0.000 0.271 124 S C 1.004 175.366 174.600 -0.396 0.000 1.135 124 S CA 0.020 57.824 58.200 -0.660 0.000 0.858 124 S CB 1.859 64.885 63.200 -0.289 0.000 1.114 124 S HN 1.849 nan 8.310 nan 0.000 0.468 125 S N -0.073 115.598 115.700 -0.049 0.000 2.486 125 S HA -0.065 4.404 4.470 -0.001 0.000 0.220 125 S C 1.639 176.312 174.600 0.122 0.000 1.011 125 S CA 0.912 59.279 58.200 0.278 0.000 0.921 125 S CB -0.770 62.660 63.200 0.382 0.000 0.785 125 S HN 0.861 nan 8.310 nan 0.000 0.517 126 T N 0.893 115.307 114.554 -0.232 0.000 3.118 126 T HA 0.283 4.632 4.350 -0.001 0.000 0.260 126 T C 0.695 175.140 174.700 -0.425 0.000 1.139 126 T CA -0.227 61.418 62.100 -0.758 0.000 1.085 126 T CB -0.833 67.520 68.868 -0.858 0.000 0.934 126 T HN 0.349 nan 8.240 nan 0.000 0.518 127 L N 1.937 123.029 121.223 -0.218 0.000 2.499 127 L HA 0.114 4.454 4.340 -0.001 0.000 0.281 127 L C 1.454 178.153 176.870 -0.284 0.000 1.234 127 L CA -0.505 54.151 54.840 -0.307 0.000 0.839 127 L CB 0.307 42.054 42.059 -0.520 0.000 1.104 127 L HN 0.063 nan 8.230 nan 0.000 0.500 128 D N 1.067 121.294 120.400 -0.288 0.000 2.097 128 D HA -0.142 4.498 4.640 -0.001 0.000 0.195 128 D C 2.040 178.163 176.300 -0.295 0.000 0.989 128 D CA 1.453 55.333 54.000 -0.200 0.000 0.827 128 D CB -0.165 40.526 40.800 -0.183 0.000 0.966 128 D HN 0.526 nan 8.370 nan 0.000 0.456 129 V N -0.910 118.682 119.914 -0.536 0.000 2.982 129 V HA -0.203 3.917 4.120 -0.001 0.000 0.265 129 V C 0.964 176.611 176.094 -0.745 0.000 1.122 129 V CA 1.157 63.089 62.300 -0.613 0.000 1.143 129 V CB -1.294 30.044 31.823 -0.810 0.000 0.726 129 V HN 0.086 nan 8.190 nan 0.000 0.507 130 Y N 0.458 120.376 120.300 -0.636 0.000 2.756 130 Y HA 0.464 5.014 4.550 -0.000 0.000 0.300 130 Y C 0.813 176.461 175.900 -0.420 0.000 1.113 130 Y CA -1.881 55.630 58.100 -0.982 0.000 1.291 130 Y CB -0.941 37.260 38.460 -0.432 0.000 1.175 130 Y HN 0.225 nan 8.280 nan 0.000 0.534 131 N N 1.038 119.665 118.700 -0.123 0.000 2.402 131 N HA 0.068 4.808 4.740 -0.001 0.000 0.252 131 N C 1.328 176.610 175.510 -0.380 0.000 1.118 131 N CA 0.312 53.242 53.050 -0.200 0.000 0.945 131 N CB 1.356 39.792 38.487 -0.085 0.000 1.147 131 N HN 0.556 nan 8.380 nan 0.000 0.495 132 G N 3.273 111.327 108.800 -1.243 0.000 2.559 132 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.216 132 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.216 132 G C 1.470 175.864 174.900 -0.844 0.000 1.126 132 G CA 0.651 45.215 45.100 -0.893 0.000 0.778 132 G HN 0.724 nan 8.290 nan 0.000 0.543 133 K N -0.446 119.214 120.400 -1.233 0.000 2.063 133 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 133 K C 1.915 178.327 176.600 -0.313 0.000 1.048 133 K CA 1.356 57.270 56.287 -0.622 0.000 0.928 133 K CB -0.609 31.568 32.500 -0.538 0.000 0.713 133 K HN 0.299 nan 8.250 nan 0.000 0.442 134 Y N 1.133 121.346 120.300 -0.145 0.000 2.181 134 Y HA -0.157 4.393 4.550 -0.001 0.000 0.288 134 Y C 2.367 178.258 175.900 -0.016 0.000 1.146 134 Y CA 0.958 59.030 58.100 -0.046 0.000 1.164 134 Y CB -0.607 37.809 38.460 -0.073 0.000 0.982 134 Y HN 0.064 nan 8.280 nan 0.000 0.515 135 L N -0.031 121.216 121.223 0.039 0.000 2.044 135 L HA -0.023 4.316 4.340 -0.001 0.000 0.205 135 L C 2.381 179.252 176.870 0.002 0.000 1.075 135 L CA 1.826 56.640 54.840 -0.044 0.000 0.747 135 L CB -1.265 40.658 42.059 -0.227 0.000 0.903 135 L HN 0.127 nan 8.230 nan 0.000 0.435 136 A N -1.043 121.792 122.820 0.024 0.000 1.851 136 A HA -0.331 3.989 4.320 -0.001 0.000 0.216 136 A C 2.334 179.983 177.584 0.108 0.000 1.195 136 A CA 2.129 54.225 52.037 0.099 0.000 0.622 136 A CB -1.420 17.696 19.000 0.194 0.000 0.831 136 A HN 0.615 nan 8.150 nan 0.000 0.444 137 Y N 1.070 121.387 120.300 0.027 0.000 2.053 137 Y HA -0.235 4.315 4.550 -0.001 0.000 0.277 137 Y C 2.720 178.640 175.900 0.034 0.000 1.159 137 Y CA 2.606 60.726 58.100 0.034 0.000 1.125 137 Y CB -0.869 37.599 38.460 0.012 0.000 0.969 137 Y HN 0.299 nan 8.280 nan 0.000 0.492 138 T N 0.231 114.780 114.554 -0.009 0.000 2.821 138 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 138 T C 1.408 176.050 174.700 -0.097 0.000 1.046 138 T CA 1.671 63.717 62.100 -0.089 0.000 1.139 138 T CB -0.092 68.812 68.868 0.062 0.000 0.871 138 T HN 0.342 nan 8.240 nan 0.000 0.454 139 E N 0.401 120.573 120.200 -0.046 0.000 2.460 139 E HA 0.101 4.450 4.350 -0.001 0.000 0.200 139 E C 0.108 176.693 176.600 -0.026 0.000 1.011 139 E CA 0.105 56.495 56.400 -0.017 0.000 0.912 139 E CB 0.321 30.018 29.700 -0.004 0.000 0.953 139 E HN 0.593 nan 8.360 nan 0.000 0.494 140 E N -0.013 120.163 120.200 -0.040 0.000 2.298 140 E HA -0.140 4.209 4.350 -0.001 0.000 0.235 140 E C -0.249 176.365 176.600 0.023 0.000 1.167 140 E CA 0.414 56.806 56.400 -0.014 0.000 0.708 140 E CB -2.183 27.502 29.700 -0.026 0.000 1.236 140 E HN 0.127 nan 8.360 nan 0.000 0.386 141 V N -3.777 116.164 119.914 0.046 0.000 3.001 141 V HA 0.702 4.822 4.120 -0.001 0.000 0.314 141 V C 0.335 176.498 176.094 0.116 0.000 1.099 141 V CA -1.121 61.215 62.300 0.061 0.000 0.989 141 V CB 2.327 34.170 31.823 0.033 0.000 1.040 141 V HN -0.014 nan 8.190 nan 0.000 0.434 142 V N 4.243 124.233 119.914 0.127 0.000 2.408 142 V HA 0.287 4.407 4.120 -0.001 0.000 0.267 142 V C 0.027 176.245 176.094 0.206 0.000 1.047 142 V CA -0.281 62.126 62.300 0.177 0.000 0.937 142 V CB 0.999 32.911 31.823 0.148 0.000 0.999 142 V HN 0.741 nan 8.190 nan 0.000 0.472 143 L N 7.641 129.043 121.223 0.298 0.000 2.272 143 L HA 0.561 4.901 4.340 -0.001 0.000 0.289 143 L C -0.387 176.763 176.870 0.468 0.000 1.032 143 L CA 0.167 55.231 54.840 0.373 0.000 0.810 143 L CB 1.648 43.928 42.059 0.369 0.000 1.205 143 L HN 0.384 nan 8.230 nan 0.000 0.422 144 V N 3.987 124.143 119.914 0.404 0.000 2.513 144 V HA 0.575 4.695 4.120 -0.001 0.000 0.299 144 V C 0.021 176.385 176.094 0.450 0.000 1.035 144 V CA -0.574 61.935 62.300 0.349 0.000 0.889 144 V CB 2.059 34.012 31.823 0.216 0.000 0.988 144 V HN 0.900 nan 8.190 nan 0.000 0.440 145 S N 5.047 121.021 115.700 0.456 0.000 2.707 145 S HA 0.766 5.236 4.470 -0.001 0.000 0.303 145 S C -0.875 173.942 174.600 0.361 0.000 1.132 145 S CA -0.776 57.729 58.200 0.508 0.000 1.046 145 S CB 1.291 64.931 63.200 0.733 0.000 1.004 145 S HN 0.664 nan 8.310 nan 0.000 0.483 146 L N 1.288 122.664 121.223 0.255 0.000 2.544 146 L HA 0.999 5.338 4.340 -0.001 0.000 0.256 146 L C 0.196 177.258 176.870 0.320 0.000 1.097 146 L CA -0.647 54.336 54.840 0.237 0.000 0.812 146 L CB 0.197 42.282 42.059 0.043 0.000 1.440 146 L HN 0.845 nan 8.230 nan 0.000 0.496 147 S N -1.493 114.458 115.700 0.419 0.000 2.595 147 S HA 0.883 5.353 4.470 -0.001 0.000 0.281 147 S C -1.215 173.656 174.600 0.451 0.000 1.117 147 S CA -0.559 57.902 58.200 0.434 0.000 0.873 147 S CB 1.539 64.989 63.200 0.416 0.000 1.108 147 S HN 1.072 nan 8.310 nan 0.000 0.477 148 Y N -1.364 119.061 120.300 0.208 0.000 2.609 148 Y HA 0.719 5.268 4.550 -0.000 0.000 0.336 148 Y C -0.660 175.361 175.900 0.203 0.000 1.129 148 Y CA -1.458 56.746 58.100 0.174 0.000 1.040 148 Y CB 0.710 39.221 38.460 0.085 0.000 1.310 148 Y HN 0.759 nan 8.280 nan 0.000 0.460 149 R N 1.615 122.247 120.500 0.220 0.000 2.543 149 R HA 0.573 4.913 4.340 -0.001 0.000 0.277 149 R C -0.317 176.145 176.300 0.271 0.000 1.074 149 R CA -0.431 55.758 56.100 0.148 0.000 1.076 149 R CB 1.142 31.501 30.300 0.099 0.000 0.993 149 R HN 0.708 nan 8.270 nan 0.000 0.459 150 V N -0.444 119.658 119.914 0.313 0.000 3.166 150 V HA 0.900 5.019 4.120 -0.001 0.000 0.317 150 V C 0.655 177.082 176.094 0.556 0.000 1.136 150 V CA -0.112 62.500 62.300 0.521 0.000 1.035 150 V CB 1.202 33.232 31.823 0.346 0.000 1.110 150 V HN 0.976 nan 8.190 nan 0.000 0.450 151 G N 0.437 109.598 108.800 0.602 0.000 2.641 151 G HA2 0.059 4.019 3.960 -0.001 0.000 0.254 151 G HA3 0.059 4.019 3.960 -0.001 0.000 0.254 151 G C 0.996 176.093 174.900 0.329 0.000 1.315 151 G CA 0.861 46.248 45.100 0.479 0.000 0.907 151 G HN 2.261 nan 8.290 nan 0.000 0.572 152 A N -1.353 121.401 122.820 -0.110 0.000 1.958 152 A HA 0.081 4.400 4.320 -0.001 0.000 0.221 152 A C 2.232 179.697 177.584 -0.198 0.000 1.178 152 A CA 2.753 54.383 52.037 -0.679 0.000 0.642 152 A CB -0.567 17.776 19.000 -1.095 0.000 0.816 152 A HN 1.075 nan 8.150 nan 0.000 0.453 153 F N -0.169 119.873 119.950 0.153 0.000 2.250 153 F HA -0.036 4.490 4.527 -0.001 0.000 0.301 153 F C 2.322 178.157 175.800 0.058 0.000 1.077 153 F CA 1.218 59.288 58.000 0.117 0.000 1.348 153 F CB -0.535 38.477 39.000 0.020 0.000 1.040 153 F HN 0.303 nan 8.300 nan 0.000 0.509 154 G N -3.061 105.827 108.800 0.146 0.000 3.228 154 G HA2 0.163 4.122 3.960 -0.001 0.000 0.245 154 G HA3 0.163 4.122 3.960 -0.001 0.000 0.245 154 G C 0.485 174.874 174.900 -0.851 0.000 1.051 154 G CA 0.017 44.955 45.100 -0.271 0.000 0.809 154 G HN 0.296 nan 8.290 nan 0.000 0.531 155 F N -0.390 119.623 119.950 0.106 0.000 2.936 155 F HA 0.423 4.950 4.527 -0.001 0.000 0.334 155 F C 0.257 176.061 175.800 0.008 0.000 1.170 155 F CA -0.933 57.099 58.000 0.054 0.000 1.104 155 F CB 0.484 39.537 39.000 0.089 0.000 1.216 155 F HN -0.072 nan 8.300 nan 0.000 0.518 156 L N 2.128 123.316 121.223 -0.057 0.000 2.490 156 L HA 0.528 4.868 4.340 -0.001 0.000 0.274 156 L C 0.137 176.946 176.870 -0.100 0.000 1.201 156 L CA 0.153 54.839 54.840 -0.256 0.000 0.869 156 L CB 0.495 42.120 42.059 -0.724 0.000 1.123 156 L HN 0.164 nan 8.230 nan 0.000 0.484 157 A N 6.759 129.556 122.820 -0.037 0.000 2.411 157 A HA 0.594 4.914 4.320 -0.001 0.000 0.285 157 A C -1.021 176.568 177.584 0.009 0.000 1.129 157 A CA -0.465 51.577 52.037 0.008 0.000 0.736 157 A CB 0.546 19.585 19.000 0.064 0.000 1.186 157 A HN 0.656 nan 8.150 nan 0.000 0.445 158 L N 3.650 124.873 121.223 0.000 0.000 2.506 158 L HA 0.260 4.600 4.340 -0.001 0.000 0.247 158 L C 0.153 177.058 176.870 0.059 0.000 1.141 158 L CA -0.822 54.026 54.840 0.013 0.000 0.973 158 L CB 0.281 42.322 42.059 -0.030 0.000 1.319 158 L HN 0.887 nan 8.230 nan 0.000 0.455 159 H N 1.755 120.822 119.070 -0.004 0.000 3.092 159 H HA 0.182 4.738 4.556 -0.001 0.000 0.332 159 H C 1.227 176.558 175.328 0.005 0.000 1.029 159 H CA 1.740 57.792 56.048 0.007 0.000 1.376 159 H CB 0.847 30.616 29.762 0.012 0.000 1.329 159 H HN 0.700 nan 8.280 nan 0.000 0.598 160 G N 2.484 111.013 108.800 -0.453 0.000 2.279 160 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.223 160 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.223 160 G C 0.360 175.174 174.900 -0.144 0.000 1.015 160 G CA 0.279 45.207 45.100 -0.286 0.000 0.621 160 G HN 0.900 nan 8.290 nan 0.000 0.506 161 S N 0.295 115.940 115.700 -0.091 0.000 2.489 161 S HA 0.591 5.061 4.470 -0.001 0.000 0.291 161 S C 1.003 175.585 174.600 -0.031 0.000 1.151 161 S CA -0.156 58.019 58.200 -0.043 0.000 1.082 161 S CB 1.426 64.614 63.200 -0.019 0.000 1.019 161 S HN 0.210 nan 8.310 nan 0.000 0.492 162 Q N 2.333 122.123 119.800 -0.015 0.000 2.403 162 Q HA 0.147 4.487 4.340 -0.001 0.000 0.203 162 Q C 0.576 176.589 176.000 0.023 0.000 0.932 162 Q CA 0.269 56.072 55.803 0.000 0.000 0.945 162 Q CB 0.176 28.914 28.738 -0.000 0.000 1.045 162 Q HN 0.668 nan 8.270 nan 0.000 0.511 163 E N 0.259 120.477 120.200 0.030 0.000 2.385 163 E HA 0.129 4.478 4.350 -0.001 0.000 0.194 163 E C 0.123 176.779 176.600 0.093 0.000 1.013 163 E CA 0.265 56.702 56.400 0.061 0.000 0.866 163 E CB 0.697 30.437 29.700 0.067 0.000 0.832 163 E HN 0.170 nan 8.360 nan 0.000 0.500 164 A N 1.291 124.144 122.820 0.055 0.000 3.399 164 A HA 0.256 4.575 4.320 -0.001 0.000 0.262 164 A C -2.070 175.525 177.584 0.019 0.000 1.145 164 A CA -0.736 51.329 52.037 0.046 0.000 0.916 164 A CB 0.526 19.495 19.000 -0.052 0.000 1.360 164 A HN -0.126 nan 8.150 nan 0.000 0.628 165 P HA 0.079 nan 4.420 nan 0.000 0.218 165 P C 0.941 178.284 177.300 0.072 0.000 1.149 165 P CA 2.122 65.250 63.100 0.047 0.000 0.817 165 P CB 0.177 31.904 31.700 0.045 0.000 0.785 166 G N -0.128 108.697 108.800 0.041 0.000 2.570 166 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.686 166 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.686 166 G C -0.267 174.630 174.900 -0.005 0.000 1.257 166 G CA -0.293 44.828 45.100 0.035 0.000 0.846 166 G HN 0.121 nan 8.290 nan 0.000 0.627 167 N N -2.357 116.320 118.700 -0.038 0.000 2.753 167 N HA -0.271 4.469 4.740 -0.001 0.000 0.251 167 N C 1.867 177.245 175.510 -0.220 0.000 1.097 167 N CA 2.415 55.368 53.050 -0.162 0.000 0.786 167 N CB -1.655 36.679 38.487 -0.255 0.000 1.137 167 N HN 1.944 nan 8.380 nan 0.000 0.566 168 V N -2.840 116.954 119.914 -0.201 0.000 2.913 168 V HA 0.062 4.181 4.120 -0.001 0.000 0.260 168 V C 2.149 178.130 176.094 -0.187 0.000 1.098 168 V CA 2.150 64.375 62.300 -0.126 0.000 1.121 168 V CB -0.630 31.158 31.823 -0.059 0.000 0.714 168 V HN 0.290 nan 8.190 nan 0.000 0.487 169 G N 0.174 108.683 108.800 -0.486 0.000 2.430 169 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.216 169 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.216 169 G C 1.480 176.333 174.900 -0.077 0.000 1.146 169 G CA 0.818 45.690 45.100 -0.380 0.000 0.793 169 G HN 0.526 nan 8.290 nan 0.000 0.537 170 L N -0.042 121.094 121.223 -0.146 0.000 2.179 170 L HA 0.155 4.494 4.340 -0.001 0.000 0.208 170 L C 2.750 179.714 176.870 0.157 0.000 1.096 170 L CA 0.209 54.980 54.840 -0.113 0.000 0.779 170 L CB -0.210 41.422 42.059 -0.711 0.000 0.922 170 L HN 0.176 nan 8.230 nan 0.000 0.443 171 L N -0.627 120.682 121.223 0.143 0.000 2.056 171 L HA -0.208 4.132 4.340 -0.001 0.000 0.207 171 L C 2.208 179.166 176.870 0.147 0.000 1.078 171 L CA 0.980 55.947 54.840 0.212 0.000 0.749 171 L CB -0.666 41.482 42.059 0.149 0.000 0.901 171 L HN 0.268 nan 8.230 nan 0.000 0.433 172 D N 0.161 120.641 120.400 0.134 0.000 2.116 172 D HA -0.239 4.401 4.640 -0.001 0.000 0.193 172 D C 2.275 178.629 176.300 0.090 0.000 0.998 172 D CA 1.391 55.517 54.000 0.210 0.000 0.836 172 D CB -0.193 40.775 40.800 0.280 0.000 0.951 172 D HN 0.398 nan 8.370 nan 0.000 0.449 173 Q N -0.069 119.765 119.800 0.057 0.000 2.084 173 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 173 Q C 2.288 178.204 176.000 -0.140 0.000 0.978 173 Q CA 1.003 56.764 55.803 -0.070 0.000 0.844 173 Q CB -0.047 28.678 28.738 -0.022 0.000 0.898 173 Q HN 0.190 nan 8.270 nan 0.000 0.426 174 R N 0.286 120.790 120.500 0.006 0.000 2.120 174 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 174 R C 2.162 178.417 176.300 -0.075 0.000 1.123 174 R CA 1.322 57.402 56.100 -0.034 0.000 0.975 174 R CB -0.078 30.285 30.300 0.106 0.000 0.866 174 R HN 0.239 nan 8.270 nan 0.000 0.446 175 M N 0.214 119.773 119.600 -0.068 0.000 2.067 175 M HA -0.086 4.394 4.480 -0.001 0.000 0.260 175 M C 2.132 178.279 176.300 -0.254 0.000 1.069 175 M CA 2.126 57.389 55.300 -0.062 0.000 1.117 175 M CB -0.164 32.481 32.600 0.076 0.000 1.334 175 M HN 0.217 nan 8.290 nan 0.000 0.407 176 A N 0.129 122.515 122.820 -0.723 0.000 1.908 176 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 176 A C 2.134 179.559 177.584 -0.264 0.000 1.181 176 A CA 1.904 53.387 52.037 -0.922 0.000 0.627 176 A CB -1.249 17.077 19.000 -1.122 0.000 0.818 176 A HN 0.601 nan 8.150 nan 0.000 0.445 177 L N -1.249 119.859 121.223 -0.193 0.000 2.093 177 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 177 L C 2.827 179.725 176.870 0.046 0.000 1.085 177 L CA 1.574 56.380 54.840 -0.058 0.000 0.755 177 L CB -0.388 41.603 42.059 -0.113 0.000 0.904 177 L HN 0.481 nan 8.230 nan 0.000 0.435 178 Q N -0.527 119.291 119.800 0.030 0.000 2.124 178 Q HA -0.257 4.083 4.340 -0.001 0.000 0.202 178 Q C 1.957 178.068 176.000 0.186 0.000 0.977 178 Q CA 1.901 57.751 55.803 0.079 0.000 0.850 178 Q CB -0.389 28.383 28.738 0.057 0.000 0.901 178 Q HN 0.483 nan 8.270 nan 0.000 0.429 179 W N -0.898 120.407 121.300 0.008 0.000 2.379 179 W HA -0.103 4.557 4.660 -0.001 0.000 0.307 179 W C 1.871 178.431 176.519 0.068 0.000 1.200 179 W CA 1.471 58.850 57.345 0.056 0.000 1.297 179 W CB -0.137 29.355 29.460 0.053 0.000 1.140 179 W HN -0.030 nan 8.180 nan 0.000 0.507 180 V N 0.012 120.133 119.914 0.344 0.000 2.469 180 V HA -0.355 3.764 4.120 -0.001 0.000 0.251 180 V C 2.398 178.546 176.094 0.090 0.000 1.064 180 V CA 2.275 64.703 62.300 0.213 0.000 1.066 180 V CB -1.177 30.747 31.823 0.169 0.000 0.667 180 V HN 0.356 nan 8.190 nan 0.000 0.461 181 H N 0.018 119.095 119.070 0.012 0.000 2.436 181 H HA -0.073 4.483 4.556 -0.001 0.000 0.294 181 H C 1.583 176.858 175.328 -0.088 0.000 1.048 181 H CA 1.485 57.516 56.048 -0.030 0.000 1.353 181 H CB 0.287 30.042 29.762 -0.010 0.000 1.414 181 H HN 0.428 nan 8.280 nan 0.000 0.536 182 D N -0.358 120.025 120.400 -0.028 0.000 2.354 182 D HA 0.001 4.641 4.640 -0.001 0.000 0.209 182 D C 0.866 177.022 176.300 -0.240 0.000 1.015 182 D CA 0.250 54.178 54.000 -0.120 0.000 0.867 182 D CB 0.319 41.076 40.800 -0.072 0.000 0.933 182 D HN 0.433 nan 8.370 nan 0.000 0.520 183 N N -0.142 118.356 118.700 -0.337 0.000 2.104 183 N HA 0.014 4.753 4.740 -0.001 0.000 0.227 183 N C 1.430 176.877 175.510 -0.105 0.000 1.321 183 N CA -0.179 52.694 53.050 -0.295 0.000 0.877 183 N CB 0.981 38.981 38.487 -0.811 0.000 1.117 183 N HN -0.025 nan 8.380 nan 0.000 0.486 184 I N 3.229 123.753 120.570 -0.078 0.000 2.657 184 I HA -0.246 3.923 4.170 -0.001 0.000 0.261 184 I C 2.509 178.631 176.117 0.009 0.000 1.212 184 I CA 1.381 62.729 61.300 0.080 0.000 1.453 184 I CB -0.180 37.834 38.000 0.024 0.000 1.092 184 I HN 0.218 nan 8.210 nan 0.000 0.452 185 Q N -0.881 118.742 119.800 -0.295 0.000 2.224 185 Q HA -0.196 4.144 4.340 -0.001 0.000 0.203 185 Q C 1.570 177.308 176.000 -0.436 0.000 0.970 185 Q CA 1.473 57.023 55.803 -0.422 0.000 0.865 185 Q CB -0.681 27.668 28.738 -0.650 0.000 0.922 185 Q HN 0.432 nan 8.270 nan 0.000 0.445 186 F N -0.546 119.344 119.950 -0.101 0.000 2.811 186 F HA 0.192 4.718 4.527 -0.001 0.000 0.301 186 F C 0.577 176.126 175.800 -0.419 0.000 1.151 186 F CA 0.091 57.930 58.000 -0.268 0.000 1.412 186 F CB 0.087 38.852 39.000 -0.391 0.000 1.113 186 F HN 0.001 nan 8.300 nan 0.000 0.579 187 F N -0.819 119.121 119.950 -0.017 0.000 2.682 187 F HA 0.436 4.962 4.527 -0.001 0.000 0.308 187 F C 1.742 177.545 175.800 0.006 0.000 1.093 187 F CA 0.264 58.241 58.000 -0.039 0.000 1.244 187 F CB 0.392 39.337 39.000 -0.091 0.000 1.052 187 F HN 0.020 nan 8.300 nan 0.000 0.573 188 G N 0.132 108.999 108.800 0.111 0.000 2.194 188 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.236 188 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.236 188 G C 0.652 175.586 174.900 0.055 0.000 0.987 188 G CA -0.317 44.829 45.100 0.076 0.000 0.635 188 G HN 0.690 nan 8.290 nan 0.000 0.520 189 G N -0.233 108.606 108.800 0.064 0.000 2.448 189 G HA2 0.493 4.453 3.960 -0.001 0.000 0.285 189 G HA3 0.493 4.453 3.960 -0.001 0.000 0.285 189 G C -0.777 174.102 174.900 -0.035 0.000 1.176 189 G CA 0.417 45.536 45.100 0.032 0.000 0.852 189 G HN 0.320 nan 8.290 nan 0.000 0.530 190 D N 1.273 121.652 120.400 -0.034 0.000 2.373 190 D HA 0.309 4.948 4.640 -0.001 0.000 0.227 190 D C -0.909 175.349 176.300 -0.071 0.000 1.091 190 D CA -2.309 51.652 54.000 -0.066 0.000 0.840 190 D CB 1.977 42.748 40.800 -0.048 0.000 1.060 190 D HN 0.075 nan 8.370 nan 0.000 0.502 191 P HA -0.155 nan 4.420 nan 0.000 0.220 191 P C 0.534 177.784 177.300 -0.083 0.000 1.148 191 P CA 0.906 63.914 63.100 -0.152 0.000 0.803 191 P CB 0.008 31.496 31.700 -0.354 0.000 0.782 192 K N -0.691 119.663 120.400 -0.077 0.000 2.522 192 K HA 0.149 4.468 4.320 -0.001 0.000 0.194 192 K C -0.153 176.437 176.600 -0.016 0.000 1.026 192 K CA 0.261 56.529 56.287 -0.031 0.000 1.119 192 K CB -0.412 32.062 32.500 -0.044 0.000 0.856 192 K HN -0.174 nan 8.250 nan 0.000 0.513 193 T N 1.117 115.666 114.554 -0.009 0.000 3.816 193 T HA 0.119 4.468 4.350 -0.001 0.000 0.232 193 T C -1.532 173.179 174.700 0.018 0.000 1.125 193 T CA -0.616 61.479 62.100 -0.009 0.000 1.609 193 T CB 1.016 69.864 68.868 -0.032 0.000 0.805 193 T HN 0.158 nan 8.240 nan 0.000 0.647 194 V N 1.874 121.827 119.914 0.066 0.000 2.459 194 V HA 0.749 4.869 4.120 -0.001 0.000 0.295 194 V C -0.520 175.662 176.094 0.148 0.000 1.029 194 V CA -0.015 62.349 62.300 0.106 0.000 0.874 194 V CB 1.714 33.620 31.823 0.138 0.000 0.985 194 V HN 0.533 nan 8.190 nan 0.000 0.438 195 T N 8.635 123.261 114.554 0.120 0.000 2.758 195 T HA 0.538 4.888 4.350 -0.001 0.000 0.285 195 T C -0.099 174.711 174.700 0.182 0.000 0.981 195 T CA -0.135 62.046 62.100 0.134 0.000 0.965 195 T CB 0.800 69.700 68.868 0.052 0.000 0.927 195 T HN 0.818 nan 8.240 nan 0.000 0.448 196 I N 1.471 122.116 120.570 0.124 0.000 2.437 196 I HA 0.880 5.050 4.170 -0.001 0.000 0.298 196 I C -1.000 175.285 176.117 0.280 0.000 0.984 196 I CA -1.079 60.294 61.300 0.123 0.000 1.214 196 I CB 1.148 39.014 38.000 -0.223 0.000 1.365 196 I HN 0.509 nan 8.210 nan 0.000 0.469 197 F N 3.157 123.144 119.950 0.061 0.000 2.591 197 F HA 0.987 5.514 4.527 -0.001 0.000 0.309 197 F C -0.404 175.421 175.800 0.042 0.000 1.098 197 F CA -1.144 56.932 58.000 0.128 0.000 0.937 197 F CB 1.187 40.366 39.000 0.298 0.000 1.250 197 F HN 0.790 nan 8.300 nan 0.000 0.447 198 G N 0.871 109.620 108.800 -0.085 0.000 2.727 198 G HA2 0.581 4.540 3.960 -0.001 0.000 0.289 198 G HA3 0.581 4.540 3.960 -0.001 0.000 0.289 198 G C -2.279 172.512 174.900 -0.183 0.000 1.418 198 G CA -0.807 43.974 45.100 -0.532 0.000 0.818 198 G HN 0.857 nan 8.290 nan 0.000 0.486 199 E N -0.223 119.805 120.200 -0.286 0.000 2.308 199 E HA 0.535 4.885 4.350 -0.001 0.000 0.275 199 E C 0.303 176.859 176.600 -0.073 0.000 0.890 199 E CA 0.203 56.602 56.400 -0.001 0.000 0.754 199 E CB 2.196 32.035 29.700 0.231 0.000 1.207 199 E HN 0.891 nan 8.360 nan 0.000 0.426 200 S N 3.004 118.725 115.700 0.036 0.000 4.116 200 S HA -0.388 4.082 4.470 -0.001 0.000 0.623 200 S C 1.452 176.106 174.600 0.090 0.000 1.933 200 S CA 2.214 60.484 58.200 0.116 0.000 4.224 200 S CB -1.642 61.562 63.200 0.006 0.000 0.208 200 S HN 1.077 nan 8.310 nan 0.000 0.527 201 A N 1.109 123.848 122.820 -0.136 0.000 2.070 201 A HA 0.210 4.530 4.320 -0.001 0.000 0.220 201 A C 2.430 179.736 177.584 -0.464 0.000 1.159 201 A CA 2.294 54.066 52.037 -0.440 0.000 0.656 201 A CB -1.482 16.879 19.000 -1.065 0.000 0.800 201 A HN 1.604 nan 8.150 nan 0.000 0.453 202 G N -0.689 107.900 108.800 -0.351 0.000 2.421 202 G HA2 0.115 4.075 3.960 -0.001 0.000 0.217 202 G HA3 0.115 4.075 3.960 -0.001 0.000 0.217 202 G C 1.430 176.157 174.900 -0.289 0.000 1.143 202 G CA 1.035 45.889 45.100 -0.411 0.000 0.784 202 G HN 0.639 nan 8.290 nan 0.000 0.541 203 G N 0.822 109.521 108.800 -0.169 0.000 2.448 203 G HA2 0.147 4.107 3.960 -0.001 0.000 0.218 203 G HA3 0.147 4.107 3.960 -0.001 0.000 0.218 203 G C 1.880 176.704 174.900 -0.127 0.000 1.135 203 G CA 1.303 46.347 45.100 -0.094 0.000 0.784 203 G HN 0.573 nan 8.290 nan 0.000 0.543 204 A N 0.558 123.314 122.820 -0.106 0.000 1.970 204 A HA 0.189 4.509 4.320 -0.001 0.000 0.216 204 A C 2.622 180.149 177.584 -0.095 0.000 1.170 204 A CA 1.827 53.781 52.037 -0.139 0.000 0.645 204 A CB -0.261 18.682 19.000 -0.094 0.000 0.816 204 A HN 0.262 nan 8.150 nan 0.000 0.447 205 S N -0.339 115.308 115.700 -0.088 0.000 2.371 205 S HA -0.098 4.371 4.470 -0.001 0.000 0.224 205 S C 1.901 176.443 174.600 -0.097 0.000 1.029 205 S CA 1.258 59.402 58.200 -0.092 0.000 0.978 205 S CB -0.375 62.721 63.200 -0.173 0.000 0.833 205 S HN 0.324 nan 8.310 nan 0.000 0.466 206 V N 1.892 121.751 119.914 -0.093 0.000 2.233 206 V HA -0.189 3.930 4.120 -0.001 0.000 0.247 206 V C 2.672 178.737 176.094 -0.049 0.000 1.050 206 V CA 2.114 64.373 62.300 -0.069 0.000 1.010 206 V CB -1.505 30.254 31.823 -0.108 0.000 0.637 206 V HN 0.591 nan 8.190 nan 0.000 0.444 207 G N -1.286 107.432 108.800 -0.136 0.000 2.485 207 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.221 207 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.221 207 G C 1.597 176.465 174.900 -0.053 0.000 1.115 207 G CA 1.142 46.119 45.100 -0.204 0.000 0.751 207 G HN 0.460 nan 8.290 nan 0.000 0.567 208 M N -0.535 119.050 119.600 -0.025 0.000 2.349 208 M HA 0.086 4.565 4.480 -0.001 0.000 0.266 208 M C 2.099 178.507 176.300 0.181 0.000 1.076 208 M CA 0.681 56.069 55.300 0.146 0.000 1.126 208 M CB 0.030 32.710 32.600 0.133 0.000 1.392 208 M HN 0.195 nan 8.290 nan 0.000 0.440 209 H N -0.673 118.534 119.070 0.229 0.000 2.512 209 H HA 0.110 4.666 4.556 -0.001 0.000 0.279 209 H C 1.997 177.554 175.328 0.382 0.000 0.999 209 H CA 1.089 57.287 56.048 0.251 0.000 1.283 209 H CB 0.076 29.903 29.762 0.108 0.000 1.421 209 H HN 0.392 nan 8.280 nan 0.000 0.554 210 I N 0.471 121.329 120.570 0.480 0.000 2.439 210 I HA -0.208 3.962 4.170 -0.001 0.000 0.251 210 I C 2.027 178.391 176.117 0.411 0.000 1.139 210 I CA 0.790 62.403 61.300 0.522 0.000 1.438 210 I CB 0.047 38.315 38.000 0.447 0.000 1.085 210 I HN 0.118 nan 8.210 nan 0.000 0.427 211 L N -0.635 120.796 121.223 0.348 0.000 2.102 211 L HA -0.000 4.339 4.340 -0.001 0.000 0.202 211 L C 1.557 178.584 176.870 0.262 0.000 1.076 211 L CA 0.202 55.245 54.840 0.339 0.000 0.761 211 L CB -0.375 41.889 42.059 0.342 0.000 0.921 211 L HN 0.084 nan 8.230 nan 0.000 0.444 212 S N 0.646 116.462 115.700 0.194 0.000 2.515 212 S HA 0.070 4.539 4.470 -0.001 0.000 0.285 212 S C -1.525 173.019 174.600 -0.093 0.000 1.265 212 S CA -1.218 56.937 58.200 -0.076 0.000 1.079 212 S CB 0.839 63.711 63.200 -0.546 0.000 0.877 212 S HN -0.080 nan 8.310 nan 0.000 0.493 213 P HA -0.050 nan 4.420 nan 0.000 0.216 213 P C 1.527 178.752 177.300 -0.125 0.000 1.153 213 P CA 1.378 64.430 63.100 -0.081 0.000 0.858 213 P CB -0.205 31.451 31.700 -0.073 0.000 0.789 214 G N -1.443 107.229 108.800 -0.214 0.000 2.535 214 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.218 214 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.218 214 G C 1.320 176.126 174.900 -0.157 0.000 1.122 214 G CA 0.818 45.792 45.100 -0.209 0.000 0.769 214 G HN 0.255 nan 8.290 nan 0.000 0.549 215 S N -0.520 115.120 115.700 -0.100 0.000 2.539 215 S HA 0.110 4.580 4.470 -0.001 0.000 0.226 215 S C 2.205 176.859 174.600 0.091 0.000 1.054 215 S CA -0.462 57.769 58.200 0.052 0.000 0.910 215 S CB 0.183 63.556 63.200 0.288 0.000 0.818 215 S HN 0.332 nan 8.310 nan 0.000 0.490 216 R N 2.294 122.812 120.500 0.030 0.000 2.165 216 R HA -0.181 4.159 4.340 -0.001 0.000 0.254 216 R C 0.606 176.706 176.300 -0.334 0.000 1.153 216 R CA 1.795 57.818 56.100 -0.129 0.000 0.971 216 R CB -0.993 29.265 30.300 -0.070 0.000 0.878 216 R HN 0.381 nan 8.270 nan 0.000 0.449 217 D N 0.593 120.868 120.400 -0.208 0.000 2.378 217 D HA -0.007 4.633 4.640 -0.001 0.000 0.227 217 D C 1.473 177.640 176.300 -0.221 0.000 1.012 217 D CA 0.609 54.479 54.000 -0.216 0.000 0.905 217 D CB -0.003 40.698 40.800 -0.166 0.000 0.895 217 D HN 0.270 nan 8.370 nan 0.000 0.532 218 L N -0.124 121.001 121.223 -0.164 0.000 2.653 218 L HA 0.198 4.538 4.340 -0.001 0.000 0.231 218 L C -0.196 176.795 176.870 0.201 0.000 1.153 218 L CA -0.173 54.649 54.840 -0.030 0.000 0.933 218 L CB -0.270 41.791 42.059 0.003 0.000 1.175 218 L HN -0.073 nan 8.230 nan 0.000 0.473 219 F N -4.265 115.694 119.950 0.016 0.000 2.741 219 F HA 0.562 5.089 4.527 -0.000 0.000 0.313 219 F C 0.295 176.120 175.800 0.042 0.000 1.153 219 F CA -1.268 56.756 58.000 0.039 0.000 0.931 219 F CB 1.136 40.157 39.000 0.034 0.000 1.335 219 F HN -0.382 nan 8.300 nan 0.000 0.460 220 R N 0.616 121.225 120.500 0.182 0.000 2.102 220 R HA 0.501 4.840 4.340 -0.001 0.000 0.208 220 R C -0.102 176.280 176.300 0.137 0.000 1.131 220 R CA 0.828 56.963 56.100 0.058 0.000 1.054 220 R CB 0.303 30.620 30.300 0.029 0.000 0.954 220 R HN 0.789 nan 8.270 nan 0.000 0.465 221 R N -1.065 119.570 120.500 0.224 0.000 2.930 221 R HA 0.787 5.126 4.340 -0.001 0.000 0.257 221 R C -1.398 175.110 176.300 0.348 0.000 1.107 221 R CA -0.709 55.518 56.100 0.212 0.000 0.999 221 R CB 2.156 32.400 30.300 -0.095 0.000 1.209 221 R HN 0.223 nan 8.270 nan 0.000 0.486 222 A N 1.237 124.265 122.820 0.347 0.000 2.486 222 A HA 0.668 4.988 4.320 -0.001 0.000 0.300 222 A C -1.146 176.554 177.584 0.193 0.000 1.048 222 A CA -0.644 51.532 52.037 0.231 0.000 0.696 222 A CB 1.197 20.302 19.000 0.174 0.000 1.278 222 A HN 0.581 nan 8.150 nan 0.000 0.405 223 I N 2.174 122.824 120.570 0.132 0.000 2.447 223 I HA 0.377 4.547 4.170 -0.001 0.000 0.287 223 I C -1.445 174.740 176.117 0.114 0.000 1.023 223 I CA -0.583 60.732 61.300 0.025 0.000 1.083 223 I CB 1.748 39.720 38.000 -0.046 0.000 1.245 223 I HN 0.418 nan 8.210 nan 0.000 0.434 224 L N 6.755 128.015 121.223 0.061 0.000 2.333 224 L HA 0.468 4.808 4.340 -0.001 0.000 0.280 224 L C -0.426 176.539 176.870 0.158 0.000 1.004 224 L CA -0.283 54.600 54.840 0.073 0.000 0.820 224 L CB 1.601 43.648 42.059 -0.021 0.000 1.247 224 L HN 0.498 nan 8.230 nan 0.000 0.416 225 Q N 1.704 121.639 119.800 0.225 0.000 2.333 225 Q HA 0.482 4.821 4.340 -0.001 0.000 0.268 225 Q C -0.040 176.090 176.000 0.215 0.000 1.007 225 Q CA -0.699 55.296 55.803 0.320 0.000 0.810 225 Q CB 1.692 30.724 28.738 0.489 0.000 1.264 225 Q HN 0.624 nan 8.270 nan 0.000 0.452 226 S N 0.949 116.767 115.700 0.196 0.000 3.549 226 S HA -0.169 4.300 4.470 -0.001 0.000 0.366 226 S C 0.028 174.779 174.600 0.251 0.000 1.012 226 S CA 0.677 59.012 58.200 0.225 0.000 1.141 226 S CB -1.128 62.238 63.200 0.276 0.000 0.910 226 S HN 0.978 nan 8.310 nan 0.000 0.471 227 G N -0.177 108.713 108.800 0.151 0.000 2.657 227 G HA2 0.547 4.507 3.960 -0.001 0.000 0.303 227 G HA3 0.547 4.507 3.960 -0.001 0.000 0.303 227 G C -0.934 173.930 174.900 -0.060 0.000 1.457 227 G CA 0.088 45.276 45.100 0.146 0.000 0.982 227 G HN 1.016 nan 8.290 nan 0.000 0.583 228 S N 2.134 117.721 115.700 -0.188 0.000 2.569 228 S HA 0.811 5.281 4.470 -0.001 0.000 0.280 228 S C -1.763 172.543 174.600 -0.490 0.000 1.111 228 S CA -1.226 56.718 58.200 -0.427 0.000 0.887 228 S CB 3.238 66.183 63.200 -0.425 0.000 1.095 228 S HN 0.394 nan 8.310 nan 0.000 0.476 229 P HA -0.161 nan 4.420 nan 0.000 0.217 229 P C 0.517 177.544 177.300 -0.455 0.000 1.148 229 P CA 1.384 64.213 63.100 -0.452 0.000 0.828 229 P CB -0.340 31.118 31.700 -0.404 0.000 0.783 230 N N -0.627 117.832 118.700 -0.402 0.000 2.375 230 N HA 0.002 4.742 4.740 -0.001 0.000 0.220 230 N C -0.226 175.046 175.510 -0.397 0.000 1.170 230 N CA -0.245 52.614 53.050 -0.317 0.000 0.833 230 N CB -1.310 37.105 38.487 -0.121 0.000 1.069 230 N HN 0.051 nan 8.380 nan 0.000 0.479 231 C N 2.321 121.256 119.300 -0.609 0.000 2.601 231 C HA 0.212 4.671 4.460 -0.001 0.000 0.409 231 C C -0.263 174.240 174.990 -0.811 0.000 1.293 231 C CA -1.054 57.475 59.018 -0.814 0.000 2.101 231 C CB 1.460 28.378 27.740 -1.370 0.000 2.639 231 C HN 0.351 nan 8.230 nan 0.000 0.592 232 P HA -0.115 nan 4.420 nan 0.000 0.226 232 P C 1.003 178.108 177.300 -0.325 0.000 1.146 232 P CA 1.749 64.581 63.100 -0.446 0.000 0.773 232 P CB -0.026 31.422 31.700 -0.419 0.000 0.772 233 W N -1.851 119.305 121.300 -0.240 0.000 2.993 233 W HA 0.550 5.210 4.660 -0.000 0.000 0.290 233 W C 1.296 177.823 176.519 0.013 0.000 1.203 233 W CA 0.363 57.630 57.345 -0.130 0.000 1.582 233 W CB -0.967 28.432 29.460 -0.102 0.000 1.033 233 W HN -0.139 nan 8.180 nan 0.000 0.594 234 A N 1.652 124.126 122.820 -0.577 0.000 2.168 234 A HA 0.132 4.452 4.320 -0.001 0.000 0.215 234 A C 1.027 178.434 177.584 -0.295 0.000 1.152 234 A CA 1.387 53.204 52.037 -0.368 0.000 0.716 234 A CB -0.624 17.929 19.000 -0.744 0.000 0.794 234 A HN 0.264 nan 8.150 nan 0.000 0.465 235 S N -2.155 113.369 115.700 -0.292 0.000 2.587 235 S HA 0.613 5.083 4.470 -0.001 0.000 0.269 235 S C -0.787 173.686 174.600 -0.211 0.000 1.154 235 S CA -0.120 57.913 58.200 -0.279 0.000 0.824 235 S CB 1.237 64.221 63.200 -0.360 0.000 1.118 235 S HN 1.374 nan 8.310 nan 0.000 0.462 236 V N -1.090 118.721 119.914 -0.172 0.000 3.160 236 V HA 0.966 5.086 4.120 -0.001 0.000 0.310 236 V C 0.023 176.049 176.094 -0.114 0.000 1.181 236 V CA -0.454 61.766 62.300 -0.132 0.000 1.047 236 V CB 1.207 32.968 31.823 -0.105 0.000 1.068 236 V HN 1.540 nan 8.190 nan 0.000 0.441 237 S N 0.410 116.051 115.700 -0.099 0.000 2.632 237 S HA 0.446 4.916 4.470 -0.001 0.000 0.271 237 S C 1.251 175.804 174.600 -0.079 0.000 1.260 237 S CA -0.030 58.116 58.200 -0.091 0.000 1.010 237 S CB 1.295 64.447 63.200 -0.080 0.000 0.965 237 S HN 2.122 nan 8.310 nan 0.000 0.534 238 V N -0.609 119.246 119.914 -0.100 0.000 2.392 238 V HA -0.065 4.054 4.120 -0.001 0.000 0.249 238 V C 2.559 178.628 176.094 -0.042 0.000 1.059 238 V CA 1.842 64.089 62.300 -0.089 0.000 1.051 238 V CB -2.040 29.666 31.823 -0.196 0.000 0.658 238 V HN 1.017 nan 8.190 nan 0.000 0.455 239 A N 0.742 123.534 122.820 -0.047 0.000 1.883 239 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 239 A C 2.234 179.796 177.584 -0.038 0.000 1.186 239 A CA 2.289 54.307 52.037 -0.032 0.000 0.624 239 A CB -0.729 18.251 19.000 -0.033 0.000 0.822 239 A HN 0.680 nan 8.150 nan 0.000 0.444 240 E N -0.063 120.106 120.200 -0.052 0.000 2.152 240 E HA 0.005 4.355 4.350 -0.001 0.000 0.192 240 E C 1.934 178.501 176.600 -0.056 0.000 0.983 240 E CA 1.426 57.786 56.400 -0.066 0.000 0.818 240 E CB -0.764 28.887 29.700 -0.083 0.000 0.758 240 E HN 0.391 nan 8.360 nan 0.000 0.467 241 G N 0.574 109.354 108.800 -0.035 0.000 2.418 241 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.217 241 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.217 241 G C 1.770 176.679 174.900 0.016 0.000 1.158 241 G CA 0.766 45.867 45.100 0.002 0.000 0.771 241 G HN 0.292 nan 8.290 nan 0.000 0.545 242 R N 0.150 120.653 120.500 0.004 0.000 2.075 242 R HA 0.032 4.372 4.340 -0.001 0.000 0.232 242 R C 2.580 178.876 176.300 -0.007 0.000 1.126 242 R CA 1.122 57.225 56.100 0.005 0.000 0.963 242 R CB -0.310 29.996 30.300 0.010 0.000 0.858 242 R HN 0.262 nan 8.270 nan 0.000 0.435 243 R N 0.553 121.039 120.500 -0.023 0.000 2.083 243 R HA -0.141 4.199 4.340 -0.001 0.000 0.237 243 R C 2.094 178.373 176.300 -0.035 0.000 1.137 243 R CA 1.865 57.942 56.100 -0.037 0.000 0.951 243 R CB -0.083 30.180 30.300 -0.062 0.000 0.851 243 R HN 0.271 nan 8.270 nan 0.000 0.434 244 R N -0.450 120.028 120.500 -0.036 0.000 2.148 244 R HA 0.009 4.348 4.340 -0.001 0.000 0.223 244 R C 2.258 178.624 176.300 0.110 0.000 1.088 244 R CA 0.906 56.991 56.100 -0.025 0.000 0.985 244 R CB -0.161 30.057 30.300 -0.137 0.000 0.880 244 R HN 0.225 nan 8.270 nan 0.000 0.451 245 A N 0.866 123.744 122.820 0.097 0.000 1.873 245 A HA -0.101 4.219 4.320 -0.001 0.000 0.215 245 A C 2.323 179.905 177.584 -0.003 0.000 1.186 245 A CA 1.259 53.322 52.037 0.043 0.000 0.616 245 A CB -0.477 18.503 19.000 -0.032 0.000 0.823 245 A HN 0.087 nan 8.150 nan 0.000 0.442 246 V N -0.091 119.820 119.914 -0.004 0.000 2.270 246 V HA -0.222 3.898 4.120 -0.001 0.000 0.245 246 V C 2.604 178.698 176.094 0.000 0.000 1.043 246 V CA 2.376 64.670 62.300 -0.010 0.000 1.014 246 V CB -0.744 31.072 31.823 -0.011 0.000 0.645 246 V HN 0.654 nan 8.190 nan 0.000 0.447 247 E N 0.239 120.441 120.200 0.002 0.000 2.118 247 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 247 E C 1.917 178.532 176.600 0.025 0.000 0.992 247 E CA 1.384 57.786 56.400 0.002 0.000 0.804 247 E CB -0.500 29.189 29.700 -0.019 0.000 0.741 247 E HN 0.452 nan 8.360 nan 0.000 0.458 248 L N -0.321 120.936 121.223 0.057 0.000 2.017 248 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 248 L C 2.186 179.073 176.870 0.028 0.000 1.073 248 L CA 2.478 57.365 54.840 0.079 0.000 0.745 248 L CB -1.054 41.081 42.059 0.127 0.000 0.894 248 L HN 0.212 nan 8.230 nan 0.000 0.432 249 G N -0.978 107.825 108.800 0.004 0.000 2.432 249 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.219 249 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.219 249 G C 1.821 176.730 174.900 0.015 0.000 1.135 249 G CA 0.709 45.810 45.100 0.001 0.000 0.767 249 G HN 0.426 nan 8.290 nan 0.000 0.550 250 R N 0.401 120.910 120.500 0.014 0.000 2.148 250 R HA 0.034 4.374 4.340 -0.001 0.000 0.227 250 R C 2.084 178.398 176.300 0.023 0.000 1.103 250 R CA 0.998 57.107 56.100 0.016 0.000 0.983 250 R CB -0.283 30.023 30.300 0.010 0.000 0.874 250 R HN 0.368 nan 8.270 nan 0.000 0.451 251 N N 0.099 118.816 118.700 0.029 0.000 2.409 251 N HA -0.065 4.675 4.740 -0.001 0.000 0.179 251 N C 0.918 176.453 175.510 0.041 0.000 1.032 251 N CA 0.683 53.756 53.050 0.037 0.000 0.898 251 N CB 0.229 38.745 38.487 0.048 0.000 0.971 251 N HN 0.241 nan 8.380 nan 0.000 0.441 252 L N 1.048 122.295 121.223 0.039 0.000 2.741 252 L HA 0.187 4.527 4.340 -0.001 0.000 0.237 252 L C -0.467 176.426 176.870 0.039 0.000 1.178 252 L CA -0.175 54.690 54.840 0.042 0.000 0.973 252 L CB -0.212 41.874 42.059 0.044 0.000 1.255 252 L HN 0.068 nan 8.230 nan 0.000 0.498 253 N N 0.232 118.952 118.700 0.033 0.000 2.641 253 N HA -0.209 4.531 4.740 -0.001 0.000 0.267 253 N C -0.086 175.444 175.510 0.033 0.000 1.087 253 N CA 1.067 54.136 53.050 0.030 0.000 0.731 253 N CB -1.787 36.719 38.487 0.031 0.000 0.886 253 N HN 0.522 nan 8.380 nan 0.000 0.547 254 C N 0.719 120.037 119.300 0.031 0.000 2.397 254 C HA 0.601 5.061 4.460 -0.001 0.000 0.343 254 C C 1.086 176.094 174.990 0.029 0.000 1.188 254 C CA -0.833 58.207 59.018 0.037 0.000 1.992 254 C CB 1.270 29.033 27.740 0.038 0.000 2.358 254 C HN 0.557 nan 8.230 nan 0.000 0.518 255 N N 2.295 121.015 118.700 0.032 0.000 2.468 255 N HA 0.237 4.977 4.740 -0.001 0.000 0.265 255 N C 0.042 175.561 175.510 0.016 0.000 1.199 255 N CA 0.266 53.328 53.050 0.020 0.000 0.928 255 N CB 0.417 38.912 38.487 0.015 0.000 1.059 255 N HN 0.653 nan 8.380 nan 0.000 0.467 256 L N 2.919 124.147 121.223 0.009 0.000 3.017 256 L HA 0.250 4.589 4.340 -0.001 0.000 0.255 256 L C 1.112 177.983 176.870 0.002 0.000 1.247 256 L CA -0.339 54.504 54.840 0.005 0.000 1.038 256 L CB -0.125 41.935 42.059 0.003 0.000 1.380 256 L HN 0.400 nan 8.230 nan 0.000 0.548 257 N N 0.647 119.348 118.700 0.001 0.000 2.396 257 N HA -0.036 4.703 4.740 -0.001 0.000 0.180 257 N C 0.623 176.132 175.510 -0.001 0.000 1.028 257 N CA 0.671 53.721 53.050 -0.001 0.000 0.893 257 N CB 0.398 38.883 38.487 -0.003 0.000 0.967 257 N HN 0.493 nan 8.380 nan 0.000 0.440 258 S N -1.516 114.184 115.700 0.000 0.000 2.611 258 S HA 0.308 4.778 4.470 -0.001 0.000 0.268 258 S C -0.181 174.420 174.600 0.003 0.000 1.156 258 S CA -0.850 57.350 58.200 0.000 0.000 0.817 258 S CB 1.497 64.697 63.200 -0.001 0.000 1.122 258 S HN -0.258 nan 8.310 nan 0.000 0.466 259 D N 1.160 121.561 120.400 0.001 0.000 2.104 259 D HA -0.057 4.583 4.640 -0.001 0.000 0.194 259 D C 1.564 177.873 176.300 0.015 0.000 0.994 259 D CA 1.985 55.985 54.000 -0.000 0.000 0.830 259 D CB -0.326 40.471 40.800 -0.005 0.000 0.959 259 D HN 0.707 nan 8.370 nan 0.000 0.452 260 E N 0.675 120.888 120.200 0.022 0.000 2.085 260 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 260 E C 1.921 178.557 176.600 0.061 0.000 0.994 260 E CA 0.944 57.370 56.400 0.044 0.000 0.801 260 E CB -0.235 29.482 29.700 0.029 0.000 0.743 260 E HN 0.219 nan 8.360 nan 0.000 0.453 261 E N 0.322 120.540 120.200 0.030 0.000 2.038 261 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 261 E C 1.816 178.452 176.600 0.061 0.000 1.000 261 E CA 0.839 57.254 56.400 0.025 0.000 0.803 261 E CB -0.276 29.428 29.700 0.006 0.000 0.750 261 E HN 0.244 nan 8.360 nan 0.000 0.448 262 L N 0.258 121.506 121.223 0.041 0.000 1.988 262 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 262 L C 2.178 179.077 176.870 0.049 0.000 1.071 262 L CA 1.656 56.515 54.840 0.032 0.000 0.744 262 L CB -0.644 41.410 42.059 -0.007 0.000 0.893 262 L HN 0.260 nan 8.230 nan 0.000 0.433 263 I N -0.347 120.250 120.570 0.044 0.000 2.151 263 I HA -0.389 3.781 4.170 -0.001 0.000 0.243 263 I C 2.683 178.890 176.117 0.150 0.000 1.080 263 I CA 1.805 63.151 61.300 0.077 0.000 1.339 263 I CB -0.874 37.177 38.000 0.085 0.000 1.039 263 I HN 0.520 nan 8.210 nan 0.000 0.409 264 H N 1.382 120.490 119.070 0.064 0.000 2.319 264 H HA -0.264 4.292 4.556 -0.001 0.000 0.299 264 H C 2.380 177.747 175.328 0.064 0.000 1.092 264 H CA 2.343 58.428 56.048 0.062 0.000 1.302 264 H CB -0.249 29.537 29.762 0.039 0.000 1.373 264 H HN 0.634 nan 8.280 nan 0.000 0.497 265 C N 1.566 121.012 119.300 0.242 0.000 2.413 265 C HA -0.051 4.408 4.460 -0.001 0.000 0.276 265 C C 3.219 178.255 174.990 0.077 0.000 1.248 265 C CA 1.170 60.288 59.018 0.167 0.000 1.742 265 C CB -1.340 26.479 27.740 0.132 0.000 2.017 265 C HN 0.542 nan 8.230 nan 0.000 0.481 266 L N -0.413 120.867 121.223 0.096 0.000 2.093 266 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 266 L C 2.977 179.947 176.870 0.167 0.000 1.085 266 L CA 1.174 56.100 54.840 0.145 0.000 0.755 266 L CB -0.504 41.655 42.059 0.167 0.000 0.904 266 L HN 0.391 nan 8.230 nan 0.000 0.435 267 R N -0.247 120.317 120.500 0.107 0.000 2.237 267 R HA -0.090 4.250 4.340 -0.001 0.000 0.219 267 R C 1.404 177.655 176.300 -0.083 0.000 1.080 267 R CA 0.571 56.658 56.100 -0.022 0.000 0.995 267 R CB 0.017 30.273 30.300 -0.072 0.000 0.875 267 R HN 0.280 nan 8.270 nan 0.000 0.462 268 E N 0.367 120.510 120.200 -0.095 0.000 2.479 268 E HA 0.054 4.403 4.350 -0.001 0.000 0.193 268 E C -0.111 176.486 176.600 -0.005 0.000 1.049 268 E CA 0.394 56.748 56.400 -0.076 0.000 0.870 268 E CB 0.357 29.998 29.700 -0.098 0.000 0.944 268 E HN 0.019 nan 8.360 nan 0.000 0.492 269 K N 1.214 121.630 120.400 0.026 0.000 2.118 269 K HA 0.278 4.598 4.320 -0.001 0.000 0.267 269 K C 0.341 176.982 176.600 0.069 0.000 0.991 269 K CA -0.417 55.903 56.287 0.054 0.000 0.916 269 K CB 1.344 33.888 32.500 0.073 0.000 1.041 269 K HN -0.120 nan 8.250 nan 0.000 0.455 270 K N 2.318 122.759 120.400 0.070 0.000 2.355 270 K HA 0.036 4.356 4.320 -0.001 0.000 0.270 270 K C -1.587 175.095 176.600 0.137 0.000 1.003 270 K CA -1.427 54.905 56.287 0.074 0.000 0.957 270 K CB 0.159 32.694 32.500 0.059 0.000 0.939 270 K HN 0.175 nan 8.250 nan 0.000 0.482 271 P HA -0.242 nan 4.420 nan 0.000 0.216 271 P C 0.988 178.485 177.300 0.329 0.000 1.154 271 P CA 1.283 64.561 63.100 0.297 0.000 0.865 271 P CB 0.241 31.953 31.700 0.021 0.000 0.789 272 Q N -0.186 119.726 119.800 0.186 0.000 2.488 272 Q HA -0.131 4.208 4.340 -0.001 0.000 0.211 272 Q C 1.584 177.684 176.000 0.166 0.000 0.967 272 Q CA 1.288 57.195 55.803 0.175 0.000 0.926 272 Q CB -0.738 28.069 28.738 0.114 0.000 0.992 272 Q HN 0.377 nan 8.270 nan 0.000 0.506 273 E N -1.174 119.118 120.200 0.153 0.000 2.190 273 E HA -0.062 4.287 4.350 -0.001 0.000 0.191 273 E C 1.221 177.892 176.600 0.118 0.000 0.978 273 E CA 0.360 56.834 56.400 0.122 0.000 0.839 273 E CB 0.157 29.915 29.700 0.097 0.000 0.787 273 E HN 0.234 nan 8.360 nan 0.000 0.473 274 L N 0.790 122.084 121.223 0.119 0.000 2.179 274 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 274 L C 2.111 179.031 176.870 0.084 0.000 1.096 274 L CA 1.192 56.057 54.840 0.041 0.000 0.779 274 L CB -0.170 41.821 42.059 -0.112 0.000 0.922 274 L HN 0.131 nan 8.230 nan 0.000 0.443 275 I N -0.787 119.890 120.570 0.178 0.000 2.353 275 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 275 I C 1.790 178.075 176.117 0.281 0.000 1.119 275 I CA 0.811 62.267 61.300 0.260 0.000 1.417 275 I CB -0.356 37.853 38.000 0.349 0.000 1.078 275 I HN 0.226 nan 8.210 nan 0.000 0.421 276 D N 0.706 121.243 120.400 0.229 0.000 2.218 276 D HA -0.121 4.518 4.640 -0.001 0.000 0.204 276 D C 1.960 178.384 176.300 0.206 0.000 0.976 276 D CA 1.514 55.647 54.000 0.220 0.000 0.853 276 D CB 0.125 41.020 40.800 0.158 0.000 0.939 276 D HN 0.383 nan 8.370 nan 0.000 0.481 277 V N -2.342 117.673 119.914 0.168 0.000 3.528 277 V HA 0.153 4.273 4.120 -0.001 0.000 0.294 277 V C 1.927 178.098 176.094 0.129 0.000 1.404 277 V CA 0.010 62.395 62.300 0.141 0.000 1.065 277 V CB 0.315 32.199 31.823 0.102 0.000 0.904 277 V HN -0.066 nan 8.190 nan 0.000 0.435 278 E N 1.014 121.288 120.200 0.123 0.000 2.086 278 E HA -0.306 4.043 4.350 -0.001 0.000 0.205 278 E C 1.546 178.043 176.600 -0.172 0.000 1.027 278 E CA 2.842 59.263 56.400 0.034 0.000 0.830 278 E CB -0.282 29.385 29.700 -0.056 0.000 0.751 278 E HN 0.797 nan 8.360 nan 0.000 0.456 279 W N 0.764 122.035 121.300 -0.048 0.000 2.848 279 W HA -0.007 4.652 4.660 -0.000 0.000 0.241 279 W C 1.508 177.976 176.519 -0.085 0.000 1.289 279 W CA 0.167 57.443 57.345 -0.115 0.000 1.396 279 W CB 0.005 29.370 29.460 -0.158 0.000 1.138 279 W HN 0.134 nan 8.180 nan 0.000 0.677 280 N N -0.171 118.592 118.700 0.106 0.000 2.467 280 N HA -0.076 4.664 4.740 -0.001 0.000 0.184 280 N C 1.760 177.264 175.510 -0.010 0.000 1.106 280 N CA 1.230 54.316 53.050 0.061 0.000 0.892 280 N CB -0.447 38.078 38.487 0.063 0.000 0.969 280 N HN 0.248 nan 8.380 nan 0.000 0.454 281 V N -2.029 117.838 119.914 -0.079 0.000 3.541 281 V HA 0.215 4.335 4.120 -0.001 0.000 0.267 281 V C 0.851 176.838 176.094 -0.179 0.000 1.213 281 V CA -0.020 62.198 62.300 -0.137 0.000 1.149 281 V CB -0.683 31.021 31.823 -0.197 0.000 0.822 281 V HN 0.001 nan 8.190 nan 0.000 0.462 282 L N 2.503 123.636 121.223 -0.150 0.000 2.525 282 L HA 0.145 4.485 4.340 -0.001 0.000 0.278 282 L C -0.257 176.512 176.870 -0.169 0.000 1.218 282 L CA -0.691 54.065 54.840 -0.139 0.000 0.878 282 L CB 0.462 42.504 42.059 -0.028 0.000 1.127 282 L HN 0.184 nan 8.230 nan 0.000 0.492 283 P HA -0.046 nan 4.420 nan 0.000 0.225 283 P C -0.211 176.679 177.300 -0.682 0.000 1.156 283 P CA 1.114 63.874 63.100 -0.567 0.000 0.787 283 P CB 0.292 31.500 31.700 -0.819 0.000 0.802 284 F N -0.665 119.281 119.950 -0.008 0.000 2.629 284 F HA 0.349 4.876 4.527 -0.001 0.000 0.316 284 F C 0.294 176.099 175.800 0.009 0.000 1.081 284 F CA -1.673 56.330 58.000 0.005 0.000 0.954 284 F CB 0.324 39.332 39.000 0.013 0.000 1.337 284 F HN -0.360 nan 8.300 nan 0.000 0.474 285 D N 1.504 122.049 120.400 0.241 0.000 2.338 285 D HA 0.368 5.007 4.640 -0.001 0.000 0.255 285 D C -0.696 175.678 176.300 0.122 0.000 1.237 285 D CA 0.401 54.478 54.000 0.129 0.000 0.883 285 D CB 0.395 41.250 40.800 0.091 0.000 1.087 285 D HN 0.594 nan 8.370 nan 0.000 0.485 286 S N 3.167 118.930 115.700 0.104 0.000 2.651 286 S HA 0.637 5.107 4.470 -0.001 0.000 0.279 286 S C -0.535 174.098 174.600 0.054 0.000 1.148 286 S CA -1.042 57.208 58.200 0.082 0.000 0.837 286 S CB 1.417 64.688 63.200 0.118 0.000 1.138 286 S HN 0.471 nan 8.310 nan 0.000 0.478 287 I N 0.854 121.450 120.570 0.042 0.000 2.545 287 I HA 0.626 4.796 4.170 -0.001 0.000 0.292 287 I C -1.060 175.083 176.117 0.044 0.000 1.040 287 I CA -0.910 60.424 61.300 0.057 0.000 1.068 287 I CB 1.323 39.356 38.000 0.055 0.000 1.251 287 I HN 0.885 nan 8.210 nan 0.000 0.424 288 F N 5.794 125.608 119.950 -0.225 0.000 3.056 288 F HA -0.194 4.333 4.527 -0.001 0.000 0.301 288 F C -0.817 174.477 175.800 -0.843 0.000 0.907 288 F CA 0.441 58.045 58.000 -0.660 0.000 1.113 288 F CB -0.686 37.794 39.000 -0.866 0.000 1.123 288 F HN 0.520 nan 8.300 nan 0.000 0.661 289 R N 0.489 120.594 120.500 -0.657 0.000 2.673 289 R HA 0.679 5.019 4.340 -0.001 0.000 0.281 289 R C -1.044 174.797 176.300 -0.766 0.000 0.991 289 R CA -0.580 55.131 56.100 -0.648 0.000 0.896 289 R CB 1.424 31.627 30.300 -0.162 0.000 1.201 289 R HN -0.010 nan 8.270 nan 0.000 0.457 290 F N -0.798 119.232 119.950 0.135 0.000 2.563 290 F HA 0.403 4.929 4.527 -0.001 0.000 0.316 290 F C 1.585 177.232 175.800 -0.254 0.000 1.076 290 F CA -0.886 57.078 58.000 -0.061 0.000 0.921 290 F CB 1.606 40.678 39.000 0.120 0.000 1.209 290 F HN 0.355 nan 8.300 nan 0.000 0.462 291 S N 0.674 116.129 115.700 -0.407 0.000 2.380 291 S HA -0.101 4.369 4.470 -0.001 0.000 0.217 291 S C 0.145 174.294 174.600 -0.752 0.000 1.036 291 S CA 1.324 59.087 58.200 -0.729 0.000 1.050 291 S CB -0.323 62.197 63.200 -1.134 0.000 1.016 291 S HN 0.346 nan 8.310 nan 0.000 0.419 292 F N 1.807 121.712 119.950 -0.075 0.000 2.361 292 F HA 0.556 5.083 4.527 -0.001 0.000 0.364 292 F C 0.129 175.897 175.800 -0.052 0.000 1.120 292 F CA -0.902 57.095 58.000 -0.004 0.000 1.102 292 F CB 0.772 39.807 39.000 0.058 0.000 1.183 292 F HN -0.030 nan 8.300 nan 0.000 0.476 293 V N 0.875 120.755 119.914 -0.058 0.000 3.167 293 V HA 0.731 4.851 4.120 -0.001 0.000 0.310 293 V C -2.886 172.950 176.094 -0.430 0.000 1.207 293 V CA -3.325 58.666 62.300 -0.514 0.000 1.059 293 V CB 1.887 33.552 31.823 -0.263 0.000 1.079 293 V HN 0.279 nan 8.190 nan 0.000 0.446 294 P HA 0.188 nan 4.420 nan 0.000 0.266 294 P C -0.848 176.383 177.300 -0.114 0.000 1.186 294 P CA 0.398 63.344 63.100 -0.258 0.000 0.767 294 P CB 0.590 32.056 31.700 -0.389 0.000 0.820 295 V N 4.413 124.341 119.914 0.024 0.000 2.656 295 V HA 0.329 4.449 4.120 -0.001 0.000 0.307 295 V C -0.429 175.726 176.094 0.102 0.000 1.051 295 V CA -0.964 61.343 62.300 0.012 0.000 0.893 295 V CB 1.397 33.232 31.823 0.021 0.000 0.999 295 V HN 0.224 nan 8.190 nan 0.000 0.426 296 I N 7.110 127.681 120.570 0.001 0.000 2.455 296 I HA 0.139 4.309 4.170 -0.001 0.000 0.303 296 I C 1.192 177.336 176.117 0.046 0.000 1.180 296 I CA 0.360 61.694 61.300 0.056 0.000 1.469 296 I CB -0.491 37.450 38.000 -0.099 0.000 1.480 296 I HN 0.889 nan 8.210 nan 0.000 0.669 297 D N 3.612 124.092 120.400 0.132 0.000 2.162 297 D HA -0.011 4.628 4.640 -0.001 0.000 0.205 297 D C 1.487 177.796 176.300 0.014 0.000 0.964 297 D CA 1.364 55.358 54.000 -0.010 0.000 0.847 297 D CB 0.185 41.068 40.800 0.138 0.000 0.988 297 D HN 0.585 nan 8.370 nan 0.000 0.480 298 G N -0.203 108.677 108.800 0.133 0.000 2.260 298 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.179 298 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.179 298 G C 0.846 175.821 174.900 0.125 0.000 1.002 298 G CA 0.307 45.480 45.100 0.121 0.000 0.677 298 G HN 0.431 nan 8.290 nan 0.000 0.486 299 E N -0.913 119.368 120.200 0.135 0.000 2.307 299 E HA 0.402 4.751 4.350 -0.001 0.000 0.192 299 E C 1.749 178.360 176.600 0.018 0.000 0.967 299 E CA -0.227 56.221 56.400 0.080 0.000 1.042 299 E CB -0.003 29.755 29.700 0.095 0.000 1.126 299 E HN 0.143 nan 8.360 nan 0.000 0.484 300 F N 0.866 120.715 119.950 -0.168 0.000 2.161 300 F HA -0.042 4.485 4.527 -0.000 0.000 0.300 300 F C 0.121 175.593 175.800 -0.546 0.000 1.089 300 F CA 1.104 58.852 58.000 -0.420 0.000 1.282 300 F CB 0.298 38.916 39.000 -0.637 0.000 1.010 300 F HN -0.127 nan 8.300 nan 0.000 0.485 301 F N 0.407 120.499 119.950 0.237 0.000 2.382 301 F HA 0.363 4.889 4.527 -0.001 0.000 0.361 301 F C -1.541 174.301 175.800 0.070 0.000 1.109 301 F CA -3.042 55.040 58.000 0.137 0.000 1.031 301 F CB 0.590 39.656 39.000 0.109 0.000 1.234 301 F HN -0.263 nan 8.300 nan 0.000 0.445 302 P HA -0.161 nan 4.420 nan 0.000 0.213 302 P C 0.737 178.102 177.300 0.108 0.000 1.176 302 P CA 2.321 65.488 63.100 0.112 0.000 0.919 302 P CB 0.154 31.902 31.700 0.080 0.000 0.791 303 T N -5.392 109.228 114.554 0.110 0.000 2.572 303 T HA 0.466 4.816 4.350 -0.001 0.000 0.244 303 T C 0.106 174.839 174.700 0.055 0.000 0.860 303 T CA -0.447 61.694 62.100 0.069 0.000 1.125 303 T CB 0.320 69.216 68.868 0.046 0.000 1.491 303 T HN 0.036 nan 8.240 nan 0.000 0.532 304 S N -0.019 115.690 115.700 0.015 0.000 2.592 304 S HA 0.346 4.816 4.470 -0.001 0.000 0.271 304 S C 1.424 176.004 174.600 -0.034 0.000 1.326 304 S CA -0.876 57.306 58.200 -0.030 0.000 1.024 304 S CB -0.075 63.105 63.200 -0.033 0.000 0.921 304 S HN 0.625 nan 8.310 nan 0.000 0.527 305 L N 0.476 121.635 121.223 -0.107 0.000 2.042 305 L HA -0.091 4.249 4.340 -0.001 0.000 0.210 305 L C 2.898 179.765 176.870 -0.004 0.000 1.076 305 L CA 1.696 56.481 54.840 -0.092 0.000 0.749 305 L CB -0.708 41.229 42.059 -0.203 0.000 0.893 305 L HN 0.741 nan 8.230 nan 0.000 0.432 306 E N 0.495 120.695 120.200 -0.001 0.000 2.110 306 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 306 E C 2.305 178.946 176.600 0.068 0.000 0.988 306 E CA 1.642 58.076 56.400 0.057 0.000 0.804 306 E CB -0.098 29.629 29.700 0.044 0.000 0.745 306 E HN 0.494 nan 8.360 nan 0.000 0.458 307 S N -0.916 114.811 115.700 0.045 0.000 2.436 307 S HA -0.070 4.400 4.470 -0.001 0.000 0.228 307 S C 2.091 176.724 174.600 0.055 0.000 1.014 307 S CA 0.842 59.071 58.200 0.047 0.000 0.950 307 S CB -0.241 62.978 63.200 0.031 0.000 0.784 307 S HN 0.200 nan 8.310 nan 0.000 0.504 308 M N 0.963 120.606 119.600 0.071 0.000 2.099 308 M HA 0.085 4.565 4.480 -0.001 0.000 0.262 308 M C 2.146 178.548 176.300 0.169 0.000 1.067 308 M CA 1.368 56.733 55.300 0.109 0.000 1.124 308 M CB -0.576 32.111 32.600 0.146 0.000 1.353 308 M HN 0.309 nan 8.290 nan 0.000 0.410 309 L N -0.048 121.270 121.223 0.158 0.000 2.131 309 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 309 L C 2.000 178.959 176.870 0.149 0.000 1.092 309 L CA 0.824 55.764 54.840 0.167 0.000 0.759 309 L CB -0.689 41.412 42.059 0.069 0.000 0.903 309 L HN 0.390 nan 8.230 nan 0.000 0.435 310 N N -0.632 118.131 118.700 0.104 0.000 2.416 310 N HA -0.074 4.665 4.740 -0.001 0.000 0.177 310 N C 1.825 177.382 175.510 0.079 0.000 1.036 310 N CA 1.335 54.454 53.050 0.115 0.000 0.901 310 N CB 0.191 38.739 38.487 0.103 0.000 0.976 310 N HN 0.328 nan 8.380 nan 0.000 0.444 311 S N -1.094 114.593 115.700 -0.021 0.000 2.556 311 S HA 0.253 4.723 4.470 -0.001 0.000 0.216 311 S C 1.388 175.753 174.600 -0.392 0.000 0.970 311 S CA 0.367 58.513 58.200 -0.090 0.000 0.912 311 S CB 0.403 63.570 63.200 -0.056 0.000 0.790 311 S HN 0.302 nan 8.310 nan 0.000 0.504 312 G N 2.087 110.390 108.800 -0.829 0.000 2.143 312 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.248 312 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.248 312 G C -0.013 174.101 174.900 -1.309 0.000 0.991 312 G CA 0.093 44.065 45.100 -1.881 0.000 0.689 312 G HN 0.623 nan 8.290 nan 0.000 0.522 313 N N 0.689 119.032 118.700 -0.595 0.000 2.739 313 N HA 0.512 5.252 4.740 -0.001 0.000 0.266 313 N C -0.214 175.249 175.510 -0.078 0.000 1.168 313 N CA -0.030 52.844 53.050 -0.294 0.000 1.055 313 N CB -0.912 37.525 38.487 -0.083 0.000 1.393 313 N HN 0.853 nan 8.380 nan 0.000 0.514 314 F N -0.805 119.087 119.950 -0.097 0.000 2.793 314 F HA 0.293 4.819 4.527 -0.000 0.000 0.316 314 F C -0.541 175.269 175.800 0.016 0.000 1.147 314 F CA -1.384 56.620 58.000 0.007 0.000 0.930 314 F CB 0.465 39.515 39.000 0.084 0.000 1.277 314 F HN -0.053 nan 8.300 nan 0.000 0.443 315 K N 2.281 122.892 120.400 0.350 0.000 2.402 315 K HA 0.107 4.427 4.320 -0.001 0.000 0.279 315 K C -0.897 175.911 176.600 0.346 0.000 1.082 315 K CA 0.049 56.471 56.287 0.226 0.000 1.080 315 K CB 0.286 32.874 32.500 0.147 0.000 0.899 315 K HN 0.642 nan 8.250 nan 0.000 0.469 316 K N 3.158 123.645 120.400 0.145 0.000 2.284 316 K HA 0.123 4.443 4.320 -0.001 0.000 0.287 316 K C 0.132 176.843 176.600 0.186 0.000 1.081 316 K CA -0.211 56.165 56.287 0.148 0.000 0.910 316 K CB 1.730 34.228 32.500 -0.003 0.000 1.088 316 K HN 0.647 nan 8.250 nan 0.000 0.478 317 T N 1.365 116.118 114.554 0.331 0.000 2.611 317 T HA 0.316 4.666 4.350 -0.001 0.000 0.269 317 T C -1.298 173.598 174.700 0.327 0.000 1.032 317 T CA -0.563 61.688 62.100 0.251 0.000 1.178 317 T CB 0.573 69.564 68.868 0.205 0.000 1.651 317 T HN 0.403 nan 8.240 nan 0.000 0.456 318 Q N 0.642 120.613 119.800 0.285 0.000 2.301 318 Q HA 0.803 5.143 4.340 -0.001 0.000 0.267 318 Q C -0.665 175.605 176.000 0.451 0.000 1.035 318 Q CA -0.599 55.427 55.803 0.371 0.000 0.856 318 Q CB 1.929 30.881 28.738 0.357 0.000 1.337 318 Q HN 0.720 nan 8.270 nan 0.000 0.450 319 I N -1.587 119.201 120.570 0.363 0.000 2.802 319 I HA 0.670 4.840 4.170 -0.001 0.000 0.298 319 I C -1.616 174.406 176.117 -0.160 0.000 1.176 319 I CA -1.312 60.065 61.300 0.129 0.000 1.025 319 I CB 1.974 39.876 38.000 -0.164 0.000 1.243 319 I HN 0.553 nan 8.210 nan 0.000 0.424 320 L N 6.863 127.799 121.223 -0.479 0.000 2.372 320 L HA 0.760 5.099 4.340 -0.001 0.000 0.274 320 L C -1.403 175.284 176.870 -0.305 0.000 0.988 320 L CA -0.527 53.928 54.840 -0.642 0.000 0.833 320 L CB 1.548 42.727 42.059 -1.466 0.000 1.236 320 L HN 0.805 nan 8.230 nan 0.000 0.410 321 L N 2.358 123.511 121.223 -0.117 0.000 2.479 321 L HA 1.107 5.447 4.340 -0.001 0.000 0.255 321 L C -0.785 175.919 176.870 -0.276 0.000 1.026 321 L CA -0.451 54.349 54.840 -0.067 0.000 0.842 321 L CB 2.036 44.049 42.059 -0.076 0.000 1.444 321 L HN 0.647 nan 8.230 nan 0.000 0.409 322 G N 0.094 108.531 108.800 -0.604 0.000 2.548 322 G HA2 0.636 4.596 3.960 -0.001 0.000 0.301 322 G HA3 0.636 4.596 3.960 -0.001 0.000 0.301 322 G C -1.398 173.173 174.900 -0.548 0.000 1.349 322 G CA 0.007 44.409 45.100 -1.165 0.000 0.792 322 G HN 1.326 nan 8.290 nan 0.000 0.481 323 V N -2.713 117.038 119.914 -0.271 0.000 3.182 323 V HA 0.806 4.925 4.120 -0.001 0.000 0.308 323 V C -1.042 175.139 176.094 0.145 0.000 1.240 323 V CA -1.450 60.891 62.300 0.068 0.000 1.063 323 V CB 1.854 33.752 31.823 0.125 0.000 1.076 323 V HN 0.636 nan 8.190 nan 0.000 0.446 324 N N 0.825 119.627 118.700 0.169 0.000 2.492 324 N HA 0.398 5.138 4.740 -0.001 0.000 0.289 324 N C 0.571 176.045 175.510 -0.060 0.000 1.133 324 N CA -0.421 52.703 53.050 0.123 0.000 0.961 324 N CB 1.853 40.497 38.487 0.261 0.000 1.186 324 N HN 0.925 nan 8.380 nan 0.000 0.493 325 K N 0.177 120.440 120.400 -0.228 0.000 2.057 325 K HA -0.078 4.242 4.320 -0.001 0.000 0.207 325 K C -0.609 176.070 176.600 0.131 0.000 1.049 325 K CA 1.280 57.489 56.287 -0.132 0.000 0.931 325 K CB 0.228 32.671 32.500 -0.095 0.000 0.714 325 K HN 0.496 nan 8.250 nan 0.000 0.440 326 D N 1.046 121.527 120.400 0.136 0.000 2.607 326 D HA 0.045 4.684 4.640 -0.001 0.000 0.318 326 D C 0.137 176.561 176.300 0.207 0.000 1.212 326 D CA -0.079 54.025 54.000 0.173 0.000 0.861 326 D CB 1.324 42.211 40.800 0.145 0.000 1.064 326 D HN 0.173 nan 8.370 nan 0.000 0.500 327 E N 0.563 120.901 120.200 0.229 0.000 2.110 327 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 327 E C 1.992 178.751 176.600 0.266 0.000 0.988 327 E CA 0.628 57.193 56.400 0.275 0.000 0.804 327 E CB 0.169 30.012 29.700 0.237 0.000 0.745 327 E HN 0.427 nan 8.360 nan 0.000 0.458 328 G N 2.157 111.089 108.800 0.220 0.000 2.484 328 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.215 328 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.215 328 G C 1.732 176.807 174.900 0.292 0.000 1.219 328 G CA 2.249 47.494 45.100 0.241 0.000 0.791 328 G HN 0.401 nan 8.290 nan 0.000 0.550 329 S N 0.727 116.566 115.700 0.232 0.000 2.457 329 S HA -0.393 4.077 4.470 -0.001 0.000 0.269 329 S C 2.079 176.742 174.600 0.106 0.000 1.139 329 S CA 2.125 60.453 58.200 0.212 0.000 1.176 329 S CB -0.976 62.276 63.200 0.086 0.000 1.088 329 S HN 0.255 nan 8.310 nan 0.000 0.443 330 F N 1.811 121.698 119.950 -0.106 0.000 2.192 330 F HA 0.038 4.564 4.527 -0.000 0.000 0.301 330 F C 1.763 177.305 175.800 -0.430 0.000 1.079 330 F CA 0.814 58.594 58.000 -0.367 0.000 1.303 330 F CB -0.508 38.144 39.000 -0.581 0.000 1.024 330 F HN 0.215 nan 8.300 nan 0.000 0.494 331 F N -1.293 118.688 119.950 0.052 0.000 2.569 331 F HA 0.066 4.593 4.527 -0.000 0.000 0.295 331 F C 1.985 177.763 175.800 -0.037 0.000 1.115 331 F CA 0.393 58.371 58.000 -0.037 0.000 1.450 331 F CB -0.711 38.202 39.000 -0.146 0.000 1.107 331 F HN -0.163 nan 8.300 nan 0.000 0.563 332 L N -0.715 120.522 121.223 0.022 0.000 2.131 332 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 332 L C 2.387 179.079 176.870 -0.296 0.000 1.087 332 L CA 0.447 55.035 54.840 -0.420 0.000 0.767 332 L CB -0.505 40.942 42.059 -1.019 0.000 0.917 332 L HN 0.155 nan 8.230 nan 0.000 0.441 333 L N -0.991 120.285 121.223 0.089 0.000 2.042 333 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 333 L C 2.287 179.333 176.870 0.294 0.000 1.076 333 L CA 2.040 57.087 54.840 0.344 0.000 0.749 333 L CB -0.587 41.687 42.059 0.358 0.000 0.893 333 L HN 0.116 nan 8.230 nan 0.000 0.432 334 Y N -0.974 119.375 120.300 0.082 0.000 2.420 334 Y HA 0.197 4.747 4.550 -0.000 0.000 0.292 334 Y C 2.318 178.222 175.900 0.006 0.000 1.119 334 Y CA 0.956 59.090 58.100 0.057 0.000 1.229 334 Y CB -0.327 38.150 38.460 0.028 0.000 1.026 334 Y HN 0.256 nan 8.280 nan 0.000 0.554 335 G N -1.594 107.296 108.800 0.150 0.000 2.695 335 G HA2 0.369 4.329 3.960 -0.001 0.000 0.205 335 G HA3 0.369 4.329 3.960 -0.001 0.000 0.205 335 G C 0.129 175.055 174.900 0.043 0.000 1.068 335 G CA 0.369 45.512 45.100 0.071 0.000 0.842 335 G HN 0.266 nan 8.290 nan 0.000 0.628 336 A N 2.208 125.030 122.820 0.004 0.000 2.328 336 A HA 0.681 5.000 4.320 -0.001 0.000 0.284 336 A C -2.263 175.445 177.584 0.208 0.000 1.160 336 A CA -1.364 50.694 52.037 0.035 0.000 0.818 336 A CB 0.511 19.430 19.000 -0.135 0.000 1.087 336 A HN 0.123 nan 8.150 nan 0.000 0.504 337 P HA 0.281 nan 4.420 nan 0.000 0.271 337 P C 0.783 178.196 177.300 0.188 0.000 1.220 337 P CA 1.244 64.437 63.100 0.156 0.000 0.768 337 P CB 1.190 32.940 31.700 0.084 0.000 0.848 338 G N 2.180 111.042 108.800 0.104 0.000 2.316 338 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.203 338 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.203 338 G C -0.355 174.384 174.900 -0.268 0.000 0.999 338 G CA -0.574 44.464 45.100 -0.104 0.000 0.649 338 G HN 0.401 nan 8.290 nan 0.000 0.489 339 F N 2.349 122.234 119.950 -0.109 0.000 2.394 339 F HA 0.770 5.297 4.527 -0.000 0.000 0.340 339 F C 0.625 176.423 175.800 -0.002 0.000 1.105 339 F CA -0.620 57.281 58.000 -0.165 0.000 1.124 339 F CB 2.132 41.066 39.000 -0.110 0.000 1.145 339 F HN -0.008 nan 8.300 nan 0.000 0.505 340 S N 1.817 117.622 115.700 0.174 0.000 2.547 340 S HA 0.246 4.716 4.470 -0.001 0.000 0.281 340 S C 0.703 175.528 174.600 0.375 0.000 1.118 340 S CA -1.074 57.263 58.200 0.228 0.000 0.947 340 S CB 2.103 65.363 63.200 0.100 0.000 1.053 340 S HN 0.735 nan 8.310 nan 0.000 0.482 341 K N 0.993 121.568 120.400 0.291 0.000 2.280 341 K HA -0.083 4.237 4.320 -0.001 0.000 0.202 341 K C -0.201 176.466 176.600 0.111 0.000 1.047 341 K CA 1.295 57.677 56.287 0.158 0.000 0.942 341 K CB 0.098 32.455 32.500 -0.237 0.000 0.739 341 K HN 0.468 nan 8.250 nan 0.000 0.457 342 D N 0.296 120.762 120.400 0.109 0.000 2.462 342 D HA 0.041 4.681 4.640 -0.001 0.000 0.221 342 D C -0.224 176.132 176.300 0.094 0.000 1.173 342 D CA 0.103 54.143 54.000 0.067 0.000 0.831 342 D CB 0.911 41.715 40.800 0.007 0.000 1.001 342 D HN 0.186 nan 8.370 nan 0.000 0.499 343 S N -1.172 114.614 115.700 0.143 0.000 2.704 343 S HA 0.359 4.828 4.470 -0.001 0.000 0.296 343 S C 0.754 175.403 174.600 0.081 0.000 1.138 343 S CA -0.713 57.528 58.200 0.069 0.000 0.875 343 S CB 2.344 65.537 63.200 -0.013 0.000 1.151 343 S HN -0.157 nan 8.310 nan 0.000 0.500 344 E N 0.727 120.925 120.200 -0.004 0.000 2.478 344 E HA 0.049 4.399 4.350 -0.001 0.000 0.198 344 E C -0.399 175.983 176.600 -0.365 0.000 1.046 344 E CA 0.464 56.843 56.400 -0.035 0.000 0.870 344 E CB -0.274 29.411 29.700 -0.025 0.000 0.818 344 E HN 0.691 nan 8.360 nan 0.000 0.527 345 S N 1.287 116.721 115.700 -0.445 0.000 3.550 345 S HA -0.185 4.284 4.470 -0.001 0.000 0.372 345 S C -0.288 173.917 174.600 -0.658 0.000 0.966 345 S CA 0.702 58.478 58.200 -0.706 0.000 1.229 345 S CB -1.160 61.258 63.200 -1.304 0.000 0.917 345 S HN 0.274 nan 8.310 nan 0.000 0.496 346 K N 0.977 121.143 120.400 -0.390 0.000 2.322 346 K HA 0.351 4.671 4.320 -0.001 0.000 0.283 346 K C 0.330 176.737 176.600 -0.321 0.000 1.042 346 K CA -0.250 55.860 56.287 -0.295 0.000 0.958 346 K CB 0.469 32.864 32.500 -0.175 0.000 0.984 346 K HN 0.213 nan 8.250 nan 0.000 0.473 347 I N 2.471 122.868 120.570 -0.288 0.000 2.377 347 I HA 0.093 4.263 4.170 -0.001 0.000 0.293 347 I C 0.904 176.963 176.117 -0.097 0.000 0.987 347 I CA -0.401 60.764 61.300 -0.226 0.000 1.185 347 I CB 1.256 39.129 38.000 -0.211 0.000 1.341 347 I HN 0.692 nan 8.210 nan 0.000 0.455 348 S N 6.640 122.301 115.700 -0.065 0.000 2.655 348 S HA 0.391 4.860 4.470 -0.001 0.000 0.265 348 S C 1.245 175.860 174.600 0.025 0.000 1.240 348 S CA -0.574 57.608 58.200 -0.031 0.000 0.986 348 S CB 1.526 64.711 63.200 -0.025 0.000 0.985 348 S HN 0.502 nan 8.310 nan 0.000 0.562 349 R N 1.233 121.741 120.500 0.013 0.000 2.083 349 R HA -0.089 4.251 4.340 -0.001 0.000 0.237 349 R C 2.239 178.615 176.300 0.128 0.000 1.137 349 R CA 1.828 57.958 56.100 0.050 0.000 0.951 349 R CB -1.049 29.266 30.300 0.026 0.000 0.851 349 R HN 0.827 nan 8.270 nan 0.000 0.434 350 E N 0.817 121.066 120.200 0.081 0.000 2.058 350 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 350 E C 1.571 178.225 176.600 0.090 0.000 0.997 350 E CA 1.187 57.635 56.400 0.080 0.000 0.801 350 E CB -0.493 29.236 29.700 0.047 0.000 0.746 350 E HN 0.332 nan 8.360 nan 0.000 0.450 351 D N 0.208 120.655 120.400 0.078 0.000 2.178 351 D HA -0.095 4.545 4.640 -0.001 0.000 0.202 351 D C 1.765 178.134 176.300 0.116 0.000 0.974 351 D CA 0.433 54.480 54.000 0.077 0.000 0.841 351 D CB -0.449 40.371 40.800 0.033 0.000 0.953 351 D HN 0.113 nan 8.370 nan 0.000 0.478 352 F N 1.399 121.358 119.950 0.015 0.000 2.046 352 F HA -0.199 4.327 4.527 -0.001 0.000 0.297 352 F C 2.367 178.192 175.800 0.042 0.000 1.123 352 F CA 1.512 59.529 58.000 0.029 0.000 1.199 352 F CB -0.292 38.703 39.000 -0.008 0.000 0.972 352 F HN -0.175 nan 8.300 nan 0.000 0.474 353 M N -0.514 119.190 119.600 0.173 0.000 2.279 353 M HA -0.191 4.289 4.480 -0.001 0.000 0.264 353 M C 2.102 178.390 176.300 -0.021 0.000 1.062 353 M CA 1.509 56.850 55.300 0.067 0.000 1.099 353 M CB -0.491 32.209 32.600 0.167 0.000 1.394 353 M HN 0.094 nan 8.290 nan 0.000 0.426 354 S N 0.327 116.030 115.700 0.005 0.000 2.453 354 S HA -0.023 4.447 4.470 -0.001 0.000 0.231 354 S C 1.951 176.527 174.600 -0.039 0.000 1.005 354 S CA 1.116 59.316 58.200 -0.001 0.000 0.949 354 S CB -0.428 62.789 63.200 0.029 0.000 0.774 354 S HN 0.690 nan 8.310 nan 0.000 0.510 355 G N 1.234 109.979 108.800 -0.092 0.000 2.394 355 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.215 355 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.215 355 G C 1.369 176.153 174.900 -0.194 0.000 1.165 355 G CA 0.652 45.673 45.100 -0.131 0.000 0.784 355 G HN 0.424 nan 8.290 nan 0.000 0.535 356 V N 0.845 120.586 119.914 -0.289 0.000 2.626 356 V HA -0.103 4.017 4.120 -0.001 0.000 0.252 356 V C 2.648 178.669 176.094 -0.122 0.000 1.067 356 V CA 2.049 64.217 62.300 -0.219 0.000 1.081 356 V CB -0.214 31.483 31.823 -0.209 0.000 0.686 356 V HN 0.318 nan 8.190 nan 0.000 0.468 357 K N 0.355 120.697 120.400 -0.097 0.000 2.057 357 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 357 K C 1.763 178.318 176.600 -0.075 0.000 1.050 357 K CA 1.445 57.686 56.287 -0.076 0.000 0.935 357 K CB -0.465 32.008 32.500 -0.045 0.000 0.715 357 K HN 0.262 nan 8.250 nan 0.000 0.439 358 L N 0.489 121.678 121.223 -0.057 0.000 2.156 358 L HA -0.010 4.330 4.340 -0.001 0.000 0.208 358 L C 2.009 178.858 176.870 -0.035 0.000 1.095 358 L CA 1.476 56.297 54.840 -0.032 0.000 0.770 358 L CB -0.543 41.506 42.059 -0.017 0.000 0.914 358 L HN 0.112 nan 8.230 nan 0.000 0.439 359 S N -1.750 113.910 115.700 -0.066 0.000 2.406 359 S HA 0.066 4.536 4.470 -0.001 0.000 0.224 359 S C 0.958 175.510 174.600 -0.079 0.000 1.030 359 S CA 0.344 58.506 58.200 -0.064 0.000 0.958 359 S CB 0.247 63.385 63.200 -0.103 0.000 0.811 359 S HN 0.117 nan 8.310 nan 0.000 0.489 360 V N 4.017 123.852 119.914 -0.131 0.000 2.294 360 V HA 0.203 4.322 4.120 -0.001 0.000 0.258 360 V C -1.602 174.350 176.094 -0.238 0.000 1.080 360 V CA -1.413 60.754 62.300 -0.222 0.000 1.128 360 V CB 0.722 32.393 31.823 -0.253 0.000 1.323 360 V HN 0.235 nan 8.190 nan 0.000 0.498 361 P HA -0.187 nan 4.420 nan 0.000 0.218 361 P C 0.867 177.776 177.300 -0.652 0.000 1.148 361 P CA 1.495 64.422 63.100 -0.288 0.000 0.822 361 P CB 0.017 31.664 31.700 -0.088 0.000 0.784 362 H N -1.056 117.716 119.070 -0.496 0.000 2.605 362 H HA 0.634 5.189 4.556 -0.001 0.000 0.308 362 H C -0.235 174.933 175.328 -0.267 0.000 1.080 362 H CA -0.709 55.066 56.048 -0.455 0.000 1.119 362 H CB -0.474 29.187 29.762 -0.169 0.000 1.479 362 H HN -0.025 nan 8.280 nan 0.000 0.537 363 A N 1.889 124.404 122.820 -0.508 0.000 2.331 363 A HA 0.376 4.696 4.320 -0.001 0.000 0.320 363 A C 0.047 177.496 177.584 -0.225 0.000 1.138 363 A CA -0.938 50.873 52.037 -0.377 0.000 0.790 363 A CB 1.269 20.040 19.000 -0.382 0.000 1.206 363 A HN 0.592 nan 8.150 nan 0.000 0.470 364 N N 1.263 119.868 118.700 -0.158 0.000 2.294 364 N HA 0.048 4.788 4.740 -0.001 0.000 0.248 364 N C -0.080 175.383 175.510 -0.078 0.000 1.300 364 N CA -0.143 52.847 53.050 -0.100 0.000 0.925 364 N CB 0.196 38.639 38.487 -0.073 0.000 1.188 364 N HN 0.462 nan 8.380 nan 0.000 0.512 365 D N -1.198 119.174 120.400 -0.047 0.000 2.309 365 D HA -0.074 4.566 4.640 -0.001 0.000 0.212 365 D C 1.464 177.757 176.300 -0.011 0.000 0.968 365 D CA 0.408 54.394 54.000 -0.024 0.000 0.882 365 D CB -0.071 40.723 40.800 -0.011 0.000 0.918 365 D HN 0.421 nan 8.370 nan 0.000 0.503 366 L N -0.038 121.172 121.223 -0.021 0.000 2.131 366 L HA 0.182 4.522 4.340 -0.001 0.000 0.206 366 L C 2.144 179.014 176.870 0.001 0.000 1.087 366 L CA 1.462 56.299 54.840 -0.005 0.000 0.767 366 L CB -0.838 41.211 42.059 -0.018 0.000 0.917 366 L HN 0.039 nan 8.230 nan 0.000 0.441 367 G N -0.410 108.364 108.800 -0.044 0.000 2.418 367 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 367 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 367 G C 1.600 176.503 174.900 0.005 0.000 1.158 367 G CA 0.935 46.002 45.100 -0.054 0.000 0.771 367 G HN 0.405 nan 8.290 nan 0.000 0.545 368 L N 0.443 121.658 121.223 -0.012 0.000 2.127 368 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 368 L C 2.350 179.271 176.870 0.085 0.000 1.089 368 L CA 1.096 55.948 54.840 0.020 0.000 0.757 368 L CB -0.287 41.770 42.059 -0.003 0.000 0.899 368 L HN 0.102 nan 8.230 nan 0.000 0.434 369 D N -0.121 120.331 120.400 0.088 0.000 2.137 369 D HA -0.072 4.568 4.640 -0.001 0.000 0.202 369 D C 2.260 178.655 176.300 0.158 0.000 0.970 369 D CA 1.275 55.349 54.000 0.124 0.000 0.837 369 D CB -0.052 40.803 40.800 0.092 0.000 0.981 369 D HN 0.251 nan 8.370 nan 0.000 0.475 370 A N 0.617 123.540 122.820 0.172 0.000 1.865 370 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 370 A C 2.474 180.180 177.584 0.203 0.000 1.191 370 A CA 1.598 53.791 52.037 0.260 0.000 0.623 370 A CB -0.970 18.278 19.000 0.414 0.000 0.826 370 A HN 0.128 nan 8.150 nan 0.000 0.444 371 V N -0.213 119.852 119.914 0.252 0.000 2.282 371 V HA -0.280 3.839 4.120 -0.001 0.000 0.249 371 V C 2.737 178.974 176.094 0.239 0.000 1.057 371 V CA 2.598 65.024 62.300 0.211 0.000 1.032 371 V CB -1.407 30.567 31.823 0.251 0.000 0.645 371 V HN 0.625 nan 8.190 nan 0.000 0.447 372 T N 0.283 114.987 114.554 0.251 0.000 2.746 372 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 372 T C 1.864 176.742 174.700 0.296 0.000 1.039 372 T CA 1.828 64.137 62.100 0.348 0.000 1.142 372 T CB -0.315 68.764 68.868 0.351 0.000 0.866 372 T HN 0.333 nan 8.240 nan 0.000 0.444 373 L N 1.319 122.699 121.223 0.261 0.000 2.056 373 L HA 0.009 4.349 4.340 -0.001 0.000 0.207 373 L C 2.377 179.303 176.870 0.092 0.000 1.078 373 L CA 1.830 56.843 54.840 0.289 0.000 0.749 373 L CB -0.869 41.302 42.059 0.186 0.000 0.901 373 L HN 0.099 nan 8.230 nan 0.000 0.433 374 Q N -1.451 118.280 119.800 -0.115 0.000 2.291 374 Q HA -0.158 4.181 4.340 -0.001 0.000 0.205 374 Q C 0.614 176.338 176.000 -0.461 0.000 0.970 374 Q CA 1.573 57.122 55.803 -0.424 0.000 0.876 374 Q CB -0.128 28.017 28.738 -0.988 0.000 0.935 374 Q HN 0.686 nan 8.270 nan 0.000 0.455 375 Y N -1.173 119.079 120.300 -0.080 0.000 2.696 375 Y HA 0.366 4.915 4.550 -0.001 0.000 0.260 375 Y C -0.516 175.323 175.900 -0.103 0.000 1.165 375 Y CA -0.296 57.803 58.100 -0.002 0.000 1.189 375 Y CB 1.110 39.670 38.460 0.167 0.000 1.180 375 Y HN -0.208 nan 8.280 nan 0.000 0.538 376 T N 0.175 114.619 114.554 -0.184 0.000 2.841 376 T HA 0.121 4.471 4.350 -0.001 0.000 0.285 376 T C -1.196 173.110 174.700 -0.656 0.000 0.991 376 T CA -0.716 61.027 62.100 -0.595 0.000 0.966 376 T CB 1.291 69.496 68.868 -1.104 0.000 0.962 376 T HN -0.002 nan 8.240 nan 0.000 0.438 377 D N 2.051 122.145 120.400 -0.511 0.000 2.468 377 D HA 0.152 4.792 4.640 -0.001 0.000 0.218 377 D C 0.238 176.335 176.300 -0.338 0.000 1.155 377 D CA -0.785 53.029 54.000 -0.311 0.000 0.924 377 D CB 0.224 40.919 40.800 -0.174 0.000 1.029 377 D HN 0.584 nan 8.370 nan 0.000 0.515 378 W N 2.915 124.175 121.300 -0.067 0.000 2.747 378 W HA -0.023 4.637 4.660 -0.001 0.000 0.244 378 W C 1.834 178.323 176.519 -0.049 0.000 1.270 378 W CA 0.028 57.337 57.345 -0.060 0.000 1.333 378 W CB -0.324 29.105 29.460 -0.052 0.000 1.139 378 W HN 0.416 nan 8.180 nan 0.000 0.662 379 M N -0.805 118.848 119.600 0.089 0.000 2.541 379 M HA 0.003 4.482 4.480 -0.001 0.000 0.252 379 M C 0.347 176.652 176.300 0.009 0.000 1.125 379 M CA 1.182 56.514 55.300 0.054 0.000 1.091 379 M CB 0.127 32.745 32.600 0.031 0.000 1.420 379 M HN -0.192 nan 8.290 nan 0.000 0.486 380 D N -0.151 120.226 120.400 -0.039 0.000 2.914 380 D HA -0.014 4.626 4.640 -0.001 0.000 0.349 380 D C 0.744 176.965 176.300 -0.132 0.000 1.540 380 D CA 0.097 54.057 54.000 -0.067 0.000 0.778 380 D CB 0.231 40.992 40.800 -0.065 0.000 1.213 380 D HN 0.209 nan 8.370 nan 0.000 0.451 381 D N -0.488 119.826 120.400 -0.144 0.000 2.239 381 D HA -0.215 4.424 4.640 -0.001 0.000 0.202 381 D C 0.560 176.732 176.300 -0.213 0.000 0.993 381 D CA 0.749 54.594 54.000 -0.258 0.000 0.874 381 D CB 0.063 40.777 40.800 -0.143 0.000 0.922 381 D HN 0.168 nan 8.370 nan 0.000 0.464 382 N N 0.322 118.950 118.700 -0.121 0.000 2.321 382 N HA 0.014 4.754 4.740 -0.001 0.000 0.242 382 N C -0.582 174.871 175.510 -0.094 0.000 1.141 382 N CA -0.181 52.810 53.050 -0.099 0.000 0.864 382 N CB -0.007 38.449 38.487 -0.053 0.000 1.100 382 N HN 0.387 nan 8.380 nan 0.000 0.510 383 N N -0.118 118.514 118.700 -0.114 0.000 2.439 383 N HA 0.088 4.828 4.740 -0.001 0.000 0.243 383 N C 1.417 176.868 175.510 -0.100 0.000 1.088 383 N CA -0.310 52.685 53.050 -0.091 0.000 0.940 383 N CB 0.701 39.137 38.487 -0.085 0.000 1.180 383 N HN 0.071 nan 8.380 nan 0.000 0.505 384 G N 3.624 112.371 108.800 -0.089 0.000 2.475 384 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.220 384 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.220 384 G C 1.255 176.098 174.900 -0.095 0.000 1.125 384 G CA 0.600 45.639 45.100 -0.101 0.000 0.755 384 G HN 0.675 nan 8.290 nan 0.000 0.565 385 I N -0.405 120.125 120.570 -0.066 0.000 2.617 385 I HA -0.021 4.149 4.170 -0.001 0.000 0.256 385 I C 2.654 178.765 176.117 -0.009 0.000 1.167 385 I CA 0.743 62.022 61.300 -0.035 0.000 1.469 385 I CB -0.043 37.952 38.000 -0.009 0.000 1.098 385 I HN 0.130 nan 8.210 nan 0.000 0.436 386 K N 0.545 120.923 120.400 -0.036 0.000 2.167 386 K HA -0.033 4.286 4.320 -0.001 0.000 0.203 386 K C 1.714 178.296 176.600 -0.030 0.000 1.052 386 K CA 0.777 57.044 56.287 -0.032 0.000 0.956 386 K CB 0.003 32.455 32.500 -0.080 0.000 0.735 386 K HN 0.260 nan 8.250 nan 0.000 0.451 387 N N 0.970 119.625 118.700 -0.075 0.000 2.270 387 N HA -0.140 4.600 4.740 -0.001 0.000 0.181 387 N C 1.688 177.328 175.510 0.217 0.000 1.016 387 N CA 0.741 53.779 53.050 -0.020 0.000 0.870 387 N CB -0.063 38.371 38.487 -0.089 0.000 0.979 387 N HN 0.184 nan 8.380 nan 0.000 0.431 388 R N 1.365 121.912 120.500 0.079 0.000 2.057 388 R HA -0.067 4.272 4.340 -0.001 0.000 0.229 388 R C 0.523 176.957 176.300 0.223 0.000 1.136 388 R CA 1.285 57.436 56.100 0.085 0.000 0.952 388 R CB -0.113 30.128 30.300 -0.099 0.000 0.848 388 R HN 0.045 nan 8.270 nan 0.000 0.430 389 D N -0.462 120.046 120.400 0.180 0.000 2.264 389 D HA -0.054 4.585 4.640 -0.001 0.000 0.208 389 D C 1.622 178.061 176.300 0.231 0.000 0.966 389 D CA 1.212 55.339 54.000 0.211 0.000 0.864 389 D CB -0.240 40.660 40.800 0.167 0.000 0.933 389 D HN 0.513 nan 8.370 nan 0.000 0.499 390 G N 0.557 109.509 108.800 0.254 0.000 2.394 390 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.215 390 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.215 390 G C 1.554 176.603 174.900 0.249 0.000 1.165 390 G CA 0.042 45.337 45.100 0.325 0.000 0.784 390 G HN 0.156 nan 8.290 nan 0.000 0.535 391 L N 1.198 122.594 121.223 0.288 0.000 2.017 391 L HA -0.031 4.309 4.340 -0.001 0.000 0.208 391 L C 2.337 179.255 176.870 0.081 0.000 1.073 391 L CA 1.826 56.725 54.840 0.098 0.000 0.745 391 L CB -0.611 41.577 42.059 0.216 0.000 0.894 391 L HN 0.201 nan 8.230 nan 0.000 0.432 392 D N -0.696 119.821 120.400 0.196 0.000 2.123 392 D HA -0.224 4.416 4.640 -0.001 0.000 0.196 392 D C 1.561 177.940 176.300 0.132 0.000 0.992 392 D CA 1.370 55.488 54.000 0.196 0.000 0.833 392 D CB 0.165 41.138 40.800 0.289 0.000 0.954 392 D HN 0.355 nan 8.370 nan 0.000 0.455 393 D N 0.144 120.623 120.400 0.132 0.000 2.097 393 D HA -0.081 4.559 4.640 -0.001 0.000 0.197 393 D C 2.382 178.665 176.300 -0.029 0.000 0.984 393 D CA 0.346 54.426 54.000 0.133 0.000 0.826 393 D CB -0.288 40.684 40.800 0.286 0.000 0.973 393 D HN 0.354 nan 8.370 nan 0.000 0.460 394 I N 0.773 121.171 120.570 -0.287 0.000 2.118 394 I HA -0.285 3.884 4.170 -0.001 0.000 0.241 394 I C 2.450 178.418 176.117 -0.249 0.000 1.070 394 I CA 0.880 61.936 61.300 -0.407 0.000 1.327 394 I CB -0.348 37.402 38.000 -0.417 0.000 1.034 394 I HN -0.091 nan 8.210 nan 0.000 0.405 395 V N 1.011 120.831 119.914 -0.157 0.000 2.332 395 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 395 V C 2.523 178.508 176.094 -0.182 0.000 1.055 395 V CA 2.238 64.458 62.300 -0.133 0.000 1.038 395 V CB -1.584 30.227 31.823 -0.022 0.000 0.651 395 V HN 0.608 nan 8.190 nan 0.000 0.450 396 G N -0.507 108.245 108.800 -0.080 0.000 2.394 396 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.214 396 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.214 396 G C 1.219 176.042 174.900 -0.128 0.000 1.176 396 G CA 0.836 45.903 45.100 -0.055 0.000 0.786 396 G HN 0.485 nan 8.290 nan 0.000 0.533 397 D N 0.016 120.350 120.400 -0.109 0.000 2.092 397 D HA -0.122 4.518 4.640 -0.001 0.000 0.193 397 D C 2.096 178.111 176.300 -0.476 0.000 0.994 397 D CA 1.397 55.313 54.000 -0.141 0.000 0.828 397 D CB -0.489 40.367 40.800 0.093 0.000 0.963 397 D HN 0.440 nan 8.370 nan 0.000 0.450 398 H N 0.497 118.976 119.070 -0.984 0.000 2.423 398 H HA 0.047 4.603 4.556 -0.001 0.000 0.297 398 H C 1.404 176.356 175.328 -0.627 0.000 1.075 398 H CA 1.541 56.882 56.048 -1.179 0.000 1.342 398 H CB 0.104 28.965 29.762 -1.502 0.000 1.395 398 H HN 0.014 nan 8.280 nan 0.000 0.530 399 N N -0.875 117.367 118.700 -0.764 0.000 2.415 399 N HA 0.021 4.761 4.740 -0.001 0.000 0.174 399 N C 1.016 176.285 175.510 -0.402 0.000 1.048 399 N CA 1.015 53.578 53.050 -0.810 0.000 0.895 399 N CB 1.231 38.847 38.487 -1.451 0.000 1.036 399 N HN 0.275 nan 8.380 nan 0.000 0.449 400 V N 0.240 119.997 119.914 -0.262 0.000 3.102 400 V HA 0.173 4.293 4.120 -0.001 0.000 0.225 400 V C 1.984 178.062 176.094 -0.027 0.000 1.301 400 V CA 0.006 62.277 62.300 -0.049 0.000 1.308 400 V CB 0.298 32.158 31.823 0.062 0.000 1.129 400 V HN -0.062 nan 8.190 nan 0.000 0.502 401 I N 1.146 121.708 120.570 -0.015 0.000 2.133 401 I HA -0.219 3.951 4.170 -0.001 0.000 0.238 401 I C 2.884 179.016 176.117 0.025 0.000 1.074 401 I CA 2.004 63.323 61.300 0.032 0.000 1.342 401 I CB -0.571 37.484 38.000 0.091 0.000 1.053 401 I HN 0.572 nan 8.210 nan 0.000 0.404 402 C N 1.768 121.078 119.300 0.017 0.000 2.419 402 C HA -0.026 4.433 4.460 -0.001 0.000 0.281 402 C C 0.507 175.535 174.990 0.063 0.000 1.336 402 C CA 1.216 60.288 59.018 0.089 0.000 1.770 402 C CB -1.943 25.904 27.740 0.177 0.000 1.929 402 C HN 0.296 nan 8.230 nan 0.000 0.509 403 P HA -0.008 nan 4.420 nan 0.000 0.219 403 P C 1.761 179.086 177.300 0.042 0.000 1.154 403 P CA 0.617 63.697 63.100 -0.034 0.000 0.826 403 P CB -0.098 31.493 31.700 -0.181 0.000 0.795 404 L N -1.664 119.570 121.223 0.018 0.000 2.109 404 L HA -0.069 4.271 4.340 -0.001 0.000 0.207 404 L C 2.050 178.967 176.870 0.079 0.000 1.086 404 L CA 1.491 56.359 54.840 0.046 0.000 0.760 404 L CB -0.545 41.517 42.059 0.004 0.000 0.910 404 L HN -0.118 nan 8.230 nan 0.000 0.437 405 M N -1.290 118.347 119.600 0.060 0.000 2.296 405 M HA -0.192 4.287 4.480 -0.001 0.000 0.265 405 M C 2.160 178.525 176.300 0.109 0.000 1.064 405 M CA 1.439 56.769 55.300 0.049 0.000 1.109 405 M CB -1.340 31.302 32.600 0.069 0.000 1.396 405 M HN 0.407 nan 8.290 nan 0.000 0.430 406 H N -0.510 118.602 119.070 0.069 0.000 2.436 406 H HA -0.106 4.450 4.556 -0.001 0.000 0.294 406 H C 1.744 177.130 175.328 0.098 0.000 1.048 406 H CA 1.446 57.543 56.048 0.083 0.000 1.353 406 H CB -0.102 29.704 29.762 0.072 0.000 1.414 406 H HN 0.220 nan 8.280 nan 0.000 0.536 407 F N 0.019 119.919 119.950 -0.083 0.000 2.098 407 F HA -0.108 4.419 4.527 -0.001 0.000 0.294 407 F C 2.457 178.186 175.800 -0.118 0.000 1.107 407 F CA 1.393 59.307 58.000 -0.143 0.000 1.234 407 F CB -1.024 37.899 39.000 -0.129 0.000 1.002 407 F HN 0.100 nan 8.300 nan 0.000 0.472 408 V N 1.236 121.031 119.914 -0.198 0.000 2.392 408 V HA -0.295 3.825 4.120 -0.001 0.000 0.249 408 V C 2.195 178.169 176.094 -0.199 0.000 1.059 408 V CA 2.606 64.703 62.300 -0.338 0.000 1.051 408 V CB -0.667 30.906 31.823 -0.416 0.000 0.658 408 V HN 0.454 nan 8.190 nan 0.000 0.455 409 N N -0.057 118.596 118.700 -0.078 0.000 2.171 409 N HA -0.091 4.649 4.740 -0.001 0.000 0.184 409 N C 1.832 177.346 175.510 0.007 0.000 1.021 409 N CA 1.222 54.318 53.050 0.076 0.000 0.854 409 N CB -0.266 38.281 38.487 0.101 0.000 0.994 409 N HN 0.430 nan 8.380 nan 0.000 0.426 410 K N 0.528 120.848 120.400 -0.133 0.000 2.057 410 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 410 K C 1.978 178.594 176.600 0.026 0.000 1.049 410 K CA 0.730 56.972 56.287 -0.074 0.000 0.931 410 K CB -0.775 31.605 32.500 -0.199 0.000 0.714 410 K HN 0.300 nan 8.250 nan 0.000 0.440 411 Y N 2.261 122.355 120.300 -0.343 0.000 2.089 411 Y HA -0.236 4.313 4.550 -0.000 0.000 0.282 411 Y C 2.330 178.262 175.900 0.054 0.000 1.139 411 Y CA 2.133 60.041 58.100 -0.319 0.000 1.123 411 Y CB -0.620 37.347 38.460 -0.821 0.000 0.980 411 Y HN 0.027 nan 8.280 nan 0.000 0.493 412 T N 0.749 115.417 114.554 0.190 0.000 2.836 412 T HA -0.296 4.053 4.350 -0.001 0.000 0.268 412 T C 1.812 176.568 174.700 0.093 0.000 1.080 412 T CA 1.846 64.074 62.100 0.212 0.000 1.128 412 T CB -0.347 68.736 68.868 0.359 0.000 0.839 412 T HN 0.325 nan 8.240 nan 0.000 0.507 413 K N -0.335 120.113 120.400 0.080 0.000 2.283 413 K HA -0.025 4.295 4.320 -0.001 0.000 0.202 413 K C 0.684 177.109 176.600 -0.292 0.000 1.048 413 K CA 1.097 57.324 56.287 -0.100 0.000 0.948 413 K CB 0.023 32.446 32.500 -0.128 0.000 0.742 413 K HN 0.386 nan 8.250 nan 0.000 0.458 414 F N -0.854 119.022 119.950 -0.123 0.000 2.798 414 F HA 0.319 4.845 4.527 -0.001 0.000 0.328 414 F C 1.037 176.695 175.800 -0.237 0.000 1.098 414 F CA -0.516 57.371 58.000 -0.188 0.000 1.172 414 F CB 0.359 39.182 39.000 -0.295 0.000 1.072 414 F HN -0.101 nan 8.300 nan 0.000 0.555 415 G N 0.075 108.806 108.800 -0.115 0.000 2.588 415 G HA2 0.067 4.027 3.960 -0.001 0.000 0.281 415 G HA3 0.067 4.027 3.960 -0.001 0.000 0.281 415 G C 0.204 175.150 174.900 0.077 0.000 1.236 415 G CA -0.419 44.633 45.100 -0.081 0.000 0.969 415 G HN 0.260 nan 8.290 nan 0.000 0.504 416 N N -0.351 118.442 118.700 0.156 0.000 2.338 416 N HA 0.320 5.059 4.740 -0.001 0.000 0.251 416 N C 0.163 175.756 175.510 0.138 0.000 1.199 416 N CA 0.365 53.484 53.050 0.115 0.000 0.879 416 N CB 0.296 38.841 38.487 0.096 0.000 1.159 416 N HN 0.895 nan 8.380 nan 0.000 0.514 417 G N 0.504 109.400 108.800 0.160 0.000 2.220 417 G HA2 0.018 3.978 3.960 -0.001 0.000 0.232 417 G HA3 0.018 3.978 3.960 -0.001 0.000 0.232 417 G C -1.330 173.619 174.900 0.081 0.000 1.680 417 G CA -0.741 44.416 45.100 0.096 0.000 0.922 417 G HN 0.033 nan 8.290 nan 0.000 0.723 418 T N 1.521 115.993 114.554 -0.137 0.000 2.881 418 T HA 0.663 5.012 4.350 -0.001 0.000 0.290 418 T C -1.344 173.101 174.700 -0.425 0.000 1.000 418 T CA -0.362 61.661 62.100 -0.127 0.000 0.978 418 T CB 1.332 70.224 68.868 0.040 0.000 0.997 418 T HN 0.441 nan 8.240 nan 0.000 0.443 419 Y N 2.236 122.435 120.300 -0.168 0.000 2.326 419 Y HA 0.642 5.191 4.550 -0.001 0.000 0.329 419 Y C -0.551 175.352 175.900 0.004 0.000 0.973 419 Y CA -1.102 56.840 58.100 -0.263 0.000 1.162 419 Y CB 1.442 39.333 38.460 -0.949 0.000 1.147 419 Y HN 0.411 nan 8.280 nan 0.000 0.456 420 L N 6.034 127.553 121.223 0.494 0.000 2.329 420 L HA 0.606 4.945 4.340 -0.001 0.000 0.279 420 L C -1.099 176.210 176.870 0.732 0.000 1.014 420 L CA -1.113 53.979 54.840 0.419 0.000 0.814 420 L CB 0.630 42.762 42.059 0.122 0.000 1.257 420 L HN 0.533 nan 8.230 nan 0.000 0.424 421 Y N 3.274 123.897 120.300 0.538 0.000 2.633 421 Y HA 0.774 5.324 4.550 -0.001 0.000 0.339 421 Y C -1.711 174.491 175.900 0.505 0.000 1.045 421 Y CA -2.023 56.355 58.100 0.463 0.000 1.098 421 Y CB 1.339 40.020 38.460 0.369 0.000 1.296 421 Y HN 0.502 nan 8.280 nan 0.000 0.494 422 F N 3.197 123.500 119.950 0.588 0.000 2.828 422 F HA 0.415 4.941 4.527 -0.001 0.000 0.355 422 F C -2.012 174.102 175.800 0.523 0.000 1.200 422 F CA -1.777 56.487 58.000 0.440 0.000 1.062 422 F CB 0.726 40.001 39.000 0.457 0.000 1.351 422 F HN 0.549 nan 8.300 nan 0.000 0.504 423 F N 7.822 127.852 119.950 0.135 0.000 2.438 423 F HA 0.295 4.822 4.527 -0.001 0.000 0.360 423 F C 0.326 175.989 175.800 -0.228 0.000 1.118 423 F CA -0.175 57.839 58.000 0.023 0.000 1.164 423 F CB 0.484 39.559 39.000 0.125 0.000 1.131 423 F HN 0.523 nan 8.300 nan 0.000 0.527 424 N N 4.028 122.407 118.700 -0.533 0.000 2.610 424 N HA 0.090 4.829 4.740 -0.001 0.000 0.307 424 N C -1.436 173.859 175.510 -0.358 0.000 1.813 424 N CA -0.488 52.336 53.050 -0.376 0.000 0.901 424 N CB -0.342 38.068 38.487 -0.129 0.000 1.354 424 N HN 0.642 nan 8.380 nan 0.000 0.491 425 H N 0.089 118.676 119.070 -0.805 0.000 2.589 425 H HA 0.431 4.987 4.556 -0.001 0.000 0.335 425 H C -0.829 174.360 175.328 -0.231 0.000 1.019 425 H CA -0.597 55.135 56.048 -0.527 0.000 1.213 425 H CB 1.262 30.619 29.762 -0.676 0.000 1.472 425 H HN 0.162 nan 8.280 nan 0.000 0.508 426 R N 4.164 124.290 120.500 -0.624 0.000 2.216 426 R HA 0.542 4.882 4.340 -0.001 0.000 0.332 426 R C -0.432 175.605 176.300 -0.439 0.000 1.056 426 R CA -0.460 55.440 56.100 -0.334 0.000 0.901 426 R CB 0.319 30.511 30.300 -0.180 0.000 1.039 426 R HN 0.788 nan 8.270 nan 0.000 0.456 427 A N 2.914 125.754 122.820 0.033 0.000 2.520 427 A HA -0.003 4.316 4.320 -0.001 0.000 0.235 427 A C 1.275 178.925 177.584 0.110 0.000 1.065 427 A CA 0.492 52.715 52.037 0.309 0.000 0.764 427 A CB 0.335 19.669 19.000 0.556 0.000 1.002 427 A HN 1.009 nan 8.150 nan 0.000 0.502 428 S N 1.019 116.807 115.700 0.147 0.000 2.453 428 S HA -0.149 4.320 4.470 -0.001 0.000 0.231 428 S C 0.906 175.478 174.600 -0.047 0.000 1.005 428 S CA 1.042 59.266 58.200 0.040 0.000 0.949 428 S CB -0.480 62.762 63.200 0.071 0.000 0.774 428 S HN 0.916 nan 8.310 nan 0.000 0.510 429 N N 0.996 119.621 118.700 -0.126 0.000 2.268 429 N HA 0.224 4.964 4.740 -0.001 0.000 0.204 429 N C -0.028 175.392 175.510 -0.151 0.000 1.124 429 N CA -0.265 52.664 53.050 -0.202 0.000 0.838 429 N CB -0.588 37.657 38.487 -0.403 0.000 0.994 429 N HN 0.386 nan 8.380 nan 0.000 0.489 430 L N 1.096 122.272 121.223 -0.078 0.000 2.490 430 L HA 0.006 4.345 4.340 -0.001 0.000 0.274 430 L C 1.381 178.179 176.870 -0.120 0.000 1.201 430 L CA -0.337 54.462 54.840 -0.070 0.000 0.869 430 L CB 0.995 43.024 42.059 -0.050 0.000 1.123 430 L HN 0.152 nan 8.230 nan 0.000 0.484 431 V N -0.941 118.842 119.914 -0.217 0.000 3.608 431 V HA 0.052 4.172 4.120 -0.001 0.000 0.269 431 V C 0.448 176.422 176.094 -0.200 0.000 1.245 431 V CA -0.466 61.661 62.300 -0.287 0.000 1.138 431 V CB -0.889 30.604 31.823 -0.550 0.000 0.841 431 V HN 0.578 nan 8.190 nan 0.000 0.451 432 W N 1.793 123.029 121.300 -0.106 0.000 2.215 432 W HA 0.543 5.203 4.660 -0.000 0.000 0.342 432 W C -1.653 174.725 176.519 -0.235 0.000 1.237 432 W CA -2.136 55.117 57.345 -0.154 0.000 1.283 432 W CB -0.190 29.076 29.460 -0.323 0.000 1.131 432 W HN -0.041 nan 8.180 nan 0.000 0.606 433 P HA -0.068 nan 4.420 nan 0.000 0.271 433 P C 0.361 177.521 177.300 -0.234 0.000 1.233 433 P CA 0.329 63.340 63.100 -0.148 0.000 0.789 433 P CB 0.961 32.560 31.700 -0.167 0.000 0.951 434 E N 0.858 121.003 120.200 -0.092 0.000 2.072 434 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 434 E C 1.900 178.486 176.600 -0.024 0.000 0.985 434 E CA 1.300 57.676 56.400 -0.040 0.000 0.801 434 E CB -0.617 29.108 29.700 0.042 0.000 0.750 434 E HN 0.714 nan 8.360 nan 0.000 0.452 435 W N 0.358 121.688 121.300 0.050 0.000 2.480 435 W HA -0.072 4.588 4.660 -0.001 0.000 0.257 435 W C 1.360 177.925 176.519 0.077 0.000 1.235 435 W CA 0.424 57.808 57.345 0.064 0.000 1.218 435 W CB -0.808 28.694 29.460 0.069 0.000 1.131 435 W HN -0.002 nan 8.180 nan 0.000 0.606 436 M N 1.003 120.258 119.600 -0.575 0.000 2.447 436 M HA 0.149 4.629 4.480 -0.001 0.000 0.264 436 M C 1.791 177.981 176.300 -0.183 0.000 1.095 436 M CA 1.449 56.406 55.300 -0.571 0.000 1.125 436 M CB -0.579 31.482 32.600 -0.898 0.000 1.389 436 M HN 0.129 nan 8.290 nan 0.000 0.459 437 G N 0.719 109.451 108.800 -0.113 0.000 2.574 437 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.286 437 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.286 437 G C -0.133 174.747 174.900 -0.033 0.000 1.212 437 G CA -0.225 44.856 45.100 -0.032 0.000 0.979 437 G HN 0.210 nan 8.290 nan 0.000 0.557 438 V N 2.219 122.146 119.914 0.022 0.000 2.229 438 V HA 0.298 4.418 4.120 -0.001 0.000 0.245 438 V C 1.316 177.499 176.094 0.148 0.000 1.243 438 V CA 0.109 62.458 62.300 0.082 0.000 1.176 438 V CB -0.712 31.153 31.823 0.070 0.000 1.323 438 V HN 0.511 nan 8.190 nan 0.000 0.499 439 I N 2.603 123.235 120.570 0.103 0.000 2.872 439 I HA -0.013 4.157 4.170 -0.001 0.000 0.291 439 I C 1.085 177.437 176.117 0.392 0.000 1.216 439 I CA -0.104 61.294 61.300 0.163 0.000 1.424 439 I CB 0.038 37.998 38.000 -0.067 0.000 1.351 439 I HN 0.558 nan 8.210 nan 0.000 0.592 440 H N 4.412 123.645 119.070 0.271 0.000 3.064 440 H HA 0.109 4.665 4.556 -0.001 0.000 0.329 440 H C 1.137 176.570 175.328 0.175 0.000 1.020 440 H CA 1.006 57.175 56.048 0.202 0.000 1.402 440 H CB 0.359 30.193 29.762 0.121 0.000 1.379 440 H HN 0.750 nan 8.280 nan 0.000 0.594 441 G N 3.447 112.062 108.800 -0.308 0.000 2.284 441 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.261 441 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.261 441 G C 0.828 175.729 174.900 0.001 0.000 0.997 441 G CA 0.704 45.641 45.100 -0.272 0.000 0.621 441 G HN 0.678 nan 8.290 nan 0.000 0.534 442 Y N 1.787 122.202 120.300 0.191 0.000 2.519 442 Y HA 0.178 4.727 4.550 -0.001 0.000 0.311 442 Y C 2.393 178.428 175.900 0.225 0.000 1.207 442 Y CA 1.232 59.513 58.100 0.302 0.000 1.289 442 Y CB 0.284 38.958 38.460 0.357 0.000 1.059 442 Y HN 0.564 nan 8.280 nan 0.000 0.507 443 E N -0.356 119.868 120.200 0.040 0.000 2.447 443 E HA -0.043 4.307 4.350 -0.001 0.000 0.195 443 E C 1.637 178.188 176.600 -0.080 0.000 1.028 443 E CA 0.504 56.641 56.400 -0.438 0.000 0.876 443 E CB -0.473 28.726 29.700 -0.836 0.000 0.885 443 E HN 0.524 nan 8.360 nan 0.000 0.500 444 I N 2.649 123.268 120.570 0.082 0.000 2.179 444 I HA -0.300 3.869 4.170 -0.001 0.000 0.242 444 I C 2.576 178.760 176.117 0.111 0.000 1.088 444 I CA 1.997 63.384 61.300 0.145 0.000 1.357 444 I CB -0.398 37.718 38.000 0.193 0.000 1.051 444 I HN 0.185 nan 8.210 nan 0.000 0.409 445 E N 0.944 121.173 120.200 0.048 0.000 2.171 445 E HA -0.255 4.095 4.350 -0.001 0.000 0.197 445 E C 2.022 178.492 176.600 -0.216 0.000 0.997 445 E CA 1.597 57.934 56.400 -0.106 0.000 0.810 445 E CB -0.588 29.027 29.700 -0.142 0.000 0.738 445 E HN 0.443 nan 8.360 nan 0.000 0.467 446 F N 1.106 120.964 119.950 -0.154 0.000 2.293 446 F HA -0.034 4.493 4.527 -0.001 0.000 0.297 446 F C 2.384 178.033 175.800 -0.251 0.000 1.089 446 F CA 0.512 58.386 58.000 -0.210 0.000 1.377 446 F CB -0.250 38.650 39.000 -0.168 0.000 1.051 446 F HN -0.141 nan 8.300 nan 0.000 0.511 447 V N -0.941 118.936 119.914 -0.062 0.000 2.358 447 V HA -0.264 3.856 4.120 -0.001 0.000 0.246 447 V C 1.740 177.718 176.094 -0.194 0.000 1.047 447 V CA 1.590 63.748 62.300 -0.237 0.000 1.035 447 V CB -0.639 31.106 31.823 -0.130 0.000 0.658 447 V HN 0.188 nan 8.190 nan 0.000 0.452 448 F N 0.662 120.507 119.950 -0.175 0.000 2.797 448 F HA 0.382 4.909 4.527 -0.001 0.000 0.302 448 F C 1.844 177.556 175.800 -0.147 0.000 1.130 448 F CA 0.499 58.415 58.000 -0.139 0.000 1.387 448 F CB -0.586 38.323 39.000 -0.152 0.000 1.107 448 F HN 0.269 nan 8.300 nan 0.000 0.577 449 G N 0.390 109.122 108.800 -0.114 0.000 2.225 449 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.267 449 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.267 449 G C 1.129 175.756 174.900 -0.455 0.000 1.024 449 G CA 0.358 45.315 45.100 -0.238 0.000 0.784 449 G HN 0.268 nan 8.290 nan 0.000 0.507 450 L N -0.393 120.520 121.223 -0.516 0.000 2.187 450 L HA -0.056 4.284 4.340 -0.001 0.000 0.213 450 L C 0.419 176.890 176.870 -0.665 0.000 1.100 450 L CA 2.438 56.900 54.840 -0.630 0.000 0.765 450 L CB -1.911 39.900 42.059 -0.413 0.000 0.904 450 L HN 0.216 nan 8.230 nan 0.000 0.437 451 P HA -0.142 nan 4.420 nan 0.000 0.219 451 P C 2.068 179.152 177.300 -0.360 0.000 1.146 451 P CA 0.944 63.512 63.100 -0.886 0.000 0.808 451 P CB 0.067 31.213 31.700 -0.924 0.000 0.779 452 L N -1.234 119.783 121.223 -0.344 0.000 2.191 452 L HA -0.050 4.290 4.340 -0.001 0.000 0.212 452 L C 1.277 178.046 176.870 -0.170 0.000 1.103 452 L CA 0.637 55.352 54.840 -0.207 0.000 0.769 452 L CB -0.877 41.079 42.059 -0.171 0.000 0.908 452 L HN -0.055 nan 8.230 nan 0.000 0.438 453 V N 0.807 120.574 119.914 -0.245 0.000 2.372 453 V HA 0.091 4.211 4.120 -0.001 0.000 0.261 453 V C 1.415 177.471 176.094 -0.064 0.000 1.055 453 V CA -0.709 61.503 62.300 -0.145 0.000 0.930 453 V CB 0.813 32.525 31.823 -0.185 0.000 1.031 453 V HN 0.190 nan 8.190 nan 0.000 0.479 454 K N 5.026 125.404 120.400 -0.037 0.000 2.030 454 K HA -0.231 4.089 4.320 -0.001 0.000 0.222 454 K C 1.824 178.414 176.600 -0.016 0.000 1.056 454 K CA 2.301 58.578 56.287 -0.016 0.000 0.957 454 K CB -0.640 31.849 32.500 -0.018 0.000 0.727 454 K HN 0.974 nan 8.250 nan 0.000 0.452 455 E N 1.409 121.593 120.200 -0.026 0.000 2.339 455 E HA -0.197 4.153 4.350 -0.001 0.000 0.201 455 E C 1.971 178.541 176.600 -0.050 0.000 1.015 455 E CA 1.010 57.389 56.400 -0.036 0.000 0.841 455 E CB -0.667 29.014 29.700 -0.032 0.000 0.754 455 E HN 0.416 nan 8.360 nan 0.000 0.508 456 L N 0.291 121.492 121.223 -0.036 0.000 2.554 456 L HA 0.025 4.365 4.340 -0.001 0.000 0.226 456 L C -0.097 176.673 176.870 -0.168 0.000 1.137 456 L CA 0.072 54.876 54.840 -0.061 0.000 0.863 456 L CB -0.450 41.638 42.059 0.048 0.000 0.985 456 L HN -0.015 nan 8.230 nan 0.000 0.451 457 N N -1.082 117.555 118.700 -0.104 0.000 2.814 457 N HA -0.204 4.536 4.740 -0.001 0.000 0.247 457 N C -0.838 174.545 175.510 -0.211 0.000 1.089 457 N CA 0.737 53.699 53.050 -0.146 0.000 0.682 457 N CB -1.779 36.601 38.487 -0.178 0.000 0.970 457 N HN 0.271 nan 8.380 nan 0.000 0.554 458 Y N 0.155 120.414 120.300 -0.068 0.000 2.432 458 Y HA 0.423 4.973 4.550 -0.001 0.000 0.322 458 Y C 1.761 177.651 175.900 -0.017 0.000 1.246 458 Y CA -0.212 57.860 58.100 -0.046 0.000 1.268 458 Y CB 0.807 39.207 38.460 -0.099 0.000 1.276 458 Y HN 0.123 nan 8.280 nan 0.000 0.499 459 T N -1.802 112.868 114.554 0.195 0.000 2.816 459 T HA 0.427 4.776 4.350 -0.001 0.000 0.282 459 T C 1.193 175.950 174.700 0.095 0.000 0.993 459 T CA -0.221 61.949 62.100 0.117 0.000 0.994 459 T CB 1.213 70.150 68.868 0.116 0.000 1.025 459 T HN 0.772 nan 8.240 nan 0.000 0.529 460 A N 1.152 124.006 122.820 0.057 0.000 1.902 460 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 460 A C 2.326 179.928 177.584 0.030 0.000 1.181 460 A CA 1.524 53.581 52.037 0.033 0.000 0.623 460 A CB -0.821 18.191 19.000 0.021 0.000 0.818 460 A HN 0.958 nan 8.150 nan 0.000 0.443 461 E N 0.567 120.788 120.200 0.036 0.000 2.204 461 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 461 E C 1.502 178.115 176.600 0.022 0.000 0.989 461 E CA 1.241 57.650 56.400 0.015 0.000 0.824 461 E CB -0.580 29.122 29.700 0.003 0.000 0.756 461 E HN 0.794 nan 8.360 nan 0.000 0.477 462 E N 1.255 121.508 120.200 0.089 0.000 2.072 462 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 462 E C 2.150 178.807 176.600 0.094 0.000 0.985 462 E CA 1.252 57.765 56.400 0.188 0.000 0.801 462 E CB -0.127 29.778 29.700 0.341 0.000 0.750 462 E HN 0.495 nan 8.360 nan 0.000 0.452 463 E N 1.312 121.516 120.200 0.006 0.000 2.153 463 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 463 E C 1.973 178.552 176.600 -0.035 0.000 0.988 463 E CA 1.128 57.488 56.400 -0.067 0.000 0.811 463 E CB -0.076 29.591 29.700 -0.056 0.000 0.746 463 E HN 0.191 nan 8.360 nan 0.000 0.466 464 A N 1.203 124.016 122.820 -0.011 0.000 1.873 464 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 464 A C 2.214 179.789 177.584 -0.015 0.000 1.186 464 A CA 1.314 53.337 52.037 -0.022 0.000 0.616 464 A CB -0.756 18.231 19.000 -0.022 0.000 0.823 464 A HN 0.404 nan 8.150 nan 0.000 0.442 465 L N -0.132 121.103 121.223 0.020 0.000 2.079 465 L HA -0.122 4.218 4.340 -0.001 0.000 0.210 465 L C 2.556 179.484 176.870 0.095 0.000 1.081 465 L CA 2.554 57.417 54.840 0.039 0.000 0.752 465 L CB -0.658 41.417 42.059 0.027 0.000 0.896 465 L HN 0.342 nan 8.230 nan 0.000 0.433 466 S N -0.884 114.906 115.700 0.150 0.000 2.382 466 S HA -0.171 4.298 4.470 -0.001 0.000 0.228 466 S C 2.178 176.756 174.600 -0.038 0.000 1.027 466 S CA 1.218 59.465 58.200 0.078 0.000 0.991 466 S CB -0.202 62.938 63.200 -0.100 0.000 0.823 466 S HN 0.542 nan 8.310 nan 0.000 0.469 467 R N 0.178 120.647 120.500 -0.052 0.000 2.090 467 R HA 0.115 4.455 4.340 -0.001 0.000 0.228 467 R C 2.739 178.986 176.300 -0.088 0.000 1.110 467 R CA 1.107 57.166 56.100 -0.068 0.000 0.973 467 R CB -0.204 30.052 30.300 -0.073 0.000 0.869 467 R HN 0.354 nan 8.270 nan 0.000 0.440 468 R N 0.504 120.932 120.500 -0.120 0.000 2.083 468 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 468 R C 2.292 178.423 176.300 -0.282 0.000 1.137 468 R CA 1.542 57.488 56.100 -0.257 0.000 0.951 468 R CB -0.371 29.802 30.300 -0.213 0.000 0.851 468 R HN 0.207 nan 8.270 nan 0.000 0.434 469 I N 0.552 121.069 120.570 -0.089 0.000 2.179 469 I HA -0.312 3.858 4.170 -0.001 0.000 0.242 469 I C 2.410 178.465 176.117 -0.105 0.000 1.088 469 I CA 1.412 62.673 61.300 -0.065 0.000 1.357 469 I CB -0.203 37.617 38.000 -0.299 0.000 1.051 469 I HN 0.234 nan 8.210 nan 0.000 0.409 470 M N -0.690 118.841 119.600 -0.116 0.000 2.213 470 M HA -0.242 4.237 4.480 -0.001 0.000 0.263 470 M C 2.265 178.607 176.300 0.071 0.000 1.062 470 M CA 1.654 56.914 55.300 -0.068 0.000 1.105 470 M CB -0.754 31.805 32.600 -0.069 0.000 1.385 470 M HN 0.273 nan 8.290 nan 0.000 0.417 471 H N -0.589 118.462 119.070 -0.032 0.000 2.470 471 H HA -0.077 4.479 4.556 -0.000 0.000 0.289 471 H C 1.437 176.850 175.328 0.142 0.000 1.033 471 H CA 1.525 57.568 56.048 -0.009 0.000 1.331 471 H CB 0.210 29.903 29.762 -0.114 0.000 1.414 471 H HN 0.245 nan 8.280 nan 0.000 0.545 472 Y N -1.092 119.376 120.300 0.279 0.000 2.153 472 Y HA -0.167 4.383 4.550 -0.001 0.000 0.289 472 Y C 2.348 178.490 175.900 0.403 0.000 1.127 472 Y CA 0.944 59.279 58.100 0.392 0.000 1.131 472 Y CB -0.933 37.971 38.460 0.740 0.000 0.995 472 Y HN 0.324 nan 8.280 nan 0.000 0.505 473 W N -0.424 120.982 121.300 0.176 0.000 2.355 473 W HA -0.215 4.445 4.660 -0.000 0.000 0.309 473 W C 2.551 179.061 176.519 -0.016 0.000 1.206 473 W CA 0.976 58.348 57.345 0.045 0.000 1.284 473 W CB -0.442 28.983 29.460 -0.058 0.000 1.145 473 W HN 0.048 nan 8.180 nan 0.000 0.502 474 A N 0.088 123.012 122.820 0.173 0.000 1.898 474 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 474 A C 1.816 179.367 177.584 -0.056 0.000 1.181 474 A CA 2.205 54.247 52.037 0.009 0.000 0.620 474 A CB -1.172 17.810 19.000 -0.030 0.000 0.819 474 A HN 0.194 nan 8.150 nan 0.000 0.442 475 T N -0.849 113.638 114.554 -0.111 0.000 2.821 475 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 475 T C 1.606 176.265 174.700 -0.069 0.000 1.046 475 T CA 1.474 63.482 62.100 -0.154 0.000 1.139 475 T CB -0.362 68.376 68.868 -0.216 0.000 0.871 475 T HN 0.483 nan 8.240 nan 0.000 0.454 476 F N 2.349 122.207 119.950 -0.154 0.000 2.146 476 F HA 0.067 4.593 4.527 -0.001 0.000 0.298 476 F C 2.440 178.149 175.800 -0.150 0.000 1.096 476 F CA 0.866 58.737 58.000 -0.213 0.000 1.275 476 F CB -0.691 38.118 39.000 -0.319 0.000 1.008 476 F HN 0.135 nan 8.300 nan 0.000 0.480 477 A N 0.290 123.027 122.820 -0.139 0.000 1.940 477 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 477 A C 2.214 179.666 177.584 -0.220 0.000 1.176 477 A CA 2.091 54.010 52.037 -0.197 0.000 0.631 477 A CB -0.635 18.316 19.000 -0.082 0.000 0.814 477 A HN 0.510 nan 8.150 nan 0.000 0.446 478 K N -1.297 119.000 120.400 -0.172 0.000 2.044 478 K HA -0.045 4.275 4.320 -0.001 0.000 0.204 478 K C 2.090 178.592 176.600 -0.162 0.000 1.049 478 K CA 1.675 57.880 56.287 -0.136 0.000 0.945 478 K CB -0.159 32.283 32.500 -0.097 0.000 0.724 478 K HN 0.651 nan 8.250 nan 0.000 0.440 479 T N -3.709 110.728 114.554 -0.196 0.000 2.990 479 T HA 0.218 4.568 4.350 -0.001 0.000 0.250 479 T C 1.282 175.842 174.700 -0.233 0.000 1.041 479 T CA 0.441 62.438 62.100 -0.172 0.000 1.010 479 T CB 0.840 69.641 68.868 -0.111 0.000 1.003 479 T HN 0.310 nan 8.240 nan 0.000 0.499 480 G N 1.475 109.997 108.800 -0.463 0.000 2.132 480 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.234 480 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.234 480 G C -0.213 174.616 174.900 -0.118 0.000 0.989 480 G CA 0.037 44.805 45.100 -0.553 0.000 0.676 480 G HN 0.869 nan 8.290 nan 0.000 0.522 481 N N -0.445 118.194 118.700 -0.102 0.000 2.503 481 N HA 0.380 5.120 4.740 -0.001 0.000 0.287 481 N C -1.791 173.602 175.510 -0.195 0.000 1.096 481 N CA -1.250 51.701 53.050 -0.166 0.000 0.936 481 N CB 2.333 40.802 38.487 -0.029 0.000 1.570 481 N HN -0.073 nan 8.380 nan 0.000 0.504 482 P HA -0.044 nan 4.420 nan 0.000 0.226 482 P C -0.451 176.947 177.300 0.163 0.000 1.153 482 P CA 0.663 63.667 63.100 -0.159 0.000 0.777 482 P CB 0.367 31.705 31.700 -0.603 0.000 0.794 483 N N 1.222 119.967 118.700 0.075 0.000 2.509 483 N HA 0.121 4.861 4.740 -0.001 0.000 0.287 483 N C 0.264 175.845 175.510 0.119 0.000 1.121 483 N CA -0.307 52.860 53.050 0.196 0.000 0.977 483 N CB 1.060 39.664 38.487 0.195 0.000 1.167 483 N HN 0.026 nan 8.380 nan 0.000 0.476 484 E N 1.803 122.096 120.200 0.156 0.000 2.344 484 E HA 0.095 4.445 4.350 -0.001 0.000 0.270 484 E C -1.334 175.282 176.600 0.026 0.000 1.021 484 E CA -1.417 55.046 56.400 0.105 0.000 0.887 484 E CB 0.764 30.561 29.700 0.162 0.000 0.997 484 E HN 0.324 nan 8.360 nan 0.000 0.429 485 P HA -0.204 nan 4.420 nan 0.000 0.209 485 P C 0.475 177.578 177.300 -0.329 0.000 1.080 485 P CA 1.674 64.601 63.100 -0.289 0.000 0.971 485 P CB 0.116 31.558 31.700 -0.430 0.000 0.768 486 H N -2.086 117.023 119.070 0.065 0.000 2.472 486 H HA 0.322 4.878 4.556 -0.001 0.000 0.287 486 H C 0.766 176.131 175.328 0.061 0.000 1.112 486 H CA -0.282 55.801 56.048 0.059 0.000 1.021 486 H CB -0.352 29.437 29.762 0.045 0.000 1.635 486 H HN 0.117 nan 8.280 nan 0.000 0.559 487 S N 0.587 116.366 115.700 0.132 0.000 2.592 487 S HA -0.029 4.440 4.470 -0.001 0.000 0.256 487 S C 1.267 175.931 174.600 0.107 0.000 1.369 487 S CA 0.062 58.330 58.200 0.113 0.000 0.984 487 S CB 0.972 64.240 63.200 0.113 0.000 0.919 487 S HN 0.345 nan 8.310 nan 0.000 0.576 488 Q N 0.088 119.938 119.800 0.084 0.000 2.217 488 Q HA 0.291 4.631 4.340 -0.001 0.000 0.217 488 Q C -0.067 175.976 176.000 0.072 0.000 0.844 488 Q CA 0.016 55.863 55.803 0.073 0.000 0.957 488 Q CB 0.242 29.012 28.738 0.054 0.000 1.127 488 Q HN 0.639 nan 8.270 nan 0.000 0.503 489 E N 1.115 121.365 120.200 0.082 0.000 2.397 489 E HA 0.163 4.513 4.350 -0.001 0.000 0.254 489 E C -0.113 176.557 176.600 0.117 0.000 1.231 489 E CA -0.049 56.405 56.400 0.089 0.000 0.954 489 E CB 0.508 30.266 29.700 0.096 0.000 1.024 489 E HN -0.118 nan 8.360 nan 0.000 0.481 490 S N 1.235 117.010 115.700 0.125 0.000 2.549 490 S HA 0.089 4.559 4.470 -0.001 0.000 0.279 490 S C 0.184 174.904 174.600 0.200 0.000 1.321 490 S CA -0.390 57.890 58.200 0.134 0.000 1.054 490 S CB 0.415 63.680 63.200 0.107 0.000 0.899 490 S HN 0.140 nan 8.310 nan 0.000 0.497 491 K N 2.194 122.707 120.400 0.189 0.000 2.249 491 K HA 0.112 4.431 4.320 -0.001 0.000 0.280 491 K C -0.375 176.409 176.600 0.307 0.000 1.033 491 K CA -0.400 56.037 56.287 0.249 0.000 0.946 491 K CB 0.528 33.150 32.500 0.203 0.000 1.005 491 K HN 0.689 nan 8.250 nan 0.000 0.469 492 W N 7.507 128.897 121.300 0.150 0.000 2.430 492 W HA 0.145 4.805 4.660 -0.000 0.000 0.380 492 W C -2.157 174.498 176.519 0.226 0.000 1.045 492 W CA -2.689 54.737 57.345 0.134 0.000 1.547 492 W CB -0.465 29.003 29.460 0.014 0.000 1.554 492 W HN 0.386 nan 8.180 nan 0.000 0.378 493 P HA -0.100 nan 4.420 nan 0.000 0.267 493 P C -0.299 177.215 177.300 0.357 0.000 1.201 493 P CA -0.157 63.159 63.100 0.360 0.000 0.775 493 P CB 1.303 33.142 31.700 0.231 0.000 0.854 494 L N 3.268 124.572 121.223 0.136 0.000 2.439 494 L HA 0.300 4.639 4.340 -0.001 0.000 0.269 494 L C -0.108 176.771 176.870 0.016 0.000 1.179 494 L CA -0.373 54.378 54.840 -0.147 0.000 0.828 494 L CB -0.397 41.566 42.059 -0.160 0.000 1.106 494 L HN 0.247 nan 8.230 nan 0.000 0.467 495 F N 3.544 123.398 119.950 -0.159 0.000 2.411 495 F HA 0.534 5.061 4.527 -0.001 0.000 0.350 495 F C 0.091 175.868 175.800 -0.038 0.000 1.114 495 F CA -0.192 57.796 58.000 -0.020 0.000 1.135 495 F CB 0.837 39.847 39.000 0.017 0.000 1.120 495 F HN 0.614 nan 8.300 nan 0.000 0.495 496 T N 1.257 115.519 114.554 -0.487 0.000 2.893 496 T HA 0.249 4.598 4.350 -0.001 0.000 0.291 496 T C 0.864 175.271 174.700 -0.488 0.000 1.028 496 T CA -0.423 61.481 62.100 -0.327 0.000 0.995 496 T CB 1.517 70.276 68.868 -0.181 0.000 1.051 496 T HN 0.570 nan 8.240 nan 0.000 0.470 497 T N 1.433 115.848 114.554 -0.232 0.000 2.714 497 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 497 T C 1.677 176.268 174.700 -0.181 0.000 1.036 497 T CA 1.999 64.003 62.100 -0.160 0.000 1.148 497 T CB -0.277 68.551 68.868 -0.067 0.000 0.856 497 T HN 0.755 nan 8.240 nan 0.000 0.462 498 K N 0.407 120.708 120.400 -0.166 0.000 1.995 498 K HA -0.083 4.236 4.320 -0.001 0.000 0.207 498 K C 2.376 178.893 176.600 -0.138 0.000 1.041 498 K CA 1.051 57.265 56.287 -0.121 0.000 0.942 498 K CB 0.083 32.531 32.500 -0.086 0.000 0.731 498 K HN 0.104 nan 8.250 nan 0.000 0.439 499 E N 0.811 120.913 120.200 -0.164 0.000 2.072 499 E HA -0.153 4.196 4.350 -0.001 0.000 0.190 499 E C 0.165 176.662 176.600 -0.171 0.000 0.982 499 E CA 0.740 57.062 56.400 -0.130 0.000 0.803 499 E CB -0.154 29.489 29.700 -0.095 0.000 0.755 499 E HN 0.353 nan 8.360 nan 0.000 0.453 500 Q N 0.346 119.889 119.800 -0.428 0.000 2.470 500 Q HA -0.181 4.159 4.340 -0.001 0.000 0.294 500 Q C -0.726 175.286 176.000 0.020 0.000 1.356 500 Q CA 0.573 56.032 55.803 -0.573 0.000 0.805 500 Q CB -1.382 27.237 28.738 -0.199 0.000 1.157 500 Q HN 0.196 nan 8.270 nan 0.000 0.431 501 K N 0.422 120.861 120.400 0.065 0.000 2.154 501 K HA 0.645 4.965 4.320 -0.001 0.000 0.264 501 K C -0.007 176.931 176.600 0.564 0.000 1.008 501 K CA 0.045 56.492 56.287 0.267 0.000 0.937 501 K CB 0.609 33.197 32.500 0.148 0.000 1.002 501 K HN 0.223 nan 8.250 nan 0.000 0.469 502 F N -0.428 119.697 119.950 0.292 0.000 2.741 502 F HA 0.594 5.120 4.527 -0.001 0.000 0.313 502 F C -1.465 174.469 175.800 0.224 0.000 1.153 502 F CA -1.452 56.748 58.000 0.333 0.000 0.931 502 F CB 0.769 39.963 39.000 0.323 0.000 1.335 502 F HN 0.443 nan 8.300 nan 0.000 0.460 503 I N -0.675 120.020 120.570 0.208 0.000 2.892 503 I HA 0.648 4.817 4.170 -0.001 0.000 0.306 503 I C -1.262 174.973 176.117 0.196 0.000 1.078 503 I CA -0.799 60.462 61.300 -0.066 0.000 1.032 503 I CB 2.123 39.912 38.000 -0.351 0.000 1.229 503 I HN 0.487 nan 8.210 nan 0.000 0.435 504 D N 3.084 123.580 120.400 0.161 0.000 2.253 504 D HA 0.466 5.106 4.640 -0.001 0.000 0.249 504 D C -0.984 175.388 176.300 0.119 0.000 1.049 504 D CA 0.031 54.209 54.000 0.297 0.000 0.929 504 D CB 2.380 43.349 40.800 0.282 0.000 1.176 504 D HN 0.314 nan 8.370 nan 0.000 0.437 505 L N 2.937 124.229 121.223 0.114 0.000 2.417 505 L HA 0.250 4.589 4.340 -0.001 0.000 0.259 505 L C -0.888 175.881 176.870 -0.168 0.000 1.023 505 L CA -0.403 54.448 54.840 0.019 0.000 0.901 505 L CB 0.060 42.206 42.059 0.144 0.000 1.227 505 L HN 0.410 nan 8.230 nan 0.000 0.454 506 N N -1.220 117.390 118.700 -0.151 0.000 2.972 506 N HA 0.339 5.079 4.740 -0.001 0.000 0.262 506 N C 0.238 175.628 175.510 -0.201 0.000 1.478 506 N CA -0.247 52.654 53.050 -0.248 0.000 0.841 506 N CB 0.542 38.943 38.487 -0.142 0.000 1.512 506 N HN 0.046 nan 8.380 nan 0.000 0.548 507 T N -3.236 111.145 114.554 -0.289 0.000 3.584 507 T HA 0.138 4.488 4.350 -0.001 0.000 0.252 507 T C -0.348 174.305 174.700 -0.078 0.000 1.103 507 T CA 0.293 62.279 62.100 -0.190 0.000 0.977 507 T CB -1.043 67.684 68.868 -0.235 0.000 1.044 507 T HN 0.528 nan 8.240 nan 0.000 0.589 508 E N 1.173 121.343 120.200 -0.050 0.000 2.299 508 E HA 0.411 4.760 4.350 -0.001 0.000 0.265 508 E C -2.824 173.773 176.600 -0.004 0.000 0.911 508 E CA -3.022 53.370 56.400 -0.013 0.000 0.789 508 E CB 1.149 30.854 29.700 0.008 0.000 1.246 508 E HN 0.061 nan 8.360 nan 0.000 0.427 509 P HA -0.124 nan 4.420 nan 0.000 0.255 509 P C -0.334 176.966 177.300 0.000 0.000 1.173 509 P CA 0.547 63.650 63.100 0.005 0.000 0.780 509 P CB 0.112 31.815 31.700 0.005 0.000 0.758 510 M N 3.892 123.495 119.600 0.006 0.000 2.207 510 M HA -0.140 4.340 4.480 -0.001 0.000 0.392 510 M C -0.464 175.805 176.300 -0.052 0.000 1.286 510 M CA 1.366 56.658 55.300 -0.012 0.000 0.828 510 M CB -0.002 32.606 32.600 0.014 0.000 1.903 510 M HN 0.226 nan 8.290 nan 0.000 0.499 511 K N 4.399 124.739 120.400 -0.100 0.000 2.397 511 K HA 0.581 4.901 4.320 -0.001 0.000 0.253 511 K C -1.337 175.019 176.600 -0.407 0.000 0.932 511 K CA -0.973 55.174 56.287 -0.233 0.000 0.795 511 K CB 2.433 34.796 32.500 -0.227 0.000 1.159 511 K HN 0.506 nan 8.250 nan 0.000 0.424 512 V N 3.423 123.069 119.914 -0.446 0.000 2.716 512 V HA 0.368 4.488 4.120 -0.001 0.000 0.304 512 V C 0.108 175.759 176.094 -0.740 0.000 1.053 512 V CA -0.413 61.628 62.300 -0.432 0.000 0.984 512 V CB 1.199 32.912 31.823 -0.183 0.000 1.021 512 V HN 0.749 nan 8.190 nan 0.000 0.467 513 H N 1.889 120.686 119.070 -0.455 0.000 3.448 513 H HA 0.632 5.187 4.556 -0.001 0.000 0.311 513 H C -1.200 174.018 175.328 -0.184 0.000 1.666 513 H CA -0.758 55.040 56.048 -0.418 0.000 1.221 513 H CB 2.042 31.355 29.762 -0.747 0.000 1.749 513 H HN 0.555 nan 8.280 nan 0.000 0.659 514 Q N 0.232 120.159 119.800 0.212 0.000 2.435 514 Q HA 0.324 4.663 4.340 -0.001 0.000 0.282 514 Q C -0.888 175.333 176.000 0.369 0.000 1.020 514 Q CA -0.864 55.120 55.803 0.303 0.000 0.820 514 Q CB 3.103 31.929 28.738 0.146 0.000 1.436 514 Q HN 0.455 nan 8.270 nan 0.000 0.395 515 R N 0.928 121.620 120.500 0.319 0.000 2.974 515 R HA -0.211 4.129 4.340 -0.001 0.000 0.258 515 R C -0.524 175.876 176.300 0.165 0.000 0.892 515 R CA -0.118 56.113 56.100 0.218 0.000 0.664 515 R CB -1.430 28.956 30.300 0.143 0.000 1.478 515 R HN 0.425 nan 8.270 nan 0.000 0.498 516 L N 2.667 123.906 121.223 0.028 0.000 2.628 516 L HA -0.035 4.305 4.340 -0.001 0.000 0.274 516 L C 0.820 177.631 176.870 -0.098 0.000 1.209 516 L CA 0.653 55.327 54.840 -0.277 0.000 0.930 516 L CB -0.155 41.439 42.059 -0.775 0.000 1.183 516 L HN 0.454 nan 8.230 nan 0.000 0.492 517 R N 2.427 122.888 120.500 -0.064 0.000 3.184 517 R HA -0.189 4.151 4.340 -0.001 0.000 0.242 517 R C 1.192 177.543 176.300 0.086 0.000 0.907 517 R CA 0.600 56.716 56.100 0.027 0.000 0.618 517 R CB -1.746 28.589 30.300 0.059 0.000 1.016 517 R HN 0.744 nan 8.270 nan 0.000 0.469 518 V N -3.110 116.853 119.914 0.083 0.000 2.427 518 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 518 V C 2.235 178.394 176.094 0.109 0.000 1.051 518 V CA 1.823 64.186 62.300 0.104 0.000 1.048 518 V CB -0.376 31.502 31.823 0.093 0.000 0.666 518 V HN 0.297 nan 8.190 nan 0.000 0.456 519 Q N 0.143 119.990 119.800 0.080 0.000 2.045 519 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 519 Q C 2.161 178.215 176.000 0.090 0.000 0.991 519 Q CA 2.418 58.253 55.803 0.053 0.000 0.851 519 Q CB -0.408 28.334 28.738 0.007 0.000 0.911 519 Q HN 0.585 nan 8.270 nan 0.000 0.418 520 M N -1.439 118.248 119.600 0.145 0.000 2.236 520 M HA -0.009 4.471 4.480 -0.001 0.000 0.266 520 M C 2.623 179.200 176.300 0.462 0.000 1.070 520 M CA 1.254 56.729 55.300 0.291 0.000 1.137 520 M CB -1.641 31.201 32.600 0.402 0.000 1.378 520 M HN 0.542 nan 8.290 nan 0.000 0.426 521 C N 0.196 119.706 119.300 0.349 0.000 2.411 521 C HA 0.000 4.460 4.460 -0.001 0.000 0.279 521 C C 2.875 178.037 174.990 0.286 0.000 1.288 521 C CA 1.053 60.270 59.018 0.332 0.000 1.764 521 C CB -1.308 26.564 27.740 0.219 0.000 1.974 521 C HN 0.301 nan 8.230 nan 0.000 0.498 522 V N -0.452 119.599 119.914 0.228 0.000 2.548 522 V HA -0.115 4.005 4.120 -0.001 0.000 0.249 522 V C 2.276 178.483 176.094 0.189 0.000 1.055 522 V CA 1.958 64.367 62.300 0.180 0.000 1.065 522 V CB -0.826 31.077 31.823 0.134 0.000 0.681 522 V HN 0.692 nan 8.190 nan 0.000 0.462 523 F N -0.167 119.812 119.950 0.050 0.000 2.186 523 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 523 F C 1.842 177.592 175.800 -0.083 0.000 1.090 523 F CA 1.406 59.376 58.000 -0.050 0.000 1.307 523 F CB -0.238 38.608 39.000 -0.257 0.000 1.019 523 F HN 0.177 nan 8.300 nan 0.000 0.489 524 W N 0.298 121.648 121.300 0.084 0.000 2.658 524 W HA 0.024 4.683 4.660 -0.001 0.000 0.263 524 W C 1.880 178.357 176.519 -0.071 0.000 1.274 524 W CA 0.336 57.663 57.345 -0.030 0.000 1.343 524 W CB -0.162 29.406 29.460 0.181 0.000 1.106 524 W HN -0.060 nan 8.180 nan 0.000 0.615 525 N N -0.736 118.055 118.700 0.152 0.000 2.454 525 N HA 0.008 4.747 4.740 -0.001 0.000 0.177 525 N C 1.429 176.923 175.510 -0.028 0.000 1.049 525 N CA 0.830 53.890 53.050 0.017 0.000 0.887 525 N CB -0.084 38.422 38.487 0.031 0.000 1.095 525 N HN 0.320 nan 8.380 nan 0.000 0.446 526 Q N -0.523 119.289 119.800 0.020 0.000 2.389 526 Q HA 0.169 4.509 4.340 -0.001 0.000 0.198 526 Q C 1.457 177.456 176.000 -0.002 0.000 0.967 526 Q CA 0.063 55.881 55.803 0.025 0.000 0.863 526 Q CB -0.073 28.714 28.738 0.082 0.000 0.987 526 Q HN 0.101 nan 8.270 nan 0.000 0.557 527 F N 2.037 121.906 119.950 -0.134 0.000 2.026 527 F HA -0.242 4.284 4.527 -0.001 0.000 0.296 527 F C 2.041 177.677 175.800 -0.273 0.000 1.133 527 F CA 1.240 59.137 58.000 -0.171 0.000 1.188 527 F CB -0.534 38.389 39.000 -0.128 0.000 0.968 527 F HN 0.034 nan 8.300 nan 0.000 0.476 528 L N 0.886 121.687 121.223 -0.703 0.000 1.990 528 L HA -0.139 4.201 4.340 -0.001 0.000 0.213 528 L C -0.728 175.858 176.870 -0.473 0.000 1.072 528 L CA 2.308 56.674 54.840 -0.790 0.000 0.755 528 L CB -1.930 39.559 42.059 -0.949 0.000 0.889 528 L HN 0.043 nan 8.230 nan 0.000 0.432 529 P HA -0.264 nan 4.420 nan 0.000 0.215 529 P C 1.505 178.688 177.300 -0.194 0.000 1.163 529 P CA 1.934 64.933 63.100 -0.168 0.000 0.894 529 P CB -0.116 31.514 31.700 -0.117 0.000 0.791 530 K N -0.266 119.999 120.400 -0.224 0.000 2.032 530 K HA -0.173 4.147 4.320 -0.001 0.000 0.209 530 K C 2.096 178.537 176.600 -0.266 0.000 1.048 530 K CA 1.293 57.459 56.287 -0.202 0.000 0.927 530 K CB -0.904 31.497 32.500 -0.165 0.000 0.712 530 K HN 0.036 nan 8.250 nan 0.000 0.441 531 L N 1.106 122.052 121.223 -0.461 0.000 1.989 531 L HA -0.216 4.123 4.340 -0.001 0.000 0.211 531 L C 2.276 178.989 176.870 -0.262 0.000 1.071 531 L CA 1.481 56.051 54.840 -0.451 0.000 0.749 531 L CB -0.262 41.357 42.059 -0.733 0.000 0.890 531 L HN 0.319 nan 8.230 nan 0.000 0.431 532 L N -0.277 120.800 121.223 -0.244 0.000 2.187 532 L HA -0.269 4.070 4.340 -0.001 0.000 0.213 532 L C 2.308 179.116 176.870 -0.104 0.000 1.100 532 L CA 1.610 56.358 54.840 -0.153 0.000 0.765 532 L CB -0.715 41.267 42.059 -0.128 0.000 0.904 532 L HN 0.487 nan 8.230 nan 0.000 0.437 533 N N -0.124 118.510 118.700 -0.109 0.000 2.135 533 N HA -0.144 4.596 4.740 -0.001 0.000 0.186 533 N C 1.929 177.399 175.510 -0.066 0.000 1.027 533 N CA 0.978 53.984 53.050 -0.073 0.000 0.849 533 N CB 0.070 38.515 38.487 -0.070 0.000 1.002 533 N HN 0.290 nan 8.380 nan 0.000 0.425 534 A N 0.254 123.026 122.820 -0.081 0.000 2.015 534 A HA -0.035 4.284 4.320 -0.001 0.000 0.219 534 A C 1.374 178.925 177.584 -0.054 0.000 1.163 534 A CA 1.558 53.558 52.037 -0.061 0.000 0.646 534 A CB -0.597 18.364 19.000 -0.065 0.000 0.806 534 A HN 0.575 nan 8.150 nan 0.000 0.448 535 T N 0.000 114.513 114.554 -0.068 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 535 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658