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 1xcw_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 0.000 175.960 175.900 0.100 0.000 1.272 2 Y CA 0.000 58.181 58.100 0.135 0.000 1.940 2 Y CB 0.000 38.478 38.460 0.029 0.000 1.050 3 S N 4.636 120.419 115.700 0.139 0.000 2.554 3 S HA 0.471 4.941 4.470 0.001 0.000 0.278 3 S C -2.693 171.691 174.600 -0.360 0.000 1.242 3 S CA -1.112 57.019 58.200 -0.115 0.000 1.051 3 S CB 1.160 64.328 63.200 -0.053 0.000 0.986 3 S HN -0.042 nan 8.310 nan 0.000 0.502 4 P HA 0.310 nan 4.420 nan 0.000 0.292 4 P C -1.115 175.989 177.300 -0.326 0.000 1.326 4 P CA -0.686 61.828 63.100 -0.976 0.000 0.787 4 P CB 0.264 31.052 31.700 -1.519 0.000 0.903 5 N N 1.112 119.748 118.700 -0.106 0.000 2.926 5 N HA 0.025 4.766 4.740 0.001 0.000 0.284 5 N C 0.654 176.244 175.510 0.133 0.000 1.303 5 N CA 0.099 53.172 53.050 0.038 0.000 1.062 5 N CB -0.565 37.927 38.487 0.009 0.000 1.389 5 N HN 0.460 nan 8.380 nan 0.000 0.538 6 T N -3.218 111.369 114.554 0.055 0.000 2.882 6 T HA 0.122 4.473 4.350 0.001 0.000 0.287 6 T C 0.279 175.020 174.700 0.067 0.000 1.014 6 T CA -0.922 61.236 62.100 0.097 0.000 1.049 6 T CB 1.318 70.255 68.868 0.114 0.000 1.001 6 T HN 0.205 nan 8.240 nan 0.000 0.525 7 Q N 0.699 120.530 119.800 0.052 0.000 2.364 7 Q HA 0.077 4.418 4.340 0.001 0.000 0.267 7 Q C 0.190 176.202 176.000 0.020 0.000 0.999 7 Q CA -0.307 55.512 55.803 0.026 0.000 0.886 7 Q CB 0.525 29.266 28.738 0.005 0.000 1.243 7 Q HN 0.729 nan 8.270 nan 0.000 0.415 8 Q N 1.513 121.321 119.800 0.012 0.000 2.263 8 Q HA 0.088 4.429 4.340 0.001 0.000 0.289 8 Q C 0.451 176.448 176.000 -0.005 0.000 1.061 8 Q CA 1.299 57.105 55.803 0.005 0.000 0.927 8 Q CB 0.055 28.794 28.738 0.002 0.000 1.154 8 Q HN 0.969 nan 8.270 nan 0.000 0.378 9 G N 3.804 112.598 108.800 -0.010 0.000 2.213 9 G HA2 -0.235 3.726 3.960 0.001 0.000 0.226 9 G HA3 -0.235 3.726 3.960 0.001 0.000 0.226 9 G C -0.202 174.676 174.900 -0.037 0.000 0.992 9 G CA -0.176 44.908 45.100 -0.028 0.000 0.632 9 G HN 0.587 nan 8.290 nan 0.000 0.511 10 R N 0.771 121.262 120.500 -0.015 0.000 2.343 10 R HA 0.560 4.900 4.340 0.001 0.000 0.320 10 R C 0.861 177.166 176.300 0.008 0.000 0.956 10 R CA 0.229 56.316 56.100 -0.022 0.000 0.836 10 R CB 1.144 31.450 30.300 0.009 0.000 1.151 10 R HN 0.290 nan 8.270 nan 0.000 0.450 11 T N -2.596 111.918 114.554 -0.067 0.000 3.132 11 T HA 0.246 4.597 4.350 0.001 0.000 0.274 11 T C 0.376 174.799 174.700 -0.461 0.000 1.011 11 T CA -0.260 61.775 62.100 -0.109 0.000 0.899 11 T CB 0.427 69.223 68.868 -0.120 0.000 1.089 11 T HN 0.259 nan 8.240 nan 0.000 0.543 12 S N 1.197 116.684 115.700 -0.354 0.000 2.595 12 S HA 0.813 5.283 4.470 0.001 0.000 0.281 12 S C -0.796 173.716 174.600 -0.147 0.000 1.117 12 S CA -1.058 56.863 58.200 -0.466 0.000 0.873 12 S CB 1.704 64.708 63.200 -0.326 0.000 1.108 12 S HN 0.574 nan 8.310 nan 0.000 0.477 13 I N -1.101 119.403 120.570 -0.111 0.000 2.846 13 I HA 0.925 5.095 4.170 0.001 0.000 0.307 13 I C -1.044 175.131 176.117 0.098 0.000 1.053 13 I CA -1.104 60.253 61.300 0.095 0.000 1.050 13 I CB 1.805 39.870 38.000 0.108 0.000 1.239 13 I HN 0.432 nan 8.210 nan 0.000 0.439 14 V N 2.593 122.573 119.914 0.112 0.000 2.656 14 V HA 0.432 4.553 4.120 0.001 0.000 0.307 14 V C -1.233 174.874 176.094 0.022 0.000 1.051 14 V CA -0.332 61.987 62.300 0.032 0.000 0.893 14 V CB 1.724 33.470 31.823 -0.129 0.000 0.999 14 V HN 0.876 nan 8.190 nan 0.000 0.426 15 H N 6.781 125.801 119.070 -0.084 0.000 2.820 15 H HA 0.428 4.985 4.556 0.001 0.000 0.278 15 H C -0.404 174.839 175.328 -0.142 0.000 1.142 15 H CA -0.596 55.424 56.048 -0.047 0.000 1.346 15 H CB 0.535 30.300 29.762 0.005 0.000 1.438 15 H HN 0.613 nan 8.280 nan 0.000 0.473 16 L N 6.944 128.049 121.223 -0.198 0.000 2.466 16 L HA 0.099 4.440 4.340 0.001 0.000 0.248 16 L C 0.106 176.855 176.870 -0.201 0.000 1.240 16 L CA -0.636 53.799 54.840 -0.676 0.000 1.180 16 L CB -0.752 40.644 42.059 -1.104 0.000 1.413 16 L HN 0.452 nan 8.230 nan 0.000 0.406 17 F N 4.163 123.857 119.950 -0.426 0.000 2.569 17 F HA -0.064 4.463 4.527 0.000 0.000 0.395 17 F C 1.411 177.417 175.800 0.342 0.000 1.028 17 F CA 0.304 58.149 58.000 -0.258 0.000 1.158 17 F CB -0.077 38.690 39.000 -0.390 0.000 1.023 17 F HN 0.508 nan 8.300 nan 0.000 0.547 18 E N 2.414 122.633 120.200 0.032 0.000 3.370 18 E HA -0.308 4.042 4.350 0.001 0.000 0.291 18 E C -0.529 176.188 176.600 0.196 0.000 0.916 18 E CA 0.942 57.343 56.400 0.003 0.000 0.981 18 E CB -1.692 27.893 29.700 -0.192 0.000 1.498 18 E HN 0.618 nan 8.360 nan 0.000 0.452 19 W N 1.535 122.778 121.300 -0.094 0.000 2.170 19 W HA 0.198 4.858 4.660 0.000 0.000 0.336 19 W C 1.535 177.896 176.519 -0.263 0.000 1.283 19 W CA -0.003 57.181 57.345 -0.267 0.000 1.224 19 W CB 0.295 29.606 29.460 -0.248 0.000 1.132 19 W HN -0.100 nan 8.180 nan 0.000 0.571 20 R N 1.759 122.171 120.500 -0.147 0.000 2.582 20 R HA 0.066 4.406 4.340 0.001 0.000 0.271 20 R C 1.084 177.406 176.300 0.038 0.000 1.078 20 R CA -0.316 55.642 56.100 -0.237 0.000 1.127 20 R CB 0.521 30.700 30.300 -0.202 0.000 1.038 20 R HN 0.705 nan 8.270 nan 0.000 0.500 21 W N 0.629 121.969 121.300 0.066 0.000 2.338 21 W HA -0.219 4.441 4.660 0.001 0.000 0.304 21 W C 1.943 178.468 176.519 0.010 0.000 1.212 21 W CA 0.088 57.463 57.345 0.049 0.000 1.264 21 W CB -0.235 29.271 29.460 0.077 0.000 1.142 21 W HN 0.415 nan 8.180 nan 0.000 0.512 22 V N 0.977 121.023 119.914 0.220 0.000 2.515 22 V HA -0.248 3.872 4.120 0.001 0.000 0.250 22 V C 1.663 177.799 176.094 0.071 0.000 1.058 22 V CA 2.209 64.576 62.300 0.112 0.000 1.064 22 V CB -0.493 31.366 31.823 0.060 0.000 0.675 22 V HN 0.069 nan 8.190 nan 0.000 0.461 23 D N -0.173 120.256 120.400 0.048 0.000 2.149 23 D HA -0.052 4.588 4.640 0.001 0.000 0.201 23 D C 2.061 178.479 176.300 0.197 0.000 0.972 23 D CA 1.474 55.484 54.000 0.017 0.000 0.835 23 D CB -0.019 40.648 40.800 -0.221 0.000 0.966 23 D HN 0.477 nan 8.370 nan 0.000 0.476 24 I N 1.333 122.061 120.570 0.264 0.000 2.252 24 I HA -0.218 3.952 4.170 0.001 0.000 0.245 24 I C 2.546 178.711 176.117 0.080 0.000 1.102 24 I CA 0.806 62.228 61.300 0.203 0.000 1.385 24 I CB -0.230 37.884 38.000 0.190 0.000 1.064 24 I HN -0.098 nan 8.210 nan 0.000 0.414 25 A N 1.062 123.918 122.820 0.060 0.000 1.908 25 A HA -0.187 4.133 4.320 0.001 0.000 0.218 25 A C 2.325 179.921 177.584 0.020 0.000 1.181 25 A CA 1.524 53.563 52.037 0.003 0.000 0.627 25 A CB -0.841 18.159 19.000 -0.000 0.000 0.818 25 A HN 0.383 nan 8.150 nan 0.000 0.445 26 L N -1.258 119.994 121.223 0.047 0.000 2.056 26 L HA -0.169 4.171 4.340 0.001 0.000 0.207 26 L C 2.676 179.590 176.870 0.074 0.000 1.078 26 L CA 1.718 56.588 54.840 0.049 0.000 0.749 26 L CB -0.414 41.670 42.059 0.042 0.000 0.901 26 L HN 0.453 nan 8.230 nan 0.000 0.433 27 E N -0.372 119.893 120.200 0.109 0.000 2.153 27 E HA -0.208 4.142 4.350 0.001 0.000 0.194 27 E C 2.237 178.886 176.600 0.082 0.000 0.988 27 E CA 1.326 57.807 56.400 0.135 0.000 0.811 27 E CB -0.231 29.578 29.700 0.181 0.000 0.746 27 E HN 0.417 nan 8.360 nan 0.000 0.466 28 c N 0.561 119.176 118.600 0.025 0.000 2.429 28 c HA -0.102 4.468 4.570 0.001 0.000 0.277 28 c C 2.286 176.386 174.090 0.017 0.000 1.262 28 c CA 1.252 57.577 56.329 -0.007 0.000 1.733 28 c CB -0.829 41.649 42.510 -0.052 0.000 2.010 28 c HN 0.541 nan 8.230 nan 0.000 0.483 29 E N 0.474 120.690 120.200 0.026 0.000 2.086 29 E HA -0.126 4.224 4.350 0.001 0.000 0.190 29 E C 2.285 178.919 176.600 0.056 0.000 0.975 29 E CA 0.722 57.140 56.400 0.029 0.000 0.813 29 E CB -0.270 29.443 29.700 0.021 0.000 0.768 29 E HN 0.697 nan 8.360 nan 0.000 0.457 30 R N -0.851 119.701 120.500 0.087 0.000 2.276 30 R HA 0.003 4.344 4.340 0.001 0.000 0.196 30 R C 1.025 177.449 176.300 0.208 0.000 0.961 30 R CA 0.949 57.122 56.100 0.121 0.000 1.024 30 R CB 0.100 30.468 30.300 0.114 0.000 0.940 30 R HN 0.224 nan 8.270 nan 0.000 0.480 31 Y N -0.030 120.290 120.300 0.033 0.000 3.260 31 Y HA 0.242 4.792 4.550 0.001 0.000 0.202 31 Y C 1.744 177.676 175.900 0.053 0.000 0.962 31 Y CA -0.256 57.870 58.100 0.042 0.000 1.582 31 Y CB 0.093 38.571 38.460 0.030 0.000 1.478 31 Y HN -0.162 nan 8.280 nan 0.000 0.384 32 L N 0.636 121.918 121.223 0.099 0.000 1.997 32 L HA -0.282 4.058 4.340 0.001 0.000 0.216 32 L C 2.602 179.546 176.870 0.122 0.000 1.074 32 L CA 1.881 56.739 54.840 0.032 0.000 0.763 32 L CB -1.071 40.969 42.059 -0.031 0.000 0.890 32 L HN 0.394 nan 8.230 nan 0.000 0.434 33 A N 0.221 123.074 122.820 0.055 0.000 1.858 33 A HA -0.102 4.218 4.320 0.001 0.000 0.216 33 A C 0.177 177.774 177.584 0.022 0.000 1.190 33 A CA 1.634 53.694 52.037 0.038 0.000 0.617 33 A CB -1.870 17.137 19.000 0.012 0.000 0.827 33 A HN 0.295 nan 8.150 nan 0.000 0.443 34 P HA -0.126 nan 4.420 nan 0.000 0.217 34 P C 0.725 177.993 177.300 -0.052 0.000 1.148 34 P CA 1.392 64.474 63.100 -0.029 0.000 0.828 34 P CB 0.010 31.689 31.700 -0.035 0.000 0.783 35 K N -1.801 118.559 120.400 -0.068 0.000 2.417 35 K HA 0.348 4.668 4.320 0.001 0.000 0.196 35 K C 1.090 177.679 176.600 -0.019 0.000 1.023 35 K CA 0.535 56.793 56.287 -0.048 0.000 1.122 35 K CB -0.688 31.747 32.500 -0.109 0.000 0.850 35 K HN 0.083 nan 8.250 nan 0.000 0.521 36 G N 0.674 109.482 108.800 0.014 0.000 2.160 36 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 36 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 36 G C -0.306 174.531 174.900 -0.104 0.000 1.022 36 G CA -0.394 44.673 45.100 -0.055 0.000 0.741 36 G HN 0.187 nan 8.290 nan 0.000 0.508 37 F N 0.366 120.295 119.950 -0.036 0.000 2.443 37 F HA 0.514 5.042 4.527 0.001 0.000 0.353 37 F C 1.752 177.553 175.800 0.001 0.000 1.101 37 F CA 0.757 58.749 58.000 -0.013 0.000 1.226 37 F CB 1.476 40.479 39.000 0.005 0.000 1.140 37 F HN -0.001 nan 8.300 nan 0.000 0.557 38 G N 1.361 110.253 108.800 0.152 0.000 2.494 38 G HA2 0.417 4.378 3.960 0.001 0.000 0.216 38 G HA3 0.417 4.378 3.960 0.001 0.000 0.216 38 G C 0.448 175.479 174.900 0.217 0.000 1.140 38 G CA 0.600 45.794 45.100 0.156 0.000 0.801 38 G HN 1.005 nan 8.290 nan 0.000 0.536 39 G N -1.894 107.065 108.800 0.266 0.000 2.495 39 G HA2 0.467 4.427 3.960 0.001 0.000 0.294 39 G HA3 0.467 4.427 3.960 0.001 0.000 0.294 39 G C -2.214 172.835 174.900 0.247 0.000 1.397 39 G CA -0.340 44.947 45.100 0.311 0.000 0.790 39 G HN 0.459 nan 8.290 nan 0.000 0.486 40 V N 0.401 120.445 119.914 0.218 0.000 2.577 40 V HA 0.540 4.660 4.120 0.001 0.000 0.303 40 V C -0.205 176.034 176.094 0.242 0.000 1.042 40 V CA -0.678 61.699 62.300 0.128 0.000 0.872 40 V CB 1.614 33.415 31.823 -0.037 0.000 0.998 40 V HN 0.878 nan 8.190 nan 0.000 0.423 41 Q N 3.435 123.387 119.800 0.253 0.000 2.274 41 Q HA 0.672 5.013 4.340 0.001 0.000 0.256 41 Q C -0.668 175.510 176.000 0.296 0.000 0.927 41 Q CA -0.430 55.542 55.803 0.282 0.000 0.939 41 Q CB 1.910 30.747 28.738 0.165 0.000 1.201 41 Q HN 0.811 nan 8.270 nan 0.000 0.426 42 V N 0.788 120.876 119.914 0.290 0.000 3.093 42 V HA 0.641 4.762 4.120 0.001 0.000 0.320 42 V C -0.016 176.349 176.094 0.452 0.000 1.093 42 V CA -0.847 61.693 62.300 0.400 0.000 1.016 42 V CB 1.703 33.764 31.823 0.397 0.000 1.096 42 V HN 0.786 nan 8.190 nan 0.000 0.452 43 S N 1.891 117.903 115.700 0.521 0.000 2.624 43 S HA 0.406 4.876 4.470 0.001 0.000 0.263 43 S C -2.448 172.369 174.600 0.362 0.000 1.287 43 S CA -0.496 57.951 58.200 0.411 0.000 0.990 43 S CB 0.309 63.686 63.200 0.294 0.000 0.950 43 S HN 0.832 nan 8.310 nan 0.000 0.561 44 P HA 0.046 nan 4.420 nan 0.000 0.258 44 P C -1.884 175.562 177.300 0.243 0.000 1.172 44 P CA -0.622 62.558 63.100 0.134 0.000 0.762 44 P CB 0.096 31.739 31.700 -0.096 0.000 0.764 45 P HA -0.033 nan 4.420 nan 0.000 0.255 45 P C -0.293 177.118 177.300 0.185 0.000 1.248 45 P CA 0.513 63.809 63.100 0.325 0.000 0.807 45 P CB 0.273 31.924 31.700 -0.083 0.000 1.150 46 N N 0.486 119.272 118.700 0.144 0.000 2.508 46 N HA 0.068 4.808 4.740 0.001 0.000 0.285 46 N C -0.204 175.302 175.510 -0.007 0.000 1.144 46 N CA -0.508 52.574 53.050 0.053 0.000 0.978 46 N CB 1.402 39.856 38.487 -0.054 0.000 1.180 46 N HN -0.047 nan 8.380 nan 0.000 0.484 47 E N 0.433 120.608 120.200 -0.042 0.000 2.502 47 E HA -0.106 4.244 4.350 0.001 0.000 0.261 47 E C -0.372 176.154 176.600 -0.123 0.000 0.974 47 E CA 0.121 56.479 56.400 -0.070 0.000 0.936 47 E CB 0.301 29.957 29.700 -0.074 0.000 0.926 47 E HN 0.742 nan 8.360 nan 0.000 0.459 48 N N 1.806 120.434 118.700 -0.121 0.000 2.629 48 N HA 0.263 5.003 4.740 0.001 0.000 0.279 48 N C -0.982 174.420 175.510 -0.180 0.000 1.344 48 N CA -0.770 52.190 53.050 -0.150 0.000 0.789 48 N CB 1.003 39.422 38.487 -0.114 0.000 1.508 48 N HN 0.183 nan 8.380 nan 0.000 0.516 49 V N 0.313 120.114 119.914 -0.188 0.000 2.614 49 V HA 0.350 4.471 4.120 0.001 0.000 0.291 49 V C 0.602 176.637 176.094 -0.099 0.000 1.049 49 V CA -0.584 61.624 62.300 -0.153 0.000 1.038 49 V CB 0.639 32.416 31.823 -0.077 0.000 0.980 49 V HN 0.841 nan 8.190 nan 0.000 0.481 50 A N 7.047 129.838 122.820 -0.047 0.000 2.310 50 A HA 0.646 4.966 4.320 0.001 0.000 0.300 50 A C -0.333 177.125 177.584 -0.210 0.000 1.269 50 A CA -0.272 51.661 52.037 -0.174 0.000 0.909 50 A CB -0.286 18.682 19.000 -0.053 0.000 1.144 50 A HN 0.766 nan 8.150 nan 0.000 0.540 51 I N 2.514 122.852 120.570 -0.388 0.000 2.321 51 I HA 0.235 4.405 4.170 0.001 0.000 0.291 51 I C -0.280 175.527 176.117 -0.517 0.000 0.998 51 I CA -0.115 61.002 61.300 -0.305 0.000 1.227 51 I CB 1.279 39.115 38.000 -0.274 0.000 1.368 51 I HN 0.785 nan 8.210 nan 0.000 0.466 52 Y N 3.567 123.804 120.300 -0.106 0.000 2.467 52 Y HA 0.208 4.758 4.550 0.000 0.000 0.250 52 Y C 0.562 176.462 175.900 0.000 0.000 1.155 52 Y CA -0.378 57.696 58.100 -0.043 0.000 1.249 52 Y CB 0.339 38.825 38.460 0.045 0.000 1.146 52 Y HN 0.535 nan 8.280 nan 0.000 0.524 53 N N 1.377 120.095 118.700 0.030 0.000 2.621 53 N HA 0.217 4.958 4.740 0.001 0.000 0.271 53 N C -2.949 172.497 175.510 -0.105 0.000 1.181 53 N CA -1.538 51.492 53.050 -0.033 0.000 0.805 53 N CB 1.113 39.613 38.487 0.022 0.000 1.351 53 N HN -0.182 nan 8.380 nan 0.000 0.539 54 P HA 0.133 nan 4.420 nan 0.000 0.273 54 P C -0.529 176.571 177.300 -0.334 0.000 1.250 54 P CA -0.315 62.434 63.100 -0.585 0.000 0.793 54 P CB 0.555 31.400 31.700 -1.425 0.000 1.011 55 F N 2.783 122.548 119.950 -0.308 0.000 2.502 55 F HA 0.087 4.614 4.527 0.000 0.000 0.361 55 F C 0.778 176.528 175.800 -0.084 0.000 1.157 55 F CA -0.120 57.831 58.000 -0.082 0.000 1.096 55 F CB -0.270 38.776 39.000 0.076 0.000 1.141 55 F HN 0.231 nan 8.300 nan 0.000 0.579 56 R N 3.408 123.436 120.500 -0.787 0.000 3.188 56 R HA -0.160 4.180 4.340 0.001 0.000 0.247 56 R C -2.594 173.430 176.300 -0.460 0.000 0.918 56 R CA 0.322 55.974 56.100 -0.747 0.000 0.629 56 R CB -2.480 27.264 30.300 -0.926 0.000 1.087 56 R HN 0.423 nan 8.270 nan 0.000 0.462 57 P HA -0.075 nan 4.420 nan 0.000 0.270 57 P C 1.583 178.531 177.300 -0.586 0.000 1.223 57 P CA -0.369 62.351 63.100 -0.634 0.000 0.785 57 P CB 0.231 30.973 31.700 -1.596 0.000 0.923 58 W N 3.585 124.725 121.300 -0.267 0.000 2.342 58 W HA -0.139 4.522 4.660 0.000 0.000 0.297 58 W C 1.707 178.298 176.519 0.121 0.000 1.213 58 W CA 0.973 58.303 57.345 -0.025 0.000 1.251 58 W CB -1.891 27.728 29.460 0.264 0.000 1.136 58 W HN 0.471 nan 8.180 nan 0.000 0.526 59 W N 3.472 124.283 121.300 -0.814 0.000 2.848 59 W HA -0.006 4.655 4.660 0.001 0.000 0.241 59 W C 1.545 177.966 176.519 -0.164 0.000 1.289 59 W CA 0.941 57.878 57.345 -0.680 0.000 1.396 59 W CB -1.416 27.282 29.460 -1.269 0.000 1.138 59 W HN 0.251 nan 8.180 nan 0.000 0.677 60 E N 1.746 121.832 120.200 -0.190 0.000 2.274 60 E HA -0.137 4.213 4.350 0.001 0.000 0.194 60 E C 1.824 178.424 176.600 0.000 0.000 0.996 60 E CA 0.628 56.983 56.400 -0.075 0.000 0.840 60 E CB -0.519 28.997 29.700 -0.306 0.000 0.772 60 E HN 0.242 nan 8.360 nan 0.000 0.491 61 R N -0.374 120.124 120.500 -0.004 0.000 2.316 61 R HA -0.027 4.313 4.340 0.001 0.000 0.202 61 R C 0.376 176.535 176.300 -0.235 0.000 1.029 61 R CA 0.681 56.712 56.100 -0.115 0.000 1.018 61 R CB -0.048 30.165 30.300 -0.144 0.000 0.888 61 R HN 0.312 nan 8.270 nan 0.000 0.471 62 Y N 0.315 120.734 120.300 0.199 0.000 2.625 62 Y HA 0.209 4.759 4.550 0.001 0.000 0.285 62 Y C 0.131 176.169 175.900 0.231 0.000 1.168 62 Y CA -0.074 58.174 58.100 0.247 0.000 1.250 62 Y CB 0.579 39.239 38.460 0.332 0.000 1.130 62 Y HN -0.106 nan 8.280 nan 0.000 0.526 63 Q N 1.195 121.108 119.800 0.188 0.000 2.798 63 Q HA 0.282 4.622 4.340 0.001 0.000 0.250 63 Q C -2.729 173.265 176.000 -0.010 0.000 1.006 63 Q CA -2.052 53.833 55.803 0.137 0.000 0.759 63 Q CB 1.410 30.226 28.738 0.131 0.000 1.201 63 Q HN 0.075 nan 8.270 nan 0.000 0.486 64 P HA -0.047 nan 4.420 nan 0.000 0.269 64 P C 0.136 177.291 177.300 -0.242 0.000 1.209 64 P CA 0.125 63.127 63.100 -0.164 0.000 0.776 64 P CB 1.191 32.784 31.700 -0.178 0.000 0.876 65 V N 0.461 120.202 119.914 -0.288 0.000 3.371 65 V HA 0.125 4.246 4.120 0.001 0.000 0.246 65 V C 0.755 176.730 176.094 -0.197 0.000 1.303 65 V CA 1.311 63.451 62.300 -0.267 0.000 1.156 65 V CB 0.500 32.054 31.823 -0.448 0.000 0.929 65 V HN 0.797 nan 8.190 nan 0.000 0.459 66 S N -2.072 113.418 115.700 -0.349 0.000 2.703 66 S HA 0.467 4.938 4.470 0.001 0.000 0.273 66 S C -1.000 173.232 174.600 -0.613 0.000 1.178 66 S CA -0.376 57.538 58.200 -0.476 0.000 0.838 66 S CB 0.925 63.998 63.200 -0.211 0.000 1.178 66 S HN -0.032 nan 8.310 nan 0.000 0.494 67 Y N 0.891 121.033 120.300 -0.263 0.000 2.658 67 Y HA 0.466 5.016 4.550 0.001 0.000 0.276 67 Y C 0.474 176.281 175.900 -0.155 0.000 1.167 67 Y CA -0.887 56.973 58.100 -0.400 0.000 1.230 67 Y CB -0.152 37.999 38.460 -0.516 0.000 1.144 67 Y HN 0.393 nan 8.280 nan 0.000 0.529 68 K N 0.975 121.374 120.400 -0.001 0.000 2.368 68 K HA 0.202 4.523 4.320 0.001 0.000 0.282 68 K C -0.631 176.010 176.600 0.069 0.000 1.035 68 K CA -0.513 55.797 56.287 0.038 0.000 0.973 68 K CB 0.754 33.264 32.500 0.016 0.000 0.957 68 K HN -0.027 nan 8.250 nan 0.000 0.474 69 L N 3.990 125.271 121.223 0.097 0.000 2.415 69 L HA 0.077 4.417 4.340 0.001 0.000 0.269 69 L C -0.303 176.655 176.870 0.147 0.000 1.244 69 L CA 0.259 55.152 54.840 0.088 0.000 1.113 69 L CB -0.280 41.779 42.059 0.001 0.000 1.352 69 L HN 0.603 nan 8.230 nan 0.000 0.433 70 c N 2.400 121.079 118.600 0.133 0.000 2.982 70 c HA 0.723 5.294 4.570 0.001 0.000 0.372 70 c C 0.176 174.310 174.090 0.073 0.000 1.061 70 c CA 0.143 56.544 56.329 0.119 0.000 1.309 70 c CB 0.046 42.606 42.510 0.082 0.000 1.766 70 c HN 0.903 nan 8.230 nan 0.000 0.504 71 T N 2.028 116.619 114.554 0.063 0.000 2.654 71 T HA 0.513 4.863 4.350 0.001 0.000 0.289 71 T C 0.875 175.513 174.700 -0.103 0.000 1.062 71 T CA -0.673 61.412 62.100 -0.024 0.000 1.041 71 T CB 1.053 69.913 68.868 -0.013 0.000 1.417 71 T HN 0.544 nan 8.240 nan 0.000 0.510 72 R N 0.118 120.523 120.500 -0.158 0.000 2.285 72 R HA 0.072 4.412 4.340 0.001 0.000 0.213 72 R C 1.977 178.101 176.300 -0.293 0.000 1.068 72 R CA 0.790 56.778 56.100 -0.187 0.000 1.004 72 R CB -0.348 29.841 30.300 -0.185 0.000 0.873 72 R HN 0.533 nan 8.270 nan 0.000 0.467 73 S N -0.496 114.910 115.700 -0.490 0.000 2.446 73 S HA 0.137 4.608 4.470 0.001 0.000 0.225 73 S C 0.781 174.795 174.600 -0.977 0.000 1.016 73 S CA 0.712 58.343 58.200 -0.947 0.000 0.943 73 S CB 0.722 62.789 63.200 -1.888 0.000 0.786 73 S HN 0.629 nan 8.310 nan 0.000 0.508 74 G N 1.315 109.799 108.800 -0.528 0.000 2.368 74 G HA2 0.190 4.150 3.960 0.001 0.000 0.302 74 G HA3 0.190 4.150 3.960 0.001 0.000 0.302 74 G C -1.450 173.597 174.900 0.244 0.000 1.329 74 G CA -0.715 44.338 45.100 -0.078 0.000 0.935 74 G HN 0.335 nan 8.290 nan 0.000 0.590 75 N N -0.649 118.229 118.700 0.298 0.000 2.476 75 N HA 0.427 5.168 4.740 0.001 0.000 0.287 75 N C 1.031 176.748 175.510 0.345 0.000 1.262 75 N CA 0.060 53.271 53.050 0.268 0.000 0.980 75 N CB 1.024 39.614 38.487 0.171 0.000 1.163 75 N HN 0.713 nan 8.380 nan 0.000 0.592 76 E N -0.957 119.390 120.200 0.244 0.000 2.077 76 E HA -0.222 4.128 4.350 0.001 0.000 0.193 76 E C 0.390 177.132 176.600 0.237 0.000 0.989 76 E CA 1.241 57.782 56.400 0.236 0.000 0.800 76 E CB -0.081 29.735 29.700 0.192 0.000 0.746 76 E HN 0.519 nan 8.360 nan 0.000 0.452 77 D N 0.451 120.966 120.400 0.191 0.000 2.144 77 D HA -0.154 4.487 4.640 0.001 0.000 0.199 77 D C 1.697 178.091 176.300 0.157 0.000 0.984 77 D CA 1.022 55.113 54.000 0.152 0.000 0.834 77 D CB -0.081 40.792 40.800 0.120 0.000 0.955 77 D HN 0.364 nan 8.370 nan 0.000 0.465 78 E N -0.219 120.114 120.200 0.221 0.000 2.150 78 E HA -0.129 4.221 4.350 0.001 0.000 0.193 78 E C 1.891 178.611 176.600 0.200 0.000 0.985 78 E CA 0.266 56.813 56.400 0.246 0.000 0.814 78 E CB -0.142 29.764 29.700 0.344 0.000 0.752 78 E HN 0.234 nan 8.360 nan 0.000 0.466 79 F N 2.083 122.037 119.950 0.007 0.000 2.113 79 F HA -0.113 4.414 4.527 0.001 0.000 0.297 79 F C 2.211 177.849 175.800 -0.269 0.000 1.103 79 F CA 1.388 59.128 58.000 -0.432 0.000 1.248 79 F CB 0.125 38.823 39.000 -0.502 0.000 0.999 79 F HN -0.207 nan 8.300 nan 0.000 0.475 80 R N 0.161 120.652 120.500 -0.014 0.000 2.081 80 R HA -0.200 4.140 4.340 0.001 0.000 0.235 80 R C 2.192 178.415 176.300 -0.128 0.000 1.131 80 R CA 1.372 57.432 56.100 -0.067 0.000 0.960 80 R CB -1.115 29.222 30.300 0.061 0.000 0.856 80 R HN 0.426 nan 8.270 nan 0.000 0.436 81 N N 1.292 119.952 118.700 -0.067 0.000 2.166 81 N HA -0.187 4.554 4.740 0.001 0.000 0.186 81 N C 1.804 177.242 175.510 -0.121 0.000 1.019 81 N CA 1.158 54.179 53.050 -0.048 0.000 0.856 81 N CB 0.031 38.524 38.487 0.010 0.000 0.993 81 N HN 0.247 nan 8.380 nan 0.000 0.426 82 M N 0.563 120.037 119.600 -0.210 0.000 2.099 82 M HA -0.113 4.368 4.480 0.001 0.000 0.262 82 M C 1.855 177.927 176.300 -0.380 0.000 1.067 82 M CA 1.231 56.372 55.300 -0.265 0.000 1.124 82 M CB -0.051 32.358 32.600 -0.318 0.000 1.353 82 M HN -0.060 nan 8.290 nan 0.000 0.410 83 V N 0.660 120.241 119.914 -0.554 0.000 2.343 83 V HA -0.255 3.866 4.120 0.001 0.000 0.247 83 V C 2.338 178.122 176.094 -0.516 0.000 1.051 83 V CA 2.333 64.289 62.300 -0.574 0.000 1.036 83 V CB -1.322 30.133 31.823 -0.615 0.000 0.654 83 V HN 0.579 nan 8.190 nan 0.000 0.451 84 T N -0.102 114.250 114.554 -0.336 0.000 2.674 84 T HA -0.218 4.132 4.350 0.001 0.000 0.265 84 T C 2.083 176.678 174.700 -0.175 0.000 1.039 84 T CA 1.826 63.814 62.100 -0.187 0.000 1.150 84 T CB -0.257 68.658 68.868 0.078 0.000 0.864 84 T HN 0.428 nan 8.240 nan 0.000 0.427 85 R N 0.108 120.528 120.500 -0.134 0.000 2.081 85 R HA -0.039 4.302 4.340 0.001 0.000 0.235 85 R C 2.833 179.043 176.300 -0.150 0.000 1.131 85 R CA 1.408 57.450 56.100 -0.097 0.000 0.960 85 R CB -0.860 29.402 30.300 -0.064 0.000 0.856 85 R HN 0.378 nan 8.270 nan 0.000 0.436 86 c N 0.735 119.203 118.600 -0.219 0.000 2.432 86 c HA -0.042 4.529 4.570 0.001 0.000 0.277 86 c C 2.329 176.238 174.090 -0.301 0.000 1.249 86 c CA 0.532 56.724 56.329 -0.228 0.000 1.725 86 c CB -0.995 41.361 42.510 -0.257 0.000 2.028 86 c HN 0.511 nan 8.230 nan 0.000 0.477 87 N N 1.490 119.887 118.700 -0.505 0.000 2.166 87 N HA -0.094 4.647 4.740 0.001 0.000 0.186 87 N C 1.273 176.501 175.510 -0.470 0.000 1.019 87 N CA 1.083 53.690 53.050 -0.737 0.000 0.856 87 N CB -0.635 36.858 38.487 -1.656 0.000 0.993 87 N HN 0.506 nan 8.380 nan 0.000 0.426 88 N N 0.064 118.622 118.700 -0.238 0.000 2.520 88 N HA -0.068 4.673 4.740 0.001 0.000 0.185 88 N C 1.100 176.589 175.510 -0.035 0.000 1.068 88 N CA 0.227 53.276 53.050 -0.000 0.000 0.911 88 N CB 0.162 38.692 38.487 0.072 0.000 0.961 88 N HN 0.046 nan 8.380 nan 0.000 0.446 89 V N -0.894 118.969 119.914 -0.085 0.000 3.319 89 V HA 0.326 4.447 4.120 0.001 0.000 0.317 89 V C 0.952 177.010 176.094 -0.061 0.000 1.411 89 V CA 0.612 62.880 62.300 -0.054 0.000 1.112 89 V CB -0.325 31.474 31.823 -0.040 0.000 1.031 89 V HN 0.375 nan 8.190 nan 0.000 0.448 90 G N 0.531 109.270 108.800 -0.101 0.000 2.143 90 G HA2 -0.197 3.763 3.960 0.001 0.000 0.249 90 G HA3 -0.197 3.763 3.960 0.001 0.000 0.249 90 G C 0.089 174.944 174.900 -0.075 0.000 0.981 90 G CA 0.247 45.294 45.100 -0.088 0.000 0.665 90 G HN 0.685 nan 8.290 nan 0.000 0.528 91 V N 2.494 122.345 119.914 -0.105 0.000 2.347 91 V HA 0.565 4.685 4.120 0.001 0.000 0.280 91 V C 0.604 176.607 176.094 -0.152 0.000 1.021 91 V CA -1.260 60.995 62.300 -0.074 0.000 0.847 91 V CB 1.361 33.151 31.823 -0.055 0.000 0.990 91 V HN 0.316 nan 8.190 nan 0.000 0.444 92 R N 4.192 124.623 120.500 -0.114 0.000 2.560 92 R HA 0.523 4.863 4.340 0.001 0.000 0.270 92 R C -0.563 175.484 176.300 -0.421 0.000 1.074 92 R CA -0.625 55.312 56.100 -0.271 0.000 1.140 92 R CB 0.970 31.116 30.300 -0.256 0.000 1.073 92 R HN 0.426 nan 8.270 nan 0.000 0.527 93 I N 2.805 123.011 120.570 -0.607 0.000 2.433 93 I HA 0.285 4.456 4.170 0.001 0.000 0.292 93 I C -0.682 174.998 176.117 -0.728 0.000 1.001 93 I CA -0.910 60.075 61.300 -0.524 0.000 1.119 93 I CB 1.167 38.901 38.000 -0.445 0.000 1.289 93 I HN 0.416 nan 8.210 nan 0.000 0.438 94 Y N 4.740 125.007 120.300 -0.056 0.000 2.341 94 Y HA 0.472 5.022 4.550 0.001 0.000 0.338 94 Y C 0.187 176.060 175.900 -0.045 0.000 0.965 94 Y CA -0.920 57.149 58.100 -0.051 0.000 1.108 94 Y CB 1.892 40.453 38.460 0.170 0.000 1.180 94 Y HN 0.174 nan 8.280 nan 0.000 0.458 95 V N 2.958 122.841 119.914 -0.051 0.000 2.481 95 V HA 0.123 4.243 4.120 0.001 0.000 0.286 95 V C -0.162 176.033 176.094 0.168 0.000 1.042 95 V CA -0.778 61.567 62.300 0.075 0.000 0.928 95 V CB 1.457 33.316 31.823 0.061 0.000 0.986 95 V HN 0.654 nan 8.190 nan 0.000 0.462 96 D N 4.199 124.712 120.400 0.188 0.000 2.374 96 D HA 0.337 4.978 4.640 0.001 0.000 0.240 96 D C 0.136 176.562 176.300 0.211 0.000 1.229 96 D CA -0.039 54.067 54.000 0.177 0.000 0.895 96 D CB 1.075 42.006 40.800 0.219 0.000 1.046 96 D HN 0.700 nan 8.370 nan 0.000 0.498 97 A N 4.037 126.973 122.820 0.193 0.000 2.279 97 A HA 0.396 4.717 4.320 0.001 0.000 0.306 97 A C -0.107 177.557 177.584 0.132 0.000 1.300 97 A CA -0.655 51.493 52.037 0.185 0.000 0.925 97 A CB 0.622 19.666 19.000 0.072 0.000 1.152 97 A HN 0.372 nan 8.150 nan 0.000 0.544 98 V N 5.403 125.394 119.914 0.129 0.000 2.284 98 V HA 0.186 4.306 4.120 0.001 0.000 0.260 98 V C 0.820 176.887 176.094 -0.045 0.000 1.084 98 V CA 0.293 62.616 62.300 0.037 0.000 0.894 98 V CB -0.311 31.529 31.823 0.028 0.000 1.119 98 V HN 0.875 nan 8.190 nan 0.000 0.484 99 I N 0.762 121.297 120.570 -0.059 0.000 4.240 99 I HA 0.351 4.522 4.170 0.001 0.000 0.331 99 I C 1.496 177.578 176.117 -0.059 0.000 1.381 99 I CA 0.230 61.502 61.300 -0.047 0.000 1.136 99 I CB 0.191 38.165 38.000 -0.043 0.000 1.137 99 I HN 0.470 nan 8.210 nan 0.000 0.411 100 N N 1.531 120.181 118.700 -0.083 0.000 2.354 100 N HA -0.064 4.676 4.740 0.001 0.000 0.179 100 N C 0.540 176.104 175.510 0.089 0.000 1.021 100 N CA 1.004 54.088 53.050 0.057 0.000 0.887 100 N CB 0.174 38.803 38.487 0.236 0.000 0.974 100 N HN 0.689 nan 8.380 nan 0.000 0.437 101 H N -3.738 115.359 119.070 0.045 0.000 2.933 101 H HA 0.301 4.858 4.556 0.001 0.000 0.310 101 H C -0.484 174.848 175.328 0.006 0.000 1.351 101 H CA -0.867 55.201 56.048 0.033 0.000 1.137 101 H CB 0.452 30.234 29.762 0.034 0.000 1.853 101 H HN -0.185 nan 8.280 nan 0.000 0.539 102 M N 0.707 120.384 119.600 0.129 0.000 2.325 102 M HA 0.315 4.795 4.480 0.001 0.000 0.220 102 M C 0.997 177.351 176.300 0.091 0.000 0.728 102 M CA -0.313 54.945 55.300 -0.070 0.000 1.790 102 M CB 0.148 32.481 32.600 -0.445 0.000 1.150 102 M HN 0.873 nan 8.290 nan 0.000 0.887 103 C N 0.046 119.377 119.300 0.052 0.000 2.411 103 C HA 0.809 5.269 4.460 0.001 0.000 0.358 103 C C 0.976 176.039 174.990 0.122 0.000 1.349 103 C CA -0.845 58.243 59.018 0.118 0.000 2.326 103 C CB -0.278 27.518 27.740 0.093 0.000 2.166 103 C HN 0.838 nan 8.230 nan 0.000 0.609 104 G N 1.788 110.647 108.800 0.099 0.000 2.414 104 G HA2 0.139 4.099 3.960 0.001 0.000 0.236 104 G HA3 0.139 4.099 3.960 0.001 0.000 0.236 104 G C 0.933 175.870 174.900 0.061 0.000 1.293 104 G CA 0.320 45.451 45.100 0.050 0.000 0.869 104 G HN 1.055 nan 8.290 nan 0.000 0.556 105 N N 1.614 120.321 118.700 0.010 0.000 2.381 105 N HA -0.113 4.628 4.740 0.001 0.000 0.182 105 N C 1.701 177.212 175.510 0.001 0.000 1.025 105 N CA 1.125 54.172 53.050 -0.005 0.000 0.888 105 N CB 0.013 38.477 38.487 -0.040 0.000 0.965 105 N HN 0.438 nan 8.380 nan 0.000 0.438 106 A N 0.763 123.587 122.820 0.007 0.000 2.275 106 A HA 0.281 4.602 4.320 0.001 0.000 0.212 106 A C 0.791 178.390 177.584 0.026 0.000 1.201 106 A CA -0.340 51.701 52.037 0.006 0.000 0.843 106 A CB 0.063 19.060 19.000 -0.004 0.000 0.873 106 A HN 0.098 nan 8.150 nan 0.000 0.492 107 V N 1.805 121.758 119.914 0.065 0.000 2.673 107 V HA 0.042 4.162 4.120 0.001 0.000 0.303 107 V C 0.755 176.880 176.094 0.051 0.000 1.046 107 V CA 0.027 62.391 62.300 0.107 0.000 1.126 107 V CB 0.931 32.888 31.823 0.223 0.000 0.934 107 V HN 0.428 nan 8.190 nan 0.000 0.487 108 S N 3.782 119.494 115.700 0.020 0.000 2.549 108 S HA 0.404 4.874 4.470 0.001 0.000 0.283 108 S C 0.505 174.971 174.600 -0.224 0.000 1.320 108 S CA -0.178 57.983 58.200 -0.065 0.000 1.058 108 S CB 0.845 64.022 63.200 -0.038 0.000 0.882 108 S HN 1.065 nan 8.310 nan 0.000 0.498 109 A N 2.620 125.269 122.820 -0.286 0.000 2.386 109 A HA 0.723 5.043 4.320 0.001 0.000 0.248 109 A C 0.983 178.308 177.584 -0.432 0.000 1.082 109 A CA 0.405 52.135 52.037 -0.513 0.000 0.789 109 A CB -0.217 18.592 19.000 -0.320 0.000 1.025 109 A HN 1.310 nan 8.150 nan 0.000 0.490 110 G N -0.645 107.797 108.800 -0.598 0.000 2.334 110 G HA2 0.387 4.347 3.960 0.001 0.000 0.249 110 G HA3 0.387 4.347 3.960 0.001 0.000 0.249 110 G C 0.032 174.821 174.900 -0.185 0.000 1.327 110 G CA 0.547 45.529 45.100 -0.197 0.000 0.979 110 G HN 1.694 nan 8.290 nan 0.000 0.471 111 T N -2.264 112.302 114.554 0.019 0.000 3.331 111 T HA 0.515 4.866 4.350 0.001 0.000 0.282 111 T C 0.796 175.624 174.700 0.214 0.000 1.010 111 T CA 0.965 63.160 62.100 0.160 0.000 0.928 111 T CB 0.689 69.648 68.868 0.150 0.000 1.154 111 T HN 1.140 nan 8.240 nan 0.000 0.516 112 S N 2.872 118.715 115.700 0.239 0.000 4.183 112 S HA 0.426 4.896 4.470 0.001 0.000 0.195 112 S C 0.332 175.143 174.600 0.351 0.000 1.421 112 S CA -0.535 57.834 58.200 0.281 0.000 0.920 112 S CB -1.057 62.295 63.200 0.254 0.000 1.525 112 S HN 0.773 nan 8.310 nan 0.000 0.447 113 S N 0.822 116.683 115.700 0.268 0.000 2.632 113 S HA 0.404 4.874 4.470 0.001 0.000 0.289 113 S C 1.121 175.758 174.600 0.062 0.000 1.115 113 S CA -0.297 57.977 58.200 0.124 0.000 0.889 113 S CB 1.051 64.317 63.200 0.109 0.000 1.116 113 S HN 0.443 nan 8.310 nan 0.000 0.486 114 T N -2.967 111.584 114.554 -0.006 0.000 3.025 114 T HA -0.079 4.272 4.350 0.001 0.000 0.270 114 T C 1.038 175.749 174.700 0.018 0.000 1.126 114 T CA 1.019 63.112 62.100 -0.011 0.000 1.105 114 T CB -0.666 68.173 68.868 -0.047 0.000 0.884 114 T HN 0.650 nan 8.240 nan 0.000 0.522 115 c N 0.471 119.093 118.600 0.035 0.000 3.512 115 c HA 0.672 5.243 4.570 0.001 0.000 0.276 115 c C 1.961 176.093 174.090 0.069 0.000 1.592 115 c CA -0.153 56.205 56.329 0.048 0.000 1.803 115 c CB -0.762 41.772 42.510 0.041 0.000 2.996 115 c HN 0.884 nan 8.230 nan 0.000 0.590 116 G N 1.630 110.485 108.800 0.092 0.000 2.162 116 G HA2 -0.225 3.735 3.960 0.001 0.000 0.260 116 G HA3 -0.225 3.735 3.960 0.001 0.000 0.260 116 G C 0.202 175.189 174.900 0.145 0.000 0.976 116 G CA 0.614 45.782 45.100 0.114 0.000 0.655 116 G HN 0.595 nan 8.290 nan 0.000 0.533 117 S N -0.149 115.640 115.700 0.149 0.000 2.562 117 S HA 0.419 4.890 4.470 0.001 0.000 0.281 117 S C 0.037 174.820 174.600 0.306 0.000 1.333 117 S CA -0.300 58.008 58.200 0.181 0.000 1.052 117 S CB 0.818 64.090 63.200 0.120 0.000 0.884 117 S HN 0.596 nan 8.310 nan 0.000 0.506 118 Y N 4.219 124.610 120.300 0.151 0.000 2.304 118 Y HA 0.550 5.101 4.550 0.001 0.000 0.327 118 Y C -0.518 175.503 175.900 0.202 0.000 1.209 118 Y CA -1.114 57.052 58.100 0.110 0.000 1.299 118 Y CB 0.334 38.797 38.460 0.005 0.000 1.249 118 Y HN 0.570 nan 8.280 nan 0.000 0.519 119 F N 3.148 122.492 119.950 -1.009 0.000 2.665 119 F HA 0.432 4.959 4.527 0.000 0.000 0.308 119 F C -1.914 173.235 175.800 -1.086 0.000 1.112 119 F CA -1.396 56.025 58.000 -0.966 0.000 0.972 119 F CB 1.280 39.985 39.000 -0.491 0.000 1.295 119 F HN 0.430 nan 8.300 nan 0.000 0.440 120 N N 3.149 121.284 118.700 -0.941 0.000 2.648 120 N HA 0.398 5.138 4.740 0.001 0.000 0.261 120 N C -2.566 172.655 175.510 -0.482 0.000 1.138 120 N CA -2.055 50.608 53.050 -0.645 0.000 0.804 120 N CB 2.165 40.401 38.487 -0.420 0.000 1.237 120 N HN 0.293 nan 8.380 nan 0.000 0.532 121 P HA -0.052 nan 4.420 nan 0.000 0.215 121 P C 1.345 178.577 177.300 -0.114 0.000 1.157 121 P CA 1.332 64.366 63.100 -0.110 0.000 0.868 121 P CB 0.186 31.915 31.700 0.047 0.000 0.788 122 G N -0.154 108.582 108.800 -0.106 0.000 2.505 122 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 122 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 122 G C 1.432 176.293 174.900 -0.064 0.000 1.145 122 G CA 1.512 46.567 45.100 -0.074 0.000 0.761 122 G HN 0.455 nan 8.290 nan 0.000 0.571 123 S N -1.167 114.486 115.700 -0.078 0.000 2.572 123 S HA 0.336 4.806 4.470 0.001 0.000 0.228 123 S C 1.062 175.658 174.600 -0.006 0.000 0.963 123 S CA 0.100 58.282 58.200 -0.030 0.000 0.939 123 S CB 0.370 63.560 63.200 -0.016 0.000 0.804 123 S HN 0.221 nan 8.310 nan 0.000 0.480 124 R N 0.990 121.456 120.500 -0.057 0.000 3.641 124 R HA -0.114 4.226 4.340 0.001 0.000 0.286 124 R C -1.538 174.889 176.300 0.211 0.000 1.153 124 R CA 0.802 56.923 56.100 0.035 0.000 0.775 124 R CB -2.722 27.629 30.300 0.085 0.000 1.215 124 R HN 0.476 nan 8.270 nan 0.000 0.474 125 D N 0.028 120.365 120.400 -0.105 0.000 2.359 125 D HA 0.295 4.935 4.640 0.001 0.000 0.230 125 D C -0.338 175.741 176.300 -0.369 0.000 1.118 125 D CA -0.001 53.958 54.000 -0.069 0.000 0.844 125 D CB 0.289 41.054 40.800 -0.057 0.000 1.059 125 D HN 0.024 nan 8.370 nan 0.000 0.493 126 F N 3.586 123.656 119.950 0.199 0.000 2.660 126 F HA 0.236 4.763 4.527 0.000 0.000 0.352 126 F C -1.363 174.502 175.800 0.109 0.000 1.257 126 F CA -1.606 56.490 58.000 0.161 0.000 1.200 126 F CB 1.728 40.873 39.000 0.241 0.000 1.473 126 F HN 0.177 nan 8.300 nan 0.000 0.561 127 P HA -0.212 nan 4.420 nan 0.000 0.221 127 P C 1.360 178.722 177.300 0.103 0.000 1.145 127 P CA 1.340 64.530 63.100 0.150 0.000 0.795 127 P CB 0.346 32.149 31.700 0.171 0.000 0.775 128 A N -0.463 122.415 122.820 0.097 0.000 2.119 128 A HA 0.001 4.321 4.320 0.001 0.000 0.217 128 A C 2.282 179.837 177.584 -0.049 0.000 1.153 128 A CA 1.015 53.072 52.037 0.033 0.000 0.692 128 A CB -1.159 17.860 19.000 0.031 0.000 0.799 128 A HN 0.097 nan 8.150 nan 0.000 0.458 129 V N 0.443 120.297 119.914 -0.101 0.000 2.283 129 V HA 0.031 4.152 4.120 0.001 0.000 0.239 129 V C -1.418 174.580 176.094 -0.161 0.000 1.035 129 V CA 1.334 63.472 62.300 -0.269 0.000 1.018 129 V CB -0.924 30.483 31.823 -0.693 0.000 0.658 129 V HN 0.482 nan 8.190 nan 0.000 0.459 130 P HA 0.413 nan 4.420 nan 0.000 0.292 130 P C -1.987 175.356 177.300 0.071 0.000 1.300 130 P CA -0.270 62.837 63.100 0.011 0.000 0.900 130 P CB 1.926 33.681 31.700 0.092 0.000 1.139 131 Y N -0.424 120.038 120.300 0.269 0.000 2.545 131 Y HA 0.515 5.066 4.550 0.001 0.000 0.348 131 Y C 0.883 177.004 175.900 0.368 0.000 1.002 131 Y CA -0.451 57.827 58.100 0.295 0.000 1.039 131 Y CB 2.334 40.935 38.460 0.234 0.000 1.271 131 Y HN 0.520 nan 8.280 nan 0.000 0.467 132 S N -0.973 115.040 115.700 0.522 0.000 2.806 132 S HA 0.591 5.062 4.470 0.001 0.000 0.306 132 S C 0.963 175.906 174.600 0.570 0.000 1.167 132 S CA -0.266 58.196 58.200 0.436 0.000 0.847 132 S CB 1.198 64.519 63.200 0.203 0.000 1.216 132 S HN 0.832 nan 8.310 nan 0.000 0.532 133 G N -0.299 108.793 108.800 0.487 0.000 2.462 133 G HA2 -0.117 3.844 3.960 0.001 0.000 0.220 133 G HA3 -0.117 3.844 3.960 0.001 0.000 0.220 133 G C 0.622 175.848 174.900 0.543 0.000 1.121 133 G CA 0.463 45.870 45.100 0.513 0.000 0.758 133 G HN 0.687 nan 8.290 nan 0.000 0.559 134 W N 1.128 122.534 121.300 0.177 0.000 2.611 134 W HA 0.181 4.841 4.660 0.001 0.000 0.251 134 W C 0.871 177.426 176.519 0.061 0.000 1.265 134 W CA 0.232 57.636 57.345 0.099 0.000 1.295 134 W CB 0.217 29.705 29.460 0.047 0.000 1.129 134 W HN 0.163 nan 8.180 nan 0.000 0.630 135 D N -1.553 118.986 120.400 0.231 0.000 2.388 135 D HA 0.104 4.745 4.640 0.001 0.000 0.221 135 D C -0.306 175.671 176.300 -0.539 0.000 1.133 135 D CA 0.326 54.247 54.000 -0.133 0.000 0.831 135 D CB -0.178 40.495 40.800 -0.212 0.000 0.962 135 D HN -0.025 nan 8.370 nan 0.000 0.502 136 F N 0.138 120.112 119.950 0.039 0.000 2.618 136 F HA 0.322 4.850 4.527 0.001 0.000 0.332 136 F C 1.311 177.120 175.800 0.015 0.000 1.061 136 F CA -1.081 56.922 58.000 0.004 0.000 0.974 136 F CB 0.925 39.939 39.000 0.024 0.000 1.310 136 F HN -0.364 nan 8.300 nan 0.000 0.491 137 N N 0.901 119.733 118.700 0.221 0.000 2.322 137 N HA -0.020 4.721 4.740 0.001 0.000 0.216 137 N C 0.616 176.188 175.510 0.103 0.000 1.144 137 N CA 0.295 53.422 53.050 0.129 0.000 0.830 137 N CB -0.221 38.336 38.487 0.116 0.000 1.034 137 N HN 0.555 nan 8.380 nan 0.000 0.484 138 D N 0.430 120.901 120.400 0.119 0.000 2.133 138 D HA -0.135 4.505 4.640 0.001 0.000 0.195 138 D C 1.759 178.081 176.300 0.035 0.000 0.997 138 D CA 1.182 55.221 54.000 0.065 0.000 0.840 138 D CB -0.109 40.728 40.800 0.060 0.000 0.947 138 D HN 0.348 nan 8.370 nan 0.000 0.452 139 G N 0.177 108.993 108.800 0.026 0.000 2.712 139 G HA2 -0.153 3.808 3.960 0.001 0.000 0.212 139 G HA3 -0.153 3.808 3.960 0.001 0.000 0.212 139 G C 1.522 176.424 174.900 0.002 0.000 1.142 139 G CA 0.128 45.227 45.100 -0.002 0.000 0.789 139 G HN 0.215 nan 8.290 nan 0.000 0.535 140 K N -0.465 119.948 120.400 0.023 0.000 2.202 140 K HA 0.067 4.388 4.320 0.001 0.000 0.201 140 K C 0.940 177.565 176.600 0.041 0.000 1.051 140 K CA -0.141 56.164 56.287 0.031 0.000 0.977 140 K CB -0.075 32.455 32.500 0.050 0.000 0.792 140 K HN 0.195 nan 8.250 nan 0.000 0.469 141 c N 2.652 121.278 118.600 0.043 0.000 2.634 141 c HA 0.130 4.700 4.570 0.001 0.000 0.418 141 c C 0.730 174.831 174.090 0.019 0.000 1.373 141 c CA -0.056 56.294 56.329 0.034 0.000 1.756 141 c CB -0.207 42.318 42.510 0.025 0.000 2.589 141 c HN 0.420 nan 8.230 nan 0.000 0.602 142 K N 2.778 123.188 120.400 0.017 0.000 2.358 142 K HA 0.125 4.445 4.320 0.001 0.000 0.197 142 K C 0.958 177.558 176.600 0.000 0.000 1.025 142 K CA 0.139 56.431 56.287 0.009 0.000 1.104 142 K CB 0.229 32.737 32.500 0.013 0.000 0.855 142 K HN 0.891 nan 8.250 nan 0.000 0.531 143 T N -2.814 111.737 114.554 -0.005 0.000 2.868 143 T HA 0.227 4.577 4.350 0.001 0.000 0.292 143 T C 1.483 176.176 174.700 -0.011 0.000 1.028 143 T CA -0.377 61.716 62.100 -0.012 0.000 1.059 143 T CB 1.654 70.508 68.868 -0.023 0.000 0.991 143 T HN 0.142 nan 8.240 nan 0.000 0.531 144 G N 0.313 109.106 108.800 -0.012 0.000 2.421 144 G HA2 -0.119 3.842 3.960 0.001 0.000 0.217 144 G HA3 -0.119 3.842 3.960 0.001 0.000 0.217 144 G C 1.675 176.567 174.900 -0.013 0.000 1.143 144 G CA 0.671 45.765 45.100 -0.011 0.000 0.784 144 G HN 0.933 nan 8.290 nan 0.000 0.541 145 S N -0.980 114.710 115.700 -0.017 0.000 2.501 145 S HA 0.358 4.828 4.470 0.001 0.000 0.220 145 S C 1.972 176.558 174.600 -0.024 0.000 0.997 145 S CA 1.049 59.236 58.200 -0.021 0.000 0.919 145 S CB 0.073 63.259 63.200 -0.024 0.000 0.778 145 S HN 1.469 nan 8.310 nan 0.000 0.523 146 G N 0.803 109.590 108.800 -0.022 0.000 2.199 146 G HA2 -0.183 3.778 3.960 0.001 0.000 0.254 146 G HA3 -0.183 3.778 3.960 0.001 0.000 0.254 146 G C -0.344 174.537 174.900 -0.033 0.000 0.982 146 G CA 0.314 45.401 45.100 -0.021 0.000 0.632 146 G HN 0.575 nan 8.290 nan 0.000 0.529 147 D N -0.273 120.101 120.400 -0.043 0.000 2.392 147 D HA 0.569 5.209 4.640 0.001 0.000 0.246 147 D C 0.866 177.122 176.300 -0.074 0.000 1.013 147 D CA -0.702 53.260 54.000 -0.063 0.000 0.993 147 D CB 0.945 41.705 40.800 -0.067 0.000 1.219 147 D HN 0.200 nan 8.370 nan 0.000 0.538 148 I N 1.185 121.691 120.570 -0.108 0.000 2.598 148 I HA -0.029 4.142 4.170 0.001 0.000 0.284 148 I C 1.299 177.353 176.117 -0.105 0.000 1.140 148 I CA 0.656 61.865 61.300 -0.151 0.000 1.420 148 I CB 0.437 38.283 38.000 -0.256 0.000 1.387 148 I HN 0.290 nan 8.210 nan 0.000 0.553 149 E N 4.207 124.355 120.200 -0.088 0.000 2.453 149 E HA 0.130 4.480 4.350 0.001 0.000 0.211 149 E C 0.165 176.763 176.600 -0.004 0.000 0.897 149 E CA 0.021 56.401 56.400 -0.033 0.000 1.063 149 E CB 0.668 30.353 29.700 -0.026 0.000 1.080 149 E HN 0.640 nan 8.360 nan 0.000 0.512 150 N N -0.357 118.318 118.700 -0.042 0.000 2.549 150 N HA 0.091 4.831 4.740 0.001 0.000 0.290 150 N C -0.699 174.794 175.510 -0.029 0.000 1.122 150 N CA -0.184 52.875 53.050 0.015 0.000 0.885 150 N CB 0.709 39.201 38.487 0.009 0.000 1.455 150 N HN -0.118 nan 8.380 nan 0.000 0.521 151 Y N 2.052 122.341 120.300 -0.018 0.000 2.680 151 Y HA 0.032 4.582 4.550 0.000 0.000 0.303 151 Y C 1.524 177.406 175.900 -0.030 0.000 1.166 151 Y CA 0.849 58.933 58.100 -0.026 0.000 1.344 151 Y CB -0.116 38.325 38.460 -0.032 0.000 1.002 151 Y HN 0.639 nan 8.280 nan 0.000 0.537 152 N N -0.535 118.217 118.700 0.087 0.000 2.467 152 N HA -0.090 4.650 4.740 0.001 0.000 0.184 152 N C -0.135 175.384 175.510 0.015 0.000 1.106 152 N CA 0.128 53.206 53.050 0.047 0.000 0.892 152 N CB 0.228 38.738 38.487 0.039 0.000 0.969 152 N HN 0.099 nan 8.380 nan 0.000 0.454 153 D N 0.361 120.755 120.400 -0.010 0.000 2.472 153 D HA 0.253 4.893 4.640 0.001 0.000 0.234 153 D C 0.670 176.939 176.300 -0.052 0.000 1.088 153 D CA -0.541 53.447 54.000 -0.020 0.000 0.882 153 D CB 1.003 41.790 40.800 -0.021 0.000 1.037 153 D HN 0.070 nan 8.370 nan 0.000 0.520 154 A N 2.978 125.775 122.820 -0.040 0.000 2.032 154 A HA -0.179 4.141 4.320 0.001 0.000 0.221 154 A C 1.955 179.449 177.584 -0.150 0.000 1.165 154 A CA 1.847 53.825 52.037 -0.098 0.000 0.645 154 A CB -0.411 18.557 19.000 -0.053 0.000 0.807 154 A HN 0.582 nan 8.150 nan 0.000 0.453 155 T N 0.419 114.976 114.554 0.004 0.000 2.770 155 T HA -0.159 4.191 4.350 0.001 0.000 0.263 155 T C 2.100 176.818 174.700 0.031 0.000 1.039 155 T CA 1.615 63.789 62.100 0.124 0.000 1.142 155 T CB -0.317 68.672 68.868 0.203 0.000 0.868 155 T HN 0.891 nan 8.240 nan 0.000 0.435 156 Q N 0.972 120.760 119.800 -0.021 0.000 2.224 156 Q HA 0.005 4.346 4.340 0.001 0.000 0.203 156 Q C 2.115 178.045 176.000 -0.116 0.000 0.970 156 Q CA 0.947 56.720 55.803 -0.049 0.000 0.865 156 Q CB -0.701 28.000 28.738 -0.061 0.000 0.922 156 Q HN 0.294 nan 8.270 nan 0.000 0.445 157 V N 0.934 120.734 119.914 -0.190 0.000 2.490 157 V HA -0.221 3.900 4.120 0.001 0.000 0.250 157 V C 2.048 178.068 176.094 -0.123 0.000 1.061 157 V CA 2.043 64.204 62.300 -0.230 0.000 1.064 157 V CB -0.407 31.226 31.823 -0.316 0.000 0.670 157 V HN 0.283 nan 8.190 nan 0.000 0.461 158 R N -0.256 120.096 120.500 -0.247 0.000 2.128 158 R HA 0.063 4.404 4.340 0.001 0.000 0.211 158 R C 1.724 178.001 176.300 -0.038 0.000 1.067 158 R CA 0.840 56.764 56.100 -0.294 0.000 1.010 158 R CB -0.321 29.384 30.300 -0.992 0.000 0.922 158 R HN 0.435 nan 8.270 nan 0.000 0.457 159 D N -1.017 119.414 120.400 0.052 0.000 2.354 159 D HA 0.073 4.713 4.640 0.001 0.000 0.209 159 D C 0.095 176.434 176.300 0.065 0.000 1.015 159 D CA 0.356 54.433 54.000 0.128 0.000 0.867 159 D CB 0.206 41.116 40.800 0.183 0.000 0.933 159 D HN 0.091 nan 8.370 nan 0.000 0.520 160 c N 0.602 119.210 118.600 0.013 0.000 2.423 160 c HA 0.486 5.057 4.570 0.001 0.000 0.378 160 c C 0.633 174.699 174.090 -0.040 0.000 1.244 160 c CA -1.015 55.306 56.329 -0.013 0.000 1.978 160 c CB 1.346 43.831 42.510 -0.041 0.000 2.252 160 c HN 0.072 nan 8.230 nan 0.000 0.526 161 R N 1.136 121.603 120.500 -0.055 0.000 2.316 161 R HA 0.324 4.665 4.340 0.001 0.000 0.314 161 R C -0.621 175.581 176.300 -0.164 0.000 1.069 161 R CA -0.428 55.617 56.100 -0.092 0.000 0.959 161 R CB 0.182 30.440 30.300 -0.070 0.000 0.987 161 R HN 0.485 nan 8.270 nan 0.000 0.446 162 L N 4.827 125.894 121.223 -0.260 0.000 2.456 162 L HA -0.008 4.332 4.340 0.001 0.000 0.277 162 L C 0.473 177.184 176.870 -0.265 0.000 1.124 162 L CA 0.830 55.461 54.840 -0.349 0.000 0.880 162 L CB 0.185 41.888 42.059 -0.593 0.000 1.192 162 L HN 0.948 nan 8.230 nan 0.000 0.463 163 T N 1.532 115.975 114.554 -0.184 0.000 3.852 163 T HA -0.192 4.158 4.350 0.001 0.000 0.361 163 T C 1.125 175.736 174.700 -0.148 0.000 0.759 163 T CA 1.185 63.192 62.100 -0.155 0.000 1.899 163 T CB -2.398 66.366 68.868 -0.173 0.000 1.822 163 T HN 2.353 nan 8.240 nan 0.000 0.778 164 G N -1.149 107.574 108.800 -0.128 0.000 2.195 164 G HA2 -0.170 3.790 3.960 0.001 0.000 0.246 164 G HA3 -0.170 3.790 3.960 0.001 0.000 0.246 164 G C -0.014 174.830 174.900 -0.094 0.000 0.984 164 G CA -0.129 44.913 45.100 -0.098 0.000 0.633 164 G HN 0.997 nan 8.290 nan 0.000 0.525 165 L N 1.835 122.971 121.223 -0.145 0.000 2.500 165 L HA 0.376 4.717 4.340 0.001 0.000 0.272 165 L C 1.347 178.192 176.870 -0.042 0.000 1.149 165 L CA -0.093 54.670 54.840 -0.128 0.000 0.897 165 L CB 0.308 42.136 42.059 -0.385 0.000 1.178 165 L HN 0.238 nan 8.230 nan 0.000 0.473 166 L N 3.594 124.822 121.223 0.009 0.000 2.628 166 L HA -0.092 4.248 4.340 0.001 0.000 0.274 166 L C 0.423 177.427 176.870 0.222 0.000 1.209 166 L CA 0.300 55.147 54.840 0.012 0.000 0.930 166 L CB -0.172 41.753 42.059 -0.222 0.000 1.183 166 L HN 0.557 nan 8.230 nan 0.000 0.492 167 D N 3.879 124.422 120.400 0.239 0.000 2.313 167 D HA 0.339 4.979 4.640 0.001 0.000 0.239 167 D C -0.229 176.224 176.300 0.254 0.000 1.142 167 D CA -0.311 53.826 54.000 0.228 0.000 0.847 167 D CB 0.789 41.665 40.800 0.127 0.000 1.082 167 D HN 0.247 nan 8.370 nan 0.000 0.480 168 L N 2.361 123.623 121.223 0.065 0.000 2.456 168 L HA 0.272 4.613 4.340 0.001 0.000 0.272 168 L C 0.698 177.503 176.870 -0.108 0.000 1.189 168 L CA -0.655 54.041 54.840 -0.239 0.000 0.846 168 L CB 0.763 42.619 42.059 -0.337 0.000 1.111 168 L HN 0.474 nan 8.230 nan 0.000 0.475 169 A N 5.022 127.745 122.820 -0.162 0.000 2.915 169 A HA 0.304 4.624 4.320 0.001 0.000 0.292 169 A C 1.006 178.577 177.584 -0.021 0.000 1.632 169 A CA -0.365 51.650 52.037 -0.036 0.000 1.337 169 A CB -0.466 18.520 19.000 -0.025 0.000 1.111 169 A HN 0.828 nan 8.150 nan 0.000 0.569 170 L N 1.167 122.403 121.223 0.022 0.000 2.633 170 L HA -0.108 4.232 4.340 0.001 0.000 0.235 170 L C 2.436 179.333 176.870 0.045 0.000 1.163 170 L CA 1.095 55.956 54.840 0.035 0.000 0.859 170 L CB -0.269 41.834 42.059 0.072 0.000 0.973 170 L HN 0.907 nan 8.230 nan 0.000 0.451 171 E N 0.817 121.041 120.200 0.040 0.000 2.299 171 E HA -0.071 4.279 4.350 0.001 0.000 0.193 171 E C 0.327 176.940 176.600 0.021 0.000 0.998 171 E CA 0.088 56.498 56.400 0.015 0.000 0.851 171 E CB 0.145 29.836 29.700 -0.015 0.000 0.795 171 E HN 0.386 nan 8.360 nan 0.000 0.492 172 K N 1.699 122.123 120.400 0.040 0.000 2.339 172 K HA 0.019 4.340 4.320 0.001 0.000 0.286 172 K C 0.062 176.713 176.600 0.085 0.000 1.050 172 K CA 0.099 56.430 56.287 0.075 0.000 0.956 172 K CB 1.191 33.761 32.500 0.117 0.000 0.990 172 K HN -0.037 nan 8.250 nan 0.000 0.475 173 D N 2.071 122.524 120.400 0.089 0.000 2.149 173 D HA -0.253 4.387 4.640 0.001 0.000 0.198 173 D C 1.471 177.829 176.300 0.096 0.000 0.990 173 D CA 1.454 55.500 54.000 0.076 0.000 0.839 173 D CB 0.031 40.875 40.800 0.074 0.000 0.948 173 D HN 0.628 nan 8.370 nan 0.000 0.460 174 Y N 0.298 120.630 120.300 0.053 0.000 2.128 174 Y HA -0.215 4.336 4.550 0.001 0.000 0.284 174 Y C 2.101 178.058 175.900 0.095 0.000 1.154 174 Y CA 1.493 59.636 58.100 0.071 0.000 1.149 174 Y CB -0.502 38.011 38.460 0.089 0.000 0.976 174 Y HN -0.067 nan 8.280 nan 0.000 0.505 175 V N 0.665 120.617 119.914 0.062 0.000 2.358 175 V HA -0.278 3.842 4.120 0.001 0.000 0.246 175 V C 2.369 178.440 176.094 -0.039 0.000 1.047 175 V CA 2.188 64.502 62.300 0.024 0.000 1.035 175 V CB -0.586 31.249 31.823 0.021 0.000 0.658 175 V HN 0.333 nan 8.190 nan 0.000 0.452 176 R N 0.003 120.484 120.500 -0.030 0.000 2.105 176 R HA -0.137 4.203 4.340 0.001 0.000 0.239 176 R C 2.512 178.761 176.300 -0.084 0.000 1.135 176 R CA 1.722 57.795 56.100 -0.045 0.000 0.967 176 R CB -0.426 29.863 30.300 -0.020 0.000 0.861 176 R HN 0.451 nan 8.270 nan 0.000 0.442 177 S N 0.423 116.057 115.700 -0.110 0.000 2.387 177 S HA -0.024 4.446 4.470 0.001 0.000 0.226 177 S C 1.608 176.100 174.600 -0.180 0.000 1.026 177 S CA 0.838 58.960 58.200 -0.131 0.000 0.972 177 S CB 0.096 63.227 63.200 -0.116 0.000 0.814 177 S HN 0.181 nan 8.310 nan 0.000 0.477 178 K N 1.419 121.666 120.400 -0.255 0.000 2.148 178 K HA 0.148 4.468 4.320 0.001 0.000 0.204 178 K C 1.855 178.337 176.600 -0.196 0.000 1.050 178 K CA 0.754 56.906 56.287 -0.226 0.000 0.942 178 K CB -0.517 31.819 32.500 -0.273 0.000 0.724 178 K HN 0.403 nan 8.250 nan 0.000 0.446 179 I N 0.886 121.351 120.570 -0.176 0.000 2.286 179 I HA -0.204 3.966 4.170 0.001 0.000 0.245 179 I C 2.374 178.353 176.117 -0.231 0.000 1.104 179 I CA 0.953 62.103 61.300 -0.249 0.000 1.397 179 I CB -0.328 37.580 38.000 -0.153 0.000 1.072 179 I HN 0.014 nan 8.210 nan 0.000 0.417 180 A N 0.307 123.013 122.820 -0.190 0.000 1.930 180 A HA -0.254 4.066 4.320 0.001 0.000 0.217 180 A C 2.286 179.753 177.584 -0.195 0.000 1.175 180 A CA 1.798 53.715 52.037 -0.200 0.000 0.627 180 A CB -0.603 18.315 19.000 -0.137 0.000 0.815 180 A HN 0.495 nan 8.150 nan 0.000 0.443 181 E N -1.283 118.831 120.200 -0.144 0.000 2.038 181 E HA -0.274 4.076 4.350 0.001 0.000 0.195 181 E C 1.888 178.442 176.600 -0.078 0.000 1.000 181 E CA 1.740 58.083 56.400 -0.095 0.000 0.803 181 E CB -0.410 29.244 29.700 -0.077 0.000 0.750 181 E HN 0.686 nan 8.360 nan 0.000 0.448 182 Y N 0.969 121.107 120.300 -0.270 0.000 2.097 182 Y HA -0.220 4.331 4.550 0.001 0.000 0.282 182 Y C 2.130 177.919 175.900 -0.185 0.000 1.152 182 Y CA 2.166 60.101 58.100 -0.275 0.000 1.136 182 Y CB -0.381 37.691 38.460 -0.647 0.000 0.975 182 Y HN 0.058 nan 8.280 nan 0.000 0.498 183 M N 0.030 119.323 119.600 -0.511 0.000 2.159 183 M HA -0.210 4.271 4.480 0.001 0.000 0.263 183 M C 1.683 177.798 176.300 -0.308 0.000 1.063 183 M CA 1.545 56.484 55.300 -0.601 0.000 1.110 183 M CB -0.406 31.731 32.600 -0.773 0.000 1.374 183 M HN 0.249 nan 8.290 nan 0.000 0.411 184 N N -0.365 118.145 118.700 -0.317 0.000 2.270 184 N HA -0.154 4.586 4.740 0.001 0.000 0.181 184 N C 1.563 176.974 175.510 -0.166 0.000 1.016 184 N CA 1.166 53.968 53.050 -0.414 0.000 0.870 184 N CB -0.481 37.547 38.487 -0.766 0.000 0.979 184 N HN 0.434 nan 8.380 nan 0.000 0.431 185 H N 0.857 119.828 119.070 -0.166 0.000 2.353 185 H HA 0.093 4.649 4.556 0.001 0.000 0.300 185 H C 1.979 177.281 175.328 -0.043 0.000 1.090 185 H CA 1.331 57.340 56.048 -0.064 0.000 1.327 185 H CB -0.234 29.502 29.762 -0.044 0.000 1.383 185 H HN 0.086 nan 8.280 nan 0.000 0.508 186 L N -0.457 120.687 121.223 -0.133 0.000 2.056 186 L HA -0.117 4.223 4.340 0.001 0.000 0.207 186 L C 2.513 179.357 176.870 -0.044 0.000 1.078 186 L CA 1.171 55.947 54.840 -0.108 0.000 0.749 186 L CB -0.375 41.637 42.059 -0.079 0.000 0.901 186 L HN 0.305 nan 8.230 nan 0.000 0.433 187 I N 0.079 120.655 120.570 0.010 0.000 2.163 187 I HA -0.305 3.865 4.170 0.001 0.000 0.243 187 I C 2.020 178.163 176.117 0.045 0.000 1.085 187 I CA 1.302 62.610 61.300 0.014 0.000 1.347 187 I CB -0.407 37.615 38.000 0.037 0.000 1.044 187 I HN 0.277 nan 8.210 nan 0.000 0.408 188 D N 0.769 121.197 120.400 0.047 0.000 2.218 188 D HA -0.110 4.531 4.640 0.001 0.000 0.204 188 D C 2.160 178.513 176.300 0.088 0.000 0.976 188 D CA 1.152 55.210 54.000 0.098 0.000 0.853 188 D CB -0.108 40.758 40.800 0.111 0.000 0.939 188 D HN 0.382 nan 8.370 nan 0.000 0.481 189 I N -0.572 120.006 120.570 0.013 0.000 2.546 189 I HA -0.042 4.128 4.170 0.001 0.000 0.255 189 I C 1.668 177.862 176.117 0.128 0.000 1.163 189 I CA 1.108 62.428 61.300 0.034 0.000 1.457 189 I CB 0.181 38.164 38.000 -0.030 0.000 1.092 189 I HN 0.155 nan 8.210 nan 0.000 0.434 190 G N 0.551 109.414 108.800 0.106 0.000 2.370 190 G HA2 -0.149 3.812 3.960 0.001 0.000 0.174 190 G HA3 -0.149 3.812 3.960 0.001 0.000 0.174 190 G C 0.307 175.169 174.900 -0.064 0.000 1.002 190 G CA -0.068 45.097 45.100 0.108 0.000 0.730 190 G HN 0.174 nan 8.290 nan 0.000 0.497 191 V N -0.470 119.350 119.914 -0.157 0.000 2.740 191 V HA 0.694 4.814 4.120 0.001 0.000 0.303 191 V C 1.307 177.167 176.094 -0.390 0.000 1.054 191 V CA 0.924 63.026 62.300 -0.330 0.000 1.106 191 V CB 1.351 32.916 31.823 -0.430 0.000 0.957 191 V HN 1.279 nan 8.190 nan 0.000 0.486 192 A N 3.035 125.557 122.820 -0.496 0.000 2.195 192 A HA 0.734 5.054 4.320 0.001 0.000 0.210 192 A C 1.199 178.640 177.584 -0.239 0.000 1.165 192 A CA 0.726 52.479 52.037 -0.474 0.000 0.806 192 A CB -0.471 18.278 19.000 -0.418 0.000 0.847 192 A HN 2.022 nan 8.150 nan 0.000 0.482 193 G N -2.064 106.542 108.800 -0.324 0.000 2.340 193 G HA2 0.485 4.445 3.960 0.001 0.000 0.299 193 G HA3 0.485 4.445 3.960 0.001 0.000 0.299 193 G C -1.568 173.042 174.900 -0.483 0.000 1.291 193 G CA -0.708 44.345 45.100 -0.078 0.000 0.841 193 G HN 0.191 nan 8.290 nan 0.000 0.500 194 F N -0.552 119.421 119.950 0.038 0.000 2.613 194 F HA 0.704 5.231 4.527 0.001 0.000 0.310 194 F C 0.210 175.704 175.800 -0.509 0.000 1.085 194 F CA -0.886 57.035 58.000 -0.132 0.000 0.945 194 F CB 2.493 41.401 39.000 -0.154 0.000 1.298 194 F HN 0.487 nan 8.300 nan 0.000 0.455 195 R N 2.916 123.169 120.500 -0.411 0.000 2.229 195 R HA 0.559 4.900 4.340 0.001 0.000 0.332 195 R C -1.597 174.527 176.300 -0.294 0.000 0.989 195 R CA -0.416 55.161 56.100 -0.872 0.000 0.842 195 R CB 0.535 30.468 30.300 -0.612 0.000 1.119 195 R HN 0.800 nan 8.270 nan 0.000 0.456 196 L N 4.634 125.705 121.223 -0.254 0.000 2.295 196 L HA 0.168 4.508 4.340 0.001 0.000 0.288 196 L C 0.141 176.998 176.870 -0.023 0.000 1.079 196 L CA -0.466 54.318 54.840 -0.093 0.000 0.830 196 L CB 0.878 42.888 42.059 -0.082 0.000 1.200 196 L HN 0.658 nan 8.230 nan 0.000 0.438 197 D N 3.441 123.877 120.400 0.059 0.000 2.382 197 D HA 0.312 4.953 4.640 0.001 0.000 0.245 197 D C 0.843 177.236 176.300 0.155 0.000 1.120 197 D CA 0.505 54.595 54.000 0.150 0.000 0.890 197 D CB 1.026 41.986 40.800 0.268 0.000 1.201 197 D HN 0.715 nan 8.370 nan 0.000 0.433 198 A N 2.670 125.603 122.820 0.187 0.000 2.745 198 A HA -0.245 4.076 4.320 0.001 0.000 0.296 198 A C 1.807 179.480 177.584 0.148 0.000 1.500 198 A CA 1.201 53.396 52.037 0.262 0.000 0.766 198 A CB -2.117 17.113 19.000 0.383 0.000 1.030 198 A HN 0.448 nan 8.150 nan 0.000 0.489 199 S N -0.542 115.156 115.700 -0.003 0.000 2.399 199 S HA -0.166 4.305 4.470 0.001 0.000 0.231 199 S C 1.837 176.295 174.600 -0.236 0.000 1.022 199 S CA 1.498 59.630 58.200 -0.114 0.000 0.983 199 S CB -0.153 62.905 63.200 -0.237 0.000 0.803 199 S HN 0.883 nan 8.310 nan 0.000 0.480 200 K N 0.849 121.042 120.400 -0.345 0.000 2.209 200 K HA -0.148 4.173 4.320 0.001 0.000 0.204 200 K C 0.921 177.271 176.600 -0.416 0.000 1.048 200 K CA 1.186 57.232 56.287 -0.401 0.000 0.940 200 K CB -0.148 32.074 32.500 -0.464 0.000 0.729 200 K HN 0.463 nan 8.250 nan 0.000 0.451 201 H N -0.241 118.797 119.070 -0.054 0.000 2.536 201 H HA 0.194 4.750 4.556 0.001 0.000 0.276 201 H C -0.037 175.237 175.328 -0.090 0.000 1.019 201 H CA 0.353 56.351 56.048 -0.083 0.000 1.159 201 H CB -0.021 29.725 29.762 -0.027 0.000 1.373 201 H HN 0.187 nan 8.280 nan 0.000 0.584 202 M N -0.307 119.290 119.600 -0.006 0.000 2.457 202 M HA 0.191 4.672 4.480 0.001 0.000 0.300 202 M C -1.091 175.221 176.300 0.020 0.000 1.141 202 M CA -0.848 54.474 55.300 0.036 0.000 0.901 202 M CB 2.430 35.107 32.600 0.127 0.000 1.687 202 M HN -0.020 nan 8.290 nan 0.000 0.449 203 W N 2.373 123.723 121.300 0.084 0.000 2.190 203 W HA 0.224 4.884 4.660 0.001 0.000 0.330 203 W C -1.786 174.722 176.519 -0.019 0.000 1.299 203 W CA -0.816 56.537 57.345 0.013 0.000 1.215 203 W CB -0.242 29.209 29.460 -0.014 0.000 1.147 203 W HN 0.482 nan 8.180 nan 0.000 0.563 204 P HA -0.195 nan 4.420 nan 0.000 0.216 204 P C 1.729 179.048 177.300 0.032 0.000 1.153 204 P CA 2.509 65.532 63.100 -0.129 0.000 0.858 204 P CB 0.063 31.528 31.700 -0.391 0.000 0.789 205 G N -0.568 108.272 108.800 0.067 0.000 2.432 205 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 205 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 205 G C 1.237 176.173 174.900 0.060 0.000 1.135 205 G CA 0.788 45.915 45.100 0.045 0.000 0.767 205 G HN 0.184 nan 8.290 nan 0.000 0.550 206 D N 0.556 121.027 120.400 0.118 0.000 2.123 206 D HA -0.023 4.617 4.640 0.001 0.000 0.200 206 D C 2.579 178.924 176.300 0.074 0.000 0.976 206 D CA 0.292 54.352 54.000 0.101 0.000 0.831 206 D CB -0.109 40.791 40.800 0.166 0.000 0.974 206 D HN 0.341 nan 8.370 nan 0.000 0.469 207 I N 0.696 121.324 120.570 0.096 0.000 2.163 207 I HA -0.286 3.884 4.170 0.001 0.000 0.243 207 I C 2.317 178.453 176.117 0.032 0.000 1.085 207 I CA 1.002 62.343 61.300 0.068 0.000 1.347 207 I CB -0.106 37.967 38.000 0.123 0.000 1.044 207 I HN -0.084 nan 8.210 nan 0.000 0.408 208 K N 1.570 121.993 120.400 0.039 0.000 2.063 208 K HA -0.143 4.178 4.320 0.001 0.000 0.208 208 K C 2.027 178.629 176.600 0.004 0.000 1.048 208 K CA 1.747 58.045 56.287 0.019 0.000 0.928 208 K CB -0.428 32.087 32.500 0.024 0.000 0.713 208 K HN 0.298 nan 8.250 nan 0.000 0.442 209 A N 0.446 123.270 122.820 0.007 0.000 1.933 209 A HA -0.101 4.220 4.320 0.001 0.000 0.218 209 A C 2.232 179.807 177.584 -0.016 0.000 1.175 209 A CA 1.655 53.691 52.037 -0.001 0.000 0.628 209 A CB -0.591 18.410 19.000 0.003 0.000 0.814 209 A HN 0.349 nan 8.150 nan 0.000 0.444 210 I N -0.484 120.071 120.570 -0.025 0.000 2.233 210 I HA -0.209 3.961 4.170 0.001 0.000 0.243 210 I C 2.263 178.334 176.117 -0.076 0.000 1.093 210 I CA 0.953 62.218 61.300 -0.058 0.000 1.380 210 I CB -0.321 37.635 38.000 -0.074 0.000 1.067 210 I HN 0.270 nan 8.210 nan 0.000 0.413 211 L N 0.340 121.523 121.223 -0.066 0.000 2.131 211 L HA -0.230 4.110 4.340 0.001 0.000 0.210 211 L C 1.838 178.681 176.870 -0.045 0.000 1.092 211 L CA 1.069 55.866 54.840 -0.072 0.000 0.759 211 L CB -0.683 41.342 42.059 -0.057 0.000 0.903 211 L HN 0.281 nan 8.230 nan 0.000 0.435 212 D N 0.358 120.742 120.400 -0.027 0.000 2.310 212 D HA -0.122 4.519 4.640 0.001 0.000 0.212 212 D C 1.751 178.050 176.300 -0.002 0.000 0.965 212 D CA 1.028 55.022 54.000 -0.010 0.000 0.879 212 D CB 0.091 40.889 40.800 -0.003 0.000 0.921 212 D HN 0.373 nan 8.370 nan 0.000 0.510 213 K N -0.299 120.093 120.400 -0.014 0.000 2.374 213 K HA 0.095 4.415 4.320 0.001 0.000 0.196 213 K C 0.121 176.733 176.600 0.020 0.000 1.023 213 K CA -0.364 55.925 56.287 0.003 0.000 1.103 213 K CB 0.732 33.220 32.500 -0.020 0.000 0.848 213 K HN -0.055 nan 8.250 nan 0.000 0.528 214 L N 1.692 122.906 121.223 -0.015 0.000 2.397 214 L HA 0.111 4.452 4.340 0.001 0.000 0.271 214 L C 0.516 177.456 176.870 0.115 0.000 1.148 214 L CA 0.134 54.956 54.840 -0.030 0.000 0.825 214 L CB 0.257 42.270 42.059 -0.077 0.000 1.117 214 L HN 0.166 nan 8.230 nan 0.000 0.456 215 H N 1.155 120.218 119.070 -0.011 0.000 2.581 215 H HA 0.215 4.771 4.556 0.001 0.000 0.369 215 H C -0.211 175.117 175.328 -0.001 0.000 1.351 215 H CA -0.762 55.285 56.048 -0.001 0.000 1.434 215 H CB 0.631 30.399 29.762 0.010 0.000 1.558 215 H HN 0.585 nan 8.280 nan 0.000 0.608 216 N N 0.054 118.837 118.700 0.139 0.000 2.493 216 N HA 0.163 4.903 4.740 0.001 0.000 0.275 216 N C -0.322 175.220 175.510 0.054 0.000 1.186 216 N CA -0.658 52.427 53.050 0.059 0.000 0.978 216 N CB 0.995 39.507 38.487 0.042 0.000 1.184 216 N HN 0.213 nan 8.380 nan 0.000 0.487 217 L N 0.990 122.192 121.223 -0.034 0.000 2.489 217 L HA -0.051 4.289 4.340 0.001 0.000 0.285 217 L C 0.823 177.774 176.870 0.136 0.000 1.259 217 L CA 0.116 54.899 54.840 -0.096 0.000 0.828 217 L CB -0.049 41.658 42.059 -0.586 0.000 1.094 217 L HN 0.603 nan 8.230 nan 0.000 0.524 218 N N -0.207 118.669 118.700 0.292 0.000 2.434 218 N HA -0.066 4.674 4.740 0.001 0.000 0.268 218 N C 1.024 176.744 175.510 0.350 0.000 1.256 218 N CA 0.215 53.469 53.050 0.340 0.000 0.914 218 N CB 0.631 39.389 38.487 0.451 0.000 1.088 218 N HN 0.589 nan 8.380 nan 0.000 0.478 219 S N 2.439 118.238 115.700 0.163 0.000 2.537 219 S HA -0.084 4.387 4.470 0.001 0.000 0.240 219 S C 1.157 175.753 174.600 -0.007 0.000 0.981 219 S CA 0.394 58.653 58.200 0.097 0.000 0.948 219 S CB -0.097 63.128 63.200 0.041 0.000 0.759 219 S HN 0.617 nan 8.310 nan 0.000 0.531 220 N N -0.094 118.537 118.700 -0.115 0.000 2.416 220 N HA 0.060 4.800 4.740 0.001 0.000 0.177 220 N C 0.605 175.819 175.510 -0.494 0.000 1.036 220 N CA 0.799 53.614 53.050 -0.391 0.000 0.901 220 N CB -0.014 38.056 38.487 -0.695 0.000 0.976 220 N HN 0.610 nan 8.380 nan 0.000 0.444 221 W N -0.468 120.737 121.300 -0.158 0.000 2.942 221 W HA 0.280 4.941 4.660 0.001 0.000 0.260 221 W C -0.122 176.042 176.519 -0.591 0.000 1.101 221 W CA -0.133 56.937 57.345 -0.458 0.000 1.436 221 W CB 0.102 29.097 29.460 -0.776 0.000 0.883 221 W HN -0.190 nan 8.180 nan 0.000 0.646 222 F N 1.569 121.630 119.950 0.186 0.000 2.556 222 F HA 0.513 5.040 4.527 0.001 0.000 0.327 222 F C -1.709 174.124 175.800 0.056 0.000 1.059 222 F CA -2.787 55.275 58.000 0.102 0.000 0.953 222 F CB -0.263 38.788 39.000 0.085 0.000 1.227 222 F HN -0.433 nan 8.300 nan 0.000 0.478 223 P HA 0.195 nan 4.420 nan 0.000 0.272 223 P C -0.887 176.483 177.300 0.116 0.000 1.230 223 P CA -0.321 62.856 63.100 0.128 0.000 0.788 223 P CB 0.702 32.461 31.700 0.098 0.000 0.949 224 A N 1.221 124.085 122.820 0.073 0.000 2.511 224 A HA 0.413 4.734 4.320 0.001 0.000 0.242 224 A C 1.436 179.049 177.584 0.048 0.000 1.069 224 A CA 0.710 52.781 52.037 0.056 0.000 0.763 224 A CB -1.388 17.633 19.000 0.034 0.000 1.001 224 A HN 0.935 nan 8.150 nan 0.000 0.498 225 G N 1.550 110.374 108.800 0.040 0.000 2.157 225 G HA2 -0.192 3.768 3.960 0.001 0.000 0.248 225 G HA3 -0.192 3.768 3.960 0.001 0.000 0.248 225 G C 0.376 175.291 174.900 0.026 0.000 0.979 225 G CA 0.297 45.415 45.100 0.030 0.000 0.650 225 G HN 1.186 nan 8.290 nan 0.000 0.529 226 S N 1.494 117.211 115.700 0.029 0.000 2.505 226 S HA 0.462 4.933 4.470 0.001 0.000 0.276 226 S C 0.489 175.065 174.600 -0.039 0.000 1.274 226 S CA -0.134 58.065 58.200 -0.002 0.000 1.053 226 S CB 1.160 64.358 63.200 -0.003 0.000 0.919 226 S HN 0.371 nan 8.310 nan 0.000 0.490 227 K N 3.934 124.314 120.400 -0.034 0.000 2.110 227 K HA 0.390 4.710 4.320 0.001 0.000 0.263 227 K C -2.552 174.025 176.600 -0.037 0.000 0.975 227 K CA -2.302 53.967 56.287 -0.030 0.000 0.895 227 K CB 0.894 33.381 32.500 -0.022 0.000 1.060 227 K HN 0.351 nan 8.250 nan 0.000 0.448 228 P HA -0.030 nan 4.420 nan 0.000 0.268 228 P C -0.448 176.926 177.300 0.123 0.000 1.205 228 P CA -0.236 62.882 63.100 0.031 0.000 0.771 228 P CB 0.305 32.082 31.700 0.129 0.000 0.858 229 F N 4.790 124.747 119.950 0.011 0.000 2.504 229 F HA 0.247 4.774 4.527 0.001 0.000 0.369 229 F C -0.316 175.557 175.800 0.121 0.000 1.082 229 F CA -0.577 57.442 58.000 0.031 0.000 1.216 229 F CB -0.043 38.983 39.000 0.044 0.000 1.108 229 F HN 0.112 nan 8.300 nan 0.000 0.554 230 I N 8.650 128.997 120.570 -0.371 0.000 2.418 230 I HA 0.207 4.377 4.170 0.001 0.000 0.287 230 I C -1.204 174.654 176.117 -0.431 0.000 1.008 230 I CA -0.796 60.301 61.300 -0.338 0.000 1.104 230 I CB 1.161 39.069 38.000 -0.153 0.000 1.264 230 I HN 0.562 nan 8.210 nan 0.000 0.438 231 Y N 3.375 123.350 120.300 -0.542 0.000 2.346 231 Y HA 0.701 5.251 4.550 0.001 0.000 0.332 231 Y C -0.598 175.219 175.900 -0.140 0.000 0.985 231 Y CA -1.265 56.622 58.100 -0.355 0.000 1.112 231 Y CB 0.821 39.034 38.460 -0.411 0.000 1.170 231 Y HN 0.494 nan 8.280 nan 0.000 0.447 232 Q N 2.585 122.393 119.800 0.013 0.000 2.256 232 Q HA 0.213 4.554 4.340 0.001 0.000 0.254 232 Q C -0.587 175.427 176.000 0.024 0.000 0.916 232 Q CA -0.742 55.041 55.803 -0.033 0.000 0.932 232 Q CB 1.975 30.684 28.738 -0.048 0.000 1.207 232 Q HN 0.717 nan 8.270 nan 0.000 0.426 233 E N 2.947 123.159 120.200 0.020 0.000 2.070 233 E HA 0.196 4.547 4.350 0.001 0.000 0.282 233 E C -1.384 175.227 176.600 0.018 0.000 1.104 233 E CA -0.213 56.266 56.400 0.132 0.000 0.876 233 E CB 0.518 30.313 29.700 0.158 0.000 1.055 233 E HN 0.321 nan 8.360 nan 0.000 0.401 234 V N 7.214 127.162 119.914 0.057 0.000 2.482 234 V HA 0.293 4.413 4.120 0.001 0.000 0.295 234 V C 0.022 176.119 176.094 0.005 0.000 1.026 234 V CA -0.654 61.585 62.300 -0.100 0.000 0.856 234 V CB 1.582 33.256 31.823 -0.247 0.000 1.001 234 V HN 0.637 nan 8.190 nan 0.000 0.424 235 I N 4.276 124.735 120.570 -0.185 0.000 2.308 235 I HA 0.318 4.489 4.170 0.001 0.000 0.293 235 I C -0.449 175.586 176.117 -0.136 0.000 1.078 235 I CA 0.253 61.353 61.300 -0.333 0.000 1.292 235 I CB 0.748 38.381 38.000 -0.612 0.000 1.423 235 I HN 0.580 nan 8.210 nan 0.000 0.493 236 D N 7.564 127.958 120.400 -0.009 0.000 2.440 236 D HA 0.309 4.949 4.640 0.001 0.000 0.252 236 D C 0.067 176.393 176.300 0.043 0.000 1.180 236 D CA -0.344 53.664 54.000 0.014 0.000 0.894 236 D CB 1.111 41.941 40.800 0.049 0.000 1.111 236 D HN 0.385 nan 8.370 nan 0.000 0.544 237 L N 2.591 123.823 121.223 0.014 0.000 2.728 237 L HA 0.503 4.844 4.340 0.001 0.000 0.238 237 L C 1.159 178.051 176.870 0.037 0.000 1.143 237 L CA 0.046 54.910 54.840 0.039 0.000 0.937 237 L CB -0.137 41.932 42.059 0.018 0.000 1.225 237 L HN 0.625 nan 8.230 nan 0.000 0.507 238 G N -0.566 108.250 108.800 0.026 0.000 2.699 238 G HA2 0.155 4.115 3.960 0.001 0.000 0.686 238 G HA3 0.155 4.115 3.960 0.001 0.000 0.686 238 G C 0.523 175.427 174.900 0.007 0.000 1.301 238 G CA -0.433 44.680 45.100 0.022 0.000 0.816 238 G HN 0.493 nan 8.290 nan 0.000 0.595 239 G N -0.864 107.939 108.800 0.006 0.000 2.217 239 G HA2 -0.151 3.809 3.960 0.001 0.000 0.246 239 G HA3 -0.151 3.809 3.960 0.001 0.000 0.246 239 G C 0.261 175.165 174.900 0.006 0.000 0.990 239 G CA 1.470 46.571 45.100 0.002 0.000 0.627 239 G HN 1.241 nan 8.290 nan 0.000 0.522 240 E N 0.482 120.688 120.200 0.009 0.000 2.235 240 E HA 0.465 4.816 4.350 0.001 0.000 0.265 240 E C -1.294 175.317 176.600 0.018 0.000 0.940 240 E CA -1.540 54.874 56.400 0.022 0.000 0.819 240 E CB 1.996 31.714 29.700 0.031 0.000 1.206 240 E HN 0.092 nan 8.360 nan 0.000 0.409 241 P HA -0.006 nan 4.420 nan 0.000 0.225 241 P C 0.210 177.514 177.300 0.006 0.000 1.156 241 P CA 0.884 63.991 63.100 0.011 0.000 0.787 241 P CB 0.460 32.166 31.700 0.011 0.000 0.802 242 I N 0.788 121.363 120.570 0.008 0.000 2.395 242 I HA 0.145 4.315 4.170 0.001 0.000 0.289 242 I C 0.563 176.699 176.117 0.031 0.000 1.023 242 I CA -0.404 60.905 61.300 0.015 0.000 1.350 242 I CB 0.785 38.789 38.000 0.007 0.000 1.409 242 I HN -0.212 nan 8.210 nan 0.000 0.507 243 K N 3.612 124.034 120.400 0.037 0.000 2.259 243 K HA 0.302 4.623 4.320 0.001 0.000 0.249 243 K C 0.839 177.481 176.600 0.070 0.000 0.942 243 K CA -0.584 55.717 56.287 0.024 0.000 0.816 243 K CB 1.867 34.349 32.500 -0.029 0.000 1.155 243 K HN 0.640 nan 8.250 nan 0.000 0.428 244 S N -0.139 115.597 115.700 0.060 0.000 2.447 244 S HA -0.189 4.281 4.470 0.001 0.000 0.233 244 S C 1.812 176.363 174.600 -0.081 0.000 1.006 244 S CA 1.426 59.694 58.200 0.113 0.000 0.957 244 S CB -0.431 62.864 63.200 0.159 0.000 0.773 244 S HN 0.666 nan 8.310 nan 0.000 0.507 245 S N 2.069 117.503 115.700 -0.443 0.000 2.442 245 S HA -0.114 4.357 4.470 0.001 0.000 0.236 245 S C 1.178 175.317 174.600 -0.768 0.000 1.007 245 S CA 0.960 58.362 58.200 -1.329 0.000 0.965 245 S CB -0.575 62.132 63.200 -0.822 0.000 0.773 245 S HN 0.464 nan 8.310 nan 0.000 0.504 246 D N 0.459 120.680 120.400 -0.298 0.000 2.350 246 D HA -0.020 4.620 4.640 0.001 0.000 0.216 246 D C 0.420 176.544 176.300 -0.294 0.000 0.968 246 D CA 0.878 54.725 54.000 -0.256 0.000 0.894 246 D CB -0.215 40.430 40.800 -0.260 0.000 0.909 246 D HN 0.617 nan 8.370 nan 0.000 0.520 247 Y N -1.011 119.248 120.300 -0.068 0.000 2.507 247 Y HA 0.124 4.674 4.550 0.001 0.000 0.254 247 Y C 1.431 177.501 175.900 0.283 0.000 1.171 247 Y CA -0.477 57.679 58.100 0.094 0.000 1.238 247 Y CB 0.048 38.568 38.460 0.101 0.000 1.148 247 Y HN -0.180 nan 8.280 nan 0.000 0.525 248 F N -0.146 119.929 119.950 0.208 0.000 2.269 248 F HA -0.073 4.455 4.527 0.001 0.000 0.301 248 F C 2.297 178.256 175.800 0.265 0.000 1.082 248 F CA 1.051 59.174 58.000 0.205 0.000 1.360 248 F CB -1.231 37.835 39.000 0.110 0.000 1.041 248 F HN 0.122 nan 8.300 nan 0.000 0.512 249 G N -0.681 108.342 108.800 0.371 0.000 2.679 249 G HA2 -0.183 3.777 3.960 0.001 0.000 0.212 249 G HA3 -0.183 3.777 3.960 0.001 0.000 0.212 249 G C 1.495 176.531 174.900 0.226 0.000 1.137 249 G CA 0.451 45.722 45.100 0.284 0.000 0.787 249 G HN 0.264 nan 8.290 nan 0.000 0.534 250 N N 0.047 118.881 118.700 0.223 0.000 2.414 250 N HA 0.244 4.984 4.740 0.001 0.000 0.177 250 N C 1.099 176.606 175.510 -0.005 0.000 1.062 250 N CA 1.001 54.112 53.050 0.102 0.000 0.890 250 N CB 1.275 39.845 38.487 0.139 0.000 1.070 250 N HN 0.418 nan 8.380 nan 0.000 0.454 251 G N -0.188 108.692 108.800 0.133 0.000 2.368 251 G HA2 0.133 4.094 3.960 0.001 0.000 0.269 251 G HA3 0.133 4.094 3.960 0.001 0.000 0.269 251 G C -1.309 173.787 174.900 0.327 0.000 1.291 251 G CA -0.875 44.238 45.100 0.020 0.000 0.903 251 G HN -0.066 nan 8.290 nan 0.000 0.483 252 R N -0.931 119.697 120.500 0.213 0.000 2.649 252 R HA 0.600 4.940 4.340 0.001 0.000 0.270 252 R C 0.033 176.445 176.300 0.187 0.000 1.105 252 R CA 0.019 56.236 56.100 0.195 0.000 1.193 252 R CB 1.187 31.577 30.300 0.150 0.000 1.120 252 R HN 0.965 nan 8.270 nan 0.000 0.561 253 V N -2.663 117.367 119.914 0.193 0.000 2.962 253 V HA 0.431 4.552 4.120 0.001 0.000 0.313 253 V C 0.033 176.244 176.094 0.195 0.000 1.099 253 V CA -1.167 61.261 62.300 0.213 0.000 0.971 253 V CB 1.767 33.763 31.823 0.288 0.000 1.028 253 V HN 0.907 nan 8.190 nan 0.000 0.430 254 T N -0.199 114.497 114.554 0.237 0.000 2.851 254 T HA 0.467 4.818 4.350 0.001 0.000 0.298 254 T C -0.157 174.657 174.700 0.189 0.000 0.977 254 T CA -0.046 62.208 62.100 0.257 0.000 1.126 254 T CB 1.089 70.170 68.868 0.355 0.000 0.916 254 T HN 0.990 nan 8.240 nan 0.000 0.529 255 E N 2.133 122.318 120.200 -0.025 0.000 2.103 255 E HA 0.334 4.685 4.350 0.001 0.000 0.254 255 E C -0.456 175.946 176.600 -0.330 0.000 0.940 255 E CA -1.114 55.218 56.400 -0.112 0.000 0.771 255 E CB -0.460 29.143 29.700 -0.161 0.000 1.153 255 E HN 0.648 nan 8.360 nan 0.000 0.428 256 F N 2.406 122.277 119.950 -0.132 0.000 2.502 256 F HA 0.039 4.567 4.527 0.001 0.000 0.298 256 F C 1.705 177.394 175.800 -0.186 0.000 1.111 256 F CA 0.699 58.619 58.000 -0.133 0.000 1.445 256 F CB 0.146 39.166 39.000 0.034 0.000 1.081 256 F HN 0.374 nan 8.300 nan 0.000 0.558 257 K N -0.929 119.414 120.400 -0.095 0.000 2.211 257 K HA -0.214 4.107 4.320 0.001 0.000 0.203 257 K C 1.782 178.163 176.600 -0.366 0.000 1.050 257 K CA 1.166 57.365 56.287 -0.147 0.000 0.945 257 K CB -0.415 32.025 32.500 -0.100 0.000 0.732 257 K HN 0.239 nan 8.250 nan 0.000 0.451 258 Y N 1.286 121.083 120.300 -0.838 0.000 2.030 258 Y HA -0.268 4.282 4.550 0.001 0.000 0.274 258 Y C 2.414 178.168 175.900 -0.243 0.000 1.153 258 Y CA 2.122 59.782 58.100 -0.734 0.000 1.115 258 Y CB -0.740 37.284 38.460 -0.726 0.000 0.969 258 Y HN 0.065 nan 8.280 nan 0.000 0.488 259 G N -0.920 107.824 108.800 -0.094 0.000 2.422 259 G HA2 -0.172 3.788 3.960 0.001 0.000 0.218 259 G HA3 -0.172 3.788 3.960 0.001 0.000 0.218 259 G C 1.730 176.616 174.900 -0.025 0.000 1.140 259 G CA 0.796 45.871 45.100 -0.042 0.000 0.775 259 G HN 0.628 nan 8.290 nan 0.000 0.545 260 A N 0.795 123.616 122.820 0.002 0.000 1.873 260 A HA 0.049 4.369 4.320 0.001 0.000 0.215 260 A C 2.374 179.985 177.584 0.043 0.000 1.186 260 A CA 1.728 53.793 52.037 0.046 0.000 0.616 260 A CB -0.203 18.850 19.000 0.089 0.000 0.823 260 A HN 0.184 nan 8.150 nan 0.000 0.442 261 K N -0.684 119.770 120.400 0.089 0.000 2.116 261 K HA 0.032 4.352 4.320 0.001 0.000 0.203 261 K C 1.808 178.398 176.600 -0.017 0.000 1.052 261 K CA 0.753 57.141 56.287 0.167 0.000 0.952 261 K CB -0.788 31.955 32.500 0.406 0.000 0.729 261 K HN 0.412 nan 8.250 nan 0.000 0.446 262 L N 0.924 122.067 121.223 -0.134 0.000 2.083 262 L HA -0.031 4.309 4.340 0.001 0.000 0.209 262 L C 2.009 178.672 176.870 -0.344 0.000 1.083 262 L CA 1.930 56.505 54.840 -0.443 0.000 0.752 262 L CB -0.987 40.789 42.059 -0.472 0.000 0.899 262 L HN 0.218 nan 8.230 nan 0.000 0.433 263 G N -1.707 106.959 108.800 -0.225 0.000 2.418 263 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 263 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 263 G C 1.507 176.184 174.900 -0.372 0.000 1.158 263 G CA 1.299 46.240 45.100 -0.265 0.000 0.771 263 G HN 0.504 nan 8.290 nan 0.000 0.545 264 T N -0.804 113.604 114.554 -0.243 0.000 2.857 264 T HA -0.041 4.310 4.350 0.001 0.000 0.266 264 T C 2.303 176.919 174.700 -0.140 0.000 1.048 264 T CA 1.254 63.246 62.100 -0.179 0.000 1.139 264 T CB -0.424 68.503 68.868 0.099 0.000 0.874 264 T HN 0.003 nan 8.240 nan 0.000 0.455 265 V N 1.645 121.471 119.914 -0.146 0.000 2.295 265 V HA -0.058 4.062 4.120 0.001 0.000 0.246 265 V C 2.687 178.619 176.094 -0.270 0.000 1.049 265 V CA 1.609 63.805 62.300 -0.172 0.000 1.024 265 V CB -0.597 31.047 31.823 -0.298 0.000 0.648 265 V HN 0.486 nan 8.190 nan 0.000 0.447 266 I N -0.596 119.759 120.570 -0.359 0.000 2.493 266 I HA -0.174 3.997 4.170 0.001 0.000 0.254 266 I C 2.516 178.464 176.117 -0.281 0.000 1.160 266 I CA 1.299 62.390 61.300 -0.348 0.000 1.445 266 I CB -0.308 37.468 38.000 -0.372 0.000 1.086 266 I HN 0.204 nan 8.210 nan 0.000 0.433 267 R N 0.893 121.186 120.500 -0.345 0.000 2.275 267 R HA 0.041 4.381 4.340 0.001 0.000 0.199 267 R C 0.338 176.554 176.300 -0.140 0.000 0.989 267 R CA 0.138 56.016 56.100 -0.371 0.000 1.016 267 R CB 0.078 29.817 30.300 -0.934 0.000 0.918 267 R HN 0.164 nan 8.270 nan 0.000 0.473 268 K N -0.661 119.682 120.400 -0.096 0.000 3.129 268 K HA -0.157 4.163 4.320 0.001 0.000 0.273 268 K C -1.033 175.705 176.600 0.230 0.000 1.123 268 K CA 0.341 56.649 56.287 0.035 0.000 0.800 268 K CB -1.016 31.490 32.500 0.010 0.000 1.238 268 K HN 0.137 nan 8.250 nan 0.000 0.492 269 W N 2.351 123.645 121.300 -0.011 0.000 2.190 269 W HA 0.089 4.750 4.660 0.001 0.000 0.330 269 W C 1.002 177.534 176.519 0.023 0.000 1.299 269 W CA 0.104 57.451 57.345 0.004 0.000 1.215 269 W CB -0.310 29.153 29.460 0.006 0.000 1.147 269 W HN 0.432 nan 8.180 nan 0.000 0.563 270 N N -0.025 118.783 118.700 0.181 0.000 2.699 270 N HA -0.204 4.537 4.740 0.001 0.000 0.256 270 N C 0.658 176.240 175.510 0.119 0.000 0.993 270 N CA 1.436 54.548 53.050 0.102 0.000 0.759 270 N CB -1.510 37.028 38.487 0.084 0.000 0.906 270 N HN 1.093 nan 8.380 nan 0.000 0.541 271 G N -2.186 106.685 108.800 0.119 0.000 2.189 271 G HA2 -0.389 3.571 3.960 0.001 0.000 0.267 271 G HA3 -0.389 3.571 3.960 0.001 0.000 0.267 271 G C -0.126 174.888 174.900 0.190 0.000 0.975 271 G CA 0.595 45.773 45.100 0.129 0.000 0.644 271 G HN 0.798 nan 8.290 nan 0.000 0.537 272 E N 0.472 120.792 120.200 0.199 0.000 2.373 272 E HA 0.521 4.872 4.350 0.001 0.000 0.263 272 E C 0.445 177.061 176.600 0.026 0.000 1.073 272 E CA 0.184 56.738 56.400 0.256 0.000 0.894 272 E CB 0.662 30.514 29.700 0.253 0.000 1.008 272 E HN 0.659 nan 8.360 nan 0.000 0.420 273 K N 0.683 120.978 120.400 -0.175 0.000 2.532 273 K HA 0.312 4.632 4.320 0.001 0.000 0.265 273 K C 0.365 176.758 176.600 -0.345 0.000 0.948 273 K CA -0.799 55.280 56.287 -0.347 0.000 0.842 273 K CB 1.017 33.225 32.500 -0.487 0.000 1.392 273 K HN 0.313 nan 8.250 nan 0.000 0.436 274 M N 1.159 120.571 119.600 -0.313 0.000 2.346 274 M HA -0.174 4.306 4.480 0.001 0.000 0.263 274 M C 1.743 177.976 176.300 -0.113 0.000 1.064 274 M CA 2.099 57.214 55.300 -0.308 0.000 1.083 274 M CB -0.439 31.940 32.600 -0.369 0.000 1.399 274 M HN 0.869 nan 8.290 nan 0.000 0.435 275 S N -0.369 115.247 115.700 -0.140 0.000 2.442 275 S HA -0.151 4.319 4.470 0.001 0.000 0.236 275 S C 1.391 176.134 174.600 0.238 0.000 1.007 275 S CA 0.820 59.067 58.200 0.078 0.000 0.965 275 S CB -0.690 62.474 63.200 -0.060 0.000 0.773 275 S HN 0.466 nan 8.310 nan 0.000 0.504 276 Y N 1.573 121.963 120.300 0.149 0.000 2.583 276 Y HA 0.363 4.913 4.550 0.001 0.000 0.293 276 Y C 1.631 177.715 175.900 0.306 0.000 1.157 276 Y CA -0.850 57.371 58.100 0.202 0.000 1.315 276 Y CB -0.766 37.837 38.460 0.237 0.000 1.021 276 Y HN 0.287 nan 8.280 nan 0.000 0.536 277 L N -0.072 121.288 121.223 0.229 0.000 2.650 277 L HA -0.058 4.283 4.340 0.001 0.000 0.235 277 L C 2.292 179.044 176.870 -0.197 0.000 1.149 277 L CA 0.477 55.294 54.840 -0.039 0.000 0.887 277 L CB -0.301 41.519 42.059 -0.398 0.000 1.021 277 L HN 0.116 nan 8.230 nan 0.000 0.441 278 K N 1.817 121.978 120.400 -0.398 0.000 2.103 278 K HA -0.188 4.132 4.320 0.001 0.000 0.207 278 K C 1.185 177.513 176.600 -0.453 0.000 1.048 278 K CA 1.762 57.463 56.287 -0.976 0.000 0.930 278 K CB 0.087 32.184 32.500 -0.672 0.000 0.716 278 K HN 0.432 nan 8.250 nan 0.000 0.444 279 N N -0.319 118.323 118.700 -0.097 0.000 2.389 279 N HA -0.078 4.663 4.740 0.001 0.000 0.260 279 N C -0.585 174.988 175.510 0.104 0.000 1.191 279 N CA -0.495 52.545 53.050 -0.016 0.000 0.885 279 N CB -0.548 37.941 38.487 0.003 0.000 1.162 279 N HN 0.248 nan 8.380 nan 0.000 0.512 280 W N 1.592 122.712 121.300 -0.300 0.000 2.314 280 W HA 0.300 4.960 4.660 0.000 0.000 0.339 280 W C 0.529 176.705 176.519 -0.570 0.000 1.293 280 W CA 2.149 59.078 57.345 -0.693 0.000 1.288 280 W CB 0.395 29.395 29.460 -0.766 0.000 1.186 280 W HN 0.466 nan 8.180 nan 0.000 0.566 281 G N 4.029 112.062 108.800 -1.279 0.000 2.395 281 G HA2 -0.288 3.672 3.960 0.001 0.000 0.201 281 G HA3 -0.288 3.672 3.960 0.001 0.000 0.201 281 G C 0.371 174.871 174.900 -0.668 0.000 1.206 281 G CA 0.083 44.562 45.100 -1.036 0.000 1.210 281 G HN 0.459 nan 8.290 nan 0.000 0.557 282 E N 0.682 120.751 120.200 -0.218 0.000 2.171 282 E HA 0.001 4.351 4.350 0.001 0.000 0.197 282 E C 2.512 179.004 176.600 -0.181 0.000 0.997 282 E CA 1.892 58.233 56.400 -0.098 0.000 0.810 282 E CB -0.556 29.159 29.700 0.025 0.000 0.738 282 E HN 0.861 nan 8.360 nan 0.000 0.467 283 G N -0.432 108.266 108.800 -0.170 0.000 2.479 283 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 283 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 283 G C 0.430 175.196 174.900 -0.222 0.000 1.115 283 G CA 0.422 45.443 45.100 -0.133 0.000 0.757 283 G HN 0.264 nan 8.290 nan 0.000 0.560 284 W N -0.094 120.761 121.300 -0.742 0.000 3.330 284 W HA 0.461 5.121 4.660 0.000 0.000 0.348 284 W C 1.568 177.623 176.519 -0.773 0.000 1.205 284 W CA -0.449 56.360 57.345 -0.893 0.000 1.841 284 W CB -0.019 28.544 29.460 -1.495 0.000 1.084 284 W HN 0.289 nan 8.180 nan 0.000 0.665 285 G N -0.425 108.177 108.800 -0.331 0.000 2.136 285 G HA2 -0.290 3.670 3.960 0.001 0.000 0.242 285 G HA3 -0.290 3.670 3.960 0.001 0.000 0.242 285 G C -0.011 174.949 174.900 0.100 0.000 0.989 285 G CA -0.521 44.516 45.100 -0.104 0.000 0.682 285 G HN -0.007 nan 8.290 nan 0.000 0.522 286 F N 0.340 120.249 119.950 -0.068 0.000 2.378 286 F HA 0.591 5.118 4.527 0.000 0.000 0.319 286 F C 1.429 177.283 175.800 0.090 0.000 1.155 286 F CA -1.357 56.615 58.000 -0.046 0.000 1.157 286 F CB 0.440 39.279 39.000 -0.268 0.000 1.252 286 F HN 0.351 nan 8.300 nan 0.000 0.550 287 V N -0.191 119.953 119.914 0.383 0.000 3.237 287 V HA 0.264 4.384 4.120 0.001 0.000 0.305 287 V C -2.462 173.792 176.094 0.268 0.000 1.096 287 V CA -1.833 60.681 62.300 0.356 0.000 1.130 287 V CB -0.407 31.659 31.823 0.404 0.000 1.048 287 V HN 0.531 nan 8.190 nan 0.000 0.484 288 P HA 0.025 nan 4.420 nan 0.000 0.263 288 P C 1.006 178.241 177.300 -0.107 0.000 1.175 288 P CA 0.843 63.935 63.100 -0.013 0.000 0.761 288 P CB 0.646 32.245 31.700 -0.167 0.000 0.794 289 S N 2.864 118.492 115.700 -0.121 0.000 2.387 289 S HA -0.211 4.260 4.470 0.001 0.000 0.230 289 S C 1.322 175.710 174.600 -0.355 0.000 1.035 289 S CA 2.001 59.932 58.200 -0.449 0.000 1.014 289 S CB -0.826 62.202 63.200 -0.286 0.000 0.836 289 S HN 0.632 nan 8.310 nan 0.000 0.466 290 D N -0.412 119.841 120.400 -0.245 0.000 2.363 290 D HA -0.017 4.623 4.640 0.001 0.000 0.226 290 D C 1.369 177.521 176.300 -0.248 0.000 1.020 290 D CA 0.304 54.172 54.000 -0.220 0.000 0.892 290 D CB -0.217 40.459 40.800 -0.206 0.000 0.900 290 D HN 0.278 nan 8.370 nan 0.000 0.531 291 R N -0.257 120.064 120.500 -0.298 0.000 2.509 291 R HA 0.444 4.785 4.340 0.001 0.000 0.297 291 R C -0.029 176.192 176.300 -0.132 0.000 0.951 291 R CA -0.150 55.774 56.100 -0.293 0.000 1.103 291 R CB 0.847 30.705 30.300 -0.736 0.000 1.283 291 R HN 0.180 nan 8.270 nan 0.000 0.534 292 A N 1.541 124.264 122.820 -0.163 0.000 2.312 292 A HA 0.566 4.886 4.320 0.001 0.000 0.326 292 A C -0.667 176.868 177.584 -0.082 0.000 1.172 292 A CA -0.461 51.502 52.037 -0.123 0.000 0.821 292 A CB 1.029 19.880 19.000 -0.250 0.000 1.166 292 A HN 0.113 nan 8.150 nan 0.000 0.493 293 L N 4.705 125.918 121.223 -0.016 0.000 2.319 293 L HA 0.654 4.994 4.340 0.001 0.000 0.281 293 L C -0.505 176.343 176.870 -0.037 0.000 1.005 293 L CA -0.404 54.446 54.840 0.017 0.000 0.828 293 L CB 0.988 43.063 42.059 0.028 0.000 1.227 293 L HN 0.707 nan 8.230 nan 0.000 0.415 294 V N 3.060 122.869 119.914 -0.174 0.000 2.881 294 V HA 0.846 4.967 4.120 0.001 0.000 0.316 294 V C -0.729 175.237 176.094 -0.213 0.000 1.070 294 V CA -0.599 61.407 62.300 -0.491 0.000 0.976 294 V CB 1.900 33.095 31.823 -1.047 0.000 1.038 294 V HN 0.742 nan 8.190 nan 0.000 0.446 295 F N -0.741 119.013 119.950 -0.327 0.000 2.770 295 F HA 0.752 5.280 4.527 0.000 0.000 0.313 295 F C -0.014 175.796 175.800 0.016 0.000 1.154 295 F CA -0.834 57.082 58.000 -0.140 0.000 0.923 295 F CB 0.664 39.583 39.000 -0.135 0.000 1.301 295 F HN 0.254 nan 8.300 nan 0.000 0.449 296 V N 0.024 120.067 119.914 0.215 0.000 2.331 296 V HA 0.047 4.167 4.120 0.001 0.000 0.242 296 V C 0.177 176.442 176.094 0.285 0.000 1.034 296 V CA 1.948 64.360 62.300 0.187 0.000 1.027 296 V CB -0.487 31.410 31.823 0.124 0.000 0.667 296 V HN 0.915 nan 8.190 nan 0.000 0.457 297 D N -0.313 120.338 120.400 0.419 0.000 2.552 297 D HA 0.305 4.946 4.640 0.001 0.000 0.239 297 D C -1.060 175.428 176.300 0.312 0.000 1.139 297 D CA -0.616 53.608 54.000 0.373 0.000 0.914 297 D CB 1.884 42.848 40.800 0.273 0.000 1.461 297 D HN 0.296 nan 8.370 nan 0.000 0.462 298 N N -1.608 117.173 118.700 0.135 0.000 2.629 298 N HA 0.082 4.823 4.740 0.001 0.000 0.279 298 N C 1.182 176.603 175.510 -0.148 0.000 1.344 298 N CA -0.495 52.501 53.050 -0.089 0.000 0.789 298 N CB 0.545 38.809 38.487 -0.371 0.000 1.508 298 N HN 0.596 nan 8.380 nan 0.000 0.516 299 H N -0.975 117.907 119.070 -0.312 0.000 2.460 299 H HA -0.080 4.477 4.556 0.001 0.000 0.297 299 H C -0.177 174.788 175.328 -0.605 0.000 1.103 299 H CA 1.441 57.050 56.048 -0.731 0.000 1.292 299 H CB -0.127 28.863 29.762 -1.288 0.000 1.376 299 H HN 0.496 nan 8.280 nan 0.000 0.531 300 D N 1.431 121.355 120.400 -0.792 0.000 2.107 300 D HA -0.128 4.513 4.640 0.001 0.000 0.204 300 D C 2.013 178.254 176.300 -0.097 0.000 0.978 300 D CA 1.545 55.305 54.000 -0.400 0.000 0.852 300 D CB -0.339 40.305 40.800 -0.260 0.000 1.008 300 D HN 0.596 nan 8.370 nan 0.000 0.458 301 N N 0.980 119.681 118.700 0.002 0.000 2.550 301 N HA -0.151 4.589 4.740 0.001 0.000 0.186 301 N C 1.415 176.990 175.510 0.109 0.000 1.110 301 N CA 0.679 53.790 53.050 0.101 0.000 0.912 301 N CB -0.710 37.889 38.487 0.187 0.000 0.968 301 N HN 0.387 nan 8.380 nan 0.000 0.448 302 Q N 0.723 120.559 119.800 0.061 0.000 2.369 302 Q HA -0.065 4.275 4.340 0.001 0.000 0.206 302 Q C 0.931 177.071 176.000 0.234 0.000 0.963 302 Q CA 0.738 56.621 55.803 0.134 0.000 0.894 302 Q CB -0.138 28.668 28.738 0.113 0.000 0.965 302 Q HN 0.596 nan 8.270 nan 0.000 0.475 303 R N -0.613 119.954 120.500 0.111 0.000 2.613 303 R HA 0.408 4.749 4.340 0.001 0.000 0.361 303 R C 0.549 176.961 176.300 0.187 0.000 1.072 303 R CA 0.071 56.261 56.100 0.151 0.000 1.089 303 R CB 0.273 30.442 30.300 -0.218 0.000 1.343 303 R HN 0.188 nan 8.270 nan 0.000 0.571 304 G N 1.461 110.376 108.800 0.191 0.000 2.225 304 G HA2 -0.354 3.606 3.960 0.001 0.000 0.267 304 G HA3 -0.354 3.606 3.960 0.001 0.000 0.267 304 G C 0.219 175.240 174.900 0.202 0.000 1.024 304 G CA 0.966 46.181 45.100 0.191 0.000 0.784 304 G HN 0.670 nan 8.290 nan 0.000 0.507 305 H N -0.862 118.260 119.070 0.085 0.000 2.705 305 H HA 0.434 4.991 4.556 0.001 0.000 0.269 305 H C 1.851 177.206 175.328 0.044 0.000 0.998 305 H CA 1.665 57.778 56.048 0.108 0.000 1.193 305 H CB 0.309 30.219 29.762 0.247 0.000 1.485 305 H HN 0.469 nan 8.280 nan 0.000 0.521 306 G N -0.461 108.365 108.800 0.044 0.000 3.392 306 G HA2 0.592 4.553 3.960 0.001 0.000 0.188 306 G HA3 0.592 4.553 3.960 0.001 0.000 0.188 306 G C -0.783 174.069 174.900 -0.079 0.000 1.485 306 G CA 0.018 45.091 45.100 -0.044 0.000 0.943 306 G HN 0.359 nan 8.290 nan 0.000 0.627 307 A N -2.524 120.257 122.820 -0.066 0.000 2.435 307 A HA 0.729 5.050 4.320 0.001 0.000 0.304 307 A C 0.368 177.998 177.584 0.078 0.000 1.064 307 A CA 0.438 52.439 52.037 -0.060 0.000 0.727 307 A CB 1.411 20.294 19.000 -0.195 0.000 1.284 307 A HN 2.211 nan 8.150 nan 0.000 0.415 308 G N -0.041 108.805 108.800 0.077 0.000 2.813 308 G HA2 0.492 4.452 3.960 0.001 0.000 0.194 308 G HA3 0.492 4.452 3.960 0.001 0.000 0.194 308 G C 1.528 176.497 174.900 0.115 0.000 1.010 308 G CA 1.047 46.218 45.100 0.118 0.000 0.771 308 G HN 2.912 nan 8.290 nan 0.000 0.485 309 G N 0.039 108.904 108.800 0.109 0.000 2.593 309 G HA2 0.258 4.219 3.960 0.001 0.000 0.237 309 G HA3 0.258 4.219 3.960 0.001 0.000 0.237 309 G C 1.097 176.097 174.900 0.166 0.000 1.312 309 G CA 1.604 46.785 45.100 0.135 0.000 0.896 309 G HN 1.833 nan 8.290 nan 0.000 0.574 310 A N -0.402 122.557 122.820 0.232 0.000 2.238 310 A HA 0.445 4.766 4.320 0.001 0.000 0.208 310 A C 2.509 180.206 177.584 0.190 0.000 1.177 310 A CA 2.122 54.316 52.037 0.261 0.000 0.804 310 A CB -0.571 18.629 19.000 0.332 0.000 0.823 310 A HN 2.193 nan 8.150 nan 0.000 0.482 311 S N -0.067 115.691 115.700 0.097 0.000 2.453 311 S HA 0.059 4.529 4.470 0.001 0.000 0.231 311 S C 0.809 175.285 174.600 -0.206 0.000 1.005 311 S CA -0.086 57.915 58.200 -0.332 0.000 0.949 311 S CB -0.485 62.594 63.200 -0.202 0.000 0.774 311 S HN 0.280 nan 8.310 nan 0.000 0.510 312 I N 2.967 123.521 120.570 -0.026 0.000 2.826 312 I HA 0.065 4.235 4.170 0.001 0.000 0.295 312 I C 0.360 176.489 176.117 0.020 0.000 1.213 312 I CA 0.104 61.421 61.300 0.029 0.000 1.436 312 I CB -0.644 37.421 38.000 0.107 0.000 1.348 312 I HN 0.340 nan 8.210 nan 0.000 0.570 313 L N 6.892 128.149 121.223 0.056 0.000 2.325 313 L HA 0.496 4.837 4.340 0.001 0.000 0.279 313 L C 0.592 177.555 176.870 0.154 0.000 1.054 313 L CA -0.267 54.639 54.840 0.110 0.000 0.804 313 L CB 1.685 43.841 42.059 0.161 0.000 1.200 313 L HN 0.794 nan 8.230 nan 0.000 0.436 314 T N -2.070 112.430 114.554 -0.090 0.000 2.778 314 T HA 0.322 4.672 4.350 0.001 0.000 0.293 314 T C 0.763 174.921 174.700 -0.904 0.000 1.144 314 T CA -0.640 61.130 62.100 -0.551 0.000 1.010 314 T CB 0.740 69.434 68.868 -0.291 0.000 1.325 314 T HN 0.419 nan 8.240 nan 0.000 0.515 315 F N -1.079 118.319 119.950 -0.921 0.000 2.307 315 F HA 0.119 4.646 4.527 0.001 0.000 0.301 315 F C 1.687 177.386 175.800 -0.168 0.000 1.076 315 F CA 0.191 57.885 58.000 -0.511 0.000 1.383 315 F CB -1.131 37.609 39.000 -0.434 0.000 1.055 315 F HN 0.566 nan 8.300 nan 0.000 0.526 316 W N 1.366 122.207 121.300 -0.764 0.000 2.374 316 W HA -0.120 4.541 4.660 0.001 0.000 0.288 316 W C 0.824 177.262 176.519 -0.136 0.000 1.218 316 W CA 1.018 58.111 57.345 -0.420 0.000 1.245 316 W CB -0.254 28.901 29.460 -0.507 0.000 1.126 316 W HN -0.046 nan 8.180 nan 0.000 0.545 317 D N -0.121 120.335 120.400 0.093 0.000 3.179 317 D HA 0.253 4.894 4.640 0.001 0.000 0.267 317 D C 1.516 177.930 176.300 0.189 0.000 1.348 317 D CA 0.326 54.396 54.000 0.117 0.000 0.897 317 D CB -0.034 40.811 40.800 0.076 0.000 1.062 317 D HN 0.005 nan 8.370 nan 0.000 0.494 318 A N 1.258 124.220 122.820 0.236 0.000 1.893 318 A HA -0.358 3.963 4.320 0.001 0.000 0.222 318 A C 2.185 179.949 177.584 0.300 0.000 1.309 318 A CA 2.048 54.291 52.037 0.343 0.000 0.681 318 A CB -0.484 18.617 19.000 0.168 0.000 0.842 318 A HN 0.365 nan 8.150 nan 0.000 0.468 319 R N -0.641 119.963 120.500 0.172 0.000 2.094 319 R HA -0.116 4.224 4.340 0.001 0.000 0.239 319 R C 2.164 178.538 176.300 0.123 0.000 1.137 319 R CA 2.033 58.215 56.100 0.137 0.000 0.943 319 R CB -0.428 29.923 30.300 0.085 0.000 0.850 319 R HN 0.582 nan 8.270 nan 0.000 0.433 320 L N -0.854 120.425 121.223 0.094 0.000 2.156 320 L HA -0.147 4.193 4.340 0.001 0.000 0.208 320 L C 2.288 179.196 176.870 0.063 0.000 1.095 320 L CA 0.828 55.684 54.840 0.026 0.000 0.770 320 L CB -0.553 41.495 42.059 -0.018 0.000 0.914 320 L HN 0.284 nan 8.230 nan 0.000 0.439 321 Y N 1.445 121.769 120.300 0.041 0.000 2.128 321 Y HA -0.280 4.270 4.550 0.001 0.000 0.284 321 Y C 2.553 178.503 175.900 0.084 0.000 1.154 321 Y CA 1.598 59.740 58.100 0.070 0.000 1.149 321 Y CB -0.136 38.420 38.460 0.159 0.000 0.976 321 Y HN -0.009 nan 8.280 nan 0.000 0.505 322 K N -0.569 119.947 120.400 0.193 0.000 2.097 322 K HA -0.234 4.087 4.320 0.001 0.000 0.206 322 K C 2.290 178.791 176.600 -0.165 0.000 1.049 322 K CA 1.799 58.163 56.287 0.129 0.000 0.933 322 K CB -0.261 32.458 32.500 0.365 0.000 0.717 322 K HN 0.399 nan 8.250 nan 0.000 0.442 323 M N 0.069 119.493 119.600 -0.294 0.000 2.132 323 M HA -0.135 4.345 4.480 0.001 0.000 0.263 323 M C 2.122 178.193 176.300 -0.383 0.000 1.065 323 M CA 1.403 56.346 55.300 -0.595 0.000 1.122 323 M CB -0.015 32.352 32.600 -0.388 0.000 1.365 323 M HN 0.205 nan 8.290 nan 0.000 0.411 324 A N -0.609 122.034 122.820 -0.295 0.000 1.873 324 A HA -0.113 4.208 4.320 0.001 0.000 0.215 324 A C 2.005 179.479 177.584 -0.182 0.000 1.186 324 A CA 1.706 53.583 52.037 -0.266 0.000 0.616 324 A CB -1.036 17.827 19.000 -0.228 0.000 0.823 324 A HN 0.364 nan 8.150 nan 0.000 0.442 325 V N -0.015 119.738 119.914 -0.268 0.000 2.343 325 V HA -0.173 3.948 4.120 0.001 0.000 0.247 325 V C 2.795 178.853 176.094 -0.060 0.000 1.051 325 V CA 1.919 64.100 62.300 -0.199 0.000 1.036 325 V CB -1.410 30.225 31.823 -0.313 0.000 0.654 325 V HN 0.618 nan 8.190 nan 0.000 0.451 326 G N -0.961 107.800 108.800 -0.064 0.000 2.418 326 G HA2 -0.307 3.653 3.960 0.001 0.000 0.217 326 G HA3 -0.307 3.653 3.960 0.001 0.000 0.217 326 G C 1.563 176.536 174.900 0.121 0.000 1.158 326 G CA 0.949 46.072 45.100 0.038 0.000 0.771 326 G HN 0.484 nan 8.290 nan 0.000 0.545 327 F N 0.945 120.890 119.950 -0.009 0.000 2.102 327 F HA -0.010 4.518 4.527 0.001 0.000 0.298 327 F C 2.644 178.499 175.800 0.091 0.000 1.105 327 F CA 2.056 60.061 58.000 0.009 0.000 1.239 327 F CB -0.133 38.584 39.000 -0.472 0.000 0.991 327 F HN 0.163 nan 8.300 nan 0.000 0.474 328 M N 0.045 119.748 119.600 0.171 0.000 2.065 328 M HA -0.237 4.243 4.480 0.001 0.000 0.259 328 M C 1.977 178.345 176.300 0.114 0.000 1.069 328 M CA 2.008 57.444 55.300 0.227 0.000 1.110 328 M CB -0.510 32.237 32.600 0.245 0.000 1.328 328 M HN 0.291 nan 8.290 nan 0.000 0.405 329 L N 0.012 121.263 121.223 0.047 0.000 2.275 329 L HA -0.103 4.238 4.340 0.001 0.000 0.215 329 L C 2.559 179.467 176.870 0.063 0.000 1.119 329 L CA 0.782 55.636 54.840 0.023 0.000 0.790 329 L CB -0.751 41.305 42.059 -0.004 0.000 0.919 329 L HN 0.454 nan 8.230 nan 0.000 0.443 330 A N -2.078 120.756 122.820 0.024 0.000 1.984 330 A HA -0.066 4.254 4.320 0.001 0.000 0.214 330 A C 1.174 178.954 177.584 0.326 0.000 1.173 330 A CA 0.205 52.299 52.037 0.094 0.000 0.673 330 A CB -0.301 18.625 19.000 -0.122 0.000 0.830 330 A HN 0.283 nan 8.150 nan 0.000 0.453 331 H N 1.031 120.138 119.070 0.063 0.000 2.646 331 H HA 0.179 4.736 4.556 0.001 0.000 0.325 331 H C -1.670 173.716 175.328 0.096 0.000 1.075 331 H CA -1.419 54.615 56.048 -0.022 0.000 1.421 331 H CB 1.503 31.094 29.762 -0.285 0.000 1.461 331 H HN 0.112 nan 8.280 nan 0.000 0.525 332 P HA -0.157 nan 4.420 nan 0.000 0.225 332 P C 0.308 177.722 177.300 0.190 0.000 1.148 332 P CA 0.578 63.728 63.100 0.083 0.000 0.779 332 P CB -0.167 31.530 31.700 -0.005 0.000 0.780 333 Y N 2.313 122.814 120.300 0.336 0.000 2.632 333 Y HA 0.299 4.849 4.550 0.001 0.000 0.329 333 Y C 1.313 177.251 175.900 0.062 0.000 1.174 333 Y CA 1.301 59.520 58.100 0.199 0.000 1.469 333 Y CB -0.357 38.227 38.460 0.207 0.000 1.242 333 Y HN 0.320 nan 8.280 nan 0.000 0.540 334 G N 4.624 112.993 108.800 -0.719 0.000 2.806 334 G HA2 -0.327 3.634 3.960 0.001 0.000 0.236 334 G HA3 -0.327 3.634 3.960 0.001 0.000 0.236 334 G C -1.280 173.520 174.900 -0.166 0.000 1.387 334 G CA -0.169 44.610 45.100 -0.535 0.000 0.884 334 G HN 0.918 nan 8.290 nan 0.000 0.560 335 F N 1.959 121.750 119.950 -0.265 0.000 2.411 335 F HA 0.619 5.146 4.527 0.001 0.000 0.352 335 F C 1.213 176.897 175.800 -0.193 0.000 1.123 335 F CA -0.002 57.875 58.000 -0.206 0.000 1.044 335 F CB 1.418 40.294 39.000 -0.206 0.000 1.135 335 F HN 0.816 nan 8.300 nan 0.000 0.461 336 T N 3.935 118.109 114.554 -0.632 0.000 2.832 336 T HA 0.379 4.730 4.350 0.001 0.000 0.296 336 T C -0.256 174.209 174.700 -0.393 0.000 0.968 336 T CA -0.814 61.027 62.100 -0.432 0.000 1.107 336 T CB 1.150 69.821 68.868 -0.329 0.000 0.916 336 T HN 0.773 nan 8.240 nan 0.000 0.517 337 R N 2.547 122.953 120.500 -0.156 0.000 2.439 337 R HA 0.559 4.900 4.340 0.001 0.000 0.310 337 R C -1.398 174.914 176.300 0.020 0.000 0.955 337 R CA -0.705 55.353 56.100 -0.069 0.000 0.853 337 R CB 1.339 31.613 30.300 -0.043 0.000 1.171 337 R HN 0.608 nan 8.270 nan 0.000 0.449 338 V N 5.581 125.520 119.914 0.041 0.000 2.509 338 V HA 0.269 4.389 4.120 0.001 0.000 0.284 338 V C 0.367 176.527 176.094 0.110 0.000 1.047 338 V CA -0.585 61.770 62.300 0.091 0.000 0.952 338 V CB 1.391 33.304 31.823 0.150 0.000 0.988 338 V HN 0.776 nan 8.190 nan 0.000 0.469 339 M N 4.200 123.886 119.600 0.143 0.000 2.249 339 M HA 0.472 4.953 4.480 0.001 0.000 0.351 339 M C -0.120 176.222 176.300 0.069 0.000 1.180 339 M CA 0.508 55.889 55.300 0.135 0.000 1.127 339 M CB 1.344 34.061 32.600 0.196 0.000 1.546 339 M HN 0.637 nan 8.290 nan 0.000 0.461 340 S N 2.600 118.303 115.700 0.005 0.000 2.736 340 S HA 0.811 5.281 4.470 0.001 0.000 0.285 340 S C -1.230 173.418 174.600 0.080 0.000 1.163 340 S CA -0.567 57.636 58.200 0.005 0.000 1.025 340 S CB 0.516 63.639 63.200 -0.127 0.000 1.030 340 S HN 0.861 nan 8.310 nan 0.000 0.486 341 S N 3.228 118.969 115.700 0.068 0.000 2.841 341 S HA 0.841 5.311 4.470 0.001 0.000 0.318 341 S C -1.231 173.459 174.600 0.149 0.000 1.127 341 S CA -0.853 57.415 58.200 0.113 0.000 0.883 341 S CB 0.551 63.725 63.200 -0.043 0.000 1.271 341 S HN 0.807 nan 8.310 nan 0.000 0.567 342 Y N -0.818 119.557 120.300 0.125 0.000 2.562 342 Y HA 0.796 5.346 4.550 0.000 0.000 0.343 342 Y C -0.380 175.506 175.900 -0.024 0.000 1.025 342 Y CA -1.471 56.574 58.100 -0.091 0.000 1.082 342 Y CB 0.805 39.035 38.460 -0.382 0.000 1.264 342 Y HN 0.494 nan 8.280 nan 0.000 0.478 343 R N 1.334 121.902 120.500 0.113 0.000 2.410 343 R HA 0.446 4.786 4.340 0.001 0.000 0.288 343 R C -1.497 175.107 176.300 0.507 0.000 1.051 343 R CA -0.397 55.803 56.100 0.167 0.000 1.021 343 R CB 0.925 31.214 30.300 -0.019 0.000 1.032 343 R HN 0.953 nan 8.270 nan 0.000 0.481 344 W N 1.960 123.500 121.300 0.400 0.000 3.031 344 W HA 0.493 5.153 4.660 0.000 0.000 0.337 344 W C -2.556 174.117 176.519 0.258 0.000 1.187 344 W CA -2.581 54.928 57.345 0.274 0.000 1.166 344 W CB 0.366 29.981 29.460 0.258 0.000 1.437 344 W HN 0.309 nan 8.180 nan 0.000 0.551 345 P HA 0.125 nan 4.420 nan 0.000 0.263 345 P C -0.299 176.941 177.300 -0.100 0.000 1.601 345 P CA 0.032 63.138 63.100 0.009 0.000 1.161 345 P CB 0.301 32.030 31.700 0.048 0.000 1.730 346 R N 2.453 122.688 120.500 -0.442 0.000 2.484 346 R HA 0.051 4.391 4.340 0.001 0.000 0.293 346 R C 0.498 176.623 176.300 -0.292 0.000 1.023 346 R CA 0.478 56.281 56.100 -0.495 0.000 1.037 346 R CB 0.356 30.085 30.300 -0.950 0.000 0.951 346 R HN 0.515 nan 8.270 nan 0.000 0.418 347 Q N 4.117 123.774 119.800 -0.238 0.000 2.490 347 Q HA 0.210 4.550 4.340 0.001 0.000 0.255 347 Q C -1.439 174.475 176.000 -0.144 0.000 0.997 347 Q CA -0.455 55.280 55.803 -0.114 0.000 0.709 347 Q CB 0.622 29.348 28.738 -0.021 0.000 1.255 347 Q HN 0.388 nan 8.270 nan 0.000 0.486 348 F N 2.237 122.170 119.950 -0.028 0.000 2.438 348 F HA 0.275 4.802 4.527 0.000 0.000 0.356 348 F C 0.369 176.178 175.800 0.014 0.000 1.099 348 F CA 0.321 58.317 58.000 -0.007 0.000 1.185 348 F CB 1.122 40.097 39.000 -0.041 0.000 1.115 348 F HN 0.407 nan 8.300 nan 0.000 0.526 349 Q N 3.043 122.971 119.800 0.212 0.000 2.292 349 Q HA 0.260 4.601 4.340 0.001 0.000 0.270 349 Q C -0.520 175.566 176.000 0.143 0.000 1.024 349 Q CA -0.902 54.987 55.803 0.144 0.000 0.768 349 Q CB 1.634 30.434 28.738 0.103 0.000 1.250 349 Q HN 0.571 nan 8.270 nan 0.000 0.447 350 N N 1.577 120.343 118.700 0.111 0.000 2.727 350 N HA -0.239 4.502 4.740 0.001 0.000 0.249 350 N C 0.526 176.101 175.510 0.108 0.000 1.048 350 N CA 1.533 54.635 53.050 0.087 0.000 0.714 350 N CB -1.017 37.512 38.487 0.071 0.000 0.959 350 N HN 1.150 nan 8.380 nan 0.000 0.544 351 G N -1.694 107.190 108.800 0.141 0.000 2.176 351 G HA2 -0.332 3.628 3.960 0.001 0.000 0.253 351 G HA3 -0.332 3.628 3.960 0.001 0.000 0.253 351 G C -0.069 175.030 174.900 0.331 0.000 0.979 351 G CA 0.484 45.677 45.100 0.156 0.000 0.641 351 G HN 0.611 nan 8.290 nan 0.000 0.530 352 N N 0.047 118.969 118.700 0.369 0.000 2.229 352 N HA 0.504 5.244 4.740 0.001 0.000 0.298 352 N C -1.602 173.949 175.510 0.069 0.000 1.114 352 N CA -0.709 52.521 53.050 0.300 0.000 0.776 352 N CB 1.700 40.292 38.487 0.175 0.000 1.501 352 N HN 0.122 nan 8.380 nan 0.000 0.474 353 D N 0.922 121.157 120.400 -0.275 0.000 2.336 353 D HA 0.057 4.698 4.640 0.001 0.000 0.249 353 D C 1.128 177.380 176.300 -0.080 0.000 1.213 353 D CA -0.549 53.149 54.000 -0.504 0.000 0.870 353 D CB 0.895 41.292 40.800 -0.672 0.000 1.076 353 D HN 0.393 nan 8.370 nan 0.000 0.483 354 V N 1.889 121.799 119.914 -0.007 0.000 2.970 354 V HA 0.014 4.135 4.120 0.001 0.000 0.260 354 V C 0.768 176.999 176.094 0.227 0.000 1.100 354 V CA 0.807 63.194 62.300 0.146 0.000 1.122 354 V CB -0.493 31.423 31.823 0.154 0.000 0.721 354 V HN 0.381 nan 8.190 nan 0.000 0.483 355 N N 1.840 120.579 118.700 0.065 0.000 2.380 355 N HA 0.089 4.829 4.740 0.001 0.000 0.255 355 N C 0.695 176.053 175.510 -0.254 0.000 1.158 355 N CA 0.664 53.604 53.050 -0.184 0.000 0.878 355 N CB 0.206 38.634 38.487 -0.098 0.000 1.138 355 N HN 0.788 nan 8.380 nan 0.000 0.509 356 D N -0.650 119.747 120.400 -0.006 0.000 2.378 356 D HA -0.124 4.517 4.640 0.001 0.000 0.227 356 D C 1.391 177.813 176.300 0.202 0.000 1.012 356 D CA 0.093 54.104 54.000 0.018 0.000 0.905 356 D CB -0.400 40.511 40.800 0.185 0.000 0.895 356 D HN 0.506 nan 8.370 nan 0.000 0.532 357 W N 0.333 121.801 121.300 0.279 0.000 2.996 357 W HA 0.315 4.975 4.660 0.000 0.000 0.270 357 W C -0.302 176.339 176.519 0.204 0.000 1.280 357 W CA -0.596 56.945 57.345 0.327 0.000 1.549 357 W CB -0.581 29.069 29.460 0.316 0.000 1.079 357 W HN -0.302 nan 8.180 nan 0.000 0.629 358 V N 3.528 123.069 119.914 -0.621 0.000 2.625 358 V HA 0.111 4.231 4.120 0.001 0.000 0.305 358 V C 1.423 177.544 176.094 0.045 0.000 1.055 358 V CA 1.068 63.067 62.300 -0.502 0.000 1.209 358 V CB -0.464 31.067 31.823 -0.487 0.000 0.877 358 V HN 0.180 nan 8.190 nan 0.000 0.489 359 G N 6.489 115.304 108.800 0.025 0.000 2.563 359 G HA2 0.482 4.443 3.960 0.001 0.000 0.283 359 G HA3 0.482 4.443 3.960 0.001 0.000 0.283 359 G C -2.293 172.295 174.900 -0.519 0.000 1.309 359 G CA -1.043 44.017 45.100 -0.066 0.000 1.022 359 G HN 0.652 nan 8.290 nan 0.000 0.501 360 P HA 0.162 nan 4.420 nan 0.000 0.271 360 P C -2.667 174.122 177.300 -0.851 0.000 1.233 360 P CA -0.933 61.331 63.100 -1.393 0.000 0.789 360 P CB -0.113 31.152 31.700 -0.725 0.000 0.951 361 P HA 0.056 nan 4.420 nan 0.000 0.262 361 P C -0.325 176.792 177.300 -0.306 0.000 1.182 361 P CA 0.764 63.524 63.100 -0.566 0.000 0.761 361 P CB -0.190 31.049 31.700 -0.768 0.000 0.795 362 N N 0.950 119.554 118.700 -0.160 0.000 2.825 362 N HA 0.380 5.120 4.740 0.001 0.000 0.253 362 N C -1.573 173.935 175.510 -0.003 0.000 1.426 362 N CA -1.028 51.986 53.050 -0.060 0.000 0.851 362 N CB 1.186 39.656 38.487 -0.027 0.000 1.470 362 N HN 0.067 nan 8.380 nan 0.000 0.517 363 N N -0.019 118.694 118.700 0.023 0.000 2.524 363 N HA 0.347 5.088 4.740 0.001 0.000 0.261 363 N C -1.289 174.265 175.510 0.072 0.000 0.998 363 N CA -0.693 52.376 53.050 0.032 0.000 0.915 363 N CB 0.785 39.280 38.487 0.014 0.000 1.187 363 N HN 0.714 nan 8.380 nan 0.000 0.507 364 N N 1.719 120.480 118.700 0.102 0.000 2.725 364 N HA -0.207 4.533 4.740 0.001 0.000 0.249 364 N C 0.883 176.584 175.510 0.319 0.000 1.103 364 N CA 1.352 54.502 53.050 0.167 0.000 0.707 364 N CB -1.146 37.401 38.487 0.099 0.000 1.043 364 N HN 0.962 nan 8.380 nan 0.000 0.553 365 G N -3.257 105.759 108.800 0.359 0.000 2.217 365 G HA2 -0.293 3.667 3.960 0.001 0.000 0.246 365 G HA3 -0.293 3.667 3.960 0.001 0.000 0.246 365 G C 0.002 174.913 174.900 0.019 0.000 0.990 365 G CA 0.052 45.252 45.100 0.167 0.000 0.627 365 G HN 0.555 nan 8.290 nan 0.000 0.522 366 V N 3.089 123.027 119.914 0.040 0.000 2.385 366 V HA 0.407 4.527 4.120 0.001 0.000 0.269 366 V C 1.317 177.397 176.094 -0.024 0.000 1.043 366 V CA -0.660 61.637 62.300 -0.005 0.000 0.906 366 V CB 1.112 32.940 31.823 0.009 0.000 0.995 366 V HN 0.352 nan 8.190 nan 0.000 0.467 367 I N 5.180 125.717 120.570 -0.055 0.000 2.826 367 I HA -0.027 4.143 4.170 0.001 0.000 0.295 367 I C 0.974 177.093 176.117 0.005 0.000 1.213 367 I CA 0.459 61.734 61.300 -0.041 0.000 1.436 367 I CB 0.119 38.090 38.000 -0.049 0.000 1.348 367 I HN 0.576 nan 8.210 nan 0.000 0.570 368 K N 6.264 126.693 120.400 0.048 0.000 2.237 368 K HA 0.105 4.425 4.320 0.001 0.000 0.270 368 K C 0.199 176.887 176.600 0.148 0.000 1.015 368 K CA -0.605 55.733 56.287 0.085 0.000 0.949 368 K CB 0.591 33.130 32.500 0.064 0.000 0.976 368 K HN 0.491 nan 8.250 nan 0.000 0.472 369 E N 1.464 121.681 120.200 0.028 0.000 2.390 369 E HA 0.045 4.396 4.350 0.001 0.000 0.261 369 E C -0.437 176.062 176.600 -0.169 0.000 1.076 369 E CA -0.448 55.885 56.400 -0.111 0.000 0.905 369 E CB 0.598 30.240 29.700 -0.097 0.000 0.984 369 E HN 0.091 nan 8.360 nan 0.000 0.427 370 V N 3.198 122.783 119.914 -0.548 0.000 2.387 370 V HA 0.097 4.218 4.120 0.001 0.000 0.260 370 V C 0.514 176.425 176.094 -0.304 0.000 1.054 370 V CA -0.158 61.709 62.300 -0.722 0.000 0.967 370 V CB 0.024 31.010 31.823 -1.396 0.000 1.036 370 V HN 0.778 nan 8.190 nan 0.000 0.481 371 T N 4.268 118.753 114.554 -0.115 0.000 2.882 371 T HA 0.663 5.013 4.350 0.001 0.000 0.287 371 T C -0.419 174.255 174.700 -0.043 0.000 0.992 371 T CA -0.743 61.323 62.100 -0.058 0.000 1.076 371 T CB 1.503 70.366 68.868 -0.008 0.000 0.961 371 T HN 0.216 nan 8.240 nan 0.000 0.490 372 I N 3.062 123.611 120.570 -0.035 0.000 2.377 372 I HA 0.367 4.538 4.170 0.001 0.000 0.293 372 I C 0.244 176.358 176.117 -0.005 0.000 0.987 372 I CA -1.030 60.256 61.300 -0.023 0.000 1.185 372 I CB 1.255 39.240 38.000 -0.025 0.000 1.341 372 I HN 0.691 nan 8.210 nan 0.000 0.455 373 N N 7.942 126.643 118.700 0.001 0.000 2.463 373 N HA 0.313 5.054 4.740 0.001 0.000 0.270 373 N C -1.582 173.934 175.510 0.011 0.000 1.205 373 N CA -1.294 51.760 53.050 0.008 0.000 0.974 373 N CB 0.806 39.300 38.487 0.011 0.000 1.197 373 N HN 0.359 nan 8.380 nan 0.000 0.504 374 P HA -0.117 nan 4.420 nan 0.000 0.226 374 P C 0.049 177.362 177.300 0.021 0.000 1.146 374 P CA 1.230 64.340 63.100 0.017 0.000 0.773 374 P CB 0.198 31.906 31.700 0.014 0.000 0.772 375 D N -1.342 119.069 120.400 0.019 0.000 2.424 375 D HA -0.008 4.632 4.640 0.001 0.000 0.220 375 D C 0.731 177.050 176.300 0.031 0.000 1.150 375 D CA 0.598 54.612 54.000 0.024 0.000 0.831 375 D CB -0.831 39.977 40.800 0.013 0.000 0.981 375 D HN 0.195 nan 8.370 nan 0.000 0.500 376 T N -2.836 111.734 114.554 0.027 0.000 6.386 376 T HA -0.270 4.081 4.350 0.001 0.000 0.278 376 T C 0.508 175.193 174.700 -0.024 0.000 2.163 376 T CA 1.717 63.825 62.100 0.012 0.000 3.541 376 T CB -2.932 65.974 68.868 0.063 0.000 1.383 376 T HN 0.551 nan 8.240 nan 0.000 1.186 377 T N -1.133 113.424 114.554 0.006 0.000 2.824 377 T HA 0.672 5.023 4.350 0.001 0.000 0.277 377 T C 0.818 175.530 174.700 0.020 0.000 0.975 377 T CA -0.307 61.809 62.100 0.027 0.000 0.966 377 T CB 1.392 70.284 68.868 0.040 0.000 1.054 377 T HN 0.593 nan 8.240 nan 0.000 0.533 378 c N 0.387 119.023 118.600 0.059 0.000 2.399 378 c HA 0.909 5.479 4.570 0.001 0.000 0.348 378 c C 1.295 175.438 174.090 0.088 0.000 1.183 378 c CA -0.332 56.038 56.329 0.069 0.000 2.023 378 c CB 0.854 43.439 42.510 0.125 0.000 2.361 378 c HN 1.204 nan 8.230 nan 0.000 0.521 379 G N 0.204 109.058 108.800 0.089 0.000 2.938 379 G HA2 0.471 4.432 3.960 0.001 0.000 0.258 379 G HA3 0.471 4.432 3.960 0.001 0.000 0.258 379 G C -0.076 174.905 174.900 0.134 0.000 1.356 379 G CA -0.204 44.944 45.100 0.080 0.000 1.052 379 G HN 0.730 nan 8.290 nan 0.000 0.550 380 N N 0.286 119.025 118.700 0.065 0.000 2.714 380 N HA -0.152 4.588 4.740 0.001 0.000 0.250 380 N C -0.060 175.346 175.510 -0.173 0.000 1.117 380 N CA 1.367 54.425 53.050 0.013 0.000 0.719 380 N CB -0.564 38.001 38.487 0.130 0.000 1.081 380 N HN 0.684 nan 8.380 nan 0.000 0.557 381 D N -3.905 116.424 120.400 -0.117 0.000 3.090 381 D HA -0.224 4.416 4.640 0.001 0.000 0.215 381 D C -0.483 175.675 176.300 -0.237 0.000 1.140 381 D CA 1.008 54.899 54.000 -0.182 0.000 0.937 381 D CB -1.480 39.185 40.800 -0.225 0.000 1.108 381 D HN 0.515 nan 8.370 nan 0.000 0.420 382 W N 0.341 121.627 121.300 -0.024 0.000 2.338 382 W HA 0.382 5.042 4.660 0.001 0.000 0.307 382 W C 1.698 178.212 176.519 -0.008 0.000 1.167 382 W CA -0.918 56.429 57.345 0.004 0.000 1.208 382 W CB 0.878 30.296 29.460 -0.070 0.000 1.228 382 W HN -0.279 nan 8.180 nan 0.000 0.499 383 V N 2.170 122.161 119.914 0.127 0.000 2.379 383 V HA -0.236 3.884 4.120 0.001 0.000 0.245 383 V C 1.219 177.388 176.094 0.125 0.000 1.044 383 V CA 0.549 62.834 62.300 -0.025 0.000 1.036 383 V CB -0.904 30.607 31.823 -0.520 0.000 0.664 383 V HN 0.867 nan 8.190 nan 0.000 0.453 384 c N 1.175 119.878 118.600 0.171 0.000 4.056 384 c HA -0.154 4.416 4.570 0.001 0.000 0.302 384 c C 1.670 175.634 174.090 -0.211 0.000 1.356 384 c CA 0.488 56.893 56.329 0.127 0.000 2.074 384 c CB -2.553 40.010 42.510 0.089 0.000 1.328 384 c HN 0.689 nan 8.230 nan 0.000 0.684 385 E N 0.473 120.421 120.200 -0.420 0.000 2.160 385 E HA -0.197 4.153 4.350 0.001 0.000 0.195 385 E C 1.947 178.280 176.600 -0.444 0.000 0.991 385 E CA 1.697 57.469 56.400 -1.047 0.000 0.810 385 E CB -0.176 29.081 29.700 -0.738 0.000 0.742 385 E HN 0.973 nan 8.360 nan 0.000 0.466 386 H N -0.043 118.921 119.070 -0.176 0.000 2.543 386 H HA 0.078 4.635 4.556 0.001 0.000 0.286 386 H C 1.313 176.746 175.328 0.175 0.000 1.037 386 H CA 0.926 57.000 56.048 0.043 0.000 1.250 386 H CB -0.022 29.699 29.762 -0.069 0.000 1.373 386 H HN 0.094 nan 8.280 nan 0.000 0.580 387 R N -0.678 119.567 120.500 -0.425 0.000 2.312 387 R HA 0.052 4.392 4.340 0.001 0.000 0.205 387 R C -0.185 176.258 176.300 0.238 0.000 0.904 387 R CA -0.435 55.538 56.100 -0.212 0.000 1.052 387 R CB 0.260 30.256 30.300 -0.507 0.000 1.014 387 R HN 0.102 nan 8.270 nan 0.000 0.503 388 W N 2.089 123.416 121.300 0.046 0.000 2.264 388 W HA 0.083 4.743 4.660 0.000 0.000 0.331 388 W C 1.590 178.189 176.519 0.133 0.000 1.364 388 W CA -0.827 56.574 57.345 0.094 0.000 1.253 388 W CB -0.026 29.511 29.460 0.128 0.000 1.215 388 W HN 0.094 nan 8.180 nan 0.000 0.561 389 R N 1.865 122.548 120.500 0.305 0.000 2.112 389 R HA -0.326 4.014 4.340 0.001 0.000 0.242 389 R C 1.734 178.169 176.300 0.224 0.000 1.137 389 R CA 2.625 58.858 56.100 0.221 0.000 0.944 389 R CB -0.043 30.335 30.300 0.129 0.000 0.857 389 R HN 0.488 nan 8.270 nan 0.000 0.435 390 Q N 0.131 120.076 119.800 0.242 0.000 2.135 390 Q HA -0.115 4.225 4.340 0.001 0.000 0.204 390 Q C 2.054 178.220 176.000 0.278 0.000 0.981 390 Q CA 1.925 57.873 55.803 0.241 0.000 0.856 390 Q CB -0.113 28.811 28.738 0.309 0.000 0.902 390 Q HN 0.490 nan 8.270 nan 0.000 0.425 391 I N -0.281 120.482 120.570 0.321 0.000 2.339 391 I HA -0.158 4.013 4.170 0.001 0.000 0.245 391 I C 2.530 178.786 176.117 0.231 0.000 1.096 391 I CA 0.609 62.058 61.300 0.249 0.000 1.408 391 I CB -0.269 37.865 38.000 0.224 0.000 1.092 391 I HN 0.165 nan 8.210 nan 0.000 0.423 392 R N 1.533 122.212 120.500 0.299 0.000 2.091 392 R HA -0.190 4.151 4.340 0.001 0.000 0.238 392 R C 1.778 178.176 176.300 0.163 0.000 1.136 392 R CA 1.812 58.098 56.100 0.311 0.000 0.959 392 R CB -0.422 30.123 30.300 0.408 0.000 0.856 392 R HN 0.331 nan 8.270 nan 0.000 0.437 393 N N 0.144 118.947 118.700 0.172 0.000 2.309 393 N HA -0.098 4.642 4.740 0.001 0.000 0.182 393 N C 1.553 177.167 175.510 0.174 0.000 1.018 393 N CA 1.003 54.148 53.050 0.158 0.000 0.876 393 N CB -0.091 38.487 38.487 0.151 0.000 0.972 393 N HN 0.223 nan 8.380 nan 0.000 0.434 394 M N -0.131 119.555 119.600 0.143 0.000 2.419 394 M HA 0.056 4.536 4.480 0.001 0.000 0.264 394 M C 1.829 178.177 176.300 0.080 0.000 1.082 394 M CA 0.356 55.730 55.300 0.123 0.000 1.119 394 M CB -0.555 32.087 32.600 0.069 0.000 1.398 394 M HN -0.120 nan 8.290 nan 0.000 0.453 395 V N 0.466 120.370 119.914 -0.018 0.000 2.358 395 V HA -0.237 3.883 4.120 0.001 0.000 0.246 395 V C 2.315 178.301 176.094 -0.180 0.000 1.047 395 V CA 1.461 63.645 62.300 -0.194 0.000 1.035 395 V CB -0.487 31.030 31.823 -0.510 0.000 0.658 395 V HN 0.341 nan 8.190 nan 0.000 0.452 396 I N -0.872 119.628 120.570 -0.118 0.000 2.315 396 I HA -0.227 3.943 4.170 0.001 0.000 0.248 396 I C 2.325 178.355 176.117 -0.146 0.000 1.117 396 I CA 1.602 62.827 61.300 -0.125 0.000 1.404 396 I CB -0.442 37.525 38.000 -0.055 0.000 1.071 396 I HN 0.316 nan 8.210 nan 0.000 0.419 397 F N 2.033 121.866 119.950 -0.194 0.000 2.091 397 F HA -0.287 4.240 4.527 0.001 0.000 0.299 397 F C 2.716 178.412 175.800 -0.174 0.000 1.103 397 F CA 1.854 59.723 58.000 -0.218 0.000 1.228 397 F CB -0.378 38.627 39.000 0.008 0.000 0.984 397 F HN -0.145 nan 8.300 nan 0.000 0.477 398 R N 0.151 120.789 120.500 0.229 0.000 2.096 398 R HA -0.177 4.163 4.340 0.001 0.000 0.235 398 R C 2.013 178.283 176.300 -0.051 0.000 1.127 398 R CA 1.661 57.834 56.100 0.122 0.000 0.968 398 R CB -0.330 29.995 30.300 0.042 0.000 0.861 398 R HN 0.300 nan 8.270 nan 0.000 0.440 399 N N -0.037 118.593 118.700 -0.117 0.000 2.084 399 N HA -0.132 4.608 4.740 0.001 0.000 0.190 399 N C 1.761 177.175 175.510 -0.161 0.000 1.030 399 N CA 1.353 54.322 53.050 -0.134 0.000 0.849 399 N CB -0.401 37.997 38.487 -0.148 0.000 1.012 399 N HN 0.023 nan 8.380 nan 0.000 0.423 400 V N 1.025 120.782 119.914 -0.262 0.000 2.407 400 V HA -0.142 3.978 4.120 0.001 0.000 0.248 400 V C 2.078 178.025 176.094 -0.246 0.000 1.055 400 V CA 1.608 63.728 62.300 -0.299 0.000 1.049 400 V CB -0.590 30.907 31.823 -0.542 0.000 0.662 400 V HN 0.320 nan 8.190 nan 0.000 0.455 401 V N -1.836 117.910 119.914 -0.280 0.000 3.596 401 V HA 0.239 4.359 4.120 0.001 0.000 0.289 401 V C 0.627 176.683 176.094 -0.063 0.000 1.336 401 V CA -0.157 62.035 62.300 -0.179 0.000 1.137 401 V CB -0.523 31.165 31.823 -0.224 0.000 0.966 401 V HN 0.480 nan 8.190 nan 0.000 0.428 402 D N 1.619 121.982 120.400 -0.061 0.000 2.520 402 D HA 0.370 5.010 4.640 0.001 0.000 0.243 402 D C 1.460 177.754 176.300 -0.010 0.000 1.160 402 D CA 2.099 56.085 54.000 -0.023 0.000 0.877 402 D CB 0.221 41.001 40.800 -0.032 0.000 1.150 402 D HN 0.609 nan 8.370 nan 0.000 0.494 403 G N 3.151 111.957 108.800 0.010 0.000 2.258 403 G HA2 -0.245 3.716 3.960 0.001 0.000 0.233 403 G HA3 -0.245 3.716 3.960 0.001 0.000 0.233 403 G C 0.196 175.112 174.900 0.027 0.000 1.006 403 G CA -0.069 45.039 45.100 0.014 0.000 0.620 403 G HN 0.585 nan 8.290 nan 0.000 0.511 404 Q N 1.848 121.667 119.800 0.032 0.000 2.327 404 Q HA 0.396 4.737 4.340 0.001 0.000 0.254 404 Q C -1.912 174.138 176.000 0.083 0.000 0.952 404 Q CA -1.201 54.632 55.803 0.050 0.000 0.884 404 Q CB 1.346 30.110 28.738 0.044 0.000 1.224 404 Q HN 0.445 nan 8.270 nan 0.000 0.422 405 P HA 0.095 nan 4.420 nan 0.000 0.274 405 P C -0.743 176.668 177.300 0.184 0.000 1.246 405 P CA -0.391 62.784 63.100 0.125 0.000 0.795 405 P CB 0.499 32.262 31.700 0.105 0.000 1.006 406 F N 2.162 122.133 119.950 0.035 0.000 2.421 406 F HA 0.366 4.893 4.527 0.001 0.000 0.358 406 F C 0.154 176.026 175.800 0.121 0.000 1.115 406 F CA 0.652 58.676 58.000 0.040 0.000 1.160 406 F CB 0.089 39.022 39.000 -0.112 0.000 1.123 406 F HN 0.402 nan 8.300 nan 0.000 0.508 407 T N 1.617 116.036 114.554 -0.224 0.000 2.754 407 T HA 0.313 4.664 4.350 0.001 0.000 0.296 407 T C -0.357 174.320 174.700 -0.039 0.000 1.205 407 T CA -1.181 60.859 62.100 -0.099 0.000 1.009 407 T CB 1.297 70.194 68.868 0.047 0.000 1.368 407 T HN 0.485 nan 8.240 nan 0.000 0.509 408 N N 0.667 119.423 118.700 0.092 0.000 2.714 408 N HA -0.132 4.608 4.740 0.001 0.000 0.252 408 N C -0.477 175.190 175.510 0.261 0.000 1.014 408 N CA 0.640 53.806 53.050 0.193 0.000 0.735 408 N CB -0.744 37.885 38.487 0.236 0.000 0.924 408 N HN 0.739 nan 8.380 nan 0.000 0.540 409 W N 1.047 122.369 121.300 0.037 0.000 2.190 409 W HA 0.340 5.000 4.660 0.001 0.000 0.330 409 W C -0.523 176.139 176.519 0.237 0.000 1.299 409 W CA -0.165 57.243 57.345 0.105 0.000 1.215 409 W CB 0.372 29.877 29.460 0.074 0.000 1.147 409 W HN 0.211 nan 8.180 nan 0.000 0.563 410 Y N 4.998 124.841 120.300 -0.762 0.000 2.504 410 Y HA 0.397 4.947 4.550 0.001 0.000 0.344 410 Y C -1.690 173.741 175.900 -0.781 0.000 1.023 410 Y CA -1.016 56.783 58.100 -0.501 0.000 1.020 410 Y CB 1.411 39.765 38.460 -0.178 0.000 1.282 410 Y HN 0.528 nan 8.280 nan 0.000 0.454 411 D N 1.967 121.464 120.400 -1.506 0.000 2.736 411 D HA 0.205 4.846 4.640 0.001 0.000 0.223 411 D C -1.127 174.614 176.300 -0.932 0.000 1.231 411 D CA -0.807 52.558 54.000 -1.058 0.000 0.818 411 D CB 1.038 41.676 40.800 -0.270 0.000 1.587 411 D HN 0.448 nan 8.370 nan 0.000 0.463 412 N N 1.277 119.678 118.700 -0.498 0.000 2.295 412 N HA 0.191 4.931 4.740 0.001 0.000 0.221 412 N C 1.350 176.861 175.510 0.002 0.000 1.129 412 N CA 0.214 53.205 53.050 -0.098 0.000 0.836 412 N CB 0.261 38.841 38.487 0.154 0.000 1.040 412 N HN 1.030 nan 8.380 nan 0.000 0.494 413 G N -1.407 107.365 108.800 -0.045 0.000 2.184 413 G HA2 -0.336 3.624 3.960 0.001 0.000 0.264 413 G HA3 -0.336 3.624 3.960 0.001 0.000 0.264 413 G C 0.424 175.312 174.900 -0.019 0.000 0.975 413 G CA 0.752 45.858 45.100 0.010 0.000 0.642 413 G HN 0.652 nan 8.290 nan 0.000 0.536 414 S N -0.753 114.925 115.700 -0.037 0.000 3.657 414 S HA 0.432 4.902 4.470 0.001 0.000 0.183 414 S C 0.899 175.392 174.600 -0.178 0.000 0.995 414 S CA 0.774 58.936 58.200 -0.064 0.000 1.333 414 S CB 0.179 63.434 63.200 0.092 0.000 1.197 414 S HN 0.301 nan 8.310 nan 0.000 0.856 415 N N 0.709 119.278 118.700 -0.219 0.000 2.351 415 N HA 0.350 5.091 4.740 0.001 0.000 0.254 415 N C -1.357 173.977 175.510 -0.294 0.000 1.241 415 N CA -0.088 52.797 53.050 -0.275 0.000 0.883 415 N CB 1.135 39.446 38.487 -0.293 0.000 1.202 415 N HN 0.289 nan 8.380 nan 0.000 0.512 416 Q N 1.456 121.091 119.800 -0.275 0.000 2.381 416 Q HA 0.454 4.794 4.340 0.001 0.000 0.263 416 Q C -0.836 174.941 176.000 -0.373 0.000 1.030 416 Q CA -0.727 54.880 55.803 -0.326 0.000 0.772 416 Q CB 2.134 30.723 28.738 -0.249 0.000 1.232 416 Q HN 0.120 nan 8.270 nan 0.000 0.476 417 V N -1.266 118.426 119.914 -0.370 0.000 3.126 417 V HA 1.058 5.178 4.120 0.001 0.000 0.314 417 V C -1.049 174.817 176.094 -0.380 0.000 1.138 417 V CA -0.907 61.092 62.300 -0.500 0.000 1.034 417 V CB 1.968 33.472 31.823 -0.531 0.000 1.075 417 V HN 0.714 nan 8.190 nan 0.000 0.442 418 A N 1.945 124.454 122.820 -0.518 0.000 2.589 418 A HA 0.993 5.313 4.320 0.001 0.000 0.296 418 A C -1.224 176.127 177.584 -0.388 0.000 1.062 418 A CA -0.290 51.444 52.037 -0.505 0.000 0.686 418 A CB 1.661 20.373 19.000 -0.479 0.000 1.282 418 A HN 2.349 nan 8.150 nan 0.000 0.404 419 F N -0.772 118.839 119.950 -0.565 0.000 2.693 419 F HA 0.861 5.388 4.527 0.001 0.000 0.309 419 F C -0.018 175.560 175.800 -0.369 0.000 1.129 419 F CA -0.391 57.426 58.000 -0.305 0.000 0.948 419 F CB 0.896 39.872 39.000 -0.040 0.000 1.315 419 F HN 1.052 nan 8.300 nan 0.000 0.447 420 G N 0.622 109.514 108.800 0.153 0.000 2.600 420 G HA2 0.671 4.631 3.960 0.001 0.000 0.303 420 G HA3 0.671 4.631 3.960 0.001 0.000 0.303 420 G C -1.493 173.575 174.900 0.279 0.000 1.253 420 G CA -1.280 43.984 45.100 0.274 0.000 0.974 420 G HN 0.577 nan 8.290 nan 0.000 0.483 421 R N 0.461 121.113 120.500 0.254 0.000 2.363 421 R HA 0.479 4.820 4.340 0.001 0.000 0.297 421 R C 0.910 177.283 176.300 0.121 0.000 1.208 421 R CA 0.024 56.250 56.100 0.209 0.000 1.121 421 R CB 0.283 30.718 30.300 0.224 0.000 1.124 421 R HN 1.254 nan 8.270 nan 0.000 0.561 422 G N 3.455 112.320 108.800 0.110 0.000 2.611 422 G HA2 -0.430 3.531 3.960 0.001 0.000 0.301 422 G HA3 -0.430 3.531 3.960 0.001 0.000 0.301 422 G C 0.279 175.219 174.900 0.067 0.000 1.233 422 G CA 0.659 45.804 45.100 0.075 0.000 0.993 422 G HN 0.651 nan 8.290 nan 0.000 0.553 423 N N 0.544 119.272 118.700 0.045 0.000 2.338 423 N HA 0.221 4.962 4.740 0.001 0.000 0.251 423 N C 1.247 176.778 175.510 0.036 0.000 1.199 423 N CA -0.042 53.031 53.050 0.038 0.000 0.879 423 N CB 0.549 39.057 38.487 0.034 0.000 1.159 423 N HN 0.535 nan 8.380 nan 0.000 0.514 424 R N -0.513 119.999 120.500 0.020 0.000 2.373 424 R HA 0.375 4.715 4.340 0.001 0.000 0.221 424 R C 0.302 176.572 176.300 -0.050 0.000 0.893 424 R CA 0.349 56.443 56.100 -0.010 0.000 1.049 424 R CB 1.243 31.507 30.300 -0.060 0.000 1.119 424 R HN 0.305 nan 8.270 nan 0.000 0.535 425 G N 0.510 109.299 108.800 -0.019 0.000 2.579 425 G HA2 0.471 4.432 3.960 0.001 0.000 0.292 425 G HA3 0.471 4.432 3.960 0.001 0.000 0.292 425 G C -2.113 172.940 174.900 0.255 0.000 1.484 425 G CA -0.476 44.624 45.100 0.000 0.000 0.813 425 G HN -0.010 nan 8.290 nan 0.000 0.515 426 F N 0.615 120.634 119.950 0.114 0.000 2.608 426 F HA 0.839 5.367 4.527 0.001 0.000 0.309 426 F C -1.047 174.691 175.800 -0.103 0.000 1.103 426 F CA -1.083 56.904 58.000 -0.021 0.000 0.954 426 F CB 2.120 41.074 39.000 -0.078 0.000 1.267 426 F HN 0.522 nan 8.300 nan 0.000 0.444 427 I N 5.282 125.250 120.570 -1.003 0.000 2.656 427 I HA 0.688 4.858 4.170 0.001 0.000 0.292 427 I C -1.858 173.506 176.117 -1.256 0.000 1.144 427 I CA -0.716 59.998 61.300 -0.978 0.000 1.038 427 I CB 1.974 39.393 38.000 -0.968 0.000 1.244 427 I HN 0.370 nan 8.210 nan 0.000 0.420 428 V N 6.881 126.167 119.914 -1.046 0.000 2.656 428 V HA 0.557 4.678 4.120 0.001 0.000 0.307 428 V C -1.030 174.583 176.094 -0.801 0.000 1.051 428 V CA -0.525 61.244 62.300 -0.885 0.000 0.893 428 V CB 1.855 33.193 31.823 -0.808 0.000 0.999 428 V HN 0.474 nan 8.190 nan 0.000 0.426 429 F N 2.269 121.985 119.950 -0.390 0.000 2.532 429 F HA 0.594 5.122 4.527 0.001 0.000 0.321 429 F C 0.091 175.671 175.800 -0.367 0.000 1.089 429 F CA -0.684 57.156 58.000 -0.266 0.000 0.926 429 F CB 1.951 40.811 39.000 -0.232 0.000 1.168 429 F HN 0.464 nan 8.300 nan 0.000 0.459 430 N N 1.769 120.425 118.700 -0.073 0.000 2.573 430 N HA 0.206 4.946 4.740 0.001 0.000 0.262 430 N C -0.922 174.503 175.510 -0.142 0.000 1.029 430 N CA -0.270 52.678 53.050 -0.170 0.000 0.882 430 N CB 0.610 39.038 38.487 -0.099 0.000 1.204 430 N HN 0.575 nan 8.380 nan 0.000 0.519 431 N N 2.024 120.594 118.700 -0.216 0.000 2.282 431 N HA 0.178 4.919 4.740 0.001 0.000 0.240 431 N C -1.007 174.330 175.510 -0.287 0.000 1.182 431 N CA -0.182 52.741 53.050 -0.212 0.000 0.874 431 N CB 0.371 38.727 38.487 -0.218 0.000 1.126 431 N HN 0.498 nan 8.380 nan 0.000 0.516 432 D N -0.559 119.576 120.400 -0.443 0.000 2.432 432 D HA 0.144 4.785 4.640 0.001 0.000 0.258 432 D C -0.034 175.959 176.300 -0.511 0.000 1.146 432 D CA -0.144 53.436 54.000 -0.701 0.000 1.015 432 D CB 0.889 40.767 40.800 -1.537 0.000 1.107 432 D HN 0.099 nan 8.370 nan 0.000 0.529 433 D N 0.326 120.502 120.400 -0.373 0.000 2.325 433 D HA 0.103 4.743 4.640 0.001 0.000 0.234 433 D C 0.045 176.465 176.300 0.201 0.000 1.122 433 D CA 0.078 54.077 54.000 -0.001 0.000 0.850 433 D CB 0.125 41.016 40.800 0.153 0.000 0.921 433 D HN 0.325 nan 8.370 nan 0.000 0.513 434 W N -0.899 120.433 121.300 0.053 0.000 3.047 434 W HA 0.542 5.202 4.660 0.000 0.000 0.341 434 W C -0.466 176.108 176.519 0.091 0.000 1.225 434 W CA -1.019 56.364 57.345 0.064 0.000 1.150 434 W CB 0.088 29.585 29.460 0.061 0.000 1.470 434 W HN -0.440 nan 8.180 nan 0.000 0.578 435 S N 1.191 117.102 115.700 0.351 0.000 2.593 435 S HA 0.444 4.914 4.470 0.001 0.000 0.269 435 S C -1.205 173.596 174.600 0.336 0.000 1.334 435 S CA -0.338 58.012 58.200 0.249 0.000 1.015 435 S CB 0.406 63.720 63.200 0.190 0.000 0.912 435 S HN 0.401 nan 8.310 nan 0.000 0.541 436 F N 1.826 121.834 119.950 0.098 0.000 2.467 436 F HA 0.607 5.134 4.527 0.001 0.000 0.336 436 F C -0.145 175.698 175.800 0.071 0.000 1.123 436 F CA -0.520 57.538 58.000 0.096 0.000 0.964 436 F CB 1.516 40.535 39.000 0.031 0.000 1.136 436 F HN 0.419 nan 8.300 nan 0.000 0.447 437 S N 7.749 123.015 115.700 -0.724 0.000 2.387 437 S HA 0.651 5.121 4.470 0.001 0.000 0.211 437 S C -2.169 172.081 174.600 -0.583 0.000 1.055 437 S CA -0.438 57.396 58.200 -0.611 0.000 1.133 437 S CB 0.203 63.327 63.200 -0.127 0.000 1.235 437 S HN 0.836 nan 8.310 nan 0.000 0.425 438 L N 3.131 123.823 121.223 -0.884 0.000 2.469 438 L HA 0.711 5.052 4.340 0.001 0.000 0.256 438 L C -0.591 176.169 176.870 -0.183 0.000 1.006 438 L CA -0.025 54.582 54.840 -0.388 0.000 0.832 438 L CB 2.272 44.119 42.059 -0.353 0.000 1.421 438 L HN 0.450 nan 8.230 nan 0.000 0.410 439 T N 3.845 118.417 114.554 0.030 0.000 2.743 439 T HA 0.668 5.019 4.350 0.001 0.000 0.293 439 T C -0.609 174.111 174.700 0.034 0.000 0.945 439 T CA -0.045 62.113 62.100 0.097 0.000 1.030 439 T CB 0.274 69.201 68.868 0.097 0.000 0.912 439 T HN 0.276 nan 8.240 nan 0.000 0.483 440 L N 2.815 124.098 121.223 0.100 0.000 2.319 440 L HA 0.570 4.910 4.340 0.001 0.000 0.267 440 L C 0.048 176.886 176.870 -0.054 0.000 1.011 440 L CA -1.005 53.848 54.840 0.022 0.000 0.818 440 L CB 1.602 43.715 42.059 0.089 0.000 1.316 440 L HN 0.412 nan 8.230 nan 0.000 0.432 441 Q N -0.174 119.575 119.800 -0.085 0.000 2.295 441 Q HA 0.287 4.627 4.340 0.001 0.000 0.259 441 Q C 0.616 176.400 176.000 -0.361 0.000 0.976 441 Q CA 0.551 56.272 55.803 -0.138 0.000 0.923 441 Q CB 1.202 29.916 28.738 -0.039 0.000 1.185 441 Q HN 0.763 nan 8.270 nan 0.000 0.410 442 T N 0.161 114.408 114.554 -0.512 0.000 3.023 442 T HA 0.282 4.632 4.350 0.001 0.000 0.249 442 T C 1.264 175.765 174.700 -0.332 0.000 1.050 442 T CA 0.476 62.035 62.100 -0.902 0.000 1.088 442 T CB -0.037 68.303 68.868 -0.881 0.000 0.946 442 T HN 1.014 nan 8.240 nan 0.000 0.480 443 G N 1.344 110.039 108.800 -0.174 0.000 2.179 443 G HA2 -0.167 3.793 3.960 0.001 0.000 0.260 443 G HA3 -0.167 3.793 3.960 0.001 0.000 0.260 443 G C -0.080 174.791 174.900 -0.048 0.000 0.977 443 G CA 0.231 45.295 45.100 -0.059 0.000 0.641 443 G HN 0.544 nan 8.290 nan 0.000 0.533 444 L N 1.455 122.616 121.223 -0.103 0.000 2.399 444 L HA 0.518 4.858 4.340 0.001 0.000 0.265 444 L C -1.342 175.534 176.870 0.009 0.000 1.089 444 L CA -1.739 53.065 54.840 -0.060 0.000 0.802 444 L CB 0.614 42.543 42.059 -0.217 0.000 1.180 444 L HN 0.006 nan 8.230 nan 0.000 0.454 445 P HA 0.148 nan 4.420 nan 0.000 0.274 445 P C -0.721 176.674 177.300 0.159 0.000 1.231 445 P CA -0.502 62.661 63.100 0.104 0.000 0.790 445 P CB 0.814 32.573 31.700 0.099 0.000 0.951 446 A N 1.478 124.356 122.820 0.097 0.000 2.555 446 A HA 0.479 4.800 4.320 0.001 0.000 0.233 446 A C 0.857 178.510 177.584 0.116 0.000 1.060 446 A CA 1.162 53.259 52.037 0.101 0.000 0.759 446 A CB -1.129 17.901 19.000 0.050 0.000 0.995 446 A HN 0.938 nan 8.150 nan 0.000 0.506 447 G N -0.195 108.688 108.800 0.139 0.000 2.369 447 G HA2 0.435 4.396 3.960 0.001 0.000 0.293 447 G HA3 0.435 4.396 3.960 0.001 0.000 0.293 447 G C -0.743 174.208 174.900 0.085 0.000 1.301 447 G CA -0.216 44.908 45.100 0.040 0.000 0.913 447 G HN 1.014 nan 8.290 nan 0.000 0.540 448 T N 1.065 115.576 114.554 -0.071 0.000 2.758 448 T HA 0.638 4.988 4.350 0.001 0.000 0.285 448 T C -1.122 173.427 174.700 -0.251 0.000 0.981 448 T CA 0.102 62.149 62.100 -0.089 0.000 0.965 448 T CB 0.652 69.493 68.868 -0.044 0.000 0.927 448 T HN 0.383 nan 8.240 nan 0.000 0.448 449 Y N 0.604 120.770 120.300 -0.223 0.000 2.446 449 Y HA 0.450 5.000 4.550 0.001 0.000 0.338 449 Y C 0.451 176.226 175.900 -0.209 0.000 1.055 449 Y CA -1.234 56.756 58.100 -0.183 0.000 1.101 449 Y CB 1.023 39.398 38.460 -0.141 0.000 1.221 449 Y HN 0.561 nan 8.280 nan 0.000 0.460 450 c N 2.281 120.860 118.600 -0.035 0.000 2.369 450 c HA 0.192 4.762 4.570 0.001 0.000 0.358 450 c C 0.212 174.264 174.090 -0.063 0.000 1.274 450 c CA -0.783 55.501 56.329 -0.075 0.000 1.935 450 c CB -0.340 42.121 42.510 -0.081 0.000 2.431 450 c HN 0.756 nan 8.230 nan 0.000 0.545 451 D N 1.820 122.177 120.400 -0.071 0.000 2.358 451 D HA 0.123 4.763 4.640 0.001 0.000 0.258 451 D C 1.021 177.272 176.300 -0.082 0.000 1.223 451 D CA -0.243 53.713 54.000 -0.074 0.000 0.886 451 D CB 0.998 41.747 40.800 -0.085 0.000 1.120 451 D HN 0.441 nan 8.370 nan 0.000 0.482 452 V N 2.581 122.451 119.914 -0.074 0.000 3.573 452 V HA 0.009 4.129 4.120 0.001 0.000 0.270 452 V C 1.497 177.555 176.094 -0.060 0.000 1.221 452 V CA 0.312 62.592 62.300 -0.034 0.000 1.163 452 V CB -0.628 31.227 31.823 0.053 0.000 0.847 452 V HN 0.511 nan 8.190 nan 0.000 0.468 453 I N 2.038 122.506 120.570 -0.171 0.000 2.556 453 I HA 0.004 4.174 4.170 0.001 0.000 0.251 453 I C 2.619 178.635 176.117 -0.169 0.000 1.105 453 I CA 1.860 63.001 61.300 -0.265 0.000 1.436 453 I CB -0.974 36.613 38.000 -0.689 0.000 1.139 453 I HN 0.574 nan 8.210 nan 0.000 0.438 454 S N -0.171 115.435 115.700 -0.157 0.000 2.562 454 S HA 0.343 4.814 4.470 0.001 0.000 0.221 454 S C 0.942 175.509 174.600 -0.055 0.000 0.975 454 S CA 0.335 58.478 58.200 -0.095 0.000 0.918 454 S CB 0.026 63.172 63.200 -0.089 0.000 0.772 454 S HN 0.462 nan 8.310 nan 0.000 0.531 455 G N -0.295 108.476 108.800 -0.049 0.000 2.500 455 G HA2 0.503 4.463 3.960 0.001 0.000 0.299 455 G HA3 0.503 4.463 3.960 0.001 0.000 0.299 455 G C -2.311 172.582 174.900 -0.012 0.000 1.242 455 G CA -0.603 44.482 45.100 -0.025 0.000 0.859 455 G HN 0.197 nan 8.290 nan 0.000 0.481 456 D N -0.628 119.768 120.400 -0.007 0.000 2.592 456 D HA 0.374 5.015 4.640 0.001 0.000 0.263 456 D C -1.023 175.269 176.300 -0.013 0.000 1.132 456 D CA -0.568 53.434 54.000 0.003 0.000 0.996 456 D CB 2.694 43.508 40.800 0.023 0.000 1.442 456 D HN 0.383 nan 8.370 nan 0.000 0.486 457 K N 1.677 122.071 120.400 -0.011 0.000 2.347 457 K HA 0.477 4.798 4.320 0.001 0.000 0.262 457 K C -1.102 175.492 176.600 -0.010 0.000 1.052 457 K CA -0.314 55.959 56.287 -0.024 0.000 0.946 457 K CB 0.116 32.595 32.500 -0.036 0.000 1.220 457 K HN 0.339 nan 8.250 nan 0.000 0.450 458 I N 4.672 125.236 120.570 -0.011 0.000 2.465 458 I HA 0.132 4.302 4.170 0.001 0.000 0.291 458 I C -0.089 176.023 176.117 -0.008 0.000 1.014 458 I CA -1.056 60.242 61.300 -0.003 0.000 1.093 458 I CB 1.684 39.686 38.000 0.004 0.000 1.267 458 I HN 0.802 nan 8.210 nan 0.000 0.431 459 N N 4.751 123.447 118.700 -0.007 0.000 2.696 459 N HA -0.258 4.482 4.740 0.001 0.000 0.271 459 N C 0.630 176.131 175.510 -0.014 0.000 0.997 459 N CA 0.953 53.998 53.050 -0.009 0.000 0.801 459 N CB -1.351 37.133 38.487 -0.004 0.000 0.913 459 N HN 1.213 nan 8.380 nan 0.000 0.557 460 G N -0.685 108.102 108.800 -0.021 0.000 2.168 460 G HA2 -0.324 3.637 3.960 0.001 0.000 0.263 460 G HA3 -0.324 3.637 3.960 0.001 0.000 0.263 460 G C -0.162 174.720 174.900 -0.029 0.000 0.977 460 G CA 0.630 45.713 45.100 -0.028 0.000 0.659 460 G HN 0.834 nan 8.290 nan 0.000 0.533 461 N N -1.268 117.416 118.700 -0.027 0.000 2.416 461 N HA 0.522 5.262 4.740 0.001 0.000 0.276 461 N C -0.621 174.870 175.510 -0.032 0.000 1.261 461 N CA -0.013 53.020 53.050 -0.028 0.000 0.790 461 N CB 1.639 40.116 38.487 -0.017 0.000 1.554 461 N HN 0.135 nan 8.380 nan 0.000 0.481 462 c N 0.347 118.924 118.600 -0.038 0.000 2.365 462 c HA 0.423 4.994 4.570 0.001 0.000 0.351 462 c C 2.066 176.138 174.090 -0.029 0.000 1.240 462 c CA -0.475 55.828 56.329 -0.043 0.000 2.062 462 c CB 0.609 43.081 42.510 -0.064 0.000 2.387 462 c HN 0.859 nan 8.230 nan 0.000 0.537 463 T N -0.729 113.811 114.554 -0.024 0.000 3.057 463 T HA 0.275 4.625 4.350 0.001 0.000 0.254 463 T C 0.873 175.561 174.700 -0.021 0.000 1.094 463 T CA 0.726 62.816 62.100 -0.016 0.000 1.088 463 T CB 0.131 68.994 68.868 -0.008 0.000 0.934 463 T HN 0.841 nan 8.240 nan 0.000 0.497 464 G N 0.986 109.767 108.800 -0.031 0.000 3.286 464 G HA2 0.651 4.611 3.960 0.001 0.000 0.166 464 G HA3 0.651 4.611 3.960 0.001 0.000 0.166 464 G C -0.595 174.278 174.900 -0.045 0.000 1.155 464 G CA -1.209 43.870 45.100 -0.036 0.000 0.871 464 G HN 0.410 nan 8.290 nan 0.000 0.637 465 I N 1.051 121.589 120.570 -0.054 0.000 2.692 465 I HA 0.174 4.344 4.170 0.001 0.000 0.284 465 I C -0.031 176.025 176.117 -0.102 0.000 1.159 465 I CA 0.494 61.756 61.300 -0.064 0.000 1.423 465 I CB 0.808 38.774 38.000 -0.057 0.000 1.380 465 I HN 0.181 nan 8.210 nan 0.000 0.580 466 K N 6.249 126.560 120.400 -0.147 0.000 2.270 466 K HA 0.626 4.946 4.320 0.001 0.000 0.255 466 K C -1.117 175.226 176.600 -0.429 0.000 0.936 466 K CA -0.762 55.356 56.287 -0.281 0.000 0.809 466 K CB 2.302 34.605 32.500 -0.328 0.000 1.131 466 K HN 0.313 nan 8.250 nan 0.000 0.427 467 I N 2.767 123.064 120.570 -0.454 0.000 2.530 467 I HA 0.302 4.473 4.170 0.001 0.000 0.297 467 I C -0.855 174.946 176.117 -0.525 0.000 1.011 467 I CA -0.904 60.118 61.300 -0.462 0.000 1.107 467 I CB 1.235 39.032 38.000 -0.339 0.000 1.285 467 I HN 0.546 nan 8.210 nan 0.000 0.436 468 Y N 4.263 124.501 120.300 -0.104 0.000 2.345 468 Y HA 0.443 4.994 4.550 0.001 0.000 0.331 468 Y C 0.142 176.003 175.900 -0.065 0.000 0.959 468 Y CA -0.866 57.210 58.100 -0.041 0.000 1.204 468 Y CB 1.669 40.097 38.460 -0.053 0.000 1.135 468 Y HN 0.144 nan 8.280 nan 0.000 0.477 469 V N 4.063 124.055 119.914 0.131 0.000 2.407 469 V HA 0.337 4.457 4.120 0.001 0.000 0.278 469 V C 0.244 176.377 176.094 0.066 0.000 1.037 469 V CA -0.774 61.554 62.300 0.046 0.000 0.900 469 V CB 1.134 32.981 31.823 0.041 0.000 0.983 469 V HN 0.901 nan 8.190 nan 0.000 0.459 470 S N 2.797 118.508 115.700 0.019 0.000 2.634 470 S HA 0.183 4.654 4.470 0.001 0.000 0.261 470 S C 0.818 175.424 174.600 0.010 0.000 1.271 470 S CA -0.526 57.681 58.200 0.012 0.000 0.985 470 S CB 0.760 63.956 63.200 -0.007 0.000 0.968 470 S HN 0.668 nan 8.310 nan 0.000 0.568 471 D N 1.273 121.677 120.400 0.005 0.000 2.182 471 D HA -0.118 4.523 4.640 0.001 0.000 0.201 471 D C 1.127 177.427 176.300 0.000 0.000 0.986 471 D CA 1.793 55.797 54.000 0.005 0.000 0.847 471 D CB -0.572 40.229 40.800 0.001 0.000 0.942 471 D HN 0.876 nan 8.370 nan 0.000 0.467 472 D N -1.369 119.027 120.400 -0.007 0.000 2.328 472 D HA 0.181 4.821 4.640 0.001 0.000 0.226 472 D C 1.450 177.736 176.300 -0.023 0.000 1.066 472 D CA 0.655 54.649 54.000 -0.010 0.000 0.861 472 D CB -0.044 40.750 40.800 -0.010 0.000 0.912 472 D HN 0.183 nan 8.370 nan 0.000 0.521 473 G N -0.159 108.623 108.800 -0.030 0.000 2.176 473 G HA2 -0.325 3.635 3.960 0.001 0.000 0.253 473 G HA3 -0.325 3.635 3.960 0.001 0.000 0.253 473 G C 0.194 175.032 174.900 -0.104 0.000 0.979 473 G CA 0.105 45.166 45.100 -0.065 0.000 0.641 473 G HN 0.456 nan 8.290 nan 0.000 0.530 474 K N 0.579 120.938 120.400 -0.070 0.000 2.185 474 K HA 0.698 5.019 4.320 0.001 0.000 0.271 474 K C 0.235 176.792 176.600 -0.071 0.000 1.013 474 K CA 0.372 56.618 56.287 -0.068 0.000 0.943 474 K CB 1.493 33.973 32.500 -0.033 0.000 0.998 474 K HN 0.760 nan 8.250 nan 0.000 0.468 475 A N 1.775 124.553 122.820 -0.070 0.000 2.549 475 A HA 0.312 4.632 4.320 0.001 0.000 0.297 475 A C -1.823 175.677 177.584 -0.141 0.000 1.061 475 A CA -0.714 51.233 52.037 -0.151 0.000 0.690 475 A CB 0.998 19.803 19.000 -0.325 0.000 1.287 475 A HN 0.828 nan 8.150 nan 0.000 0.402 476 H N 0.358 119.255 119.070 -0.288 0.000 2.502 476 H HA 0.703 5.259 4.556 0.001 0.000 0.327 476 H C -1.578 173.508 175.328 -0.403 0.000 1.099 476 H CA -0.131 55.793 56.048 -0.207 0.000 1.323 476 H CB 0.426 30.111 29.762 -0.127 0.000 1.450 476 H HN 0.411 nan 8.280 nan 0.000 0.502 477 F N 2.225 121.825 119.950 -0.583 0.000 2.529 477 F HA 0.350 4.878 4.527 0.001 0.000 0.320 477 F C -0.170 175.322 175.800 -0.514 0.000 1.118 477 F CA -0.700 57.113 58.000 -0.312 0.000 0.915 477 F CB 2.154 41.197 39.000 0.071 0.000 1.161 477 F HN 0.442 nan 8.300 nan 0.000 0.445 478 S N 4.771 120.440 115.700 -0.052 0.000 2.756 478 S HA 0.770 5.241 4.470 0.001 0.000 0.303 478 S C -1.129 173.539 174.600 0.114 0.000 1.135 478 S CA -0.363 57.817 58.200 -0.033 0.000 1.066 478 S CB 0.170 63.378 63.200 0.013 0.000 1.008 478 S HN 0.521 nan 8.310 nan 0.000 0.482 479 I N 3.658 124.346 120.570 0.197 0.000 2.468 479 I HA 0.319 4.490 4.170 0.001 0.000 0.284 479 I C 0.140 176.348 176.117 0.151 0.000 1.038 479 I CA -0.577 60.833 61.300 0.183 0.000 1.083 479 I CB 1.997 40.126 38.000 0.214 0.000 1.223 479 I HN 0.549 nan 8.210 nan 0.000 0.443 480 S N 4.469 120.230 115.700 0.101 0.000 2.565 480 S HA 0.113 4.583 4.470 0.001 0.000 0.274 480 S C 1.385 176.025 174.600 0.068 0.000 1.309 480 S CA -0.638 57.615 58.200 0.088 0.000 1.043 480 S CB 0.583 63.826 63.200 0.071 0.000 0.939 480 S HN 0.761 nan 8.310 nan 0.000 0.504 481 N N 3.145 121.880 118.700 0.059 0.000 2.609 481 N HA -0.058 4.682 4.740 0.001 0.000 0.190 481 N C 0.585 176.116 175.510 0.035 0.000 1.157 481 N CA 0.498 53.563 53.050 0.026 0.000 0.918 481 N CB -0.174 38.320 38.487 0.012 0.000 0.978 481 N HN 0.403 nan 8.380 nan 0.000 0.448 482 S N -0.408 115.319 115.700 0.046 0.000 2.540 482 S HA 0.329 4.799 4.470 0.001 0.000 0.218 482 S C 0.934 175.557 174.600 0.038 0.000 0.977 482 S CA -0.343 57.882 58.200 0.041 0.000 0.918 482 S CB 0.303 63.528 63.200 0.043 0.000 0.806 482 S HN 0.612 nan 8.310 nan 0.000 0.496 483 A N 1.741 124.586 122.820 0.042 0.000 2.483 483 A HA 0.269 4.590 4.320 0.001 0.000 0.238 483 A C 1.407 179.015 177.584 0.041 0.000 1.070 483 A CA -0.159 51.901 52.037 0.038 0.000 0.770 483 A CB 0.143 19.168 19.000 0.041 0.000 1.008 483 A HN 0.216 nan 8.150 nan 0.000 0.497 484 E N 0.901 121.120 120.200 0.031 0.000 2.038 484 E HA -0.140 4.211 4.350 0.001 0.000 0.195 484 E C -0.254 176.386 176.600 0.068 0.000 1.000 484 E CA 1.922 58.342 56.400 0.034 0.000 0.803 484 E CB 0.087 29.795 29.700 0.014 0.000 0.750 484 E HN 0.666 nan 8.360 nan 0.000 0.448 485 D N 0.574 121.017 120.400 0.071 0.000 2.461 485 D HA 0.127 4.768 4.640 0.001 0.000 0.240 485 D C -2.138 174.260 176.300 0.164 0.000 1.094 485 D CA -1.480 52.616 54.000 0.160 0.000 0.868 485 D CB 1.514 42.361 40.800 0.079 0.000 1.062 485 D HN 0.186 nan 8.370 nan 0.000 0.530 486 P HA 0.025 nan 4.420 nan 0.000 0.271 486 P C -0.643 176.805 177.300 0.246 0.000 1.535 486 P CA -0.002 63.202 63.100 0.173 0.000 0.820 486 P CB -0.684 31.078 31.700 0.103 0.000 1.606 487 F N -1.464 118.429 119.950 -0.095 0.000 2.631 487 F HA 0.664 5.192 4.527 0.001 0.000 0.308 487 F C -1.545 174.110 175.800 -0.242 0.000 1.097 487 F CA -2.495 55.353 58.000 -0.253 0.000 0.952 487 F CB 0.737 39.508 39.000 -0.382 0.000 1.307 487 F HN -0.331 nan 8.300 nan 0.000 0.450 488 I N 2.387 122.715 120.570 -0.403 0.000 2.498 488 I HA 0.780 4.950 4.170 0.001 0.000 0.290 488 I C -0.804 175.106 176.117 -0.344 0.000 1.032 488 I CA -1.166 59.929 61.300 -0.342 0.000 1.073 488 I CB 2.015 39.991 38.000 -0.040 0.000 1.251 488 I HN 1.011 nan 8.210 nan 0.000 0.426 489 A N 7.641 130.304 122.820 -0.261 0.000 2.374 489 A HA 0.907 5.227 4.320 0.001 0.000 0.305 489 A C -0.861 176.761 177.584 0.064 0.000 1.053 489 A CA -0.488 51.471 52.037 -0.130 0.000 0.726 489 A CB 1.302 20.172 19.000 -0.216 0.000 1.229 489 A HN 0.731 nan 8.150 nan 0.000 0.431 490 I N 0.191 120.869 120.570 0.179 0.000 2.730 490 I HA 0.924 5.094 4.170 0.001 0.000 0.298 490 I C -0.675 175.525 176.117 0.138 0.000 1.089 490 I CA -0.885 60.468 61.300 0.088 0.000 1.041 490 I CB 2.355 40.361 38.000 0.010 0.000 1.235 490 I HN 0.920 nan 8.210 nan 0.000 0.423 491 H N 3.147 122.304 119.070 0.146 0.000 2.966 491 H HA 0.751 5.307 4.556 0.001 0.000 0.330 491 H C 0.499 175.927 175.328 0.166 0.000 1.292 491 H CA -0.418 55.639 56.048 0.014 0.000 1.127 491 H CB 1.126 30.722 29.762 -0.276 0.000 1.863 491 H HN 0.656 nan 8.280 nan 0.000 0.543 492 A N 0.076 123.090 122.820 0.323 0.000 1.997 492 A HA -0.210 4.111 4.320 0.001 0.000 0.221 492 A C 1.550 179.254 177.584 0.199 0.000 1.172 492 A CA 2.030 54.216 52.037 0.248 0.000 0.645 492 A CB -0.681 18.389 19.000 0.118 0.000 0.813 492 A HN 0.711 nan 8.150 nan 0.000 0.454 493 E N -0.249 120.182 120.200 0.386 0.000 2.489 493 E HA 0.006 4.357 4.350 0.001 0.000 0.193 493 E C 1.443 178.095 176.600 0.087 0.000 1.057 493 E CA 0.828 57.365 56.400 0.228 0.000 0.866 493 E CB 0.005 29.851 29.700 0.243 0.000 0.916 493 E HN 0.737 nan 8.360 nan 0.000 0.500 494 S N -0.355 115.277 115.700 -0.113 0.000 2.554 494 S HA 0.143 4.613 4.470 0.001 0.000 0.226 494 S C 0.698 175.200 174.600 -0.163 0.000 0.980 494 S CA -0.458 57.627 58.200 -0.192 0.000 0.939 494 S CB 0.257 63.225 63.200 -0.387 0.000 0.832 494 S HN -0.039 nan 8.310 nan 0.000 0.486 495 K N 1.457 121.711 120.400 -0.244 0.000 2.249 495 K HA 0.371 4.691 4.320 0.001 0.000 0.280 495 K C -0.420 175.990 176.600 -0.317 0.000 1.033 495 K CA -0.671 55.284 56.287 -0.553 0.000 0.946 495 K CB 0.466 32.471 32.500 -0.824 0.000 1.005 495 K HN 0.142 nan 8.250 nan 0.000 0.469 496 L N 0.000 121.047 121.223 -0.293 0.000 2.949 496 L HA 0.000 4.340 4.340 0.001 0.000 0.249 496 L CA 0.000 54.738 54.840 -0.170 0.000 0.813 496 L CB 0.000 41.983 42.059 -0.128 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502