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 2qv4_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.977 175.900 0.128 0.000 1.272 2 Y CA 0.000 58.193 58.100 0.154 0.000 1.940 2 Y CB 0.000 38.485 38.460 0.042 0.000 1.050 3 S N 4.979 120.758 115.700 0.132 0.000 2.513 3 S HA 0.210 4.680 4.470 -0.000 0.000 0.276 3 S C -1.721 172.605 174.600 -0.458 0.000 1.254 3 S CA -0.947 57.167 58.200 -0.143 0.000 1.053 3 S CB 1.266 64.427 63.200 -0.065 0.000 0.958 3 S HN 0.090 nan 8.310 nan 0.000 0.491 4 P HA -0.067 nan 4.420 nan 0.000 0.230 4 P C -0.380 176.667 177.300 -0.421 0.000 1.158 4 P CA 0.481 62.627 63.100 -1.590 0.000 0.769 4 P CB -0.109 30.352 31.700 -2.064 0.000 0.807 5 N N -0.170 118.397 118.700 -0.223 0.000 2.754 5 N HA -0.084 4.656 4.740 -0.000 0.000 0.248 5 N C -0.028 175.558 175.510 0.127 0.000 1.093 5 N CA 1.372 54.428 53.050 0.010 0.000 0.699 5 N CB -2.361 36.121 38.487 -0.010 0.000 1.016 5 N HN 0.400 nan 8.380 nan 0.000 0.552 6 T N -2.798 111.781 114.554 0.041 0.000 2.899 6 T HA 0.352 4.702 4.350 -0.000 0.000 0.284 6 T C 0.634 175.370 174.700 0.059 0.000 1.004 6 T CA -0.634 61.517 62.100 0.086 0.000 1.043 6 T CB 2.074 70.999 68.868 0.095 0.000 1.013 6 T HN 0.087 nan 8.240 nan 0.000 0.518 7 Q N 0.837 120.661 119.800 0.040 0.000 2.474 7 Q HA 0.027 4.367 4.340 -0.000 0.000 0.256 7 Q C 0.497 176.508 176.000 0.018 0.000 1.048 7 Q CA -0.303 55.510 55.803 0.016 0.000 0.922 7 Q CB 0.414 29.150 28.738 -0.003 0.000 1.288 7 Q HN 0.643 nan 8.270 nan 0.000 0.484 8 Q N 0.592 120.399 119.800 0.010 0.000 2.263 8 Q HA -0.005 4.335 4.340 -0.000 0.000 0.289 8 Q C 0.359 176.361 176.000 0.002 0.000 1.061 8 Q CA 1.435 57.243 55.803 0.007 0.000 0.927 8 Q CB 0.147 28.887 28.738 0.004 0.000 1.154 8 Q HN 0.868 nan 8.270 nan 0.000 0.378 9 G N 4.805 113.606 108.800 0.001 0.000 3.349 9 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.202 9 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.202 9 G C -0.413 174.483 174.900 -0.007 0.000 1.588 9 G CA -0.157 44.937 45.100 -0.010 0.000 1.198 9 G HN 0.610 nan 8.290 nan 0.000 0.588 10 R N 2.126 122.630 120.500 0.005 0.000 2.526 10 R HA 0.324 4.664 4.340 -0.000 0.000 0.319 10 R C 1.559 177.885 176.300 0.044 0.000 0.888 10 R CA 1.343 57.452 56.100 0.016 0.000 1.127 10 R CB 0.181 30.513 30.300 0.053 0.000 0.888 10 R HN 0.770 nan 8.270 nan 0.000 0.410 11 T N -2.216 112.328 114.554 -0.016 0.000 3.084 11 T HA 0.330 4.680 4.350 -0.000 0.000 0.270 11 T C 0.229 174.742 174.700 -0.312 0.000 1.008 11 T CA -0.377 61.707 62.100 -0.026 0.000 0.900 11 T CB 0.453 69.281 68.868 -0.066 0.000 1.084 11 T HN 0.252 nan 8.240 nan 0.000 0.538 12 S N 1.219 116.750 115.700 -0.282 0.000 2.588 12 S HA 0.792 5.262 4.470 -0.000 0.000 0.275 12 S C -0.877 173.639 174.600 -0.139 0.000 1.130 12 S CA -1.088 56.830 58.200 -0.469 0.000 0.855 12 S CB 1.788 64.769 63.200 -0.365 0.000 1.116 12 S HN 0.578 nan 8.310 nan 0.000 0.472 13 I N -1.067 119.425 120.570 -0.129 0.000 2.740 13 I HA 0.914 5.084 4.170 -0.000 0.000 0.303 13 I C -0.970 175.202 176.117 0.092 0.000 1.044 13 I CA -1.094 60.269 61.300 0.105 0.000 1.064 13 I CB 1.778 39.858 38.000 0.134 0.000 1.249 13 I HN 0.436 nan 8.210 nan 0.000 0.433 14 V N 3.913 123.906 119.914 0.131 0.000 2.604 14 V HA 0.371 4.491 4.120 -0.000 0.000 0.305 14 V C -0.837 175.277 176.094 0.032 0.000 1.043 14 V CA -0.365 61.970 62.300 0.058 0.000 0.888 14 V CB 1.677 33.465 31.823 -0.058 0.000 0.995 14 V HN 0.913 nan 8.190 nan 0.000 0.429 15 H N 6.975 126.002 119.070 -0.073 0.000 2.872 15 H HA 0.370 4.926 4.556 -0.000 0.000 0.273 15 H C -0.354 174.902 175.328 -0.120 0.000 1.205 15 H CA -0.729 55.297 56.048 -0.037 0.000 1.342 15 H CB 0.735 30.505 29.762 0.012 0.000 1.469 15 H HN 0.612 nan 8.280 nan 0.000 0.487 16 L N 7.330 128.444 121.223 -0.181 0.000 2.423 16 L HA 0.035 4.374 4.340 -0.000 0.000 0.249 16 L C 0.010 176.762 176.870 -0.196 0.000 1.276 16 L CA -0.488 53.941 54.840 -0.685 0.000 1.199 16 L CB -0.725 40.616 42.059 -1.196 0.000 1.407 16 L HN 0.552 nan 8.230 nan 0.000 0.410 17 F N 4.367 124.106 119.950 -0.351 0.000 2.569 17 F HA -0.045 4.482 4.527 -0.000 0.000 0.395 17 F C 1.363 177.404 175.800 0.401 0.000 1.028 17 F CA 0.214 58.088 58.000 -0.209 0.000 1.158 17 F CB -0.171 38.570 39.000 -0.431 0.000 1.023 17 F HN 0.514 nan 8.300 nan 0.000 0.547 18 E N 2.405 122.650 120.200 0.075 0.000 3.496 18 E HA -0.299 4.051 4.350 -0.000 0.000 0.300 18 E C -0.546 176.202 176.600 0.247 0.000 0.877 18 E CA 0.879 57.300 56.400 0.036 0.000 1.050 18 E CB -1.680 27.892 29.700 -0.214 0.000 1.532 18 E HN 0.614 nan 8.360 nan 0.000 0.447 19 W N 1.709 122.961 121.300 -0.081 0.000 2.150 19 W HA 0.210 4.870 4.660 -0.000 0.000 0.341 19 W C 1.582 177.929 176.519 -0.287 0.000 1.276 19 W CA -0.076 57.094 57.345 -0.291 0.000 1.238 19 W CB 0.288 29.576 29.460 -0.287 0.000 1.128 19 W HN -0.110 nan 8.180 nan 0.000 0.581 20 R N 1.527 121.945 120.500 -0.137 0.000 2.531 20 R HA 0.085 4.425 4.340 -0.000 0.000 0.273 20 R C 1.045 177.346 176.300 0.002 0.000 1.070 20 R CA -0.445 55.488 56.100 -0.278 0.000 1.112 20 R CB 0.558 30.727 30.300 -0.219 0.000 1.049 20 R HN 0.704 nan 8.270 nan 0.000 0.508 21 W N 0.815 122.154 121.300 0.064 0.000 2.338 21 W HA -0.222 4.438 4.660 -0.000 0.000 0.304 21 W C 2.086 178.605 176.519 0.000 0.000 1.212 21 W CA 0.485 57.850 57.345 0.033 0.000 1.264 21 W CB -0.364 29.126 29.460 0.050 0.000 1.142 21 W HN 0.473 nan 8.180 nan 0.000 0.512 22 V N -1.929 118.107 119.914 0.202 0.000 2.490 22 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 22 V C 1.633 177.769 176.094 0.071 0.000 1.061 22 V CA 2.213 64.575 62.300 0.104 0.000 1.064 22 V CB -0.848 31.006 31.823 0.051 0.000 0.670 22 V HN 0.086 nan 8.190 nan 0.000 0.461 23 D N 0.597 121.029 120.400 0.054 0.000 2.149 23 D HA 0.007 4.647 4.640 -0.000 0.000 0.201 23 D C 2.202 178.631 176.300 0.216 0.000 0.972 23 D CA 1.771 55.795 54.000 0.040 0.000 0.835 23 D CB 0.020 40.721 40.800 -0.165 0.000 0.966 23 D HN 0.514 nan 8.370 nan 0.000 0.476 24 I N 1.352 122.081 120.570 0.266 0.000 2.315 24 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 24 I C 2.583 178.737 176.117 0.061 0.000 1.117 24 I CA 0.655 62.059 61.300 0.172 0.000 1.404 24 I CB -0.215 37.876 38.000 0.152 0.000 1.071 24 I HN -0.105 nan 8.210 nan 0.000 0.419 25 A N 1.320 124.174 122.820 0.056 0.000 1.883 25 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 25 A C 2.306 179.899 177.584 0.015 0.000 1.186 25 A CA 1.555 53.593 52.037 0.001 0.000 0.624 25 A CB -0.903 18.101 19.000 0.008 0.000 0.822 25 A HN 0.377 nan 8.150 nan 0.000 0.444 26 L N -1.206 120.042 121.223 0.043 0.000 2.046 26 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 26 L C 2.652 179.560 176.870 0.064 0.000 1.077 26 L CA 1.735 56.602 54.840 0.045 0.000 0.747 26 L CB -0.483 41.600 42.059 0.040 0.000 0.896 26 L HN 0.460 nan 8.230 nan 0.000 0.432 27 E N -0.335 119.922 120.200 0.095 0.000 2.153 27 E HA -0.206 4.143 4.350 -0.000 0.000 0.194 27 E C 2.256 178.883 176.600 0.045 0.000 0.988 27 E CA 1.391 57.855 56.400 0.105 0.000 0.811 27 E CB -0.186 29.584 29.700 0.118 0.000 0.746 27 E HN 0.425 nan 8.360 nan 0.000 0.466 28 c N 0.498 119.096 118.600 -0.004 0.000 2.432 28 c HA -0.102 4.468 4.570 -0.000 0.000 0.277 28 c C 2.347 176.437 174.090 0.000 0.000 1.249 28 c CA 1.197 57.507 56.329 -0.031 0.000 1.725 28 c CB -0.864 41.604 42.510 -0.070 0.000 2.028 28 c HN 0.543 nan 8.230 nan 0.000 0.477 29 E N 0.480 120.686 120.200 0.011 0.000 2.072 29 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 29 E C 2.356 178.981 176.600 0.043 0.000 0.982 29 E CA 0.991 57.402 56.400 0.019 0.000 0.803 29 E CB -0.246 29.463 29.700 0.016 0.000 0.755 29 E HN 0.698 nan 8.360 nan 0.000 0.453 30 R N -0.876 119.668 120.500 0.073 0.000 2.200 30 R HA -0.020 4.320 4.340 -0.000 0.000 0.208 30 R C 1.207 177.613 176.300 0.178 0.000 1.033 30 R CA 1.067 57.231 56.100 0.108 0.000 1.000 30 R CB 0.029 30.396 30.300 0.112 0.000 0.906 30 R HN 0.222 nan 8.270 nan 0.000 0.462 31 Y N 0.196 120.502 120.300 0.011 0.000 2.912 31 Y HA 0.271 4.820 4.550 -0.000 0.000 0.250 31 Y C 1.874 177.776 175.900 0.002 0.000 1.073 31 Y CA -0.205 57.903 58.100 0.013 0.000 1.275 31 Y CB 0.306 38.767 38.460 0.002 0.000 1.470 31 Y HN -0.182 nan 8.280 nan 0.000 0.447 32 L N 0.223 121.494 121.223 0.079 0.000 2.012 32 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 32 L C 2.578 179.515 176.870 0.111 0.000 1.073 32 L CA 1.617 56.451 54.840 -0.010 0.000 0.748 32 L CB -1.008 40.987 42.059 -0.106 0.000 0.891 32 L HN 0.341 nan 8.230 nan 0.000 0.431 33 A N 0.697 123.545 122.820 0.047 0.000 1.841 33 A HA -0.087 4.232 4.320 -0.000 0.000 0.214 33 A C 0.221 177.822 177.584 0.028 0.000 1.195 33 A CA 1.596 53.655 52.037 0.037 0.000 0.611 33 A CB -1.884 17.120 19.000 0.007 0.000 0.835 33 A HN 0.333 nan 8.150 nan 0.000 0.443 34 P HA -0.124 nan 4.420 nan 0.000 0.220 34 P C 0.575 177.847 177.300 -0.046 0.000 1.148 34 P CA 1.021 64.103 63.100 -0.031 0.000 0.803 34 P CB -0.037 31.634 31.700 -0.048 0.000 0.782 35 K N -1.065 119.304 120.400 -0.052 0.000 2.444 35 K HA 0.180 4.500 4.320 -0.000 0.000 0.193 35 K C 1.414 178.061 176.600 0.078 0.000 1.024 35 K CA 0.652 56.933 56.287 -0.010 0.000 1.077 35 K CB -0.612 31.854 32.500 -0.057 0.000 0.833 35 K HN 0.268 nan 8.250 nan 0.000 0.517 36 G N 1.504 110.365 108.800 0.102 0.000 2.132 36 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.228 36 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.228 36 G C -0.167 174.748 174.900 0.025 0.000 1.000 36 G CA -0.419 44.701 45.100 0.033 0.000 0.693 36 G HN 0.146 nan 8.290 nan 0.000 0.515 37 F N 0.475 120.424 119.950 -0.001 0.000 2.429 37 F HA 0.513 5.040 4.527 -0.000 0.000 0.348 37 F C 1.809 177.622 175.800 0.021 0.000 1.109 37 F CA 0.928 58.937 58.000 0.016 0.000 1.232 37 F CB 1.272 40.292 39.000 0.034 0.000 1.157 37 F HN -0.000 nan 8.300 nan 0.000 0.564 38 G N 1.028 109.944 108.800 0.193 0.000 2.426 38 G HA2 0.408 4.368 3.960 -0.000 0.000 0.214 38 G HA3 0.408 4.368 3.960 -0.000 0.000 0.214 38 G C 0.485 175.523 174.900 0.231 0.000 1.156 38 G CA 0.671 45.882 45.100 0.185 0.000 0.802 38 G HN 1.008 nan 8.290 nan 0.000 0.534 39 G N -1.954 107.021 108.800 0.290 0.000 2.554 39 G HA2 0.471 4.431 3.960 -0.000 0.000 0.306 39 G HA3 0.471 4.431 3.960 -0.000 0.000 0.306 39 G C -2.209 172.837 174.900 0.242 0.000 1.320 39 G CA -0.238 45.043 45.100 0.302 0.000 0.800 39 G HN 0.469 nan 8.290 nan 0.000 0.481 40 V N 0.529 120.565 119.914 0.204 0.000 2.577 40 V HA 0.445 4.565 4.120 -0.000 0.000 0.303 40 V C -0.419 175.807 176.094 0.220 0.000 1.042 40 V CA -0.694 61.673 62.300 0.112 0.000 0.872 40 V CB 1.765 33.553 31.823 -0.059 0.000 0.998 40 V HN 0.699 nan 8.190 nan 0.000 0.423 41 Q N 2.995 122.929 119.800 0.224 0.000 2.314 41 Q HA 0.439 4.779 4.340 -0.000 0.000 0.257 41 Q C -0.371 175.796 176.000 0.278 0.000 0.975 41 Q CA -0.217 55.731 55.803 0.242 0.000 0.933 41 Q CB 1.778 30.565 28.738 0.081 0.000 1.195 41 Q HN 0.793 nan 8.270 nan 0.000 0.426 42 V N 0.645 120.709 119.914 0.249 0.000 2.716 42 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 42 V C 0.345 176.700 176.094 0.434 0.000 1.053 42 V CA -0.815 61.702 62.300 0.361 0.000 0.984 42 V CB 1.752 33.734 31.823 0.265 0.000 1.021 42 V HN 0.591 nan 8.190 nan 0.000 0.467 43 S N 3.398 119.424 115.700 0.544 0.000 2.584 43 S HA 0.321 4.791 4.470 -0.000 0.000 0.270 43 S C -2.344 172.486 174.600 0.382 0.000 1.346 43 S CA -0.357 58.112 58.200 0.448 0.000 1.018 43 S CB 0.190 63.606 63.200 0.361 0.000 0.899 43 S HN 0.850 nan 8.310 nan 0.000 0.542 44 P HA -0.010 nan 4.420 nan 0.000 0.257 44 P C -1.880 175.564 177.300 0.240 0.000 1.162 44 P CA -0.498 62.681 63.100 0.132 0.000 0.762 44 P CB 0.064 31.707 31.700 -0.094 0.000 0.753 45 P HA -0.041 nan 4.420 nan 0.000 0.255 45 P C -0.216 177.163 177.300 0.132 0.000 1.248 45 P CA 0.551 63.805 63.100 0.256 0.000 0.807 45 P CB 0.231 31.796 31.700 -0.225 0.000 1.150 46 N N 0.625 119.383 118.700 0.097 0.000 2.508 46 N HA 0.050 4.790 4.740 -0.000 0.000 0.285 46 N C -0.201 175.274 175.510 -0.058 0.000 1.144 46 N CA -0.457 52.585 53.050 -0.014 0.000 0.978 46 N CB 1.393 39.783 38.487 -0.161 0.000 1.180 46 N HN -0.038 nan 8.380 nan 0.000 0.484 47 E N 0.633 120.780 120.200 -0.088 0.000 2.529 47 E HA -0.111 4.238 4.350 -0.000 0.000 0.259 47 E C -0.363 176.141 176.600 -0.161 0.000 0.966 47 E CA 0.088 56.427 56.400 -0.103 0.000 0.937 47 E CB 0.280 29.921 29.700 -0.098 0.000 0.923 47 E HN 0.739 nan 8.360 nan 0.000 0.468 48 N N 1.963 120.572 118.700 -0.151 0.000 2.701 48 N HA 0.261 5.000 4.740 -0.000 0.000 0.290 48 N C -0.953 174.428 175.510 -0.214 0.000 1.338 48 N CA -0.765 52.177 53.050 -0.181 0.000 0.799 48 N CB 0.939 39.343 38.487 -0.138 0.000 1.491 48 N HN 0.189 nan 8.380 nan 0.000 0.540 49 V N 0.332 120.116 119.914 -0.217 0.000 2.555 49 V HA 0.342 4.461 4.120 -0.000 0.000 0.286 49 V C 0.634 176.651 176.094 -0.129 0.000 1.044 49 V CA -0.633 61.557 62.300 -0.183 0.000 1.026 49 V CB 0.526 32.296 31.823 -0.087 0.000 0.981 49 V HN 0.830 nan 8.190 nan 0.000 0.480 50 A N 7.213 129.983 122.820 -0.083 0.000 2.343 50 A HA 0.613 4.932 4.320 -0.000 0.000 0.305 50 A C -0.238 177.169 177.584 -0.295 0.000 1.308 50 A CA -0.263 51.638 52.037 -0.227 0.000 0.949 50 A CB -0.400 18.538 19.000 -0.103 0.000 1.148 50 A HN 0.770 nan 8.150 nan 0.000 0.545 51 I N 2.292 122.598 120.570 -0.440 0.000 2.331 51 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 51 I C -0.107 175.665 176.117 -0.577 0.000 0.998 51 I CA -0.126 60.967 61.300 -0.345 0.000 1.267 51 I CB 1.251 39.087 38.000 -0.273 0.000 1.386 51 I HN 0.775 nan 8.210 nan 0.000 0.476 52 Y N 3.063 123.304 120.300 -0.097 0.000 2.444 52 Y HA 0.201 4.750 4.550 -0.000 0.000 0.249 52 Y C 0.642 176.536 175.900 -0.010 0.000 1.134 52 Y CA -0.315 57.770 58.100 -0.025 0.000 1.261 52 Y CB 0.361 38.861 38.460 0.068 0.000 1.143 52 Y HN 0.497 nan 8.280 nan 0.000 0.523 53 N N 1.654 120.374 118.700 0.032 0.000 2.617 53 N HA 0.237 4.977 4.740 -0.000 0.000 0.263 53 N C -2.811 172.632 175.510 -0.112 0.000 1.074 53 N CA -1.886 51.139 53.050 -0.040 0.000 0.841 53 N CB 1.098 39.594 38.487 0.015 0.000 1.221 53 N HN -0.129 nan 8.380 nan 0.000 0.529 54 P HA 0.139 nan 4.420 nan 0.000 0.275 54 P C -0.495 176.606 177.300 -0.331 0.000 1.270 54 P CA -0.396 62.344 63.100 -0.599 0.000 0.791 54 P CB 0.597 31.390 31.700 -1.513 0.000 1.089 55 F N 2.177 121.941 119.950 -0.310 0.000 2.490 55 F HA 0.121 4.648 4.527 -0.000 0.000 0.357 55 F C 0.786 176.562 175.800 -0.041 0.000 1.166 55 F CA -0.100 57.871 58.000 -0.049 0.000 1.116 55 F CB -0.355 38.711 39.000 0.110 0.000 1.171 55 F HN 0.230 nan 8.300 nan 0.000 0.576 56 R N 2.648 122.663 120.500 -0.809 0.000 3.422 56 R HA -0.158 4.182 4.340 -0.000 0.000 0.267 56 R C -2.521 173.504 176.300 -0.458 0.000 1.074 56 R CA 0.501 56.132 56.100 -0.781 0.000 0.718 56 R CB -2.825 26.869 30.300 -1.011 0.000 1.157 56 R HN 0.456 nan 8.270 nan 0.000 0.440 57 P HA -0.125 nan 4.420 nan 0.000 0.269 57 P C 1.613 178.573 177.300 -0.566 0.000 1.211 57 P CA -0.074 62.691 63.100 -0.558 0.000 0.781 57 P CB 0.171 31.034 31.700 -1.395 0.000 0.877 58 W N 3.422 124.576 121.300 -0.243 0.000 2.363 58 W HA -0.120 4.540 4.660 -0.000 0.000 0.296 58 W C 1.820 178.431 176.519 0.153 0.000 1.212 58 W CA 0.891 58.232 57.345 -0.006 0.000 1.260 58 W CB -1.953 27.669 29.460 0.271 0.000 1.131 58 W HN 0.468 nan 8.180 nan 0.000 0.530 59 W N 3.488 124.227 121.300 -0.936 0.000 2.848 59 W HA -0.037 4.623 4.660 -0.000 0.000 0.241 59 W C 1.512 177.930 176.519 -0.169 0.000 1.289 59 W CA 0.975 57.901 57.345 -0.698 0.000 1.396 59 W CB -1.494 27.227 29.460 -1.232 0.000 1.138 59 W HN 0.247 nan 8.180 nan 0.000 0.677 60 E N 1.722 121.831 120.200 -0.153 0.000 2.338 60 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 60 E C 1.754 178.347 176.600 -0.012 0.000 1.007 60 E CA 0.689 57.049 56.400 -0.066 0.000 0.849 60 E CB -0.479 29.047 29.700 -0.289 0.000 0.774 60 E HN 0.260 nan 8.360 nan 0.000 0.506 61 R N -0.360 120.134 120.500 -0.010 0.000 2.323 61 R HA 0.013 4.353 4.340 -0.000 0.000 0.198 61 R C 0.198 176.296 176.300 -0.337 0.000 0.988 61 R CA 0.493 56.500 56.100 -0.155 0.000 1.041 61 R CB 0.049 30.246 30.300 -0.171 0.000 0.926 61 R HN 0.305 nan 8.270 nan 0.000 0.476 62 Y N -0.266 120.146 120.300 0.188 0.000 2.720 62 Y HA 0.207 4.757 4.550 -0.000 0.000 0.277 62 Y C 0.233 176.281 175.900 0.246 0.000 1.144 62 Y CA -0.303 57.944 58.100 0.245 0.000 1.221 62 Y CB 0.685 39.327 38.460 0.303 0.000 1.163 62 Y HN -0.094 nan 8.280 nan 0.000 0.537 63 Q N 1.342 121.247 119.800 0.175 0.000 3.122 63 Q HA 0.351 4.690 4.340 -0.000 0.000 0.282 63 Q C -2.868 173.124 176.000 -0.013 0.000 0.947 63 Q CA -2.293 53.587 55.803 0.128 0.000 0.812 63 Q CB 0.983 29.788 28.738 0.111 0.000 1.333 63 Q HN 0.009 nan 8.270 nan 0.000 0.430 64 P HA -0.074 nan 4.420 nan 0.000 0.267 64 P C -0.241 176.907 177.300 -0.254 0.000 1.200 64 P CA 0.110 63.096 63.100 -0.189 0.000 0.772 64 P CB 1.362 32.927 31.700 -0.226 0.000 0.855 65 V N 0.460 120.191 119.914 -0.304 0.000 3.371 65 V HA 0.118 4.237 4.120 -0.000 0.000 0.246 65 V C 0.788 176.767 176.094 -0.191 0.000 1.303 65 V CA 1.408 63.553 62.300 -0.259 0.000 1.156 65 V CB 0.481 32.028 31.823 -0.459 0.000 0.929 65 V HN 0.808 nan 8.190 nan 0.000 0.459 66 S N -2.232 113.246 115.700 -0.371 0.000 2.724 66 S HA 0.442 4.912 4.470 -0.000 0.000 0.278 66 S C -0.776 173.393 174.600 -0.720 0.000 1.190 66 S CA -0.356 57.540 58.200 -0.506 0.000 0.860 66 S CB 0.877 63.947 63.200 -0.217 0.000 1.206 66 S HN -0.046 nan 8.310 nan 0.000 0.507 67 Y N 0.925 121.062 120.300 -0.272 0.000 2.555 67 Y HA 0.459 5.009 4.550 -0.001 0.000 0.259 67 Y C 0.591 176.384 175.900 -0.179 0.000 1.179 67 Y CA -0.802 57.033 58.100 -0.442 0.000 1.230 67 Y CB -0.104 38.051 38.460 -0.508 0.000 1.146 67 Y HN 0.393 nan 8.280 nan 0.000 0.526 68 K N 1.364 121.760 120.400 -0.007 0.000 2.451 68 K HA 0.135 4.455 4.320 -0.000 0.000 0.280 68 K C -0.176 176.458 176.600 0.056 0.000 1.020 68 K CA 0.055 56.376 56.287 0.056 0.000 1.008 68 K CB 0.589 33.109 32.500 0.034 0.000 0.917 68 K HN 0.182 nan 8.250 nan 0.000 0.478 69 L N 4.042 125.315 121.223 0.082 0.000 2.384 69 L HA 0.117 4.457 4.340 -0.000 0.000 0.258 69 L C -0.146 176.794 176.870 0.117 0.000 1.266 69 L CA -0.490 54.368 54.840 0.029 0.000 1.162 69 L CB -0.211 41.776 42.059 -0.119 0.000 1.375 69 L HN 0.597 nan 8.230 nan 0.000 0.420 70 c N 2.273 120.936 118.600 0.105 0.000 2.781 70 c HA 0.687 5.257 4.570 -0.000 0.000 0.348 70 c C 0.384 174.509 174.090 0.059 0.000 1.051 70 c CA -0.066 56.324 56.329 0.102 0.000 1.347 70 c CB 0.465 43.018 42.510 0.073 0.000 1.846 70 c HN 0.839 nan 8.230 nan 0.000 0.473 71 T N 2.078 116.665 114.554 0.055 0.000 2.654 71 T HA 0.493 4.843 4.350 -0.000 0.000 0.289 71 T C 0.938 175.577 174.700 -0.103 0.000 1.062 71 T CA -0.628 61.456 62.100 -0.026 0.000 1.041 71 T CB 0.975 69.836 68.868 -0.012 0.000 1.417 71 T HN 0.519 nan 8.240 nan 0.000 0.510 72 R N 0.086 120.494 120.500 -0.153 0.000 2.237 72 R HA 0.073 4.413 4.340 -0.000 0.000 0.219 72 R C 2.020 178.147 176.300 -0.288 0.000 1.080 72 R CA 0.883 56.873 56.100 -0.183 0.000 0.995 72 R CB -0.366 29.826 30.300 -0.180 0.000 0.875 72 R HN 0.536 nan 8.270 nan 0.000 0.462 73 S N -0.553 114.860 115.700 -0.479 0.000 2.496 73 S HA 0.145 4.615 4.470 -0.000 0.000 0.224 73 S C 0.679 174.674 174.600 -1.007 0.000 0.996 73 S CA 0.645 58.278 58.200 -0.946 0.000 0.927 73 S CB 0.784 62.869 63.200 -1.857 0.000 0.774 73 S HN 0.625 nan 8.310 nan 0.000 0.524 74 G N 1.453 109.947 108.800 -0.509 0.000 2.361 74 G HA2 0.161 4.121 3.960 -0.000 0.000 0.305 74 G HA3 0.161 4.121 3.960 -0.000 0.000 0.305 74 G C -1.308 173.711 174.900 0.198 0.000 1.367 74 G CA -0.744 44.289 45.100 -0.112 0.000 0.951 74 G HN 0.313 nan 8.290 nan 0.000 0.615 75 N N -0.616 118.233 118.700 0.247 0.000 2.476 75 N HA 0.382 5.122 4.740 -0.000 0.000 0.287 75 N C 1.113 176.812 175.510 0.314 0.000 1.262 75 N CA 0.115 53.306 53.050 0.235 0.000 0.980 75 N CB 0.809 39.389 38.487 0.156 0.000 1.163 75 N HN 0.756 nan 8.380 nan 0.000 0.592 76 E N -0.981 119.354 120.200 0.226 0.000 2.118 76 E HA -0.237 4.112 4.350 -0.000 0.000 0.195 76 E C 0.324 177.064 176.600 0.234 0.000 0.992 76 E CA 1.371 57.902 56.400 0.218 0.000 0.804 76 E CB -0.079 29.730 29.700 0.182 0.000 0.741 76 E HN 0.526 nan 8.360 nan 0.000 0.458 77 D N 0.405 120.923 120.400 0.197 0.000 2.123 77 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 77 D C 1.743 178.146 176.300 0.172 0.000 0.976 77 D CA 0.915 55.013 54.000 0.163 0.000 0.831 77 D CB -0.150 40.727 40.800 0.127 0.000 0.974 77 D HN 0.352 nan 8.370 nan 0.000 0.469 78 E N 0.036 120.374 120.200 0.231 0.000 2.110 78 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 78 E C 1.918 178.667 176.600 0.248 0.000 0.988 78 E CA 0.466 57.024 56.400 0.263 0.000 0.804 78 E CB -0.194 29.715 29.700 0.349 0.000 0.745 78 E HN 0.219 nan 8.360 nan 0.000 0.458 79 F N 1.760 121.769 119.950 0.099 0.000 2.102 79 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 79 F C 2.485 178.137 175.800 -0.248 0.000 1.105 79 F CA 1.571 59.354 58.000 -0.362 0.000 1.239 79 F CB -0.014 38.730 39.000 -0.427 0.000 0.991 79 F HN -0.228 nan 8.300 nan 0.000 0.474 80 R N 0.484 120.991 120.500 0.012 0.000 2.083 80 R HA -0.232 4.108 4.340 -0.000 0.000 0.237 80 R C 2.411 178.650 176.300 -0.100 0.000 1.137 80 R CA 1.681 57.761 56.100 -0.032 0.000 0.951 80 R CB -0.748 29.612 30.300 0.099 0.000 0.851 80 R HN 0.405 nan 8.270 nan 0.000 0.434 81 N N 0.497 119.174 118.700 -0.039 0.000 2.149 81 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 81 N C 1.814 177.262 175.510 -0.104 0.000 1.019 81 N CA 1.585 54.619 53.050 -0.027 0.000 0.857 81 N CB -0.043 38.460 38.487 0.027 0.000 0.997 81 N HN 0.321 nan 8.380 nan 0.000 0.426 82 M N 0.584 120.066 119.600 -0.198 0.000 2.077 82 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 82 M C 1.988 178.059 176.300 -0.383 0.000 1.070 82 M CA 1.358 56.496 55.300 -0.269 0.000 1.125 82 M CB -0.113 32.274 32.600 -0.354 0.000 1.339 82 M HN -0.059 nan 8.290 nan 0.000 0.409 83 V N 0.606 120.185 119.914 -0.559 0.000 2.332 83 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 83 V C 2.330 178.124 176.094 -0.499 0.000 1.055 83 V CA 2.371 64.335 62.300 -0.560 0.000 1.038 83 V CB -1.335 30.147 31.823 -0.568 0.000 0.651 83 V HN 0.602 nan 8.190 nan 0.000 0.450 84 T N -0.315 114.060 114.554 -0.298 0.000 2.674 84 T HA -0.203 4.146 4.350 -0.000 0.000 0.265 84 T C 2.086 176.706 174.700 -0.134 0.000 1.039 84 T CA 1.713 63.739 62.100 -0.123 0.000 1.150 84 T CB -0.256 68.683 68.868 0.118 0.000 0.864 84 T HN 0.411 nan 8.240 nan 0.000 0.427 85 R N 0.020 120.452 120.500 -0.112 0.000 2.096 85 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 85 R C 2.787 179.002 176.300 -0.142 0.000 1.127 85 R CA 1.352 57.402 56.100 -0.084 0.000 0.968 85 R CB -0.723 29.543 30.300 -0.057 0.000 0.861 85 R HN 0.388 nan 8.270 nan 0.000 0.440 86 c N 0.500 118.966 118.600 -0.224 0.000 2.453 86 c HA -0.001 4.569 4.570 -0.000 0.000 0.277 86 c C 2.292 176.190 174.090 -0.319 0.000 1.262 86 c CA 0.368 56.553 56.329 -0.240 0.000 1.718 86 c CB -0.924 41.424 42.510 -0.269 0.000 2.031 86 c HN 0.510 nan 8.230 nan 0.000 0.480 87 N N 1.633 120.011 118.700 -0.538 0.000 2.223 87 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 87 N C 1.306 176.530 175.510 -0.478 0.000 1.016 87 N CA 1.048 53.623 53.050 -0.792 0.000 0.863 87 N CB -0.603 36.790 38.487 -1.823 0.000 0.983 87 N HN 0.525 nan 8.380 nan 0.000 0.429 88 N N 0.375 118.946 118.700 -0.216 0.000 2.381 88 N HA -0.081 4.658 4.740 -0.000 0.000 0.182 88 N C 1.322 176.820 175.510 -0.020 0.000 1.025 88 N CA 0.592 53.660 53.050 0.030 0.000 0.888 88 N CB 0.106 38.651 38.487 0.096 0.000 0.965 88 N HN 0.254 nan 8.380 nan 0.000 0.438 89 V N -4.343 115.526 119.914 -0.075 0.000 3.271 89 V HA 0.553 4.673 4.120 -0.000 0.000 0.327 89 V C 1.128 177.185 176.094 -0.062 0.000 1.389 89 V CA 0.097 62.367 62.300 -0.049 0.000 1.156 89 V CB -0.045 31.756 31.823 -0.037 0.000 1.103 89 V HN 0.166 nan 8.190 nan 0.000 0.453 90 G N 0.308 109.044 108.800 -0.106 0.000 2.143 90 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 90 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 90 G C -0.003 174.844 174.900 -0.089 0.000 0.991 90 G CA 0.152 45.191 45.100 -0.102 0.000 0.689 90 G HN 0.911 nan 8.290 nan 0.000 0.522 91 V N 2.286 122.130 119.914 -0.118 0.000 2.347 91 V HA 0.568 4.688 4.120 -0.000 0.000 0.280 91 V C 0.634 176.630 176.094 -0.162 0.000 1.021 91 V CA -1.274 60.976 62.300 -0.082 0.000 0.847 91 V CB 1.378 33.163 31.823 -0.063 0.000 0.990 91 V HN 0.329 nan 8.190 nan 0.000 0.444 92 R N 4.159 124.586 120.500 -0.121 0.000 2.577 92 R HA 0.534 4.874 4.340 -0.000 0.000 0.269 92 R C -0.564 175.490 176.300 -0.409 0.000 1.084 92 R CA -0.663 55.273 56.100 -0.273 0.000 1.163 92 R CB 0.871 31.006 30.300 -0.276 0.000 1.100 92 R HN 0.425 nan 8.270 nan 0.000 0.547 93 I N 2.438 122.647 120.570 -0.601 0.000 2.406 93 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 93 I C -0.737 174.935 176.117 -0.742 0.000 0.999 93 I CA -0.905 60.075 61.300 -0.532 0.000 1.124 93 I CB 1.196 38.912 38.000 -0.474 0.000 1.289 93 I HN 0.413 nan 8.210 nan 0.000 0.441 94 Y N 4.739 124.980 120.300 -0.098 0.000 2.341 94 Y HA 0.448 4.997 4.550 -0.000 0.000 0.338 94 Y C 0.248 176.075 175.900 -0.121 0.000 0.965 94 Y CA -0.896 57.135 58.100 -0.115 0.000 1.108 94 Y CB 1.887 40.422 38.460 0.125 0.000 1.180 94 Y HN 0.181 nan 8.280 nan 0.000 0.458 95 V N 3.321 123.140 119.914 -0.158 0.000 2.498 95 V HA 0.076 4.195 4.120 -0.000 0.000 0.279 95 V C -0.053 176.116 176.094 0.125 0.000 1.048 95 V CA -0.669 61.635 62.300 0.007 0.000 0.967 95 V CB 1.299 33.122 31.823 0.000 0.000 0.988 95 V HN 0.666 nan 8.190 nan 0.000 0.473 96 D N 4.464 124.957 120.400 0.154 0.000 2.359 96 D HA 0.294 4.934 4.640 -0.000 0.000 0.250 96 D C 0.113 176.528 176.300 0.193 0.000 1.264 96 D CA -0.069 54.022 54.000 0.152 0.000 0.911 96 D CB 1.146 42.066 40.800 0.199 0.000 1.056 96 D HN 0.669 nan 8.370 nan 0.000 0.499 97 A N 4.252 127.176 122.820 0.174 0.000 2.279 97 A HA 0.370 4.690 4.320 -0.000 0.000 0.306 97 A C -0.035 177.628 177.584 0.132 0.000 1.300 97 A CA -0.664 51.477 52.037 0.174 0.000 0.925 97 A CB 0.570 19.594 19.000 0.039 0.000 1.152 97 A HN 0.382 nan 8.150 nan 0.000 0.544 98 V N 5.550 125.549 119.914 0.143 0.000 2.299 98 V HA 0.140 4.260 4.120 -0.000 0.000 0.255 98 V C 0.878 176.955 176.094 -0.029 0.000 1.100 98 V CA 0.349 62.676 62.300 0.045 0.000 0.938 98 V CB -0.539 31.299 31.823 0.026 0.000 1.139 98 V HN 0.870 nan 8.190 nan 0.000 0.490 99 I N 0.465 121.007 120.570 -0.046 0.000 4.154 99 I HA 0.343 4.513 4.170 -0.000 0.000 0.334 99 I C 1.505 177.585 176.117 -0.062 0.000 1.371 99 I CA 0.222 61.505 61.300 -0.028 0.000 1.110 99 I CB 0.130 38.117 38.000 -0.023 0.000 1.085 99 I HN 0.460 nan 8.210 nan 0.000 0.398 100 N N 1.544 120.177 118.700 -0.112 0.000 2.376 100 N HA -0.060 4.680 4.740 -0.000 0.000 0.177 100 N C 0.542 176.079 175.510 0.045 0.000 1.024 100 N CA 0.887 53.947 53.050 0.016 0.000 0.893 100 N CB 0.189 38.779 38.487 0.171 0.000 0.980 100 N HN 0.674 nan 8.380 nan 0.000 0.439 101 H N -3.363 115.738 119.070 0.053 0.000 2.966 101 H HA 0.316 4.872 4.556 -0.000 0.000 0.330 101 H C -0.495 174.836 175.328 0.005 0.000 1.292 101 H CA -0.911 55.161 56.048 0.041 0.000 1.127 101 H CB 0.598 30.381 29.762 0.035 0.000 1.863 101 H HN -0.178 nan 8.280 nan 0.000 0.543 102 M N 0.759 120.439 119.600 0.133 0.000 2.341 102 M HA 0.294 4.774 4.480 -0.000 0.000 0.221 102 M C 1.039 177.400 176.300 0.101 0.000 0.772 102 M CA -0.405 54.840 55.300 -0.091 0.000 1.742 102 M CB 0.361 32.634 32.600 -0.546 0.000 1.160 102 M HN 0.880 nan 8.290 nan 0.000 0.870 103 C N -0.022 119.334 119.300 0.093 0.000 2.480 103 C HA 0.760 5.220 4.460 -0.000 0.000 0.344 103 C C 1.000 176.066 174.990 0.126 0.000 1.380 103 C CA -0.893 58.214 59.018 0.147 0.000 2.386 103 C CB -0.600 27.230 27.740 0.151 0.000 2.210 103 C HN 0.838 nan 8.230 nan 0.000 0.640 104 G N 0.913 109.766 108.800 0.088 0.000 2.432 104 G HA2 0.212 4.171 3.960 -0.000 0.000 0.239 104 G HA3 0.212 4.171 3.960 -0.000 0.000 0.239 104 G C 0.590 175.515 174.900 0.040 0.000 1.291 104 G CA 0.350 45.468 45.100 0.031 0.000 0.863 104 G HN 1.106 nan 8.290 nan 0.000 0.560 105 N N 0.645 119.339 118.700 -0.011 0.000 2.453 105 N HA 0.041 4.781 4.740 -0.000 0.000 0.183 105 N C 1.669 177.160 175.510 -0.032 0.000 1.041 105 N CA 1.392 54.422 53.050 -0.035 0.000 0.900 105 N CB 0.194 38.643 38.487 -0.063 0.000 0.961 105 N HN 0.428 nan 8.380 nan 0.000 0.443 106 A N 0.003 122.812 122.820 -0.018 0.000 2.308 106 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 106 A C 0.336 177.918 177.584 -0.003 0.000 1.216 106 A CA -0.418 51.606 52.037 -0.020 0.000 0.864 106 A CB 0.075 19.062 19.000 -0.022 0.000 0.902 106 A HN 0.127 nan 8.150 nan 0.000 0.499 107 V N 1.826 121.758 119.914 0.031 0.000 2.655 107 V HA 0.073 4.192 4.120 -0.000 0.000 0.300 107 V C 0.713 176.805 176.094 -0.004 0.000 1.044 107 V CA 0.030 62.369 62.300 0.065 0.000 1.095 107 V CB 1.110 33.040 31.823 0.179 0.000 0.952 107 V HN 0.454 nan 8.190 nan 0.000 0.485 108 S N 3.882 119.563 115.700 -0.032 0.000 2.562 108 S HA 0.423 4.893 4.470 -0.000 0.000 0.281 108 S C 0.484 174.910 174.600 -0.290 0.000 1.333 108 S CA -0.191 57.940 58.200 -0.116 0.000 1.052 108 S CB 0.934 64.089 63.200 -0.076 0.000 0.884 108 S HN 1.058 nan 8.310 nan 0.000 0.506 109 A N 2.395 125.002 122.820 -0.356 0.000 2.425 109 A HA 0.718 5.037 4.320 -0.000 0.000 0.242 109 A C 0.999 178.249 177.584 -0.556 0.000 1.077 109 A CA 0.418 52.083 52.037 -0.619 0.000 0.781 109 A CB -0.313 18.439 19.000 -0.414 0.000 1.020 109 A HN 1.376 nan 8.150 nan 0.000 0.494 110 G N -0.817 107.502 108.800 -0.800 0.000 2.334 110 G HA2 0.374 4.334 3.960 -0.000 0.000 0.249 110 G HA3 0.374 4.334 3.960 -0.000 0.000 0.249 110 G C 0.038 174.772 174.900 -0.278 0.000 1.327 110 G CA 0.531 45.442 45.100 -0.314 0.000 0.979 110 G HN 1.724 nan 8.290 nan 0.000 0.471 111 T N -2.184 112.375 114.554 0.009 0.000 3.293 111 T HA 0.529 4.879 4.350 -0.000 0.000 0.276 111 T C 0.754 175.584 174.700 0.217 0.000 1.003 111 T CA 0.932 63.130 62.100 0.164 0.000 0.916 111 T CB 0.703 69.670 68.868 0.164 0.000 1.134 111 T HN 1.124 nan 8.240 nan 0.000 0.530 112 S N 2.796 118.650 115.700 0.257 0.000 4.120 112 S HA 0.447 4.917 4.470 -0.000 0.000 0.196 112 S C 0.261 175.065 174.600 0.340 0.000 1.447 112 S CA -0.596 57.778 58.200 0.289 0.000 0.939 112 S CB -0.984 62.373 63.200 0.263 0.000 1.496 112 S HN 0.757 nan 8.310 nan 0.000 0.460 113 S N 0.789 116.633 115.700 0.240 0.000 2.632 113 S HA 0.401 4.871 4.470 -0.000 0.000 0.289 113 S C 1.107 175.728 174.600 0.034 0.000 1.115 113 S CA -0.376 57.869 58.200 0.075 0.000 0.889 113 S CB 1.082 64.307 63.200 0.041 0.000 1.116 113 S HN 0.442 nan 8.310 nan 0.000 0.486 114 T N -3.086 111.449 114.554 -0.032 0.000 3.051 114 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 114 T C 1.091 175.794 174.700 0.005 0.000 1.127 114 T CA 0.959 63.043 62.100 -0.027 0.000 1.107 114 T CB -0.621 68.209 68.868 -0.062 0.000 0.898 114 T HN 0.637 nan 8.240 nan 0.000 0.517 115 c N 0.526 119.138 118.600 0.020 0.000 3.525 115 c HA 0.669 5.239 4.570 -0.000 0.000 0.289 115 c C 2.045 176.173 174.090 0.064 0.000 1.496 115 c CA -0.097 56.255 56.329 0.040 0.000 1.804 115 c CB -0.880 41.650 42.510 0.034 0.000 2.708 115 c HN 0.877 nan 8.230 nan 0.000 0.642 116 G N 1.577 110.427 108.800 0.084 0.000 2.162 116 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 116 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 116 G C 0.209 175.198 174.900 0.148 0.000 0.976 116 G CA 0.610 45.779 45.100 0.115 0.000 0.655 116 G HN 0.585 nan 8.290 nan 0.000 0.533 117 S N -0.309 115.477 115.700 0.144 0.000 2.568 117 S HA 0.413 4.882 4.470 -0.000 0.000 0.282 117 S C 0.058 174.837 174.600 0.298 0.000 1.338 117 S CA -0.246 58.062 58.200 0.180 0.000 1.045 117 S CB 0.844 64.120 63.200 0.126 0.000 0.873 117 S HN 0.614 nan 8.310 nan 0.000 0.516 118 Y N 3.730 124.128 120.300 0.163 0.000 2.304 118 Y HA 0.545 5.094 4.550 -0.001 0.000 0.327 118 Y C -0.497 175.541 175.900 0.230 0.000 1.209 118 Y CA -0.893 57.290 58.100 0.139 0.000 1.299 118 Y CB 0.382 38.860 38.460 0.030 0.000 1.249 118 Y HN 0.574 nan 8.280 nan 0.000 0.519 119 F N 3.101 122.450 119.950 -1.000 0.000 2.678 119 F HA 0.431 4.958 4.527 -0.001 0.000 0.308 119 F C -1.929 173.192 175.800 -1.131 0.000 1.118 119 F CA -1.446 56.006 58.000 -0.913 0.000 0.959 119 F CB 1.264 39.953 39.000 -0.519 0.000 1.305 119 F HN 0.435 nan 8.300 nan 0.000 0.443 120 N N 3.187 121.332 118.700 -0.925 0.000 2.648 120 N HA 0.399 5.139 4.740 -0.000 0.000 0.261 120 N C -2.543 172.659 175.510 -0.513 0.000 1.138 120 N CA -2.137 50.509 53.050 -0.674 0.000 0.804 120 N CB 1.942 40.199 38.487 -0.383 0.000 1.237 120 N HN 0.288 nan 8.380 nan 0.000 0.532 121 P HA -0.072 nan 4.420 nan 0.000 0.215 121 P C 1.316 178.505 177.300 -0.186 0.000 1.157 121 P CA 1.399 64.378 63.100 -0.202 0.000 0.874 121 P CB 0.199 31.879 31.700 -0.032 0.000 0.790 122 G N -0.274 108.426 108.800 -0.167 0.000 2.440 122 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 122 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 122 G C 1.536 176.365 174.900 -0.117 0.000 1.154 122 G CA 1.419 46.444 45.100 -0.126 0.000 0.767 122 G HN 0.443 nan 8.290 nan 0.000 0.552 123 S N -0.947 114.679 115.700 -0.123 0.000 2.575 123 S HA 0.229 4.699 4.470 -0.000 0.000 0.215 123 S C 1.098 175.659 174.600 -0.066 0.000 0.966 123 S CA 0.311 58.464 58.200 -0.079 0.000 0.911 123 S CB 0.095 63.268 63.200 -0.046 0.000 0.780 123 S HN 0.433 nan 8.310 nan 0.000 0.514 124 R N 1.060 121.483 120.500 -0.128 0.000 3.422 124 R HA -0.099 4.241 4.340 -0.000 0.000 0.267 124 R C -1.575 174.817 176.300 0.155 0.000 1.074 124 R CA 0.955 57.005 56.100 -0.083 0.000 0.718 124 R CB -2.044 28.206 30.300 -0.083 0.000 1.157 124 R HN 0.513 nan 8.270 nan 0.000 0.440 125 D N 0.182 120.536 120.400 -0.077 0.000 2.303 125 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 125 D C -0.351 175.836 176.300 -0.188 0.000 1.068 125 D CA -0.081 53.949 54.000 0.050 0.000 0.830 125 D CB 0.676 41.518 40.800 0.069 0.000 1.109 125 D HN 0.005 nan 8.370 nan 0.000 0.496 126 F N 3.047 123.168 119.950 0.285 0.000 2.531 126 F HA 0.222 4.749 4.527 -0.001 0.000 0.333 126 F C -1.362 174.551 175.800 0.188 0.000 1.292 126 F CA -1.635 56.507 58.000 0.236 0.000 1.184 126 F CB 1.596 40.763 39.000 0.279 0.000 1.426 126 F HN 0.149 nan 8.300 nan 0.000 0.559 127 P HA -0.262 nan 4.420 nan 0.000 0.218 127 P C 1.448 178.847 177.300 0.166 0.000 1.146 127 P CA 1.601 64.837 63.100 0.226 0.000 0.813 127 P CB 0.325 32.163 31.700 0.230 0.000 0.778 128 A N -0.524 122.390 122.820 0.157 0.000 2.121 128 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 128 A C 2.333 179.924 177.584 0.012 0.000 1.154 128 A CA 1.226 53.312 52.037 0.082 0.000 0.679 128 A CB -1.265 17.776 19.000 0.068 0.000 0.795 128 A HN 0.111 nan 8.150 nan 0.000 0.458 129 V N 0.451 120.349 119.914 -0.026 0.000 2.283 129 V HA 0.019 4.139 4.120 -0.000 0.000 0.239 129 V C -1.341 174.706 176.094 -0.079 0.000 1.035 129 V CA 1.372 63.565 62.300 -0.179 0.000 1.018 129 V CB -1.050 30.424 31.823 -0.580 0.000 0.658 129 V HN 0.500 nan 8.190 nan 0.000 0.459 130 P HA 0.396 nan 4.420 nan 0.000 0.292 130 P C -1.991 175.432 177.300 0.205 0.000 1.300 130 P CA -0.250 62.917 63.100 0.112 0.000 0.900 130 P CB 1.722 33.526 31.700 0.175 0.000 1.139 131 Y N -0.179 120.332 120.300 0.350 0.000 2.499 131 Y HA 0.479 5.029 4.550 -0.001 0.000 0.347 131 Y C 1.002 177.165 175.900 0.437 0.000 0.987 131 Y CA -0.453 57.865 58.100 0.363 0.000 1.044 131 Y CB 2.333 40.962 38.460 0.282 0.000 1.245 131 Y HN 0.490 nan 8.280 nan 0.000 0.461 132 S N -0.619 115.418 115.700 0.562 0.000 2.841 132 S HA 0.600 5.070 4.470 -0.000 0.000 0.318 132 S C 1.088 175.978 174.600 0.483 0.000 1.127 132 S CA -0.250 58.233 58.200 0.471 0.000 0.883 132 S CB 1.170 64.603 63.200 0.388 0.000 1.271 132 S HN 0.806 nan 8.310 nan 0.000 0.567 133 G N -0.520 108.435 108.800 0.260 0.000 2.470 133 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.220 133 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.220 133 G C 0.664 175.604 174.900 0.067 0.000 1.121 133 G CA 0.227 45.416 45.100 0.147 0.000 0.766 133 G HN 0.752 nan 8.290 nan 0.000 0.553 134 W N 0.763 122.159 121.300 0.159 0.000 2.595 134 W HA 0.151 4.811 4.660 -0.000 0.000 0.257 134 W C 1.143 177.679 176.519 0.028 0.000 1.267 134 W CA 0.241 57.633 57.345 0.079 0.000 1.300 134 W CB 0.441 29.920 29.460 0.032 0.000 1.120 134 W HN 0.109 nan 8.180 nan 0.000 0.618 135 D N -1.091 119.398 120.400 0.149 0.000 2.342 135 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 135 D C -0.373 175.542 176.300 -0.641 0.000 1.101 135 D CA 0.411 54.277 54.000 -0.224 0.000 0.837 135 D CB -0.117 40.482 40.800 -0.336 0.000 0.938 135 D HN 0.022 nan 8.370 nan 0.000 0.508 136 F N 0.307 120.275 119.950 0.030 0.000 2.598 136 F HA 0.312 4.839 4.527 -0.001 0.000 0.327 136 F C 1.289 177.103 175.800 0.024 0.000 1.057 136 F CA -1.111 56.889 58.000 -0.000 0.000 0.957 136 F CB 0.863 39.867 39.000 0.006 0.000 1.278 136 F HN -0.361 nan 8.300 nan 0.000 0.484 137 N N 1.168 120.000 118.700 0.220 0.000 2.362 137 N HA -0.032 4.707 4.740 -0.000 0.000 0.211 137 N C 0.766 176.342 175.510 0.109 0.000 1.170 137 N CA 0.314 53.448 53.050 0.141 0.000 0.828 137 N CB -0.311 38.253 38.487 0.129 0.000 1.034 137 N HN 0.597 nan 8.380 nan 0.000 0.475 138 D N 0.573 121.037 120.400 0.108 0.000 2.106 138 D HA -0.160 4.480 4.640 -0.000 0.000 0.191 138 D C 1.808 178.131 176.300 0.038 0.000 0.997 138 D CA 1.452 55.483 54.000 0.053 0.000 0.834 138 D CB -0.011 40.806 40.800 0.028 0.000 0.956 138 D HN 0.364 nan 8.370 nan 0.000 0.448 139 G N 0.776 109.601 108.800 0.042 0.000 2.403 139 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 139 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 139 G C 1.587 176.516 174.900 0.048 0.000 1.154 139 G CA 0.575 45.696 45.100 0.036 0.000 0.784 139 G HN 0.218 nan 8.290 nan 0.000 0.538 140 K N -0.290 120.149 120.400 0.065 0.000 2.025 140 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 140 K C 1.131 177.774 176.600 0.071 0.000 1.049 140 K CA 0.429 56.760 56.287 0.074 0.000 0.933 140 K CB -0.399 32.159 32.500 0.096 0.000 0.714 140 K HN 0.271 nan 8.250 nan 0.000 0.438 141 c N 2.630 121.269 118.600 0.065 0.000 2.634 141 c HA 0.089 4.659 4.570 -0.000 0.000 0.418 141 c C 0.897 175.007 174.090 0.034 0.000 1.373 141 c CA -0.054 56.305 56.329 0.050 0.000 1.756 141 c CB -0.281 42.251 42.510 0.036 0.000 2.589 141 c HN 0.445 nan 8.230 nan 0.000 0.602 142 K N 3.028 123.447 120.400 0.030 0.000 2.358 142 K HA 0.082 4.402 4.320 -0.000 0.000 0.197 142 K C 0.973 177.578 176.600 0.009 0.000 1.025 142 K CA 0.134 56.434 56.287 0.021 0.000 1.104 142 K CB 0.173 32.689 32.500 0.027 0.000 0.855 142 K HN 0.902 nan 8.250 nan 0.000 0.531 143 T N -2.701 111.854 114.554 0.002 0.000 2.868 143 T HA 0.170 4.520 4.350 -0.000 0.000 0.292 143 T C 1.459 176.155 174.700 -0.007 0.000 1.028 143 T CA -0.403 61.693 62.100 -0.007 0.000 1.059 143 T CB 1.653 70.510 68.868 -0.018 0.000 0.991 143 T HN 0.137 nan 8.240 nan 0.000 0.531 144 G N 0.356 109.151 108.800 -0.008 0.000 2.422 144 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.218 144 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.218 144 G C 1.680 176.573 174.900 -0.012 0.000 1.140 144 G CA 0.717 45.812 45.100 -0.008 0.000 0.775 144 G HN 0.932 nan 8.290 nan 0.000 0.545 145 S N -1.077 114.613 115.700 -0.016 0.000 2.478 145 S HA 0.359 4.829 4.470 -0.000 0.000 0.222 145 S C 1.983 176.568 174.600 -0.024 0.000 1.008 145 S CA 1.061 59.248 58.200 -0.020 0.000 0.928 145 S CB 0.089 63.275 63.200 -0.023 0.000 0.781 145 S HN 1.473 nan 8.310 nan 0.000 0.518 146 G N 0.870 109.658 108.800 -0.021 0.000 2.195 146 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 146 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 146 G C -0.351 174.531 174.900 -0.030 0.000 0.984 146 G CA 0.278 45.366 45.100 -0.020 0.000 0.633 146 G HN 0.563 nan 8.290 nan 0.000 0.525 147 D N -0.116 120.260 120.400 -0.040 0.000 2.384 147 D HA 0.573 5.213 4.640 -0.000 0.000 0.250 147 D C 0.985 177.245 176.300 -0.066 0.000 1.029 147 D CA -0.627 53.339 54.000 -0.057 0.000 0.990 147 D CB 0.950 41.715 40.800 -0.058 0.000 1.175 147 D HN 0.232 nan 8.370 nan 0.000 0.532 148 I N 1.143 121.655 120.570 -0.097 0.000 2.533 148 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 148 I C 1.348 177.412 176.117 -0.089 0.000 1.109 148 I CA 0.584 61.800 61.300 -0.140 0.000 1.412 148 I CB 0.518 38.371 38.000 -0.245 0.000 1.396 148 I HN 0.311 nan 8.210 nan 0.000 0.543 149 E N 3.496 123.649 120.200 -0.078 0.000 2.364 149 E HA 0.074 4.423 4.350 -0.000 0.000 0.203 149 E C -0.037 176.570 176.600 0.011 0.000 0.888 149 E CA 0.074 56.462 56.400 -0.019 0.000 0.989 149 E CB 0.530 30.221 29.700 -0.016 0.000 0.985 149 E HN 0.555 nan 8.360 nan 0.000 0.499 150 N N -0.548 118.131 118.700 -0.036 0.000 2.480 150 N HA 0.115 4.855 4.740 -0.000 0.000 0.289 150 N C -0.951 174.538 175.510 -0.035 0.000 1.073 150 N CA -0.286 52.778 53.050 0.023 0.000 0.885 150 N CB 0.667 39.165 38.487 0.018 0.000 1.421 150 N HN -0.099 nan 8.380 nan 0.000 0.503 151 Y N 1.305 121.603 120.300 -0.002 0.000 2.578 151 Y HA 0.136 4.686 4.550 0.000 0.000 0.297 151 Y C 1.271 177.162 175.900 -0.016 0.000 1.176 151 Y CA 0.256 58.350 58.100 -0.010 0.000 1.315 151 Y CB 0.189 38.642 38.460 -0.013 0.000 1.031 151 Y HN 0.574 nan 8.280 nan 0.000 0.524 152 N N 0.048 118.805 118.700 0.096 0.000 2.398 152 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 152 N C -0.365 175.158 175.510 0.023 0.000 1.122 152 N CA 0.591 53.675 53.050 0.056 0.000 0.866 152 N CB 0.128 38.644 38.487 0.047 0.000 0.970 152 N HN 0.286 nan 8.380 nan 0.000 0.462 153 D N 0.071 120.468 120.400 -0.005 0.000 2.472 153 D HA 0.374 5.013 4.640 -0.000 0.000 0.234 153 D C 0.750 177.018 176.300 -0.052 0.000 1.088 153 D CA -0.597 53.394 54.000 -0.016 0.000 0.882 153 D CB 1.070 41.859 40.800 -0.018 0.000 1.037 153 D HN 0.002 nan 8.370 nan 0.000 0.520 154 A N 2.892 125.690 122.820 -0.038 0.000 2.024 154 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 154 A C 1.973 179.452 177.584 -0.176 0.000 1.164 154 A CA 1.672 53.646 52.037 -0.105 0.000 0.643 154 A CB -0.452 18.512 19.000 -0.060 0.000 0.806 154 A HN 0.588 nan 8.150 nan 0.000 0.451 155 T N -0.445 114.104 114.554 -0.009 0.000 2.701 155 T HA -0.179 4.170 4.350 -0.000 0.000 0.263 155 T C 2.113 176.816 174.700 0.004 0.000 1.040 155 T CA 1.544 63.712 62.100 0.114 0.000 1.147 155 T CB -0.291 68.710 68.868 0.222 0.000 0.865 155 T HN 0.749 nan 8.240 nan 0.000 0.426 156 Q N 0.881 120.666 119.800 -0.026 0.000 2.135 156 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 156 Q C 2.198 178.118 176.000 -0.133 0.000 0.981 156 Q CA 1.461 57.228 55.803 -0.060 0.000 0.856 156 Q CB -0.369 28.327 28.738 -0.069 0.000 0.902 156 Q HN 0.351 nan 8.270 nan 0.000 0.425 157 V N 0.765 120.551 119.914 -0.213 0.000 2.490 157 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 157 V C 2.198 178.212 176.094 -0.132 0.000 1.061 157 V CA 2.107 64.258 62.300 -0.247 0.000 1.064 157 V CB -0.454 31.175 31.823 -0.324 0.000 0.670 157 V HN 0.284 nan 8.190 nan 0.000 0.461 158 R N -0.235 120.094 120.500 -0.284 0.000 2.156 158 R HA 0.059 4.398 4.340 -0.000 0.000 0.207 158 R C 1.621 177.873 176.300 -0.080 0.000 1.040 158 R CA 0.784 56.670 56.100 -0.356 0.000 1.013 158 R CB -0.237 29.366 30.300 -1.162 0.000 0.931 158 R HN 0.453 nan 8.270 nan 0.000 0.465 159 D N -1.220 119.192 120.400 0.021 0.000 2.367 159 D HA 0.104 4.744 4.640 -0.000 0.000 0.207 159 D C 0.050 176.389 176.300 0.064 0.000 1.034 159 D CA 0.275 54.344 54.000 0.116 0.000 0.861 159 D CB 0.319 41.230 40.800 0.186 0.000 0.943 159 D HN 0.078 nan 8.370 nan 0.000 0.515 160 c N 0.570 119.176 118.600 0.011 0.000 2.423 160 c HA 0.484 5.054 4.570 -0.000 0.000 0.378 160 c C 0.652 174.720 174.090 -0.037 0.000 1.244 160 c CA -1.004 55.318 56.329 -0.011 0.000 1.978 160 c CB 1.374 43.861 42.510 -0.038 0.000 2.252 160 c HN 0.053 nan 8.230 nan 0.000 0.526 161 R N 1.142 121.611 120.500 -0.050 0.000 2.316 161 R HA 0.296 4.636 4.340 -0.000 0.000 0.314 161 R C -0.561 175.645 176.300 -0.156 0.000 1.069 161 R CA -0.408 55.641 56.100 -0.085 0.000 0.959 161 R CB 0.125 30.383 30.300 -0.069 0.000 0.987 161 R HN 0.471 nan 8.270 nan 0.000 0.446 162 L N 4.843 125.916 121.223 -0.251 0.000 2.530 162 L HA -0.026 4.314 4.340 -0.000 0.000 0.273 162 L C 0.447 177.162 176.870 -0.257 0.000 1.141 162 L CA 0.833 55.462 54.840 -0.352 0.000 0.905 162 L CB 0.160 41.865 42.059 -0.590 0.000 1.202 162 L HN 0.940 nan 8.230 nan 0.000 0.473 163 T N 1.668 116.119 114.554 -0.172 0.000 3.708 163 T HA -0.195 4.154 4.350 -0.000 0.000 0.375 163 T C 1.128 175.737 174.700 -0.152 0.000 0.763 163 T CA 1.175 63.187 62.100 -0.147 0.000 1.915 163 T CB -2.497 66.271 68.868 -0.168 0.000 1.783 163 T HN 2.363 nan 8.240 nan 0.000 0.734 164 G N -1.086 107.637 108.800 -0.129 0.000 2.184 164 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 164 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 164 G C 0.056 174.893 174.900 -0.105 0.000 0.975 164 G CA -0.001 45.036 45.100 -0.104 0.000 0.642 164 G HN 0.911 nan 8.290 nan 0.000 0.536 165 L N 1.196 122.324 121.223 -0.159 0.000 2.462 165 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 165 L C 1.425 178.270 176.870 -0.042 0.000 1.166 165 L CA -0.309 54.445 54.840 -0.143 0.000 0.880 165 L CB 0.451 42.266 42.059 -0.407 0.000 1.142 165 L HN 0.200 nan 8.230 nan 0.000 0.473 166 L N 3.627 124.854 121.223 0.007 0.000 2.628 166 L HA -0.093 4.247 4.340 -0.000 0.000 0.274 166 L C 0.364 177.361 176.870 0.212 0.000 1.209 166 L CA 0.232 55.078 54.840 0.010 0.000 0.930 166 L CB -0.138 41.789 42.059 -0.220 0.000 1.183 166 L HN 0.558 nan 8.230 nan 0.000 0.492 167 D N 3.991 124.528 120.400 0.228 0.000 2.339 167 D HA 0.316 4.956 4.640 -0.000 0.000 0.241 167 D C -0.171 176.280 176.300 0.251 0.000 1.183 167 D CA -0.276 53.859 54.000 0.225 0.000 0.859 167 D CB 0.744 41.623 40.800 0.132 0.000 1.067 167 D HN 0.245 nan 8.370 nan 0.000 0.484 168 L N 2.340 123.617 121.223 0.089 0.000 2.456 168 L HA 0.249 4.589 4.340 -0.000 0.000 0.272 168 L C 0.730 177.545 176.870 -0.091 0.000 1.189 168 L CA -0.589 54.133 54.840 -0.197 0.000 0.846 168 L CB 0.740 42.621 42.059 -0.297 0.000 1.111 168 L HN 0.471 nan 8.230 nan 0.000 0.475 169 A N 4.968 127.697 122.820 -0.152 0.000 2.915 169 A HA 0.299 4.619 4.320 -0.000 0.000 0.292 169 A C 1.041 178.619 177.584 -0.009 0.000 1.632 169 A CA -0.361 51.663 52.037 -0.022 0.000 1.337 169 A CB -0.519 18.479 19.000 -0.003 0.000 1.111 169 A HN 0.826 nan 8.150 nan 0.000 0.569 170 L N 0.930 122.172 121.223 0.032 0.000 2.633 170 L HA -0.108 4.232 4.340 -0.000 0.000 0.235 170 L C 2.464 179.364 176.870 0.049 0.000 1.163 170 L CA 1.021 55.886 54.840 0.042 0.000 0.859 170 L CB -0.222 41.886 42.059 0.082 0.000 0.973 170 L HN 0.854 nan 8.230 nan 0.000 0.451 171 E N 0.993 121.222 120.200 0.048 0.000 2.385 171 E HA -0.060 4.289 4.350 -0.000 0.000 0.194 171 E C 0.327 176.939 176.600 0.019 0.000 1.013 171 E CA 0.104 56.516 56.400 0.019 0.000 0.866 171 E CB 0.130 29.824 29.700 -0.010 0.000 0.832 171 E HN 0.364 nan 8.360 nan 0.000 0.500 172 K N 1.603 122.025 120.400 0.036 0.000 2.322 172 K HA 0.019 4.339 4.320 -0.000 0.000 0.283 172 K C 0.217 176.852 176.600 0.059 0.000 1.042 172 K CA 0.216 56.538 56.287 0.059 0.000 0.958 172 K CB 1.038 33.596 32.500 0.098 0.000 0.984 172 K HN -0.066 nan 8.250 nan 0.000 0.473 173 D N 1.907 122.343 120.400 0.059 0.000 2.178 173 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 173 D C 1.443 177.783 176.300 0.066 0.000 0.980 173 D CA 1.253 55.280 54.000 0.045 0.000 0.842 173 D CB 0.083 40.907 40.800 0.040 0.000 0.948 173 D HN 0.620 nan 8.370 nan 0.000 0.472 174 Y N 0.251 120.562 120.300 0.019 0.000 2.145 174 Y HA -0.159 4.391 4.550 0.001 0.000 0.286 174 Y C 2.018 177.966 175.900 0.081 0.000 1.145 174 Y CA 1.354 59.480 58.100 0.042 0.000 1.148 174 Y CB -0.431 38.059 38.460 0.050 0.000 0.981 174 Y HN -0.076 nan 8.280 nan 0.000 0.507 175 V N 0.766 120.693 119.914 0.022 0.000 2.358 175 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 175 V C 2.368 178.427 176.094 -0.059 0.000 1.047 175 V CA 2.153 64.452 62.300 -0.001 0.000 1.035 175 V CB -0.608 31.215 31.823 -0.000 0.000 0.658 175 V HN 0.319 nan 8.190 nan 0.000 0.452 176 R N 0.138 120.606 120.500 -0.053 0.000 2.091 176 R HA -0.139 4.200 4.340 -0.000 0.000 0.238 176 R C 2.558 178.791 176.300 -0.113 0.000 1.136 176 R CA 1.771 57.831 56.100 -0.067 0.000 0.959 176 R CB -0.494 29.781 30.300 -0.042 0.000 0.856 176 R HN 0.458 nan 8.270 nan 0.000 0.437 177 S N 0.628 116.247 115.700 -0.135 0.000 2.383 177 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 177 S C 1.676 176.149 174.600 -0.212 0.000 1.026 177 S CA 0.947 59.054 58.200 -0.156 0.000 0.981 177 S CB 0.025 63.143 63.200 -0.136 0.000 0.818 177 S HN 0.232 nan 8.310 nan 0.000 0.472 178 K N 1.178 121.402 120.400 -0.294 0.000 2.057 178 K HA 0.053 4.373 4.320 -0.000 0.000 0.207 178 K C 1.983 178.414 176.600 -0.282 0.000 1.049 178 K CA 0.947 57.062 56.287 -0.286 0.000 0.931 178 K CB -0.496 31.816 32.500 -0.314 0.000 0.714 178 K HN 0.404 nan 8.250 nan 0.000 0.440 179 I N 0.969 121.393 120.570 -0.244 0.000 2.252 179 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 179 I C 2.483 178.435 176.117 -0.276 0.000 1.102 179 I CA 0.948 62.059 61.300 -0.313 0.000 1.385 179 I CB -0.371 37.520 38.000 -0.183 0.000 1.064 179 I HN 0.041 nan 8.210 nan 0.000 0.414 180 A N 0.309 122.992 122.820 -0.227 0.000 1.969 180 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 180 A C 2.308 179.756 177.584 -0.227 0.000 1.169 180 A CA 1.712 53.609 52.037 -0.234 0.000 0.635 180 A CB -0.587 18.306 19.000 -0.179 0.000 0.810 180 A HN 0.508 nan 8.150 nan 0.000 0.445 181 E N -1.422 118.669 120.200 -0.181 0.000 2.110 181 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 181 E C 1.814 178.368 176.600 -0.076 0.000 0.988 181 E CA 1.577 57.901 56.400 -0.126 0.000 0.804 181 E CB -0.335 29.302 29.700 -0.105 0.000 0.745 181 E HN 0.721 nan 8.360 nan 0.000 0.458 182 Y N 0.810 120.935 120.300 -0.290 0.000 2.184 182 Y HA -0.095 4.455 4.550 -0.000 0.000 0.290 182 Y C 2.029 177.817 175.900 -0.186 0.000 1.129 182 Y CA 1.782 59.721 58.100 -0.269 0.000 1.144 182 Y CB -0.303 37.767 38.460 -0.651 0.000 0.995 182 Y HN 0.006 nan 8.280 nan 0.000 0.513 183 M N 0.128 119.426 119.600 -0.503 0.000 2.175 183 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 183 M C 1.668 177.808 176.300 -0.266 0.000 1.063 183 M CA 1.445 56.398 55.300 -0.579 0.000 1.119 183 M CB -0.364 31.783 32.600 -0.755 0.000 1.377 183 M HN 0.229 nan 8.290 nan 0.000 0.415 184 N N -0.398 118.139 118.700 -0.271 0.000 2.270 184 N HA -0.154 4.586 4.740 -0.000 0.000 0.181 184 N C 1.549 177.021 175.510 -0.063 0.000 1.016 184 N CA 1.055 53.922 53.050 -0.305 0.000 0.870 184 N CB -0.554 37.558 38.487 -0.625 0.000 0.979 184 N HN 0.568 nan 8.380 nan 0.000 0.431 185 H N 0.690 119.685 119.070 -0.125 0.000 2.321 185 H HA -0.006 4.550 4.556 -0.000 0.000 0.300 185 H C 1.978 177.300 175.328 -0.009 0.000 1.087 185 H CA 1.027 57.055 56.048 -0.033 0.000 1.319 185 H CB 0.112 29.866 29.762 -0.012 0.000 1.379 185 H HN 0.077 nan 8.280 nan 0.000 0.501 186 L N 0.421 121.581 121.223 -0.105 0.000 2.056 186 L HA -0.186 4.153 4.340 -0.000 0.000 0.207 186 L C 2.696 179.558 176.870 -0.013 0.000 1.078 186 L CA 0.919 55.684 54.840 -0.124 0.000 0.749 186 L CB -0.282 41.686 42.059 -0.151 0.000 0.901 186 L HN 0.362 nan 8.230 nan 0.000 0.433 187 I N -0.001 120.595 120.570 0.043 0.000 2.127 187 I HA -0.308 3.861 4.170 -0.000 0.000 0.241 187 I C 2.024 178.206 176.117 0.108 0.000 1.075 187 I CA 1.350 62.679 61.300 0.048 0.000 1.334 187 I CB -0.465 37.578 38.000 0.072 0.000 1.040 187 I HN 0.280 nan 8.210 nan 0.000 0.405 188 D N 0.821 121.314 120.400 0.154 0.000 2.218 188 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 188 D C 2.147 178.573 176.300 0.210 0.000 0.976 188 D CA 1.149 55.272 54.000 0.206 0.000 0.853 188 D CB -0.141 40.797 40.800 0.230 0.000 0.939 188 D HN 0.388 nan 8.370 nan 0.000 0.481 189 I N -0.582 120.089 120.570 0.168 0.000 2.546 189 I HA -0.046 4.123 4.170 -0.000 0.000 0.255 189 I C 1.680 177.916 176.117 0.199 0.000 1.163 189 I CA 1.098 62.495 61.300 0.163 0.000 1.457 189 I CB 0.183 38.228 38.000 0.075 0.000 1.092 189 I HN 0.165 nan 8.210 nan 0.000 0.434 190 G N -0.029 108.867 108.800 0.161 0.000 2.370 190 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.174 190 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.174 190 G C 0.199 175.068 174.900 -0.052 0.000 1.002 190 G CA -0.430 44.753 45.100 0.138 0.000 0.730 190 G HN 0.023 nan 8.290 nan 0.000 0.497 191 V N 1.481 121.306 119.914 -0.147 0.000 2.673 191 V HA 0.392 4.512 4.120 -0.000 0.000 0.303 191 V C 1.692 177.535 176.094 -0.419 0.000 1.046 191 V CA 1.285 63.383 62.300 -0.336 0.000 1.126 191 V CB 1.443 33.029 31.823 -0.395 0.000 0.934 191 V HN 0.843 nan 8.190 nan 0.000 0.487 192 A N 3.528 126.018 122.820 -0.549 0.000 2.195 192 A HA 0.643 4.963 4.320 -0.000 0.000 0.210 192 A C 0.942 178.342 177.584 -0.306 0.000 1.165 192 A CA 0.831 52.533 52.037 -0.557 0.000 0.806 192 A CB -0.011 18.691 19.000 -0.497 0.000 0.847 192 A HN 1.301 nan 8.150 nan 0.000 0.482 193 G N -2.032 106.537 108.800 -0.385 0.000 2.321 193 G HA2 0.481 4.441 3.960 -0.000 0.000 0.296 193 G HA3 0.481 4.441 3.960 -0.000 0.000 0.296 193 G C -1.558 173.024 174.900 -0.530 0.000 1.287 193 G CA -0.699 44.345 45.100 -0.094 0.000 0.846 193 G HN 0.210 nan 8.290 nan 0.000 0.508 194 F N -0.658 119.276 119.950 -0.026 0.000 2.613 194 F HA 0.716 5.243 4.527 0.000 0.000 0.310 194 F C 0.173 175.565 175.800 -0.679 0.000 1.085 194 F CA -0.877 56.985 58.000 -0.229 0.000 0.945 194 F CB 2.475 41.345 39.000 -0.217 0.000 1.298 194 F HN 0.512 nan 8.300 nan 0.000 0.455 195 R N 2.640 122.840 120.500 -0.500 0.000 2.229 195 R HA 0.578 4.918 4.340 -0.000 0.000 0.332 195 R C -1.621 174.507 176.300 -0.287 0.000 0.989 195 R CA -0.416 55.171 56.100 -0.855 0.000 0.842 195 R CB 0.547 30.540 30.300 -0.512 0.000 1.119 195 R HN 0.795 nan 8.270 nan 0.000 0.456 196 L N 4.765 125.840 121.223 -0.247 0.000 2.302 196 L HA 0.176 4.516 4.340 -0.000 0.000 0.285 196 L C 0.052 176.911 176.870 -0.020 0.000 1.090 196 L CA -0.589 54.192 54.840 -0.098 0.000 0.866 196 L CB 0.734 42.735 42.059 -0.097 0.000 1.244 196 L HN 0.675 nan 8.230 nan 0.000 0.435 197 D N 3.618 124.053 120.400 0.060 0.000 2.488 197 D HA 0.219 4.859 4.640 -0.000 0.000 0.238 197 D C 0.931 177.319 176.300 0.147 0.000 1.138 197 D CA 0.694 54.785 54.000 0.153 0.000 0.873 197 D CB 0.882 41.846 40.800 0.273 0.000 1.183 197 D HN 0.723 nan 8.370 nan 0.000 0.458 198 A N 2.859 125.785 122.820 0.177 0.000 2.687 198 A HA -0.235 4.085 4.320 -0.000 0.000 0.299 198 A C 1.768 179.428 177.584 0.126 0.000 1.497 198 A CA 1.151 53.328 52.037 0.233 0.000 0.751 198 A CB -2.046 17.173 19.000 0.365 0.000 1.048 198 A HN 0.447 nan 8.150 nan 0.000 0.464 199 S N -0.660 115.028 115.700 -0.020 0.000 2.423 199 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 199 S C 1.811 176.259 174.600 -0.254 0.000 1.014 199 S CA 1.339 59.457 58.200 -0.138 0.000 0.965 199 S CB -0.101 62.929 63.200 -0.283 0.000 0.785 199 S HN 0.854 nan 8.310 nan 0.000 0.495 200 K N 0.862 121.071 120.400 -0.319 0.000 2.209 200 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 200 K C 1.010 177.383 176.600 -0.378 0.000 1.048 200 K CA 1.147 57.219 56.287 -0.359 0.000 0.940 200 K CB -0.117 32.124 32.500 -0.432 0.000 0.729 200 K HN 0.448 nan 8.250 nan 0.000 0.451 201 H N -0.400 118.653 119.070 -0.028 0.000 2.533 201 H HA 0.179 4.735 4.556 -0.000 0.000 0.271 201 H C 0.042 175.325 175.328 -0.076 0.000 1.000 201 H CA 0.338 56.349 56.048 -0.061 0.000 1.149 201 H CB 0.056 29.816 29.762 -0.004 0.000 1.375 201 H HN 0.180 nan 8.280 nan 0.000 0.582 202 M N -0.231 119.386 119.600 0.028 0.000 2.465 202 M HA 0.184 4.664 4.480 -0.000 0.000 0.316 202 M C -0.938 175.400 176.300 0.064 0.000 1.121 202 M CA -0.832 54.507 55.300 0.065 0.000 0.934 202 M CB 2.318 35.002 32.600 0.140 0.000 1.692 202 M HN 0.003 nan 8.290 nan 0.000 0.444 203 W N 2.660 124.018 121.300 0.096 0.000 2.216 203 W HA 0.207 4.867 4.660 0.000 0.000 0.326 203 W C -1.734 174.776 176.519 -0.015 0.000 1.319 203 W CA -0.898 56.461 57.345 0.022 0.000 1.213 203 W CB -0.164 29.293 29.460 -0.005 0.000 1.171 203 W HN 0.499 nan 8.180 nan 0.000 0.557 204 P HA -0.219 nan 4.420 nan 0.000 0.217 204 P C 1.665 178.986 177.300 0.035 0.000 1.151 204 P CA 2.442 65.454 63.100 -0.148 0.000 0.849 204 P CB 0.111 31.563 31.700 -0.413 0.000 0.787 205 G N -0.866 107.984 108.800 0.083 0.000 2.448 205 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 205 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 205 G C 1.204 176.141 174.900 0.061 0.000 1.135 205 G CA 0.577 45.706 45.100 0.048 0.000 0.784 205 G HN 0.186 nan 8.290 nan 0.000 0.543 206 D N 0.574 121.049 120.400 0.127 0.000 2.162 206 D HA 0.003 4.643 4.640 -0.000 0.000 0.203 206 D C 2.556 178.900 176.300 0.074 0.000 0.967 206 D CA 0.217 54.279 54.000 0.103 0.000 0.840 206 D CB 0.017 40.919 40.800 0.170 0.000 0.972 206 D HN 0.333 nan 8.370 nan 0.000 0.482 207 I N 1.029 121.659 120.570 0.101 0.000 2.226 207 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 207 I C 2.517 178.651 176.117 0.030 0.000 1.100 207 I CA 0.916 62.257 61.300 0.068 0.000 1.374 207 I CB -0.182 37.896 38.000 0.130 0.000 1.057 207 I HN -0.071 nan 8.210 nan 0.000 0.413 208 K N 1.722 122.146 120.400 0.040 0.000 2.063 208 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 208 K C 2.112 178.712 176.600 -0.000 0.000 1.048 208 K CA 1.897 58.195 56.287 0.019 0.000 0.928 208 K CB -0.178 32.337 32.500 0.024 0.000 0.713 208 K HN 0.308 nan 8.250 nan 0.000 0.442 209 A N 1.232 124.053 122.820 0.001 0.000 1.972 209 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 209 A C 2.236 179.804 177.584 -0.028 0.000 1.169 209 A CA 1.323 53.354 52.037 -0.011 0.000 0.635 209 A CB -0.408 18.588 19.000 -0.007 0.000 0.810 209 A HN 0.353 nan 8.150 nan 0.000 0.446 210 I N -0.439 120.108 120.570 -0.038 0.000 2.286 210 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 210 I C 2.197 178.256 176.117 -0.096 0.000 1.104 210 I CA 0.844 62.099 61.300 -0.075 0.000 1.397 210 I CB -0.310 37.635 38.000 -0.092 0.000 1.072 210 I HN 0.262 nan 8.210 nan 0.000 0.417 211 L N 0.252 121.427 121.223 -0.081 0.000 2.131 211 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 211 L C 1.928 178.763 176.870 -0.057 0.000 1.092 211 L CA 1.067 55.856 54.840 -0.085 0.000 0.759 211 L CB -0.698 41.321 42.059 -0.065 0.000 0.903 211 L HN 0.281 nan 8.230 nan 0.000 0.435 212 D N 0.457 120.835 120.400 -0.038 0.000 2.309 212 D HA -0.132 4.507 4.640 -0.000 0.000 0.212 212 D C 1.873 178.162 176.300 -0.017 0.000 0.968 212 D CA 1.051 55.039 54.000 -0.020 0.000 0.882 212 D CB 0.141 40.934 40.800 -0.012 0.000 0.918 212 D HN 0.361 nan 8.370 nan 0.000 0.503 213 K N -0.236 120.140 120.400 -0.040 0.000 2.393 213 K HA 0.142 4.462 4.320 -0.000 0.000 0.193 213 K C 0.708 177.279 176.600 -0.048 0.000 1.026 213 K CA -0.048 56.216 56.287 -0.038 0.000 1.064 213 K CB 0.707 33.165 32.500 -0.069 0.000 0.833 213 K HN 0.086 nan 8.250 nan 0.000 0.521 214 L N 1.330 122.514 121.223 -0.065 0.000 2.395 214 L HA 0.169 4.509 4.340 -0.000 0.000 0.269 214 L C 0.665 177.573 176.870 0.062 0.000 1.133 214 L CA -0.376 54.413 54.840 -0.084 0.000 0.812 214 L CB 0.423 42.421 42.059 -0.103 0.000 1.125 214 L HN 0.188 nan 8.230 nan 0.000 0.452 215 H N 0.670 119.730 119.070 -0.016 0.000 2.509 215 H HA 0.183 4.739 4.556 -0.000 0.000 0.360 215 H C -0.336 174.989 175.328 -0.004 0.000 1.398 215 H CA -0.748 55.298 56.048 -0.003 0.000 1.429 215 H CB 0.735 30.503 29.762 0.010 0.000 1.611 215 H HN 0.579 nan 8.280 nan 0.000 0.606 216 N N -0.110 118.676 118.700 0.143 0.000 2.463 216 N HA 0.169 4.908 4.740 -0.000 0.000 0.270 216 N C -0.424 175.120 175.510 0.058 0.000 1.205 216 N CA -0.666 52.421 53.050 0.061 0.000 0.974 216 N CB 0.946 39.458 38.487 0.040 0.000 1.197 216 N HN 0.191 nan 8.380 nan 0.000 0.504 217 L N 1.080 122.285 121.223 -0.029 0.000 2.492 217 L HA -0.009 4.331 4.340 -0.000 0.000 0.280 217 L C 1.094 178.050 176.870 0.143 0.000 1.240 217 L CA -0.118 54.667 54.840 -0.092 0.000 0.831 217 L CB 0.031 41.750 42.059 -0.566 0.000 1.100 217 L HN 0.620 nan 8.230 nan 0.000 0.505 218 N N 1.133 120.008 118.700 0.292 0.000 2.386 218 N HA -0.095 4.645 4.740 -0.000 0.000 0.273 218 N C 0.955 176.673 175.510 0.348 0.000 1.331 218 N CA 0.282 53.538 53.050 0.344 0.000 0.891 218 N CB 0.835 39.601 38.487 0.465 0.000 1.139 218 N HN 0.665 nan 8.380 nan 0.000 0.487 219 S N 2.877 118.679 115.700 0.171 0.000 2.584 219 S HA -0.038 4.432 4.470 -0.000 0.000 0.240 219 S C 1.125 175.738 174.600 0.022 0.000 0.975 219 S CA 0.267 58.534 58.200 0.111 0.000 0.949 219 S CB 0.022 63.253 63.200 0.052 0.000 0.761 219 S HN 0.566 nan 8.310 nan 0.000 0.536 220 N N 0.117 118.778 118.700 -0.065 0.000 2.376 220 N HA 0.060 4.800 4.740 -0.000 0.000 0.177 220 N C 0.682 175.978 175.510 -0.356 0.000 1.024 220 N CA 0.838 53.704 53.050 -0.307 0.000 0.893 220 N CB -0.040 38.087 38.487 -0.600 0.000 0.980 220 N HN 0.601 nan 8.380 nan 0.000 0.439 221 W N -0.428 120.797 121.300 -0.124 0.000 2.873 221 W HA 0.303 4.962 4.660 -0.000 0.000 0.282 221 W C -0.149 176.024 176.519 -0.576 0.000 1.118 221 W CA -0.187 56.916 57.345 -0.403 0.000 1.480 221 W CB 0.117 29.190 29.460 -0.646 0.000 0.954 221 W HN -0.182 nan 8.180 nan 0.000 0.591 222 F N 0.706 120.772 119.950 0.194 0.000 2.538 222 F HA 0.471 4.998 4.527 -0.000 0.000 0.325 222 F C -1.909 173.927 175.800 0.061 0.000 1.066 222 F CA -2.689 55.375 58.000 0.106 0.000 0.946 222 F CB -0.031 39.022 39.000 0.089 0.000 1.199 222 F HN -0.462 nan 8.300 nan 0.000 0.473 223 P HA 0.152 nan 4.420 nan 0.000 0.268 223 P C -0.892 176.481 177.300 0.122 0.000 1.208 223 P CA -0.288 62.892 63.100 0.134 0.000 0.777 223 P CB 0.420 32.186 31.700 0.109 0.000 0.875 224 A N 2.219 125.085 122.820 0.077 0.000 2.498 224 A HA 0.424 4.744 4.320 -0.000 0.000 0.239 224 A C 1.478 179.093 177.584 0.053 0.000 1.068 224 A CA 0.659 52.732 52.037 0.059 0.000 0.766 224 A CB -1.289 17.733 19.000 0.036 0.000 1.003 224 A HN 0.896 nan 8.150 nan 0.000 0.497 225 G N 1.362 110.188 108.800 0.044 0.000 2.159 225 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.256 225 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.256 225 G C 0.428 175.347 174.900 0.032 0.000 0.977 225 G CA 0.377 45.497 45.100 0.034 0.000 0.652 225 G HN 1.185 nan 8.290 nan 0.000 0.531 226 S N 0.982 116.704 115.700 0.037 0.000 2.488 226 S HA 0.379 4.849 4.470 -0.000 0.000 0.278 226 S C 0.600 175.181 174.600 -0.031 0.000 1.259 226 S CA 0.114 58.318 58.200 0.007 0.000 1.061 226 S CB 0.931 64.133 63.200 0.004 0.000 0.910 226 S HN 0.439 nan 8.310 nan 0.000 0.491 227 K N 4.400 124.785 120.400 -0.025 0.000 2.143 227 K HA 0.330 4.649 4.320 -0.000 0.000 0.272 227 K C -2.344 174.233 176.600 -0.037 0.000 1.001 227 K CA -2.076 54.196 56.287 -0.025 0.000 0.915 227 K CB 0.663 33.150 32.500 -0.021 0.000 1.047 227 K HN 0.346 nan 8.250 nan 0.000 0.458 228 P HA -0.081 nan 4.420 nan 0.000 0.268 228 P C -0.549 176.822 177.300 0.118 0.000 1.205 228 P CA -0.178 62.934 63.100 0.020 0.000 0.771 228 P CB 0.365 32.134 31.700 0.115 0.000 0.858 229 F N 4.425 124.369 119.950 -0.010 0.000 2.538 229 F HA 0.200 4.727 4.527 -0.000 0.000 0.371 229 F C -0.104 175.744 175.800 0.081 0.000 1.087 229 F CA -0.407 57.601 58.000 0.013 0.000 1.250 229 F CB -0.062 38.970 39.000 0.053 0.000 1.110 229 F HN 0.116 nan 8.300 nan 0.000 0.570 230 I N 8.544 128.912 120.570 -0.337 0.000 2.439 230 I HA 0.167 4.337 4.170 -0.000 0.000 0.285 230 I C -1.297 174.561 176.117 -0.432 0.000 1.021 230 I CA -0.738 60.363 61.300 -0.331 0.000 1.091 230 I CB 1.133 39.031 38.000 -0.170 0.000 1.242 230 I HN 0.533 nan 8.210 nan 0.000 0.439 231 Y N 3.174 123.153 120.300 -0.535 0.000 2.326 231 Y HA 0.684 5.234 4.550 -0.000 0.000 0.331 231 Y C -0.199 175.604 175.900 -0.163 0.000 0.962 231 Y CA -1.365 56.509 58.100 -0.377 0.000 1.167 231 Y CB 0.706 38.898 38.460 -0.448 0.000 1.148 231 Y HN 0.479 nan 8.280 nan 0.000 0.463 232 Q N 2.862 122.661 119.800 -0.001 0.000 2.293 232 Q HA 0.105 4.445 4.340 -0.000 0.000 0.263 232 Q C -0.318 175.684 176.000 0.003 0.000 1.002 232 Q CA -0.183 55.593 55.803 -0.046 0.000 0.910 232 Q CB 0.919 29.616 28.738 -0.069 0.000 1.185 232 Q HN 0.754 nan 8.270 nan 0.000 0.401 233 E N 3.323 123.526 120.200 0.006 0.000 2.070 233 E HA 0.186 4.536 4.350 -0.000 0.000 0.282 233 E C -1.378 175.242 176.600 0.032 0.000 1.104 233 E CA -0.226 56.248 56.400 0.123 0.000 0.876 233 E CB 0.412 30.203 29.700 0.151 0.000 1.055 233 E HN 0.295 nan 8.360 nan 0.000 0.401 234 V N 7.080 127.044 119.914 0.084 0.000 2.482 234 V HA 0.276 4.396 4.120 -0.000 0.000 0.295 234 V C 0.002 176.132 176.094 0.060 0.000 1.026 234 V CA -0.660 61.601 62.300 -0.065 0.000 0.856 234 V CB 1.611 33.300 31.823 -0.223 0.000 1.001 234 V HN 0.633 nan 8.190 nan 0.000 0.424 235 I N 4.135 124.624 120.570 -0.136 0.000 2.256 235 I HA 0.278 4.448 4.170 -0.000 0.000 0.294 235 I C -0.335 175.716 176.117 -0.111 0.000 1.127 235 I CA 0.220 61.349 61.300 -0.286 0.000 1.247 235 I CB 0.413 38.069 38.000 -0.573 0.000 1.460 235 I HN 0.573 nan 8.210 nan 0.000 0.511 236 D N 7.421 127.832 120.400 0.019 0.000 2.453 236 D HA 0.486 5.126 4.640 -0.000 0.000 0.238 236 D C -0.276 176.057 176.300 0.055 0.000 1.088 236 D CA -0.232 53.786 54.000 0.030 0.000 0.854 236 D CB 0.987 41.820 40.800 0.056 0.000 1.076 236 D HN 0.285 nan 8.370 nan 0.000 0.533 237 L N 2.291 123.529 121.223 0.026 0.000 2.695 237 L HA 0.645 4.985 4.340 -0.000 0.000 0.211 237 L C 2.013 178.907 176.870 0.040 0.000 1.839 237 L CA -0.750 54.118 54.840 0.047 0.000 2.948 237 L CB -0.859 41.217 42.059 0.029 0.000 2.799 237 L HN 0.431 nan 8.230 nan 0.000 0.731 238 G N -0.448 108.369 108.800 0.029 0.000 2.393 238 G HA2 0.078 4.038 3.960 -0.000 0.000 0.151 238 G HA3 0.078 4.038 3.960 -0.000 0.000 0.151 238 G C 0.333 175.241 174.900 0.014 0.000 1.696 238 G CA 0.266 45.380 45.100 0.022 0.000 1.004 238 G HN 0.585 nan 8.290 nan 0.000 0.430 239 G N 0.440 109.245 108.800 0.008 0.000 2.444 239 G HA2 0.494 4.454 3.960 -0.000 0.000 0.303 239 G HA3 0.494 4.454 3.960 -0.000 0.000 0.303 239 G C -0.252 174.656 174.900 0.013 0.000 1.032 239 G CA 0.341 45.447 45.100 0.009 0.000 1.137 239 G HN 0.821 nan 8.290 nan 0.000 0.430 240 E N 2.438 122.649 120.200 0.019 0.000 2.400 240 E HA 0.288 4.638 4.350 -0.000 0.000 0.285 240 E C -2.310 174.307 176.600 0.029 0.000 1.005 240 E CA -1.458 54.961 56.400 0.032 0.000 0.816 240 E CB 2.004 31.729 29.700 0.041 0.000 1.220 240 E HN 0.169 nan 8.360 nan 0.000 0.426 241 P HA -0.183 nan 4.420 nan 0.000 0.217 241 P C 0.611 177.920 177.300 0.015 0.000 1.158 241 P CA 1.213 64.325 63.100 0.020 0.000 0.887 241 P CB 0.010 31.722 31.700 0.019 0.000 0.792 242 I N 0.748 121.328 120.570 0.018 0.000 2.452 242 I HA 0.079 4.249 4.170 -0.000 0.000 0.287 242 I C 0.894 177.034 176.117 0.038 0.000 1.079 242 I CA -0.054 61.260 61.300 0.024 0.000 1.387 242 I CB 0.306 38.319 38.000 0.020 0.000 1.404 242 I HN -0.162 nan 8.210 nan 0.000 0.522 243 K N 4.374 124.795 120.400 0.035 0.000 2.207 243 K HA 0.275 4.595 4.320 -0.000 0.000 0.255 243 K C 0.869 177.499 176.600 0.051 0.000 0.941 243 K CA -0.457 55.842 56.287 0.019 0.000 0.825 243 K CB 1.854 34.337 32.500 -0.029 0.000 1.119 243 K HN 0.645 nan 8.250 nan 0.000 0.430 244 S N -0.070 115.656 115.700 0.043 0.000 2.469 244 S HA -0.167 4.303 4.470 -0.000 0.000 0.238 244 S C 1.642 176.139 174.600 -0.172 0.000 0.998 244 S CA 1.446 59.695 58.200 0.082 0.000 0.957 244 S CB -0.308 62.966 63.200 0.123 0.000 0.764 244 S HN 0.623 nan 8.310 nan 0.000 0.514 245 S N 1.843 117.233 115.700 -0.518 0.000 2.447 245 S HA -0.099 4.370 4.470 -0.000 0.000 0.233 245 S C 1.113 175.266 174.600 -0.745 0.000 1.006 245 S CA 0.945 58.331 58.200 -1.357 0.000 0.957 245 S CB -0.576 62.143 63.200 -0.802 0.000 0.773 245 S HN 0.413 nan 8.310 nan 0.000 0.507 246 D N 0.614 120.829 120.400 -0.308 0.000 2.350 246 D HA -0.008 4.632 4.640 -0.000 0.000 0.216 246 D C 0.451 176.555 176.300 -0.327 0.000 0.968 246 D CA 0.854 54.688 54.000 -0.276 0.000 0.894 246 D CB -0.264 40.353 40.800 -0.305 0.000 0.909 246 D HN 0.635 nan 8.370 nan 0.000 0.520 247 Y N -1.207 119.042 120.300 -0.085 0.000 2.507 247 Y HA 0.141 4.691 4.550 -0.000 0.000 0.254 247 Y C 1.352 177.411 175.900 0.265 0.000 1.171 247 Y CA -0.465 57.682 58.100 0.078 0.000 1.238 247 Y CB -0.009 38.503 38.460 0.086 0.000 1.148 247 Y HN -0.158 nan 8.280 nan 0.000 0.525 248 F N -0.050 120.029 119.950 0.214 0.000 2.269 248 F HA -0.072 4.455 4.527 -0.000 0.000 0.301 248 F C 2.284 178.238 175.800 0.255 0.000 1.082 248 F CA 0.997 59.125 58.000 0.213 0.000 1.360 248 F CB -1.218 37.859 39.000 0.128 0.000 1.041 248 F HN 0.125 nan 8.300 nan 0.000 0.512 249 G N -0.668 108.348 108.800 0.360 0.000 2.679 249 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.212 249 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.212 249 G C 1.452 176.483 174.900 0.219 0.000 1.137 249 G CA 0.440 45.700 45.100 0.267 0.000 0.787 249 G HN 0.274 nan 8.290 nan 0.000 0.534 250 N N 0.046 118.877 118.700 0.219 0.000 2.294 250 N HA 0.249 4.989 4.740 -0.000 0.000 0.186 250 N C 1.094 176.596 175.510 -0.013 0.000 1.107 250 N CA 0.932 54.042 53.050 0.099 0.000 0.884 250 N CB 1.529 40.095 38.487 0.132 0.000 1.030 250 N HN 0.424 nan 8.380 nan 0.000 0.482 251 G N 0.068 108.929 108.800 0.102 0.000 2.332 251 G HA2 0.048 4.008 3.960 -0.000 0.000 0.265 251 G HA3 0.048 4.008 3.960 -0.000 0.000 0.265 251 G C -1.264 173.809 174.900 0.288 0.000 1.329 251 G CA -0.904 44.159 45.100 -0.062 0.000 0.949 251 G HN -0.028 nan 8.290 nan 0.000 0.476 252 R N -0.955 119.647 120.500 0.170 0.000 2.652 252 R HA 0.619 4.959 4.340 -0.000 0.000 0.271 252 R C 0.042 176.446 176.300 0.173 0.000 1.129 252 R CA 0.152 56.355 56.100 0.171 0.000 1.200 252 R CB 1.165 31.524 30.300 0.099 0.000 1.146 252 R HN 1.177 nan 8.270 nan 0.000 0.581 253 V N -2.826 117.204 119.914 0.193 0.000 2.925 253 V HA 0.392 4.512 4.120 -0.000 0.000 0.311 253 V C -0.052 176.148 176.094 0.177 0.000 1.104 253 V CA -1.155 61.266 62.300 0.202 0.000 0.954 253 V CB 1.783 33.776 31.823 0.285 0.000 1.022 253 V HN 0.920 nan 8.190 nan 0.000 0.427 254 T N -0.100 114.572 114.554 0.197 0.000 2.888 254 T HA 0.390 4.739 4.350 -0.000 0.000 0.301 254 T C -0.064 174.716 174.700 0.133 0.000 1.001 254 T CA 0.125 62.345 62.100 0.199 0.000 1.147 254 T CB 0.852 69.860 68.868 0.233 0.000 0.931 254 T HN 1.055 nan 8.240 nan 0.000 0.541 255 E N 2.294 122.463 120.200 -0.051 0.000 2.079 255 E HA 0.312 4.662 4.350 -0.000 0.000 0.252 255 E C -0.364 176.004 176.600 -0.386 0.000 0.992 255 E CA -1.067 55.244 56.400 -0.147 0.000 0.829 255 E CB -0.614 28.982 29.700 -0.174 0.000 1.158 255 E HN 0.665 nan 8.360 nan 0.000 0.435 256 F N 2.232 122.098 119.950 -0.141 0.000 2.546 256 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 256 F C 1.676 177.355 175.800 -0.202 0.000 1.120 256 F CA 0.764 58.671 58.000 -0.155 0.000 1.456 256 F CB 0.198 39.203 39.000 0.008 0.000 1.088 256 F HN 0.361 nan 8.300 nan 0.000 0.572 257 K N -1.223 119.100 120.400 -0.128 0.000 2.288 257 K HA -0.172 4.148 4.320 -0.000 0.000 0.201 257 K C 1.687 178.036 176.600 -0.417 0.000 1.048 257 K CA 0.757 56.950 56.287 -0.158 0.000 0.956 257 K CB -0.274 32.182 32.500 -0.072 0.000 0.746 257 K HN 0.241 nan 8.250 nan 0.000 0.461 258 Y N 1.296 121.064 120.300 -0.887 0.000 2.070 258 Y HA -0.190 4.359 4.550 -0.000 0.000 0.279 258 Y C 2.401 178.134 175.900 -0.278 0.000 1.134 258 Y CA 2.021 59.636 58.100 -0.810 0.000 1.113 258 Y CB -0.737 37.242 38.460 -0.801 0.000 0.981 258 Y HN 0.028 nan 8.280 nan 0.000 0.487 259 G N -0.689 108.055 108.800 -0.093 0.000 2.422 259 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.218 259 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.218 259 G C 1.774 176.651 174.900 -0.039 0.000 1.140 259 G CA 0.855 45.928 45.100 -0.045 0.000 0.775 259 G HN 0.618 nan 8.290 nan 0.000 0.545 260 A N 0.932 123.740 122.820 -0.020 0.000 1.858 260 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 260 A C 2.377 179.970 177.584 0.015 0.000 1.190 260 A CA 1.884 53.932 52.037 0.019 0.000 0.617 260 A CB -0.243 18.800 19.000 0.071 0.000 0.827 260 A HN 0.201 nan 8.150 nan 0.000 0.443 261 K N -0.757 119.695 120.400 0.086 0.000 2.167 261 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 261 K C 1.804 178.381 176.600 -0.038 0.000 1.052 261 K CA 0.755 57.141 56.287 0.166 0.000 0.956 261 K CB -0.769 31.997 32.500 0.443 0.000 0.735 261 K HN 0.418 nan 8.250 nan 0.000 0.451 262 L N 0.916 122.063 121.223 -0.127 0.000 2.141 262 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 262 L C 1.984 178.632 176.870 -0.371 0.000 1.094 262 L CA 1.868 56.436 54.840 -0.452 0.000 0.763 262 L CB -0.957 40.846 42.059 -0.427 0.000 0.908 262 L HN 0.204 nan 8.230 nan 0.000 0.437 263 G N -1.650 106.997 108.800 -0.256 0.000 2.404 263 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.215 263 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.215 263 G C 1.516 176.140 174.900 -0.459 0.000 1.174 263 G CA 1.237 46.149 45.100 -0.313 0.000 0.780 263 G HN 0.498 nan 8.290 nan 0.000 0.537 264 T N -0.738 113.591 114.554 -0.376 0.000 2.821 264 T HA -0.066 4.283 4.350 -0.000 0.000 0.267 264 T C 2.288 176.855 174.700 -0.222 0.000 1.046 264 T CA 1.354 63.239 62.100 -0.358 0.000 1.139 264 T CB -0.447 68.410 68.868 -0.019 0.000 0.871 264 T HN 0.000 nan 8.240 nan 0.000 0.454 265 V N 1.819 121.612 119.914 -0.200 0.000 2.261 265 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 265 V C 2.766 178.680 176.094 -0.300 0.000 1.047 265 V CA 1.352 63.523 62.300 -0.215 0.000 1.015 265 V CB -0.578 31.031 31.823 -0.356 0.000 0.642 265 V HN 0.446 nan 8.190 nan 0.000 0.446 266 I N -0.076 120.265 120.570 -0.381 0.000 2.361 266 I HA -0.158 4.011 4.170 -0.000 0.000 0.251 266 I C 2.436 178.395 176.117 -0.264 0.000 1.133 266 I CA 1.561 62.651 61.300 -0.350 0.000 1.413 266 I CB -1.156 36.630 38.000 -0.357 0.000 1.073 266 I HN 0.324 nan 8.210 nan 0.000 0.424 267 R N 0.941 121.249 120.500 -0.320 0.000 2.299 267 R HA 0.018 4.358 4.340 -0.000 0.000 0.197 267 R C 0.280 176.555 176.300 -0.040 0.000 0.971 267 R CA -0.018 55.922 56.100 -0.267 0.000 1.030 267 R CB 0.072 29.947 30.300 -0.708 0.000 0.932 267 R HN 0.253 nan 8.270 nan 0.000 0.477 268 K N -0.391 119.972 120.400 -0.062 0.000 3.117 268 K HA -0.162 4.158 4.320 -0.000 0.000 0.269 268 K C -1.025 175.718 176.600 0.238 0.000 1.098 268 K CA 0.384 56.696 56.287 0.043 0.000 0.785 268 K CB -1.071 31.435 32.500 0.010 0.000 1.242 268 K HN 0.130 nan 8.250 nan 0.000 0.491 269 W N 1.151 122.437 121.300 -0.022 0.000 2.202 269 W HA 0.182 4.842 4.660 -0.000 0.000 0.332 269 W C 1.371 177.900 176.519 0.016 0.000 1.263 269 W CA -0.712 56.631 57.345 -0.003 0.000 1.223 269 W CB -0.056 29.405 29.460 0.001 0.000 1.128 269 W HN 0.301 nan 8.180 nan 0.000 0.573 270 N N 0.886 119.702 118.700 0.194 0.000 2.716 270 N HA -0.246 4.494 4.740 -0.000 0.000 0.250 270 N C 0.916 176.501 175.510 0.126 0.000 1.033 270 N CA 2.090 55.211 53.050 0.119 0.000 0.727 270 N CB -0.981 37.582 38.487 0.125 0.000 0.950 270 N HN 0.924 nan 8.380 nan 0.000 0.541 271 G N -1.685 107.184 108.800 0.116 0.000 2.184 271 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 271 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 271 G C 0.013 174.992 174.900 0.131 0.000 0.975 271 G CA 0.588 45.753 45.100 0.110 0.000 0.642 271 G HN 0.668 nan 8.290 nan 0.000 0.536 272 E N 0.808 121.105 120.200 0.161 0.000 2.404 272 E HA 0.462 4.812 4.350 -0.000 0.000 0.261 272 E C 0.589 177.116 176.600 -0.122 0.000 1.074 272 E CA 0.612 57.109 56.400 0.161 0.000 0.917 272 E CB 0.400 30.231 29.700 0.218 0.000 0.965 272 E HN 0.653 nan 8.360 nan 0.000 0.433 273 K N 1.473 121.626 120.400 -0.412 0.000 2.556 273 K HA 0.267 4.587 4.320 -0.000 0.000 0.274 273 K C 0.294 176.650 176.600 -0.406 0.000 0.966 273 K CA -0.801 55.222 56.287 -0.439 0.000 0.865 273 K CB 0.832 33.038 32.500 -0.491 0.000 1.444 273 K HN 0.340 nan 8.250 nan 0.000 0.433 274 M N 1.121 120.524 119.600 -0.329 0.000 2.267 274 M HA -0.184 4.295 4.480 -0.000 0.000 0.263 274 M C 1.859 178.126 176.300 -0.055 0.000 1.063 274 M CA 2.269 57.391 55.300 -0.295 0.000 1.090 274 M CB -0.503 31.890 32.600 -0.345 0.000 1.392 274 M HN 0.856 nan 8.290 nan 0.000 0.422 275 S N -0.207 115.463 115.700 -0.051 0.000 2.440 275 S HA -0.168 4.301 4.470 -0.000 0.000 0.238 275 S C 1.558 176.341 174.600 0.305 0.000 1.010 275 S CA 0.926 59.243 58.200 0.195 0.000 0.972 275 S CB -0.748 62.497 63.200 0.075 0.000 0.774 275 S HN 0.437 nan 8.310 nan 0.000 0.501 276 Y N 1.736 122.103 120.300 0.113 0.000 2.439 276 Y HA 0.265 4.815 4.550 -0.000 0.000 0.292 276 Y C 1.867 177.887 175.900 0.201 0.000 1.130 276 Y CA -0.611 57.576 58.100 0.144 0.000 1.254 276 Y CB -0.912 37.671 38.460 0.205 0.000 1.000 276 Y HN 0.283 nan 8.280 nan 0.000 0.554 277 L N 0.143 121.461 121.223 0.159 0.000 2.622 277 L HA -0.122 4.218 4.340 -0.000 0.000 0.233 277 L C 2.280 178.977 176.870 -0.289 0.000 1.156 277 L CA 0.645 55.409 54.840 -0.127 0.000 0.866 277 L CB -0.430 41.309 42.059 -0.532 0.000 0.980 277 L HN 0.098 nan 8.230 nan 0.000 0.448 278 K N 1.777 121.828 120.400 -0.582 0.000 2.103 278 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 278 K C 1.293 177.570 176.600 -0.538 0.000 1.048 278 K CA 1.797 57.372 56.287 -1.187 0.000 0.930 278 K CB 0.055 31.906 32.500 -1.082 0.000 0.716 278 K HN 0.422 nan 8.250 nan 0.000 0.444 279 N N -0.115 118.471 118.700 -0.189 0.000 2.376 279 N HA -0.073 4.667 4.740 -0.000 0.000 0.249 279 N C -0.741 174.780 175.510 0.018 0.000 1.140 279 N CA -0.467 52.529 53.050 -0.089 0.000 0.870 279 N CB -0.558 37.899 38.487 -0.050 0.000 1.124 279 N HN 0.272 nan 8.380 nan 0.000 0.505 280 W N 1.397 122.454 121.300 -0.405 0.000 2.343 280 W HA 0.290 4.950 4.660 -0.000 0.000 0.337 280 W C 0.534 176.649 176.519 -0.675 0.000 1.320 280 W CA 1.745 58.625 57.345 -0.775 0.000 1.290 280 W CB 0.315 29.263 29.460 -0.853 0.000 1.206 280 W HN 0.455 nan 8.180 nan 0.000 0.565 281 G N 3.510 111.525 108.800 -1.308 0.000 2.250 281 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.189 281 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.189 281 G C 0.463 174.872 174.900 -0.818 0.000 1.298 281 G CA -0.003 44.395 45.100 -1.171 0.000 1.246 281 G HN 0.504 nan 8.290 nan 0.000 0.513 282 E N 0.518 120.537 120.200 -0.303 0.000 2.160 282 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 282 E C 2.506 178.977 176.600 -0.216 0.000 0.991 282 E CA 1.195 57.515 56.400 -0.133 0.000 0.810 282 E CB -0.475 29.231 29.700 0.010 0.000 0.742 282 E HN 0.670 nan 8.360 nan 0.000 0.466 283 G N -0.067 108.605 108.800 -0.214 0.000 2.501 283 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 283 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 283 G C 0.578 175.310 174.900 -0.280 0.000 1.114 283 G CA 0.278 45.269 45.100 -0.181 0.000 0.757 283 G HN 0.273 nan 8.290 nan 0.000 0.559 284 W N -0.171 120.668 121.300 -0.768 0.000 3.239 284 W HA 0.460 5.120 4.660 -0.000 0.000 0.368 284 W C 1.562 177.643 176.519 -0.730 0.000 1.154 284 W CA -0.389 56.412 57.345 -0.907 0.000 1.860 284 W CB 0.065 28.585 29.460 -1.566 0.000 1.094 284 W HN 0.280 nan 8.180 nan 0.000 0.643 285 G N -0.405 108.221 108.800 -0.291 0.000 2.143 285 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.249 285 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.249 285 G C 0.040 175.037 174.900 0.162 0.000 0.981 285 G CA -0.460 44.606 45.100 -0.058 0.000 0.665 285 G HN -0.001 nan 8.290 nan 0.000 0.528 286 F N 0.440 120.347 119.950 -0.071 0.000 2.378 286 F HA 0.585 5.112 4.527 -0.000 0.000 0.319 286 F C 1.477 177.342 175.800 0.107 0.000 1.155 286 F CA -1.338 56.638 58.000 -0.041 0.000 1.157 286 F CB 0.331 39.166 39.000 -0.276 0.000 1.252 286 F HN 0.318 nan 8.300 nan 0.000 0.550 287 V N -0.421 119.742 119.914 0.414 0.000 3.376 287 V HA 0.276 4.396 4.120 -0.000 0.000 0.303 287 V C -2.499 173.783 176.094 0.313 0.000 1.100 287 V CA -1.861 60.679 62.300 0.401 0.000 1.126 287 V CB -0.429 31.680 31.823 0.477 0.000 1.085 287 V HN 0.513 nan 8.190 nan 0.000 0.480 288 P HA 0.083 nan 4.420 nan 0.000 0.265 288 P C 1.003 178.257 177.300 -0.076 0.000 1.193 288 P CA 0.659 63.777 63.100 0.029 0.000 0.765 288 P CB 0.812 32.442 31.700 -0.115 0.000 0.823 289 S N 2.928 118.574 115.700 -0.089 0.000 2.380 289 S HA -0.233 4.237 4.470 -0.000 0.000 0.229 289 S C 1.302 175.692 174.600 -0.351 0.000 1.043 289 S CA 2.190 60.110 58.200 -0.467 0.000 1.038 289 S CB -0.942 62.091 63.200 -0.278 0.000 0.872 289 S HN 0.642 nan 8.310 nan 0.000 0.456 290 D N -0.417 119.844 120.400 -0.232 0.000 2.378 290 D HA -0.022 4.618 4.640 -0.000 0.000 0.227 290 D C 1.347 177.516 176.300 -0.218 0.000 1.012 290 D CA 0.335 54.215 54.000 -0.200 0.000 0.905 290 D CB -0.219 40.462 40.800 -0.198 0.000 0.895 290 D HN 0.293 nan 8.370 nan 0.000 0.532 291 R N -0.229 120.105 120.500 -0.276 0.000 2.535 291 R HA 0.452 4.792 4.340 -0.000 0.000 0.323 291 R C -0.153 176.085 176.300 -0.103 0.000 0.979 291 R CA -0.167 55.771 56.100 -0.269 0.000 1.120 291 R CB 0.904 30.739 30.300 -0.776 0.000 1.306 291 R HN 0.177 nan 8.270 nan 0.000 0.540 292 A N 1.632 124.371 122.820 -0.135 0.000 2.292 292 A HA 0.519 4.839 4.320 -0.000 0.000 0.319 292 A C -0.600 176.947 177.584 -0.063 0.000 1.206 292 A CA -0.490 51.486 52.037 -0.102 0.000 0.835 292 A CB 1.002 19.855 19.000 -0.243 0.000 1.164 292 A HN 0.120 nan 8.150 nan 0.000 0.505 293 L N 5.291 126.508 121.223 -0.010 0.000 2.294 293 L HA 0.613 4.953 4.340 -0.000 0.000 0.283 293 L C -0.382 176.478 176.870 -0.017 0.000 1.015 293 L CA -0.322 54.521 54.840 0.005 0.000 0.831 293 L CB 0.742 42.768 42.059 -0.054 0.000 1.217 293 L HN 0.663 nan 8.230 nan 0.000 0.420 294 V N 3.369 123.188 119.914 -0.159 0.000 2.850 294 V HA 0.835 4.955 4.120 -0.000 0.000 0.315 294 V C -0.683 175.286 176.094 -0.208 0.000 1.064 294 V CA -0.580 61.448 62.300 -0.454 0.000 0.979 294 V CB 1.768 32.995 31.823 -0.993 0.000 1.039 294 V HN 0.708 nan 8.190 nan 0.000 0.452 295 F N -0.360 119.324 119.950 -0.443 0.000 2.744 295 F HA 0.730 5.257 4.527 -0.000 0.000 0.311 295 F C -0.003 175.752 175.800 -0.075 0.000 1.144 295 F CA -0.937 56.923 58.000 -0.234 0.000 0.938 295 F CB 0.696 39.581 39.000 -0.191 0.000 1.292 295 F HN 0.237 nan 8.300 nan 0.000 0.444 296 V N 0.126 120.113 119.914 0.121 0.000 2.407 296 V HA 0.033 4.153 4.120 -0.000 0.000 0.245 296 V C 0.150 176.378 176.094 0.224 0.000 1.041 296 V CA 2.012 64.387 62.300 0.124 0.000 1.040 296 V CB -0.594 31.267 31.823 0.062 0.000 0.671 296 V HN 0.922 nan 8.190 nan 0.000 0.455 297 D N -0.550 120.077 120.400 0.378 0.000 2.602 297 D HA 0.282 4.922 4.640 -0.000 0.000 0.236 297 D C -1.081 175.431 176.300 0.354 0.000 1.209 297 D CA -0.622 53.599 54.000 0.368 0.000 0.831 297 D CB 1.822 42.794 40.800 0.286 0.000 1.478 297 D HN 0.261 nan 8.370 nan 0.000 0.438 298 N N -1.498 117.323 118.700 0.202 0.000 2.577 298 N HA 0.103 4.843 4.740 -0.000 0.000 0.285 298 N C 1.234 176.668 175.510 -0.126 0.000 1.309 298 N CA -0.467 52.570 53.050 -0.022 0.000 0.798 298 N CB 0.504 38.844 38.487 -0.245 0.000 1.463 298 N HN 0.591 nan 8.380 nan 0.000 0.518 299 H N -0.754 118.136 119.070 -0.301 0.000 2.426 299 H HA -0.079 4.477 4.556 -0.000 0.000 0.298 299 H C -0.072 174.865 175.328 -0.652 0.000 1.107 299 H CA 1.490 57.081 56.048 -0.761 0.000 1.298 299 H CB -0.131 28.838 29.762 -1.322 0.000 1.377 299 H HN 0.544 nan 8.280 nan 0.000 0.519 300 D N 1.527 121.388 120.400 -0.899 0.000 2.113 300 D HA -0.126 4.513 4.640 -0.000 0.000 0.206 300 D C 1.924 178.167 176.300 -0.094 0.000 0.979 300 D CA 1.455 55.177 54.000 -0.464 0.000 0.862 300 D CB -0.252 40.350 40.800 -0.330 0.000 1.013 300 D HN 0.539 nan 8.370 nan 0.000 0.455 301 N N 1.404 120.107 118.700 0.004 0.000 2.520 301 N HA -0.187 4.553 4.740 -0.000 0.000 0.185 301 N C 1.512 177.096 175.510 0.123 0.000 1.068 301 N CA 0.763 53.882 53.050 0.115 0.000 0.911 301 N CB -0.773 37.832 38.487 0.196 0.000 0.961 301 N HN 0.388 nan 8.380 nan 0.000 0.446 302 Q N -0.333 119.512 119.800 0.075 0.000 2.472 302 Q HA 0.079 4.419 4.340 -0.000 0.000 0.208 302 Q C 1.259 177.417 176.000 0.264 0.000 0.958 302 Q CA 0.562 56.453 55.803 0.146 0.000 0.932 302 Q CB 0.009 28.816 28.738 0.114 0.000 1.007 302 Q HN 0.304 nan 8.270 nan 0.000 0.508 303 R N -0.408 120.197 120.500 0.174 0.000 2.397 303 R HA 0.206 4.546 4.340 -0.000 0.000 0.241 303 R C 0.515 176.960 176.300 0.242 0.000 0.914 303 R CA 0.397 56.648 56.100 0.251 0.000 1.071 303 R CB 0.951 31.354 30.300 0.173 0.000 1.116 303 R HN 0.453 nan 8.270 nan 0.000 0.524 304 G N 0.851 109.768 108.800 0.195 0.000 2.143 304 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 304 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 304 G C 0.303 175.247 174.900 0.072 0.000 0.991 304 G CA 0.099 45.281 45.100 0.138 0.000 0.689 304 G HN 0.451 nan 8.290 nan 0.000 0.522 305 H N 0.237 119.368 119.070 0.103 0.000 2.538 305 H HA 0.424 4.980 4.556 -0.000 0.000 0.286 305 H C 1.329 176.676 175.328 0.031 0.000 1.035 305 H CA 1.333 57.442 56.048 0.102 0.000 1.169 305 H CB 0.523 30.403 29.762 0.197 0.000 1.417 305 H HN 0.739 nan 8.280 nan 0.000 0.567 306 G N -0.843 108.022 108.800 0.108 0.000 2.650 306 G HA2 0.457 4.417 3.960 -0.000 0.000 0.310 306 G HA3 0.457 4.417 3.960 -0.000 0.000 0.310 306 G C -1.157 173.743 174.900 -0.001 0.000 1.270 306 G CA -0.192 44.919 45.100 0.018 0.000 0.810 306 G HN 0.258 nan 8.290 nan 0.000 0.493 307 A N -1.261 121.506 122.820 -0.089 0.000 2.498 307 A HA 0.561 4.881 4.320 -0.000 0.000 0.239 307 A C 1.518 179.177 177.584 0.125 0.000 1.068 307 A CA 1.615 53.626 52.037 -0.044 0.000 0.766 307 A CB -0.169 18.696 19.000 -0.226 0.000 1.003 307 A HN 2.749 nan 8.150 nan 0.000 0.497 308 G N 0.734 109.593 108.800 0.099 0.000 2.349 308 G HA2 0.179 4.139 3.960 -0.000 0.000 0.213 308 G HA3 0.179 4.139 3.960 -0.000 0.000 0.213 308 G C 1.768 176.727 174.900 0.099 0.000 1.044 308 G CA 0.840 46.005 45.100 0.109 0.000 0.633 308 G HN 2.898 nan 8.290 nan 0.000 0.506 309 G N 0.504 109.363 108.800 0.098 0.000 2.591 309 G HA2 0.084 4.044 3.960 -0.000 0.000 0.298 309 G HA3 0.084 4.044 3.960 -0.000 0.000 0.298 309 G C 1.584 176.564 174.900 0.134 0.000 1.195 309 G CA 2.594 47.760 45.100 0.109 0.000 0.989 309 G HN 2.050 nan 8.290 nan 0.000 0.551 310 A N -0.216 122.721 122.820 0.195 0.000 2.066 310 A HA 0.284 4.604 4.320 -0.000 0.000 0.218 310 A C 2.695 180.387 177.584 0.180 0.000 1.157 310 A CA 2.940 55.134 52.037 0.262 0.000 0.670 310 A CB -0.669 18.559 19.000 0.380 0.000 0.804 310 A HN 2.070 nan 8.150 nan 0.000 0.453 311 S N -0.253 115.426 115.700 -0.036 0.000 2.453 311 S HA 0.067 4.536 4.470 -0.000 0.000 0.231 311 S C 0.794 175.214 174.600 -0.301 0.000 1.005 311 S CA -0.090 57.758 58.200 -0.587 0.000 0.949 311 S CB -0.502 62.355 63.200 -0.573 0.000 0.774 311 S HN 0.281 nan 8.310 nan 0.000 0.510 312 I N 2.890 123.411 120.570 -0.081 0.000 2.752 312 I HA 0.083 4.253 4.170 -0.000 0.000 0.289 312 I C 0.337 176.461 176.117 0.012 0.000 1.197 312 I CA 0.029 61.329 61.300 0.000 0.000 1.432 312 I CB -0.554 37.499 38.000 0.089 0.000 1.359 312 I HN 0.329 nan 8.210 nan 0.000 0.571 313 L N 6.945 128.200 121.223 0.054 0.000 2.325 313 L HA 0.456 4.796 4.340 -0.000 0.000 0.279 313 L C 0.659 177.644 176.870 0.191 0.000 1.054 313 L CA -0.243 54.672 54.840 0.125 0.000 0.804 313 L CB 1.624 43.783 42.059 0.167 0.000 1.200 313 L HN 0.789 nan 8.230 nan 0.000 0.436 314 T N -1.900 112.632 114.554 -0.038 0.000 2.716 314 T HA 0.338 4.687 4.350 -0.000 0.000 0.286 314 T C 0.750 174.943 174.700 -0.845 0.000 1.052 314 T CA -0.608 61.197 62.100 -0.491 0.000 1.024 314 T CB 0.709 69.404 68.868 -0.288 0.000 1.349 314 T HN 0.400 nan 8.240 nan 0.000 0.525 315 F N -1.249 118.185 119.950 -0.861 0.000 2.408 315 F HA 0.210 4.736 4.527 -0.000 0.000 0.300 315 F C 1.615 177.339 175.800 -0.127 0.000 1.090 315 F CA -0.174 57.534 58.000 -0.487 0.000 1.427 315 F CB -1.047 37.695 39.000 -0.430 0.000 1.070 315 F HN 0.537 nan 8.300 nan 0.000 0.549 316 W N 1.503 122.418 121.300 -0.641 0.000 2.425 316 W HA -0.061 4.598 4.660 -0.000 0.000 0.277 316 W C 0.735 177.197 176.519 -0.095 0.000 1.231 316 W CA 0.726 57.858 57.345 -0.355 0.000 1.248 316 W CB -0.109 29.062 29.460 -0.481 0.000 1.117 316 W HN -0.029 nan 8.180 nan 0.000 0.568 317 D N 0.119 120.607 120.400 0.146 0.000 3.163 317 D HA 0.236 4.876 4.640 -0.000 0.000 0.284 317 D C 1.485 177.925 176.300 0.234 0.000 1.368 317 D CA 0.234 54.328 54.000 0.158 0.000 0.895 317 D CB 0.222 41.092 40.800 0.117 0.000 1.061 317 D HN 0.022 nan 8.370 nan 0.000 0.496 318 A N 1.305 124.293 122.820 0.279 0.000 1.909 318 A HA -0.343 3.977 4.320 -0.000 0.000 0.221 318 A C 2.202 179.994 177.584 0.346 0.000 1.223 318 A CA 1.856 54.128 52.037 0.391 0.000 0.658 318 A CB -0.441 18.674 19.000 0.192 0.000 0.831 318 A HN 0.327 nan 8.150 nan 0.000 0.462 319 R N -0.590 120.034 120.500 0.208 0.000 2.082 319 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 319 R C 2.128 178.536 176.300 0.181 0.000 1.136 319 R CA 1.962 58.168 56.100 0.177 0.000 0.935 319 R CB -0.438 29.930 30.300 0.114 0.000 0.842 319 R HN 0.554 nan 8.270 nan 0.000 0.430 320 L N -0.619 120.688 121.223 0.140 0.000 2.201 320 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 320 L C 2.283 179.218 176.870 0.108 0.000 1.105 320 L CA 0.819 55.701 54.840 0.069 0.000 0.775 320 L CB -0.538 41.534 42.059 0.022 0.000 0.913 320 L HN 0.298 nan 8.230 nan 0.000 0.440 321 Y N 1.445 121.799 120.300 0.089 0.000 2.114 321 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 321 Y C 2.556 178.535 175.900 0.131 0.000 1.143 321 Y CA 1.556 59.723 58.100 0.110 0.000 1.135 321 Y CB -0.136 38.443 38.460 0.199 0.000 0.980 321 Y HN -0.020 nan 8.280 nan 0.000 0.499 322 K N -0.542 120.030 120.400 0.287 0.000 2.113 322 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 322 K C 2.279 178.879 176.600 0.000 0.000 1.047 322 K CA 1.896 58.335 56.287 0.253 0.000 0.928 322 K CB -0.279 32.509 32.500 0.479 0.000 0.716 322 K HN 0.395 nan 8.250 nan 0.000 0.446 323 M N 0.123 119.626 119.600 -0.162 0.000 2.086 323 M HA -0.180 4.299 4.480 -0.000 0.000 0.261 323 M C 2.411 178.456 176.300 -0.424 0.000 1.067 323 M CA 1.634 56.585 55.300 -0.582 0.000 1.116 323 M CB -0.321 32.060 32.600 -0.364 0.000 1.348 323 M HN 0.257 nan 8.290 nan 0.000 0.407 324 A N -0.421 122.216 122.820 -0.305 0.000 1.877 324 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 324 A C 2.070 179.535 177.584 -0.198 0.000 1.186 324 A CA 1.748 53.614 52.037 -0.285 0.000 0.620 324 A CB -1.046 17.813 19.000 -0.236 0.000 0.822 324 A HN 0.347 nan 8.150 nan 0.000 0.443 325 V N -0.053 119.697 119.914 -0.274 0.000 2.490 325 V HA -0.160 3.960 4.120 -0.000 0.000 0.250 325 V C 2.723 178.780 176.094 -0.062 0.000 1.061 325 V CA 1.785 63.961 62.300 -0.206 0.000 1.064 325 V CB -1.334 30.291 31.823 -0.331 0.000 0.670 325 V HN 0.634 nan 8.190 nan 0.000 0.461 326 G N -0.923 107.843 108.800 -0.057 0.000 2.404 326 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.215 326 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.215 326 G C 1.556 176.532 174.900 0.126 0.000 1.174 326 G CA 0.851 45.977 45.100 0.044 0.000 0.780 326 G HN 0.477 nan 8.290 nan 0.000 0.537 327 F N 0.880 120.805 119.950 -0.043 0.000 2.134 327 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 327 F C 2.648 178.519 175.800 0.118 0.000 1.097 327 F CA 2.003 59.991 58.000 -0.021 0.000 1.264 327 F CB -0.067 38.611 39.000 -0.537 0.000 1.001 327 F HN 0.148 nan 8.300 nan 0.000 0.479 328 M N -0.050 119.704 119.600 0.257 0.000 2.065 328 M HA -0.228 4.252 4.480 -0.000 0.000 0.259 328 M C 1.960 178.359 176.300 0.165 0.000 1.069 328 M CA 1.943 57.425 55.300 0.303 0.000 1.110 328 M CB -0.447 32.293 32.600 0.235 0.000 1.328 328 M HN 0.265 nan 8.290 nan 0.000 0.405 329 L N -0.089 121.173 121.223 0.065 0.000 2.275 329 L HA -0.089 4.250 4.340 -0.000 0.000 0.215 329 L C 2.527 179.439 176.870 0.070 0.000 1.119 329 L CA 0.759 55.615 54.840 0.026 0.000 0.790 329 L CB -0.757 41.290 42.059 -0.020 0.000 0.919 329 L HN 0.428 nan 8.230 nan 0.000 0.443 330 A N -2.095 120.747 122.820 0.037 0.000 1.984 330 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 330 A C 1.163 178.985 177.584 0.398 0.000 1.173 330 A CA 0.146 52.236 52.037 0.087 0.000 0.673 330 A CB -0.287 18.555 19.000 -0.263 0.000 0.830 330 A HN 0.281 nan 8.150 nan 0.000 0.453 331 H N 1.098 120.294 119.070 0.210 0.000 2.683 331 H HA 0.169 4.724 4.556 -0.000 0.000 0.339 331 H C -1.672 173.773 175.328 0.195 0.000 1.081 331 H CA -1.352 54.784 56.048 0.147 0.000 1.432 331 H CB 1.488 31.204 29.762 -0.077 0.000 1.462 331 H HN 0.110 nan 8.280 nan 0.000 0.557 332 P HA -0.159 nan 4.420 nan 0.000 0.225 332 P C 0.274 177.711 177.300 0.229 0.000 1.148 332 P CA 0.601 63.772 63.100 0.118 0.000 0.779 332 P CB -0.152 31.564 31.700 0.026 0.000 0.780 333 Y N 2.318 122.852 120.300 0.391 0.000 2.632 333 Y HA 0.314 4.864 4.550 -0.000 0.000 0.329 333 Y C 1.281 177.245 175.900 0.107 0.000 1.174 333 Y CA 1.385 59.629 58.100 0.239 0.000 1.469 333 Y CB -0.399 38.190 38.460 0.214 0.000 1.242 333 Y HN 0.316 nan 8.280 nan 0.000 0.540 334 G N 4.699 113.112 108.800 -0.645 0.000 2.804 334 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.230 334 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.230 334 G C -1.352 173.464 174.900 -0.140 0.000 1.386 334 G CA -0.233 44.575 45.100 -0.488 0.000 0.875 334 G HN 0.933 nan 8.290 nan 0.000 0.557 335 F N 2.051 121.862 119.950 -0.232 0.000 2.388 335 F HA 0.623 5.150 4.527 -0.000 0.000 0.358 335 F C 1.163 176.854 175.800 -0.182 0.000 1.122 335 F CA -0.008 57.887 58.000 -0.176 0.000 1.056 335 F CB 1.330 40.241 39.000 -0.148 0.000 1.155 335 F HN 0.849 nan 8.300 nan 0.000 0.461 336 T N 3.963 118.081 114.554 -0.727 0.000 2.832 336 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 336 T C -0.218 174.165 174.700 -0.529 0.000 0.968 336 T CA -0.787 60.996 62.100 -0.529 0.000 1.107 336 T CB 1.056 69.701 68.868 -0.372 0.000 0.916 336 T HN 0.791 nan 8.240 nan 0.000 0.517 337 R N 2.667 123.016 120.500 -0.253 0.000 2.393 337 R HA 0.553 4.893 4.340 -0.000 0.000 0.315 337 R C -1.387 174.891 176.300 -0.037 0.000 0.952 337 R CA -0.717 55.294 56.100 -0.149 0.000 0.842 337 R CB 1.276 31.492 30.300 -0.139 0.000 1.163 337 R HN 0.610 nan 8.270 nan 0.000 0.450 338 V N 5.753 125.666 119.914 -0.002 0.000 2.465 338 V HA 0.260 4.380 4.120 -0.000 0.000 0.279 338 V C 0.398 176.556 176.094 0.106 0.000 1.045 338 V CA -0.614 61.725 62.300 0.064 0.000 0.938 338 V CB 1.349 33.241 31.823 0.115 0.000 0.986 338 V HN 0.798 nan 8.190 nan 0.000 0.467 339 M N 4.299 123.988 119.600 0.149 0.000 2.274 339 M HA 0.468 4.948 4.480 -0.000 0.000 0.344 339 M C -0.074 176.287 176.300 0.101 0.000 1.161 339 M CA 0.759 56.150 55.300 0.152 0.000 1.126 339 M CB 1.379 34.105 32.600 0.210 0.000 1.522 339 M HN 0.646 nan 8.290 nan 0.000 0.461 340 S N 2.663 118.393 115.700 0.050 0.000 2.733 340 S HA 0.801 5.271 4.470 -0.000 0.000 0.294 340 S C -1.274 173.417 174.600 0.152 0.000 1.149 340 S CA -0.605 57.637 58.200 0.070 0.000 1.034 340 S CB 0.551 63.723 63.200 -0.047 0.000 1.015 340 S HN 0.872 nan 8.310 nan 0.000 0.486 341 S N 3.152 118.922 115.700 0.116 0.000 2.841 341 S HA 0.826 5.295 4.470 -0.000 0.000 0.318 341 S C -1.311 173.374 174.600 0.141 0.000 1.127 341 S CA -0.865 57.422 58.200 0.143 0.000 0.883 341 S CB 0.589 63.799 63.200 0.017 0.000 1.271 341 S HN 0.804 nan 8.310 nan 0.000 0.567 342 Y N -0.799 119.555 120.300 0.090 0.000 2.485 342 Y HA 0.765 5.315 4.550 -0.000 0.000 0.345 342 Y C -0.221 175.635 175.900 -0.074 0.000 0.998 342 Y CA -1.370 56.643 58.100 -0.146 0.000 1.059 342 Y CB 0.903 39.085 38.460 -0.464 0.000 1.234 342 Y HN 0.671 nan 8.280 nan 0.000 0.461 343 R N 2.571 123.067 120.500 -0.007 0.000 2.438 343 R HA 0.376 4.716 4.340 -0.000 0.000 0.287 343 R C -1.507 175.036 176.300 0.406 0.000 1.077 343 R CA -0.300 55.819 56.100 0.032 0.000 1.034 343 R CB 0.540 30.774 30.300 -0.109 0.000 0.993 343 R HN 0.938 nan 8.270 nan 0.000 0.459 344 W N 3.769 125.299 121.300 0.383 0.000 2.962 344 W HA 0.526 5.186 4.660 0.000 0.000 0.341 344 W C -2.645 174.050 176.519 0.293 0.000 1.155 344 W CA -2.827 54.697 57.345 0.298 0.000 1.165 344 W CB 0.367 29.995 29.460 0.280 0.000 1.435 344 W HN 0.423 nan 8.180 nan 0.000 0.546 345 P HA 0.019 nan 4.420 nan 0.000 0.235 345 P C -0.141 177.129 177.300 -0.051 0.000 1.670 345 P CA 0.083 63.224 63.100 0.068 0.000 1.017 345 P CB -0.207 31.542 31.700 0.082 0.000 1.945 346 R N 3.007 123.262 120.500 -0.409 0.000 2.446 346 R HA 0.018 4.358 4.340 -0.000 0.000 0.314 346 R C 0.116 176.119 176.300 -0.495 0.000 1.003 346 R CA 0.376 56.120 56.100 -0.592 0.000 1.018 346 R CB 0.063 29.612 30.300 -1.253 0.000 0.945 346 R HN 0.383 nan 8.270 nan 0.000 0.419 347 Q N 4.074 123.626 119.800 -0.413 0.000 2.275 347 Q HA 0.283 4.623 4.340 -0.000 0.000 0.266 347 Q C -1.434 174.383 176.000 -0.306 0.000 1.002 347 Q CA -0.745 54.892 55.803 -0.275 0.000 0.761 347 Q CB 1.213 29.895 28.738 -0.093 0.000 1.255 347 Q HN 0.300 nan 8.270 nan 0.000 0.446 348 F N 2.111 122.034 119.950 -0.045 0.000 2.385 348 F HA 0.371 4.898 4.527 -0.000 0.000 0.336 348 F C 0.286 176.085 175.800 -0.001 0.000 1.100 348 F CA -0.059 57.928 58.000 -0.021 0.000 1.116 348 F CB 1.598 40.567 39.000 -0.051 0.000 1.166 348 F HN 0.527 nan 8.300 nan 0.000 0.511 349 Q N 1.914 121.847 119.800 0.222 0.000 2.281 349 Q HA 0.343 4.683 4.340 -0.000 0.000 0.263 349 Q C -0.699 175.371 176.000 0.117 0.000 0.989 349 Q CA -1.061 54.822 55.803 0.133 0.000 0.852 349 Q CB 1.653 30.447 28.738 0.094 0.000 1.337 349 Q HN 0.672 nan 8.270 nan 0.000 0.418 350 N N 1.037 119.786 118.700 0.081 0.000 2.753 350 N HA -0.262 4.478 4.740 -0.000 0.000 0.251 350 N C 0.747 176.294 175.510 0.062 0.000 1.097 350 N CA 1.999 55.083 53.050 0.056 0.000 0.786 350 N CB -1.202 37.315 38.487 0.051 0.000 1.137 350 N HN 1.294 nan 8.380 nan 0.000 0.566 351 G N -0.502 108.353 108.800 0.091 0.000 2.232 351 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.226 351 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.226 351 G C -0.188 174.844 174.900 0.219 0.000 0.996 351 G CA 0.422 45.571 45.100 0.081 0.000 0.626 351 G HN 0.930 nan 8.290 nan 0.000 0.509 352 N N -0.054 118.802 118.700 0.260 0.000 2.370 352 N HA 0.511 5.251 4.740 -0.000 0.000 0.303 352 N C -1.123 174.530 175.510 0.239 0.000 1.103 352 N CA -0.457 52.760 53.050 0.279 0.000 0.848 352 N CB 1.952 40.525 38.487 0.143 0.000 1.235 352 N HN -0.007 nan 8.380 nan 0.000 0.496 353 D N 1.811 122.259 120.400 0.079 0.000 2.352 353 D HA 0.010 4.650 4.640 -0.000 0.000 0.245 353 D C 1.129 177.435 176.300 0.010 0.000 1.224 353 D CA -0.775 53.073 54.000 -0.253 0.000 0.879 353 D CB 1.124 41.686 40.800 -0.396 0.000 1.057 353 D HN 0.485 nan 8.370 nan 0.000 0.491 354 V N 1.654 121.596 119.914 0.046 0.000 3.510 354 V HA 0.105 4.225 4.120 -0.000 0.000 0.270 354 V C 0.567 176.830 176.094 0.282 0.000 1.201 354 V CA 0.593 63.003 62.300 0.184 0.000 1.166 354 V CB -0.548 31.378 31.823 0.172 0.000 0.825 354 V HN 0.347 nan 8.190 nan 0.000 0.484 355 N N 1.544 120.324 118.700 0.132 0.000 2.282 355 N HA 0.096 4.836 4.740 -0.000 0.000 0.240 355 N C 0.804 176.232 175.510 -0.138 0.000 1.182 355 N CA 0.710 53.720 53.050 -0.067 0.000 0.874 355 N CB 0.321 38.812 38.487 0.006 0.000 1.126 355 N HN 0.789 nan 8.380 nan 0.000 0.516 356 D N -0.549 119.920 120.400 0.115 0.000 2.378 356 D HA -0.130 4.510 4.640 -0.000 0.000 0.227 356 D C 1.557 178.106 176.300 0.415 0.000 1.012 356 D CA 0.201 54.300 54.000 0.166 0.000 0.905 356 D CB -0.441 40.552 40.800 0.321 0.000 0.895 356 D HN 0.483 nan 8.370 nan 0.000 0.532 357 W N 0.706 122.278 121.300 0.454 0.000 2.640 357 W HA 0.246 4.906 4.660 -0.000 0.000 0.268 357 W C -0.137 176.528 176.519 0.244 0.000 1.263 357 W CA -0.569 57.042 57.345 0.443 0.000 1.344 357 W CB -0.813 28.880 29.460 0.390 0.000 1.093 357 W HN -0.302 nan 8.180 nan 0.000 0.603 358 V N 3.613 123.081 119.914 -0.743 0.000 2.717 358 V HA 0.008 4.128 4.120 -0.000 0.000 0.302 358 V C 1.496 177.608 176.094 0.029 0.000 1.097 358 V CA 1.179 63.098 62.300 -0.634 0.000 1.262 358 V CB -0.798 30.699 31.823 -0.542 0.000 0.846 358 V HN 0.202 nan 8.190 nan 0.000 0.485 359 G N 7.006 115.818 108.800 0.020 0.000 2.588 359 G HA2 0.450 4.410 3.960 -0.000 0.000 0.278 359 G HA3 0.450 4.410 3.960 -0.000 0.000 0.278 359 G C -2.196 172.451 174.900 -0.422 0.000 1.307 359 G CA -0.953 44.134 45.100 -0.022 0.000 1.016 359 G HN 0.661 nan 8.290 nan 0.000 0.503 360 P HA 0.167 nan 4.420 nan 0.000 0.271 360 P C -2.674 174.055 177.300 -0.952 0.000 1.233 360 P CA -0.998 61.165 63.100 -1.562 0.000 0.789 360 P CB -0.114 31.035 31.700 -0.917 0.000 0.951 361 P HA 0.028 nan 4.420 nan 0.000 0.261 361 P C -0.385 176.710 177.300 -0.343 0.000 1.183 361 P CA 0.836 63.562 63.100 -0.623 0.000 0.761 361 P CB -0.289 30.914 31.700 -0.828 0.000 0.785 362 N N 1.007 119.600 118.700 -0.180 0.000 2.610 362 N HA 0.432 5.172 4.740 -0.000 0.000 0.264 362 N C -1.528 173.977 175.510 -0.008 0.000 1.348 362 N CA -1.067 51.941 53.050 -0.070 0.000 0.819 362 N CB 1.118 39.584 38.487 -0.036 0.000 1.521 362 N HN 0.038 nan 8.380 nan 0.000 0.497 363 N N 0.734 119.444 118.700 0.018 0.000 2.569 363 N HA 0.321 5.060 4.740 -0.000 0.000 0.254 363 N C -0.755 174.795 175.510 0.067 0.000 1.004 363 N CA -0.319 52.748 53.050 0.028 0.000 0.904 363 N CB 0.123 38.617 38.487 0.011 0.000 1.165 363 N HN 0.755 nan 8.380 nan 0.000 0.513 364 N N 3.210 121.965 118.700 0.091 0.000 2.741 364 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 364 N C 0.602 176.297 175.510 0.309 0.000 1.115 364 N CA 1.621 54.754 53.050 0.137 0.000 0.724 364 N CB -1.125 37.411 38.487 0.082 0.000 1.090 364 N HN 1.037 nan 8.380 nan 0.000 0.558 365 G N -2.332 106.681 108.800 0.356 0.000 2.232 365 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.226 365 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.226 365 G C -0.059 174.863 174.900 0.036 0.000 0.996 365 G CA 0.182 45.420 45.100 0.230 0.000 0.626 365 G HN 0.504 nan 8.290 nan 0.000 0.509 366 V N 3.233 123.175 119.914 0.047 0.000 2.408 366 V HA 0.397 4.517 4.120 -0.000 0.000 0.267 366 V C 1.299 177.377 176.094 -0.026 0.000 1.047 366 V CA -0.572 61.726 62.300 -0.004 0.000 0.937 366 V CB 1.057 32.885 31.823 0.009 0.000 0.999 366 V HN 0.351 nan 8.190 nan 0.000 0.472 367 I N 5.474 126.009 120.570 -0.059 0.000 2.826 367 I HA -0.011 4.159 4.170 -0.000 0.000 0.295 367 I C 0.972 177.091 176.117 0.003 0.000 1.213 367 I CA 0.420 61.692 61.300 -0.047 0.000 1.436 367 I CB 0.113 38.083 38.000 -0.050 0.000 1.348 367 I HN 0.557 nan 8.210 nan 0.000 0.570 368 K N 5.614 126.043 120.400 0.048 0.000 2.237 368 K HA 0.122 4.442 4.320 -0.000 0.000 0.270 368 K C 0.053 176.735 176.600 0.136 0.000 1.015 368 K CA -0.473 55.864 56.287 0.083 0.000 0.949 368 K CB 0.766 33.303 32.500 0.062 0.000 0.976 368 K HN 0.522 nan 8.250 nan 0.000 0.472 369 E N 1.355 121.560 120.200 0.009 0.000 2.408 369 E HA 0.012 4.362 4.350 -0.000 0.000 0.259 369 E C -0.961 175.516 176.600 -0.206 0.000 1.110 369 E CA -0.431 55.891 56.400 -0.130 0.000 0.929 369 E CB 0.748 30.387 29.700 -0.102 0.000 0.971 369 E HN 0.147 nan 8.360 nan 0.000 0.438 370 V N 4.228 123.801 119.914 -0.568 0.000 2.385 370 V HA 0.206 4.326 4.120 -0.000 0.000 0.269 370 V C 0.125 176.018 176.094 -0.336 0.000 1.043 370 V CA -0.113 61.726 62.300 -0.768 0.000 0.906 370 V CB 0.597 31.530 31.823 -1.483 0.000 0.995 370 V HN 0.841 nan 8.190 nan 0.000 0.467 371 T N 4.130 118.596 114.554 -0.146 0.000 2.837 371 T HA 0.655 5.005 4.350 -0.000 0.000 0.285 371 T C -0.481 174.185 174.700 -0.057 0.000 0.984 371 T CA -0.737 61.318 62.100 -0.075 0.000 1.049 371 T CB 1.364 70.218 68.868 -0.022 0.000 0.947 371 T HN 0.223 nan 8.240 nan 0.000 0.472 372 I N 3.560 124.104 120.570 -0.044 0.000 2.321 372 I HA 0.331 4.500 4.170 -0.000 0.000 0.291 372 I C 0.372 176.485 176.117 -0.006 0.000 0.998 372 I CA -0.999 60.285 61.300 -0.027 0.000 1.227 372 I CB 0.735 38.722 38.000 -0.021 0.000 1.368 372 I HN 0.684 nan 8.210 nan 0.000 0.466 373 N N 8.121 126.821 118.700 0.001 0.000 2.381 373 N HA 0.246 4.986 4.740 -0.000 0.000 0.254 373 N C -1.607 173.911 175.510 0.014 0.000 1.264 373 N CA -1.385 51.670 53.050 0.008 0.000 0.942 373 N CB 0.421 38.914 38.487 0.010 0.000 1.190 373 N HN 0.262 nan 8.380 nan 0.000 0.495 374 P HA -0.117 nan 4.420 nan 0.000 0.218 374 P C 0.412 177.728 177.300 0.027 0.000 1.148 374 P CA 1.239 64.351 63.100 0.021 0.000 0.822 374 P CB 0.115 31.825 31.700 0.016 0.000 0.784 375 D N -1.815 118.599 120.400 0.023 0.000 2.328 375 D HA -0.045 4.595 4.640 -0.000 0.000 0.226 375 D C 0.625 176.949 176.300 0.041 0.000 1.066 375 D CA 1.266 55.283 54.000 0.028 0.000 0.861 375 D CB -1.110 39.700 40.800 0.016 0.000 0.912 375 D HN 0.252 nan 8.370 nan 0.000 0.521 376 T N -3.826 110.751 114.554 0.038 0.000 5.979 376 T HA -0.255 4.095 4.350 -0.000 0.000 0.273 376 T C 0.536 175.228 174.700 -0.013 0.000 2.195 376 T CA 1.433 63.552 62.100 0.031 0.000 3.693 376 T CB -3.006 65.919 68.868 0.096 0.000 0.944 376 T HN 0.543 nan 8.240 nan 0.000 1.117 377 T N -0.903 113.657 114.554 0.010 0.000 2.788 377 T HA 0.661 5.011 4.350 -0.000 0.000 0.280 377 T C 0.822 175.531 174.700 0.015 0.000 0.984 377 T CA -0.267 61.847 62.100 0.024 0.000 0.972 377 T CB 1.303 70.193 68.868 0.037 0.000 1.039 377 T HN 0.626 nan 8.240 nan 0.000 0.530 378 c N 0.490 119.119 118.600 0.048 0.000 2.397 378 c HA 0.898 5.468 4.570 -0.000 0.000 0.343 378 c C 1.301 175.435 174.090 0.074 0.000 1.188 378 c CA -0.367 55.993 56.329 0.053 0.000 1.992 378 c CB 0.781 43.348 42.510 0.094 0.000 2.358 378 c HN 1.199 nan 8.230 nan 0.000 0.518 379 G N 0.282 109.125 108.800 0.072 0.000 2.938 379 G HA2 0.473 4.432 3.960 -0.000 0.000 0.258 379 G HA3 0.473 4.432 3.960 -0.000 0.000 0.258 379 G C 0.015 174.990 174.900 0.124 0.000 1.356 379 G CA -0.175 44.965 45.100 0.067 0.000 1.052 379 G HN 0.747 nan 8.290 nan 0.000 0.550 380 N N 0.203 118.938 118.700 0.059 0.000 2.741 380 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 380 N C -0.091 175.322 175.510 -0.163 0.000 1.112 380 N CA 1.370 54.431 53.050 0.017 0.000 0.750 380 N CB -0.553 38.022 38.487 0.147 0.000 1.119 380 N HN 0.705 nan 8.380 nan 0.000 0.561 381 D N -3.963 116.368 120.400 -0.114 0.000 3.070 381 D HA -0.224 4.416 4.640 -0.000 0.000 0.210 381 D C -0.384 175.770 176.300 -0.243 0.000 1.103 381 D CA 1.064 54.953 54.000 -0.185 0.000 0.980 381 D CB -1.546 39.116 40.800 -0.230 0.000 1.100 381 D HN 0.491 nan 8.370 nan 0.000 0.423 382 W N 0.464 121.733 121.300 -0.050 0.000 2.316 382 W HA 0.377 5.037 4.660 -0.000 0.000 0.311 382 W C 1.716 178.214 176.519 -0.035 0.000 1.217 382 W CA -0.834 56.497 57.345 -0.024 0.000 1.199 382 W CB 0.799 30.189 29.460 -0.116 0.000 1.202 382 W HN -0.278 nan 8.180 nan 0.000 0.528 383 V N 2.159 122.131 119.914 0.096 0.000 2.591 383 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 383 V C 1.152 177.319 176.094 0.123 0.000 1.053 383 V CA 0.293 62.560 62.300 -0.054 0.000 1.068 383 V CB -0.941 30.530 31.823 -0.587 0.000 0.689 383 V HN 0.863 nan 8.190 nan 0.000 0.462 384 c N 1.546 120.263 118.600 0.194 0.000 3.514 384 c HA -0.166 4.404 4.570 -0.000 0.000 0.286 384 c C 1.688 175.667 174.090 -0.185 0.000 1.302 384 c CA 0.598 57.010 56.329 0.139 0.000 2.239 384 c CB -2.492 40.059 42.510 0.069 0.000 1.429 384 c HN 0.679 nan 8.230 nan 0.000 0.565 385 E N 0.396 120.358 120.200 -0.396 0.000 2.153 385 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 385 E C 1.984 178.311 176.600 -0.454 0.000 0.988 385 E CA 1.575 57.308 56.400 -1.112 0.000 0.811 385 E CB -0.154 29.070 29.700 -0.793 0.000 0.746 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N 0.054 119.036 119.070 -0.146 0.000 2.521 386 H HA 0.075 4.631 4.556 -0.000 0.000 0.286 386 H C 1.392 176.853 175.328 0.221 0.000 1.034 386 H CA 0.959 57.074 56.048 0.112 0.000 1.278 386 H CB -0.049 29.754 29.762 0.068 0.000 1.386 386 H HN 0.080 nan 8.280 nan 0.000 0.567 387 R N -0.622 119.621 120.500 -0.428 0.000 2.280 387 R HA 0.041 4.381 4.340 -0.000 0.000 0.195 387 R C -0.123 176.322 176.300 0.242 0.000 0.935 387 R CA -0.382 55.581 56.100 -0.229 0.000 1.033 387 R CB 0.202 30.190 30.300 -0.520 0.000 0.964 387 R HN 0.115 nan 8.270 nan 0.000 0.489 388 W N 1.864 123.193 121.300 0.049 0.000 2.264 388 W HA 0.065 4.725 4.660 -0.000 0.000 0.331 388 W C 1.591 178.191 176.519 0.134 0.000 1.364 388 W CA -0.783 56.620 57.345 0.096 0.000 1.253 388 W CB -0.005 29.534 29.460 0.133 0.000 1.215 388 W HN 0.082 nan 8.180 nan 0.000 0.561 389 R N 1.889 122.574 120.500 0.307 0.000 2.094 389 R HA -0.264 4.076 4.340 -0.000 0.000 0.239 389 R C 2.163 178.590 176.300 0.211 0.000 1.137 389 R CA 2.385 58.616 56.100 0.219 0.000 0.943 389 R CB -0.212 30.164 30.300 0.127 0.000 0.850 389 R HN 0.585 nan 8.270 nan 0.000 0.433 390 Q N -0.085 119.842 119.800 0.211 0.000 2.291 390 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 390 Q C 2.031 178.182 176.000 0.251 0.000 0.976 390 Q CA 1.408 57.323 55.803 0.186 0.000 0.875 390 Q CB -0.175 28.684 28.738 0.201 0.000 0.927 390 Q HN 0.526 nan 8.270 nan 0.000 0.450 391 I N 0.417 121.169 120.570 0.303 0.000 2.556 391 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 391 I C 2.767 179.004 176.117 0.200 0.000 1.105 391 I CA 0.209 61.651 61.300 0.237 0.000 1.436 391 I CB -0.252 37.883 38.000 0.226 0.000 1.139 391 I HN 0.098 nan 8.210 nan 0.000 0.438 392 R N 1.638 122.305 120.500 0.278 0.000 2.105 392 R HA -0.198 4.141 4.340 -0.000 0.000 0.239 392 R C 1.644 178.030 176.300 0.143 0.000 1.135 392 R CA 1.849 58.121 56.100 0.286 0.000 0.967 392 R CB -0.446 30.115 30.300 0.435 0.000 0.861 392 R HN 0.327 nan 8.270 nan 0.000 0.442 393 N N 0.081 118.877 118.700 0.160 0.000 2.309 393 N HA -0.079 4.661 4.740 -0.000 0.000 0.182 393 N C 1.537 177.138 175.510 0.152 0.000 1.018 393 N CA 0.988 54.128 53.050 0.150 0.000 0.876 393 N CB -0.078 38.502 38.487 0.156 0.000 0.972 393 N HN 0.227 nan 8.380 nan 0.000 0.434 394 M N -0.206 119.462 119.600 0.114 0.000 2.447 394 M HA 0.066 4.545 4.480 -0.000 0.000 0.264 394 M C 1.784 178.110 176.300 0.043 0.000 1.095 394 M CA 0.341 55.689 55.300 0.080 0.000 1.125 394 M CB -0.446 32.173 32.600 0.032 0.000 1.389 394 M HN -0.114 nan 8.290 nan 0.000 0.459 395 V N 0.595 120.482 119.914 -0.046 0.000 2.358 395 V HA -0.236 3.883 4.120 -0.000 0.000 0.246 395 V C 2.313 178.303 176.094 -0.174 0.000 1.047 395 V CA 1.495 63.669 62.300 -0.209 0.000 1.035 395 V CB -0.420 31.090 31.823 -0.523 0.000 0.658 395 V HN 0.338 nan 8.190 nan 0.000 0.452 396 I N -0.900 119.599 120.570 -0.118 0.000 2.315 396 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 396 I C 2.311 178.323 176.117 -0.175 0.000 1.117 396 I CA 1.586 62.809 61.300 -0.127 0.000 1.404 396 I CB -0.421 37.541 38.000 -0.063 0.000 1.071 396 I HN 0.324 nan 8.210 nan 0.000 0.419 397 F N 1.976 121.761 119.950 -0.275 0.000 2.120 397 F HA -0.270 4.257 4.527 -0.000 0.000 0.300 397 F C 2.697 178.371 175.800 -0.209 0.000 1.095 397 F CA 1.783 59.589 58.000 -0.323 0.000 1.249 397 F CB -0.366 38.587 39.000 -0.080 0.000 0.995 397 F HN -0.145 nan 8.300 nan 0.000 0.480 398 R N 0.212 120.834 120.500 0.203 0.000 2.081 398 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 398 R C 2.067 178.345 176.300 -0.037 0.000 1.131 398 R CA 1.711 57.879 56.100 0.112 0.000 0.960 398 R CB -0.335 29.982 30.300 0.029 0.000 0.856 398 R HN 0.303 nan 8.270 nan 0.000 0.436 399 N N 0.015 118.656 118.700 -0.099 0.000 2.084 399 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 399 N C 1.816 177.245 175.510 -0.134 0.000 1.030 399 N CA 1.355 54.341 53.050 -0.107 0.000 0.849 399 N CB -0.441 37.977 38.487 -0.115 0.000 1.012 399 N HN 0.037 nan 8.380 nan 0.000 0.423 400 V N 1.257 121.035 119.914 -0.228 0.000 2.332 400 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 400 V C 2.138 178.103 176.094 -0.215 0.000 1.055 400 V CA 1.678 63.825 62.300 -0.256 0.000 1.038 400 V CB -0.586 30.957 31.823 -0.465 0.000 0.651 400 V HN 0.317 nan 8.190 nan 0.000 0.450 401 V N -1.868 117.893 119.914 -0.256 0.000 3.596 401 V HA 0.236 4.356 4.120 -0.000 0.000 0.289 401 V C 0.632 176.693 176.094 -0.055 0.000 1.336 401 V CA -0.184 62.015 62.300 -0.168 0.000 1.137 401 V CB -0.506 31.180 31.823 -0.229 0.000 0.966 401 V HN 0.479 nan 8.190 nan 0.000 0.428 402 D N 1.578 121.950 120.400 -0.047 0.000 2.586 402 D HA 0.355 4.995 4.640 -0.000 0.000 0.234 402 D C 1.510 177.811 176.300 0.002 0.000 1.132 402 D CA 2.144 56.139 54.000 -0.009 0.000 0.860 402 D CB 0.434 41.225 40.800 -0.015 0.000 1.159 402 D HN 0.608 nan 8.370 nan 0.000 0.490 403 G N 2.666 111.478 108.800 0.019 0.000 2.253 403 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.251 403 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.251 403 G C 0.457 175.376 174.900 0.032 0.000 0.998 403 G CA 0.388 45.501 45.100 0.022 0.000 0.621 403 G HN 0.674 nan 8.290 nan 0.000 0.524 404 Q N 2.288 122.109 119.800 0.035 0.000 2.332 404 Q HA 0.497 4.837 4.340 -0.000 0.000 0.263 404 Q C -1.760 174.288 176.000 0.080 0.000 0.979 404 Q CA -1.467 54.365 55.803 0.048 0.000 0.885 404 Q CB 1.163 29.922 28.738 0.035 0.000 1.218 404 Q HN 0.398 nan 8.270 nan 0.000 0.405 405 P HA 0.007 nan 4.420 nan 0.000 0.274 405 P C -0.921 176.480 177.300 0.168 0.000 1.231 405 P CA -0.320 62.852 63.100 0.120 0.000 0.790 405 P CB 0.476 32.238 31.700 0.103 0.000 0.951 406 F N 1.985 121.946 119.950 0.018 0.000 2.541 406 F HA 0.345 4.871 4.527 -0.000 0.000 0.378 406 F C 0.397 176.257 175.800 0.099 0.000 1.068 406 F CA 1.280 59.285 58.000 0.008 0.000 1.199 406 F CB 0.405 39.295 39.000 -0.184 0.000 1.091 406 F HN 0.331 nan 8.300 nan 0.000 0.555 407 T N 4.272 118.644 114.554 -0.304 0.000 2.739 407 T HA 0.221 4.571 4.350 -0.000 0.000 0.303 407 T C -0.818 173.850 174.700 -0.053 0.000 1.389 407 T CA -0.783 61.247 62.100 -0.117 0.000 1.001 407 T CB 0.892 69.788 68.868 0.046 0.000 1.436 407 T HN 0.626 nan 8.240 nan 0.000 0.500 408 N N 1.309 120.067 118.700 0.096 0.000 2.714 408 N HA -0.134 4.606 4.740 -0.000 0.000 0.253 408 N C -0.679 174.992 175.510 0.270 0.000 1.024 408 N CA 0.701 53.876 53.050 0.207 0.000 0.726 408 N CB -0.654 37.991 38.487 0.264 0.000 0.908 408 N HN 0.566 nan 8.380 nan 0.000 0.542 409 W N 1.218 122.551 121.300 0.054 0.000 2.218 409 W HA 0.355 5.015 4.660 -0.000 0.000 0.326 409 W C -0.541 176.124 176.519 0.243 0.000 1.276 409 W CA -0.286 57.132 57.345 0.121 0.000 1.210 409 W CB 0.371 29.899 29.460 0.114 0.000 1.143 409 W HN 0.235 nan 8.180 nan 0.000 0.563 410 Y N 5.310 125.161 120.300 -0.747 0.000 2.492 410 Y HA 0.419 4.969 4.550 -0.000 0.000 0.346 410 Y C -1.568 173.886 175.900 -0.744 0.000 0.997 410 Y CA -0.850 56.969 58.100 -0.468 0.000 1.025 410 Y CB 1.452 39.827 38.460 -0.142 0.000 1.263 410 Y HN 0.527 nan 8.280 nan 0.000 0.454 411 D N 1.895 121.407 120.400 -1.480 0.000 2.654 411 D HA 0.189 4.829 4.640 -0.000 0.000 0.231 411 D C -1.191 174.579 176.300 -0.883 0.000 1.239 411 D CA -0.809 52.624 54.000 -0.945 0.000 0.790 411 D CB 0.940 41.667 40.800 -0.121 0.000 1.480 411 D HN 0.455 nan 8.370 nan 0.000 0.442 412 N N 1.051 119.531 118.700 -0.366 0.000 2.276 412 N HA 0.200 4.940 4.740 -0.000 0.000 0.212 412 N C 1.314 176.856 175.510 0.054 0.000 1.127 412 N CA 0.205 53.244 53.050 -0.018 0.000 0.834 412 N CB 0.283 38.928 38.487 0.264 0.000 1.014 412 N HN 1.058 nan 8.380 nan 0.000 0.491 413 G N -1.423 107.384 108.800 0.011 0.000 2.162 413 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 413 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 413 G C 0.324 175.250 174.900 0.043 0.000 0.976 413 G CA 0.746 45.883 45.100 0.061 0.000 0.655 413 G HN 0.668 nan 8.290 nan 0.000 0.533 414 S N -1.266 114.445 115.700 0.019 0.000 3.756 414 S HA 0.425 4.895 4.470 -0.000 0.000 0.183 414 S C 0.895 175.411 174.600 -0.140 0.000 1.093 414 S CA 0.574 58.759 58.200 -0.025 0.000 1.303 414 S CB 0.235 63.507 63.200 0.119 0.000 1.593 414 S HN 0.201 nan 8.310 nan 0.000 0.841 415 N N 1.152 119.741 118.700 -0.186 0.000 2.197 415 N HA 0.280 5.020 4.740 -0.000 0.000 0.228 415 N C -1.114 174.241 175.510 -0.260 0.000 1.212 415 N CA 0.076 52.975 53.050 -0.251 0.000 0.883 415 N CB 1.068 39.375 38.487 -0.299 0.000 1.107 415 N HN 0.440 nan 8.380 nan 0.000 0.519 416 Q N 1.546 121.216 119.800 -0.218 0.000 2.400 416 Q HA 0.395 4.735 4.340 -0.000 0.000 0.255 416 Q C -0.373 175.469 176.000 -0.263 0.000 1.008 416 Q CA -0.471 55.153 55.803 -0.299 0.000 0.841 416 Q CB 2.011 30.628 28.738 -0.202 0.000 1.220 416 Q HN 0.058 nan 8.270 nan 0.000 0.474 417 V N -1.083 118.654 119.914 -0.295 0.000 3.141 417 V HA 1.061 5.181 4.120 -0.000 0.000 0.312 417 V C -1.086 174.829 176.094 -0.299 0.000 1.157 417 V CA -0.900 61.173 62.300 -0.378 0.000 1.041 417 V CB 1.982 33.551 31.823 -0.423 0.000 1.071 417 V HN 0.687 nan 8.190 nan 0.000 0.441 418 A N 1.743 124.284 122.820 -0.466 0.000 2.605 418 A HA 0.991 5.311 4.320 -0.000 0.000 0.294 418 A C -1.237 176.098 177.584 -0.414 0.000 1.062 418 A CA -0.182 51.575 52.037 -0.466 0.000 0.682 418 A CB 1.616 20.331 19.000 -0.475 0.000 1.278 418 A HN 2.418 nan 8.150 nan 0.000 0.410 419 F N -1.025 118.490 119.950 -0.725 0.000 2.741 419 F HA 0.870 5.396 4.527 -0.000 0.000 0.311 419 F C -0.030 175.410 175.800 -0.599 0.000 1.149 419 F CA -0.341 57.366 58.000 -0.488 0.000 0.930 419 F CB 0.832 39.708 39.000 -0.207 0.000 1.312 419 F HN 1.141 nan 8.300 nan 0.000 0.450 420 G N 0.432 109.271 108.800 0.063 0.000 2.600 420 G HA2 0.677 4.637 3.960 -0.000 0.000 0.303 420 G HA3 0.677 4.637 3.960 -0.000 0.000 0.303 420 G C -1.600 173.438 174.900 0.230 0.000 1.253 420 G CA -1.305 43.919 45.100 0.207 0.000 0.974 420 G HN 0.584 nan 8.290 nan 0.000 0.483 421 R N 0.426 121.048 120.500 0.204 0.000 2.352 421 R HA 0.490 4.829 4.340 -0.000 0.000 0.304 421 R C 0.878 177.237 176.300 0.097 0.000 1.104 421 R CA 0.058 56.260 56.100 0.169 0.000 0.991 421 R CB 0.359 30.761 30.300 0.169 0.000 1.140 421 R HN 1.279 nan 8.270 nan 0.000 0.540 422 G N 3.595 112.451 108.800 0.093 0.000 2.614 422 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.303 422 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.303 422 G C 0.295 175.232 174.900 0.061 0.000 1.270 422 G CA 0.749 45.889 45.100 0.067 0.000 0.988 422 G HN 0.679 nan 8.290 nan 0.000 0.551 423 N N 0.352 119.077 118.700 0.041 0.000 2.273 423 N HA 0.261 5.000 4.740 -0.000 0.000 0.231 423 N C 1.444 176.970 175.510 0.026 0.000 1.134 423 N CA 0.168 53.238 53.050 0.034 0.000 0.856 423 N CB 0.569 39.075 38.487 0.033 0.000 1.068 423 N HN 0.477 nan 8.380 nan 0.000 0.510 424 R N -0.414 120.091 120.500 0.008 0.000 2.225 424 R HA 0.379 4.719 4.340 -0.000 0.000 0.194 424 R C 0.614 176.865 176.300 -0.083 0.000 0.957 424 R CA 0.560 56.644 56.100 -0.027 0.000 1.042 424 R CB 0.366 30.627 30.300 -0.064 0.000 1.004 424 R HN 0.298 nan 8.270 nan 0.000 0.509 425 G N 0.054 108.810 108.800 -0.072 0.000 2.692 425 G HA2 0.558 4.517 3.960 -0.000 0.000 0.291 425 G HA3 0.558 4.517 3.960 -0.000 0.000 0.291 425 G C -1.954 173.062 174.900 0.193 0.000 1.423 425 G CA -0.396 44.648 45.100 -0.094 0.000 0.843 425 G HN -0.006 nan 8.290 nan 0.000 0.486 426 F N 0.247 120.241 119.950 0.074 0.000 2.615 426 F HA 0.774 5.301 4.527 -0.000 0.000 0.312 426 F C -1.080 174.653 175.800 -0.112 0.000 1.119 426 F CA -0.959 57.013 58.000 -0.046 0.000 0.979 426 F CB 2.087 41.023 39.000 -0.108 0.000 1.266 426 F HN 0.501 nan 8.300 nan 0.000 0.444 427 I N 5.446 125.445 120.570 -0.952 0.000 2.686 427 I HA 0.746 4.916 4.170 -0.000 0.000 0.295 427 I C -1.815 173.601 176.117 -1.169 0.000 1.114 427 I CA -0.747 59.998 61.300 -0.925 0.000 1.038 427 I CB 1.966 39.371 38.000 -0.991 0.000 1.238 427 I HN 0.358 nan 8.210 nan 0.000 0.420 428 V N 6.806 126.128 119.914 -0.986 0.000 2.656 428 V HA 0.553 4.673 4.120 -0.000 0.000 0.307 428 V C -1.063 174.577 176.094 -0.756 0.000 1.051 428 V CA -0.520 61.293 62.300 -0.811 0.000 0.893 428 V CB 1.812 33.210 31.823 -0.709 0.000 0.999 428 V HN 0.483 nan 8.190 nan 0.000 0.426 429 F N 2.316 122.046 119.950 -0.366 0.000 2.551 429 F HA 0.606 5.133 4.527 -0.000 0.000 0.316 429 F C 0.049 175.613 175.800 -0.395 0.000 1.089 429 F CA -0.699 57.141 58.000 -0.267 0.000 0.915 429 F CB 2.005 40.862 39.000 -0.239 0.000 1.186 429 F HN 0.482 nan 8.300 nan 0.000 0.456 430 N N 1.635 120.281 118.700 -0.091 0.000 2.576 430 N HA 0.220 4.960 4.740 -0.000 0.000 0.269 430 N C -1.045 174.376 175.510 -0.148 0.000 1.058 430 N CA -0.301 52.631 53.050 -0.197 0.000 0.860 430 N CB 0.681 39.092 38.487 -0.126 0.000 1.249 430 N HN 0.569 nan 8.380 nan 0.000 0.525 431 N N 2.014 120.581 118.700 -0.221 0.000 2.282 431 N HA 0.193 4.933 4.740 -0.000 0.000 0.240 431 N C -1.148 174.183 175.510 -0.299 0.000 1.182 431 N CA -0.207 52.714 53.050 -0.215 0.000 0.874 431 N CB 0.342 38.697 38.487 -0.221 0.000 1.126 431 N HN 0.506 nan 8.380 nan 0.000 0.516 432 D N -0.517 119.609 120.400 -0.457 0.000 2.332 432 D HA 0.154 4.793 4.640 -0.000 0.000 0.252 432 D C -0.094 175.878 176.300 -0.547 0.000 1.050 432 D CA -0.158 53.385 54.000 -0.761 0.000 0.970 432 D CB 0.976 40.800 40.800 -1.627 0.000 1.141 432 D HN 0.099 nan 8.370 nan 0.000 0.485 433 D N 0.827 120.991 120.400 -0.393 0.000 2.400 433 D HA 0.108 4.748 4.640 -0.000 0.000 0.243 433 D C -0.084 176.338 176.300 0.204 0.000 1.184 433 D CA 0.046 54.037 54.000 -0.014 0.000 0.853 433 D CB -0.112 40.763 40.800 0.125 0.000 0.944 433 D HN 0.315 nan 8.370 nan 0.000 0.501 434 W N -1.102 120.235 121.300 0.062 0.000 3.118 434 W HA 0.515 5.175 4.660 -0.000 0.000 0.328 434 W C -0.461 176.118 176.519 0.101 0.000 1.239 434 W CA -1.064 56.324 57.345 0.072 0.000 1.176 434 W CB 0.074 29.575 29.460 0.068 0.000 1.433 434 W HN -0.419 nan 8.180 nan 0.000 0.562 435 S N 1.516 117.424 115.700 0.347 0.000 2.573 435 S HA 0.309 4.779 4.470 -0.000 0.000 0.277 435 S C -1.126 173.680 174.600 0.343 0.000 1.346 435 S CA -0.188 58.165 58.200 0.256 0.000 1.034 435 S CB 0.231 63.546 63.200 0.191 0.000 0.879 435 S HN 0.442 nan 8.310 nan 0.000 0.528 436 F N 2.254 122.265 119.950 0.102 0.000 2.445 436 F HA 0.528 5.055 4.527 -0.000 0.000 0.348 436 F C -0.185 175.648 175.800 0.054 0.000 1.125 436 F CA -0.257 57.799 58.000 0.093 0.000 0.983 436 F CB 1.094 40.114 39.000 0.034 0.000 1.198 436 F HN 0.440 nan 8.300 nan 0.000 0.436 437 S N 7.716 123.082 115.700 -0.556 0.000 2.779 437 S HA 0.825 5.295 4.470 -0.000 0.000 0.293 437 S C -1.811 172.405 174.600 -0.639 0.000 1.150 437 S CA -0.455 57.448 58.200 -0.495 0.000 1.057 437 S CB 0.870 64.011 63.200 -0.098 0.000 1.021 437 S HN 0.819 nan 8.310 nan 0.000 0.485 438 L N 3.631 124.333 121.223 -0.870 0.000 2.794 438 L HA 0.601 4.941 4.340 -0.000 0.000 0.261 438 L C -0.965 175.684 176.870 -0.370 0.000 0.989 438 L CA -0.030 54.494 54.840 -0.527 0.000 0.900 438 L CB 1.929 43.612 42.059 -0.626 0.000 1.473 438 L HN 0.551 nan 8.230 nan 0.000 0.414 439 T N 3.559 118.080 114.554 -0.054 0.000 2.767 439 T HA 0.743 5.093 4.350 -0.000 0.000 0.288 439 T C -0.512 174.195 174.700 0.011 0.000 0.963 439 T CA -0.151 61.987 62.100 0.064 0.000 1.019 439 T CB 0.416 69.357 68.868 0.121 0.000 0.923 439 T HN 0.429 nan 8.240 nan 0.000 0.468 440 L N 2.409 123.684 121.223 0.087 0.000 2.333 440 L HA 0.556 4.896 4.340 -0.000 0.000 0.263 440 L C -0.111 176.726 176.870 -0.055 0.000 1.014 440 L CA -1.359 53.491 54.840 0.018 0.000 0.820 440 L CB 2.024 44.116 42.059 0.054 0.000 1.352 440 L HN 0.420 nan 8.230 nan 0.000 0.421 441 Q N 0.486 120.240 119.800 -0.076 0.000 2.296 441 Q HA 0.147 4.486 4.340 -0.000 0.000 0.263 441 Q C 0.552 176.297 176.000 -0.426 0.000 1.026 441 Q CA 0.220 55.939 55.803 -0.140 0.000 0.912 441 Q CB 1.271 29.994 28.738 -0.025 0.000 1.198 441 Q HN 0.702 nan 8.270 nan 0.000 0.407 442 T N 0.368 114.560 114.554 -0.603 0.000 3.037 442 T HA 0.259 4.609 4.350 -0.000 0.000 0.251 442 T C 1.342 175.810 174.700 -0.387 0.000 1.079 442 T CA 0.374 61.818 62.100 -1.093 0.000 1.067 442 T CB -0.080 68.253 68.868 -0.891 0.000 0.948 442 T HN 1.041 nan 8.240 nan 0.000 0.496 443 G N 1.091 109.780 108.800 -0.185 0.000 2.189 443 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.267 443 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.267 443 G C -0.151 174.724 174.900 -0.043 0.000 0.975 443 G CA 0.408 45.476 45.100 -0.054 0.000 0.644 443 G HN 0.569 nan 8.290 nan 0.000 0.537 444 L N 0.953 122.117 121.223 -0.099 0.000 2.399 444 L HA 0.617 4.956 4.340 -0.000 0.000 0.265 444 L C -1.662 175.222 176.870 0.023 0.000 1.089 444 L CA -2.226 52.577 54.840 -0.061 0.000 0.802 444 L CB 0.647 42.565 42.059 -0.236 0.000 1.180 444 L HN -0.137 nan 8.230 nan 0.000 0.454 445 P HA 0.200 nan 4.420 nan 0.000 0.271 445 P C -0.987 176.420 177.300 0.178 0.000 1.218 445 P CA -0.419 62.755 63.100 0.123 0.000 0.780 445 P CB 0.540 32.312 31.700 0.119 0.000 0.901 446 A N 2.145 125.027 122.820 0.104 0.000 2.520 446 A HA 0.506 4.825 4.320 -0.000 0.000 0.235 446 A C 0.839 178.485 177.584 0.104 0.000 1.065 446 A CA 1.239 53.339 52.037 0.104 0.000 0.764 446 A CB -0.976 18.053 19.000 0.049 0.000 1.002 446 A HN 0.780 nan 8.150 nan 0.000 0.502 447 G N -0.317 108.555 108.800 0.120 0.000 2.362 447 G HA2 0.426 4.385 3.960 -0.000 0.000 0.288 447 G HA3 0.426 4.385 3.960 -0.000 0.000 0.288 447 G C -0.717 174.216 174.900 0.055 0.000 1.305 447 G CA -0.199 44.906 45.100 0.008 0.000 0.910 447 G HN 1.057 nan 8.290 nan 0.000 0.518 448 T N 1.030 115.529 114.554 -0.092 0.000 2.758 448 T HA 0.645 4.995 4.350 -0.000 0.000 0.285 448 T C -1.192 173.357 174.700 -0.253 0.000 0.981 448 T CA 0.085 62.152 62.100 -0.056 0.000 0.965 448 T CB 0.723 69.615 68.868 0.040 0.000 0.927 448 T HN 0.401 nan 8.240 nan 0.000 0.448 449 Y N 0.573 120.760 120.300 -0.187 0.000 2.429 449 Y HA 0.434 4.984 4.550 -0.000 0.000 0.342 449 Y C 0.467 176.253 175.900 -0.190 0.000 1.004 449 Y CA -1.240 56.761 58.100 -0.164 0.000 1.075 449 Y CB 0.979 39.360 38.460 -0.132 0.000 1.214 449 Y HN 0.571 nan 8.280 nan 0.000 0.455 450 c N 2.244 120.832 118.600 -0.019 0.000 2.514 450 c HA 0.168 4.738 4.570 -0.000 0.000 0.392 450 c C 0.346 174.406 174.090 -0.050 0.000 1.294 450 c CA -0.723 55.570 56.329 -0.060 0.000 1.957 450 c CB -0.561 41.909 42.510 -0.066 0.000 2.541 450 c HN 0.787 nan 8.230 nan 0.000 0.569 451 D N 1.718 122.084 120.400 -0.057 0.000 2.339 451 D HA 0.161 4.801 4.640 -0.000 0.000 0.256 451 D C 1.001 177.264 176.300 -0.061 0.000 1.214 451 D CA -0.317 53.651 54.000 -0.053 0.000 0.877 451 D CB 0.972 41.732 40.800 -0.067 0.000 1.111 451 D HN 0.440 nan 8.370 nan 0.000 0.478 452 V N 2.596 122.486 119.914 -0.041 0.000 3.573 452 V HA 0.005 4.125 4.120 -0.000 0.000 0.270 452 V C 1.410 177.474 176.094 -0.050 0.000 1.221 452 V CA 0.320 62.617 62.300 -0.005 0.000 1.163 452 V CB -0.733 31.155 31.823 0.110 0.000 0.847 452 V HN 0.521 nan 8.190 nan 0.000 0.468 453 I N 2.163 122.633 120.570 -0.167 0.000 2.385 453 I HA -0.022 4.148 4.170 -0.000 0.000 0.244 453 I C 2.784 178.791 176.117 -0.183 0.000 1.089 453 I CA 1.903 63.032 61.300 -0.285 0.000 1.410 453 I CB -1.271 36.309 38.000 -0.701 0.000 1.117 453 I HN 0.572 nan 8.210 nan 0.000 0.429 454 S N -0.074 115.529 115.700 -0.161 0.000 2.461 454 S HA 0.214 4.683 4.470 -0.000 0.000 0.228 454 S C 1.088 175.654 174.600 -0.056 0.000 1.005 454 S CA 0.514 58.654 58.200 -0.099 0.000 0.942 454 S CB -0.200 62.948 63.200 -0.087 0.000 0.776 454 S HN 0.463 nan 8.310 nan 0.000 0.514 455 G N -0.308 108.464 108.800 -0.048 0.000 2.753 455 G HA2 0.556 4.515 3.960 -0.000 0.000 0.303 455 G HA3 0.556 4.515 3.960 -0.000 0.000 0.303 455 G C -2.207 172.690 174.900 -0.004 0.000 1.242 455 G CA -0.591 44.496 45.100 -0.021 0.000 0.810 455 G HN 0.199 nan 8.290 nan 0.000 0.515 456 D N -0.430 119.970 120.400 0.001 0.000 2.570 456 D HA 0.345 4.985 4.640 -0.000 0.000 0.244 456 D C -1.024 175.275 176.300 -0.002 0.000 1.178 456 D CA -0.539 53.469 54.000 0.013 0.000 0.881 456 D CB 2.880 43.699 40.800 0.030 0.000 1.453 456 D HN 0.394 nan 8.370 nan 0.000 0.447 457 K N 1.652 122.051 120.400 -0.001 0.000 2.253 457 K HA 0.542 4.862 4.320 -0.000 0.000 0.277 457 K C -1.054 175.544 176.600 -0.002 0.000 1.053 457 K CA -0.260 56.018 56.287 -0.015 0.000 0.892 457 K CB 0.404 32.888 32.500 -0.027 0.000 1.102 457 K HN 0.374 nan 8.250 nan 0.000 0.469 458 I N 3.717 124.284 120.570 -0.006 0.000 2.571 458 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 458 I C -0.440 175.674 176.117 -0.004 0.000 1.115 458 I CA -0.929 60.371 61.300 0.000 0.000 1.045 458 I CB 1.929 39.933 38.000 0.007 0.000 1.238 458 I HN 0.881 nan 8.210 nan 0.000 0.424 459 N N 4.196 122.894 118.700 -0.004 0.000 2.725 459 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 459 N C 0.848 176.351 175.510 -0.011 0.000 1.031 459 N CA 0.552 53.599 53.050 -0.006 0.000 0.720 459 N CB -0.582 37.904 38.487 -0.003 0.000 0.930 459 N HN 1.200 nan 8.380 nan 0.000 0.543 460 G N -0.950 107.840 108.800 -0.017 0.000 2.179 460 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 460 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 460 G C -0.174 174.710 174.900 -0.026 0.000 1.010 460 G CA 0.621 45.706 45.100 -0.025 0.000 0.736 460 G HN 0.631 nan 8.290 nan 0.000 0.513 461 N N -1.792 116.893 118.700 -0.024 0.000 2.825 461 N HA 0.507 5.247 4.740 -0.000 0.000 0.253 461 N C -0.684 174.811 175.510 -0.024 0.000 1.426 461 N CA 0.120 53.157 53.050 -0.022 0.000 0.851 461 N CB 1.621 40.100 38.487 -0.012 0.000 1.470 461 N HN 0.131 nan 8.380 nan 0.000 0.517 462 c N 0.169 118.754 118.600 -0.025 0.000 2.391 462 c HA 0.474 5.044 4.570 -0.000 0.000 0.339 462 c C 1.928 176.007 174.090 -0.019 0.000 1.205 462 c CA -0.452 55.860 56.329 -0.029 0.000 1.937 462 c CB 0.835 43.318 42.510 -0.045 0.000 2.341 462 c HN 0.836 nan 8.230 nan 0.000 0.516 463 T N -1.213 113.331 114.554 -0.016 0.000 3.044 463 T HA 0.331 4.681 4.350 -0.000 0.000 0.250 463 T C 0.779 175.470 174.700 -0.015 0.000 1.081 463 T CA 0.655 62.749 62.100 -0.010 0.000 1.040 463 T CB 0.145 69.011 68.868 -0.003 0.000 0.962 463 T HN 0.872 nan 8.240 nan 0.000 0.506 464 G N 0.906 109.691 108.800 -0.025 0.000 3.264 464 G HA2 0.654 4.614 3.960 -0.000 0.000 0.168 464 G HA3 0.654 4.614 3.960 -0.000 0.000 0.168 464 G C -0.632 174.244 174.900 -0.040 0.000 1.145 464 G CA -1.213 43.868 45.100 -0.031 0.000 0.855 464 G HN 0.397 nan 8.290 nan 0.000 0.629 465 I N 1.043 121.583 120.570 -0.051 0.000 2.813 465 I HA 0.143 4.313 4.170 -0.000 0.000 0.287 465 I C 0.071 176.128 176.117 -0.101 0.000 1.196 465 I CA 0.666 61.928 61.300 -0.062 0.000 1.421 465 I CB 0.636 38.602 38.000 -0.056 0.000 1.365 465 I HN 0.138 nan 8.210 nan 0.000 0.591 466 K N 6.287 126.592 120.400 -0.158 0.000 2.345 466 K HA 0.588 4.908 4.320 -0.000 0.000 0.255 466 K C -1.169 175.107 176.600 -0.539 0.000 0.934 466 K CA -0.807 55.295 56.287 -0.308 0.000 0.801 466 K CB 2.464 34.781 32.500 -0.306 0.000 1.137 466 K HN 0.324 nan 8.250 nan 0.000 0.424 467 I N 2.950 123.191 120.570 -0.548 0.000 2.474 467 I HA 0.315 4.484 4.170 -0.000 0.000 0.294 467 I C -0.790 174.947 176.117 -0.634 0.000 1.005 467 I CA -0.909 60.041 61.300 -0.583 0.000 1.113 467 I CB 1.139 38.908 38.000 -0.384 0.000 1.289 467 I HN 0.512 nan 8.210 nan 0.000 0.436 468 Y N 4.378 124.612 120.300 -0.109 0.000 2.334 468 Y HA 0.459 5.009 4.550 -0.000 0.000 0.336 468 Y C 0.191 176.053 175.900 -0.064 0.000 0.960 468 Y CA -0.961 57.112 58.100 -0.045 0.000 1.164 468 Y CB 1.537 39.961 38.460 -0.060 0.000 1.155 468 Y HN 0.156 nan 8.280 nan 0.000 0.478 469 V N 3.905 123.903 119.914 0.140 0.000 2.407 469 V HA 0.354 4.474 4.120 -0.000 0.000 0.278 469 V C 0.290 176.426 176.094 0.070 0.000 1.037 469 V CA -0.775 61.561 62.300 0.060 0.000 0.900 469 V CB 1.155 33.027 31.823 0.082 0.000 0.983 469 V HN 0.915 nan 8.190 nan 0.000 0.459 470 S N 2.680 118.395 115.700 0.024 0.000 2.655 470 S HA 0.187 4.657 4.470 -0.000 0.000 0.265 470 S C 0.792 175.400 174.600 0.014 0.000 1.240 470 S CA -0.533 57.677 58.200 0.016 0.000 0.986 470 S CB 0.725 63.924 63.200 -0.002 0.000 0.985 470 S HN 0.677 nan 8.310 nan 0.000 0.562 471 D N 1.040 121.445 120.400 0.008 0.000 2.265 471 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 471 D C 0.796 177.099 176.300 0.005 0.000 0.977 471 D CA 1.612 55.616 54.000 0.008 0.000 0.871 471 D CB -0.457 40.344 40.800 0.002 0.000 0.925 471 D HN 0.849 nan 8.370 nan 0.000 0.485 472 D N -1.809 118.590 120.400 -0.001 0.000 2.342 472 D HA 0.260 4.900 4.640 -0.000 0.000 0.221 472 D C 1.464 177.756 176.300 -0.015 0.000 1.101 472 D CA 0.430 54.428 54.000 -0.004 0.000 0.837 472 D CB 0.297 41.096 40.800 -0.003 0.000 0.938 472 D HN 0.109 nan 8.370 nan 0.000 0.508 473 G N 0.138 108.926 108.800 -0.021 0.000 2.225 473 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.254 473 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.254 473 G C 0.297 175.142 174.900 -0.092 0.000 0.988 473 G CA 0.079 45.147 45.100 -0.053 0.000 0.625 473 G HN 0.419 nan 8.290 nan 0.000 0.527 474 K N 0.755 121.119 120.400 -0.059 0.000 2.258 474 K HA 0.627 4.946 4.320 -0.000 0.000 0.264 474 K C 0.255 176.816 176.600 -0.066 0.000 1.007 474 K CA 0.521 56.772 56.287 -0.059 0.000 0.941 474 K CB 1.246 33.731 32.500 -0.024 0.000 0.966 474 K HN 0.894 nan 8.250 nan 0.000 0.480 475 A N 1.659 124.438 122.820 -0.068 0.000 2.574 475 A HA 0.299 4.619 4.320 -0.000 0.000 0.297 475 A C -1.876 175.593 177.584 -0.192 0.000 1.062 475 A CA -0.728 51.201 52.037 -0.179 0.000 0.686 475 A CB 1.049 19.823 19.000 -0.375 0.000 1.285 475 A HN 0.823 nan 8.150 nan 0.000 0.403 476 H N 0.314 119.172 119.070 -0.353 0.000 2.489 476 H HA 0.709 5.265 4.556 -0.000 0.000 0.322 476 H C -1.503 173.567 175.328 -0.429 0.000 1.091 476 H CA -0.045 55.859 56.048 -0.241 0.000 1.291 476 H CB 0.409 30.090 29.762 -0.135 0.000 1.436 476 H HN 0.418 nan 8.280 nan 0.000 0.480 477 F N 2.074 121.743 119.950 -0.469 0.000 2.532 477 F HA 0.417 4.944 4.527 -0.000 0.000 0.321 477 F C -0.067 175.513 175.800 -0.368 0.000 1.089 477 F CA -0.751 57.110 58.000 -0.232 0.000 0.926 477 F CB 2.204 41.206 39.000 0.003 0.000 1.168 477 F HN 0.423 nan 8.300 nan 0.000 0.459 478 S N 3.910 119.639 115.700 0.048 0.000 2.733 478 S HA 0.783 5.253 4.470 -0.000 0.000 0.294 478 S C -1.236 173.446 174.600 0.136 0.000 1.149 478 S CA -0.380 57.839 58.200 0.031 0.000 1.034 478 S CB 0.276 63.508 63.200 0.053 0.000 1.015 478 S HN 0.522 nan 8.310 nan 0.000 0.486 479 I N 3.443 124.136 120.570 0.204 0.000 2.468 479 I HA 0.338 4.508 4.170 -0.000 0.000 0.285 479 I C 0.108 176.317 176.117 0.155 0.000 1.039 479 I CA -0.645 60.762 61.300 0.178 0.000 1.074 479 I CB 2.084 40.200 38.000 0.194 0.000 1.228 479 I HN 0.554 nan 8.210 nan 0.000 0.436 480 S N 4.471 120.234 115.700 0.105 0.000 2.565 480 S HA 0.111 4.581 4.470 -0.000 0.000 0.274 480 S C 1.354 175.999 174.600 0.076 0.000 1.309 480 S CA -0.657 57.599 58.200 0.094 0.000 1.043 480 S CB 0.560 63.805 63.200 0.075 0.000 0.939 480 S HN 0.760 nan 8.310 nan 0.000 0.504 481 N N 3.290 122.031 118.700 0.068 0.000 2.609 481 N HA -0.048 4.692 4.740 -0.000 0.000 0.190 481 N C 0.582 176.114 175.510 0.037 0.000 1.157 481 N CA 0.407 53.475 53.050 0.030 0.000 0.918 481 N CB -0.108 38.387 38.487 0.013 0.000 0.978 481 N HN 0.371 nan 8.380 nan 0.000 0.448 482 S N -0.484 115.246 115.700 0.049 0.000 2.539 482 S HA 0.336 4.806 4.470 -0.000 0.000 0.221 482 S C 0.767 175.392 174.600 0.041 0.000 0.987 482 S CA -0.414 57.813 58.200 0.044 0.000 0.929 482 S CB 0.337 63.564 63.200 0.046 0.000 0.832 482 S HN 0.611 nan 8.310 nan 0.000 0.492 483 A N 1.853 124.700 122.820 0.045 0.000 2.531 483 A HA 0.120 4.439 4.320 -0.000 0.000 0.236 483 A C 1.344 178.952 177.584 0.039 0.000 1.062 483 A CA -0.034 52.026 52.037 0.039 0.000 0.760 483 A CB 0.060 19.086 19.000 0.042 0.000 0.995 483 A HN 0.502 nan 8.150 nan 0.000 0.501 484 E N 1.029 121.244 120.200 0.025 0.000 2.086 484 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 484 E C -0.476 176.154 176.600 0.050 0.000 1.012 484 E CA 1.698 58.113 56.400 0.024 0.000 0.812 484 E CB 0.050 29.752 29.700 0.002 0.000 0.743 484 E HN 0.704 nan 8.360 nan 0.000 0.453 485 D N 0.597 121.022 120.400 0.042 0.000 2.440 485 D HA 0.128 4.768 4.640 -0.000 0.000 0.252 485 D C -2.217 174.152 176.300 0.115 0.000 1.180 485 D CA -1.491 52.569 54.000 0.100 0.000 0.894 485 D CB 1.656 42.435 40.800 -0.035 0.000 1.111 485 D HN 0.181 nan 8.370 nan 0.000 0.544 486 P HA 0.009 nan 4.420 nan 0.000 0.286 486 P C -0.665 176.795 177.300 0.266 0.000 1.577 486 P CA 0.047 63.254 63.100 0.179 0.000 0.805 486 P CB -0.814 30.958 31.700 0.121 0.000 1.706 487 F N -1.699 118.198 119.950 -0.090 0.000 2.654 487 F HA 0.639 5.166 4.527 -0.000 0.000 0.308 487 F C -1.578 174.076 175.800 -0.243 0.000 1.108 487 F CA -2.305 55.543 58.000 -0.252 0.000 0.957 487 F CB 0.634 39.394 39.000 -0.400 0.000 1.309 487 F HN -0.326 nan 8.300 nan 0.000 0.446 488 I N 2.361 122.730 120.570 -0.336 0.000 2.569 488 I HA 0.823 4.993 4.170 -0.000 0.000 0.296 488 I C -0.721 175.216 176.117 -0.301 0.000 1.028 488 I CA -1.196 59.933 61.300 -0.285 0.000 1.082 488 I CB 2.097 40.086 38.000 -0.019 0.000 1.264 488 I HN 1.011 nan 8.210 nan 0.000 0.429 489 A N 7.348 130.045 122.820 -0.205 0.000 2.381 489 A HA 0.868 5.187 4.320 -0.000 0.000 0.299 489 A C -0.905 176.744 177.584 0.108 0.000 1.049 489 A CA -0.456 51.528 52.037 -0.088 0.000 0.715 489 A CB 1.199 20.084 19.000 -0.190 0.000 1.222 489 A HN 0.712 nan 8.150 nan 0.000 0.428 490 I N 0.249 120.945 120.570 0.209 0.000 2.730 490 I HA 0.936 5.106 4.170 -0.000 0.000 0.298 490 I C -0.631 175.558 176.117 0.120 0.000 1.089 490 I CA -0.904 60.452 61.300 0.093 0.000 1.041 490 I CB 2.324 40.317 38.000 -0.011 0.000 1.235 490 I HN 0.917 nan 8.210 nan 0.000 0.423 491 H N 2.935 122.056 119.070 0.085 0.000 2.966 491 H HA 0.749 5.305 4.556 -0.000 0.000 0.330 491 H C 0.480 175.879 175.328 0.118 0.000 1.292 491 H CA -0.420 55.589 56.048 -0.065 0.000 1.127 491 H CB 1.228 30.782 29.762 -0.345 0.000 1.863 491 H HN 0.649 nan 8.280 nan 0.000 0.543 492 A N 0.117 123.091 122.820 0.256 0.000 1.997 492 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 492 A C 1.532 179.230 177.584 0.190 0.000 1.172 492 A CA 1.960 54.135 52.037 0.230 0.000 0.645 492 A CB -0.669 18.401 19.000 0.117 0.000 0.813 492 A HN 0.737 nan 8.150 nan 0.000 0.454 493 E N -0.128 120.284 120.200 0.354 0.000 2.489 493 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 493 E C 1.320 177.957 176.600 0.061 0.000 1.057 493 E CA 0.825 57.358 56.400 0.221 0.000 0.866 493 E CB -0.016 29.843 29.700 0.265 0.000 0.916 493 E HN 0.737 nan 8.360 nan 0.000 0.500 494 S N -0.290 115.300 115.700 -0.183 0.000 2.593 494 S HA 0.156 4.625 4.470 -0.000 0.000 0.236 494 S C 0.614 175.130 174.600 -0.140 0.000 0.991 494 S CA -0.488 57.578 58.200 -0.223 0.000 0.963 494 S CB 0.238 63.172 63.200 -0.444 0.000 0.865 494 S HN -0.050 nan 8.310 nan 0.000 0.488 495 K N 1.987 122.277 120.400 -0.184 0.000 2.322 495 K HA 0.367 4.687 4.320 -0.000 0.000 0.283 495 K C -0.108 176.313 176.600 -0.299 0.000 1.042 495 K CA -0.554 55.438 56.287 -0.491 0.000 0.958 495 K CB 0.472 32.586 32.500 -0.644 0.000 0.984 495 K HN 0.320 nan 8.250 nan 0.000 0.473 496 L N 0.000 121.053 121.223 -0.284 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.743 54.840 -0.161 0.000 0.813 496 L CB 0.000 41.990 42.059 -0.115 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502