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 2cpu_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 ALVFVDNHNN 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 0.000 175.947 175.900 0.079 0.000 1.272 2 Y CA 0.000 58.189 58.100 0.148 0.000 1.940 2 Y CB 0.000 38.482 38.460 0.036 0.000 1.050 3 S N 3.974 119.737 115.700 0.105 0.000 2.513 3 S HA 0.239 4.709 4.470 -0.000 0.000 0.276 3 S C -1.818 172.494 174.600 -0.480 0.000 1.254 3 S CA -0.903 57.197 58.200 -0.168 0.000 1.053 3 S CB 1.313 64.468 63.200 -0.074 0.000 0.958 3 S HN -0.010 nan 8.310 nan 0.000 0.491 4 P HA -0.004 nan 4.420 nan 0.000 0.223 4 P C 0.044 177.097 177.300 -0.413 0.000 1.151 4 P CA 0.540 62.756 63.100 -1.474 0.000 0.787 4 P CB -0.006 30.678 31.700 -1.692 0.000 0.788 5 N N -2.453 116.119 118.700 -0.213 0.000 2.850 5 N HA -0.102 4.637 4.740 -0.000 0.000 0.249 5 N C -0.083 175.493 175.510 0.109 0.000 1.060 5 N CA 1.467 54.526 53.050 0.014 0.000 0.825 5 N CB -2.403 36.099 38.487 0.025 0.000 1.132 5 N HN 0.344 nan 8.380 nan 0.000 0.564 6 T N -2.251 112.324 114.554 0.034 0.000 2.828 6 T HA 0.255 4.605 4.350 -0.000 0.000 0.290 6 T C 0.557 175.290 174.700 0.055 0.000 1.019 6 T CA -0.468 61.685 62.100 0.089 0.000 1.031 6 T CB 1.831 70.767 68.868 0.113 0.000 1.001 6 T HN 0.234 nan 8.240 nan 0.000 0.531 7 Q N 0.940 120.764 119.800 0.040 0.000 2.364 7 Q HA 0.050 4.390 4.340 -0.000 0.000 0.267 7 Q C 0.045 176.051 176.000 0.011 0.000 0.999 7 Q CA -0.430 55.381 55.803 0.013 0.000 0.886 7 Q CB 0.453 29.188 28.738 -0.005 0.000 1.243 7 Q HN 0.559 nan 8.270 nan 0.000 0.415 8 Q N 2.013 121.815 119.800 0.003 0.000 2.269 8 Q HA 0.011 4.351 4.340 -0.000 0.000 0.300 8 Q C 0.641 176.636 176.000 -0.010 0.000 1.070 8 Q CA 1.173 56.975 55.803 -0.002 0.000 0.957 8 Q CB 0.328 29.063 28.738 -0.005 0.000 1.131 8 Q HN 1.077 nan 8.270 nan 0.000 0.377 9 G N 3.191 111.982 108.800 -0.014 0.000 2.176 9 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.232 9 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.232 9 G C 0.050 174.926 174.900 -0.040 0.000 0.986 9 G CA -0.248 44.834 45.100 -0.031 0.000 0.643 9 G HN 0.513 nan 8.290 nan 0.000 0.522 10 R N 0.644 121.133 120.500 -0.018 0.000 2.343 10 R HA 0.553 4.893 4.340 -0.000 0.000 0.320 10 R C 1.034 177.336 176.300 0.004 0.000 0.956 10 R CA 0.249 56.334 56.100 -0.025 0.000 0.836 10 R CB 1.064 31.369 30.300 0.009 0.000 1.151 10 R HN 0.287 nan 8.270 nan 0.000 0.450 11 T N -2.620 111.886 114.554 -0.079 0.000 3.040 11 T HA 0.238 4.588 4.350 -0.000 0.000 0.266 11 T C 0.432 174.854 174.700 -0.465 0.000 1.005 11 T CA -0.217 61.810 62.100 -0.122 0.000 0.906 11 T CB 0.471 69.258 68.868 -0.135 0.000 1.082 11 T HN 0.257 nan 8.240 nan 0.000 0.531 12 S N 1.133 116.609 115.700 -0.373 0.000 2.595 12 S HA 0.796 5.266 4.470 -0.000 0.000 0.281 12 S C -0.782 173.730 174.600 -0.146 0.000 1.117 12 S CA -1.070 56.833 58.200 -0.495 0.000 0.873 12 S CB 1.775 64.770 63.200 -0.342 0.000 1.108 12 S HN 0.578 nan 8.310 nan 0.000 0.477 13 I N -1.043 119.469 120.570 -0.096 0.000 2.846 13 I HA 0.933 5.103 4.170 -0.000 0.000 0.307 13 I C -0.906 175.280 176.117 0.115 0.000 1.053 13 I CA -1.085 60.286 61.300 0.118 0.000 1.050 13 I CB 1.742 39.827 38.000 0.142 0.000 1.239 13 I HN 0.419 nan 8.210 nan 0.000 0.439 14 V N 2.789 122.779 119.914 0.127 0.000 2.604 14 V HA 0.415 4.535 4.120 -0.000 0.000 0.305 14 V C -1.085 175.027 176.094 0.030 0.000 1.043 14 V CA -0.387 61.938 62.300 0.041 0.000 0.888 14 V CB 1.597 33.344 31.823 -0.126 0.000 0.995 14 V HN 0.876 nan 8.190 nan 0.000 0.429 15 H N 6.778 125.803 119.070 -0.075 0.000 2.911 15 H HA 0.393 4.948 4.556 -0.000 0.000 0.273 15 H C -0.317 174.931 175.328 -0.132 0.000 1.157 15 H CA -0.472 55.552 56.048 -0.041 0.000 1.402 15 H CB 0.355 30.121 29.762 0.007 0.000 1.463 15 H HN 0.607 nan 8.280 nan 0.000 0.475 16 L N 7.030 128.141 121.223 -0.187 0.000 2.423 16 L HA 0.082 4.422 4.340 -0.000 0.000 0.249 16 L C 0.122 176.843 176.870 -0.249 0.000 1.276 16 L CA -0.602 53.836 54.840 -0.669 0.000 1.199 16 L CB -0.735 40.635 42.059 -1.148 0.000 1.407 16 L HN 0.452 nan 8.230 nan 0.000 0.410 17 F N 4.385 124.066 119.950 -0.448 0.000 2.571 17 F HA -0.036 4.491 4.527 -0.000 0.000 0.390 17 F C 1.340 177.349 175.800 0.348 0.000 1.043 17 F CA 0.212 58.037 58.000 -0.291 0.000 1.164 17 F CB -0.166 38.569 39.000 -0.441 0.000 1.049 17 F HN 0.507 nan 8.300 nan 0.000 0.552 18 E N 2.487 122.698 120.200 0.019 0.000 3.496 18 E HA -0.299 4.051 4.350 -0.000 0.000 0.300 18 E C -0.575 176.140 176.600 0.192 0.000 0.877 18 E CA 0.846 57.240 56.400 -0.010 0.000 1.050 18 E CB -1.708 27.854 29.700 -0.230 0.000 1.532 18 E HN 0.619 nan 8.360 nan 0.000 0.447 19 W N 1.532 122.761 121.300 -0.119 0.000 2.150 19 W HA 0.229 4.888 4.660 -0.001 0.000 0.341 19 W C 1.520 177.869 176.519 -0.283 0.000 1.276 19 W CA -0.073 57.092 57.345 -0.300 0.000 1.238 19 W CB 0.283 29.563 29.460 -0.299 0.000 1.128 19 W HN -0.098 nan 8.180 nan 0.000 0.581 20 R N 1.468 121.892 120.500 -0.126 0.000 2.582 20 R HA 0.079 4.419 4.340 -0.000 0.000 0.271 20 R C 1.031 177.339 176.300 0.014 0.000 1.078 20 R CA -0.274 55.680 56.100 -0.243 0.000 1.127 20 R CB 0.515 30.695 30.300 -0.199 0.000 1.038 20 R HN 0.689 nan 8.270 nan 0.000 0.500 21 W N 0.460 121.808 121.300 0.080 0.000 2.358 21 W HA -0.185 4.475 4.660 -0.000 0.000 0.303 21 W C 1.932 178.463 176.519 0.020 0.000 1.208 21 W CA 0.060 57.439 57.345 0.057 0.000 1.274 21 W CB -0.268 29.240 29.460 0.079 0.000 1.138 21 W HN 0.414 nan 8.180 nan 0.000 0.515 22 V N 1.051 121.095 119.914 0.217 0.000 2.490 22 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 22 V C 1.722 177.866 176.094 0.083 0.000 1.061 22 V CA 2.267 64.638 62.300 0.117 0.000 1.064 22 V CB -0.495 31.367 31.823 0.065 0.000 0.670 22 V HN 0.066 nan 8.190 nan 0.000 0.461 23 D N -0.133 120.306 120.400 0.065 0.000 2.149 23 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 23 D C 2.073 178.515 176.300 0.237 0.000 0.972 23 D CA 1.627 55.655 54.000 0.047 0.000 0.835 23 D CB -0.030 40.669 40.800 -0.167 0.000 0.966 23 D HN 0.489 nan 8.370 nan 0.000 0.476 24 I N 1.272 122.014 120.570 0.287 0.000 2.252 24 I HA -0.217 3.952 4.170 -0.000 0.000 0.245 24 I C 2.558 178.726 176.117 0.084 0.000 1.102 24 I CA 0.767 62.186 61.300 0.199 0.000 1.385 24 I CB -0.233 37.874 38.000 0.179 0.000 1.064 24 I HN -0.099 nan 8.210 nan 0.000 0.414 25 A N 1.170 124.033 122.820 0.072 0.000 1.883 25 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 25 A C 2.314 179.917 177.584 0.032 0.000 1.186 25 A CA 1.577 53.624 52.037 0.017 0.000 0.624 25 A CB -0.916 18.094 19.000 0.016 0.000 0.822 25 A HN 0.377 nan 8.150 nan 0.000 0.444 26 L N -1.203 120.055 121.223 0.058 0.000 2.046 26 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 26 L C 2.674 179.594 176.870 0.083 0.000 1.077 26 L CA 1.764 56.640 54.840 0.059 0.000 0.747 26 L CB -0.408 41.682 42.059 0.051 0.000 0.896 26 L HN 0.479 nan 8.230 nan 0.000 0.432 27 E N -0.499 119.773 120.200 0.119 0.000 2.153 27 E HA -0.210 4.139 4.350 -0.000 0.000 0.194 27 E C 2.246 178.901 176.600 0.092 0.000 0.988 27 E CA 1.348 57.833 56.400 0.143 0.000 0.811 27 E CB -0.222 29.584 29.700 0.177 0.000 0.746 27 E HN 0.422 nan 8.360 nan 0.000 0.466 28 c N 0.463 119.084 118.600 0.034 0.000 2.432 28 c HA -0.103 4.467 4.570 -0.000 0.000 0.277 28 c C 2.356 176.462 174.090 0.028 0.000 1.249 28 c CA 1.251 57.583 56.329 0.005 0.000 1.725 28 c CB -0.825 41.661 42.510 -0.039 0.000 2.028 28 c HN 0.542 nan 8.230 nan 0.000 0.477 29 E N 0.246 120.466 120.200 0.033 0.000 2.076 29 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 29 E C 2.352 178.987 176.600 0.058 0.000 0.979 29 E CA 0.839 57.260 56.400 0.034 0.000 0.807 29 E CB -0.216 29.501 29.700 0.027 0.000 0.761 29 E HN 0.683 nan 8.360 nan 0.000 0.454 30 R N -0.858 119.696 120.500 0.089 0.000 2.240 30 R HA -0.026 4.314 4.340 -0.000 0.000 0.203 30 R C 1.203 177.618 176.300 0.193 0.000 1.011 30 R CA 1.060 57.231 56.100 0.118 0.000 1.007 30 R CB 0.090 30.460 30.300 0.117 0.000 0.911 30 R HN 0.255 nan 8.270 nan 0.000 0.468 31 Y N -0.143 120.180 120.300 0.038 0.000 3.006 31 Y HA 0.256 4.806 4.550 -0.000 0.000 0.236 31 Y C 1.697 177.632 175.900 0.058 0.000 1.088 31 Y CA -0.287 57.841 58.100 0.047 0.000 1.307 31 Y CB 0.219 38.701 38.460 0.036 0.000 1.445 31 Y HN -0.152 nan 8.280 nan 0.000 0.433 32 L N 0.576 121.882 121.223 0.140 0.000 2.012 32 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 32 L C 2.630 179.576 176.870 0.126 0.000 1.073 32 L CA 1.728 56.614 54.840 0.076 0.000 0.748 32 L CB -0.976 41.087 42.059 0.005 0.000 0.891 32 L HN 0.394 nan 8.230 nan 0.000 0.431 33 A N 0.485 123.341 122.820 0.060 0.000 1.841 33 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 33 A C 0.061 177.656 177.584 0.018 0.000 1.195 33 A CA 1.607 53.667 52.037 0.039 0.000 0.611 33 A CB -1.912 17.096 19.000 0.015 0.000 0.835 33 A HN 0.320 nan 8.150 nan 0.000 0.443 34 P HA -0.103 nan 4.420 nan 0.000 0.220 34 P C 0.608 177.873 177.300 -0.059 0.000 1.148 34 P CA 1.163 64.244 63.100 -0.033 0.000 0.803 34 P CB -0.037 31.641 31.700 -0.036 0.000 0.782 35 K N -1.062 119.282 120.400 -0.094 0.000 2.444 35 K HA 0.273 4.593 4.320 -0.000 0.000 0.193 35 K C 1.310 177.907 176.600 -0.005 0.000 1.024 35 K CA 0.445 56.684 56.287 -0.080 0.000 1.077 35 K CB -1.088 31.281 32.500 -0.219 0.000 0.833 35 K HN 0.210 nan 8.250 nan 0.000 0.517 36 G N 0.717 109.530 108.800 0.022 0.000 2.147 36 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 36 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 36 G C -0.237 174.608 174.900 -0.091 0.000 1.005 36 G CA -0.365 44.708 45.100 -0.044 0.000 0.713 36 G HN 0.183 nan 8.290 nan 0.000 0.515 37 F N 0.453 120.384 119.950 -0.031 0.000 2.443 37 F HA 0.508 5.034 4.527 -0.000 0.000 0.353 37 F C 1.816 177.621 175.800 0.007 0.000 1.101 37 F CA 0.825 58.822 58.000 -0.005 0.000 1.226 37 F CB 1.356 40.367 39.000 0.019 0.000 1.140 37 F HN -0.001 nan 8.300 nan 0.000 0.557 38 G N 1.410 110.300 108.800 0.149 0.000 2.430 38 G HA2 0.384 4.344 3.960 -0.000 0.000 0.216 38 G HA3 0.384 4.344 3.960 -0.000 0.000 0.216 38 G C 0.498 175.531 174.900 0.223 0.000 1.146 38 G CA 0.699 45.895 45.100 0.160 0.000 0.793 38 G HN 1.024 nan 8.290 nan 0.000 0.537 39 G N -2.148 106.816 108.800 0.274 0.000 0.000 39 G HA2 0.453 4.412 3.960 -0.000 0.000 0.000 39 G HA3 0.453 4.412 3.960 -0.000 0.000 0.000 39 G C -2.206 172.843 174.900 0.248 0.000 0.000 39 G CA -0.266 45.009 45.100 0.292 0.000 0.000 39 G HN 0.478 nan 8.290 nan 0.000 0.000 40 V N 0.475 120.518 119.914 0.214 0.000 2.638 40 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 40 V C -0.135 176.109 176.094 0.250 0.000 1.052 40 V CA -0.654 61.721 62.300 0.126 0.000 0.885 40 V CB 1.635 33.436 31.823 -0.037 0.000 0.999 40 V HN 0.852 nan 8.190 nan 0.000 0.424 41 Q N 3.523 123.474 119.800 0.250 0.000 2.296 41 Q HA 0.602 4.942 4.340 -0.000 0.000 0.257 41 Q C -0.600 175.576 176.000 0.294 0.000 0.942 41 Q CA -0.427 55.542 55.803 0.277 0.000 0.939 41 Q CB 1.761 30.598 28.738 0.165 0.000 1.198 41 Q HN 0.803 nan 8.270 nan 0.000 0.429 42 V N 1.135 121.216 119.914 0.278 0.000 2.966 42 V HA 0.580 4.700 4.120 -0.000 0.000 0.317 42 V C 0.131 176.495 176.094 0.451 0.000 1.070 42 V CA -0.849 61.686 62.300 0.391 0.000 1.008 42 V CB 1.668 33.711 31.823 0.367 0.000 1.070 42 V HN 0.755 nan 8.190 nan 0.000 0.457 43 S N 2.647 118.673 115.700 0.544 0.000 2.593 43 S HA 0.355 4.825 4.470 -0.000 0.000 0.269 43 S C -2.382 172.451 174.600 0.387 0.000 1.334 43 S CA -0.384 58.084 58.200 0.447 0.000 1.015 43 S CB 0.292 63.698 63.200 0.344 0.000 0.912 43 S HN 0.849 nan 8.310 nan 0.000 0.541 44 P HA 0.035 nan 4.420 nan 0.000 0.258 44 P C -1.940 175.516 177.300 0.261 0.000 1.172 44 P CA -0.658 62.528 63.100 0.144 0.000 0.762 44 P CB 0.037 31.685 31.700 -0.087 0.000 0.764 45 P HA -0.036 nan 4.420 nan 0.000 0.251 45 P C -0.135 177.278 177.300 0.187 0.000 1.223 45 P CA 0.605 63.907 63.100 0.337 0.000 0.796 45 P CB 0.179 31.804 31.700 -0.125 0.000 1.068 46 N N 0.565 119.350 118.700 0.142 0.000 2.515 46 N HA 0.045 4.785 4.740 -0.000 0.000 0.279 46 N C -0.153 175.350 175.510 -0.013 0.000 1.164 46 N CA -0.461 52.617 53.050 0.046 0.000 0.982 46 N CB 1.224 39.670 38.487 -0.068 0.000 1.170 46 N HN -0.036 nan 8.380 nan 0.000 0.474 47 E N 0.337 120.507 120.200 -0.051 0.000 2.529 47 E HA -0.101 4.249 4.350 -0.000 0.000 0.259 47 E C -0.349 176.173 176.600 -0.130 0.000 0.966 47 E CA 0.145 56.500 56.400 -0.075 0.000 0.937 47 E CB 0.272 29.925 29.700 -0.079 0.000 0.923 47 E HN 0.749 nan 8.360 nan 0.000 0.468 48 N N 1.675 120.300 118.700 -0.126 0.000 2.629 48 N HA 0.241 4.981 4.740 -0.000 0.000 0.279 48 N C -0.934 174.464 175.510 -0.187 0.000 1.344 48 N CA -0.765 52.191 53.050 -0.156 0.000 0.789 48 N CB 0.994 39.412 38.487 -0.116 0.000 1.508 48 N HN 0.153 nan 8.380 nan 0.000 0.516 49 V N 0.375 120.170 119.914 -0.198 0.000 2.572 49 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 49 V C 0.695 176.716 176.094 -0.121 0.000 1.039 49 V CA -0.503 61.696 62.300 -0.169 0.000 1.055 49 V CB 0.422 32.194 31.823 -0.086 0.000 0.969 49 V HN 0.822 nan 8.190 nan 0.000 0.482 50 A N 7.307 130.074 122.820 -0.088 0.000 2.343 50 A HA 0.634 4.954 4.320 -0.000 0.000 0.305 50 A C -0.266 177.131 177.584 -0.310 0.000 1.308 50 A CA -0.305 51.589 52.037 -0.238 0.000 0.949 50 A CB -0.296 18.615 19.000 -0.148 0.000 1.148 50 A HN 0.773 nan 8.150 nan 0.000 0.545 51 I N 2.483 122.789 120.570 -0.440 0.000 2.336 51 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 51 I C -0.184 175.605 176.117 -0.547 0.000 0.991 51 I CA -0.148 60.948 61.300 -0.341 0.000 1.227 51 I CB 1.284 39.131 38.000 -0.256 0.000 1.366 51 I HN 0.783 nan 8.210 nan 0.000 0.466 52 Y N 3.120 123.371 120.300 -0.082 0.000 2.444 52 Y HA 0.177 4.726 4.550 -0.001 0.000 0.249 52 Y C 0.717 176.626 175.900 0.014 0.000 1.134 52 Y CA -0.307 57.789 58.100 -0.007 0.000 1.261 52 Y CB 0.324 38.827 38.460 0.072 0.000 1.143 52 Y HN 0.516 nan 8.280 nan 0.000 0.523 53 N N 1.582 120.312 118.700 0.050 0.000 2.664 53 N HA 0.240 4.980 4.740 -0.000 0.000 0.257 53 N C -2.917 172.529 175.510 -0.107 0.000 1.108 53 N CA -1.907 51.128 53.050 -0.026 0.000 0.822 53 N CB 1.011 39.510 38.487 0.021 0.000 1.199 53 N HN -0.147 nan 8.380 nan 0.000 0.529 54 P HA 0.159 nan 4.420 nan 0.000 0.274 54 P C -0.546 176.587 177.300 -0.278 0.000 1.260 54 P CA -0.366 62.399 63.100 -0.558 0.000 0.793 54 P CB 0.554 31.395 31.700 -1.431 0.000 1.048 55 F N 2.438 122.245 119.950 -0.239 0.000 2.487 55 F HA 0.120 4.647 4.527 -0.001 0.000 0.364 55 F C 0.666 176.465 175.800 -0.001 0.000 1.126 55 F CA -0.217 57.777 58.000 -0.009 0.000 1.135 55 F CB -0.250 38.828 39.000 0.130 0.000 1.127 55 F HN 0.210 nan 8.300 nan 0.000 0.559 56 R N 3.521 123.587 120.500 -0.723 0.000 3.022 56 R HA -0.159 4.181 4.340 -0.000 0.000 0.248 56 R C -2.679 173.378 176.300 -0.404 0.000 0.874 56 R CA 0.161 55.841 56.100 -0.699 0.000 0.626 56 R CB -2.420 27.337 30.300 -0.905 0.000 1.255 56 R HN 0.389 nan 8.270 nan 0.000 0.496 57 P HA -0.012 nan 4.420 nan 0.000 0.274 57 P C 1.510 178.483 177.300 -0.545 0.000 1.231 57 P CA -0.526 62.232 63.100 -0.570 0.000 0.790 57 P CB 0.260 31.079 31.700 -1.468 0.000 0.951 58 W N 3.372 124.544 121.300 -0.213 0.000 2.350 58 W HA -0.125 4.534 4.660 -0.000 0.000 0.289 58 W C 1.542 178.183 176.519 0.203 0.000 1.215 58 W CA 0.875 58.237 57.345 0.028 0.000 1.236 58 W CB -1.755 27.889 29.460 0.306 0.000 1.130 58 W HN 0.469 nan 8.180 nan 0.000 0.541 59 W N 3.309 124.093 121.300 -0.861 0.000 2.825 59 W HA 0.031 4.691 4.660 -0.000 0.000 0.243 59 W C 1.585 178.014 176.519 -0.149 0.000 1.293 59 W CA 0.859 57.797 57.345 -0.678 0.000 1.403 59 W CB -1.379 27.349 29.460 -1.219 0.000 1.134 59 W HN 0.207 nan 8.180 nan 0.000 0.666 60 E N 1.799 121.943 120.200 -0.093 0.000 2.338 60 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 60 E C 1.790 178.408 176.600 0.030 0.000 1.007 60 E CA 0.785 57.179 56.400 -0.010 0.000 0.849 60 E CB -0.502 29.050 29.700 -0.246 0.000 0.774 60 E HN 0.256 nan 8.360 nan 0.000 0.506 61 R N -0.424 120.098 120.500 0.037 0.000 2.323 61 R HA -0.001 4.338 4.340 -0.000 0.000 0.198 61 R C 0.360 176.492 176.300 -0.280 0.000 0.988 61 R CA 0.574 56.609 56.100 -0.109 0.000 1.041 61 R CB 0.021 30.245 30.300 -0.125 0.000 0.926 61 R HN 0.317 nan 8.270 nan 0.000 0.476 62 Y N 0.251 120.674 120.300 0.206 0.000 2.607 62 Y HA 0.206 4.756 4.550 -0.000 0.000 0.266 62 Y C 0.207 176.261 175.900 0.257 0.000 1.178 62 Y CA -0.078 58.178 58.100 0.259 0.000 1.226 62 Y CB 0.637 39.291 38.460 0.322 0.000 1.144 62 Y HN -0.113 nan 8.280 nan 0.000 0.528 63 Q N 1.380 121.291 119.800 0.186 0.000 2.907 63 Q HA 0.275 4.615 4.340 -0.000 0.000 0.262 63 Q C -2.730 173.265 176.000 -0.009 0.000 0.997 63 Q CA -2.049 53.832 55.803 0.130 0.000 0.797 63 Q CB 1.214 30.017 28.738 0.108 0.000 1.228 63 Q HN 0.069 nan 8.270 nan 0.000 0.466 64 P HA -0.043 nan 4.420 nan 0.000 0.267 64 P C 0.249 177.403 177.300 -0.244 0.000 1.200 64 P CA 0.069 63.066 63.100 -0.171 0.000 0.772 64 P CB 1.186 32.765 31.700 -0.201 0.000 0.855 65 V N 0.254 119.995 119.914 -0.287 0.000 3.484 65 V HA 0.123 4.243 4.120 -0.000 0.000 0.252 65 V C 0.800 176.797 176.094 -0.162 0.000 1.282 65 V CA 1.423 63.575 62.300 -0.248 0.000 1.104 65 V CB 0.553 32.081 31.823 -0.491 0.000 0.868 65 V HN 0.852 nan 8.190 nan 0.000 0.457 66 S N -2.136 113.360 115.700 -0.341 0.000 2.683 66 S HA 0.425 4.895 4.470 -0.000 0.000 0.269 66 S C -0.946 173.264 174.600 -0.649 0.000 1.165 66 S CA -0.351 57.566 58.200 -0.471 0.000 0.840 66 S CB 0.814 63.892 63.200 -0.204 0.000 1.169 66 S HN -0.053 nan 8.310 nan 0.000 0.490 67 Y N 0.990 121.126 120.300 -0.274 0.000 2.607 67 Y HA 0.469 5.018 4.550 -0.000 0.000 0.266 67 Y C 0.518 176.294 175.900 -0.207 0.000 1.178 67 Y CA -0.848 56.985 58.100 -0.444 0.000 1.226 67 Y CB -0.139 37.976 38.460 -0.575 0.000 1.144 67 Y HN 0.412 nan 8.280 nan 0.000 0.528 68 K N 0.788 121.168 120.400 -0.033 0.000 2.401 68 K HA 0.150 4.469 4.320 -0.000 0.000 0.278 68 K C -0.463 176.168 176.600 0.052 0.000 1.018 68 K CA -0.411 55.887 56.287 0.017 0.000 0.981 68 K CB 0.679 33.184 32.500 0.009 0.000 0.933 68 K HN -0.066 nan 8.250 nan 0.000 0.477 69 L N 3.664 124.938 121.223 0.086 0.000 2.391 69 L HA 0.073 4.413 4.340 -0.000 0.000 0.249 69 L C -0.462 176.497 176.870 0.148 0.000 1.308 69 L CA 0.241 55.131 54.840 0.084 0.000 1.209 69 L CB -0.450 41.621 42.059 0.019 0.000 1.401 69 L HN 0.607 nan 8.230 nan 0.000 0.416 70 c N 1.796 120.471 118.600 0.126 0.000 2.919 70 c HA 0.738 5.308 4.570 -0.000 0.000 0.337 70 c C 0.381 174.514 174.090 0.073 0.000 1.039 70 c CA -0.010 56.387 56.329 0.113 0.000 1.373 70 c CB -0.033 42.523 42.510 0.075 0.000 1.843 70 c HN 0.864 nan 8.230 nan 0.000 0.493 71 T N 1.707 116.304 114.554 0.071 0.000 2.696 71 T HA 0.494 4.844 4.350 -0.000 0.000 0.291 71 T C 0.934 175.576 174.700 -0.096 0.000 1.095 71 T CA -0.669 61.423 62.100 -0.015 0.000 1.026 71 T CB 1.047 69.917 68.868 0.003 0.000 1.390 71 T HN 0.495 nan 8.240 nan 0.000 0.513 72 R N 0.070 120.482 120.500 -0.147 0.000 2.285 72 R HA 0.064 4.404 4.340 -0.000 0.000 0.213 72 R C 2.020 178.153 176.300 -0.278 0.000 1.068 72 R CA 0.765 56.760 56.100 -0.175 0.000 1.004 72 R CB -0.360 29.836 30.300 -0.174 0.000 0.873 72 R HN 0.528 nan 8.270 nan 0.000 0.467 73 S N -0.472 114.948 115.700 -0.467 0.000 2.470 73 S HA 0.128 4.598 4.470 -0.000 0.000 0.225 73 S C 0.729 174.727 174.600 -1.004 0.000 1.006 73 S CA 0.711 58.352 58.200 -0.931 0.000 0.934 73 S CB 0.618 62.742 63.200 -1.795 0.000 0.778 73 S HN 0.648 nan 8.310 nan 0.000 0.517 74 G N 1.239 109.734 108.800 -0.510 0.000 2.369 74 G HA2 0.141 4.101 3.960 -0.000 0.000 0.293 74 G HA3 0.141 4.101 3.960 -0.000 0.000 0.293 74 G C -1.366 173.669 174.900 0.224 0.000 1.301 74 G CA -0.561 44.481 45.100 -0.095 0.000 0.913 74 G HN 0.348 nan 8.290 nan 0.000 0.540 75 N N -0.823 118.062 118.700 0.308 0.000 2.643 75 N HA 0.444 5.184 4.740 -0.000 0.000 0.305 75 N C 1.032 176.760 175.510 0.363 0.000 1.283 75 N CA 0.079 53.298 53.050 0.283 0.000 0.946 75 N CB 0.898 39.492 38.487 0.178 0.000 1.149 75 N HN 0.728 nan 8.380 nan 0.000 0.600 76 E N -0.960 119.393 120.200 0.255 0.000 2.106 76 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 76 E C 0.334 177.084 176.600 0.250 0.000 0.984 76 E CA 1.228 57.777 56.400 0.248 0.000 0.806 76 E CB -0.084 29.737 29.700 0.201 0.000 0.750 76 E HN 0.514 nan 8.360 nan 0.000 0.458 77 D N 0.547 121.069 120.400 0.203 0.000 2.117 77 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 77 D C 1.712 178.115 176.300 0.171 0.000 0.982 77 D CA 1.031 55.128 54.000 0.162 0.000 0.828 77 D CB -0.113 40.764 40.800 0.128 0.000 0.967 77 D HN 0.373 nan 8.370 nan 0.000 0.464 78 E N -0.012 120.330 120.200 0.238 0.000 2.106 78 E HA -0.140 4.209 4.350 -0.000 0.000 0.192 78 E C 1.912 178.657 176.600 0.242 0.000 0.984 78 E CA 0.367 56.930 56.400 0.271 0.000 0.806 78 E CB -0.177 29.741 29.700 0.363 0.000 0.750 78 E HN 0.223 nan 8.360 nan 0.000 0.458 79 F N 1.952 121.938 119.950 0.061 0.000 2.113 79 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 79 F C 2.278 177.926 175.800 -0.255 0.000 1.103 79 F CA 1.444 59.196 58.000 -0.413 0.000 1.248 79 F CB 0.085 38.779 39.000 -0.510 0.000 0.999 79 F HN -0.217 nan 8.300 nan 0.000 0.475 80 R N 0.253 120.756 120.500 0.005 0.000 2.081 80 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 80 R C 2.290 178.517 176.300 -0.122 0.000 1.131 80 R CA 1.482 57.550 56.100 -0.054 0.000 0.960 80 R CB -1.025 29.318 30.300 0.072 0.000 0.856 80 R HN 0.449 nan 8.270 nan 0.000 0.436 81 N N 1.177 119.845 118.700 -0.052 0.000 2.104 81 N HA -0.216 4.523 4.740 -0.000 0.000 0.190 81 N C 1.877 177.323 175.510 -0.108 0.000 1.024 81 N CA 1.466 54.495 53.050 -0.035 0.000 0.853 81 N CB -0.031 38.470 38.487 0.023 0.000 1.008 81 N HN 0.233 nan 8.380 nan 0.000 0.424 82 M N 0.755 120.246 119.600 -0.182 0.000 2.086 82 M HA -0.126 4.353 4.480 -0.000 0.000 0.261 82 M C 1.860 177.943 176.300 -0.362 0.000 1.067 82 M CA 1.376 56.535 55.300 -0.236 0.000 1.116 82 M CB -0.069 32.369 32.600 -0.270 0.000 1.348 82 M HN -0.037 nan 8.290 nan 0.000 0.407 83 V N 0.566 120.156 119.914 -0.539 0.000 2.343 83 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 83 V C 2.330 178.132 176.094 -0.487 0.000 1.051 83 V CA 2.282 64.243 62.300 -0.564 0.000 1.036 83 V CB -1.205 30.243 31.823 -0.625 0.000 0.654 83 V HN 0.586 nan 8.190 nan 0.000 0.451 84 T N -0.236 114.138 114.554 -0.300 0.000 2.674 84 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 84 T C 2.089 176.720 174.700 -0.116 0.000 1.039 84 T CA 1.583 63.604 62.100 -0.131 0.000 1.150 84 T CB -0.221 68.705 68.868 0.096 0.000 0.864 84 T HN 0.420 nan 8.240 nan 0.000 0.427 85 R N 0.050 120.488 120.500 -0.104 0.000 2.092 85 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 85 R C 2.747 178.975 176.300 -0.120 0.000 1.119 85 R CA 1.195 57.253 56.100 -0.070 0.000 0.970 85 R CB -0.656 29.617 30.300 -0.044 0.000 0.864 85 R HN 0.376 nan 8.270 nan 0.000 0.440 86 c N 0.540 119.022 118.600 -0.198 0.000 2.466 86 c HA 0.015 4.585 4.570 -0.000 0.000 0.278 86 c C 2.300 176.226 174.090 -0.274 0.000 1.288 86 c CA 0.338 56.542 56.329 -0.207 0.000 1.722 86 c CB -0.899 41.469 42.510 -0.237 0.000 2.017 86 c HN 0.500 nan 8.230 nan 0.000 0.488 87 N N 1.692 120.114 118.700 -0.463 0.000 2.120 87 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 87 N C 1.247 176.535 175.510 -0.370 0.000 1.024 87 N CA 1.111 53.754 53.050 -0.679 0.000 0.852 87 N CB -0.639 36.884 38.487 -1.607 0.000 1.003 87 N HN 0.480 nan 8.380 nan 0.000 0.424 88 N N 0.136 118.753 118.700 -0.139 0.000 2.585 88 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 88 N C 1.017 176.530 175.510 0.005 0.000 1.102 88 N CA 0.217 53.314 53.050 0.077 0.000 0.920 88 N CB 0.201 38.764 38.487 0.127 0.000 0.963 88 N HN 0.057 nan 8.380 nan 0.000 0.447 89 V N -1.127 118.753 119.914 -0.057 0.000 3.380 89 V HA 0.299 4.419 4.120 -0.000 0.000 0.307 89 V C 1.043 177.106 176.094 -0.052 0.000 1.434 89 V CA 0.624 62.901 62.300 -0.039 0.000 1.075 89 V CB -0.126 31.679 31.823 -0.030 0.000 0.954 89 V HN 0.356 nan 8.190 nan 0.000 0.444 90 G N 0.591 109.336 108.800 -0.093 0.000 2.143 90 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.249 90 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.249 90 G C 0.116 174.970 174.900 -0.078 0.000 0.981 90 G CA 0.257 45.304 45.100 -0.089 0.000 0.665 90 G HN 0.630 nan 8.290 nan 0.000 0.528 91 V N 2.547 122.400 119.914 -0.100 0.000 2.347 91 V HA 0.582 4.702 4.120 -0.000 0.000 0.280 91 V C 0.540 176.548 176.094 -0.144 0.000 1.021 91 V CA -1.250 61.011 62.300 -0.066 0.000 0.847 91 V CB 1.349 33.148 31.823 -0.039 0.000 0.990 91 V HN 0.320 nan 8.190 nan 0.000 0.444 92 R N 4.292 124.728 120.500 -0.106 0.000 2.531 92 R HA 0.534 4.874 4.340 -0.000 0.000 0.273 92 R C -0.549 175.525 176.300 -0.376 0.000 1.070 92 R CA -0.732 55.211 56.100 -0.261 0.000 1.112 92 R CB 0.910 31.047 30.300 -0.272 0.000 1.049 92 R HN 0.426 nan 8.270 nan 0.000 0.508 93 I N 2.902 123.137 120.570 -0.559 0.000 2.378 93 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 93 I C -0.644 175.060 176.117 -0.687 0.000 0.992 93 I CA -0.904 60.108 61.300 -0.480 0.000 1.154 93 I CB 1.061 38.803 38.000 -0.430 0.000 1.315 93 I HN 0.419 nan 8.210 nan 0.000 0.448 94 Y N 4.873 125.137 120.300 -0.059 0.000 2.328 94 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 94 Y C 0.234 176.099 175.900 -0.059 0.000 0.960 94 Y CA -0.884 57.175 58.100 -0.068 0.000 1.134 94 Y CB 1.844 40.395 38.460 0.153 0.000 1.166 94 Y HN 0.182 nan 8.280 nan 0.000 0.464 95 V N 3.209 123.092 119.914 -0.052 0.000 2.509 95 V HA 0.093 4.212 4.120 -0.000 0.000 0.284 95 V C -0.087 176.108 176.094 0.169 0.000 1.047 95 V CA -0.716 61.637 62.300 0.089 0.000 0.952 95 V CB 1.387 33.274 31.823 0.107 0.000 0.988 95 V HN 0.658 nan 8.190 nan 0.000 0.469 96 D N 4.211 124.716 120.400 0.176 0.000 2.344 96 D HA 0.322 4.961 4.640 -0.000 0.000 0.253 96 D C 0.071 176.483 176.300 0.185 0.000 1.255 96 D CA 0.003 54.097 54.000 0.157 0.000 0.894 96 D CB 1.147 42.065 40.800 0.197 0.000 1.067 96 D HN 0.680 nan 8.370 nan 0.000 0.492 97 A N 4.146 127.058 122.820 0.154 0.000 2.260 97 A HA 0.404 4.724 4.320 -0.000 0.000 0.312 97 A C -0.158 177.482 177.584 0.094 0.000 1.321 97 A CA -0.687 51.429 52.037 0.131 0.000 0.928 97 A CB 0.675 19.654 19.000 -0.036 0.000 1.158 97 A HN 0.368 nan 8.150 nan 0.000 0.542 98 V N 5.330 125.307 119.914 0.105 0.000 2.284 98 V HA 0.186 4.306 4.120 -0.000 0.000 0.260 98 V C 0.807 176.864 176.094 -0.060 0.000 1.084 98 V CA 0.290 62.599 62.300 0.015 0.000 0.894 98 V CB -0.441 31.389 31.823 0.011 0.000 1.119 98 V HN 0.874 nan 8.190 nan 0.000 0.484 99 I N 0.582 121.098 120.570 -0.091 0.000 4.240 99 I HA 0.348 4.518 4.170 -0.000 0.000 0.331 99 I C 1.531 177.586 176.117 -0.103 0.000 1.381 99 I CA 0.208 61.464 61.300 -0.072 0.000 1.136 99 I CB 0.187 38.145 38.000 -0.072 0.000 1.137 99 I HN 0.462 nan 8.210 nan 0.000 0.411 100 N N 1.646 120.253 118.700 -0.156 0.000 2.354 100 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 100 N C 0.537 176.041 175.510 -0.010 0.000 1.021 100 N CA 1.117 54.144 53.050 -0.037 0.000 0.887 100 N CB 0.152 38.712 38.487 0.122 0.000 0.974 100 N HN 0.696 nan 8.380 nan 0.000 0.437 101 H N -3.778 115.306 119.070 0.023 0.000 2.960 101 H HA 0.289 4.845 4.556 0.000 0.000 0.323 101 H C -0.475 174.842 175.328 -0.019 0.000 1.326 101 H CA -0.922 55.133 56.048 0.011 0.000 1.124 101 H CB 0.513 30.285 29.762 0.015 0.000 1.853 101 H HN -0.185 nan 8.280 nan 0.000 0.536 102 M N 0.786 120.468 119.600 0.136 0.000 2.341 102 M HA 0.307 4.787 4.480 -0.000 0.000 0.221 102 M C 1.069 177.423 176.300 0.090 0.000 0.772 102 M CA -0.356 54.906 55.300 -0.064 0.000 1.742 102 M CB 0.045 32.346 32.600 -0.498 0.000 1.160 102 M HN 0.866 nan 8.290 nan 0.000 0.870 103 C N -0.141 119.187 119.300 0.047 0.000 2.517 103 C HA 0.799 5.259 4.460 -0.000 0.000 0.357 103 C C 0.994 176.037 174.990 0.087 0.000 1.485 103 C CA -0.954 58.124 59.018 0.101 0.000 2.148 103 C CB -0.535 27.265 27.740 0.099 0.000 2.019 103 C HN 0.835 nan 8.230 nan 0.000 0.576 104 G N 1.595 110.432 108.800 0.061 0.000 2.380 104 G HA2 0.158 4.118 3.960 -0.000 0.000 0.242 104 G HA3 0.158 4.118 3.960 -0.000 0.000 0.242 104 G C 0.939 175.859 174.900 0.033 0.000 1.298 104 G CA 0.269 45.377 45.100 0.013 0.000 0.878 104 G HN 1.046 nan 8.290 nan 0.000 0.542 105 N N 1.627 120.319 118.700 -0.012 0.000 2.443 105 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 105 N C 1.666 177.161 175.510 -0.025 0.000 1.037 105 N CA 1.106 54.139 53.050 -0.028 0.000 0.896 105 N CB 0.052 38.504 38.487 -0.058 0.000 0.959 105 N HN 0.423 nan 8.380 nan 0.000 0.442 106 A N 0.730 123.541 122.820 -0.016 0.000 2.238 106 A HA 0.289 4.609 4.320 -0.000 0.000 0.210 106 A C 0.874 178.459 177.584 0.001 0.000 1.179 106 A CA -0.344 51.683 52.037 -0.018 0.000 0.827 106 A CB 0.081 19.068 19.000 -0.022 0.000 0.856 106 A HN 0.100 nan 8.150 nan 0.000 0.488 107 V N 1.169 121.105 119.914 0.037 0.000 2.872 107 V HA 0.043 4.163 4.120 -0.000 0.000 0.307 107 V C 0.883 176.981 176.094 0.008 0.000 1.072 107 V CA 0.165 62.510 62.300 0.074 0.000 1.148 107 V CB 1.223 33.161 31.823 0.191 0.000 0.954 107 V HN 0.394 nan 8.190 nan 0.000 0.490 108 S N 2.956 118.642 115.700 -0.023 0.000 2.548 108 S HA 0.518 4.988 4.470 -0.000 0.000 0.277 108 S C 0.425 174.834 174.600 -0.319 0.000 1.315 108 S CA -0.218 57.910 58.200 -0.121 0.000 1.050 108 S CB 1.067 64.218 63.200 -0.081 0.000 0.918 108 S HN 1.053 nan 8.310 nan 0.000 0.497 109 A N 2.705 125.294 122.820 -0.385 0.000 2.448 109 A HA 0.695 5.015 4.320 -0.000 0.000 0.239 109 A C 1.024 178.232 177.584 -0.626 0.000 1.080 109 A CA 0.499 52.140 52.037 -0.661 0.000 0.779 109 A CB -0.430 18.312 19.000 -0.429 0.000 1.026 109 A HN 1.365 nan 8.150 nan 0.000 0.499 110 G N -0.951 107.317 108.800 -0.887 0.000 2.291 110 G HA2 0.377 4.337 3.960 -0.000 0.000 0.249 110 G HA3 0.377 4.337 3.960 -0.000 0.000 0.249 110 G C 0.055 174.728 174.900 -0.378 0.000 1.340 110 G CA 0.624 45.487 45.100 -0.395 0.000 1.017 110 G HN 1.859 nan 8.290 nan 0.000 0.470 111 T N -2.474 112.049 114.554 -0.052 0.000 3.331 111 T HA 0.540 4.890 4.350 -0.000 0.000 0.282 111 T C 0.746 175.565 174.700 0.197 0.000 1.010 111 T CA 0.996 63.173 62.100 0.127 0.000 0.928 111 T CB 0.733 69.694 68.868 0.154 0.000 1.154 111 T HN 1.160 nan 8.240 nan 0.000 0.516 112 S N 2.774 118.611 115.700 0.228 0.000 4.069 112 S HA 0.411 4.881 4.470 -0.000 0.000 0.192 112 S C 0.451 175.249 174.600 0.330 0.000 1.441 112 S CA -0.569 57.799 58.200 0.279 0.000 0.994 112 S CB -0.973 62.381 63.200 0.257 0.000 1.456 112 S HN 0.767 nan 8.310 nan 0.000 0.458 113 S N 0.461 116.315 115.700 0.257 0.000 2.689 113 S HA 0.413 4.883 4.470 -0.000 0.000 0.306 113 S C 1.138 175.764 174.600 0.045 0.000 1.104 113 S CA -0.387 57.869 58.200 0.093 0.000 0.973 113 S CB 1.074 64.316 63.200 0.070 0.000 1.121 113 S HN 0.446 nan 8.310 nan 0.000 0.523 114 T N -3.480 111.063 114.554 -0.019 0.000 3.160 114 T HA 0.006 4.355 4.350 -0.000 0.000 0.257 114 T C 0.958 175.667 174.700 0.016 0.000 1.147 114 T CA 0.505 62.596 62.100 -0.016 0.000 1.064 114 T CB -0.640 68.198 68.868 -0.051 0.000 0.949 114 T HN 0.619 nan 8.240 nan 0.000 0.526 115 c N 0.462 119.081 118.600 0.031 0.000 3.525 115 c HA 0.668 5.238 4.570 -0.000 0.000 0.289 115 c C 2.021 176.152 174.090 0.067 0.000 1.496 115 c CA -0.008 56.349 56.329 0.046 0.000 1.804 115 c CB -0.788 41.744 42.510 0.037 0.000 2.708 115 c HN 0.855 nan 8.230 nan 0.000 0.642 116 G N 1.483 110.336 108.800 0.089 0.000 2.179 116 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 116 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 116 G C 0.213 175.199 174.900 0.145 0.000 0.977 116 G CA 0.566 45.734 45.100 0.113 0.000 0.641 116 G HN 0.587 nan 8.290 nan 0.000 0.533 117 S N -0.180 115.607 115.700 0.144 0.000 2.560 117 S HA 0.413 4.883 4.470 -0.000 0.000 0.284 117 S C 0.003 174.782 174.600 0.299 0.000 1.327 117 S CA -0.220 58.089 58.200 0.181 0.000 1.055 117 S CB 0.783 64.057 63.200 0.123 0.000 0.868 117 S HN 0.593 nan 8.310 nan 0.000 0.506 118 Y N 4.171 124.565 120.300 0.157 0.000 2.301 118 Y HA 0.564 5.114 4.550 -0.000 0.000 0.325 118 Y C -0.492 175.529 175.900 0.202 0.000 1.203 118 Y CA -0.862 57.312 58.100 0.123 0.000 1.255 118 Y CB 0.407 38.873 38.460 0.010 0.000 1.232 118 Y HN 0.588 nan 8.280 nan 0.000 0.501 119 F N 3.020 122.380 119.950 -0.982 0.000 2.668 119 F HA 0.460 4.986 4.527 -0.001 0.000 0.309 119 F C -1.906 173.233 175.800 -1.101 0.000 1.117 119 F CA -1.416 56.040 58.000 -0.906 0.000 0.951 119 F CB 1.357 40.019 39.000 -0.563 0.000 1.323 119 F HN 0.419 nan 8.300 nan 0.000 0.451 120 N N 2.583 120.753 118.700 -0.884 0.000 2.675 120 N HA 0.386 5.126 4.740 -0.000 0.000 0.254 120 N C -2.550 172.667 175.510 -0.488 0.000 1.224 120 N CA -2.106 50.554 53.050 -0.650 0.000 0.777 120 N CB 1.792 40.048 38.487 -0.384 0.000 1.256 120 N HN 0.274 nan 8.380 nan 0.000 0.531 121 P HA -0.076 nan 4.420 nan 0.000 0.215 121 P C 1.346 178.552 177.300 -0.155 0.000 1.157 121 P CA 1.405 64.413 63.100 -0.153 0.000 0.874 121 P CB 0.176 31.884 31.700 0.014 0.000 0.790 122 G N -0.257 108.454 108.800 -0.150 0.000 2.469 122 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 122 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 122 G C 1.443 176.273 174.900 -0.117 0.000 1.150 122 G CA 1.409 46.438 45.100 -0.119 0.000 0.763 122 G HN 0.458 nan 8.290 nan 0.000 0.561 123 S N -1.181 114.443 115.700 -0.127 0.000 2.597 123 S HA 0.328 4.798 4.470 -0.000 0.000 0.224 123 S C 1.073 175.619 174.600 -0.091 0.000 0.955 123 S CA 0.078 58.220 58.200 -0.096 0.000 0.933 123 S CB 0.349 63.510 63.200 -0.064 0.000 0.788 123 S HN 0.187 nan 8.310 nan 0.000 0.488 124 R N 0.745 121.163 120.500 -0.137 0.000 3.641 124 R HA -0.124 4.215 4.340 -0.000 0.000 0.286 124 R C -1.764 174.601 176.300 0.109 0.000 1.153 124 R CA 0.774 56.812 56.100 -0.103 0.000 0.775 124 R CB -2.878 27.366 30.300 -0.094 0.000 1.215 124 R HN 0.577 nan 8.270 nan 0.000 0.474 125 D N -0.318 120.014 120.400 -0.114 0.000 2.303 125 D HA 0.400 5.040 4.640 -0.000 0.000 0.236 125 D C -0.396 175.722 176.300 -0.303 0.000 1.068 125 D CA -0.034 53.960 54.000 -0.010 0.000 0.830 125 D CB 0.436 41.250 40.800 0.023 0.000 1.109 125 D HN 0.017 nan 8.370 nan 0.000 0.496 126 F N 3.077 123.177 119.950 0.251 0.000 2.660 126 F HA 0.266 4.793 4.527 -0.001 0.000 0.352 126 F C -1.498 174.403 175.800 0.169 0.000 1.257 126 F CA -1.800 56.330 58.000 0.216 0.000 1.200 126 F CB 1.580 40.732 39.000 0.253 0.000 1.473 126 F HN 0.227 nan 8.300 nan 0.000 0.561 127 P HA -0.240 nan 4.420 nan 0.000 0.218 127 P C 1.400 178.785 177.300 0.142 0.000 1.146 127 P CA 1.471 64.691 63.100 0.200 0.000 0.813 127 P CB 0.314 32.137 31.700 0.205 0.000 0.778 128 A N -0.684 122.216 122.820 0.134 0.000 2.168 128 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 128 A C 2.276 179.848 177.584 -0.020 0.000 1.152 128 A CA 0.958 53.031 52.037 0.059 0.000 0.716 128 A CB -1.117 17.913 19.000 0.050 0.000 0.794 128 A HN 0.095 nan 8.150 nan 0.000 0.465 129 V N 0.373 120.251 119.914 -0.061 0.000 2.326 129 V HA 0.040 4.160 4.120 -0.000 0.000 0.238 129 V C -1.550 174.469 176.094 -0.126 0.000 1.038 129 V CA 1.237 63.400 62.300 -0.228 0.000 1.032 129 V CB -0.869 30.572 31.823 -0.636 0.000 0.675 129 V HN 0.464 nan 8.190 nan 0.000 0.467 130 P HA 0.447 nan 4.420 nan 0.000 0.292 130 P C -1.892 175.473 177.300 0.108 0.000 1.300 130 P CA -0.369 62.764 63.100 0.055 0.000 0.900 130 P CB 1.511 33.298 31.700 0.145 0.000 1.139 131 Y N -0.537 119.972 120.300 0.348 0.000 2.512 131 Y HA 0.554 5.104 4.550 -0.000 0.000 0.348 131 Y C 0.916 177.095 175.900 0.464 0.000 0.990 131 Y CA -0.405 57.927 58.100 0.386 0.000 1.033 131 Y CB 2.298 40.949 38.460 0.318 0.000 1.259 131 Y HN 0.514 nan 8.280 nan 0.000 0.461 132 S N -0.844 115.235 115.700 0.631 0.000 2.851 132 S HA 0.594 5.064 4.470 -0.000 0.000 0.317 132 S C 1.076 175.971 174.600 0.491 0.000 1.144 132 S CA -0.256 58.244 58.200 0.500 0.000 0.862 132 S CB 1.116 64.562 63.200 0.410 0.000 1.259 132 S HN 0.831 nan 8.310 nan 0.000 0.564 133 G N -0.245 108.667 108.800 0.188 0.000 2.462 133 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 133 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 133 G C 0.735 175.639 174.900 0.007 0.000 1.121 133 G CA 0.537 45.653 45.100 0.026 0.000 0.758 133 G HN 0.770 nan 8.290 nan 0.000 0.559 134 W N 0.834 122.251 121.300 0.195 0.000 2.699 134 W HA 0.173 4.833 4.660 0.000 0.000 0.249 134 W C 1.155 177.723 176.519 0.083 0.000 1.280 134 W CA 0.260 57.676 57.345 0.119 0.000 1.345 134 W CB 0.328 29.830 29.460 0.069 0.000 1.128 134 W HN 0.098 nan 8.180 nan 0.000 0.642 135 D N -1.005 119.531 120.400 0.228 0.000 2.340 135 D HA 0.097 4.736 4.640 -0.000 0.000 0.217 135 D C -0.285 175.662 176.300 -0.589 0.000 1.081 135 D CA 0.389 54.308 54.000 -0.135 0.000 0.842 135 D CB -0.137 40.544 40.800 -0.198 0.000 0.934 135 D HN 0.034 nan 8.370 nan 0.000 0.511 136 F N 0.230 120.190 119.950 0.017 0.000 2.575 136 F HA 0.319 4.846 4.527 -0.000 0.000 0.330 136 F C 1.381 177.189 175.800 0.014 0.000 1.056 136 F CA -1.063 56.926 58.000 -0.019 0.000 0.964 136 F CB 0.880 39.868 39.000 -0.021 0.000 1.258 136 F HN -0.376 nan 8.300 nan 0.000 0.484 137 N N 0.988 119.803 118.700 0.191 0.000 2.362 137 N HA -0.036 4.704 4.740 -0.000 0.000 0.204 137 N C 0.780 176.355 175.510 0.108 0.000 1.166 137 N CA 0.301 53.428 53.050 0.128 0.000 0.831 137 N CB -0.306 38.250 38.487 0.114 0.000 1.008 137 N HN 0.553 nan 8.380 nan 0.000 0.472 138 D N 0.277 120.745 120.400 0.114 0.000 2.133 138 D HA -0.161 4.479 4.640 -0.000 0.000 0.192 138 D C 1.716 178.042 176.300 0.042 0.000 1.001 138 D CA 1.340 55.374 54.000 0.057 0.000 0.844 138 D CB -0.187 40.630 40.800 0.030 0.000 0.944 138 D HN 0.350 nan 8.370 nan 0.000 0.447 139 G N 0.095 108.925 108.800 0.050 0.000 2.712 139 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.212 139 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.212 139 G C 1.569 176.500 174.900 0.052 0.000 1.142 139 G CA 0.069 45.195 45.100 0.044 0.000 0.789 139 G HN 0.201 nan 8.290 nan 0.000 0.535 140 K N -0.546 119.893 120.400 0.066 0.000 2.166 140 K HA 0.063 4.383 4.320 -0.000 0.000 0.201 140 K C 0.985 177.626 176.600 0.068 0.000 1.052 140 K CA -0.127 56.203 56.287 0.072 0.000 0.969 140 K CB -0.088 32.468 32.500 0.093 0.000 0.761 140 K HN 0.243 nan 8.250 nan 0.000 0.459 141 c N 2.472 121.109 118.600 0.061 0.000 2.642 141 c HA 0.094 4.664 4.570 -0.000 0.000 0.420 141 c C 0.704 174.813 174.090 0.033 0.000 1.349 141 c CA -0.028 56.329 56.329 0.046 0.000 1.821 141 c CB -0.207 42.322 42.510 0.032 0.000 2.637 141 c HN 0.388 nan 8.230 nan 0.000 0.605 142 K N 2.824 123.241 120.400 0.029 0.000 2.373 142 K HA 0.148 4.467 4.320 -0.000 0.000 0.202 142 K C 0.810 177.416 176.600 0.010 0.000 1.025 142 K CA 0.094 56.394 56.287 0.021 0.000 1.115 142 K CB 0.213 32.730 32.500 0.027 0.000 0.858 142 K HN 0.856 nan 8.250 nan 0.000 0.525 143 T N -2.540 112.016 114.554 0.003 0.000 2.868 143 T HA 0.235 4.585 4.350 -0.000 0.000 0.292 143 T C 1.500 176.197 174.700 -0.004 0.000 1.028 143 T CA -0.332 61.765 62.100 -0.004 0.000 1.059 143 T CB 1.644 70.504 68.868 -0.014 0.000 0.991 143 T HN 0.157 nan 8.240 nan 0.000 0.531 144 G N 0.485 109.282 108.800 -0.005 0.000 2.422 144 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 144 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 144 G C 1.672 176.566 174.900 -0.010 0.000 1.140 144 G CA 0.736 45.833 45.100 -0.006 0.000 0.775 144 G HN 0.951 nan 8.290 nan 0.000 0.545 145 S N -1.017 114.675 115.700 -0.013 0.000 2.501 145 S HA 0.361 4.831 4.470 -0.000 0.000 0.220 145 S C 1.964 176.551 174.600 -0.021 0.000 0.997 145 S CA 1.024 59.213 58.200 -0.018 0.000 0.919 145 S CB 0.082 63.271 63.200 -0.020 0.000 0.778 145 S HN 1.486 nan 8.310 nan 0.000 0.523 146 G N 0.683 109.472 108.800 -0.018 0.000 2.199 146 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.254 146 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.254 146 G C -0.314 174.570 174.900 -0.027 0.000 0.982 146 G CA 0.319 45.408 45.100 -0.018 0.000 0.632 146 G HN 0.567 nan 8.290 nan 0.000 0.529 147 D N -0.364 120.015 120.400 -0.035 0.000 2.442 147 D HA 0.596 5.235 4.640 -0.000 0.000 0.254 147 D C 0.931 177.196 176.300 -0.058 0.000 1.069 147 D CA -0.670 53.300 54.000 -0.050 0.000 1.017 147 D CB 0.813 41.583 40.800 -0.050 0.000 1.172 147 D HN 0.196 nan 8.370 nan 0.000 0.561 148 I N 1.289 121.808 120.570 -0.084 0.000 2.517 148 I HA 0.018 4.188 4.170 -0.000 0.000 0.285 148 I C 1.255 177.332 176.117 -0.066 0.000 1.106 148 I CA 0.546 61.770 61.300 -0.127 0.000 1.402 148 I CB 0.487 38.347 38.000 -0.233 0.000 1.399 148 I HN 0.294 nan 8.210 nan 0.000 0.535 149 E N 4.176 124.343 120.200 -0.055 0.000 2.434 149 E HA 0.128 4.478 4.350 -0.000 0.000 0.207 149 E C 0.233 176.856 176.600 0.039 0.000 0.929 149 E CA 0.053 56.455 56.400 0.003 0.000 1.001 149 E CB 0.646 30.344 29.700 -0.004 0.000 1.016 149 E HN 0.616 nan 8.360 nan 0.000 0.502 150 N N -0.335 118.365 118.700 -0.001 0.000 2.533 150 N HA 0.112 4.852 4.740 -0.000 0.000 0.289 150 N C -0.709 174.801 175.510 -0.000 0.000 1.103 150 N CA -0.177 52.903 53.050 0.051 0.000 0.877 150 N CB 0.777 39.279 38.487 0.025 0.000 1.419 150 N HN -0.068 nan 8.380 nan 0.000 0.517 151 Y N 2.090 122.389 120.300 -0.002 0.000 2.578 151 Y HA 0.063 4.613 4.550 -0.001 0.000 0.297 151 Y C 1.417 177.309 175.900 -0.014 0.000 1.176 151 Y CA 0.587 58.682 58.100 -0.009 0.000 1.315 151 Y CB 0.067 38.520 38.460 -0.012 0.000 1.031 151 Y HN 0.625 nan 8.280 nan 0.000 0.524 152 N N -0.408 118.351 118.700 0.098 0.000 2.398 152 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 152 N C -0.293 175.232 175.510 0.024 0.000 1.122 152 N CA 0.118 53.202 53.050 0.058 0.000 0.866 152 N CB 0.279 38.797 38.487 0.051 0.000 0.970 152 N HN 0.093 nan 8.380 nan 0.000 0.462 153 D N 0.100 120.498 120.400 -0.002 0.000 2.472 153 D HA 0.283 4.923 4.640 -0.000 0.000 0.234 153 D C 0.587 176.858 176.300 -0.048 0.000 1.088 153 D CA -0.584 53.409 54.000 -0.012 0.000 0.882 153 D CB 0.928 41.720 40.800 -0.012 0.000 1.037 153 D HN 0.075 nan 8.370 nan 0.000 0.520 154 A N 2.880 125.680 122.820 -0.033 0.000 2.076 154 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 154 A C 1.955 179.446 177.584 -0.156 0.000 1.160 154 A CA 1.572 53.551 52.037 -0.098 0.000 0.653 154 A CB -0.367 18.603 19.000 -0.050 0.000 0.801 154 A HN 0.577 nan 8.150 nan 0.000 0.455 155 T N 0.341 114.899 114.554 0.007 0.000 2.770 155 T HA -0.155 4.195 4.350 -0.000 0.000 0.263 155 T C 2.126 176.838 174.700 0.020 0.000 1.039 155 T CA 1.607 63.786 62.100 0.133 0.000 1.142 155 T CB -0.271 68.727 68.868 0.217 0.000 0.868 155 T HN 0.888 nan 8.240 nan 0.000 0.435 156 Q N 0.927 120.711 119.800 -0.028 0.000 2.230 156 Q HA 0.002 4.342 4.340 -0.000 0.000 0.202 156 Q C 2.068 177.986 176.000 -0.137 0.000 0.963 156 Q CA 0.967 56.736 55.803 -0.057 0.000 0.866 156 Q CB -0.605 28.097 28.738 -0.060 0.000 0.931 156 Q HN 0.295 nan 8.270 nan 0.000 0.452 157 V N 0.900 120.682 119.914 -0.219 0.000 2.594 157 V HA -0.202 3.918 4.120 -0.000 0.000 0.253 157 V C 2.021 178.023 176.094 -0.153 0.000 1.069 157 V CA 2.009 64.149 62.300 -0.266 0.000 1.082 157 V CB -0.413 31.198 31.823 -0.353 0.000 0.680 157 V HN 0.289 nan 8.190 nan 0.000 0.469 158 R N -0.434 119.894 120.500 -0.287 0.000 2.175 158 R HA 0.069 4.409 4.340 -0.000 0.000 0.202 158 R C 1.563 177.808 176.300 -0.091 0.000 1.018 158 R CA 0.751 56.633 56.100 -0.363 0.000 1.029 158 R CB -0.086 29.524 30.300 -1.150 0.000 0.959 158 R HN 0.428 nan 8.270 nan 0.000 0.480 159 D N -1.274 119.134 120.400 0.014 0.000 2.389 159 D HA 0.114 4.754 4.640 -0.000 0.000 0.206 159 D C 0.025 176.360 176.300 0.057 0.000 1.055 159 D CA 0.246 54.310 54.000 0.108 0.000 0.856 159 D CB 0.325 41.232 40.800 0.178 0.000 0.957 159 D HN 0.083 nan 8.370 nan 0.000 0.509 160 c N 0.641 119.245 118.600 0.006 0.000 2.354 160 c HA 0.487 5.057 4.570 -0.000 0.000 0.381 160 c C 0.691 174.760 174.090 -0.034 0.000 1.240 160 c CA -0.966 55.356 56.329 -0.012 0.000 2.089 160 c CB 1.281 43.768 42.510 -0.038 0.000 2.234 160 c HN 0.054 nan 8.230 nan 0.000 0.544 161 R N 1.091 121.563 120.500 -0.046 0.000 2.316 161 R HA 0.311 4.651 4.340 -0.000 0.000 0.314 161 R C -0.610 175.606 176.300 -0.140 0.000 1.069 161 R CA -0.453 55.601 56.100 -0.076 0.000 0.959 161 R CB 0.235 30.496 30.300 -0.065 0.000 0.987 161 R HN 0.471 nan 8.270 nan 0.000 0.446 162 L N 4.935 126.024 121.223 -0.222 0.000 2.485 162 L HA -0.029 4.311 4.340 -0.000 0.000 0.279 162 L C 0.369 177.096 176.870 -0.239 0.000 1.124 162 L CA 0.797 55.451 54.840 -0.310 0.000 0.888 162 L CB 0.031 41.767 42.059 -0.538 0.000 1.217 162 L HN 0.930 nan 8.230 nan 0.000 0.464 163 T N 1.873 116.331 114.554 -0.160 0.000 3.558 163 T HA -0.170 4.180 4.350 -0.000 0.000 0.391 163 T C 1.139 175.748 174.700 -0.152 0.000 0.766 163 T CA 1.138 63.154 62.100 -0.140 0.000 1.951 163 T CB -2.318 66.456 68.868 -0.157 0.000 1.743 163 T HN 2.311 nan 8.240 nan 0.000 0.688 164 G N -0.847 107.878 108.800 -0.124 0.000 2.234 164 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 164 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 164 G C 0.064 174.900 174.900 -0.106 0.000 0.987 164 G CA -0.070 44.967 45.100 -0.104 0.000 0.625 164 G HN 0.988 nan 8.290 nan 0.000 0.532 165 L N 1.714 122.842 121.223 -0.159 0.000 2.477 165 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 165 L C 1.339 178.179 176.870 -0.051 0.000 1.157 165 L CA -0.077 54.668 54.840 -0.158 0.000 0.889 165 L CB 0.334 42.134 42.059 -0.431 0.000 1.158 165 L HN 0.245 nan 8.230 nan 0.000 0.473 166 L N 3.680 124.903 121.223 0.000 0.000 2.628 166 L HA -0.061 4.279 4.340 -0.000 0.000 0.274 166 L C 0.375 177.382 176.870 0.229 0.000 1.209 166 L CA 0.213 55.071 54.840 0.030 0.000 0.930 166 L CB -0.079 41.860 42.059 -0.199 0.000 1.183 166 L HN 0.551 nan 8.230 nan 0.000 0.492 167 D N 3.778 124.326 120.400 0.247 0.000 2.313 167 D HA 0.341 4.981 4.640 -0.000 0.000 0.239 167 D C -0.277 176.137 176.300 0.190 0.000 1.142 167 D CA -0.295 53.828 54.000 0.205 0.000 0.847 167 D CB 0.824 41.696 40.800 0.119 0.000 1.082 167 D HN 0.245 nan 8.370 nan 0.000 0.480 168 L N 2.412 123.629 121.223 -0.011 0.000 2.416 168 L HA 0.285 4.624 4.340 -0.000 0.000 0.272 168 L C 0.711 177.486 176.870 -0.159 0.000 1.161 168 L CA -0.658 53.987 54.840 -0.325 0.000 0.845 168 L CB 0.838 42.666 42.059 -0.386 0.000 1.119 168 L HN 0.476 nan 8.230 nan 0.000 0.464 169 A N 5.213 127.913 122.820 -0.200 0.000 2.915 169 A HA 0.282 4.602 4.320 -0.000 0.000 0.292 169 A C 1.076 178.643 177.584 -0.028 0.000 1.632 169 A CA -0.351 51.659 52.037 -0.046 0.000 1.337 169 A CB -0.511 18.481 19.000 -0.013 0.000 1.111 169 A HN 0.834 nan 8.150 nan 0.000 0.569 170 L N 0.959 122.187 121.223 0.008 0.000 2.633 170 L HA -0.104 4.236 4.340 -0.000 0.000 0.235 170 L C 2.465 179.359 176.870 0.039 0.000 1.163 170 L CA 1.018 55.870 54.840 0.021 0.000 0.859 170 L CB -0.235 41.857 42.059 0.054 0.000 0.973 170 L HN 0.873 nan 8.230 nan 0.000 0.451 171 E N 1.049 121.275 120.200 0.042 0.000 2.385 171 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 171 E C 0.314 176.926 176.600 0.020 0.000 1.013 171 E CA 0.106 56.518 56.400 0.020 0.000 0.866 171 E CB 0.163 29.861 29.700 -0.004 0.000 0.832 171 E HN 0.367 nan 8.360 nan 0.000 0.500 172 K N 1.620 122.041 120.400 0.036 0.000 2.322 172 K HA 0.028 4.348 4.320 -0.000 0.000 0.283 172 K C 0.165 176.803 176.600 0.063 0.000 1.042 172 K CA 0.119 56.442 56.287 0.061 0.000 0.958 172 K CB 1.126 33.686 32.500 0.100 0.000 0.984 172 K HN -0.077 nan 8.250 nan 0.000 0.473 173 D N 1.915 122.355 120.400 0.066 0.000 2.144 173 D HA -0.237 4.403 4.640 -0.000 0.000 0.199 173 D C 1.506 177.854 176.300 0.080 0.000 0.984 173 D CA 1.384 55.417 54.000 0.055 0.000 0.834 173 D CB 0.031 40.861 40.800 0.051 0.000 0.955 173 D HN 0.619 nan 8.370 nan 0.000 0.465 174 Y N 0.492 120.809 120.300 0.028 0.000 2.128 174 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 174 Y C 2.101 178.051 175.900 0.084 0.000 1.154 174 Y CA 1.536 59.666 58.100 0.050 0.000 1.149 174 Y CB -0.611 37.886 38.460 0.063 0.000 0.976 174 Y HN -0.072 nan 8.280 nan 0.000 0.505 175 V N 0.723 120.655 119.914 0.029 0.000 2.343 175 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 175 V C 2.414 178.466 176.094 -0.070 0.000 1.051 175 V CA 2.279 64.573 62.300 -0.011 0.000 1.036 175 V CB -0.633 31.189 31.823 -0.002 0.000 0.654 175 V HN 0.333 nan 8.190 nan 0.000 0.451 176 R N -0.120 120.347 120.500 -0.055 0.000 2.096 176 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 176 R C 2.575 178.810 176.300 -0.107 0.000 1.127 176 R CA 1.695 57.755 56.100 -0.067 0.000 0.968 176 R CB -0.433 29.845 30.300 -0.037 0.000 0.861 176 R HN 0.429 nan 8.270 nan 0.000 0.440 177 S N 0.360 115.984 115.700 -0.127 0.000 2.387 177 S HA -0.042 4.428 4.470 -0.000 0.000 0.226 177 S C 1.627 176.105 174.600 -0.203 0.000 1.026 177 S CA 0.920 59.035 58.200 -0.143 0.000 0.972 177 S CB 0.075 63.210 63.200 -0.108 0.000 0.814 177 S HN 0.158 nan 8.310 nan 0.000 0.477 178 K N 1.385 121.605 120.400 -0.299 0.000 2.097 178 K HA 0.138 4.458 4.320 -0.000 0.000 0.205 178 K C 1.837 178.289 176.600 -0.246 0.000 1.050 178 K CA 0.835 56.952 56.287 -0.283 0.000 0.938 178 K CB -0.583 31.694 32.500 -0.373 0.000 0.718 178 K HN 0.400 nan 8.250 nan 0.000 0.442 179 I N 0.769 121.206 120.570 -0.221 0.000 2.286 179 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 179 I C 2.286 178.247 176.117 -0.261 0.000 1.104 179 I CA 0.976 62.097 61.300 -0.298 0.000 1.397 179 I CB -0.267 37.618 38.000 -0.191 0.000 1.072 179 I HN 0.010 nan 8.210 nan 0.000 0.417 180 A N 0.120 122.811 122.820 -0.215 0.000 1.969 180 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 180 A C 2.297 179.753 177.584 -0.214 0.000 1.169 180 A CA 1.670 53.575 52.037 -0.220 0.000 0.635 180 A CB -0.574 18.326 19.000 -0.166 0.000 0.810 180 A HN 0.485 nan 8.150 nan 0.000 0.445 181 E N -1.358 118.741 120.200 -0.169 0.000 2.077 181 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 181 E C 1.820 178.370 176.600 -0.084 0.000 0.989 181 E CA 1.615 57.944 56.400 -0.119 0.000 0.800 181 E CB -0.329 29.313 29.700 -0.096 0.000 0.746 181 E HN 0.728 nan 8.360 nan 0.000 0.452 182 Y N 0.790 120.917 120.300 -0.287 0.000 2.163 182 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 182 Y C 2.059 177.852 175.900 -0.179 0.000 1.136 182 Y CA 1.869 59.801 58.100 -0.280 0.000 1.147 182 Y CB -0.341 37.738 38.460 -0.635 0.000 0.987 182 Y HN 0.008 nan 8.280 nan 0.000 0.509 183 M N 0.115 119.410 119.600 -0.509 0.000 2.175 183 M HA -0.199 4.281 4.480 -0.000 0.000 0.264 183 M C 1.682 177.827 176.300 -0.259 0.000 1.063 183 M CA 1.469 56.423 55.300 -0.576 0.000 1.119 183 M CB -0.359 31.799 32.600 -0.736 0.000 1.377 183 M HN 0.233 nan 8.290 nan 0.000 0.415 184 N N -0.403 118.133 118.700 -0.273 0.000 2.244 184 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 184 N C 1.541 176.979 175.510 -0.120 0.000 1.016 184 N CA 1.169 54.018 53.050 -0.334 0.000 0.866 184 N CB -0.493 37.592 38.487 -0.669 0.000 0.980 184 N HN 0.428 nan 8.380 nan 0.000 0.430 185 H N 0.910 119.891 119.070 -0.148 0.000 2.321 185 H HA 0.062 4.618 4.556 -0.000 0.000 0.300 185 H C 1.994 177.303 175.328 -0.031 0.000 1.087 185 H CA 1.444 57.459 56.048 -0.054 0.000 1.319 185 H CB -0.291 29.450 29.762 -0.034 0.000 1.379 185 H HN 0.091 nan 8.280 nan 0.000 0.501 186 L N -0.484 120.666 121.223 -0.122 0.000 2.056 186 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 186 L C 2.552 179.390 176.870 -0.055 0.000 1.078 186 L CA 1.123 55.896 54.840 -0.112 0.000 0.749 186 L CB -0.354 41.652 42.059 -0.089 0.000 0.901 186 L HN 0.309 nan 8.230 nan 0.000 0.433 187 I N 0.083 120.650 120.570 -0.006 0.000 2.163 187 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 187 I C 1.979 178.120 176.117 0.040 0.000 1.085 187 I CA 1.341 62.639 61.300 -0.004 0.000 1.347 187 I CB -0.401 37.621 38.000 0.037 0.000 1.044 187 I HN 0.278 nan 8.210 nan 0.000 0.408 188 D N 0.708 121.148 120.400 0.067 0.000 2.264 188 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 188 D C 2.148 178.502 176.300 0.090 0.000 0.966 188 D CA 1.094 55.161 54.000 0.113 0.000 0.864 188 D CB -0.119 40.764 40.800 0.139 0.000 0.933 188 D HN 0.382 nan 8.370 nan 0.000 0.499 189 I N -0.430 120.144 120.570 0.007 0.000 2.546 189 I HA -0.053 4.116 4.170 -0.000 0.000 0.255 189 I C 1.655 177.828 176.117 0.093 0.000 1.163 189 I CA 1.138 62.450 61.300 0.021 0.000 1.457 189 I CB 0.180 38.156 38.000 -0.040 0.000 1.092 189 I HN 0.164 nan 8.210 nan 0.000 0.434 190 G N 0.528 109.366 108.800 0.064 0.000 2.321 190 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.174 190 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.174 190 G C 0.288 175.117 174.900 -0.119 0.000 1.008 190 G CA -0.058 45.065 45.100 0.038 0.000 0.739 190 G HN 0.202 nan 8.290 nan 0.000 0.502 191 V N -0.567 119.231 119.914 -0.193 0.000 2.811 191 V HA 0.755 4.875 4.120 -0.000 0.000 0.302 191 V C 1.240 177.069 176.094 -0.442 0.000 1.063 191 V CA 0.889 62.979 62.300 -0.351 0.000 1.088 191 V CB 1.490 33.075 31.823 -0.396 0.000 0.982 191 V HN 1.300 nan 8.190 nan 0.000 0.485 192 A N 2.972 125.459 122.820 -0.554 0.000 2.220 192 A HA 0.759 5.079 4.320 -0.000 0.000 0.211 192 A C 1.171 178.554 177.584 -0.334 0.000 1.176 192 A CA 0.686 52.391 52.037 -0.554 0.000 0.834 192 A CB -0.509 18.224 19.000 -0.445 0.000 0.868 192 A HN 2.048 nan 8.150 nan 0.000 0.488 193 G N -2.028 106.513 108.800 -0.432 0.000 2.340 193 G HA2 0.485 4.445 3.960 -0.000 0.000 0.299 193 G HA3 0.485 4.445 3.960 -0.000 0.000 0.299 193 G C -1.584 172.952 174.900 -0.608 0.000 1.291 193 G CA -0.694 44.294 45.100 -0.186 0.000 0.841 193 G HN 0.200 nan 8.290 nan 0.000 0.500 194 F N -0.547 119.398 119.950 -0.008 0.000 2.631 194 F HA 0.676 5.203 4.527 -0.000 0.000 0.308 194 F C 0.163 175.576 175.800 -0.645 0.000 1.097 194 F CA -0.876 56.997 58.000 -0.211 0.000 0.952 194 F CB 2.544 41.418 39.000 -0.210 0.000 1.307 194 F HN 0.473 nan 8.300 nan 0.000 0.450 195 R N 3.097 123.291 120.500 -0.510 0.000 2.229 195 R HA 0.548 4.887 4.340 -0.000 0.000 0.332 195 R C -1.576 174.547 176.300 -0.294 0.000 0.989 195 R CA -0.416 55.153 56.100 -0.884 0.000 0.842 195 R CB 0.550 30.448 30.300 -0.670 0.000 1.119 195 R HN 0.780 nan 8.270 nan 0.000 0.456 196 L N 4.736 125.814 121.223 -0.242 0.000 2.282 196 L HA 0.172 4.512 4.340 -0.000 0.000 0.287 196 L C 0.110 176.965 176.870 -0.025 0.000 1.075 196 L CA -0.555 54.225 54.840 -0.100 0.000 0.839 196 L CB 0.810 42.814 42.059 -0.092 0.000 1.219 196 L HN 0.645 nan 8.230 nan 0.000 0.434 197 D N 3.620 124.050 120.400 0.049 0.000 2.455 197 D HA 0.255 4.895 4.640 -0.000 0.000 0.241 197 D C 0.896 177.277 176.300 0.135 0.000 1.138 197 D CA 0.695 54.780 54.000 0.143 0.000 0.877 197 D CB 0.874 41.832 40.800 0.264 0.000 1.187 197 D HN 0.733 nan 8.370 nan 0.000 0.451 198 A N 2.790 125.712 122.820 0.171 0.000 2.791 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.292 198 A C 1.798 179.456 177.584 0.124 0.000 1.487 198 A CA 1.105 53.285 52.037 0.238 0.000 0.760 198 A CB -2.100 17.113 19.000 0.354 0.000 1.031 198 A HN 0.445 nan 8.150 nan 0.000 0.503 199 S N -0.606 115.083 115.700 -0.019 0.000 2.423 199 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 199 S C 1.839 176.291 174.600 -0.246 0.000 1.014 199 S CA 1.425 59.543 58.200 -0.137 0.000 0.965 199 S CB -0.132 62.904 63.200 -0.275 0.000 0.785 199 S HN 0.857 nan 8.310 nan 0.000 0.495 200 K N 0.756 120.963 120.400 -0.322 0.000 2.209 200 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 200 K C 0.947 177.307 176.600 -0.401 0.000 1.048 200 K CA 1.168 57.235 56.287 -0.367 0.000 0.940 200 K CB -0.132 32.108 32.500 -0.433 0.000 0.729 200 K HN 0.454 nan 8.250 nan 0.000 0.451 201 H N -0.347 118.697 119.070 -0.043 0.000 2.524 201 H HA 0.190 4.746 4.556 -0.000 0.000 0.280 201 H C 0.033 175.297 175.328 -0.107 0.000 1.018 201 H CA 0.324 56.322 56.048 -0.082 0.000 1.165 201 H CB 0.042 29.794 29.762 -0.018 0.000 1.411 201 H HN 0.183 nan 8.280 nan 0.000 0.569 202 M N -0.378 119.214 119.600 -0.012 0.000 2.530 202 M HA 0.204 4.684 4.480 -0.000 0.000 0.307 202 M C -1.006 175.302 176.300 0.013 0.000 1.161 202 M CA -0.847 54.462 55.300 0.016 0.000 0.903 202 M CB 2.372 35.040 32.600 0.113 0.000 1.711 202 M HN -0.012 nan 8.290 nan 0.000 0.451 203 W N 2.245 123.595 121.300 0.083 0.000 2.253 203 W HA 0.237 4.896 4.660 -0.000 0.000 0.322 203 W C -1.738 174.767 176.519 -0.023 0.000 1.342 203 W CA -0.988 56.362 57.345 0.008 0.000 1.218 203 W CB -0.161 29.290 29.460 -0.016 0.000 1.205 203 W HN 0.486 nan 8.180 nan 0.000 0.551 204 P HA -0.225 nan 4.420 nan 0.000 0.217 204 P C 1.703 179.028 177.300 0.043 0.000 1.151 204 P CA 2.504 65.535 63.100 -0.114 0.000 0.849 204 P CB 0.077 31.538 31.700 -0.397 0.000 0.787 205 G N -0.720 108.124 108.800 0.074 0.000 2.422 205 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 205 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 205 G C 1.237 176.171 174.900 0.058 0.000 1.140 205 G CA 0.664 45.790 45.100 0.043 0.000 0.775 205 G HN 0.179 nan 8.290 nan 0.000 0.545 206 D N 0.605 121.076 120.400 0.118 0.000 2.123 206 D HA -0.026 4.614 4.640 -0.000 0.000 0.200 206 D C 2.558 178.900 176.300 0.070 0.000 0.976 206 D CA 0.306 54.365 54.000 0.098 0.000 0.831 206 D CB -0.098 40.802 40.800 0.167 0.000 0.974 206 D HN 0.337 nan 8.370 nan 0.000 0.469 207 I N 0.670 121.297 120.570 0.096 0.000 2.163 207 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 207 I C 2.325 178.461 176.117 0.031 0.000 1.085 207 I CA 1.028 62.368 61.300 0.066 0.000 1.347 207 I CB -0.102 37.974 38.000 0.125 0.000 1.044 207 I HN -0.076 nan 8.210 nan 0.000 0.408 208 K N 1.602 122.027 120.400 0.041 0.000 2.063 208 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 208 K C 2.050 178.652 176.600 0.002 0.000 1.048 208 K CA 1.773 58.073 56.287 0.021 0.000 0.928 208 K CB -0.401 32.115 32.500 0.027 0.000 0.713 208 K HN 0.282 nan 8.250 nan 0.000 0.442 209 A N 0.426 123.249 122.820 0.004 0.000 1.978 209 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 209 A C 2.195 179.766 177.584 -0.023 0.000 1.170 209 A CA 1.677 53.710 52.037 -0.007 0.000 0.636 209 A CB -0.617 18.381 19.000 -0.004 0.000 0.810 209 A HN 0.379 nan 8.150 nan 0.000 0.448 210 I N -0.566 119.985 120.570 -0.033 0.000 2.233 210 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 210 I C 2.194 178.261 176.117 -0.082 0.000 1.093 210 I CA 0.863 62.123 61.300 -0.068 0.000 1.380 210 I CB -0.289 37.659 38.000 -0.087 0.000 1.067 210 I HN 0.261 nan 8.210 nan 0.000 0.413 211 L N 0.335 121.517 121.223 -0.069 0.000 2.187 211 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 211 L C 1.754 178.598 176.870 -0.043 0.000 1.100 211 L CA 1.022 55.822 54.840 -0.068 0.000 0.765 211 L CB -0.701 41.328 42.059 -0.051 0.000 0.904 211 L HN 0.268 nan 8.230 nan 0.000 0.437 212 D N 0.240 120.623 120.400 -0.029 0.000 2.310 212 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 212 D C 1.826 178.120 176.300 -0.010 0.000 0.965 212 D CA 0.990 54.982 54.000 -0.013 0.000 0.879 212 D CB 0.111 40.906 40.800 -0.007 0.000 0.921 212 D HN 0.308 nan 8.370 nan 0.000 0.510 213 K N -0.336 120.046 120.400 -0.029 0.000 2.374 213 K HA 0.079 4.399 4.320 -0.000 0.000 0.196 213 K C 0.010 176.589 176.600 -0.034 0.000 1.023 213 K CA -0.357 55.914 56.287 -0.027 0.000 1.103 213 K CB 0.763 33.230 32.500 -0.054 0.000 0.848 213 K HN -0.036 nan 8.250 nan 0.000 0.528 214 L N 1.332 122.530 121.223 -0.042 0.000 2.371 214 L HA 0.151 4.490 4.340 -0.000 0.000 0.272 214 L C 0.430 177.343 176.870 0.072 0.000 1.124 214 L CA -0.070 54.737 54.840 -0.054 0.000 0.816 214 L CB 0.456 42.480 42.059 -0.057 0.000 1.129 214 L HN 0.136 nan 8.230 nan 0.000 0.448 215 H N 1.212 120.274 119.070 -0.013 0.000 2.603 215 H HA 0.181 4.737 4.556 -0.000 0.000 0.370 215 H C -0.013 175.307 175.328 -0.013 0.000 1.225 215 H CA -0.621 55.423 56.048 -0.007 0.000 1.410 215 H CB 0.706 30.470 29.762 0.002 0.000 1.495 215 H HN 0.601 nan 8.280 nan 0.000 0.602 216 N N 0.219 118.989 118.700 0.117 0.000 2.424 216 N HA 0.095 4.835 4.740 -0.000 0.000 0.257 216 N C -0.301 175.224 175.510 0.025 0.000 1.250 216 N CA -0.612 52.462 53.050 0.040 0.000 0.946 216 N CB 0.748 39.247 38.487 0.021 0.000 1.175 216 N HN 0.197 nan 8.380 nan 0.000 0.477 217 L N 1.008 122.192 121.223 -0.065 0.000 2.482 217 L HA 0.011 4.351 4.340 -0.000 0.000 0.273 217 L C 0.773 177.691 176.870 0.080 0.000 1.228 217 L CA -0.066 54.682 54.840 -0.154 0.000 0.827 217 L CB -0.021 41.656 42.059 -0.637 0.000 1.099 217 L HN 0.608 nan 8.230 nan 0.000 0.494 218 N N 0.060 118.891 118.700 0.217 0.000 2.374 218 N HA -0.092 4.648 4.740 -0.000 0.000 0.269 218 N C 1.060 176.778 175.510 0.347 0.000 1.310 218 N CA 0.184 53.422 53.050 0.313 0.000 0.877 218 N CB 0.631 39.387 38.487 0.447 0.000 1.096 218 N HN 0.616 nan 8.380 nan 0.000 0.484 219 S N 2.423 118.220 115.700 0.162 0.000 2.547 219 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 219 S C 1.129 175.738 174.600 0.017 0.000 0.980 219 S CA 0.277 58.538 58.200 0.102 0.000 0.941 219 S CB -0.041 63.182 63.200 0.038 0.000 0.763 219 S HN 0.623 nan 8.310 nan 0.000 0.532 220 N N -0.019 118.643 118.700 -0.063 0.000 2.457 220 N HA 0.053 4.792 4.740 -0.000 0.000 0.180 220 N C 0.520 175.767 175.510 -0.438 0.000 1.050 220 N CA 0.800 53.648 53.050 -0.336 0.000 0.906 220 N CB -0.016 38.097 38.487 -0.623 0.000 0.968 220 N HN 0.625 nan 8.380 nan 0.000 0.445 221 W N -0.690 120.545 121.300 -0.107 0.000 2.974 221 W HA 0.283 4.943 4.660 -0.000 0.000 0.250 221 W C -0.277 175.944 176.519 -0.496 0.000 1.074 221 W CA -0.159 56.962 57.345 -0.374 0.000 1.410 221 W CB 0.241 29.308 29.460 -0.655 0.000 0.846 221 W HN -0.190 nan 8.180 nan 0.000 0.680 222 F N 1.869 121.929 119.950 0.182 0.000 2.522 222 F HA 0.472 4.999 4.527 -0.000 0.000 0.324 222 F C -1.730 174.100 175.800 0.050 0.000 1.077 222 F CA -2.630 55.428 58.000 0.097 0.000 0.944 222 F CB 0.274 39.320 39.000 0.077 0.000 1.175 222 F HN -0.442 nan 8.300 nan 0.000 0.468 223 P HA 0.084 nan 4.420 nan 0.000 0.268 223 P C -0.695 176.670 177.300 0.109 0.000 1.208 223 P CA -0.291 62.880 63.100 0.118 0.000 0.777 223 P CB 0.437 32.191 31.700 0.091 0.000 0.875 224 A N 1.829 124.689 122.820 0.066 0.000 2.540 224 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 224 A C 1.482 179.091 177.584 0.041 0.000 1.061 224 A CA 0.733 52.799 52.037 0.048 0.000 0.758 224 A CB -1.356 17.660 19.000 0.027 0.000 0.991 224 A HN 0.936 nan 8.150 nan 0.000 0.502 225 G N 1.590 110.410 108.800 0.033 0.000 2.157 225 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.248 225 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.248 225 G C 0.437 175.350 174.900 0.021 0.000 0.979 225 G CA 0.325 45.439 45.100 0.024 0.000 0.650 225 G HN 1.160 nan 8.290 nan 0.000 0.529 226 S N 1.049 116.764 115.700 0.025 0.000 2.531 226 S HA 0.437 4.907 4.470 -0.000 0.000 0.279 226 S C 0.529 175.104 174.600 -0.043 0.000 1.305 226 S CA 0.097 58.295 58.200 -0.003 0.000 1.058 226 S CB 0.974 64.173 63.200 -0.002 0.000 0.899 226 S HN 0.411 nan 8.310 nan 0.000 0.493 227 K N 3.757 124.132 120.400 -0.040 0.000 2.156 227 K HA 0.407 4.727 4.320 -0.000 0.000 0.254 227 K C -2.539 174.030 176.600 -0.050 0.000 0.950 227 K CA -2.288 53.976 56.287 -0.038 0.000 0.849 227 K CB 1.077 33.562 32.500 -0.025 0.000 1.100 227 K HN 0.334 nan 8.250 nan 0.000 0.434 228 P HA -0.065 nan 4.420 nan 0.000 0.268 228 P C -0.517 176.844 177.300 0.102 0.000 1.205 228 P CA -0.168 62.928 63.100 -0.005 0.000 0.771 228 P CB 0.279 32.023 31.700 0.072 0.000 0.858 229 F N 4.520 124.454 119.950 -0.027 0.000 2.504 229 F HA 0.217 4.744 4.527 -0.000 0.000 0.369 229 F C -0.245 175.603 175.800 0.080 0.000 1.082 229 F CA -0.568 57.440 58.000 0.013 0.000 1.216 229 F CB -0.094 38.950 39.000 0.072 0.000 1.108 229 F HN 0.107 nan 8.300 nan 0.000 0.554 230 I N 8.713 129.101 120.570 -0.304 0.000 2.418 230 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 230 I C -1.146 174.711 176.117 -0.433 0.000 1.008 230 I CA -0.774 60.333 61.300 -0.322 0.000 1.104 230 I CB 1.104 39.018 38.000 -0.143 0.000 1.264 230 I HN 0.561 nan 8.210 nan 0.000 0.438 231 Y N 3.443 123.417 120.300 -0.543 0.000 2.338 231 Y HA 0.707 5.257 4.550 -0.000 0.000 0.333 231 Y C -0.620 175.185 175.900 -0.157 0.000 0.968 231 Y CA -1.213 56.664 58.100 -0.372 0.000 1.123 231 Y CB 0.909 39.102 38.460 -0.445 0.000 1.165 231 Y HN 0.482 nan 8.280 nan 0.000 0.452 232 Q N 2.764 122.579 119.800 0.025 0.000 2.278 232 Q HA 0.205 4.545 4.340 -0.000 0.000 0.257 232 Q C -0.653 175.363 176.000 0.026 0.000 0.928 232 Q CA -0.737 55.049 55.803 -0.029 0.000 0.932 232 Q CB 2.000 30.701 28.738 -0.061 0.000 1.221 232 Q HN 0.737 nan 8.270 nan 0.000 0.434 233 E N 3.057 123.277 120.200 0.033 0.000 2.166 233 E HA 0.186 4.536 4.350 -0.000 0.000 0.279 233 E C -1.325 175.306 176.600 0.052 0.000 1.095 233 E CA -0.192 56.299 56.400 0.152 0.000 0.888 233 E CB 0.516 30.328 29.700 0.186 0.000 1.041 233 E HN 0.316 nan 8.360 nan 0.000 0.414 234 V N 7.262 127.240 119.914 0.108 0.000 2.447 234 V HA 0.269 4.388 4.120 -0.000 0.000 0.292 234 V C -0.031 176.111 176.094 0.079 0.000 1.021 234 V CA -0.655 61.615 62.300 -0.050 0.000 0.850 234 V CB 1.437 33.129 31.823 -0.218 0.000 1.005 234 V HN 0.638 nan 8.190 nan 0.000 0.426 235 I N 4.260 124.757 120.570 -0.120 0.000 2.347 235 I HA 0.280 4.450 4.170 -0.000 0.000 0.294 235 I C -0.187 175.877 176.117 -0.088 0.000 1.090 235 I CA 0.414 61.554 61.300 -0.266 0.000 1.314 235 I CB 0.482 38.148 38.000 -0.557 0.000 1.423 235 I HN 0.554 nan 8.210 nan 0.000 0.503 236 D N 7.874 128.293 120.400 0.032 0.000 2.404 236 D HA 0.361 5.001 4.640 -0.000 0.000 0.267 236 D C -0.045 176.293 176.300 0.063 0.000 1.194 236 D CA -0.288 53.737 54.000 0.043 0.000 0.910 236 D CB 0.613 41.457 40.800 0.073 0.000 1.090 236 D HN 0.277 nan 8.370 nan 0.000 0.511 237 L N 0.778 122.021 121.223 0.033 0.000 2.718 237 L HA 0.603 4.943 4.340 -0.000 0.000 0.147 237 L C 1.708 178.608 176.870 0.050 0.000 1.748 237 L CA -0.816 54.056 54.840 0.053 0.000 2.748 237 L CB -0.540 41.540 42.059 0.035 0.000 2.984 237 L HN 0.273 nan 8.230 nan 0.000 0.700 238 G N -1.574 107.251 108.800 0.042 0.000 2.588 238 G HA2 0.368 4.328 3.960 -0.000 0.000 0.281 238 G HA3 0.368 4.328 3.960 -0.000 0.000 0.281 238 G C 0.428 175.341 174.900 0.021 0.000 1.236 238 G CA -0.127 44.994 45.100 0.034 0.000 0.969 238 G HN 0.856 nan 8.290 nan 0.000 0.504 239 G N -0.545 108.266 108.800 0.019 0.000 2.318 239 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.272 239 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.272 239 G C 0.189 175.101 174.900 0.020 0.000 0.845 239 G CA 1.069 46.178 45.100 0.016 0.000 1.153 239 G HN 0.639 nan 8.290 nan 0.000 0.460 240 E N -0.048 120.166 120.200 0.024 0.000 2.277 240 E HA 0.287 4.637 4.350 -0.000 0.000 0.266 240 E C -1.484 175.134 176.600 0.030 0.000 0.901 240 E CA -1.971 54.450 56.400 0.034 0.000 0.782 240 E CB 2.112 31.836 29.700 0.040 0.000 1.228 240 E HN 0.093 nan 8.360 nan 0.000 0.424 241 P HA 0.006 nan 4.420 nan 0.000 0.223 241 P C 0.335 177.645 177.300 0.017 0.000 1.151 241 P CA 0.882 63.995 63.100 0.022 0.000 0.787 241 P CB 0.443 32.156 31.700 0.021 0.000 0.788 242 I N 0.347 120.929 120.570 0.020 0.000 2.342 242 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 242 I C 0.517 176.661 176.117 0.045 0.000 1.010 242 I CA -0.461 60.856 61.300 0.027 0.000 1.308 242 I CB 0.917 38.930 38.000 0.021 0.000 1.400 242 I HN -0.265 nan 8.210 nan 0.000 0.488 243 K N 3.355 123.783 120.400 0.046 0.000 2.259 243 K HA 0.309 4.629 4.320 -0.000 0.000 0.249 243 K C 0.834 177.480 176.600 0.076 0.000 0.942 243 K CA -0.538 55.769 56.287 0.033 0.000 0.816 243 K CB 1.765 34.253 32.500 -0.020 0.000 1.155 243 K HN 0.611 nan 8.250 nan 0.000 0.428 244 S N -0.410 115.326 115.700 0.060 0.000 2.474 244 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 244 S C 1.699 176.198 174.600 -0.169 0.000 0.997 244 S CA 1.213 59.473 58.200 0.100 0.000 0.949 244 S CB -0.395 62.891 63.200 0.144 0.000 0.766 244 S HN 0.637 nan 8.310 nan 0.000 0.517 245 S N 2.080 117.473 115.700 -0.512 0.000 2.447 245 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 245 S C 1.164 175.313 174.600 -0.752 0.000 1.006 245 S CA 0.894 58.279 58.200 -1.359 0.000 0.957 245 S CB -0.551 62.195 63.200 -0.756 0.000 0.773 245 S HN 0.412 nan 8.310 nan 0.000 0.507 246 D N 0.671 120.881 120.400 -0.317 0.000 2.309 246 D HA -0.040 4.600 4.640 -0.000 0.000 0.212 246 D C 0.536 176.651 176.300 -0.308 0.000 0.968 246 D CA 0.963 54.796 54.000 -0.278 0.000 0.882 246 D CB -0.279 40.333 40.800 -0.314 0.000 0.918 246 D HN 0.631 nan 8.370 nan 0.000 0.503 247 Y N -1.088 119.153 120.300 -0.099 0.000 2.507 247 Y HA 0.131 4.681 4.550 -0.000 0.000 0.254 247 Y C 1.394 177.441 175.900 0.245 0.000 1.171 247 Y CA -0.467 57.671 58.100 0.065 0.000 1.238 247 Y CB 0.049 38.556 38.460 0.078 0.000 1.148 247 Y HN -0.177 nan 8.280 nan 0.000 0.525 248 F N -0.150 119.931 119.950 0.219 0.000 2.269 248 F HA -0.058 4.469 4.527 -0.000 0.000 0.301 248 F C 2.272 178.237 175.800 0.276 0.000 1.082 248 F CA 1.000 59.129 58.000 0.215 0.000 1.360 248 F CB -1.169 37.903 39.000 0.120 0.000 1.041 248 F HN 0.113 nan 8.300 nan 0.000 0.512 249 G N -0.728 108.301 108.800 0.382 0.000 2.679 249 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.212 249 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.212 249 G C 1.467 176.509 174.900 0.237 0.000 1.137 249 G CA 0.382 45.662 45.100 0.299 0.000 0.787 249 G HN 0.259 nan 8.290 nan 0.000 0.534 250 N N 0.084 118.922 118.700 0.229 0.000 2.414 250 N HA 0.246 4.986 4.740 -0.000 0.000 0.177 250 N C 1.107 176.609 175.510 -0.013 0.000 1.062 250 N CA 0.985 54.096 53.050 0.101 0.000 0.890 250 N CB 1.287 39.856 38.487 0.138 0.000 1.070 250 N HN 0.418 nan 8.380 nan 0.000 0.454 251 G N -0.191 108.683 108.800 0.123 0.000 2.368 251 G HA2 0.129 4.089 3.960 -0.000 0.000 0.269 251 G HA3 0.129 4.089 3.960 -0.000 0.000 0.269 251 G C -1.309 173.796 174.900 0.341 0.000 1.291 251 G CA -0.881 44.224 45.100 0.008 0.000 0.903 251 G HN -0.055 nan 8.290 nan 0.000 0.483 252 R N -0.948 119.689 120.500 0.227 0.000 2.649 252 R HA 0.594 4.934 4.340 -0.000 0.000 0.270 252 R C 0.041 176.457 176.300 0.193 0.000 1.105 252 R CA 0.077 56.303 56.100 0.208 0.000 1.193 252 R CB 1.240 31.630 30.300 0.150 0.000 1.120 252 R HN 0.994 nan 8.270 nan 0.000 0.561 253 V N -2.493 117.543 119.914 0.202 0.000 2.876 253 V HA 0.415 4.535 4.120 -0.000 0.000 0.312 253 V C 0.005 176.205 176.094 0.176 0.000 1.085 253 V CA -1.120 61.304 62.300 0.207 0.000 0.945 253 V CB 1.785 33.782 31.823 0.289 0.000 1.017 253 V HN 0.911 nan 8.190 nan 0.000 0.428 254 T N -0.099 114.574 114.554 0.198 0.000 2.834 254 T HA 0.378 4.728 4.350 -0.000 0.000 0.298 254 T C -0.079 174.694 174.700 0.122 0.000 0.966 254 T CA 0.039 62.251 62.100 0.186 0.000 1.141 254 T CB 0.837 69.831 68.868 0.209 0.000 0.905 254 T HN 1.007 nan 8.240 nan 0.000 0.535 255 E N 2.475 122.640 120.200 -0.059 0.000 1.986 255 E HA 0.299 4.649 4.350 -0.000 0.000 0.264 255 E C -0.419 175.972 176.600 -0.347 0.000 1.023 255 E CA -1.122 55.198 56.400 -0.133 0.000 0.834 255 E CB -0.554 29.049 29.700 -0.162 0.000 1.111 255 E HN 0.676 nan 8.360 nan 0.000 0.417 256 F N 2.480 122.354 119.950 -0.128 0.000 2.604 256 F HA 0.044 4.571 4.527 0.000 0.000 0.298 256 F C 1.630 177.318 175.800 -0.188 0.000 1.131 256 F CA 0.635 58.553 58.000 -0.136 0.000 1.457 256 F CB 0.241 39.261 39.000 0.032 0.000 1.095 256 F HN 0.367 nan 8.300 nan 0.000 0.574 257 K N -1.135 119.199 120.400 -0.110 0.000 2.296 257 K HA -0.164 4.156 4.320 -0.000 0.000 0.200 257 K C 1.636 177.987 176.600 -0.416 0.000 1.048 257 K CA 0.743 56.933 56.287 -0.162 0.000 0.966 257 K CB -0.267 32.179 32.500 -0.090 0.000 0.754 257 K HN 0.258 nan 8.250 nan 0.000 0.466 258 Y N 1.378 121.162 120.300 -0.860 0.000 2.070 258 Y HA -0.190 4.360 4.550 -0.000 0.000 0.279 258 Y C 2.408 178.164 175.900 -0.239 0.000 1.134 258 Y CA 2.040 59.658 58.100 -0.804 0.000 1.113 258 Y CB -0.672 37.324 38.460 -0.773 0.000 0.981 258 Y HN 0.026 nan 8.280 nan 0.000 0.487 259 G N -0.708 108.042 108.800 -0.083 0.000 2.422 259 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 259 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 259 G C 1.732 176.624 174.900 -0.015 0.000 1.140 259 G CA 0.767 45.849 45.100 -0.029 0.000 0.775 259 G HN 0.613 nan 8.290 nan 0.000 0.545 260 A N 0.726 123.550 122.820 0.008 0.000 1.898 260 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 260 A C 2.369 179.985 177.584 0.054 0.000 1.181 260 A CA 1.757 53.825 52.037 0.051 0.000 0.620 260 A CB -0.203 18.852 19.000 0.093 0.000 0.819 260 A HN 0.177 nan 8.150 nan 0.000 0.442 261 K N -0.716 119.753 120.400 0.115 0.000 2.116 261 K HA 0.055 4.374 4.320 -0.000 0.000 0.203 261 K C 1.787 178.407 176.600 0.033 0.000 1.052 261 K CA 0.680 57.097 56.287 0.216 0.000 0.952 261 K CB -0.820 31.978 32.500 0.498 0.000 0.729 261 K HN 0.396 nan 8.250 nan 0.000 0.446 262 L N 0.791 121.968 121.223 -0.076 0.000 2.083 262 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 262 L C 1.981 178.655 176.870 -0.327 0.000 1.083 262 L CA 1.930 56.527 54.840 -0.405 0.000 0.752 262 L CB -0.992 40.814 42.059 -0.422 0.000 0.899 262 L HN 0.236 nan 8.230 nan 0.000 0.433 263 G N -1.850 106.821 108.800 -0.215 0.000 2.402 263 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 263 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 263 G C 1.531 176.189 174.900 -0.402 0.000 1.162 263 G CA 1.246 46.183 45.100 -0.272 0.000 0.777 263 G HN 0.494 nan 8.290 nan 0.000 0.539 264 T N -1.006 113.382 114.554 -0.277 0.000 2.867 264 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 264 T C 2.280 176.887 174.700 -0.155 0.000 1.057 264 T CA 1.315 63.281 62.100 -0.224 0.000 1.136 264 T CB -0.302 68.615 68.868 0.082 0.000 0.874 264 T HN 0.006 nan 8.240 nan 0.000 0.466 265 V N 1.248 121.067 119.914 -0.159 0.000 2.307 265 V HA 0.012 4.132 4.120 -0.000 0.000 0.245 265 V C 2.659 178.588 176.094 -0.276 0.000 1.045 265 V CA 1.475 63.667 62.300 -0.180 0.000 1.024 265 V CB -0.534 31.109 31.823 -0.299 0.000 0.651 265 V HN 0.452 nan 8.190 nan 0.000 0.449 266 I N -0.566 119.788 120.570 -0.360 0.000 2.394 266 I HA -0.158 4.011 4.170 -0.000 0.000 0.251 266 I C 2.515 178.470 176.117 -0.270 0.000 1.136 266 I CA 1.291 62.385 61.300 -0.343 0.000 1.425 266 I CB -0.236 37.543 38.000 -0.368 0.000 1.079 266 I HN 0.169 nan 8.210 nan 0.000 0.425 267 R N 0.908 121.205 120.500 -0.338 0.000 2.275 267 R HA 0.039 4.378 4.340 -0.000 0.000 0.199 267 R C 0.216 176.452 176.300 -0.106 0.000 0.989 267 R CA 0.179 56.076 56.100 -0.338 0.000 1.016 267 R CB 0.062 29.828 30.300 -0.890 0.000 0.918 267 R HN 0.170 nan 8.270 nan 0.000 0.473 268 K N -0.561 119.786 120.400 -0.087 0.000 3.117 268 K HA -0.158 4.162 4.320 -0.000 0.000 0.269 268 K C -1.133 175.609 176.600 0.238 0.000 1.098 268 K CA 0.350 56.660 56.287 0.038 0.000 0.785 268 K CB -1.226 31.284 32.500 0.016 0.000 1.242 268 K HN 0.138 nan 8.250 nan 0.000 0.491 269 W N 2.530 123.823 121.300 -0.012 0.000 2.238 269 W HA 0.098 4.758 4.660 0.000 0.000 0.321 269 W C 0.981 177.513 176.519 0.021 0.000 1.293 269 W CA 0.186 57.533 57.345 0.004 0.000 1.204 269 W CB -0.389 29.076 29.460 0.008 0.000 1.167 269 W HN 0.468 nan 8.180 nan 0.000 0.553 270 N N 0.316 119.131 118.700 0.192 0.000 2.705 270 N HA -0.204 4.535 4.740 -0.000 0.000 0.255 270 N C 0.687 176.270 175.510 0.121 0.000 1.008 270 N CA 1.316 54.431 53.050 0.109 0.000 0.742 270 N CB -1.418 37.125 38.487 0.093 0.000 0.906 270 N HN 1.098 nan 8.380 nan 0.000 0.541 271 G N -1.898 106.970 108.800 0.113 0.000 2.189 271 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.267 271 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.267 271 G C -0.077 174.904 174.900 0.136 0.000 0.975 271 G CA 0.599 45.766 45.100 0.111 0.000 0.644 271 G HN 0.806 nan 8.290 nan 0.000 0.537 272 E N 0.812 121.106 120.200 0.156 0.000 2.398 272 E HA 0.429 4.779 4.350 -0.000 0.000 0.263 272 E C 0.535 177.089 176.600 -0.076 0.000 1.046 272 E CA 0.566 57.064 56.400 0.163 0.000 0.908 272 E CB 0.515 30.334 29.700 0.200 0.000 0.963 272 E HN 0.690 nan 8.360 nan 0.000 0.431 273 K N 1.456 121.659 120.400 -0.328 0.000 2.508 273 K HA 0.306 4.626 4.320 -0.000 0.000 0.260 273 K C 0.421 176.804 176.600 -0.362 0.000 0.949 273 K CA -0.825 55.225 56.287 -0.396 0.000 0.834 273 K CB 1.088 33.289 32.500 -0.498 0.000 1.365 273 K HN 0.327 nan 8.250 nan 0.000 0.437 274 M N 1.210 120.629 119.600 -0.303 0.000 2.267 274 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 274 M C 1.789 178.043 176.300 -0.076 0.000 1.063 274 M CA 2.121 57.246 55.300 -0.291 0.000 1.090 274 M CB -0.386 32.007 32.600 -0.345 0.000 1.392 274 M HN 0.878 nan 8.290 nan 0.000 0.422 275 S N -0.340 115.319 115.700 -0.069 0.000 2.442 275 S HA -0.159 4.311 4.470 -0.000 0.000 0.236 275 S C 1.450 176.223 174.600 0.288 0.000 1.007 275 S CA 0.852 59.152 58.200 0.168 0.000 0.965 275 S CB -0.692 62.538 63.200 0.049 0.000 0.773 275 S HN 0.446 nan 8.310 nan 0.000 0.504 276 Y N 1.499 121.879 120.300 0.134 0.000 2.561 276 Y HA 0.345 4.895 4.550 -0.000 0.000 0.291 276 Y C 1.656 177.719 175.900 0.272 0.000 1.141 276 Y CA -0.805 57.402 58.100 0.177 0.000 1.303 276 Y CB -0.744 37.847 38.460 0.219 0.000 1.015 276 Y HN 0.301 nan 8.280 nan 0.000 0.547 277 L N -0.259 121.070 121.223 0.176 0.000 2.650 277 L HA -0.051 4.289 4.340 -0.000 0.000 0.235 277 L C 2.269 178.966 176.870 -0.289 0.000 1.149 277 L CA 0.407 55.160 54.840 -0.145 0.000 0.887 277 L CB -0.296 41.422 42.059 -0.569 0.000 1.021 277 L HN 0.080 nan 8.230 nan 0.000 0.441 278 K N 1.799 121.900 120.400 -0.498 0.000 2.044 278 K HA -0.198 4.121 4.320 -0.000 0.000 0.210 278 K C 1.135 177.432 176.600 -0.505 0.000 1.049 278 K CA 1.884 57.511 56.287 -1.100 0.000 0.927 278 K CB 0.061 32.111 32.500 -0.749 0.000 0.713 278 K HN 0.432 nan 8.250 nan 0.000 0.443 279 N N -0.283 118.330 118.700 -0.144 0.000 2.453 279 N HA -0.069 4.671 4.740 -0.000 0.000 0.270 279 N C -0.630 174.920 175.510 0.067 0.000 1.195 279 N CA -0.482 52.543 53.050 -0.040 0.000 0.902 279 N CB -0.564 37.922 38.487 -0.001 0.000 1.186 279 N HN 0.263 nan 8.380 nan 0.000 0.510 280 W N 1.418 122.473 121.300 -0.409 0.000 2.231 280 W HA 0.327 4.986 4.660 -0.001 0.000 0.341 280 W C 0.498 176.623 176.519 -0.657 0.000 1.298 280 W CA 1.905 58.728 57.345 -0.870 0.000 1.266 280 W CB 0.461 29.366 29.460 -0.923 0.000 1.172 280 W HN 0.464 nan 8.180 nan 0.000 0.568 281 G N 3.854 111.866 108.800 -1.314 0.000 2.395 281 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.201 281 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.201 281 G C 0.336 174.799 174.900 -0.729 0.000 1.206 281 G CA 0.095 44.553 45.100 -1.069 0.000 1.210 281 G HN 0.468 nan 8.290 nan 0.000 0.557 282 E N 0.668 120.730 120.200 -0.230 0.000 2.160 282 E HA 0.036 4.386 4.350 -0.000 0.000 0.195 282 E C 2.535 179.041 176.600 -0.156 0.000 0.991 282 E CA 1.829 58.179 56.400 -0.084 0.000 0.810 282 E CB -0.562 29.166 29.700 0.046 0.000 0.742 282 E HN 0.827 nan 8.360 nan 0.000 0.466 283 G N -0.343 108.371 108.800 -0.145 0.000 2.479 283 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 283 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 283 G C 0.479 175.270 174.900 -0.182 0.000 1.115 283 G CA 0.445 45.479 45.100 -0.109 0.000 0.757 283 G HN 0.263 nan 8.290 nan 0.000 0.560 284 W N -0.055 120.838 121.300 -0.679 0.000 3.353 284 W HA 0.445 5.105 4.660 -0.000 0.000 0.304 284 W C 1.629 177.758 176.519 -0.650 0.000 1.273 284 W CA -0.297 56.565 57.345 -0.806 0.000 1.773 284 W CB -0.008 28.599 29.460 -1.421 0.000 1.095 284 W HN 0.305 nan 8.180 nan 0.000 0.676 285 G N -0.649 108.001 108.800 -0.251 0.000 2.132 285 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.234 285 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.234 285 G C 0.011 174.998 174.900 0.145 0.000 0.989 285 G CA -0.558 44.512 45.100 -0.050 0.000 0.676 285 G HN -0.013 nan 8.290 nan 0.000 0.522 286 F N 0.367 120.278 119.950 -0.066 0.000 2.378 286 F HA 0.605 5.132 4.527 -0.000 0.000 0.319 286 F C 1.466 177.322 175.800 0.093 0.000 1.155 286 F CA -1.355 56.611 58.000 -0.055 0.000 1.157 286 F CB 0.436 39.247 39.000 -0.315 0.000 1.252 286 F HN 0.340 nan 8.300 nan 0.000 0.550 287 V N -0.210 119.940 119.914 0.394 0.000 3.237 287 V HA 0.275 4.395 4.120 -0.000 0.000 0.305 287 V C -2.485 173.784 176.094 0.292 0.000 1.096 287 V CA -1.763 60.758 62.300 0.368 0.000 1.130 287 V CB -0.415 31.651 31.823 0.405 0.000 1.048 287 V HN 0.518 nan 8.190 nan 0.000 0.484 288 P HA 0.093 nan 4.420 nan 0.000 0.266 288 P C 0.962 178.186 177.300 -0.127 0.000 1.195 288 P CA 0.530 63.630 63.100 0.001 0.000 0.768 288 P CB 0.764 32.380 31.700 -0.140 0.000 0.838 289 S N 2.424 118.009 115.700 -0.191 0.000 2.374 289 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 289 S C 1.292 175.656 174.600 -0.393 0.000 1.037 289 S CA 2.027 59.879 58.200 -0.580 0.000 1.024 289 S CB -0.959 61.997 63.200 -0.408 0.000 0.861 289 S HN 0.641 nan 8.310 nan 0.000 0.456 290 D N -0.369 119.868 120.400 -0.271 0.000 2.378 290 D HA -0.026 4.614 4.640 -0.000 0.000 0.227 290 D C 1.286 177.431 176.300 -0.259 0.000 1.012 290 D CA 0.318 54.177 54.000 -0.236 0.000 0.905 290 D CB -0.234 40.434 40.800 -0.219 0.000 0.895 290 D HN 0.264 nan 8.370 nan 0.000 0.532 291 R N -0.202 120.112 120.500 -0.310 0.000 2.565 291 R HA 0.460 4.800 4.340 -0.000 0.000 0.347 291 R C -0.188 176.039 176.300 -0.121 0.000 1.010 291 R CA -0.228 55.699 56.100 -0.289 0.000 1.126 291 R CB 0.833 30.679 30.300 -0.757 0.000 1.331 291 R HN 0.181 nan 8.270 nan 0.000 0.552 292 A N 1.415 124.145 122.820 -0.150 0.000 2.317 292 A HA 0.549 4.868 4.320 -0.000 0.000 0.327 292 A C -0.706 176.839 177.584 -0.064 0.000 1.178 292 A CA -0.501 51.475 52.037 -0.101 0.000 0.817 292 A CB 1.083 19.953 19.000 -0.217 0.000 1.189 292 A HN 0.121 nan 8.150 nan 0.000 0.489 293 L N 5.109 126.325 121.223 -0.011 0.000 2.294 293 L HA 0.616 4.956 4.340 -0.000 0.000 0.283 293 L C -0.379 176.471 176.870 -0.034 0.000 1.015 293 L CA -0.315 54.526 54.840 0.003 0.000 0.831 293 L CB 0.761 42.797 42.059 -0.038 0.000 1.217 293 L HN 0.681 nan 8.230 nan 0.000 0.420 294 V N 3.245 123.059 119.914 -0.167 0.000 2.850 294 V HA 0.839 4.959 4.120 -0.000 0.000 0.315 294 V C -0.694 175.278 176.094 -0.203 0.000 1.064 294 V CA -0.596 61.412 62.300 -0.486 0.000 0.979 294 V CB 1.871 33.053 31.823 -1.069 0.000 1.039 294 V HN 0.710 nan 8.190 nan 0.000 0.452 295 F N -0.757 118.989 119.950 -0.340 0.000 2.744 295 F HA 0.737 5.264 4.527 -0.001 0.000 0.311 295 F C -0.014 175.796 175.800 0.017 0.000 1.144 295 F CA -0.869 57.042 58.000 -0.148 0.000 0.938 295 F CB 0.651 39.567 39.000 -0.139 0.000 1.292 295 F HN 0.251 nan 8.300 nan 0.000 0.444 296 V N 0.078 120.116 119.914 0.206 0.000 2.379 296 V HA 0.033 4.153 4.120 -0.000 0.000 0.243 296 V C 0.172 176.436 176.094 0.283 0.000 1.035 296 V CA 2.002 64.413 62.300 0.186 0.000 1.035 296 V CB -0.513 31.377 31.823 0.112 0.000 0.673 296 V HN 0.913 nan 8.190 nan 0.000 0.457 297 D N -0.389 120.263 120.400 0.420 0.000 2.552 297 D HA 0.308 4.948 4.640 -0.000 0.000 0.239 297 D C -0.980 175.523 176.300 0.338 0.000 1.139 297 D CA -0.636 53.598 54.000 0.390 0.000 0.914 297 D CB 1.824 42.801 40.800 0.294 0.000 1.461 297 D HN 0.282 nan 8.370 nan 0.000 0.462 298 N N -1.534 117.264 118.700 0.163 0.000 2.701 298 N HA 0.093 4.833 4.740 -0.000 0.000 0.290 298 N C 1.180 176.581 175.510 -0.183 0.000 1.338 298 N CA -0.490 52.503 53.050 -0.095 0.000 0.799 298 N CB 0.504 38.756 38.487 -0.392 0.000 1.491 298 N HN 0.594 nan 8.380 nan 0.000 0.540 299 H N -0.610 118.252 119.070 -0.347 0.000 2.457 299 H HA -0.022 4.534 4.556 -0.000 0.000 0.297 299 H C 0.077 174.985 175.328 -0.699 0.000 1.092 299 H CA 1.449 57.025 56.048 -0.786 0.000 1.309 299 H CB -0.138 28.808 29.762 -1.360 0.000 1.382 299 H HN 0.524 nan 8.280 nan 0.000 0.535 300 N N 0.948 119.062 118.700 -0.978 0.000 2.280 300 N HA -0.064 4.676 4.740 -0.000 0.000 0.192 300 N C 0.579 176.006 175.510 -0.138 0.000 1.109 300 N CA 0.497 53.195 53.050 -0.586 0.000 0.855 300 N CB 0.028 38.218 38.487 -0.494 0.000 0.974 300 N HN 0.657 nan 8.380 nan 0.000 0.482 301 N N -0.842 117.824 118.700 -0.057 0.000 2.143 301 N HA -0.050 4.690 4.740 -0.000 0.000 0.222 301 N C 0.971 176.555 175.510 0.124 0.000 1.264 301 N CA 0.088 53.199 53.050 0.102 0.000 0.897 301 N CB -0.392 38.213 38.487 0.197 0.000 1.092 301 N HN 0.265 nan 8.380 nan 0.000 0.516 302 Q N 0.902 120.741 119.800 0.066 0.000 2.432 302 Q HA 0.048 4.388 4.340 -0.000 0.000 0.205 302 Q C 0.978 177.144 176.000 0.278 0.000 0.945 302 Q CA 0.556 56.449 55.803 0.149 0.000 0.924 302 Q CB -0.130 28.677 28.738 0.115 0.000 1.016 302 Q HN 0.479 nan 8.270 nan 0.000 0.503 303 R N -0.524 120.099 120.500 0.206 0.000 2.546 303 R HA 0.405 4.745 4.340 -0.000 0.000 0.320 303 R C 0.609 177.111 176.300 0.336 0.000 1.021 303 R CA 0.206 56.513 56.100 0.345 0.000 1.088 303 R CB 0.337 30.713 30.300 0.128 0.000 1.278 303 R HN 0.214 nan 8.270 nan 0.000 0.557 304 G N 1.299 110.244 108.800 0.243 0.000 2.148 304 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 304 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 304 G C 0.471 175.411 174.900 0.066 0.000 0.981 304 G CA 0.463 45.655 45.100 0.153 0.000 0.670 304 G HN 0.597 nan 8.290 nan 0.000 0.528 305 H N 0.259 119.388 119.070 0.099 0.000 2.547 305 H HA 0.346 4.902 4.556 0.000 0.000 0.266 305 H C 1.547 176.896 175.328 0.034 0.000 0.988 305 H CA 1.294 57.402 56.048 0.099 0.000 1.147 305 H CB 0.681 30.549 29.762 0.176 0.000 1.365 305 H HN 0.707 nan 8.280 nan 0.000 0.589 306 G N -0.626 108.243 108.800 0.116 0.000 2.706 306 G HA2 0.450 4.410 3.960 -0.000 0.000 0.307 306 G HA3 0.450 4.410 3.960 -0.000 0.000 0.307 306 G C -1.130 173.780 174.900 0.016 0.000 1.307 306 G CA -0.279 44.837 45.100 0.027 0.000 0.790 306 G HN 0.240 nan 8.290 nan 0.000 0.503 307 A N -1.021 121.752 122.820 -0.078 0.000 2.591 307 A HA 0.483 4.803 4.320 -0.000 0.000 0.244 307 A C 1.575 179.240 177.584 0.135 0.000 1.031 307 A CA 1.971 53.983 52.037 -0.041 0.000 0.767 307 A CB -0.640 18.206 19.000 -0.258 0.000 0.942 307 A HN 2.756 nan 8.150 nan 0.000 0.514 308 G N 1.404 110.269 108.800 0.108 0.000 2.491 308 G HA2 0.265 4.225 3.960 -0.000 0.000 0.203 308 G HA3 0.265 4.225 3.960 -0.000 0.000 0.203 308 G C 1.613 176.586 174.900 0.121 0.000 1.052 308 G CA 0.835 46.012 45.100 0.128 0.000 0.675 308 G HN 2.942 nan 8.290 nan 0.000 0.504 309 G N 0.408 109.277 108.800 0.115 0.000 2.531 309 G HA2 0.145 4.105 3.960 -0.000 0.000 0.274 309 G HA3 0.145 4.105 3.960 -0.000 0.000 0.274 309 G C 1.435 176.429 174.900 0.156 0.000 1.159 309 G CA 2.432 47.607 45.100 0.125 0.000 0.969 309 G HN 2.039 nan 8.290 nan 0.000 0.554 310 A N -0.175 122.769 122.820 0.208 0.000 2.167 310 A HA 0.366 4.686 4.320 -0.000 0.000 0.214 310 A C 2.599 180.322 177.584 0.231 0.000 1.151 310 A CA 2.625 54.823 52.037 0.268 0.000 0.735 310 A CB -0.591 18.611 19.000 0.338 0.000 0.802 310 A HN 2.054 nan 8.150 nan 0.000 0.467 311 S N -0.312 115.453 115.700 0.109 0.000 2.461 311 S HA 0.096 4.566 4.470 -0.000 0.000 0.228 311 S C 0.766 175.233 174.600 -0.221 0.000 1.005 311 S CA -0.159 57.831 58.200 -0.350 0.000 0.942 311 S CB -0.428 62.638 63.200 -0.223 0.000 0.776 311 S HN 0.253 nan 8.310 nan 0.000 0.514 312 I N 2.955 123.510 120.570 -0.025 0.000 2.826 312 I HA 0.080 4.250 4.170 -0.000 0.000 0.295 312 I C 0.317 176.454 176.117 0.033 0.000 1.213 312 I CA -0.150 61.172 61.300 0.036 0.000 1.436 312 I CB -0.585 37.486 38.000 0.119 0.000 1.348 312 I HN 0.326 nan 8.210 nan 0.000 0.570 313 L N 6.844 128.110 121.223 0.073 0.000 2.334 313 L HA 0.458 4.798 4.340 -0.000 0.000 0.277 313 L C 0.641 177.636 176.870 0.209 0.000 1.075 313 L CA -0.225 54.699 54.840 0.140 0.000 0.804 313 L CB 1.563 43.733 42.059 0.184 0.000 1.174 313 L HN 0.800 nan 8.230 nan 0.000 0.438 314 T N -1.774 112.764 114.554 -0.025 0.000 2.804 314 T HA 0.336 4.686 4.350 -0.000 0.000 0.290 314 T C 0.798 174.993 174.700 -0.843 0.000 1.099 314 T CA -0.608 61.203 62.100 -0.482 0.000 1.011 314 T CB 0.736 69.463 68.868 -0.236 0.000 1.291 314 T HN 0.415 nan 8.240 nan 0.000 0.523 315 F N -1.008 118.387 119.950 -0.926 0.000 2.307 315 F HA 0.141 4.668 4.527 -0.000 0.000 0.301 315 F C 1.712 177.434 175.800 -0.130 0.000 1.076 315 F CA 0.161 57.865 58.000 -0.493 0.000 1.383 315 F CB -1.095 37.664 39.000 -0.401 0.000 1.055 315 F HN 0.567 nan 8.300 nan 0.000 0.526 316 W N 1.599 122.448 121.300 -0.752 0.000 2.392 316 W HA -0.117 4.543 4.660 0.000 0.000 0.279 316 W C 0.830 177.270 176.519 -0.132 0.000 1.225 316 W CA 0.926 58.008 57.345 -0.438 0.000 1.233 316 W CB -0.237 28.907 29.460 -0.525 0.000 1.122 316 W HN 0.011 nan 8.180 nan 0.000 0.561 317 D N 0.090 120.559 120.400 0.115 0.000 3.071 317 D HA 0.235 4.874 4.640 -0.000 0.000 0.259 317 D C 1.544 177.975 176.300 0.220 0.000 1.331 317 D CA 0.325 54.409 54.000 0.140 0.000 0.861 317 D CB 0.118 40.980 40.800 0.105 0.000 1.059 317 D HN 0.038 nan 8.370 nan 0.000 0.486 318 A N 1.377 124.351 122.820 0.256 0.000 1.906 318 A HA -0.346 3.974 4.320 -0.000 0.000 0.222 318 A C 2.199 179.972 177.584 0.315 0.000 1.282 318 A CA 1.872 54.117 52.037 0.346 0.000 0.675 318 A CB -0.469 18.625 19.000 0.157 0.000 0.838 318 A HN 0.316 nan 8.150 nan 0.000 0.469 319 R N -0.686 119.929 120.500 0.193 0.000 2.073 319 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 319 R C 2.134 178.539 176.300 0.175 0.000 1.134 319 R CA 1.737 57.939 56.100 0.170 0.000 0.952 319 R CB -0.366 30.000 30.300 0.109 0.000 0.850 319 R HN 0.575 nan 8.270 nan 0.000 0.433 320 L N -0.749 120.556 121.223 0.138 0.000 2.156 320 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 320 L C 2.215 179.147 176.870 0.103 0.000 1.095 320 L CA 0.749 55.629 54.840 0.067 0.000 0.770 320 L CB -0.509 41.559 42.059 0.016 0.000 0.914 320 L HN 0.271 nan 8.230 nan 0.000 0.439 321 Y N 1.407 121.757 120.300 0.083 0.000 2.145 321 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 321 Y C 2.547 178.530 175.900 0.139 0.000 1.145 321 Y CA 1.534 59.702 58.100 0.114 0.000 1.148 321 Y CB -0.097 38.486 38.460 0.205 0.000 0.981 321 Y HN -0.012 nan 8.280 nan 0.000 0.507 322 K N -0.508 120.048 120.400 0.259 0.000 2.097 322 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 322 K C 2.280 178.869 176.600 -0.019 0.000 1.049 322 K CA 1.882 58.313 56.287 0.241 0.000 0.933 322 K CB -0.279 32.500 32.500 0.465 0.000 0.717 322 K HN 0.396 nan 8.250 nan 0.000 0.442 323 M N 0.220 119.715 119.600 -0.176 0.000 2.132 323 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 323 M C 2.107 178.169 176.300 -0.396 0.000 1.065 323 M CA 1.495 56.442 55.300 -0.589 0.000 1.122 323 M CB -0.013 32.380 32.600 -0.346 0.000 1.365 323 M HN 0.191 nan 8.290 nan 0.000 0.411 324 A N -0.705 121.947 122.820 -0.281 0.000 1.898 324 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 324 A C 2.003 179.489 177.584 -0.163 0.000 1.181 324 A CA 1.668 53.553 52.037 -0.254 0.000 0.620 324 A CB -0.999 17.873 19.000 -0.213 0.000 0.819 324 A HN 0.378 nan 8.150 nan 0.000 0.442 325 V N -0.065 119.706 119.914 -0.239 0.000 2.427 325 V HA -0.151 3.968 4.120 -0.000 0.000 0.248 325 V C 2.785 178.851 176.094 -0.047 0.000 1.051 325 V CA 1.823 64.018 62.300 -0.175 0.000 1.048 325 V CB -1.366 30.284 31.823 -0.288 0.000 0.666 325 V HN 0.608 nan 8.190 nan 0.000 0.456 326 G N -0.801 107.965 108.800 -0.056 0.000 2.421 326 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 326 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 326 G C 1.578 176.533 174.900 0.092 0.000 1.171 326 G CA 1.000 46.106 45.100 0.010 0.000 0.775 326 G HN 0.484 nan 8.290 nan 0.000 0.543 327 F N 0.956 120.905 119.950 -0.002 0.000 2.134 327 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 327 F C 2.629 178.502 175.800 0.122 0.000 1.097 327 F CA 2.056 60.086 58.000 0.051 0.000 1.264 327 F CB -0.075 38.662 39.000 -0.438 0.000 1.001 327 F HN 0.171 nan 8.300 nan 0.000 0.479 328 M N -0.100 119.628 119.600 0.212 0.000 2.086 328 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 328 M C 1.868 178.250 176.300 0.137 0.000 1.067 328 M CA 1.887 57.349 55.300 0.271 0.000 1.116 328 M CB -0.419 32.347 32.600 0.276 0.000 1.348 328 M HN 0.282 nan 8.290 nan 0.000 0.407 329 L N 0.050 121.309 121.223 0.060 0.000 2.291 329 L HA -0.064 4.276 4.340 -0.000 0.000 0.214 329 L C 2.569 179.487 176.870 0.081 0.000 1.120 329 L CA 0.778 55.635 54.840 0.028 0.000 0.799 329 L CB -0.704 41.351 42.059 -0.008 0.000 0.925 329 L HN 0.440 nan 8.230 nan 0.000 0.446 330 A N -2.168 120.685 122.820 0.055 0.000 2.030 330 A HA -0.055 4.264 4.320 -0.000 0.000 0.215 330 A C 1.152 178.956 177.584 0.367 0.000 1.164 330 A CA 0.130 52.268 52.037 0.168 0.000 0.697 330 A CB -0.297 18.621 19.000 -0.136 0.000 0.827 330 A HN 0.282 nan 8.150 nan 0.000 0.457 331 H N 0.976 120.116 119.070 0.116 0.000 2.683 331 H HA 0.164 4.720 4.556 -0.000 0.000 0.339 331 H C -1.642 173.749 175.328 0.105 0.000 1.081 331 H CA -1.352 54.709 56.048 0.021 0.000 1.432 331 H CB 1.485 31.067 29.762 -0.299 0.000 1.462 331 H HN 0.098 nan 8.280 nan 0.000 0.557 332 P HA -0.168 nan 4.420 nan 0.000 0.222 332 P C 0.310 177.673 177.300 0.105 0.000 1.147 332 P CA 0.778 63.854 63.100 -0.039 0.000 0.790 332 P CB -0.177 31.455 31.700 -0.113 0.000 0.780 333 Y N 2.071 122.513 120.300 0.238 0.000 2.620 333 Y HA 0.312 4.861 4.550 -0.000 0.000 0.330 333 Y C 1.359 177.304 175.900 0.074 0.000 1.186 333 Y CA 1.213 59.429 58.100 0.194 0.000 1.467 333 Y CB -0.289 38.338 38.460 0.279 0.000 1.262 333 Y HN 0.296 nan 8.280 nan 0.000 0.550 334 G N 4.613 113.022 108.800 -0.652 0.000 2.801 334 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.244 334 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.244 334 G C -1.205 173.607 174.900 -0.147 0.000 1.385 334 G CA -0.136 44.673 45.100 -0.485 0.000 0.894 334 G HN 0.924 nan 8.290 nan 0.000 0.562 335 F N 1.891 121.696 119.950 -0.242 0.000 2.415 335 F HA 0.628 5.155 4.527 -0.000 0.000 0.348 335 F C 1.169 176.861 175.800 -0.181 0.000 1.119 335 F CA 0.088 57.977 58.000 -0.186 0.000 1.069 335 F CB 1.468 40.365 39.000 -0.172 0.000 1.124 335 F HN 0.809 nan 8.300 nan 0.000 0.472 336 T N 4.107 118.260 114.554 -0.668 0.000 2.845 336 T HA 0.445 4.795 4.350 -0.000 0.000 0.288 336 T C -0.401 174.049 174.700 -0.417 0.000 0.980 336 T CA -0.915 60.925 62.100 -0.434 0.000 1.071 336 T CB 1.471 70.141 68.868 -0.330 0.000 0.941 336 T HN 0.783 nan 8.240 nan 0.000 0.487 337 R N 2.229 122.628 120.500 -0.169 0.000 2.437 337 R HA 0.587 4.926 4.340 -0.000 0.000 0.310 337 R C -1.452 174.855 176.300 0.012 0.000 0.955 337 R CA -0.707 55.345 56.100 -0.081 0.000 0.851 337 R CB 1.390 31.648 30.300 -0.070 0.000 1.161 337 R HN 0.608 nan 8.270 nan 0.000 0.446 338 V N 5.639 125.575 119.914 0.037 0.000 2.439 338 V HA 0.285 4.405 4.120 -0.000 0.000 0.282 338 V C 0.297 176.456 176.094 0.108 0.000 1.039 338 V CA -0.652 61.703 62.300 0.092 0.000 0.913 338 V CB 1.406 33.324 31.823 0.157 0.000 0.983 338 V HN 0.787 nan 8.190 nan 0.000 0.460 339 M N 4.246 123.929 119.600 0.139 0.000 2.249 339 M HA 0.467 4.947 4.480 -0.000 0.000 0.351 339 M C -0.089 176.252 176.300 0.068 0.000 1.180 339 M CA 0.676 56.054 55.300 0.129 0.000 1.127 339 M CB 1.388 34.100 32.600 0.187 0.000 1.546 339 M HN 0.619 nan 8.290 nan 0.000 0.461 340 S N 2.616 118.323 115.700 0.011 0.000 2.733 340 S HA 0.797 5.266 4.470 -0.000 0.000 0.294 340 S C -1.158 173.515 174.600 0.123 0.000 1.149 340 S CA -0.575 57.638 58.200 0.021 0.000 1.034 340 S CB 0.521 63.643 63.200 -0.129 0.000 1.015 340 S HN 0.877 nan 8.310 nan 0.000 0.486 341 S N 3.272 119.033 115.700 0.103 0.000 2.841 341 S HA 0.848 5.318 4.470 -0.000 0.000 0.318 341 S C -1.201 173.518 174.600 0.199 0.000 1.127 341 S CA -0.854 57.441 58.200 0.158 0.000 0.883 341 S CB 0.641 63.840 63.200 -0.002 0.000 1.271 341 S HN 0.780 nan 8.310 nan 0.000 0.567 342 Y N -0.972 119.414 120.300 0.143 0.000 2.524 342 Y HA 0.794 5.344 4.550 -0.000 0.000 0.344 342 Y C -0.291 175.622 175.900 0.022 0.000 1.012 342 Y CA -1.426 56.633 58.100 -0.068 0.000 1.068 342 Y CB 0.877 39.136 38.460 -0.336 0.000 1.249 342 Y HN 0.542 nan 8.280 nan 0.000 0.468 343 R N 1.575 122.149 120.500 0.124 0.000 2.490 343 R HA 0.441 4.781 4.340 -0.000 0.000 0.278 343 R C -1.429 175.205 176.300 0.557 0.000 1.069 343 R CA -0.359 55.870 56.100 0.216 0.000 1.080 343 R CB 0.862 31.181 30.300 0.031 0.000 1.030 343 R HN 0.958 nan 8.270 nan 0.000 0.491 344 W N 1.467 123.026 121.300 0.432 0.000 3.031 344 W HA 0.498 5.158 4.660 -0.001 0.000 0.337 344 W C -2.603 174.090 176.519 0.290 0.000 1.187 344 W CA -2.610 54.918 57.345 0.305 0.000 1.166 344 W CB 0.339 29.963 29.460 0.274 0.000 1.437 344 W HN 0.303 nan 8.180 nan 0.000 0.551 345 P HA 0.152 nan 4.420 nan 0.000 0.263 345 P C -0.235 177.029 177.300 -0.059 0.000 1.601 345 P CA 0.034 63.163 63.100 0.047 0.000 1.161 345 P CB 0.365 32.110 31.700 0.075 0.000 1.730 346 R N 2.760 123.015 120.500 -0.407 0.000 2.570 346 R HA 0.137 4.477 4.340 -0.000 0.000 0.277 346 R C 0.471 176.588 176.300 -0.305 0.000 1.039 346 R CA 0.325 56.133 56.100 -0.487 0.000 1.065 346 R CB 0.502 30.237 30.300 -0.942 0.000 0.964 346 R HN 0.492 nan 8.270 nan 0.000 0.428 347 Q N 3.691 123.312 119.800 -0.300 0.000 2.786 347 Q HA 0.185 4.524 4.340 -0.000 0.000 0.240 347 Q C -1.304 174.583 176.000 -0.188 0.000 0.928 347 Q CA -0.312 55.401 55.803 -0.150 0.000 0.721 347 Q CB 1.207 29.929 28.738 -0.027 0.000 1.318 347 Q HN 0.411 nan 8.270 nan 0.000 0.474 348 F N 1.773 121.708 119.950 -0.025 0.000 2.472 348 F HA 0.200 4.726 4.527 -0.001 0.000 0.364 348 F C 0.793 176.599 175.800 0.010 0.000 1.090 348 F CA 0.280 58.275 58.000 -0.008 0.000 1.188 348 F CB 0.852 39.828 39.000 -0.041 0.000 1.105 348 F HN 0.206 nan 8.300 nan 0.000 0.536 349 Q N 3.055 122.965 119.800 0.184 0.000 2.320 349 Q HA 0.274 4.614 4.340 -0.000 0.000 0.268 349 Q C -0.455 175.619 176.000 0.122 0.000 1.023 349 Q CA -0.738 55.140 55.803 0.126 0.000 0.744 349 Q CB 1.319 30.110 28.738 0.090 0.000 1.246 349 Q HN 0.594 nan 8.270 nan 0.000 0.462 350 N N 1.699 120.458 118.700 0.098 0.000 2.754 350 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 350 N C 0.494 176.058 175.510 0.089 0.000 1.093 350 N CA 1.452 54.546 53.050 0.073 0.000 0.699 350 N CB -1.131 37.390 38.487 0.057 0.000 1.016 350 N HN 1.109 nan 8.380 nan 0.000 0.552 351 G N -0.965 107.911 108.800 0.126 0.000 2.179 351 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 351 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 351 G C -0.117 174.965 174.900 0.303 0.000 0.977 351 G CA 0.623 45.803 45.100 0.132 0.000 0.641 351 G HN 0.990 nan 8.290 nan 0.000 0.533 352 N N -0.100 118.785 118.700 0.308 0.000 2.321 352 N HA 0.498 5.237 4.740 -0.000 0.000 0.299 352 N C -1.088 174.490 175.510 0.113 0.000 1.048 352 N CA -0.622 52.578 53.050 0.249 0.000 0.836 352 N CB 1.926 40.487 38.487 0.123 0.000 1.269 352 N HN 0.007 nan 8.380 nan 0.000 0.486 353 D N 2.056 122.370 120.400 -0.143 0.000 2.352 353 D HA 0.014 4.653 4.640 -0.000 0.000 0.245 353 D C 1.164 177.432 176.300 -0.054 0.000 1.224 353 D CA -0.674 53.066 54.000 -0.433 0.000 0.879 353 D CB 1.003 41.446 40.800 -0.595 0.000 1.057 353 D HN 0.471 nan 8.370 nan 0.000 0.491 354 V N 1.847 121.772 119.914 0.019 0.000 3.380 354 V HA 0.082 4.202 4.120 -0.000 0.000 0.268 354 V C 0.662 176.942 176.094 0.310 0.000 1.168 354 V CA 0.676 63.081 62.300 0.175 0.000 1.156 354 V CB -0.463 31.460 31.823 0.167 0.000 0.785 354 V HN 0.336 nan 8.190 nan 0.000 0.487 355 N N 1.825 120.623 118.700 0.164 0.000 2.321 355 N HA 0.094 4.834 4.740 -0.000 0.000 0.242 355 N C 0.811 176.254 175.510 -0.113 0.000 1.141 355 N CA 0.716 53.759 53.050 -0.013 0.000 0.864 355 N CB 0.231 38.745 38.487 0.045 0.000 1.100 355 N HN 0.809 nan 8.380 nan 0.000 0.510 356 D N -0.653 119.839 120.400 0.153 0.000 2.363 356 D HA -0.121 4.519 4.640 -0.000 0.000 0.226 356 D C 1.529 178.117 176.300 0.479 0.000 1.020 356 D CA 0.132 54.295 54.000 0.272 0.000 0.892 356 D CB -0.435 40.672 40.800 0.511 0.000 0.900 356 D HN 0.473 nan 8.370 nan 0.000 0.531 357 W N 0.692 122.258 121.300 0.444 0.000 2.812 357 W HA 0.275 4.934 4.660 -0.000 0.000 0.263 357 W C -0.187 176.435 176.519 0.172 0.000 1.284 357 W CA -0.585 56.978 57.345 0.364 0.000 1.430 357 W CB -0.752 28.893 29.460 0.308 0.000 1.088 357 W HN -0.303 nan 8.180 nan 0.000 0.623 358 V N 3.481 122.946 119.914 -0.748 0.000 2.625 358 V HA 0.098 4.218 4.120 -0.000 0.000 0.305 358 V C 1.460 177.551 176.094 -0.005 0.000 1.055 358 V CA 1.053 62.960 62.300 -0.655 0.000 1.209 358 V CB -0.428 31.028 31.823 -0.611 0.000 0.877 358 V HN 0.180 nan 8.190 nan 0.000 0.489 359 G N 6.821 115.603 108.800 -0.029 0.000 2.535 359 G HA2 0.454 4.414 3.960 -0.000 0.000 0.282 359 G HA3 0.454 4.414 3.960 -0.000 0.000 0.282 359 G C -2.335 172.250 174.900 -0.526 0.000 1.350 359 G CA -1.020 44.032 45.100 -0.081 0.000 1.039 359 G HN 0.643 nan 8.290 nan 0.000 0.509 360 P HA 0.165 nan 4.420 nan 0.000 0.270 360 P C -2.616 174.182 177.300 -0.836 0.000 1.223 360 P CA -0.937 61.321 63.100 -1.404 0.000 0.785 360 P CB -0.086 31.138 31.700 -0.793 0.000 0.923 361 P HA 0.021 nan 4.420 nan 0.000 0.263 361 P C -0.290 176.816 177.300 -0.323 0.000 1.175 361 P CA 0.752 63.516 63.100 -0.560 0.000 0.761 361 P CB -0.205 31.046 31.700 -0.749 0.000 0.794 362 N N 0.678 119.278 118.700 -0.166 0.000 2.927 362 N HA 0.359 5.099 4.740 -0.000 0.000 0.248 362 N C -1.645 173.861 175.510 -0.007 0.000 1.443 362 N CA -1.059 51.951 53.050 -0.067 0.000 0.870 362 N CB 1.043 39.510 38.487 -0.033 0.000 1.444 362 N HN 0.078 nan 8.380 nan 0.000 0.519 363 N N 0.345 119.057 118.700 0.020 0.000 2.569 363 N HA 0.397 5.137 4.740 -0.000 0.000 0.254 363 N C -1.064 174.491 175.510 0.074 0.000 1.004 363 N CA -0.808 52.261 53.050 0.033 0.000 0.904 363 N CB 0.757 39.253 38.487 0.015 0.000 1.165 363 N HN 0.599 nan 8.380 nan 0.000 0.513 364 N N 1.847 120.609 118.700 0.104 0.000 2.747 364 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 364 N C 0.804 176.516 175.510 0.337 0.000 1.107 364 N CA 1.143 54.292 53.050 0.164 0.000 0.707 364 N CB -0.968 37.576 38.487 0.096 0.000 1.054 364 N HN 0.979 nan 8.380 nan 0.000 0.555 365 G N -1.893 107.135 108.800 0.379 0.000 2.234 365 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.235 365 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.235 365 G C 0.010 174.926 174.900 0.027 0.000 0.997 365 G CA 0.171 45.386 45.100 0.192 0.000 0.623 365 G HN 0.399 nan 8.290 nan 0.000 0.514 366 V N 3.231 123.174 119.914 0.048 0.000 2.408 366 V HA 0.388 4.508 4.120 -0.000 0.000 0.267 366 V C 1.331 177.411 176.094 -0.023 0.000 1.047 366 V CA -0.549 61.751 62.300 -0.000 0.000 0.937 366 V CB 1.012 32.844 31.823 0.014 0.000 0.999 366 V HN 0.353 nan 8.190 nan 0.000 0.472 367 I N 5.128 125.665 120.570 -0.055 0.000 2.752 367 I HA -0.005 4.165 4.170 -0.000 0.000 0.289 367 I C 0.953 177.071 176.117 0.002 0.000 1.197 367 I CA 0.360 61.633 61.300 -0.045 0.000 1.432 367 I CB 0.136 38.105 38.000 -0.052 0.000 1.359 367 I HN 0.591 nan 8.210 nan 0.000 0.571 368 K N 6.141 126.564 120.400 0.038 0.000 2.258 368 K HA 0.103 4.422 4.320 -0.000 0.000 0.264 368 K C 0.205 176.892 176.600 0.145 0.000 1.007 368 K CA -0.576 55.756 56.287 0.075 0.000 0.941 368 K CB 0.545 33.074 32.500 0.048 0.000 0.966 368 K HN 0.500 nan 8.250 nan 0.000 0.480 369 E N 1.264 121.486 120.200 0.037 0.000 2.373 369 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 369 E C -0.469 176.049 176.600 -0.136 0.000 1.073 369 E CA -0.489 55.855 56.400 -0.092 0.000 0.894 369 E CB 0.631 30.279 29.700 -0.088 0.000 1.008 369 E HN 0.083 nan 8.360 nan 0.000 0.420 370 V N 2.900 122.492 119.914 -0.535 0.000 2.405 370 V HA 0.099 4.219 4.120 -0.000 0.000 0.264 370 V C 0.557 176.469 176.094 -0.304 0.000 1.048 370 V CA -0.155 61.711 62.300 -0.724 0.000 0.966 370 V CB 0.165 31.118 31.823 -1.450 0.000 1.015 370 V HN 0.788 nan 8.190 nan 0.000 0.477 371 T N 4.213 118.700 114.554 -0.112 0.000 2.875 371 T HA 0.673 5.023 4.350 -0.000 0.000 0.284 371 T C -0.470 174.203 174.700 -0.045 0.000 0.995 371 T CA -0.766 61.299 62.100 -0.059 0.000 1.060 371 T CB 1.505 70.366 68.868 -0.011 0.000 0.967 371 T HN 0.221 nan 8.240 nan 0.000 0.476 372 I N 3.132 123.680 120.570 -0.035 0.000 2.354 372 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 372 I C 0.189 176.304 176.117 -0.003 0.000 0.989 372 I CA -1.032 60.255 61.300 -0.022 0.000 1.188 372 I CB 1.148 39.136 38.000 -0.020 0.000 1.342 372 I HN 0.686 nan 8.210 nan 0.000 0.457 373 N N 8.285 126.988 118.700 0.003 0.000 2.445 373 N HA 0.281 5.021 4.740 -0.000 0.000 0.264 373 N C -1.493 174.025 175.510 0.014 0.000 1.227 373 N CA -1.385 51.671 53.050 0.010 0.000 0.963 373 N CB 0.666 39.161 38.487 0.013 0.000 1.188 373 N HN 0.345 nan 8.380 nan 0.000 0.491 374 P HA -0.145 nan 4.420 nan 0.000 0.218 374 P C 0.222 177.536 177.300 0.024 0.000 1.146 374 P CA 1.383 64.495 63.100 0.019 0.000 0.813 374 P CB 0.205 31.915 31.700 0.015 0.000 0.778 375 D N -1.495 118.917 120.400 0.022 0.000 2.339 375 D HA -0.032 4.608 4.640 -0.000 0.000 0.217 375 D C 0.636 176.958 176.300 0.036 0.000 1.050 375 D CA 1.247 55.262 54.000 0.026 0.000 0.856 375 D CB -0.468 40.342 40.800 0.015 0.000 0.922 375 D HN 0.260 nan 8.370 nan 0.000 0.518 376 T N -2.789 111.783 114.554 0.031 0.000 5.983 376 T HA -0.253 4.097 4.350 -0.000 0.000 0.274 376 T C 0.669 175.362 174.700 -0.011 0.000 2.195 376 T CA 1.429 63.542 62.100 0.023 0.000 3.709 376 T CB -2.833 66.077 68.868 0.070 0.000 0.873 376 T HN 0.471 nan 8.240 nan 0.000 1.045 377 T N -0.495 114.068 114.554 0.014 0.000 2.754 377 T HA 0.627 4.977 4.350 -0.000 0.000 0.286 377 T C 0.890 175.602 174.700 0.019 0.000 0.997 377 T CA -0.190 61.928 62.100 0.030 0.000 0.982 377 T CB 1.078 69.975 68.868 0.047 0.000 1.027 377 T HN 0.662 nan 8.240 nan 0.000 0.529 378 c N 0.460 119.091 118.600 0.051 0.000 2.399 378 c HA 0.905 5.475 4.570 -0.000 0.000 0.348 378 c C 1.285 175.424 174.090 0.083 0.000 1.183 378 c CA -0.324 56.040 56.329 0.058 0.000 2.023 378 c CB 0.847 43.418 42.510 0.101 0.000 2.361 378 c HN 1.208 nan 8.230 nan 0.000 0.521 379 G N 0.141 108.992 108.800 0.085 0.000 3.075 379 G HA2 0.508 4.468 3.960 -0.000 0.000 0.253 379 G HA3 0.508 4.468 3.960 -0.000 0.000 0.253 379 G C -0.164 174.815 174.900 0.131 0.000 1.353 379 G CA -0.214 44.931 45.100 0.076 0.000 1.051 379 G HN 0.720 nan 8.290 nan 0.000 0.553 380 N N -0.260 118.470 118.700 0.050 0.000 2.782 380 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 380 N C 0.156 175.521 175.510 -0.242 0.000 1.101 380 N CA 1.394 54.433 53.050 -0.018 0.000 0.764 380 N CB -0.568 37.987 38.487 0.114 0.000 1.122 380 N HN 0.657 nan 8.380 nan 0.000 0.561 381 D N -4.069 116.232 120.400 -0.164 0.000 2.876 381 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 381 D C -0.438 175.703 176.300 -0.266 0.000 1.014 381 D CA 1.062 54.930 54.000 -0.221 0.000 1.012 381 D CB -1.516 39.119 40.800 -0.276 0.000 1.080 381 D HN 0.535 nan 8.370 nan 0.000 0.438 382 W N 0.606 121.880 121.300 -0.044 0.000 2.266 382 W HA 0.364 5.024 4.660 0.000 0.000 0.317 382 W C 1.745 178.243 176.519 -0.034 0.000 1.310 382 W CA -0.851 56.481 57.345 -0.022 0.000 1.207 382 W CB 0.660 30.055 29.460 -0.108 0.000 1.199 382 W HN -0.260 nan 8.180 nan 0.000 0.544 383 V N 2.423 122.400 119.914 0.105 0.000 2.488 383 V HA -0.205 3.914 4.120 -0.000 0.000 0.246 383 V C 1.193 177.339 176.094 0.086 0.000 1.046 383 V CA 0.387 62.642 62.300 -0.075 0.000 1.053 383 V CB -0.831 30.614 31.823 -0.630 0.000 0.679 383 V HN 0.872 nan 8.190 nan 0.000 0.458 384 c N 1.447 120.140 118.600 0.155 0.000 3.896 384 c HA -0.156 4.413 4.570 -0.000 0.000 0.300 384 c C 1.654 175.608 174.090 -0.227 0.000 1.322 384 c CA 0.538 56.937 56.329 0.117 0.000 2.130 384 c CB -2.481 40.071 42.510 0.069 0.000 1.363 384 c HN 0.678 nan 8.230 nan 0.000 0.642 385 E N 0.371 120.307 120.200 -0.440 0.000 2.204 385 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 385 E C 1.955 178.271 176.600 -0.474 0.000 0.990 385 E CA 1.557 57.295 56.400 -1.104 0.000 0.821 385 E CB -0.142 29.087 29.700 -0.785 0.000 0.750 385 E HN 0.972 nan 8.360 nan 0.000 0.477 386 H N -0.092 118.851 119.070 -0.213 0.000 2.545 386 H HA 0.102 4.657 4.556 -0.000 0.000 0.282 386 H C 1.212 176.611 175.328 0.118 0.000 1.020 386 H CA 0.832 56.879 56.048 -0.001 0.000 1.243 386 H CB -0.003 29.672 29.762 -0.146 0.000 1.377 386 H HN 0.090 nan 8.280 nan 0.000 0.581 387 R N -0.574 119.643 120.500 -0.472 0.000 2.334 387 R HA 0.059 4.399 4.340 -0.000 0.000 0.216 387 R C -0.253 176.175 176.300 0.213 0.000 0.905 387 R CA -0.446 55.504 56.100 -0.250 0.000 1.064 387 R CB 0.255 30.222 30.300 -0.555 0.000 1.046 387 R HN 0.101 nan 8.270 nan 0.000 0.508 388 W N 2.027 123.350 121.300 0.039 0.000 2.251 388 W HA 0.130 4.790 4.660 -0.001 0.000 0.327 388 W C 1.599 178.193 176.519 0.125 0.000 1.361 388 W CA -1.082 56.315 57.345 0.086 0.000 1.234 388 W CB 0.023 29.555 29.460 0.122 0.000 1.212 388 W HN 0.078 nan 8.180 nan 0.000 0.557 389 R N 1.787 122.468 120.500 0.300 0.000 2.113 389 R HA -0.307 4.033 4.340 -0.000 0.000 0.244 389 R C 1.673 178.096 176.300 0.205 0.000 1.142 389 R CA 2.503 58.730 56.100 0.212 0.000 0.953 389 R CB -0.005 30.367 30.300 0.121 0.000 0.860 389 R HN 0.496 nan 8.270 nan 0.000 0.438 390 Q N 0.052 119.982 119.800 0.216 0.000 2.124 390 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 390 Q C 2.015 178.164 176.000 0.249 0.000 0.977 390 Q CA 1.789 57.708 55.803 0.193 0.000 0.850 390 Q CB -0.045 28.831 28.738 0.230 0.000 0.901 390 Q HN 0.475 nan 8.270 nan 0.000 0.429 391 I N -0.425 120.331 120.570 0.310 0.000 2.339 391 I HA -0.140 4.029 4.170 -0.000 0.000 0.245 391 I C 2.499 178.755 176.117 0.232 0.000 1.096 391 I CA 0.466 61.915 61.300 0.249 0.000 1.408 391 I CB -0.218 37.921 38.000 0.231 0.000 1.092 391 I HN 0.134 nan 8.210 nan 0.000 0.423 392 R N 1.449 122.131 120.500 0.304 0.000 2.091 392 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 392 R C 1.759 178.162 176.300 0.172 0.000 1.136 392 R CA 1.849 58.148 56.100 0.331 0.000 0.959 392 R CB -0.415 30.134 30.300 0.416 0.000 0.856 392 R HN 0.327 nan 8.270 nan 0.000 0.437 393 N N -0.036 118.764 118.700 0.166 0.000 2.331 393 N HA -0.080 4.659 4.740 -0.000 0.000 0.180 393 N C 1.528 177.120 175.510 0.137 0.000 1.019 393 N CA 0.933 54.069 53.050 0.143 0.000 0.881 393 N CB -0.071 38.501 38.487 0.141 0.000 0.972 393 N HN 0.201 nan 8.380 nan 0.000 0.435 394 M N -0.231 119.433 119.600 0.106 0.000 2.349 394 M HA 0.063 4.543 4.480 -0.000 0.000 0.266 394 M C 1.829 178.151 176.300 0.036 0.000 1.076 394 M CA 0.371 55.711 55.300 0.067 0.000 1.126 394 M CB -0.572 32.047 32.600 0.032 0.000 1.392 394 M HN -0.115 nan 8.290 nan 0.000 0.440 395 V N 0.621 120.509 119.914 -0.044 0.000 2.343 395 V HA -0.257 3.862 4.120 -0.000 0.000 0.247 395 V C 2.320 178.291 176.094 -0.205 0.000 1.051 395 V CA 1.552 63.721 62.300 -0.219 0.000 1.036 395 V CB -0.463 31.037 31.823 -0.538 0.000 0.654 395 V HN 0.341 nan 8.190 nan 0.000 0.451 396 I N -1.047 119.440 120.570 -0.138 0.000 2.252 396 I HA -0.233 3.936 4.170 -0.000 0.000 0.245 396 I C 2.295 178.308 176.117 -0.174 0.000 1.102 396 I CA 1.640 62.858 61.300 -0.137 0.000 1.385 396 I CB -0.428 37.536 38.000 -0.060 0.000 1.064 396 I HN 0.313 nan 8.210 nan 0.000 0.414 397 F N 1.914 121.696 119.950 -0.280 0.000 2.091 397 F HA -0.300 4.227 4.527 -0.000 0.000 0.299 397 F C 2.713 178.370 175.800 -0.238 0.000 1.103 397 F CA 1.867 59.657 58.000 -0.351 0.000 1.228 397 F CB -0.309 38.624 39.000 -0.112 0.000 0.984 397 F HN -0.143 nan 8.300 nan 0.000 0.477 398 R N 0.165 120.754 120.500 0.148 0.000 2.096 398 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 398 R C 2.029 178.274 176.300 -0.091 0.000 1.127 398 R CA 1.654 57.789 56.100 0.057 0.000 0.968 398 R CB -0.315 29.987 30.300 0.003 0.000 0.861 398 R HN 0.291 nan 8.270 nan 0.000 0.440 399 N N -0.035 118.581 118.700 -0.141 0.000 2.084 399 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 399 N C 1.729 177.140 175.510 -0.166 0.000 1.030 399 N CA 1.339 54.302 53.050 -0.145 0.000 0.849 399 N CB -0.398 37.998 38.487 -0.152 0.000 1.012 399 N HN 0.027 nan 8.380 nan 0.000 0.423 400 V N 1.029 120.790 119.914 -0.255 0.000 2.490 400 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 400 V C 2.020 177.966 176.094 -0.247 0.000 1.061 400 V CA 1.477 63.614 62.300 -0.272 0.000 1.064 400 V CB -0.436 31.120 31.823 -0.446 0.000 0.670 400 V HN 0.316 nan 8.190 nan 0.000 0.461 401 V N -2.557 117.180 119.914 -0.296 0.000 3.621 401 V HA 0.272 4.392 4.120 -0.000 0.000 0.285 401 V C 0.639 176.675 176.094 -0.097 0.000 1.346 401 V CA -0.297 61.873 62.300 -0.217 0.000 1.104 401 V CB -0.256 31.381 31.823 -0.310 0.000 0.913 401 V HN 0.434 nan 8.190 nan 0.000 0.432 402 D N 1.864 122.212 120.400 -0.086 0.000 2.586 402 D HA 0.320 4.960 4.640 -0.000 0.000 0.234 402 D C 1.528 177.811 176.300 -0.027 0.000 1.132 402 D CA 2.169 56.142 54.000 -0.045 0.000 0.860 402 D CB 0.419 41.191 40.800 -0.047 0.000 1.159 402 D HN 0.671 nan 8.370 nan 0.000 0.490 403 G N 3.087 111.881 108.800 -0.009 0.000 2.253 403 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 403 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 403 G C 0.232 175.139 174.900 0.012 0.000 0.998 403 G CA 0.154 45.254 45.100 -0.001 0.000 0.621 403 G HN 0.593 nan 8.290 nan 0.000 0.524 404 Q N 1.642 121.450 119.800 0.014 0.000 2.327 404 Q HA 0.405 4.745 4.340 -0.000 0.000 0.254 404 Q C -1.924 174.117 176.000 0.068 0.000 0.952 404 Q CA -1.418 54.405 55.803 0.034 0.000 0.884 404 Q CB 1.266 30.017 28.738 0.022 0.000 1.224 404 Q HN 0.416 nan 8.270 nan 0.000 0.422 405 P HA 0.090 nan 4.420 nan 0.000 0.274 405 P C -0.687 176.725 177.300 0.185 0.000 1.246 405 P CA -0.374 62.797 63.100 0.119 0.000 0.795 405 P CB 0.468 32.230 31.700 0.103 0.000 1.006 406 F N 2.114 122.081 119.950 0.028 0.000 2.444 406 F HA 0.343 4.870 4.527 -0.000 0.000 0.360 406 F C 0.213 176.088 175.800 0.125 0.000 1.106 406 F CA 0.662 58.688 58.000 0.043 0.000 1.170 406 F CB 0.296 39.228 39.000 -0.113 0.000 1.113 406 F HN 0.411 nan 8.300 nan 0.000 0.521 407 T N 1.499 115.920 114.554 -0.221 0.000 2.681 407 T HA 0.299 4.649 4.350 -0.000 0.000 0.296 407 T C -0.328 174.342 174.700 -0.051 0.000 1.157 407 T CA -1.168 60.871 62.100 -0.101 0.000 1.025 407 T CB 1.218 70.118 68.868 0.054 0.000 1.441 407 T HN 0.506 nan 8.240 nan 0.000 0.504 408 N N 0.659 119.416 118.700 0.095 0.000 2.714 408 N HA -0.133 4.607 4.740 -0.000 0.000 0.252 408 N C -0.432 175.230 175.510 0.253 0.000 1.014 408 N CA 0.613 53.787 53.050 0.206 0.000 0.735 408 N CB -0.814 37.843 38.487 0.283 0.000 0.924 408 N HN 0.722 nan 8.380 nan 0.000 0.540 409 W N 0.995 122.310 121.300 0.025 0.000 2.181 409 W HA 0.281 4.940 4.660 -0.000 0.000 0.335 409 W C -0.377 176.281 176.519 0.232 0.000 1.310 409 W CA -0.045 57.353 57.345 0.089 0.000 1.226 409 W CB 0.249 29.745 29.460 0.060 0.000 1.155 409 W HN 0.241 nan 8.180 nan 0.000 0.565 410 Y N 5.245 125.093 120.300 -0.754 0.000 2.504 410 Y HA 0.391 4.941 4.550 -0.000 0.000 0.344 410 Y C -1.584 173.898 175.900 -0.697 0.000 1.023 410 Y CA -0.841 56.987 58.100 -0.453 0.000 1.020 410 Y CB 1.438 39.818 38.460 -0.133 0.000 1.282 410 Y HN 0.533 nan 8.280 nan 0.000 0.454 411 D N 1.862 121.390 120.400 -1.454 0.000 2.655 411 D HA 0.198 4.838 4.640 -0.000 0.000 0.229 411 D C -1.121 174.642 176.300 -0.895 0.000 1.229 411 D CA -0.833 52.577 54.000 -0.984 0.000 0.807 411 D CB 1.000 41.693 40.800 -0.179 0.000 1.514 411 D HN 0.448 nan 8.370 nan 0.000 0.444 412 N N 0.974 119.447 118.700 -0.377 0.000 2.276 412 N HA 0.191 4.930 4.740 -0.000 0.000 0.212 412 N C 1.364 176.902 175.510 0.048 0.000 1.127 412 N CA 0.244 53.277 53.050 -0.030 0.000 0.834 412 N CB 0.329 38.960 38.487 0.239 0.000 1.014 412 N HN 1.039 nan 8.380 nan 0.000 0.491 413 G N -1.505 107.298 108.800 0.006 0.000 2.184 413 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 413 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 413 G C 0.391 175.312 174.900 0.035 0.000 0.975 413 G CA 0.701 45.833 45.100 0.054 0.000 0.642 413 G HN 0.647 nan 8.290 nan 0.000 0.536 414 S N -0.824 114.890 115.700 0.023 0.000 3.657 414 S HA 0.436 4.906 4.470 -0.000 0.000 0.183 414 S C 0.917 175.446 174.600 -0.118 0.000 0.995 414 S CA 0.755 58.949 58.200 -0.008 0.000 1.333 414 S CB 0.160 63.450 63.200 0.149 0.000 1.197 414 S HN 0.298 nan 8.310 nan 0.000 0.856 415 N N 0.622 119.227 118.700 -0.158 0.000 2.291 415 N HA 0.349 5.089 4.740 -0.000 0.000 0.244 415 N C -1.292 174.095 175.510 -0.205 0.000 1.216 415 N CA -0.072 52.847 53.050 -0.217 0.000 0.879 415 N CB 1.133 39.465 38.487 -0.260 0.000 1.167 415 N HN 0.278 nan 8.380 nan 0.000 0.515 416 Q N 1.505 121.225 119.800 -0.133 0.000 2.381 416 Q HA 0.464 4.804 4.340 -0.000 0.000 0.263 416 Q C -0.900 175.036 176.000 -0.107 0.000 1.030 416 Q CA -0.717 55.036 55.803 -0.082 0.000 0.772 416 Q CB 2.100 30.929 28.738 0.153 0.000 1.232 416 Q HN 0.120 nan 8.270 nan 0.000 0.476 417 V N -1.155 118.647 119.914 -0.186 0.000 3.102 417 V HA 1.058 5.178 4.120 -0.000 0.000 0.312 417 V C -1.210 174.721 176.094 -0.272 0.000 1.135 417 V CA -0.836 61.258 62.300 -0.344 0.000 1.022 417 V CB 1.981 33.537 31.823 -0.444 0.000 1.056 417 V HN 0.711 nan 8.190 nan 0.000 0.436 418 A N 2.182 124.743 122.820 -0.433 0.000 2.612 418 A HA 1.037 5.357 4.320 -0.000 0.000 0.293 418 A C -1.189 176.141 177.584 -0.423 0.000 1.075 418 A CA -0.230 51.518 52.037 -0.481 0.000 0.680 418 A CB 1.771 20.490 19.000 -0.469 0.000 1.279 418 A HN 2.417 nan 8.150 nan 0.000 0.411 419 F N -1.243 118.267 119.950 -0.735 0.000 2.741 419 F HA 0.829 5.356 4.527 -0.000 0.000 0.311 419 F C -0.074 175.374 175.800 -0.585 0.000 1.149 419 F CA -0.305 57.407 58.000 -0.480 0.000 0.930 419 F CB 0.772 39.665 39.000 -0.177 0.000 1.312 419 F HN 1.118 nan 8.300 nan 0.000 0.450 420 G N 0.482 109.314 108.800 0.052 0.000 2.685 420 G HA2 0.679 4.639 3.960 -0.000 0.000 0.298 420 G HA3 0.679 4.639 3.960 -0.000 0.000 0.298 420 G C -1.560 173.492 174.900 0.252 0.000 1.277 420 G CA -1.313 43.900 45.100 0.189 0.000 0.986 420 G HN 0.591 nan 8.290 nan 0.000 0.487 421 R N 0.428 121.055 120.500 0.212 0.000 2.363 421 R HA 0.476 4.816 4.340 -0.000 0.000 0.297 421 R C 0.897 177.254 176.300 0.096 0.000 1.208 421 R CA 0.058 56.261 56.100 0.171 0.000 1.121 421 R CB 0.312 30.699 30.300 0.145 0.000 1.124 421 R HN 1.259 nan 8.270 nan 0.000 0.561 422 G N 3.493 112.352 108.800 0.098 0.000 2.614 422 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.303 422 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.303 422 G C 0.288 175.226 174.900 0.063 0.000 1.270 422 G CA 0.678 45.819 45.100 0.068 0.000 0.988 422 G HN 0.661 nan 8.290 nan 0.000 0.551 423 N N 0.537 119.262 118.700 0.041 0.000 2.328 423 N HA 0.220 4.960 4.740 -0.000 0.000 0.247 423 N C 1.293 176.822 175.510 0.032 0.000 1.165 423 N CA -0.009 53.063 53.050 0.037 0.000 0.873 423 N CB 0.533 39.040 38.487 0.034 0.000 1.125 423 N HN 0.545 nan 8.380 nan 0.000 0.513 424 R N -0.657 119.848 120.500 0.009 0.000 2.344 424 R HA 0.358 4.698 4.340 -0.000 0.000 0.209 424 R C 0.369 176.628 176.300 -0.069 0.000 0.886 424 R CA 0.446 56.532 56.100 -0.023 0.000 1.040 424 R CB 1.117 31.373 30.300 -0.074 0.000 1.114 424 R HN 0.299 nan 8.270 nan 0.000 0.547 425 G N 0.428 109.194 108.800 -0.055 0.000 2.673 425 G HA2 0.515 4.474 3.960 -0.000 0.000 0.292 425 G HA3 0.515 4.474 3.960 -0.000 0.000 0.292 425 G C -2.059 172.965 174.900 0.206 0.000 1.450 425 G CA -0.420 44.645 45.100 -0.057 0.000 0.837 425 G HN -0.007 nan 8.290 nan 0.000 0.505 426 F N 0.740 120.748 119.950 0.098 0.000 2.596 426 F HA 0.784 5.311 4.527 -0.000 0.000 0.311 426 F C -1.011 174.712 175.800 -0.129 0.000 1.116 426 F CA -0.968 57.006 58.000 -0.043 0.000 0.957 426 F CB 2.046 40.985 39.000 -0.102 0.000 1.250 426 F HN 0.502 nan 8.300 nan 0.000 0.444 427 I N 5.758 125.746 120.570 -0.970 0.000 2.647 427 I HA 0.750 4.919 4.170 -0.000 0.000 0.295 427 I C -1.764 173.648 176.117 -1.175 0.000 1.078 427 I CA -0.772 59.956 61.300 -0.954 0.000 1.048 427 I CB 1.897 39.294 38.000 -1.005 0.000 1.239 427 I HN 0.361 nan 8.210 nan 0.000 0.421 428 V N 6.934 126.254 119.914 -0.990 0.000 2.638 428 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 428 V C -1.036 174.590 176.094 -0.779 0.000 1.052 428 V CA -0.528 61.251 62.300 -0.870 0.000 0.885 428 V CB 1.760 33.041 31.823 -0.903 0.000 0.999 428 V HN 0.481 nan 8.190 nan 0.000 0.424 429 F N 2.399 122.094 119.950 -0.425 0.000 2.551 429 F HA 0.602 5.128 4.527 -0.000 0.000 0.316 429 F C 0.123 175.707 175.800 -0.361 0.000 1.089 429 F CA -0.656 57.174 58.000 -0.284 0.000 0.915 429 F CB 2.047 40.897 39.000 -0.249 0.000 1.186 429 F HN 0.464 nan 8.300 nan 0.000 0.456 430 N N 1.781 120.447 118.700 -0.057 0.000 2.573 430 N HA 0.198 4.938 4.740 -0.000 0.000 0.262 430 N C -0.932 174.512 175.510 -0.109 0.000 1.029 430 N CA -0.256 52.717 53.050 -0.129 0.000 0.882 430 N CB 0.565 38.997 38.487 -0.091 0.000 1.204 430 N HN 0.571 nan 8.380 nan 0.000 0.519 431 N N 1.889 120.482 118.700 -0.178 0.000 2.235 431 N HA 0.170 4.910 4.740 -0.000 0.000 0.231 431 N C -0.976 174.371 175.510 -0.273 0.000 1.177 431 N CA -0.187 52.750 53.050 -0.188 0.000 0.874 431 N CB 0.343 38.709 38.487 -0.201 0.000 1.097 431 N HN 0.493 nan 8.380 nan 0.000 0.518 432 D N -0.477 119.662 120.400 -0.434 0.000 2.387 432 D HA 0.128 4.768 4.640 -0.000 0.000 0.251 432 D C -0.060 175.915 176.300 -0.542 0.000 1.141 432 D CA -0.084 53.452 54.000 -0.773 0.000 0.987 432 D CB 0.887 40.691 40.800 -1.660 0.000 1.116 432 D HN 0.064 nan 8.370 nan 0.000 0.491 433 D N 0.552 120.729 120.400 -0.372 0.000 2.352 433 D HA 0.128 4.768 4.640 -0.000 0.000 0.236 433 D C -0.103 176.377 176.300 0.300 0.000 1.148 433 D CA -0.030 54.008 54.000 0.063 0.000 0.844 433 D CB 0.004 40.927 40.800 0.205 0.000 0.933 433 D HN 0.325 nan 8.370 nan 0.000 0.507 434 W N -1.284 120.053 121.300 0.063 0.000 3.038 434 W HA 0.561 5.221 4.660 -0.000 0.000 0.347 434 W C -0.467 176.109 176.519 0.096 0.000 1.219 434 W CA -1.023 56.363 57.345 0.068 0.000 1.142 434 W CB 0.118 29.614 29.460 0.060 0.000 1.484 434 W HN -0.439 nan 8.180 nan 0.000 0.586 435 S N 1.064 116.964 115.700 0.333 0.000 2.601 435 S HA 0.451 4.921 4.470 -0.000 0.000 0.271 435 S C -1.256 173.517 174.600 0.289 0.000 1.305 435 S CA -0.473 57.865 58.200 0.231 0.000 1.022 435 S CB 0.501 63.816 63.200 0.191 0.000 0.940 435 S HN 0.378 nan 8.310 nan 0.000 0.525 436 F N 1.987 121.987 119.950 0.084 0.000 2.427 436 F HA 0.578 5.105 4.527 -0.000 0.000 0.346 436 F C 0.050 175.892 175.800 0.071 0.000 1.120 436 F CA -0.238 57.811 58.000 0.081 0.000 1.033 436 F CB 1.245 40.259 39.000 0.023 0.000 1.126 436 F HN 0.429 nan 8.300 nan 0.000 0.462 437 S N 7.395 122.778 115.700 -0.529 0.000 2.673 437 S HA 0.693 5.162 4.470 -0.000 0.000 0.256 437 S C -1.952 172.318 174.600 -0.549 0.000 1.141 437 S CA -0.445 57.547 58.200 -0.347 0.000 1.109 437 S CB 0.363 63.563 63.200 -0.001 0.000 1.101 437 S HN 0.756 nan 8.310 nan 0.000 0.471 438 L N 3.283 124.039 121.223 -0.778 0.000 2.582 438 L HA 0.632 4.972 4.340 -0.000 0.000 0.257 438 L C -0.656 176.048 176.870 -0.276 0.000 0.974 438 L CA -0.018 54.525 54.840 -0.494 0.000 0.851 438 L CB 2.269 43.899 42.059 -0.716 0.000 1.424 438 L HN 0.472 nan 8.230 nan 0.000 0.412 439 T N 4.224 118.765 114.554 -0.021 0.000 2.743 439 T HA 0.622 4.972 4.350 -0.000 0.000 0.293 439 T C -0.666 174.056 174.700 0.036 0.000 0.945 439 T CA -0.152 61.997 62.100 0.081 0.000 1.030 439 T CB 0.392 69.335 68.868 0.125 0.000 0.912 439 T HN 0.216 nan 8.240 nan 0.000 0.483 440 L N 3.055 124.351 121.223 0.122 0.000 2.319 440 L HA 0.539 4.879 4.340 -0.000 0.000 0.267 440 L C 0.073 176.916 176.870 -0.044 0.000 1.011 440 L CA -1.028 53.836 54.840 0.040 0.000 0.818 440 L CB 1.758 43.875 42.059 0.097 0.000 1.316 440 L HN 0.539 nan 8.230 nan 0.000 0.432 441 Q N -0.029 119.722 119.800 -0.082 0.000 2.295 441 Q HA 0.286 4.625 4.340 -0.000 0.000 0.259 441 Q C 0.608 176.371 176.000 -0.395 0.000 0.976 441 Q CA 0.450 56.168 55.803 -0.142 0.000 0.923 441 Q CB 1.039 29.757 28.738 -0.033 0.000 1.185 441 Q HN 0.747 nan 8.270 nan 0.000 0.410 442 T N 0.223 114.436 114.554 -0.569 0.000 3.014 442 T HA 0.276 4.626 4.350 -0.000 0.000 0.250 442 T C 1.249 175.745 174.700 -0.340 0.000 1.060 442 T CA 0.384 61.864 62.100 -1.033 0.000 1.040 442 T CB -0.052 68.245 68.868 -0.952 0.000 0.971 442 T HN 1.045 nan 8.240 nan 0.000 0.497 443 G N 1.475 110.174 108.800 -0.169 0.000 2.155 443 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.257 443 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.257 443 G C -0.078 174.799 174.900 -0.039 0.000 0.983 443 G CA 0.431 45.503 45.100 -0.047 0.000 0.676 443 G HN 0.636 nan 8.290 nan 0.000 0.528 444 L N 1.216 122.381 121.223 -0.097 0.000 2.344 444 L HA 0.474 4.814 4.340 -0.000 0.000 0.272 444 L C -1.536 175.342 176.870 0.013 0.000 1.035 444 L CA -2.245 52.558 54.840 -0.062 0.000 0.807 444 L CB 1.368 43.286 42.059 -0.234 0.000 1.237 444 L HN -0.081 nan 8.230 nan 0.000 0.442 445 P HA 0.082 nan 4.420 nan 0.000 0.271 445 P C -0.584 176.820 177.300 0.174 0.000 1.218 445 P CA -0.379 62.789 63.100 0.113 0.000 0.780 445 P CB 0.691 32.456 31.700 0.110 0.000 0.901 446 A N 2.047 124.930 122.820 0.106 0.000 2.555 446 A HA 0.475 4.795 4.320 -0.000 0.000 0.233 446 A C 0.885 178.548 177.584 0.131 0.000 1.060 446 A CA 1.177 53.282 52.037 0.112 0.000 0.759 446 A CB -1.011 18.023 19.000 0.057 0.000 0.995 446 A HN 0.904 nan 8.150 nan 0.000 0.506 447 G N -0.290 108.604 108.800 0.156 0.000 2.356 447 G HA2 0.437 4.397 3.960 -0.000 0.000 0.300 447 G HA3 0.437 4.397 3.960 -0.000 0.000 0.300 447 G C -0.743 174.204 174.900 0.080 0.000 1.331 447 G CA -0.217 44.905 45.100 0.037 0.000 0.905 447 G HN 0.993 nan 8.290 nan 0.000 0.587 448 T N 1.059 115.562 114.554 -0.085 0.000 2.749 448 T HA 0.636 4.986 4.350 -0.000 0.000 0.287 448 T C -1.141 173.408 174.700 -0.251 0.000 0.970 448 T CA 0.160 62.196 62.100 -0.106 0.000 0.980 448 T CB 0.587 69.413 68.868 -0.069 0.000 0.924 448 T HN 0.377 nan 8.240 nan 0.000 0.456 449 Y N 0.662 120.822 120.300 -0.232 0.000 2.429 449 Y HA 0.439 4.989 4.550 -0.000 0.000 0.342 449 Y C 0.421 176.196 175.900 -0.208 0.000 1.004 449 Y CA -1.255 56.734 58.100 -0.186 0.000 1.075 449 Y CB 1.012 39.388 38.460 -0.140 0.000 1.214 449 Y HN 0.574 nan 8.280 nan 0.000 0.455 450 c N 2.048 120.630 118.600 -0.029 0.000 2.435 450 c HA 0.199 4.769 4.570 -0.000 0.000 0.375 450 c C 0.313 174.375 174.090 -0.047 0.000 1.281 450 c CA -0.805 55.485 56.329 -0.065 0.000 1.963 450 c CB -0.306 42.161 42.510 -0.073 0.000 2.490 450 c HN 0.785 nan 8.230 nan 0.000 0.557 451 D N 1.572 121.938 120.400 -0.056 0.000 2.371 451 D HA 0.155 4.795 4.640 -0.000 0.000 0.256 451 D C 0.981 177.244 176.300 -0.061 0.000 1.193 451 D CA -0.265 53.702 54.000 -0.055 0.000 0.881 451 D CB 0.958 41.715 40.800 -0.071 0.000 1.143 451 D HN 0.439 nan 8.370 nan 0.000 0.473 452 V N 2.388 122.276 119.914 -0.042 0.000 3.623 452 V HA 0.024 4.144 4.120 -0.000 0.000 0.271 452 V C 1.539 177.602 176.094 -0.052 0.000 1.248 452 V CA 0.173 62.469 62.300 -0.007 0.000 1.156 452 V CB -0.626 31.258 31.823 0.102 0.000 0.870 452 V HN 0.501 nan 8.190 nan 0.000 0.453 453 I N 2.280 122.753 120.570 -0.163 0.000 2.429 453 I HA -0.033 4.137 4.170 -0.000 0.000 0.247 453 I C 2.770 178.774 176.117 -0.188 0.000 1.099 453 I CA 1.953 63.088 61.300 -0.275 0.000 1.422 453 I CB -1.179 36.427 38.000 -0.657 0.000 1.112 453 I HN 0.573 nan 8.210 nan 0.000 0.430 454 S N -0.242 115.358 115.700 -0.166 0.000 2.446 454 S HA 0.238 4.708 4.470 -0.000 0.000 0.225 454 S C 1.127 175.690 174.600 -0.062 0.000 1.016 454 S CA 0.478 58.614 58.200 -0.107 0.000 0.943 454 S CB -0.116 63.026 63.200 -0.097 0.000 0.786 454 S HN 0.425 nan 8.310 nan 0.000 0.508 455 G N -0.224 108.545 108.800 -0.053 0.000 2.846 455 G HA2 0.584 4.543 3.960 -0.000 0.000 0.299 455 G HA3 0.584 4.543 3.960 -0.000 0.000 0.299 455 G C -2.129 172.764 174.900 -0.011 0.000 1.242 455 G CA -0.585 44.499 45.100 -0.027 0.000 0.800 455 G HN 0.217 nan 8.290 nan 0.000 0.538 456 D N -0.500 119.896 120.400 -0.006 0.000 2.570 456 D HA 0.295 4.934 4.640 -0.000 0.000 0.244 456 D C -1.038 175.256 176.300 -0.011 0.000 1.178 456 D CA -0.581 53.422 54.000 0.004 0.000 0.881 456 D CB 2.727 43.540 40.800 0.023 0.000 1.453 456 D HN 0.234 nan 8.370 nan 0.000 0.447 457 K N 1.614 122.007 120.400 -0.012 0.000 2.267 457 K HA 0.421 4.741 4.320 -0.000 0.000 0.282 457 K C -0.852 175.741 176.600 -0.011 0.000 1.078 457 K CA -0.240 56.032 56.287 -0.025 0.000 0.903 457 K CB 0.250 32.726 32.500 -0.039 0.000 1.111 457 K HN 0.378 nan 8.250 nan 0.000 0.475 458 I N 5.881 126.444 120.570 -0.012 0.000 2.448 458 I HA 0.060 4.230 4.170 -0.000 0.000 0.281 458 I C -0.240 175.872 176.117 -0.009 0.000 1.027 458 I CA -0.688 60.609 61.300 -0.005 0.000 1.111 458 I CB 1.215 39.217 38.000 0.002 0.000 1.236 458 I HN 0.795 nan 8.210 nan 0.000 0.452 459 N N 4.343 123.037 118.700 -0.009 0.000 2.614 459 N HA -0.221 4.519 4.740 -0.000 0.000 0.276 459 N C 0.613 176.113 175.510 -0.017 0.000 1.119 459 N CA 0.654 53.697 53.050 -0.011 0.000 0.742 459 N CB -1.359 37.124 38.487 -0.006 0.000 0.900 459 N HN 1.123 nan 8.380 nan 0.000 0.549 460 G N -0.421 108.364 108.800 -0.025 0.000 2.166 460 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 460 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 460 G C -0.156 174.725 174.900 -0.032 0.000 0.986 460 G CA 0.708 45.789 45.100 -0.032 0.000 0.683 460 G HN 0.850 nan 8.290 nan 0.000 0.527 461 N N -1.440 117.242 118.700 -0.030 0.000 2.494 461 N HA 0.529 5.269 4.740 -0.000 0.000 0.270 461 N C -0.609 174.882 175.510 -0.032 0.000 1.285 461 N CA 0.026 53.059 53.050 -0.028 0.000 0.812 461 N CB 1.638 40.115 38.487 -0.016 0.000 1.557 461 N HN 0.150 nan 8.380 nan 0.000 0.487 462 c N 0.296 118.874 118.600 -0.036 0.000 2.358 462 c HA 0.449 5.019 4.570 -0.000 0.000 0.342 462 c C 2.031 176.105 174.090 -0.026 0.000 1.234 462 c CA -0.529 55.777 56.329 -0.039 0.000 1.969 462 c CB 0.651 43.126 42.510 -0.059 0.000 2.346 462 c HN 0.853 nan 8.230 nan 0.000 0.525 463 T N -0.741 113.800 114.554 -0.022 0.000 3.065 463 T HA 0.279 4.629 4.350 -0.000 0.000 0.252 463 T C 0.846 175.534 174.700 -0.019 0.000 1.099 463 T CA 0.743 62.834 62.100 -0.015 0.000 1.063 463 T CB 0.097 68.961 68.868 -0.007 0.000 0.948 463 T HN 0.857 nan 8.240 nan 0.000 0.506 464 G N 0.867 109.649 108.800 -0.029 0.000 3.234 464 G HA2 0.658 4.618 3.960 -0.000 0.000 0.159 464 G HA3 0.658 4.618 3.960 -0.000 0.000 0.159 464 G C -0.642 174.235 174.900 -0.040 0.000 1.175 464 G CA -1.260 43.819 45.100 -0.035 0.000 0.900 464 G HN 0.389 nan 8.290 nan 0.000 0.621 465 I N 0.646 121.188 120.570 -0.048 0.000 2.813 465 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 465 I C 0.149 176.213 176.117 -0.087 0.000 1.196 465 I CA 0.511 61.780 61.300 -0.051 0.000 1.421 465 I CB 0.888 38.861 38.000 -0.044 0.000 1.365 465 I HN 0.167 nan 8.210 nan 0.000 0.591 466 K N 5.728 126.050 120.400 -0.130 0.000 2.270 466 K HA 0.629 4.949 4.320 -0.000 0.000 0.255 466 K C -1.164 175.182 176.600 -0.424 0.000 0.936 466 K CA -0.567 55.553 56.287 -0.278 0.000 0.809 466 K CB 1.869 34.160 32.500 -0.347 0.000 1.131 466 K HN 0.315 nan 8.250 nan 0.000 0.427 467 I N 3.190 123.482 120.570 -0.464 0.000 2.509 467 I HA 0.286 4.455 4.170 -0.000 0.000 0.293 467 I C -0.957 174.841 176.117 -0.532 0.000 1.020 467 I CA -0.814 60.214 61.300 -0.454 0.000 1.088 467 I CB 1.401 39.222 38.000 -0.299 0.000 1.267 467 I HN 0.573 nan 8.210 nan 0.000 0.430 468 Y N 4.484 124.728 120.300 -0.094 0.000 2.356 468 Y HA 0.435 4.985 4.550 -0.000 0.000 0.334 468 Y C 0.218 176.078 175.900 -0.066 0.000 0.958 468 Y CA -0.899 57.180 58.100 -0.036 0.000 1.196 468 Y CB 1.522 39.955 38.460 -0.046 0.000 1.137 468 Y HN 0.160 nan 8.280 nan 0.000 0.485 469 V N 3.731 123.714 119.914 0.115 0.000 2.465 469 V HA 0.353 4.473 4.120 -0.000 0.000 0.279 469 V C 0.290 176.424 176.094 0.067 0.000 1.045 469 V CA -0.710 61.613 62.300 0.038 0.000 0.938 469 V CB 1.297 33.136 31.823 0.027 0.000 0.986 469 V HN 0.895 nan 8.190 nan 0.000 0.467 470 S N 2.325 118.037 115.700 0.020 0.000 2.681 470 S HA 0.241 4.711 4.470 -0.000 0.000 0.270 470 S C 0.748 175.356 174.600 0.014 0.000 1.209 470 S CA -0.569 57.641 58.200 0.017 0.000 0.988 470 S CB 1.000 64.199 63.200 -0.001 0.000 1.006 470 S HN 0.652 nan 8.310 nan 0.000 0.558 471 D N 1.251 121.658 120.400 0.011 0.000 2.190 471 D HA -0.114 4.525 4.640 -0.000 0.000 0.200 471 D C 1.111 177.414 176.300 0.005 0.000 0.992 471 D CA 1.771 55.777 54.000 0.010 0.000 0.854 471 D CB -0.450 40.353 40.800 0.005 0.000 0.936 471 D HN 0.858 nan 8.370 nan 0.000 0.462 472 D N -1.578 118.821 120.400 -0.002 0.000 2.328 472 D HA 0.167 4.807 4.640 -0.000 0.000 0.221 472 D C 1.477 177.767 176.300 -0.017 0.000 1.072 472 D CA 0.667 54.664 54.000 -0.005 0.000 0.850 472 D CB -0.058 40.740 40.800 -0.004 0.000 0.922 472 D HN 0.191 nan 8.370 nan 0.000 0.516 473 G N -0.032 108.753 108.800 -0.024 0.000 2.176 473 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.253 473 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.253 473 G C 0.247 175.089 174.900 -0.097 0.000 0.979 473 G CA 0.138 45.204 45.100 -0.057 0.000 0.641 473 G HN 0.456 nan 8.290 nan 0.000 0.530 474 K N 0.553 120.914 120.400 -0.064 0.000 2.202 474 K HA 0.688 5.008 4.320 -0.000 0.000 0.264 474 K C 0.229 176.786 176.600 -0.073 0.000 1.010 474 K CA 0.401 56.650 56.287 -0.064 0.000 0.940 474 K CB 1.364 33.848 32.500 -0.027 0.000 0.983 474 K HN 0.833 nan 8.250 nan 0.000 0.475 475 A N 1.685 124.460 122.820 -0.075 0.000 2.566 475 A HA 0.272 4.592 4.320 -0.000 0.000 0.297 475 A C -1.862 175.593 177.584 -0.215 0.000 1.059 475 A CA -0.720 51.207 52.037 -0.184 0.000 0.691 475 A CB 0.951 19.729 19.000 -0.371 0.000 1.282 475 A HN 0.842 nan 8.150 nan 0.000 0.401 476 H N 0.397 119.272 119.070 -0.324 0.000 2.548 476 H HA 0.695 5.251 4.556 -0.000 0.000 0.331 476 H C -1.510 173.581 175.328 -0.395 0.000 1.093 476 H CA 0.114 56.039 56.048 -0.204 0.000 1.367 476 H CB 0.401 30.102 29.762 -0.101 0.000 1.455 476 H HN 0.416 nan 8.280 nan 0.000 0.519 477 F N 2.227 121.908 119.950 -0.449 0.000 2.529 477 F HA 0.406 4.933 4.527 -0.000 0.000 0.320 477 F C -0.292 175.436 175.800 -0.120 0.000 1.118 477 F CA -0.690 57.240 58.000 -0.117 0.000 0.915 477 F CB 2.126 41.197 39.000 0.118 0.000 1.161 477 F HN 0.404 nan 8.300 nan 0.000 0.445 478 S N 4.424 120.247 115.700 0.206 0.000 2.659 478 S HA 0.725 5.195 4.470 -0.000 0.000 0.312 478 S C -0.777 173.955 174.600 0.220 0.000 1.114 478 S CA -0.487 57.843 58.200 0.216 0.000 1.063 478 S CB 0.785 64.103 63.200 0.196 0.000 0.996 478 S HN 0.436 nan 8.310 nan 0.000 0.478 479 I N 2.872 123.600 120.570 0.263 0.000 2.468 479 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 479 I C 0.237 176.444 176.117 0.151 0.000 1.038 479 I CA -0.525 60.871 61.300 0.160 0.000 1.083 479 I CB 1.982 40.034 38.000 0.087 0.000 1.223 479 I HN 0.592 nan 8.210 nan 0.000 0.443 480 S N 3.651 119.415 115.700 0.108 0.000 2.601 480 S HA 0.183 4.652 4.470 -0.000 0.000 0.271 480 S C 1.077 175.718 174.600 0.069 0.000 1.305 480 S CA -0.760 57.500 58.200 0.099 0.000 1.022 480 S CB 1.020 64.272 63.200 0.086 0.000 0.940 480 S HN 0.746 nan 8.310 nan 0.000 0.525 481 N N 1.368 120.105 118.700 0.062 0.000 2.573 481 N HA -0.084 4.655 4.740 -0.000 0.000 0.187 481 N C 0.623 176.157 175.510 0.039 0.000 1.107 481 N CA 0.517 53.585 53.050 0.030 0.000 0.918 481 N CB -0.408 38.091 38.487 0.019 0.000 0.966 481 N HN 0.485 nan 8.380 nan 0.000 0.448 482 S N -0.329 115.400 115.700 0.049 0.000 2.556 482 S HA 0.328 4.798 4.470 -0.000 0.000 0.216 482 S C 0.836 175.459 174.600 0.037 0.000 0.970 482 S CA -0.351 57.875 58.200 0.043 0.000 0.912 482 S CB 0.119 63.347 63.200 0.046 0.000 0.790 482 S HN 0.629 nan 8.310 nan 0.000 0.504 483 A N 1.562 124.404 122.820 0.038 0.000 2.483 483 A HA 0.237 4.556 4.320 -0.000 0.000 0.238 483 A C 1.421 179.021 177.584 0.028 0.000 1.070 483 A CA -0.156 51.898 52.037 0.028 0.000 0.770 483 A CB 0.152 19.167 19.000 0.025 0.000 1.008 483 A HN 0.226 nan 8.150 nan 0.000 0.497 484 E N 0.961 121.169 120.200 0.014 0.000 2.085 484 E HA -0.139 4.210 4.350 -0.000 0.000 0.194 484 E C -0.335 176.288 176.600 0.039 0.000 0.994 484 E CA 1.890 58.299 56.400 0.015 0.000 0.801 484 E CB 0.080 29.775 29.700 -0.008 0.000 0.743 484 E HN 0.635 nan 8.360 nan 0.000 0.453 485 D N 0.604 121.016 120.400 0.021 0.000 2.454 485 D HA 0.144 4.784 4.640 -0.000 0.000 0.247 485 D C -2.249 174.091 176.300 0.066 0.000 1.129 485 D CA -1.514 52.523 54.000 0.060 0.000 0.877 485 D CB 1.654 42.378 40.800 -0.127 0.000 1.082 485 D HN 0.126 nan 8.370 nan 0.000 0.537 486 P HA 0.082 nan 4.420 nan 0.000 0.269 486 P C -0.736 176.693 177.300 0.215 0.000 1.601 486 P CA -0.100 63.089 63.100 0.148 0.000 0.831 486 P CB -0.800 30.962 31.700 0.103 0.000 1.688 487 F N -1.812 118.058 119.950 -0.133 0.000 2.654 487 F HA 0.649 5.176 4.527 -0.000 0.000 0.308 487 F C -1.494 174.127 175.800 -0.299 0.000 1.108 487 F CA -2.255 55.557 58.000 -0.314 0.000 0.957 487 F CB 0.766 39.479 39.000 -0.479 0.000 1.309 487 F HN -0.337 nan 8.300 nan 0.000 0.446 488 I N 2.411 122.762 120.570 -0.365 0.000 2.509 488 I HA 0.796 4.966 4.170 -0.000 0.000 0.293 488 I C -0.734 175.197 176.117 -0.310 0.000 1.020 488 I CA -1.096 60.021 61.300 -0.305 0.000 1.088 488 I CB 2.026 39.990 38.000 -0.060 0.000 1.267 488 I HN 1.012 nan 8.210 nan 0.000 0.430 489 A N 7.631 130.314 122.820 -0.227 0.000 2.398 489 A HA 0.901 5.221 4.320 -0.000 0.000 0.301 489 A C -0.904 176.723 177.584 0.072 0.000 1.041 489 A CA -0.476 51.480 52.037 -0.133 0.000 0.711 489 A CB 1.308 20.148 19.000 -0.267 0.000 1.240 489 A HN 0.710 nan 8.150 nan 0.000 0.420 490 I N -0.012 120.680 120.570 0.202 0.000 2.769 490 I HA 0.941 5.111 4.170 -0.000 0.000 0.298 490 I C -0.688 175.563 176.117 0.223 0.000 1.128 490 I CA -0.936 60.447 61.300 0.139 0.000 1.031 490 I CB 2.425 40.438 38.000 0.023 0.000 1.235 490 I HN 0.955 nan 8.210 nan 0.000 0.423 491 H N 2.663 121.836 119.070 0.171 0.000 2.960 491 H HA 0.743 5.299 4.556 -0.000 0.000 0.323 491 H C 0.489 175.923 175.328 0.175 0.000 1.326 491 H CA -0.378 55.692 56.048 0.037 0.000 1.124 491 H CB 1.102 30.734 29.762 -0.216 0.000 1.853 491 H HN 0.672 nan 8.280 nan 0.000 0.536 492 A N 0.180 123.178 122.820 0.297 0.000 1.940 492 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 492 A C 1.510 179.193 177.584 0.165 0.000 1.190 492 A CA 2.126 54.301 52.037 0.230 0.000 0.647 492 A CB -0.700 18.373 19.000 0.121 0.000 0.821 492 A HN 0.725 nan 8.150 nan 0.000 0.457 493 E N -0.219 120.169 120.200 0.313 0.000 2.479 493 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 493 E C 1.458 178.048 176.600 -0.017 0.000 1.049 493 E CA 0.810 57.309 56.400 0.166 0.000 0.870 493 E CB -0.036 29.808 29.700 0.239 0.000 0.944 493 E HN 0.745 nan 8.360 nan 0.000 0.492 494 S N -0.092 115.438 115.700 -0.283 0.000 2.554 494 S HA 0.105 4.575 4.470 -0.000 0.000 0.226 494 S C 0.776 175.267 174.600 -0.182 0.000 0.980 494 S CA -0.488 57.543 58.200 -0.282 0.000 0.939 494 S CB 0.098 63.011 63.200 -0.478 0.000 0.832 494 S HN -0.045 nan 8.310 nan 0.000 0.486 495 K N 2.148 122.402 120.400 -0.243 0.000 2.350 495 K HA 0.345 4.664 4.320 -0.000 0.000 0.279 495 K C -0.057 176.332 176.600 -0.352 0.000 1.027 495 K CA -0.512 55.430 56.287 -0.575 0.000 0.969 495 K CB 0.323 32.390 32.500 -0.721 0.000 0.954 495 K HN 0.282 nan 8.250 nan 0.000 0.474 496 L N 0.000 121.015 121.223 -0.346 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.721 54.840 -0.197 0.000 0.813 496 L CB 0.000 41.970 42.059 -0.148 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502