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 1xd0_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.956 175.900 0.093 0.000 1.272 2 Y CA 0.000 58.186 58.100 0.143 0.000 1.940 2 Y CB 0.000 38.480 38.460 0.033 0.000 1.050 3 S N 3.014 118.783 115.700 0.115 0.000 2.513 3 S HA 0.314 4.783 4.470 -0.000 0.000 0.276 3 S C -1.901 172.398 174.600 -0.501 0.000 1.254 3 S CA -1.294 56.805 58.200 -0.169 0.000 1.053 3 S CB 1.264 64.417 63.200 -0.079 0.000 0.958 3 S HN -0.050 nan 8.310 nan 0.000 0.491 4 P HA 0.032 nan 4.420 nan 0.000 0.222 4 P C 0.022 177.034 177.300 -0.481 0.000 1.147 4 P CA 0.560 62.731 63.100 -1.548 0.000 0.790 4 P CB -0.065 30.601 31.700 -1.722 0.000 0.780 5 N N -2.491 116.073 118.700 -0.228 0.000 2.782 5 N HA -0.109 4.631 4.740 -0.000 0.000 0.251 5 N C -0.131 175.457 175.510 0.130 0.000 1.101 5 N CA 1.481 54.552 53.050 0.035 0.000 0.764 5 N CB -2.350 36.189 38.487 0.087 0.000 1.122 5 N HN 0.320 nan 8.380 nan 0.000 0.561 6 T N -2.231 112.343 114.554 0.033 0.000 2.828 6 T HA 0.232 4.582 4.350 -0.000 0.000 0.290 6 T C 0.545 175.278 174.700 0.055 0.000 1.019 6 T CA -0.484 61.669 62.100 0.087 0.000 1.031 6 T CB 1.947 70.882 68.868 0.111 0.000 1.001 6 T HN 0.231 nan 8.240 nan 0.000 0.531 7 Q N 0.824 120.646 119.800 0.037 0.000 2.392 7 Q HA 0.110 4.450 4.340 -0.000 0.000 0.262 7 Q C -0.467 175.539 176.000 0.011 0.000 1.003 7 Q CA -0.611 55.198 55.803 0.009 0.000 0.888 7 Q CB 0.416 29.146 28.738 -0.013 0.000 1.260 7 Q HN 0.572 nan 8.270 nan 0.000 0.435 8 Q N 1.749 121.551 119.800 0.004 0.000 2.269 8 Q HA 0.189 4.529 4.340 -0.000 0.000 0.300 8 Q C 0.833 176.829 176.000 -0.007 0.000 1.070 8 Q CA 1.489 57.291 55.803 -0.000 0.000 0.957 8 Q CB 0.190 28.926 28.738 -0.003 0.000 1.131 8 Q HN 0.955 nan 8.270 nan 0.000 0.377 9 G N 2.269 111.064 108.800 -0.009 0.000 2.194 9 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 9 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 9 G C -0.158 174.724 174.900 -0.030 0.000 0.987 9 G CA -0.281 44.805 45.100 -0.023 0.000 0.635 9 G HN 0.473 nan 8.290 nan 0.000 0.520 10 R N 0.669 121.164 120.500 -0.008 0.000 2.343 10 R HA 0.553 4.893 4.340 -0.000 0.000 0.320 10 R C 0.914 177.230 176.300 0.026 0.000 0.956 10 R CA 0.221 56.316 56.100 -0.009 0.000 0.836 10 R CB 1.128 31.439 30.300 0.019 0.000 1.151 10 R HN 0.305 nan 8.270 nan 0.000 0.450 11 T N -2.544 111.984 114.554 -0.044 0.000 3.084 11 T HA 0.242 4.591 4.350 -0.000 0.000 0.270 11 T C 0.324 174.787 174.700 -0.395 0.000 1.008 11 T CA -0.253 61.805 62.100 -0.070 0.000 0.900 11 T CB 0.405 69.218 68.868 -0.092 0.000 1.084 11 T HN 0.272 nan 8.240 nan 0.000 0.538 12 S N 1.232 116.742 115.700 -0.316 0.000 2.588 12 S HA 0.788 5.257 4.470 -0.000 0.000 0.275 12 S C -0.812 173.727 174.600 -0.101 0.000 1.130 12 S CA -1.082 56.855 58.200 -0.439 0.000 0.855 12 S CB 1.785 64.784 63.200 -0.334 0.000 1.116 12 S HN 0.590 nan 8.310 nan 0.000 0.472 13 I N -1.089 119.450 120.570 -0.052 0.000 2.846 13 I HA 0.919 5.089 4.170 -0.000 0.000 0.307 13 I C -0.979 175.232 176.117 0.157 0.000 1.053 13 I CA -1.089 60.321 61.300 0.183 0.000 1.050 13 I CB 1.771 39.957 38.000 0.310 0.000 1.239 13 I HN 0.430 nan 8.210 nan 0.000 0.439 14 V N 3.289 123.305 119.914 0.171 0.000 2.555 14 V HA 0.423 4.542 4.120 -0.000 0.000 0.302 14 V C -1.109 175.024 176.094 0.066 0.000 1.038 14 V CA -0.339 62.008 62.300 0.078 0.000 0.887 14 V CB 1.614 33.383 31.823 -0.089 0.000 0.991 14 V HN 0.867 nan 8.190 nan 0.000 0.434 15 H N 6.727 125.770 119.070 -0.046 0.000 2.741 15 H HA 0.416 4.972 4.556 -0.000 0.000 0.282 15 H C -0.382 174.881 175.328 -0.109 0.000 1.122 15 H CA -0.572 55.469 56.048 -0.012 0.000 1.293 15 H CB 0.553 30.342 29.762 0.046 0.000 1.415 15 H HN 0.605 nan 8.280 nan 0.000 0.472 16 L N 6.939 128.041 121.223 -0.201 0.000 2.466 16 L HA 0.093 4.433 4.340 -0.000 0.000 0.248 16 L C 0.086 176.819 176.870 -0.228 0.000 1.240 16 L CA -0.626 53.801 54.840 -0.687 0.000 1.180 16 L CB -0.728 40.610 42.059 -1.201 0.000 1.413 16 L HN 0.465 nan 8.230 nan 0.000 0.406 17 F N 4.197 123.896 119.950 -0.419 0.000 2.569 17 F HA -0.062 4.464 4.527 -0.001 0.000 0.395 17 F C 1.372 177.397 175.800 0.375 0.000 1.028 17 F CA 0.309 58.169 58.000 -0.233 0.000 1.158 17 F CB -0.137 38.643 39.000 -0.367 0.000 1.023 17 F HN 0.501 nan 8.300 nan 0.000 0.547 18 E N 2.426 122.643 120.200 0.028 0.000 3.496 18 E HA -0.302 4.048 4.350 -0.000 0.000 0.300 18 E C -0.556 176.169 176.600 0.207 0.000 0.877 18 E CA 0.895 57.297 56.400 0.005 0.000 1.050 18 E CB -1.708 27.854 29.700 -0.230 0.000 1.532 18 E HN 0.617 nan 8.360 nan 0.000 0.447 19 W N 1.613 122.854 121.300 -0.097 0.000 2.170 19 W HA 0.212 4.872 4.660 -0.001 0.000 0.336 19 W C 1.504 177.854 176.519 -0.281 0.000 1.283 19 W CA -0.038 57.139 57.345 -0.280 0.000 1.224 19 W CB 0.280 29.580 29.460 -0.267 0.000 1.132 19 W HN -0.100 nan 8.180 nan 0.000 0.571 20 R N 1.807 122.221 120.500 -0.143 0.000 2.582 20 R HA 0.091 4.430 4.340 -0.000 0.000 0.271 20 R C 1.035 177.343 176.300 0.012 0.000 1.078 20 R CA -0.369 55.575 56.100 -0.260 0.000 1.127 20 R CB 0.537 30.707 30.300 -0.215 0.000 1.038 20 R HN 0.695 nan 8.270 nan 0.000 0.500 21 W N 1.076 122.417 121.300 0.069 0.000 2.338 21 W HA -0.242 4.418 4.660 -0.000 0.000 0.304 21 W C 2.024 178.549 176.519 0.010 0.000 1.212 21 W CA 0.577 57.951 57.345 0.048 0.000 1.264 21 W CB -0.440 29.064 29.460 0.073 0.000 1.142 21 W HN 0.483 nan 8.180 nan 0.000 0.512 22 V N -1.754 118.290 119.914 0.218 0.000 2.490 22 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 22 V C 1.629 177.766 176.094 0.072 0.000 1.061 22 V CA 2.255 64.622 62.300 0.111 0.000 1.064 22 V CB -0.827 31.032 31.823 0.060 0.000 0.670 22 V HN 0.091 nan 8.190 nan 0.000 0.461 23 D N 0.611 121.043 120.400 0.054 0.000 2.149 23 D HA 0.002 4.642 4.640 -0.000 0.000 0.201 23 D C 2.198 178.630 176.300 0.219 0.000 0.972 23 D CA 1.804 55.820 54.000 0.027 0.000 0.835 23 D CB 0.018 40.690 40.800 -0.213 0.000 0.966 23 D HN 0.519 nan 8.370 nan 0.000 0.476 24 I N 1.350 122.088 120.570 0.279 0.000 2.252 24 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 24 I C 2.581 178.743 176.117 0.075 0.000 1.102 24 I CA 0.640 62.061 61.300 0.201 0.000 1.385 24 I CB -0.205 37.900 38.000 0.175 0.000 1.064 24 I HN -0.106 nan 8.210 nan 0.000 0.414 25 A N 1.754 124.612 122.820 0.063 0.000 1.883 25 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 25 A C 2.346 179.940 177.584 0.016 0.000 1.186 25 A CA 2.006 54.047 52.037 0.005 0.000 0.624 25 A CB -0.947 18.059 19.000 0.009 0.000 0.822 25 A HN 0.588 nan 8.150 nan 0.000 0.444 26 L N -2.569 118.680 121.223 0.043 0.000 2.240 26 L HA 0.067 4.407 4.340 -0.000 0.000 0.211 26 L C 2.075 178.986 176.870 0.068 0.000 1.106 26 L CA 2.205 57.072 54.840 0.044 0.000 0.793 26 L CB -0.507 41.573 42.059 0.035 0.000 0.927 26 L HN 0.314 nan 8.230 nan 0.000 0.446 27 E N 0.489 120.749 120.200 0.100 0.000 2.150 27 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 27 E C 2.076 178.721 176.600 0.075 0.000 0.985 27 E CA 1.728 58.205 56.400 0.128 0.000 0.814 27 E CB -0.369 29.443 29.700 0.186 0.000 0.752 27 E HN 0.603 nan 8.360 nan 0.000 0.466 28 c N 0.605 119.215 118.600 0.016 0.000 2.429 28 c HA -0.091 4.479 4.570 -0.000 0.000 0.277 28 c C 2.308 176.403 174.090 0.008 0.000 1.262 28 c CA 1.230 57.549 56.329 -0.017 0.000 1.733 28 c CB -0.814 41.658 42.510 -0.064 0.000 2.010 28 c HN 0.541 nan 8.230 nan 0.000 0.483 29 E N 0.423 120.634 120.200 0.018 0.000 2.076 29 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 29 E C 2.322 178.950 176.600 0.047 0.000 0.979 29 E CA 0.809 57.222 56.400 0.023 0.000 0.807 29 E CB -0.235 29.475 29.700 0.017 0.000 0.761 29 E HN 0.697 nan 8.360 nan 0.000 0.454 30 R N -0.852 119.695 120.500 0.079 0.000 2.246 30 R HA -0.001 4.338 4.340 -0.000 0.000 0.199 30 R C 1.161 177.569 176.300 0.181 0.000 0.984 30 R CA 0.963 57.128 56.100 0.109 0.000 1.015 30 R CB 0.078 30.442 30.300 0.108 0.000 0.930 30 R HN 0.244 nan 8.270 nan 0.000 0.475 31 Y N 0.025 120.338 120.300 0.022 0.000 3.147 31 Y HA 0.249 4.799 4.550 -0.000 0.000 0.219 31 Y C 1.754 177.670 175.900 0.028 0.000 1.021 31 Y CA -0.240 57.876 58.100 0.027 0.000 1.440 31 Y CB 0.146 38.617 38.460 0.018 0.000 1.472 31 Y HN -0.162 nan 8.280 nan 0.000 0.408 32 L N 0.756 122.047 121.223 0.114 0.000 2.013 32 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 32 L C 2.630 179.555 176.870 0.091 0.000 1.073 32 L CA 1.756 56.611 54.840 0.026 0.000 0.753 32 L CB -0.997 41.039 42.059 -0.038 0.000 0.890 32 L HN 0.418 nan 8.230 nan 0.000 0.432 33 A N 0.504 123.345 122.820 0.036 0.000 1.858 33 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 33 A C 0.159 177.748 177.584 0.008 0.000 1.190 33 A CA 1.724 53.774 52.037 0.022 0.000 0.617 33 A CB -1.894 17.106 19.000 0.000 0.000 0.827 33 A HN 0.346 nan 8.150 nan 0.000 0.443 34 P HA -0.096 nan 4.420 nan 0.000 0.223 34 P C 0.424 177.687 177.300 -0.061 0.000 1.151 34 P CA 0.937 64.014 63.100 -0.038 0.000 0.787 34 P CB -0.011 31.665 31.700 -0.040 0.000 0.788 35 K N -0.733 119.613 120.400 -0.091 0.000 2.404 35 K HA 0.208 4.528 4.320 -0.000 0.000 0.194 35 K C 1.374 177.994 176.600 0.035 0.000 1.023 35 K CA 0.458 56.707 56.287 -0.064 0.000 1.094 35 K CB -0.756 31.600 32.500 -0.240 0.000 0.841 35 K HN 0.230 nan 8.250 nan 0.000 0.523 36 G N 1.672 110.498 108.800 0.045 0.000 2.147 36 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.244 36 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.244 36 G C -0.212 174.666 174.900 -0.037 0.000 1.005 36 G CA -0.287 44.805 45.100 -0.013 0.000 0.713 36 G HN 0.187 nan 8.290 nan 0.000 0.515 37 F N 0.452 120.383 119.950 -0.031 0.000 2.443 37 F HA 0.508 5.035 4.527 -0.000 0.000 0.353 37 F C 1.803 177.604 175.800 0.003 0.000 1.101 37 F CA 0.772 58.770 58.000 -0.003 0.000 1.226 37 F CB 1.360 40.372 39.000 0.020 0.000 1.140 37 F HN -0.002 nan 8.300 nan 0.000 0.557 38 G N 1.483 110.382 108.800 0.164 0.000 2.408 38 G HA2 0.386 4.346 3.960 -0.000 0.000 0.215 38 G HA3 0.386 4.346 3.960 -0.000 0.000 0.215 38 G C 0.499 175.511 174.900 0.187 0.000 1.156 38 G CA 0.694 45.890 45.100 0.161 0.000 0.793 38 G HN 1.012 nan 8.290 nan 0.000 0.535 39 G N -2.109 106.833 108.800 0.236 0.000 2.495 39 G HA2 0.467 4.427 3.960 -0.000 0.000 0.294 39 G HA3 0.467 4.427 3.960 -0.000 0.000 0.294 39 G C -2.202 172.793 174.900 0.159 0.000 1.397 39 G CA -0.262 44.939 45.100 0.168 0.000 0.790 39 G HN 0.481 nan 8.290 nan 0.000 0.486 40 V N 0.280 120.224 119.914 0.051 0.000 2.638 40 V HA 0.572 4.692 4.120 -0.000 0.000 0.306 40 V C -0.240 175.952 176.094 0.163 0.000 1.052 40 V CA -0.684 61.646 62.300 0.049 0.000 0.885 40 V CB 1.691 33.453 31.823 -0.102 0.000 0.999 40 V HN 0.860 nan 8.190 nan 0.000 0.424 41 Q N 3.232 123.180 119.800 0.248 0.000 2.303 41 Q HA 0.649 4.989 4.340 -0.000 0.000 0.257 41 Q C -0.682 175.499 176.000 0.302 0.000 0.941 41 Q CA -0.451 55.527 55.803 0.291 0.000 0.931 41 Q CB 1.866 30.731 28.738 0.212 0.000 1.215 41 Q HN 0.816 nan 8.270 nan 0.000 0.437 42 V N 1.036 121.114 119.914 0.273 0.000 2.966 42 V HA 0.611 4.731 4.120 -0.000 0.000 0.317 42 V C 0.043 176.403 176.094 0.444 0.000 1.070 42 V CA -0.814 61.716 62.300 0.384 0.000 1.008 42 V CB 1.710 33.742 31.823 0.349 0.000 1.070 42 V HN 0.766 nan 8.190 nan 0.000 0.457 43 S N 2.595 118.610 115.700 0.525 0.000 2.593 43 S HA 0.367 4.837 4.470 -0.000 0.000 0.269 43 S C -2.401 172.412 174.600 0.354 0.000 1.334 43 S CA -0.408 58.041 58.200 0.416 0.000 1.015 43 S CB 0.317 63.705 63.200 0.314 0.000 0.912 43 S HN 0.842 nan 8.310 nan 0.000 0.541 44 P HA 0.020 nan 4.420 nan 0.000 0.258 44 P C -1.867 175.565 177.300 0.219 0.000 1.172 44 P CA -0.591 62.579 63.100 0.118 0.000 0.762 44 P CB 0.088 31.724 31.700 -0.106 0.000 0.764 45 P HA -0.043 nan 4.420 nan 0.000 0.255 45 P C -0.255 177.124 177.300 0.132 0.000 1.248 45 P CA 0.537 63.795 63.100 0.263 0.000 0.807 45 P CB 0.222 31.806 31.700 -0.192 0.000 1.150 46 N N 0.596 119.354 118.700 0.097 0.000 2.508 46 N HA 0.050 4.790 4.740 -0.000 0.000 0.285 46 N C -0.189 175.292 175.510 -0.048 0.000 1.144 46 N CA -0.469 52.581 53.050 -0.000 0.000 0.978 46 N CB 1.306 39.711 38.487 -0.138 0.000 1.180 46 N HN -0.020 nan 8.380 nan 0.000 0.484 47 E N 0.523 120.677 120.200 -0.078 0.000 2.529 47 E HA -0.093 4.257 4.350 -0.000 0.000 0.259 47 E C -0.384 176.122 176.600 -0.157 0.000 0.966 47 E CA 0.001 56.341 56.400 -0.099 0.000 0.937 47 E CB 0.286 29.929 29.700 -0.094 0.000 0.923 47 E HN 0.741 nan 8.360 nan 0.000 0.468 48 N N 1.939 120.548 118.700 -0.152 0.000 2.577 48 N HA 0.253 4.993 4.740 -0.000 0.000 0.285 48 N C -0.873 174.506 175.510 -0.219 0.000 1.309 48 N CA -0.767 52.176 53.050 -0.179 0.000 0.798 48 N CB 1.013 39.420 38.487 -0.133 0.000 1.463 48 N HN 0.184 nan 8.380 nan 0.000 0.518 49 V N 0.231 120.009 119.914 -0.225 0.000 2.637 49 V HA 0.328 4.448 4.120 -0.000 0.000 0.296 49 V C 0.653 176.662 176.094 -0.142 0.000 1.046 49 V CA -0.527 61.652 62.300 -0.202 0.000 1.066 49 V CB 0.611 32.374 31.823 -0.099 0.000 0.968 49 V HN 0.839 nan 8.190 nan 0.000 0.483 50 A N 6.917 129.674 122.820 -0.106 0.000 2.316 50 A HA 0.604 4.924 4.320 -0.000 0.000 0.311 50 A C -0.315 177.085 177.584 -0.306 0.000 1.339 50 A CA -0.430 51.460 52.037 -0.245 0.000 0.960 50 A CB -0.226 18.680 19.000 -0.157 0.000 1.152 50 A HN 0.603 nan 8.150 nan 0.000 0.547 51 I N 2.987 123.299 120.570 -0.431 0.000 2.331 51 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 51 I C -0.147 175.622 176.117 -0.580 0.000 0.998 51 I CA 0.100 61.192 61.300 -0.347 0.000 1.267 51 I CB 0.711 38.537 38.000 -0.290 0.000 1.386 51 I HN 0.732 nan 8.210 nan 0.000 0.476 52 Y N 3.508 123.743 120.300 -0.108 0.000 2.467 52 Y HA 0.168 4.717 4.550 -0.001 0.000 0.250 52 Y C 0.792 176.686 175.900 -0.010 0.000 1.155 52 Y CA -0.249 57.822 58.100 -0.048 0.000 1.249 52 Y CB 0.380 38.861 38.460 0.035 0.000 1.146 52 Y HN 0.562 nan 8.280 nan 0.000 0.524 53 N N 1.480 120.197 118.700 0.027 0.000 2.640 53 N HA 0.225 4.965 4.740 -0.000 0.000 0.262 53 N C -2.960 172.477 175.510 -0.122 0.000 1.174 53 N CA -1.717 51.309 53.050 -0.039 0.000 0.791 53 N CB 1.100 39.596 38.487 0.015 0.000 1.279 53 N HN -0.152 nan 8.380 nan 0.000 0.535 54 P HA 0.177 nan 4.420 nan 0.000 0.274 54 P C -0.491 176.615 177.300 -0.325 0.000 1.256 54 P CA -0.404 62.343 63.100 -0.588 0.000 0.795 54 P CB 0.638 31.480 31.700 -1.431 0.000 1.038 55 F N 2.740 122.521 119.950 -0.282 0.000 2.506 55 F HA 0.069 4.596 4.527 -0.001 0.000 0.369 55 F C 0.802 176.567 175.800 -0.058 0.000 1.114 55 F CA -0.081 57.883 58.000 -0.060 0.000 1.121 55 F CB -0.200 38.853 39.000 0.087 0.000 1.104 55 F HN 0.230 nan 8.300 nan 0.000 0.564 56 R N 3.608 123.633 120.500 -0.791 0.000 3.092 56 R HA -0.162 4.178 4.340 -0.000 0.000 0.245 56 R C -2.608 173.432 176.300 -0.434 0.000 0.881 56 R CA 0.290 55.947 56.100 -0.738 0.000 0.614 56 R CB -2.401 27.339 30.300 -0.934 0.000 1.128 56 R HN 0.417 nan 8.270 nan 0.000 0.483 57 P HA -0.042 nan 4.420 nan 0.000 0.272 57 P C 1.528 178.507 177.300 -0.536 0.000 1.230 57 P CA -0.472 62.279 63.100 -0.582 0.000 0.788 57 P CB 0.254 31.066 31.700 -1.481 0.000 0.949 58 W N 3.350 124.515 121.300 -0.224 0.000 2.342 58 W HA -0.137 4.522 4.660 -0.001 0.000 0.297 58 W C 1.774 178.400 176.519 0.177 0.000 1.213 58 W CA 0.975 58.323 57.345 0.006 0.000 1.251 58 W CB -1.934 27.692 29.460 0.276 0.000 1.136 58 W HN 0.488 nan 8.180 nan 0.000 0.526 59 W N 3.462 124.226 121.300 -0.894 0.000 2.721 59 W HA -0.041 4.619 4.660 -0.000 0.000 0.245 59 W C 1.618 178.034 176.519 -0.173 0.000 1.276 59 W CA 0.995 57.919 57.345 -0.703 0.000 1.342 59 W CB -1.357 27.353 29.460 -1.250 0.000 1.135 59 W HN 0.231 nan 8.180 nan 0.000 0.654 60 E N 1.826 121.963 120.200 -0.105 0.000 2.268 60 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 60 E C 1.843 178.450 176.600 0.011 0.000 0.995 60 E CA 0.885 57.267 56.400 -0.029 0.000 0.836 60 E CB -0.557 28.986 29.700 -0.261 0.000 0.763 60 E HN 0.266 nan 8.360 nan 0.000 0.491 61 R N -0.406 120.095 120.500 0.002 0.000 2.316 61 R HA -0.032 4.308 4.340 -0.000 0.000 0.202 61 R C 0.434 176.576 176.300 -0.264 0.000 1.029 61 R CA 0.741 56.765 56.100 -0.126 0.000 1.018 61 R CB -0.062 30.147 30.300 -0.152 0.000 0.888 61 R HN 0.334 nan 8.270 nan 0.000 0.471 62 Y N 0.265 120.669 120.300 0.173 0.000 2.625 62 Y HA 0.205 4.755 4.550 -0.000 0.000 0.285 62 Y C 0.167 176.194 175.900 0.212 0.000 1.168 62 Y CA -0.082 58.150 58.100 0.220 0.000 1.250 62 Y CB 0.606 39.234 38.460 0.281 0.000 1.130 62 Y HN -0.102 nan 8.280 nan 0.000 0.526 63 Q N 1.155 121.061 119.800 0.176 0.000 2.798 63 Q HA 0.274 4.614 4.340 -0.000 0.000 0.250 63 Q C -2.735 173.260 176.000 -0.009 0.000 1.006 63 Q CA -2.056 53.824 55.803 0.128 0.000 0.759 63 Q CB 1.360 30.169 28.738 0.119 0.000 1.201 63 Q HN 0.075 nan 8.270 nan 0.000 0.486 64 P HA -0.052 nan 4.420 nan 0.000 0.266 64 P C 0.140 177.312 177.300 -0.214 0.000 1.195 64 P CA 0.151 63.148 63.100 -0.171 0.000 0.768 64 P CB 1.239 32.814 31.700 -0.209 0.000 0.838 65 V N 0.897 120.649 119.914 -0.270 0.000 3.359 65 V HA 0.104 4.224 4.120 -0.000 0.000 0.245 65 V C 0.828 176.832 176.094 -0.150 0.000 1.247 65 V CA 1.475 63.645 62.300 -0.218 0.000 1.145 65 V CB 0.456 31.989 31.823 -0.483 0.000 0.906 65 V HN 0.794 nan 8.190 nan 0.000 0.464 66 S N -2.237 113.258 115.700 -0.342 0.000 2.724 66 S HA 0.455 4.925 4.470 -0.000 0.000 0.278 66 S C -0.856 173.342 174.600 -0.669 0.000 1.190 66 S CA -0.379 57.540 58.200 -0.469 0.000 0.860 66 S CB 0.927 64.011 63.200 -0.193 0.000 1.206 66 S HN -0.026 nan 8.310 nan 0.000 0.507 67 Y N 0.861 121.018 120.300 -0.238 0.000 2.607 67 Y HA 0.466 5.016 4.550 -0.000 0.000 0.266 67 Y C 0.534 176.359 175.900 -0.124 0.000 1.178 67 Y CA -0.805 57.070 58.100 -0.375 0.000 1.226 67 Y CB -0.106 38.084 38.460 -0.450 0.000 1.144 67 Y HN 0.376 nan 8.280 nan 0.000 0.528 68 K N 1.209 121.624 120.400 0.025 0.000 2.350 68 K HA 0.247 4.567 4.320 -0.000 0.000 0.279 68 K C -0.243 176.402 176.600 0.074 0.000 1.027 68 K CA -0.172 56.161 56.287 0.077 0.000 0.969 68 K CB 0.781 33.309 32.500 0.046 0.000 0.954 68 K HN 0.163 nan 8.250 nan 0.000 0.474 69 L N 3.689 124.972 121.223 0.099 0.000 2.384 69 L HA 0.164 4.503 4.340 -0.000 0.000 0.258 69 L C -0.251 176.691 176.870 0.119 0.000 1.266 69 L CA -0.531 54.340 54.840 0.052 0.000 1.162 69 L CB -0.142 41.872 42.059 -0.075 0.000 1.375 69 L HN 0.587 nan 8.230 nan 0.000 0.420 70 c N 2.335 120.998 118.600 0.104 0.000 2.892 70 c HA 0.650 5.220 4.570 -0.000 0.000 0.360 70 c C 0.356 174.477 174.090 0.052 0.000 1.054 70 c CA -0.100 56.288 56.329 0.097 0.000 1.326 70 c CB 0.497 43.049 42.510 0.070 0.000 1.806 70 c HN 0.850 nan 8.230 nan 0.000 0.490 71 T N 1.949 116.531 114.554 0.046 0.000 2.654 71 T HA 0.506 4.856 4.350 -0.000 0.000 0.289 71 T C 0.953 175.586 174.700 -0.112 0.000 1.062 71 T CA -0.660 61.417 62.100 -0.039 0.000 1.041 71 T CB 1.043 69.891 68.868 -0.033 0.000 1.417 71 T HN 0.531 nan 8.240 nan 0.000 0.510 72 R N 0.104 120.506 120.500 -0.164 0.000 2.237 72 R HA 0.051 4.391 4.340 -0.000 0.000 0.219 72 R C 2.025 178.150 176.300 -0.291 0.000 1.080 72 R CA 0.893 56.879 56.100 -0.189 0.000 0.995 72 R CB -0.379 29.809 30.300 -0.186 0.000 0.875 72 R HN 0.540 nan 8.270 nan 0.000 0.462 73 S N -0.472 114.937 115.700 -0.485 0.000 2.496 73 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 73 S C 0.754 174.778 174.600 -0.962 0.000 0.996 73 S CA 0.653 58.297 58.200 -0.928 0.000 0.927 73 S CB 0.710 62.834 63.200 -1.792 0.000 0.774 73 S HN 0.644 nan 8.310 nan 0.000 0.524 74 G N 1.434 109.948 108.800 -0.478 0.000 2.369 74 G HA2 0.108 4.068 3.960 -0.000 0.000 0.295 74 G HA3 0.108 4.068 3.960 -0.000 0.000 0.295 74 G C -1.225 173.809 174.900 0.223 0.000 1.298 74 G CA -0.612 44.447 45.100 -0.068 0.000 0.940 74 G HN 0.348 nan 8.290 nan 0.000 0.536 75 N N -0.729 118.141 118.700 0.284 0.000 2.566 75 N HA 0.439 5.179 4.740 -0.000 0.000 0.299 75 N C 1.089 176.799 175.510 0.334 0.000 1.277 75 N CA 0.165 53.371 53.050 0.259 0.000 0.965 75 N CB 0.806 39.393 38.487 0.167 0.000 1.142 75 N HN 0.753 nan 8.380 nan 0.000 0.596 76 E N -0.943 119.396 120.200 0.232 0.000 2.106 76 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 76 E C 0.427 177.162 176.600 0.225 0.000 0.984 76 E CA 1.210 57.741 56.400 0.218 0.000 0.806 76 E CB -0.118 29.689 29.700 0.178 0.000 0.750 76 E HN 0.531 nan 8.360 nan 0.000 0.458 77 D N 0.449 120.961 120.400 0.187 0.000 2.117 77 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 77 D C 1.673 178.065 176.300 0.153 0.000 0.987 77 D CA 1.092 55.182 54.000 0.150 0.000 0.829 77 D CB -0.052 40.821 40.800 0.122 0.000 0.961 77 D HN 0.382 nan 8.370 nan 0.000 0.460 78 E N 0.003 120.332 120.200 0.215 0.000 2.152 78 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 78 E C 1.853 178.581 176.600 0.213 0.000 0.983 78 E CA 0.262 56.810 56.400 0.246 0.000 0.818 78 E CB -0.125 29.776 29.700 0.334 0.000 0.758 78 E HN 0.210 nan 8.360 nan 0.000 0.467 79 F N 2.057 122.014 119.950 0.012 0.000 2.084 79 F HA -0.119 4.408 4.527 -0.000 0.000 0.296 79 F C 2.184 177.816 175.800 -0.280 0.000 1.111 79 F CA 1.485 59.228 58.000 -0.427 0.000 1.224 79 F CB 0.079 38.784 39.000 -0.493 0.000 0.991 79 F HN -0.222 nan 8.300 nan 0.000 0.471 80 R N 0.163 120.632 120.500 -0.052 0.000 2.096 80 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 80 R C 2.241 178.462 176.300 -0.131 0.000 1.127 80 R CA 1.356 57.401 56.100 -0.092 0.000 0.968 80 R CB -0.983 29.357 30.300 0.067 0.000 0.861 80 R HN 0.442 nan 8.270 nan 0.000 0.440 81 N N 1.305 119.965 118.700 -0.068 0.000 2.120 81 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 81 N C 1.844 177.283 175.510 -0.118 0.000 1.024 81 N CA 1.328 54.352 53.050 -0.044 0.000 0.852 81 N CB 0.009 38.506 38.487 0.015 0.000 1.003 81 N HN 0.230 nan 8.380 nan 0.000 0.424 82 M N 0.794 120.273 119.600 -0.201 0.000 2.067 82 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 82 M C 1.953 178.024 176.300 -0.382 0.000 1.069 82 M CA 1.435 56.579 55.300 -0.260 0.000 1.117 82 M CB -0.138 32.279 32.600 -0.305 0.000 1.334 82 M HN -0.038 nan 8.290 nan 0.000 0.407 83 V N 0.656 120.228 119.914 -0.571 0.000 2.332 83 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 83 V C 2.345 178.131 176.094 -0.513 0.000 1.055 83 V CA 2.379 64.322 62.300 -0.596 0.000 1.038 83 V CB -1.328 30.093 31.823 -0.669 0.000 0.651 83 V HN 0.601 nan 8.190 nan 0.000 0.450 84 T N -0.307 114.054 114.554 -0.322 0.000 2.674 84 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 84 T C 2.085 176.705 174.700 -0.132 0.000 1.039 84 T CA 1.660 63.673 62.100 -0.145 0.000 1.150 84 T CB -0.246 68.684 68.868 0.103 0.000 0.864 84 T HN 0.417 nan 8.240 nan 0.000 0.427 85 R N 0.056 120.485 120.500 -0.118 0.000 2.096 85 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 85 R C 2.780 178.998 176.300 -0.137 0.000 1.127 85 R CA 1.299 57.349 56.100 -0.084 0.000 0.968 85 R CB -0.704 29.561 30.300 -0.058 0.000 0.861 85 R HN 0.381 nan 8.270 nan 0.000 0.440 86 c N 0.544 119.013 118.600 -0.219 0.000 2.446 86 c HA 0.002 4.572 4.570 -0.000 0.000 0.277 86 c C 2.283 176.191 174.090 -0.303 0.000 1.275 86 c CA 0.380 56.567 56.329 -0.237 0.000 1.727 86 c CB -0.920 41.426 42.510 -0.272 0.000 2.010 86 c HN 0.504 nan 8.230 nan 0.000 0.486 87 N N 1.621 120.025 118.700 -0.494 0.000 2.166 87 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 87 N C 1.311 176.570 175.510 -0.419 0.000 1.019 87 N CA 1.059 53.676 53.050 -0.722 0.000 0.856 87 N CB -0.613 36.886 38.487 -1.647 0.000 0.993 87 N HN 0.499 nan 8.380 nan 0.000 0.426 88 N N 0.261 118.856 118.700 -0.175 0.000 2.443 88 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 88 N C 1.342 176.844 175.510 -0.013 0.000 1.037 88 N CA 0.572 53.648 53.050 0.043 0.000 0.896 88 N CB 0.092 38.640 38.487 0.100 0.000 0.959 88 N HN 0.271 nan 8.380 nan 0.000 0.442 89 V N -4.601 115.271 119.914 -0.070 0.000 3.376 89 V HA 0.552 4.672 4.120 -0.000 0.000 0.313 89 V C 1.124 177.179 176.094 -0.065 0.000 1.393 89 V CA 0.193 62.463 62.300 -0.050 0.000 1.125 89 V CB -0.018 31.781 31.823 -0.039 0.000 1.037 89 V HN 0.164 nan 8.190 nan 0.000 0.440 90 G N 0.352 109.088 108.800 -0.106 0.000 2.136 90 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.242 90 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.242 90 G C -0.006 174.834 174.900 -0.101 0.000 0.989 90 G CA 0.122 45.158 45.100 -0.107 0.000 0.682 90 G HN 0.937 nan 8.290 nan 0.000 0.522 91 V N 2.292 122.128 119.914 -0.130 0.000 2.370 91 V HA 0.584 4.703 4.120 -0.000 0.000 0.283 91 V C 0.590 176.562 176.094 -0.203 0.000 1.023 91 V CA -1.235 60.999 62.300 -0.110 0.000 0.857 91 V CB 1.380 33.152 31.823 -0.085 0.000 0.985 91 V HN 0.321 nan 8.190 nan 0.000 0.443 92 R N 4.200 124.581 120.500 -0.198 0.000 2.560 92 R HA 0.545 4.885 4.340 -0.000 0.000 0.270 92 R C -0.583 175.368 176.300 -0.582 0.000 1.074 92 R CA -0.736 55.142 56.100 -0.371 0.000 1.140 92 R CB 0.937 31.024 30.300 -0.356 0.000 1.073 92 R HN 0.422 nan 8.270 nan 0.000 0.527 93 I N 2.718 122.872 120.570 -0.693 0.000 2.406 93 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 93 I C -0.726 174.940 176.117 -0.750 0.000 0.999 93 I CA -0.962 59.968 61.300 -0.617 0.000 1.124 93 I CB 1.128 38.837 38.000 -0.485 0.000 1.289 93 I HN 0.396 nan 8.210 nan 0.000 0.441 94 Y N 4.833 125.094 120.300 -0.065 0.000 2.341 94 Y HA 0.471 5.021 4.550 -0.000 0.000 0.338 94 Y C 0.222 176.077 175.900 -0.074 0.000 0.965 94 Y CA -1.004 57.055 58.100 -0.069 0.000 1.108 94 Y CB 1.741 40.303 38.460 0.170 0.000 1.180 94 Y HN 0.175 nan 8.280 nan 0.000 0.458 95 V N 3.060 122.932 119.914 -0.071 0.000 2.509 95 V HA 0.123 4.242 4.120 -0.000 0.000 0.284 95 V C -0.067 176.115 176.094 0.146 0.000 1.047 95 V CA -0.759 61.573 62.300 0.053 0.000 0.952 95 V CB 1.458 33.306 31.823 0.043 0.000 0.988 95 V HN 0.651 nan 8.190 nan 0.000 0.469 96 D N 4.052 124.553 120.400 0.169 0.000 2.374 96 D HA 0.340 4.980 4.640 -0.000 0.000 0.240 96 D C 0.082 176.500 176.300 0.197 0.000 1.229 96 D CA -0.080 54.014 54.000 0.157 0.000 0.895 96 D CB 1.154 42.069 40.800 0.192 0.000 1.046 96 D HN 0.691 nan 8.370 nan 0.000 0.498 97 A N 4.129 127.059 122.820 0.183 0.000 2.279 97 A HA 0.397 4.717 4.320 -0.000 0.000 0.306 97 A C -0.118 177.541 177.584 0.125 0.000 1.300 97 A CA -0.658 51.486 52.037 0.179 0.000 0.925 97 A CB 0.594 19.621 19.000 0.046 0.000 1.152 97 A HN 0.376 nan 8.150 nan 0.000 0.544 98 V N 5.451 125.442 119.914 0.130 0.000 2.284 98 V HA 0.180 4.300 4.120 -0.000 0.000 0.260 98 V C 0.829 176.897 176.094 -0.043 0.000 1.084 98 V CA 0.250 62.570 62.300 0.032 0.000 0.894 98 V CB -0.373 31.466 31.823 0.027 0.000 1.119 98 V HN 0.878 nan 8.190 nan 0.000 0.484 99 I N 0.526 121.055 120.570 -0.069 0.000 4.154 99 I HA 0.349 4.519 4.170 -0.000 0.000 0.334 99 I C 1.503 177.568 176.117 -0.088 0.000 1.371 99 I CA 0.237 61.506 61.300 -0.052 0.000 1.110 99 I CB 0.182 38.156 38.000 -0.044 0.000 1.085 99 I HN 0.466 nan 8.210 nan 0.000 0.398 100 N N 1.558 120.171 118.700 -0.146 0.000 2.354 100 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 100 N C 0.544 176.070 175.510 0.026 0.000 1.021 100 N CA 0.986 54.031 53.050 -0.008 0.000 0.887 100 N CB 0.172 38.759 38.487 0.166 0.000 0.974 100 N HN 0.691 nan 8.380 nan 0.000 0.437 101 H N -3.698 115.391 119.070 0.032 0.000 2.933 101 H HA 0.309 4.865 4.556 0.000 0.000 0.310 101 H C -0.520 174.804 175.328 -0.006 0.000 1.351 101 H CA -0.892 55.168 56.048 0.020 0.000 1.137 101 H CB 0.490 30.265 29.762 0.021 0.000 1.853 101 H HN -0.186 nan 8.280 nan 0.000 0.539 102 M N 0.736 120.416 119.600 0.132 0.000 2.348 102 M HA 0.311 4.791 4.480 -0.000 0.000 0.226 102 M C 1.010 177.374 176.300 0.106 0.000 0.780 102 M CA -0.414 54.849 55.300 -0.061 0.000 1.699 102 M CB 0.266 32.584 32.600 -0.471 0.000 1.192 102 M HN 0.879 nan 8.290 nan 0.000 0.859 103 C N 0.061 119.414 119.300 0.089 0.000 2.480 103 C HA 0.760 5.220 4.460 -0.000 0.000 0.344 103 C C 1.007 176.069 174.990 0.120 0.000 1.380 103 C CA -0.907 58.196 59.018 0.141 0.000 2.386 103 C CB -0.637 27.195 27.740 0.153 0.000 2.210 103 C HN 0.839 nan 8.230 nan 0.000 0.640 104 G N 1.731 110.584 108.800 0.088 0.000 2.380 104 G HA2 0.164 4.123 3.960 -0.000 0.000 0.242 104 G HA3 0.164 4.123 3.960 -0.000 0.000 0.242 104 G C 0.945 175.874 174.900 0.048 0.000 1.298 104 G CA 0.280 45.399 45.100 0.033 0.000 0.878 104 G HN 1.046 nan 8.290 nan 0.000 0.542 105 N N 1.720 120.419 118.700 -0.003 0.000 2.364 105 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 105 N C 1.682 177.181 175.510 -0.018 0.000 1.022 105 N CA 1.136 54.174 53.050 -0.021 0.000 0.883 105 N CB 0.004 38.457 38.487 -0.057 0.000 0.965 105 N HN 0.431 nan 8.380 nan 0.000 0.438 106 A N 0.675 123.489 122.820 -0.010 0.000 2.275 106 A HA 0.284 4.603 4.320 -0.000 0.000 0.212 106 A C 0.752 178.340 177.584 0.006 0.000 1.201 106 A CA -0.340 51.690 52.037 -0.012 0.000 0.843 106 A CB 0.071 19.061 19.000 -0.018 0.000 0.873 106 A HN 0.103 nan 8.150 nan 0.000 0.492 107 V N 1.558 121.497 119.914 0.041 0.000 2.655 107 V HA 0.085 4.205 4.120 -0.000 0.000 0.300 107 V C 0.766 176.861 176.094 0.002 0.000 1.044 107 V CA -0.082 62.263 62.300 0.076 0.000 1.095 107 V CB 1.111 33.052 31.823 0.196 0.000 0.952 107 V HN 0.401 nan 8.190 nan 0.000 0.485 108 S N 3.521 119.205 115.700 -0.027 0.000 2.549 108 S HA 0.426 4.896 4.470 -0.000 0.000 0.283 108 S C 0.512 174.927 174.600 -0.309 0.000 1.320 108 S CA -0.195 57.934 58.200 -0.118 0.000 1.058 108 S CB 0.890 64.045 63.200 -0.075 0.000 0.882 108 S HN 1.059 nan 8.310 nan 0.000 0.498 109 A N 2.552 125.148 122.820 -0.372 0.000 2.425 109 A HA 0.708 5.028 4.320 -0.000 0.000 0.242 109 A C 1.006 178.245 177.584 -0.574 0.000 1.077 109 A CA 0.435 52.090 52.037 -0.637 0.000 0.781 109 A CB -0.302 18.452 19.000 -0.409 0.000 1.020 109 A HN 1.334 nan 8.150 nan 0.000 0.494 110 G N -0.701 107.604 108.800 -0.825 0.000 2.347 110 G HA2 0.377 4.337 3.960 -0.000 0.000 0.224 110 G HA3 0.377 4.337 3.960 -0.000 0.000 0.224 110 G C 0.052 174.767 174.900 -0.309 0.000 1.318 110 G CA 0.587 45.486 45.100 -0.337 0.000 1.016 110 G HN 1.758 nan 8.290 nan 0.000 0.469 111 T N -2.285 112.270 114.554 0.002 0.000 3.331 111 T HA 0.534 4.883 4.350 -0.000 0.000 0.282 111 T C 0.702 175.547 174.700 0.242 0.000 1.010 111 T CA 0.964 63.171 62.100 0.179 0.000 0.928 111 T CB 0.693 69.666 68.868 0.174 0.000 1.154 111 T HN 1.155 nan 8.240 nan 0.000 0.516 112 S N 2.833 118.708 115.700 0.291 0.000 4.139 112 S HA 0.471 4.941 4.470 -0.000 0.000 0.215 112 S C 0.261 175.055 174.600 0.324 0.000 1.390 112 S CA -0.515 57.866 58.200 0.302 0.000 0.885 112 S CB -0.992 62.373 63.200 0.275 0.000 1.560 112 S HN 0.781 nan 8.310 nan 0.000 0.449 113 S N 1.026 116.853 115.700 0.212 0.000 2.627 113 S HA 0.410 4.880 4.470 -0.000 0.000 0.283 113 S C 1.036 175.647 174.600 0.017 0.000 1.127 113 S CA -0.290 57.932 58.200 0.037 0.000 0.863 113 S CB 1.000 64.186 63.200 -0.024 0.000 1.121 113 S HN 0.443 nan 8.310 nan 0.000 0.479 114 T N -3.167 111.361 114.554 -0.044 0.000 3.051 114 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 114 T C 1.013 175.714 174.700 0.001 0.000 1.127 114 T CA 0.927 63.007 62.100 -0.034 0.000 1.107 114 T CB -0.637 68.190 68.868 -0.068 0.000 0.898 114 T HN 0.637 nan 8.240 nan 0.000 0.517 115 c N 0.543 119.153 118.600 0.016 0.000 3.512 115 c HA 0.676 5.246 4.570 -0.000 0.000 0.276 115 c C 1.961 176.087 174.090 0.061 0.000 1.592 115 c CA -0.168 56.183 56.329 0.037 0.000 1.803 115 c CB -0.802 41.728 42.510 0.033 0.000 2.996 115 c HN 0.882 nan 8.230 nan 0.000 0.590 116 G N 1.627 110.475 108.800 0.080 0.000 2.162 116 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 116 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 116 G C 0.205 175.191 174.900 0.142 0.000 0.976 116 G CA 0.625 45.791 45.100 0.109 0.000 0.655 116 G HN 0.591 nan 8.290 nan 0.000 0.533 117 S N -0.172 115.609 115.700 0.136 0.000 2.549 117 S HA 0.414 4.883 4.470 -0.000 0.000 0.283 117 S C 0.066 174.844 174.600 0.297 0.000 1.320 117 S CA -0.352 57.952 58.200 0.173 0.000 1.058 117 S CB 0.770 64.036 63.200 0.110 0.000 0.882 117 S HN 0.539 nan 8.310 nan 0.000 0.498 118 Y N 4.279 124.679 120.300 0.167 0.000 2.336 118 Y HA 0.517 5.067 4.550 -0.000 0.000 0.331 118 Y C -0.441 175.599 175.900 0.233 0.000 1.211 118 Y CA -0.728 57.458 58.100 0.143 0.000 1.346 118 Y CB 0.334 38.810 38.460 0.027 0.000 1.271 118 Y HN 0.571 nan 8.280 nan 0.000 0.538 119 F N 3.131 122.429 119.950 -1.085 0.000 2.665 119 F HA 0.410 4.936 4.527 -0.001 0.000 0.308 119 F C -1.941 173.171 175.800 -1.146 0.000 1.112 119 F CA -1.527 55.887 58.000 -0.977 0.000 0.972 119 F CB 1.163 39.794 39.000 -0.616 0.000 1.295 119 F HN 0.417 nan 8.300 nan 0.000 0.440 120 N N 3.226 121.356 118.700 -0.950 0.000 2.648 120 N HA 0.412 5.152 4.740 -0.000 0.000 0.261 120 N C -2.555 172.657 175.510 -0.496 0.000 1.138 120 N CA -2.132 50.519 53.050 -0.665 0.000 0.804 120 N CB 2.020 40.294 38.487 -0.355 0.000 1.237 120 N HN 0.295 nan 8.380 nan 0.000 0.532 121 P HA -0.026 nan 4.420 nan 0.000 0.216 121 P C 1.311 178.532 177.300 -0.131 0.000 1.150 121 P CA 1.111 64.129 63.100 -0.136 0.000 0.837 121 P CB 0.236 31.945 31.700 0.015 0.000 0.786 122 G N -0.124 108.594 108.800 -0.138 0.000 2.442 122 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.219 122 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.219 122 G C 1.455 176.298 174.900 -0.094 0.000 1.141 122 G CA 1.352 46.390 45.100 -0.104 0.000 0.763 122 G HN 0.442 nan 8.290 nan 0.000 0.554 123 S N -1.270 114.372 115.700 -0.096 0.000 2.557 123 S HA 0.320 4.790 4.470 -0.000 0.000 0.223 123 S C 1.080 175.664 174.600 -0.027 0.000 0.969 123 S CA 0.106 58.275 58.200 -0.052 0.000 0.927 123 S CB 0.411 63.599 63.200 -0.020 0.000 0.806 123 S HN 0.193 nan 8.310 nan 0.000 0.489 124 R N 0.739 121.195 120.500 -0.072 0.000 3.651 124 R HA -0.143 4.196 4.340 -0.000 0.000 0.292 124 R C -0.999 175.463 176.300 0.271 0.000 1.161 124 R CA 0.918 57.020 56.100 0.004 0.000 0.787 124 R CB -2.731 27.541 30.300 -0.047 0.000 1.249 124 R HN 0.690 nan 8.270 nan 0.000 0.476 125 D N -0.310 120.099 120.400 0.016 0.000 2.329 125 D HA 0.387 5.027 4.640 -0.000 0.000 0.232 125 D C -0.785 175.416 176.300 -0.165 0.000 1.088 125 D CA -0.315 53.740 54.000 0.091 0.000 0.835 125 D CB 0.345 41.193 40.800 0.080 0.000 1.078 125 D HN 0.084 nan 8.370 nan 0.000 0.495 126 F N 5.425 125.544 119.950 0.283 0.000 2.622 126 F HA 0.292 4.819 4.527 -0.001 0.000 0.338 126 F C -1.449 174.461 175.800 0.182 0.000 1.334 126 F CA -1.655 56.488 58.000 0.237 0.000 1.179 126 F CB 1.703 40.880 39.000 0.295 0.000 1.471 126 F HN 0.317 nan 8.300 nan 0.000 0.576 127 P HA -0.214 nan 4.420 nan 0.000 0.223 127 P C 1.328 178.720 177.300 0.154 0.000 1.144 127 P CA 1.312 64.539 63.100 0.212 0.000 0.783 127 P CB 0.340 32.168 31.700 0.213 0.000 0.771 128 A N -0.486 122.422 122.820 0.147 0.000 2.119 128 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 128 A C 2.257 179.845 177.584 0.006 0.000 1.153 128 A CA 0.997 53.081 52.037 0.078 0.000 0.692 128 A CB -1.088 17.954 19.000 0.070 0.000 0.799 128 A HN 0.104 nan 8.150 nan 0.000 0.458 129 V N 0.465 120.354 119.914 -0.040 0.000 2.326 129 V HA 0.034 4.154 4.120 -0.000 0.000 0.238 129 V C -1.476 174.564 176.094 -0.092 0.000 1.038 129 V CA 1.154 63.338 62.300 -0.194 0.000 1.032 129 V CB -1.039 30.390 31.823 -0.656 0.000 0.675 129 V HN 0.476 nan 8.190 nan 0.000 0.467 130 P HA 0.390 nan 4.420 nan 0.000 0.296 130 P C -1.968 175.444 177.300 0.186 0.000 1.301 130 P CA -0.196 62.960 63.100 0.092 0.000 0.862 130 P CB 1.610 33.406 31.700 0.160 0.000 1.046 131 Y N 0.010 120.521 120.300 0.353 0.000 2.485 131 Y HA 0.500 5.049 4.550 -0.000 0.000 0.345 131 Y C 1.069 177.244 175.900 0.458 0.000 0.998 131 Y CA -0.496 57.825 58.100 0.368 0.000 1.059 131 Y CB 2.304 40.925 38.460 0.268 0.000 1.234 131 Y HN 0.487 nan 8.280 nan 0.000 0.461 132 S N -0.783 115.286 115.700 0.615 0.000 2.851 132 S HA 0.598 5.068 4.470 -0.000 0.000 0.317 132 S C 1.075 176.027 174.600 0.588 0.000 1.144 132 S CA -0.272 58.252 58.200 0.540 0.000 0.862 132 S CB 1.164 64.628 63.200 0.441 0.000 1.259 132 S HN 0.800 nan 8.310 nan 0.000 0.564 133 G N -0.382 108.655 108.800 0.396 0.000 2.462 133 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.220 133 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.220 133 G C 0.621 175.599 174.900 0.131 0.000 1.121 133 G CA 0.391 45.626 45.100 0.224 0.000 0.758 133 G HN 0.749 nan 8.290 nan 0.000 0.559 134 W N 0.875 122.289 121.300 0.189 0.000 2.825 134 W HA 0.210 4.870 4.660 0.000 0.000 0.243 134 W C 1.030 177.588 176.519 0.066 0.000 1.293 134 W CA 0.232 57.642 57.345 0.109 0.000 1.403 134 W CB 0.378 29.874 29.460 0.060 0.000 1.134 134 W HN 0.111 nan 8.180 nan 0.000 0.666 135 D N -1.168 119.350 120.400 0.196 0.000 2.363 135 D HA 0.099 4.739 4.640 -0.000 0.000 0.214 135 D C -0.265 175.696 176.300 -0.565 0.000 1.093 135 D CA 0.352 54.257 54.000 -0.158 0.000 0.837 135 D CB -0.075 40.578 40.800 -0.245 0.000 0.948 135 D HN 0.025 nan 8.370 nan 0.000 0.507 136 F N 0.290 120.240 119.950 0.001 0.000 2.575 136 F HA 0.322 4.849 4.527 -0.000 0.000 0.330 136 F C 1.385 177.179 175.800 -0.010 0.000 1.056 136 F CA -1.062 56.918 58.000 -0.033 0.000 0.964 136 F CB 0.875 39.858 39.000 -0.029 0.000 1.258 136 F HN -0.372 nan 8.300 nan 0.000 0.484 137 N N 0.940 119.758 118.700 0.195 0.000 2.362 137 N HA -0.037 4.702 4.740 -0.000 0.000 0.204 137 N C 0.740 176.302 175.510 0.087 0.000 1.166 137 N CA 0.315 53.435 53.050 0.117 0.000 0.831 137 N CB -0.284 38.268 38.487 0.108 0.000 1.008 137 N HN 0.558 nan 8.380 nan 0.000 0.472 138 D N 0.325 120.776 120.400 0.085 0.000 2.133 138 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 138 D C 1.716 178.020 176.300 0.006 0.000 0.997 138 D CA 1.219 55.235 54.000 0.026 0.000 0.840 138 D CB -0.137 40.660 40.800 -0.004 0.000 0.947 138 D HN 0.348 nan 8.370 nan 0.000 0.452 139 G N 0.067 108.869 108.800 0.002 0.000 2.813 139 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.209 139 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.209 139 G C 1.550 176.460 174.900 0.017 0.000 1.150 139 G CA 0.063 45.159 45.100 -0.006 0.000 0.785 139 G HN 0.203 nan 8.290 nan 0.000 0.535 140 K N -0.569 119.852 120.400 0.036 0.000 2.202 140 K HA 0.088 4.408 4.320 -0.000 0.000 0.201 140 K C 1.006 177.637 176.600 0.052 0.000 1.051 140 K CA -0.153 56.164 56.287 0.050 0.000 0.977 140 K CB -0.033 32.511 32.500 0.072 0.000 0.792 140 K HN 0.213 nan 8.250 nan 0.000 0.469 141 c N 3.630 122.257 118.600 0.045 0.000 2.642 141 c HA 0.112 4.682 4.570 -0.000 0.000 0.420 141 c C 1.196 175.298 174.090 0.020 0.000 1.349 141 c CA -0.252 56.098 56.329 0.034 0.000 1.821 141 c CB 0.260 42.782 42.510 0.020 0.000 2.637 141 c HN 0.461 nan 8.230 nan 0.000 0.605 142 K N 3.780 124.191 120.400 0.018 0.000 2.387 142 K HA 0.131 4.451 4.320 -0.000 0.000 0.203 142 K C 0.440 177.041 176.600 0.002 0.000 1.030 142 K CA 0.111 56.405 56.287 0.011 0.000 1.099 142 K CB -1.004 31.507 32.500 0.018 0.000 0.863 142 K HN 0.790 nan 8.250 nan 0.000 0.529 143 T N -2.523 112.028 114.554 -0.005 0.000 2.882 143 T HA 0.392 4.742 4.350 -0.000 0.000 0.287 143 T C 1.415 176.108 174.700 -0.013 0.000 1.014 143 T CA -0.087 62.005 62.100 -0.012 0.000 1.049 143 T CB 1.600 70.454 68.868 -0.023 0.000 1.001 143 T HN 0.135 nan 8.240 nan 0.000 0.525 144 G N 0.402 109.194 108.800 -0.013 0.000 2.421 144 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 144 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 144 G C 1.681 176.570 174.900 -0.018 0.000 1.143 144 G CA 0.687 45.779 45.100 -0.014 0.000 0.784 144 G HN 0.926 nan 8.290 nan 0.000 0.541 145 S N -0.900 114.787 115.700 -0.022 0.000 2.501 145 S HA 0.347 4.817 4.470 -0.000 0.000 0.220 145 S C 1.996 176.578 174.600 -0.031 0.000 0.997 145 S CA 1.071 59.255 58.200 -0.026 0.000 0.919 145 S CB 0.021 63.204 63.200 -0.029 0.000 0.778 145 S HN 1.480 nan 8.310 nan 0.000 0.523 146 G N 0.796 109.579 108.800 -0.029 0.000 2.199 146 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.254 146 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.254 146 G C -0.332 174.545 174.900 -0.039 0.000 0.982 146 G CA 0.309 45.391 45.100 -0.030 0.000 0.632 146 G HN 0.568 nan 8.290 nan 0.000 0.529 147 D N -0.254 120.117 120.400 -0.047 0.000 2.384 147 D HA 0.570 5.210 4.640 -0.000 0.000 0.250 147 D C 0.926 177.183 176.300 -0.072 0.000 1.029 147 D CA -0.661 53.301 54.000 -0.064 0.000 0.990 147 D CB 0.909 41.669 40.800 -0.066 0.000 1.175 147 D HN 0.204 nan 8.370 nan 0.000 0.532 148 I N 1.221 121.731 120.570 -0.101 0.000 2.517 148 I HA -0.019 4.151 4.170 -0.000 0.000 0.285 148 I C 1.315 177.377 176.117 -0.091 0.000 1.106 148 I CA 0.598 61.813 61.300 -0.141 0.000 1.402 148 I CB 0.462 38.317 38.000 -0.242 0.000 1.399 148 I HN 0.288 nan 8.210 nan 0.000 0.535 149 E N 3.711 123.866 120.200 -0.076 0.000 2.434 149 E HA 0.081 4.430 4.350 -0.000 0.000 0.207 149 E C -0.103 176.503 176.600 0.010 0.000 0.929 149 E CA 0.032 56.418 56.400 -0.023 0.000 1.001 149 E CB 0.536 30.224 29.700 -0.020 0.000 1.016 149 E HN 0.572 nan 8.360 nan 0.000 0.502 150 N N -0.721 117.964 118.700 -0.025 0.000 2.503 150 N HA 0.078 4.817 4.740 -0.000 0.000 0.287 150 N C -0.957 174.544 175.510 -0.015 0.000 1.096 150 N CA -0.298 52.773 53.050 0.035 0.000 0.936 150 N CB 0.585 39.085 38.487 0.021 0.000 1.570 150 N HN -0.163 nan 8.380 nan 0.000 0.504 151 Y N 1.743 122.036 120.300 -0.012 0.000 2.616 151 Y HA 0.122 4.672 4.550 -0.001 0.000 0.296 151 Y C 1.139 177.025 175.900 -0.024 0.000 1.154 151 Y CA 0.483 58.571 58.100 -0.020 0.000 1.325 151 Y CB -0.023 38.422 38.460 -0.025 0.000 1.007 151 Y HN 0.612 nan 8.280 nan 0.000 0.542 152 N N -0.367 118.391 118.700 0.097 0.000 2.461 152 N HA -0.068 4.671 4.740 -0.000 0.000 0.188 152 N C -0.379 175.143 175.510 0.020 0.000 1.134 152 N CA 0.486 53.568 53.050 0.053 0.000 0.878 152 N CB 0.133 38.647 38.487 0.044 0.000 0.972 152 N HN 0.109 nan 8.380 nan 0.000 0.456 153 D N -0.281 120.115 120.400 -0.006 0.000 2.472 153 D HA 0.344 4.983 4.640 -0.000 0.000 0.234 153 D C 0.651 176.919 176.300 -0.053 0.000 1.088 153 D CA -0.556 53.434 54.000 -0.017 0.000 0.882 153 D CB 0.847 41.636 40.800 -0.018 0.000 1.037 153 D HN 0.057 nan 8.370 nan 0.000 0.520 154 A N 2.899 125.697 122.820 -0.038 0.000 2.024 154 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 154 A C 1.943 179.434 177.584 -0.155 0.000 1.164 154 A CA 1.726 53.703 52.037 -0.100 0.000 0.643 154 A CB -0.402 18.567 19.000 -0.052 0.000 0.806 154 A HN 0.585 nan 8.150 nan 0.000 0.451 155 T N 0.399 114.957 114.554 0.007 0.000 2.770 155 T HA -0.158 4.192 4.350 -0.000 0.000 0.263 155 T C 2.114 176.830 174.700 0.028 0.000 1.039 155 T CA 1.600 63.777 62.100 0.129 0.000 1.142 155 T CB -0.309 68.688 68.868 0.216 0.000 0.868 155 T HN 0.886 nan 8.240 nan 0.000 0.435 156 Q N 1.008 120.793 119.800 -0.024 0.000 2.224 156 Q HA -0.006 4.334 4.340 -0.000 0.000 0.203 156 Q C 2.093 178.019 176.000 -0.123 0.000 0.970 156 Q CA 0.995 56.766 55.803 -0.053 0.000 0.865 156 Q CB -0.676 28.026 28.738 -0.060 0.000 0.922 156 Q HN 0.298 nan 8.270 nan 0.000 0.445 157 V N 0.893 120.685 119.914 -0.203 0.000 2.490 157 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 157 V C 2.048 178.054 176.094 -0.146 0.000 1.061 157 V CA 2.032 64.180 62.300 -0.254 0.000 1.064 157 V CB -0.413 31.198 31.823 -0.354 0.000 0.670 157 V HN 0.286 nan 8.190 nan 0.000 0.461 158 R N -0.211 120.129 120.500 -0.268 0.000 2.128 158 R HA 0.059 4.399 4.340 -0.000 0.000 0.211 158 R C 1.713 177.980 176.300 -0.056 0.000 1.067 158 R CA 0.866 56.775 56.100 -0.319 0.000 1.010 158 R CB -0.277 29.410 30.300 -1.023 0.000 0.922 158 R HN 0.443 nan 8.270 nan 0.000 0.457 159 D N -1.044 119.379 120.400 0.038 0.000 2.354 159 D HA 0.079 4.719 4.640 -0.000 0.000 0.209 159 D C 0.143 176.478 176.300 0.058 0.000 1.015 159 D CA 0.324 54.393 54.000 0.115 0.000 0.867 159 D CB 0.207 41.114 40.800 0.178 0.000 0.933 159 D HN 0.092 nan 8.370 nan 0.000 0.520 160 c N 0.678 119.283 118.600 0.009 0.000 2.354 160 c HA 0.481 5.051 4.570 -0.000 0.000 0.381 160 c C 0.704 174.770 174.090 -0.040 0.000 1.240 160 c CA -0.982 55.337 56.329 -0.016 0.000 2.089 160 c CB 1.177 43.662 42.510 -0.042 0.000 2.234 160 c HN 0.068 nan 8.230 nan 0.000 0.544 161 R N 1.116 121.582 120.500 -0.057 0.000 2.267 161 R HA 0.327 4.667 4.340 -0.000 0.000 0.319 161 R C -0.652 175.554 176.300 -0.157 0.000 1.067 161 R CA -0.466 55.580 56.100 -0.090 0.000 0.936 161 R CB 0.208 30.462 30.300 -0.075 0.000 1.006 161 R HN 0.469 nan 8.270 nan 0.000 0.452 162 L N 4.934 126.010 121.223 -0.245 0.000 2.456 162 L HA -0.027 4.312 4.340 -0.000 0.000 0.277 162 L C 0.451 177.161 176.870 -0.267 0.000 1.124 162 L CA 0.916 55.553 54.840 -0.339 0.000 0.880 162 L CB 0.045 41.759 42.059 -0.576 0.000 1.192 162 L HN 0.949 nan 8.230 nan 0.000 0.463 163 T N 1.512 115.955 114.554 -0.185 0.000 3.852 163 T HA -0.196 4.154 4.350 -0.000 0.000 0.361 163 T C 1.117 175.720 174.700 -0.163 0.000 0.759 163 T CA 1.169 63.172 62.100 -0.163 0.000 1.899 163 T CB -2.466 66.290 68.868 -0.187 0.000 1.822 163 T HN 2.339 nan 8.240 nan 0.000 0.778 164 G N -1.163 107.554 108.800 -0.138 0.000 2.179 164 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.260 164 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.260 164 G C 0.010 174.843 174.900 -0.112 0.000 0.977 164 G CA -0.070 44.963 45.100 -0.112 0.000 0.641 164 G HN 0.939 nan 8.290 nan 0.000 0.533 165 L N 1.442 122.565 121.223 -0.168 0.000 2.418 165 L HA 0.359 4.699 4.340 -0.000 0.000 0.274 165 L C 1.383 178.218 176.870 -0.058 0.000 1.135 165 L CA -0.269 54.475 54.840 -0.160 0.000 0.870 165 L CB 0.444 42.236 42.059 -0.445 0.000 1.154 165 L HN 0.214 nan 8.230 nan 0.000 0.462 166 L N 3.751 124.973 121.223 -0.002 0.000 2.660 166 L HA -0.093 4.247 4.340 -0.000 0.000 0.272 166 L C 0.406 177.405 176.870 0.215 0.000 1.194 166 L CA 0.202 55.050 54.840 0.012 0.000 0.945 166 L CB -0.190 41.749 42.059 -0.200 0.000 1.212 166 L HN 0.559 nan 8.230 nan 0.000 0.490 167 D N 3.994 124.525 120.400 0.219 0.000 2.316 167 D HA 0.304 4.944 4.640 -0.000 0.000 0.245 167 D C -0.206 176.227 176.300 0.221 0.000 1.171 167 D CA -0.263 53.860 54.000 0.205 0.000 0.856 167 D CB 0.759 41.628 40.800 0.115 0.000 1.090 167 D HN 0.252 nan 8.370 nan 0.000 0.476 168 L N 2.582 123.827 121.223 0.037 0.000 2.416 168 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 168 L C 0.712 177.503 176.870 -0.132 0.000 1.161 168 L CA -0.684 54.002 54.840 -0.257 0.000 0.845 168 L CB 0.860 42.709 42.059 -0.350 0.000 1.119 168 L HN 0.482 nan 8.230 nan 0.000 0.464 169 A N 5.242 127.951 122.820 -0.185 0.000 2.906 169 A HA 0.264 4.584 4.320 -0.000 0.000 0.289 169 A C 1.101 178.667 177.584 -0.031 0.000 1.675 169 A CA -0.323 51.686 52.037 -0.047 0.000 1.372 169 A CB -0.548 18.439 19.000 -0.021 0.000 1.091 169 A HN 0.839 nan 8.150 nan 0.000 0.579 170 L N 0.951 122.179 121.223 0.010 0.000 2.642 170 L HA -0.124 4.216 4.340 -0.000 0.000 0.236 170 L C 2.506 179.399 176.870 0.039 0.000 1.169 170 L CA 1.061 55.915 54.840 0.024 0.000 0.851 170 L CB -0.270 41.825 42.059 0.059 0.000 0.968 170 L HN 0.864 nan 8.230 nan 0.000 0.453 171 E N 1.021 121.246 120.200 0.041 0.000 2.299 171 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 171 E C 0.365 176.979 176.600 0.023 0.000 0.998 171 E CA 0.164 56.577 56.400 0.022 0.000 0.851 171 E CB 0.081 29.781 29.700 0.000 0.000 0.795 171 E HN 0.378 nan 8.360 nan 0.000 0.492 172 K N 1.678 122.101 120.400 0.038 0.000 2.368 172 K HA 0.011 4.330 4.320 -0.000 0.000 0.282 172 K C 0.213 176.852 176.600 0.065 0.000 1.035 172 K CA 0.230 56.556 56.287 0.065 0.000 0.973 172 K CB 1.012 33.573 32.500 0.102 0.000 0.957 172 K HN -0.047 nan 8.250 nan 0.000 0.474 173 D N 2.037 122.479 120.400 0.070 0.000 2.144 173 D HA -0.235 4.405 4.640 -0.000 0.000 0.199 173 D C 1.486 177.832 176.300 0.076 0.000 0.984 173 D CA 1.337 55.371 54.000 0.057 0.000 0.834 173 D CB 0.045 40.877 40.800 0.054 0.000 0.955 173 D HN 0.624 nan 8.370 nan 0.000 0.465 174 Y N 0.433 120.750 120.300 0.029 0.000 2.097 174 Y HA -0.221 4.329 4.550 -0.000 0.000 0.282 174 Y C 2.103 178.053 175.900 0.083 0.000 1.152 174 Y CA 1.538 59.669 58.100 0.051 0.000 1.136 174 Y CB -0.590 37.908 38.460 0.063 0.000 0.975 174 Y HN -0.074 nan 8.280 nan 0.000 0.498 175 V N 0.809 120.722 119.914 -0.001 0.000 2.358 175 V HA -0.296 3.823 4.120 -0.000 0.000 0.246 175 V C 2.406 178.453 176.094 -0.079 0.000 1.047 175 V CA 2.268 64.546 62.300 -0.036 0.000 1.035 175 V CB -0.622 31.179 31.823 -0.037 0.000 0.658 175 V HN 0.342 nan 8.190 nan 0.000 0.452 176 R N -0.044 120.419 120.500 -0.061 0.000 2.096 176 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 176 R C 2.531 178.766 176.300 -0.109 0.000 1.127 176 R CA 1.694 57.753 56.100 -0.069 0.000 0.968 176 R CB -0.426 29.851 30.300 -0.039 0.000 0.861 176 R HN 0.453 nan 8.270 nan 0.000 0.440 177 S N 0.471 116.092 115.700 -0.131 0.000 2.387 177 S HA -0.032 4.437 4.470 -0.000 0.000 0.226 177 S C 1.623 176.101 174.600 -0.204 0.000 1.026 177 S CA 0.872 58.983 58.200 -0.149 0.000 0.972 177 S CB 0.082 63.211 63.200 -0.120 0.000 0.814 177 S HN 0.176 nan 8.310 nan 0.000 0.477 178 K N 1.436 121.664 120.400 -0.287 0.000 2.148 178 K HA 0.143 4.462 4.320 -0.000 0.000 0.204 178 K C 1.854 178.298 176.600 -0.259 0.000 1.050 178 K CA 0.785 56.908 56.287 -0.272 0.000 0.942 178 K CB -0.542 31.765 32.500 -0.322 0.000 0.724 178 K HN 0.403 nan 8.250 nan 0.000 0.446 179 I N 0.836 121.271 120.570 -0.226 0.000 2.286 179 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 179 I C 2.333 178.290 176.117 -0.267 0.000 1.104 179 I CA 0.925 62.048 61.300 -0.294 0.000 1.397 179 I CB -0.303 37.591 38.000 -0.178 0.000 1.072 179 I HN 0.015 nan 8.210 nan 0.000 0.417 180 A N 0.252 122.938 122.820 -0.222 0.000 1.930 180 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 180 A C 2.296 179.746 177.584 -0.224 0.000 1.175 180 A CA 1.727 53.628 52.037 -0.227 0.000 0.627 180 A CB -0.578 18.319 19.000 -0.172 0.000 0.815 180 A HN 0.493 nan 8.150 nan 0.000 0.443 181 E N -1.427 118.667 120.200 -0.178 0.000 2.077 181 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 181 E C 1.826 178.377 176.600 -0.082 0.000 0.989 181 E CA 1.558 57.882 56.400 -0.127 0.000 0.800 181 E CB -0.338 29.302 29.700 -0.101 0.000 0.746 181 E HN 0.709 nan 8.360 nan 0.000 0.452 182 Y N 0.937 121.066 120.300 -0.285 0.000 2.133 182 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 182 Y C 2.079 177.874 175.900 -0.174 0.000 1.134 182 Y CA 1.966 59.905 58.100 -0.268 0.000 1.133 182 Y CB -0.418 37.641 38.460 -0.669 0.000 0.987 182 Y HN 0.012 nan 8.280 nan 0.000 0.502 183 M N 0.190 119.463 119.600 -0.546 0.000 2.213 183 M HA -0.212 4.268 4.480 -0.000 0.000 0.263 183 M C 1.669 177.813 176.300 -0.260 0.000 1.062 183 M CA 1.531 56.474 55.300 -0.594 0.000 1.105 183 M CB -0.379 31.758 32.600 -0.772 0.000 1.385 183 M HN 0.246 nan 8.290 nan 0.000 0.417 184 N N -0.481 118.056 118.700 -0.272 0.000 2.270 184 N HA -0.151 4.589 4.740 -0.000 0.000 0.181 184 N C 1.550 177.009 175.510 -0.085 0.000 1.016 184 N CA 1.040 53.901 53.050 -0.316 0.000 0.870 184 N CB -0.537 37.562 38.487 -0.647 0.000 0.979 184 N HN 0.566 nan 8.380 nan 0.000 0.431 185 H N 0.609 119.594 119.070 -0.141 0.000 2.353 185 H HA 0.018 4.574 4.556 -0.000 0.000 0.300 185 H C 1.946 177.265 175.328 -0.015 0.000 1.090 185 H CA 0.922 56.943 56.048 -0.044 0.000 1.327 185 H CB 0.154 29.903 29.762 -0.022 0.000 1.383 185 H HN 0.081 nan 8.280 nan 0.000 0.508 186 L N 0.388 121.537 121.223 -0.123 0.000 2.056 186 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 186 L C 2.687 179.551 176.870 -0.011 0.000 1.078 186 L CA 0.888 55.656 54.840 -0.119 0.000 0.749 186 L CB -0.300 41.680 42.059 -0.132 0.000 0.901 186 L HN 0.339 nan 8.230 nan 0.000 0.433 187 I N 0.099 120.696 120.570 0.045 0.000 2.163 187 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 187 I C 2.016 178.195 176.117 0.102 0.000 1.085 187 I CA 1.366 62.697 61.300 0.052 0.000 1.347 187 I CB -0.426 37.623 38.000 0.083 0.000 1.044 187 I HN 0.293 nan 8.210 nan 0.000 0.408 188 D N 0.709 121.198 120.400 0.150 0.000 2.264 188 D HA -0.097 4.542 4.640 -0.000 0.000 0.208 188 D C 2.172 178.591 176.300 0.200 0.000 0.966 188 D CA 1.119 55.241 54.000 0.202 0.000 0.864 188 D CB -0.106 40.834 40.800 0.234 0.000 0.933 188 D HN 0.390 nan 8.370 nan 0.000 0.499 189 I N -0.421 120.236 120.570 0.146 0.000 2.439 189 I HA -0.053 4.116 4.170 -0.000 0.000 0.251 189 I C 1.679 177.892 176.117 0.160 0.000 1.139 189 I CA 1.168 62.549 61.300 0.136 0.000 1.438 189 I CB 0.158 38.198 38.000 0.067 0.000 1.085 189 I HN 0.158 nan 8.210 nan 0.000 0.427 190 G N 0.534 109.403 108.800 0.115 0.000 2.321 190 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.174 190 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.174 190 G C 0.312 175.159 174.900 -0.088 0.000 1.008 190 G CA -0.069 45.083 45.100 0.087 0.000 0.739 190 G HN 0.185 nan 8.290 nan 0.000 0.502 191 V N -0.564 119.252 119.914 -0.164 0.000 2.872 191 V HA 0.681 4.801 4.120 -0.000 0.000 0.307 191 V C 1.324 177.209 176.094 -0.349 0.000 1.072 191 V CA 0.992 63.108 62.300 -0.308 0.000 1.148 191 V CB 1.370 32.964 31.823 -0.382 0.000 0.954 191 V HN 1.298 nan 8.190 nan 0.000 0.490 192 A N 2.870 125.461 122.820 -0.381 0.000 2.169 192 A HA 0.744 5.064 4.320 -0.000 0.000 0.210 192 A C 1.197 178.749 177.584 -0.052 0.000 1.168 192 A CA 0.714 52.570 52.037 -0.302 0.000 0.813 192 A CB -0.392 18.513 19.000 -0.159 0.000 0.861 192 A HN 2.063 nan 8.150 nan 0.000 0.481 193 G N -2.024 106.706 108.800 -0.117 0.000 2.342 193 G HA2 0.481 4.441 3.960 -0.000 0.000 0.297 193 G HA3 0.481 4.441 3.960 -0.000 0.000 0.297 193 G C -1.590 173.043 174.900 -0.445 0.000 1.313 193 G CA -0.717 44.352 45.100 -0.052 0.000 0.830 193 G HN 0.194 nan 8.290 nan 0.000 0.506 194 F N -0.494 119.426 119.950 -0.051 0.000 2.599 194 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 194 F C 0.259 175.664 175.800 -0.657 0.000 1.076 194 F CA -0.902 56.962 58.000 -0.226 0.000 0.937 194 F CB 2.478 41.356 39.000 -0.203 0.000 1.282 194 F HN 0.469 nan 8.300 nan 0.000 0.460 195 R N 2.943 123.134 120.500 -0.515 0.000 2.207 195 R HA 0.528 4.868 4.340 -0.000 0.000 0.334 195 R C -1.485 174.636 176.300 -0.298 0.000 1.013 195 R CA -0.408 55.152 56.100 -0.900 0.000 0.858 195 R CB 0.511 30.450 30.300 -0.602 0.000 1.094 195 R HN 0.795 nan 8.270 nan 0.000 0.457 196 L N 4.839 125.910 121.223 -0.254 0.000 2.334 196 L HA 0.157 4.497 4.340 -0.000 0.000 0.286 196 L C 0.136 176.992 176.870 -0.024 0.000 1.108 196 L CA -0.536 54.243 54.840 -0.101 0.000 0.875 196 L CB 0.651 42.651 42.059 -0.098 0.000 1.246 196 L HN 0.648 nan 8.230 nan 0.000 0.439 197 D N 3.555 123.988 120.400 0.055 0.000 2.443 197 D HA 0.220 4.860 4.640 -0.000 0.000 0.239 197 D C 0.944 177.330 176.300 0.143 0.000 1.136 197 D CA 0.663 54.753 54.000 0.150 0.000 0.879 197 D CB 0.915 41.877 40.800 0.270 0.000 1.195 197 D HN 0.715 nan 8.370 nan 0.000 0.443 198 A N 2.784 125.712 122.820 0.180 0.000 2.704 198 A HA -0.241 4.078 4.320 -0.000 0.000 0.299 198 A C 1.807 179.478 177.584 0.145 0.000 1.507 198 A CA 1.194 53.382 52.037 0.252 0.000 0.776 198 A CB -2.055 17.160 19.000 0.359 0.000 1.027 198 A HN 0.451 nan 8.150 nan 0.000 0.475 199 S N -0.587 115.107 115.700 -0.012 0.000 2.419 199 S HA -0.150 4.320 4.470 -0.000 0.000 0.233 199 S C 1.828 176.269 174.600 -0.265 0.000 1.016 199 S CA 1.431 59.547 58.200 -0.139 0.000 0.974 199 S CB -0.131 62.905 63.200 -0.273 0.000 0.786 199 S HN 0.863 nan 8.310 nan 0.000 0.492 200 K N 0.873 121.066 120.400 -0.345 0.000 2.209 200 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 200 K C 0.998 177.349 176.600 -0.415 0.000 1.048 200 K CA 1.164 57.214 56.287 -0.396 0.000 0.940 200 K CB -0.141 32.089 32.500 -0.451 0.000 0.729 200 K HN 0.473 nan 8.250 nan 0.000 0.451 201 H N -0.368 118.668 119.070 -0.057 0.000 2.536 201 H HA 0.173 4.729 4.556 -0.000 0.000 0.276 201 H C 0.006 175.275 175.328 -0.100 0.000 1.019 201 H CA 0.378 56.372 56.048 -0.089 0.000 1.159 201 H CB -0.002 29.743 29.762 -0.028 0.000 1.373 201 H HN 0.182 nan 8.280 nan 0.000 0.584 202 M N -0.238 119.356 119.600 -0.010 0.000 2.464 202 M HA 0.184 4.664 4.480 -0.000 0.000 0.308 202 M C -1.074 175.244 176.300 0.029 0.000 1.127 202 M CA -0.820 54.499 55.300 0.032 0.000 0.913 202 M CB 2.433 35.104 32.600 0.118 0.000 1.689 202 M HN -0.001 nan 8.290 nan 0.000 0.445 203 W N 2.767 124.117 121.300 0.084 0.000 2.251 203 W HA 0.213 4.873 4.660 -0.000 0.000 0.327 203 W C -1.755 174.755 176.519 -0.015 0.000 1.361 203 W CA -0.878 56.475 57.345 0.014 0.000 1.234 203 W CB -0.172 29.281 29.460 -0.012 0.000 1.212 203 W HN 0.493 nan 8.180 nan 0.000 0.557 204 P HA -0.208 nan 4.420 nan 0.000 0.217 204 P C 1.680 179.000 177.300 0.033 0.000 1.148 204 P CA 2.330 65.362 63.100 -0.113 0.000 0.828 204 P CB 0.131 31.592 31.700 -0.398 0.000 0.783 205 G N -0.708 108.137 108.800 0.074 0.000 2.421 205 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 205 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 205 G C 1.203 176.138 174.900 0.059 0.000 1.143 205 G CA 0.613 45.740 45.100 0.046 0.000 0.784 205 G HN 0.182 nan 8.290 nan 0.000 0.541 206 D N 0.595 121.065 120.400 0.116 0.000 2.149 206 D HA -0.009 4.631 4.640 -0.000 0.000 0.201 206 D C 2.560 178.901 176.300 0.067 0.000 0.972 206 D CA 0.247 54.304 54.000 0.096 0.000 0.835 206 D CB -0.040 40.853 40.800 0.156 0.000 0.966 206 D HN 0.335 nan 8.370 nan 0.000 0.476 207 I N 0.715 121.340 120.570 0.091 0.000 2.179 207 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 207 I C 2.329 178.461 176.117 0.026 0.000 1.088 207 I CA 0.952 62.289 61.300 0.062 0.000 1.357 207 I CB -0.109 37.963 38.000 0.120 0.000 1.051 207 I HN -0.087 nan 8.210 nan 0.000 0.409 208 K N 1.703 122.125 120.400 0.036 0.000 2.063 208 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 208 K C 2.030 178.629 176.600 -0.001 0.000 1.048 208 K CA 1.838 58.135 56.287 0.016 0.000 0.928 208 K CB -0.468 32.045 32.500 0.023 0.000 0.713 208 K HN 0.290 nan 8.250 nan 0.000 0.442 209 A N 0.423 123.244 122.820 0.002 0.000 1.933 209 A HA -0.097 4.222 4.320 -0.000 0.000 0.218 209 A C 2.245 179.814 177.584 -0.025 0.000 1.175 209 A CA 1.657 53.689 52.037 -0.008 0.000 0.628 209 A CB -0.594 18.404 19.000 -0.003 0.000 0.814 209 A HN 0.360 nan 8.150 nan 0.000 0.444 210 I N -0.473 120.076 120.570 -0.036 0.000 2.233 210 I HA -0.207 3.962 4.170 -0.000 0.000 0.243 210 I C 2.232 178.295 176.117 -0.090 0.000 1.093 210 I CA 0.959 62.215 61.300 -0.072 0.000 1.380 210 I CB -0.317 37.629 38.000 -0.090 0.000 1.067 210 I HN 0.271 nan 8.210 nan 0.000 0.413 211 L N 0.294 121.471 121.223 -0.076 0.000 2.131 211 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 211 L C 1.840 178.680 176.870 -0.051 0.000 1.092 211 L CA 1.022 55.815 54.840 -0.078 0.000 0.759 211 L CB -0.715 41.306 42.059 -0.063 0.000 0.903 211 L HN 0.268 nan 8.230 nan 0.000 0.435 212 D N 0.408 120.788 120.400 -0.034 0.000 2.310 212 D HA -0.122 4.517 4.640 -0.000 0.000 0.212 212 D C 1.788 178.081 176.300 -0.012 0.000 0.965 212 D CA 1.046 55.036 54.000 -0.017 0.000 0.879 212 D CB 0.066 40.861 40.800 -0.009 0.000 0.921 212 D HN 0.351 nan 8.370 nan 0.000 0.510 213 K N -0.251 120.131 120.400 -0.030 0.000 2.404 213 K HA 0.079 4.398 4.320 -0.000 0.000 0.194 213 K C 0.066 176.649 176.600 -0.029 0.000 1.023 213 K CA -0.348 55.924 56.287 -0.026 0.000 1.094 213 K CB 0.703 33.171 32.500 -0.053 0.000 0.841 213 K HN -0.038 nan 8.250 nan 0.000 0.523 214 L N 1.340 122.540 121.223 -0.038 0.000 2.395 214 L HA 0.139 4.479 4.340 -0.000 0.000 0.269 214 L C 0.384 177.310 176.870 0.093 0.000 1.133 214 L CA -0.032 54.782 54.840 -0.043 0.000 0.812 214 L CB 0.389 42.411 42.059 -0.062 0.000 1.125 214 L HN 0.133 nan 8.230 nan 0.000 0.452 215 H N 1.747 120.812 119.070 -0.009 0.000 2.615 215 H HA 0.198 4.754 4.556 -0.000 0.000 0.363 215 H C -0.130 175.198 175.328 -0.000 0.000 1.148 215 H CA -1.006 55.043 56.048 0.002 0.000 1.401 215 H CB 0.755 30.527 29.762 0.015 0.000 1.461 215 H HN 0.513 nan 8.280 nan 0.000 0.588 216 N N 1.778 120.547 118.700 0.114 0.000 2.508 216 N HA 0.021 4.761 4.740 -0.000 0.000 0.264 216 N C 0.039 175.574 175.510 0.042 0.000 1.216 216 N CA -0.196 52.884 53.050 0.050 0.000 0.943 216 N CB 0.732 39.237 38.487 0.029 0.000 1.113 216 N HN 0.340 nan 8.380 nan 0.000 0.447 217 L N 1.136 122.333 121.223 -0.044 0.000 2.558 217 L HA -0.109 4.230 4.340 -0.000 0.000 0.301 217 L C 1.399 178.330 176.870 0.101 0.000 1.267 217 L CA 0.199 54.971 54.840 -0.113 0.000 0.854 217 L CB -0.023 41.689 42.059 -0.578 0.000 1.103 217 L HN 0.499 nan 8.230 nan 0.000 0.522 218 N N 1.510 120.346 118.700 0.227 0.000 2.374 218 N HA -0.097 4.643 4.740 -0.000 0.000 0.269 218 N C 1.039 176.764 175.510 0.358 0.000 1.310 218 N CA 0.516 53.760 53.050 0.324 0.000 0.877 218 N CB 0.841 39.602 38.487 0.456 0.000 1.096 218 N HN 0.682 nan 8.380 nan 0.000 0.484 219 S N 2.822 118.629 115.700 0.178 0.000 2.584 219 S HA -0.043 4.427 4.470 -0.000 0.000 0.240 219 S C 1.127 175.742 174.600 0.024 0.000 0.975 219 S CA 0.327 58.596 58.200 0.115 0.000 0.949 219 S CB -0.004 63.227 63.200 0.051 0.000 0.761 219 S HN 0.574 nan 8.310 nan 0.000 0.536 220 N N -0.045 118.621 118.700 -0.058 0.000 2.416 220 N HA 0.054 4.794 4.740 -0.000 0.000 0.177 220 N C 0.635 175.886 175.510 -0.432 0.000 1.036 220 N CA 0.853 53.699 53.050 -0.341 0.000 0.901 220 N CB -0.015 38.080 38.487 -0.654 0.000 0.976 220 N HN 0.623 nan 8.380 nan 0.000 0.444 221 W N -0.526 120.732 121.300 -0.070 0.000 3.097 221 W HA 0.283 4.943 4.660 -0.000 0.000 0.245 221 W C -0.131 176.093 176.519 -0.492 0.000 1.120 221 W CA -0.176 56.966 57.345 -0.338 0.000 1.468 221 W CB 0.098 29.216 29.460 -0.570 0.000 0.851 221 W HN -0.188 nan 8.180 nan 0.000 0.692 222 F N 0.964 121.036 119.950 0.203 0.000 2.507 222 F HA 0.484 5.011 4.527 -0.000 0.000 0.327 222 F C -1.934 173.905 175.800 0.065 0.000 1.068 222 F CA -2.673 55.397 58.000 0.115 0.000 0.965 222 F CB -0.250 38.811 39.000 0.101 0.000 1.192 222 F HN -0.480 nan 8.300 nan 0.000 0.476 223 P HA 0.173 nan 4.420 nan 0.000 0.269 223 P C -0.908 176.468 177.300 0.126 0.000 1.209 223 P CA -0.301 62.879 63.100 0.134 0.000 0.776 223 P CB 0.482 32.246 31.700 0.107 0.000 0.876 224 A N 2.466 125.333 122.820 0.079 0.000 2.540 224 A HA 0.418 4.738 4.320 -0.000 0.000 0.239 224 A C 1.455 179.070 177.584 0.052 0.000 1.061 224 A CA 0.739 52.812 52.037 0.060 0.000 0.758 224 A CB -1.289 17.733 19.000 0.036 0.000 0.991 224 A HN 0.894 nan 8.150 nan 0.000 0.502 225 G N 1.589 110.415 108.800 0.043 0.000 2.157 225 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 225 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 225 G C 0.391 175.310 174.900 0.032 0.000 0.979 225 G CA 0.291 45.411 45.100 0.032 0.000 0.650 225 G HN 1.162 nan 8.290 nan 0.000 0.529 226 S N 1.344 117.067 115.700 0.039 0.000 2.528 226 S HA 0.492 4.962 4.470 -0.000 0.000 0.277 226 S C 0.450 175.034 174.600 -0.027 0.000 1.297 226 S CA -0.145 58.064 58.200 0.015 0.000 1.052 226 S CB 1.228 64.445 63.200 0.028 0.000 0.917 226 S HN 0.327 nan 8.310 nan 0.000 0.492 227 K N 3.087 123.471 120.400 -0.026 0.000 2.138 227 K HA 0.405 4.724 4.320 -0.000 0.000 0.263 227 K C -2.738 173.842 176.600 -0.033 0.000 0.965 227 K CA -2.473 53.798 56.287 -0.027 0.000 0.868 227 K CB 1.005 33.491 32.500 -0.023 0.000 1.083 227 K HN 0.266 nan 8.250 nan 0.000 0.443 228 P HA -0.013 nan 4.420 nan 0.000 0.268 228 P C -0.441 176.926 177.300 0.111 0.000 1.204 228 P CA -0.182 62.941 63.100 0.037 0.000 0.768 228 P CB 0.167 31.954 31.700 0.144 0.000 0.842 229 F N 5.167 125.097 119.950 -0.033 0.000 2.504 229 F HA 0.225 4.752 4.527 -0.000 0.000 0.369 229 F C -0.393 175.425 175.800 0.030 0.000 1.082 229 F CA -0.287 57.683 58.000 -0.049 0.000 1.216 229 F CB -0.100 38.833 39.000 -0.111 0.000 1.108 229 F HN 0.123 nan 8.300 nan 0.000 0.554 230 I N 8.842 129.182 120.570 -0.385 0.000 2.418 230 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 230 I C -1.128 174.705 176.117 -0.474 0.000 1.008 230 I CA -0.786 60.290 61.300 -0.374 0.000 1.104 230 I CB 1.020 38.919 38.000 -0.170 0.000 1.264 230 I HN 0.557 nan 8.210 nan 0.000 0.438 231 Y N 3.506 123.452 120.300 -0.589 0.000 2.338 231 Y HA 0.707 5.256 4.550 -0.000 0.000 0.333 231 Y C -0.592 175.208 175.900 -0.166 0.000 0.968 231 Y CA -1.223 56.640 58.100 -0.394 0.000 1.123 231 Y CB 0.895 39.081 38.460 -0.455 0.000 1.165 231 Y HN 0.490 nan 8.280 nan 0.000 0.452 232 Q N 2.749 122.562 119.800 0.022 0.000 2.278 232 Q HA 0.202 4.542 4.340 -0.000 0.000 0.257 232 Q C -0.601 175.418 176.000 0.030 0.000 0.928 232 Q CA -0.761 55.024 55.803 -0.030 0.000 0.932 232 Q CB 2.027 30.730 28.738 -0.058 0.000 1.221 232 Q HN 0.715 nan 8.270 nan 0.000 0.434 233 E N 3.223 123.443 120.200 0.033 0.000 2.029 233 E HA 0.165 4.514 4.350 -0.000 0.000 0.276 233 E C -1.353 175.271 176.600 0.040 0.000 1.163 233 E CA -0.159 56.332 56.400 0.151 0.000 0.909 233 E CB 0.456 30.265 29.700 0.182 0.000 1.046 233 E HN 0.318 nan 8.360 nan 0.000 0.406 234 V N 7.179 127.142 119.914 0.081 0.000 2.482 234 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 234 V C 0.064 176.188 176.094 0.051 0.000 1.026 234 V CA -0.681 61.574 62.300 -0.075 0.000 0.856 234 V CB 1.629 33.316 31.823 -0.227 0.000 1.001 234 V HN 0.597 nan 8.190 nan 0.000 0.424 235 I N 4.281 124.770 120.570 -0.135 0.000 2.291 235 I HA 0.335 4.505 4.170 -0.000 0.000 0.292 235 I C -0.452 175.607 176.117 -0.097 0.000 1.064 235 I CA 0.187 61.326 61.300 -0.268 0.000 1.269 235 I CB 0.732 38.406 38.000 -0.543 0.000 1.418 235 I HN 0.552 nan 8.210 nan 0.000 0.485 236 D N 7.558 127.973 120.400 0.024 0.000 2.440 236 D HA 0.290 4.930 4.640 -0.000 0.000 0.252 236 D C 0.169 176.504 176.300 0.058 0.000 1.180 236 D CA -0.354 53.667 54.000 0.036 0.000 0.894 236 D CB 1.189 42.029 40.800 0.067 0.000 1.111 236 D HN 0.404 nan 8.370 nan 0.000 0.544 237 L N 2.570 123.808 121.223 0.024 0.000 2.628 237 L HA 0.369 4.709 4.340 -0.000 0.000 0.229 237 L C 1.684 178.581 176.870 0.044 0.000 1.137 237 L CA 0.335 55.200 54.840 0.043 0.000 0.909 237 L CB 0.214 42.285 42.059 0.021 0.000 1.137 237 L HN 0.704 nan 8.230 nan 0.000 0.470 238 G N 0.034 108.857 108.800 0.037 0.000 2.279 238 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.223 238 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.223 238 G C 0.898 175.809 174.900 0.019 0.000 1.015 238 G CA -0.115 45.005 45.100 0.033 0.000 0.621 238 G HN 0.409 nan 8.290 nan 0.000 0.506 239 G N 0.543 109.349 108.800 0.010 0.000 3.518 239 G HA2 0.544 4.503 3.960 -0.000 0.000 0.273 239 G HA3 0.544 4.503 3.960 -0.000 0.000 0.273 239 G C 0.178 175.085 174.900 0.012 0.000 1.199 239 G CA 0.616 45.720 45.100 0.007 0.000 0.899 239 G HN 0.504 nan 8.290 nan 0.000 0.533 240 E N -0.436 119.775 120.200 0.018 0.000 2.359 240 E HA 0.288 4.638 4.350 -0.000 0.000 0.266 240 E C -1.527 175.089 176.600 0.027 0.000 0.920 240 E CA -1.824 54.595 56.400 0.032 0.000 0.788 240 E CB 2.537 32.265 29.700 0.046 0.000 1.279 240 E HN -0.097 nan 8.360 nan 0.000 0.438 241 P HA -0.017 nan 4.420 nan 0.000 0.221 241 P C 0.214 177.521 177.300 0.012 0.000 1.150 241 P CA 0.935 64.046 63.100 0.017 0.000 0.800 241 P CB 0.468 32.178 31.700 0.017 0.000 0.787 242 I N 0.845 121.423 120.570 0.014 0.000 2.371 242 I HA 0.121 4.291 4.170 -0.000 0.000 0.290 242 I C 0.582 176.721 176.117 0.037 0.000 1.028 242 I CA -0.320 60.992 61.300 0.019 0.000 1.345 242 I CB 0.653 38.660 38.000 0.012 0.000 1.407 242 I HN -0.202 nan 8.210 nan 0.000 0.501 243 K N 3.760 124.182 120.400 0.036 0.000 2.207 243 K HA 0.286 4.605 4.320 -0.000 0.000 0.255 243 K C 0.907 177.542 176.600 0.058 0.000 0.941 243 K CA -0.554 55.747 56.287 0.023 0.000 0.825 243 K CB 1.826 34.310 32.500 -0.027 0.000 1.119 243 K HN 0.644 nan 8.250 nan 0.000 0.430 244 S N 0.034 115.765 115.700 0.051 0.000 2.442 244 S HA -0.196 4.274 4.470 -0.000 0.000 0.236 244 S C 1.809 176.306 174.600 -0.173 0.000 1.007 244 S CA 1.495 59.748 58.200 0.089 0.000 0.965 244 S CB -0.462 62.827 63.200 0.148 0.000 0.773 244 S HN 0.666 nan 8.310 nan 0.000 0.504 245 S N 2.143 117.538 115.700 -0.508 0.000 2.442 245 S HA -0.142 4.328 4.470 -0.000 0.000 0.236 245 S C 1.226 175.342 174.600 -0.806 0.000 1.007 245 S CA 1.093 58.514 58.200 -1.299 0.000 0.965 245 S CB -0.634 62.140 63.200 -0.711 0.000 0.773 245 S HN 0.482 nan 8.310 nan 0.000 0.504 246 D N 0.510 120.703 120.400 -0.344 0.000 2.310 246 D HA -0.024 4.616 4.640 -0.000 0.000 0.212 246 D C 0.557 176.639 176.300 -0.362 0.000 0.965 246 D CA 0.911 54.729 54.000 -0.303 0.000 0.879 246 D CB -0.238 40.378 40.800 -0.307 0.000 0.921 246 D HN 0.626 nan 8.370 nan 0.000 0.510 247 Y N -1.017 119.208 120.300 -0.125 0.000 2.467 247 Y HA 0.122 4.672 4.550 -0.000 0.000 0.250 247 Y C 1.417 177.459 175.900 0.237 0.000 1.155 247 Y CA -0.458 57.672 58.100 0.050 0.000 1.249 247 Y CB -0.012 38.490 38.460 0.070 0.000 1.146 247 Y HN -0.179 nan 8.280 nan 0.000 0.524 248 F N -0.115 119.962 119.950 0.212 0.000 2.250 248 F HA -0.086 4.441 4.527 -0.000 0.000 0.301 248 F C 2.288 178.246 175.800 0.264 0.000 1.077 248 F CA 0.984 59.109 58.000 0.207 0.000 1.348 248 F CB -1.257 37.811 39.000 0.114 0.000 1.040 248 F HN 0.117 nan 8.300 nan 0.000 0.509 249 G N -0.609 108.413 108.800 0.370 0.000 2.598 249 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.215 249 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.215 249 G C 1.508 176.545 174.900 0.228 0.000 1.131 249 G CA 0.486 45.754 45.100 0.281 0.000 0.785 249 G HN 0.276 nan 8.290 nan 0.000 0.539 250 N N 0.118 118.952 118.700 0.223 0.000 2.368 250 N HA 0.243 4.983 4.740 -0.000 0.000 0.178 250 N C 1.083 176.595 175.510 0.003 0.000 1.076 250 N CA 0.977 54.089 53.050 0.103 0.000 0.889 250 N CB 1.290 39.858 38.487 0.134 0.000 1.040 250 N HN 0.424 nan 8.380 nan 0.000 0.463 251 G N -0.159 108.730 108.800 0.149 0.000 2.351 251 G HA2 0.134 4.094 3.960 -0.000 0.000 0.279 251 G HA3 0.134 4.094 3.960 -0.000 0.000 0.279 251 G C -1.331 173.780 174.900 0.351 0.000 1.297 251 G CA -0.893 44.236 45.100 0.048 0.000 0.886 251 G HN -0.066 nan 8.290 nan 0.000 0.493 252 R N -0.963 119.675 120.500 0.230 0.000 2.649 252 R HA 0.603 4.943 4.340 -0.000 0.000 0.270 252 R C 0.054 176.473 176.300 0.199 0.000 1.105 252 R CA 0.038 56.264 56.100 0.210 0.000 1.193 252 R CB 1.239 31.630 30.300 0.152 0.000 1.120 252 R HN 1.055 nan 8.270 nan 0.000 0.561 253 V N -2.702 117.341 119.914 0.215 0.000 2.962 253 V HA 0.434 4.554 4.120 -0.000 0.000 0.313 253 V C -0.001 176.213 176.094 0.201 0.000 1.099 253 V CA -1.113 61.322 62.300 0.225 0.000 0.971 253 V CB 1.827 33.834 31.823 0.307 0.000 1.028 253 V HN 0.915 nan 8.190 nan 0.000 0.430 254 T N -0.131 114.559 114.554 0.228 0.000 2.870 254 T HA 0.453 4.803 4.350 -0.000 0.000 0.300 254 T C -0.121 174.687 174.700 0.180 0.000 0.989 254 T CA 0.018 62.253 62.100 0.226 0.000 1.139 254 T CB 1.003 70.033 68.868 0.270 0.000 0.920 254 T HN 1.034 nan 8.240 nan 0.000 0.537 255 E N 2.323 122.516 120.200 -0.012 0.000 2.042 255 E HA 0.324 4.674 4.350 -0.000 0.000 0.260 255 E C -0.429 175.978 176.600 -0.321 0.000 0.975 255 E CA -1.075 55.267 56.400 -0.097 0.000 0.799 255 E CB -0.544 29.078 29.700 -0.129 0.000 1.131 255 E HN 0.661 nan 8.360 nan 0.000 0.423 256 F N 2.355 122.247 119.950 -0.095 0.000 2.502 256 F HA 0.031 4.558 4.527 0.000 0.000 0.298 256 F C 1.669 177.364 175.800 -0.176 0.000 1.111 256 F CA 0.691 58.625 58.000 -0.109 0.000 1.445 256 F CB 0.146 39.176 39.000 0.052 0.000 1.081 256 F HN 0.368 nan 8.300 nan 0.000 0.558 257 K N -0.995 119.354 120.400 -0.085 0.000 2.211 257 K HA -0.198 4.121 4.320 -0.000 0.000 0.203 257 K C 1.731 178.093 176.600 -0.396 0.000 1.050 257 K CA 1.012 57.206 56.287 -0.154 0.000 0.945 257 K CB -0.371 32.060 32.500 -0.115 0.000 0.732 257 K HN 0.250 nan 8.250 nan 0.000 0.451 258 Y N 1.415 121.203 120.300 -0.854 0.000 2.049 258 Y HA -0.224 4.325 4.550 -0.000 0.000 0.277 258 Y C 2.448 178.193 175.900 -0.258 0.000 1.143 258 Y CA 2.063 59.691 58.100 -0.786 0.000 1.115 258 Y CB -0.750 37.248 38.460 -0.770 0.000 0.975 258 Y HN 0.043 nan 8.280 nan 0.000 0.487 259 G N -0.772 107.986 108.800 -0.070 0.000 2.422 259 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 259 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 259 G C 1.751 176.646 174.900 -0.009 0.000 1.140 259 G CA 0.839 45.923 45.100 -0.026 0.000 0.775 259 G HN 0.622 nan 8.290 nan 0.000 0.545 260 A N 0.825 123.652 122.820 0.012 0.000 1.873 260 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 260 A C 2.378 179.994 177.584 0.054 0.000 1.186 260 A CA 1.750 53.818 52.037 0.052 0.000 0.616 260 A CB -0.224 18.830 19.000 0.091 0.000 0.823 260 A HN 0.196 nan 8.150 nan 0.000 0.442 261 K N -0.745 119.718 120.400 0.105 0.000 2.103 261 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 261 K C 1.832 178.449 176.600 0.029 0.000 1.052 261 K CA 0.795 57.202 56.287 0.199 0.000 0.945 261 K CB -0.705 32.066 32.500 0.451 0.000 0.722 261 K HN 0.412 nan 8.250 nan 0.000 0.443 262 L N 0.934 122.110 121.223 -0.078 0.000 2.083 262 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 262 L C 2.038 178.709 176.870 -0.331 0.000 1.083 262 L CA 1.888 56.492 54.840 -0.392 0.000 0.752 262 L CB -0.942 40.868 42.059 -0.416 0.000 0.899 262 L HN 0.208 nan 8.230 nan 0.000 0.433 263 G N -2.210 106.461 108.800 -0.214 0.000 2.408 263 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 263 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 263 G C 1.436 176.108 174.900 -0.380 0.000 1.150 263 G CA 1.051 45.992 45.100 -0.265 0.000 0.776 263 G HN 0.408 nan 8.290 nan 0.000 0.542 264 T N 0.415 114.815 114.554 -0.256 0.000 2.777 264 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 264 T C 2.406 177.010 174.700 -0.161 0.000 1.040 264 T CA 1.239 63.223 62.100 -0.193 0.000 1.141 264 T CB -0.333 68.573 68.868 0.063 0.000 0.868 264 T HN 0.102 nan 8.240 nan 0.000 0.444 265 V N 1.372 121.190 119.914 -0.161 0.000 2.307 265 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 265 V C 2.181 178.103 176.094 -0.287 0.000 1.045 265 V CA 1.521 63.708 62.300 -0.189 0.000 1.024 265 V CB -0.540 31.112 31.823 -0.284 0.000 0.651 265 V HN 0.528 nan 8.190 nan 0.000 0.449 266 I N -0.148 120.199 120.570 -0.371 0.000 2.394 266 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 266 I C 2.674 178.618 176.117 -0.288 0.000 1.136 266 I CA 1.584 62.670 61.300 -0.357 0.000 1.425 266 I CB -0.358 37.421 38.000 -0.369 0.000 1.079 266 I HN 0.237 nan 8.210 nan 0.000 0.425 267 R N 0.936 121.217 120.500 -0.365 0.000 2.299 267 R HA 0.039 4.378 4.340 -0.000 0.000 0.197 267 R C 0.243 176.453 176.300 -0.149 0.000 0.971 267 R CA 0.138 56.003 56.100 -0.392 0.000 1.030 267 R CB 0.045 29.752 30.300 -0.988 0.000 0.932 267 R HN 0.184 nan 8.270 nan 0.000 0.477 268 K N -0.507 119.830 120.400 -0.105 0.000 3.117 268 K HA -0.157 4.163 4.320 -0.000 0.000 0.269 268 K C -1.041 175.708 176.600 0.248 0.000 1.098 268 K CA 0.362 56.671 56.287 0.037 0.000 0.785 268 K CB -1.047 31.460 32.500 0.011 0.000 1.242 268 K HN 0.133 nan 8.250 nan 0.000 0.491 269 W N 1.179 122.471 121.300 -0.013 0.000 2.237 269 W HA 0.247 4.907 4.660 0.000 0.000 0.335 269 W C 1.169 177.701 176.519 0.022 0.000 1.230 269 W CA -0.785 56.562 57.345 0.003 0.000 1.253 269 W CB 0.050 29.513 29.460 0.004 0.000 1.129 269 W HN 0.198 nan 8.180 nan 0.000 0.590 270 N N 0.294 119.117 118.700 0.205 0.000 2.708 270 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 270 N C 0.903 176.487 175.510 0.124 0.000 1.123 270 N CA 1.690 54.815 53.050 0.124 0.000 0.739 270 N CB -1.492 37.077 38.487 0.135 0.000 1.113 270 N HN 0.956 nan 8.380 nan 0.000 0.561 271 G N -0.394 108.482 108.800 0.126 0.000 2.153 271 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.252 271 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.252 271 G C -0.079 174.913 174.900 0.154 0.000 0.994 271 G CA 0.712 45.882 45.100 0.117 0.000 0.698 271 G HN 0.627 nan 8.290 nan 0.000 0.521 272 E N -0.065 120.236 120.200 0.168 0.000 2.373 272 E HA 0.529 4.879 4.350 -0.000 0.000 0.263 272 E C 0.192 176.769 176.600 -0.038 0.000 1.073 272 E CA 0.175 56.696 56.400 0.202 0.000 0.894 272 E CB 0.720 30.555 29.700 0.224 0.000 1.008 272 E HN 0.363 nan 8.360 nan 0.000 0.420 273 K N 1.403 121.626 120.400 -0.295 0.000 2.477 273 K HA 0.293 4.612 4.320 -0.000 0.000 0.255 273 K C 0.632 177.005 176.600 -0.378 0.000 0.952 273 K CA -0.500 55.523 56.287 -0.440 0.000 0.826 273 K CB 1.579 33.680 32.500 -0.665 0.000 1.331 273 K HN 0.347 nan 8.250 nan 0.000 0.437 274 M N 0.733 120.142 119.600 -0.317 0.000 2.358 274 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 274 M C 1.584 177.827 176.300 -0.095 0.000 1.064 274 M CA 1.595 56.710 55.300 -0.309 0.000 1.093 274 M CB -0.290 32.085 32.600 -0.376 0.000 1.401 274 M HN 0.767 nan 8.290 nan 0.000 0.440 275 S N -0.411 115.232 115.700 -0.095 0.000 2.442 275 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 275 S C 1.442 176.208 174.600 0.276 0.000 1.007 275 S CA 0.829 59.114 58.200 0.142 0.000 0.965 275 S CB -0.698 62.503 63.200 0.002 0.000 0.773 275 S HN 0.448 nan 8.310 nan 0.000 0.504 276 Y N 1.691 122.073 120.300 0.137 0.000 2.571 276 Y HA 0.320 4.870 4.550 -0.000 0.000 0.294 276 Y C 1.754 177.809 175.900 0.258 0.000 1.141 276 Y CA -0.777 57.429 58.100 0.175 0.000 1.308 276 Y CB -0.818 37.774 38.460 0.221 0.000 1.002 276 Y HN 0.287 nan 8.280 nan 0.000 0.551 277 L N 0.530 121.875 121.223 0.204 0.000 2.610 277 L HA -0.112 4.228 4.340 -0.000 0.000 0.232 277 L C 2.135 178.863 176.870 -0.238 0.000 1.149 277 L CA 0.477 55.271 54.840 -0.076 0.000 0.872 277 L CB -0.443 41.342 42.059 -0.456 0.000 0.992 277 L HN 0.249 nan 8.230 nan 0.000 0.447 278 K N 0.867 120.944 120.400 -0.537 0.000 2.113 278 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 278 K C 1.106 177.401 176.600 -0.508 0.000 1.047 278 K CA 1.875 57.470 56.287 -1.152 0.000 0.928 278 K CB -0.464 31.398 32.500 -1.064 0.000 0.716 278 K HN 0.374 nan 8.250 nan 0.000 0.446 279 N N 0.320 118.916 118.700 -0.174 0.000 2.321 279 N HA -0.057 4.683 4.740 -0.000 0.000 0.242 279 N C -0.705 174.805 175.510 -0.001 0.000 1.141 279 N CA -0.646 52.357 53.050 -0.079 0.000 0.864 279 N CB -0.404 38.065 38.487 -0.031 0.000 1.100 279 N HN 0.375 nan 8.380 nan 0.000 0.510 280 W N 1.538 122.588 121.300 -0.417 0.000 2.314 280 W HA 0.296 4.956 4.660 -0.001 0.000 0.339 280 W C 0.450 176.557 176.519 -0.687 0.000 1.293 280 W CA 2.055 58.906 57.345 -0.824 0.000 1.288 280 W CB 0.325 29.250 29.460 -0.893 0.000 1.186 280 W HN 0.441 nan 8.180 nan 0.000 0.566 281 G N 4.084 112.087 108.800 -1.329 0.000 2.250 281 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.189 281 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.189 281 G C 0.273 174.672 174.900 -0.835 0.000 1.298 281 G CA 0.025 44.463 45.100 -1.103 0.000 1.246 281 G HN 0.429 nan 8.290 nan 0.000 0.513 282 E N 0.651 120.666 120.200 -0.309 0.000 2.160 282 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 282 E C 2.492 178.966 176.600 -0.209 0.000 0.991 282 E CA 1.831 58.146 56.400 -0.142 0.000 0.810 282 E CB -0.541 29.164 29.700 0.009 0.000 0.742 282 E HN 0.800 nan 8.360 nan 0.000 0.466 283 G N -0.501 108.175 108.800 -0.207 0.000 2.479 283 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.220 283 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.220 283 G C 0.533 175.296 174.900 -0.228 0.000 1.115 283 G CA 0.395 45.399 45.100 -0.159 0.000 0.757 283 G HN 0.263 nan 8.290 nan 0.000 0.560 284 W N -0.220 120.637 121.300 -0.738 0.000 3.290 284 W HA 0.434 5.094 4.660 -0.001 0.000 0.287 284 W C 1.644 177.751 176.519 -0.686 0.000 1.288 284 W CA -0.152 56.683 57.345 -0.850 0.000 1.725 284 W CB 0.142 28.744 29.460 -1.430 0.000 1.103 284 W HN 0.304 nan 8.180 nan 0.000 0.670 285 G N -0.683 107.935 108.800 -0.304 0.000 2.131 285 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.223 285 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.223 285 G C -0.036 174.949 174.900 0.142 0.000 0.990 285 G CA -0.636 44.421 45.100 -0.070 0.000 0.671 285 G HN -0.029 nan 8.290 nan 0.000 0.521 286 F N 0.401 120.299 119.950 -0.087 0.000 2.378 286 F HA 0.609 5.136 4.527 -0.000 0.000 0.319 286 F C 1.448 177.301 175.800 0.088 0.000 1.155 286 F CA -1.357 56.606 58.000 -0.062 0.000 1.157 286 F CB 0.384 39.196 39.000 -0.314 0.000 1.252 286 F HN 0.340 nan 8.300 nan 0.000 0.550 287 V N -0.355 119.802 119.914 0.405 0.000 3.237 287 V HA 0.279 4.398 4.120 -0.000 0.000 0.305 287 V C -2.492 173.775 176.094 0.289 0.000 1.096 287 V CA -1.843 60.680 62.300 0.371 0.000 1.130 287 V CB -0.363 31.712 31.823 0.421 0.000 1.048 287 V HN 0.517 nan 8.190 nan 0.000 0.484 288 P HA 0.054 nan 4.420 nan 0.000 0.264 288 P C 1.007 178.243 177.300 -0.108 0.000 1.183 288 P CA 0.717 63.813 63.100 -0.007 0.000 0.763 288 P CB 0.720 32.317 31.700 -0.172 0.000 0.807 289 S N 2.735 118.349 115.700 -0.142 0.000 2.392 289 S HA -0.215 4.255 4.470 -0.000 0.000 0.232 289 S C 1.319 175.698 174.600 -0.367 0.000 1.041 289 S CA 2.040 59.938 58.200 -0.504 0.000 1.026 289 S CB -0.870 62.111 63.200 -0.366 0.000 0.845 289 S HN 0.635 nan 8.310 nan 0.000 0.465 290 D N -0.440 119.806 120.400 -0.256 0.000 2.363 290 D HA -0.018 4.621 4.640 -0.000 0.000 0.226 290 D C 1.328 177.479 176.300 -0.249 0.000 1.020 290 D CA 0.302 54.166 54.000 -0.227 0.000 0.892 290 D CB -0.212 40.459 40.800 -0.216 0.000 0.900 290 D HN 0.280 nan 8.370 nan 0.000 0.531 291 R N -0.266 120.058 120.500 -0.293 0.000 2.549 291 R HA 0.449 4.789 4.340 -0.000 0.000 0.344 291 R C -0.110 176.128 176.300 -0.103 0.000 0.979 291 R CA -0.182 55.754 56.100 -0.274 0.000 1.140 291 R CB 0.901 30.759 30.300 -0.736 0.000 1.377 291 R HN 0.176 nan 8.270 nan 0.000 0.541 292 A N 1.508 124.250 122.820 -0.129 0.000 2.312 292 A HA 0.576 4.896 4.320 -0.000 0.000 0.326 292 A C -0.720 176.837 177.584 -0.044 0.000 1.172 292 A CA -0.473 51.517 52.037 -0.079 0.000 0.821 292 A CB 1.083 19.979 19.000 -0.173 0.000 1.166 292 A HN 0.106 nan 8.150 nan 0.000 0.493 293 L N 4.691 125.918 121.223 0.007 0.000 2.319 293 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 293 L C -0.450 176.408 176.870 -0.020 0.000 1.005 293 L CA -0.383 54.472 54.840 0.026 0.000 0.828 293 L CB 0.939 42.997 42.059 -0.002 0.000 1.227 293 L HN 0.703 nan 8.230 nan 0.000 0.415 294 V N 3.097 122.916 119.914 -0.158 0.000 2.881 294 V HA 0.857 4.977 4.120 -0.000 0.000 0.316 294 V C -0.729 175.221 176.094 -0.240 0.000 1.070 294 V CA -0.609 61.399 62.300 -0.486 0.000 0.976 294 V CB 1.879 33.094 31.823 -1.013 0.000 1.038 294 V HN 0.741 nan 8.190 nan 0.000 0.446 295 F N -0.741 118.979 119.950 -0.382 0.000 2.769 295 F HA 0.739 5.266 4.527 -0.001 0.000 0.313 295 F C -0.032 175.747 175.800 -0.034 0.000 1.146 295 F CA -0.849 57.040 58.000 -0.184 0.000 0.934 295 F CB 0.578 39.483 39.000 -0.158 0.000 1.283 295 F HN 0.255 nan 8.300 nan 0.000 0.443 296 V N 0.049 120.052 119.914 0.148 0.000 2.331 296 V HA 0.042 4.162 4.120 -0.000 0.000 0.242 296 V C 0.201 176.449 176.094 0.257 0.000 1.034 296 V CA 1.975 64.363 62.300 0.147 0.000 1.027 296 V CB -0.506 31.370 31.823 0.089 0.000 0.667 296 V HN 0.916 nan 8.190 nan 0.000 0.457 297 D N -0.294 120.351 120.400 0.408 0.000 2.552 297 D HA 0.309 4.949 4.640 -0.000 0.000 0.239 297 D C -0.987 175.521 176.300 0.347 0.000 1.139 297 D CA -0.627 53.603 54.000 0.384 0.000 0.914 297 D CB 1.877 42.853 40.800 0.293 0.000 1.461 297 D HN 0.297 nan 8.370 nan 0.000 0.462 298 N N -1.543 117.264 118.700 0.178 0.000 2.701 298 N HA 0.082 4.821 4.740 -0.000 0.000 0.290 298 N C 1.218 176.637 175.510 -0.152 0.000 1.338 298 N CA -0.492 52.522 53.050 -0.060 0.000 0.799 298 N CB 0.441 38.732 38.487 -0.327 0.000 1.491 298 N HN 0.610 nan 8.380 nan 0.000 0.540 299 H N -1.046 117.842 119.070 -0.303 0.000 2.457 299 H HA -0.069 4.487 4.556 -0.000 0.000 0.297 299 H C -0.204 174.731 175.328 -0.656 0.000 1.092 299 H CA 1.470 57.074 56.048 -0.740 0.000 1.309 299 H CB -0.085 28.979 29.762 -1.162 0.000 1.382 299 H HN 0.480 nan 8.280 nan 0.000 0.535 300 D N 1.460 121.348 120.400 -0.852 0.000 2.107 300 D HA -0.132 4.507 4.640 -0.000 0.000 0.204 300 D C 2.031 178.255 176.300 -0.127 0.000 0.978 300 D CA 1.552 55.276 54.000 -0.459 0.000 0.852 300 D CB -0.386 40.229 40.800 -0.309 0.000 1.008 300 D HN 0.596 nan 8.370 nan 0.000 0.458 301 N N 1.033 119.725 118.700 -0.013 0.000 2.550 301 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 301 N C 1.370 176.948 175.510 0.114 0.000 1.110 301 N CA 0.659 53.770 53.050 0.102 0.000 0.912 301 N CB -0.698 37.901 38.487 0.186 0.000 0.968 301 N HN 0.386 nan 8.380 nan 0.000 0.448 302 Q N 0.531 120.366 119.800 0.059 0.000 2.435 302 Q HA -0.038 4.302 4.340 -0.000 0.000 0.207 302 Q C 0.826 176.979 176.000 0.254 0.000 0.956 302 Q CA 0.625 56.511 55.803 0.138 0.000 0.917 302 Q CB -0.108 28.695 28.738 0.109 0.000 0.997 302 Q HN 0.607 nan 8.270 nan 0.000 0.497 303 R N -1.125 119.454 120.500 0.131 0.000 2.659 303 R HA 0.462 4.802 4.340 -0.000 0.000 0.418 303 R C 0.615 177.080 176.300 0.276 0.000 1.076 303 R CA 0.057 56.267 56.100 0.184 0.000 1.093 303 R CB 0.432 30.602 30.300 -0.216 0.000 1.400 303 R HN 0.191 nan 8.270 nan 0.000 0.583 304 G N 0.502 109.451 108.800 0.249 0.000 2.179 304 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 304 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 304 G C -0.065 174.943 174.900 0.180 0.000 0.977 304 G CA 0.312 45.546 45.100 0.224 0.000 0.641 304 G HN 0.565 nan 8.290 nan 0.000 0.533 305 H N 0.101 119.225 119.070 0.089 0.000 2.499 305 H HA 0.472 5.028 4.556 0.000 0.000 0.352 305 H C 1.356 176.688 175.328 0.006 0.000 1.237 305 H CA 0.313 56.408 56.048 0.079 0.000 1.343 305 H CB 1.163 31.031 29.762 0.176 0.000 1.578 305 H HN 1.064 nan 8.280 nan 0.000 0.577 306 G N 0.037 108.884 108.800 0.079 0.000 2.550 306 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.277 306 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.277 306 G C -0.528 174.318 174.900 -0.090 0.000 1.190 306 G CA 0.204 45.273 45.100 -0.052 0.000 0.971 306 G HN 0.913 nan 8.290 nan 0.000 0.559 307 A N -1.795 120.955 122.820 -0.116 0.000 2.469 307 A HA 1.004 5.323 4.320 -0.000 0.000 0.299 307 A C 1.100 178.719 177.584 0.059 0.000 1.098 307 A CA 1.154 53.146 52.037 -0.075 0.000 0.737 307 A CB 1.182 20.074 19.000 -0.179 0.000 1.312 307 A HN 2.860 nan 8.150 nan 0.000 0.414 308 G N -0.754 108.089 108.800 0.073 0.000 2.905 308 G HA2 0.466 4.426 3.960 -0.000 0.000 0.196 308 G HA3 0.466 4.426 3.960 -0.000 0.000 0.196 308 G C 1.687 176.653 174.900 0.109 0.000 1.044 308 G CA 1.031 46.202 45.100 0.119 0.000 0.778 308 G HN 2.956 nan 8.290 nan 0.000 0.474 309 G N 0.180 109.041 108.800 0.103 0.000 2.562 309 G HA2 0.228 4.187 3.960 -0.000 0.000 0.250 309 G HA3 0.228 4.187 3.960 -0.000 0.000 0.250 309 G C 1.247 176.236 174.900 0.148 0.000 1.269 309 G CA 1.954 47.125 45.100 0.118 0.000 0.919 309 G HN 1.931 nan 8.290 nan 0.000 0.574 310 A N -0.388 122.550 122.820 0.196 0.000 2.168 310 A HA 0.328 4.648 4.320 -0.000 0.000 0.215 310 A C 2.631 180.338 177.584 0.205 0.000 1.152 310 A CA 2.648 54.833 52.037 0.247 0.000 0.716 310 A CB -0.665 18.523 19.000 0.313 0.000 0.794 310 A HN 2.216 nan 8.150 nan 0.000 0.465 311 S N -0.196 115.566 115.700 0.104 0.000 2.436 311 S HA 0.064 4.534 4.470 -0.000 0.000 0.228 311 S C 0.818 175.295 174.600 -0.205 0.000 1.014 311 S CA -0.082 57.943 58.200 -0.291 0.000 0.950 311 S CB -0.464 62.631 63.200 -0.175 0.000 0.784 311 S HN 0.284 nan 8.310 nan 0.000 0.504 312 I N 3.091 123.647 120.570 -0.024 0.000 2.821 312 I HA 0.063 4.233 4.170 -0.000 0.000 0.294 312 I C 0.356 176.491 176.117 0.030 0.000 1.210 312 I CA 0.129 61.449 61.300 0.033 0.000 1.430 312 I CB -0.635 37.431 38.000 0.112 0.000 1.356 312 I HN 0.344 nan 8.210 nan 0.000 0.563 313 L N 6.138 127.401 121.223 0.067 0.000 2.334 313 L HA 0.435 4.775 4.340 -0.000 0.000 0.277 313 L C 0.539 177.527 176.870 0.196 0.000 1.075 313 L CA 0.018 54.938 54.840 0.133 0.000 0.804 313 L CB 1.591 43.755 42.059 0.175 0.000 1.174 313 L HN 0.660 nan 8.230 nan 0.000 0.438 314 T N 0.120 114.651 114.554 -0.039 0.000 2.778 314 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 314 T C 0.714 174.884 174.700 -0.883 0.000 1.144 314 T CA -0.511 61.284 62.100 -0.509 0.000 1.010 314 T CB 0.884 69.598 68.868 -0.257 0.000 1.325 314 T HN 0.392 nan 8.240 nan 0.000 0.515 315 F N -0.494 118.877 119.950 -0.964 0.000 2.250 315 F HA 0.080 4.607 4.527 -0.000 0.000 0.301 315 F C 1.602 177.309 175.800 -0.154 0.000 1.077 315 F CA 0.831 58.505 58.000 -0.544 0.000 1.348 315 F CB -0.938 37.777 39.000 -0.475 0.000 1.040 315 F HN 0.567 nan 8.300 nan 0.000 0.509 316 W N 1.471 122.313 121.300 -0.762 0.000 2.364 316 W HA -0.121 4.539 4.660 0.000 0.000 0.281 316 W C 0.801 177.245 176.519 -0.125 0.000 1.219 316 W CA 1.008 58.099 57.345 -0.423 0.000 1.220 316 W CB -0.258 28.886 29.460 -0.527 0.000 1.127 316 W HN -0.003 nan 8.180 nan 0.000 0.556 317 D N -0.085 120.382 120.400 0.110 0.000 3.163 317 D HA 0.249 4.888 4.640 -0.000 0.000 0.284 317 D C 1.516 177.945 176.300 0.215 0.000 1.368 317 D CA 0.313 54.396 54.000 0.138 0.000 0.895 317 D CB 0.076 40.936 40.800 0.100 0.000 1.061 317 D HN 0.021 nan 8.370 nan 0.000 0.496 318 A N 1.316 124.294 122.820 0.264 0.000 1.906 318 A HA -0.349 3.971 4.320 -0.000 0.000 0.222 318 A C 2.193 179.982 177.584 0.342 0.000 1.282 318 A CA 1.949 54.212 52.037 0.378 0.000 0.675 318 A CB -0.469 18.658 19.000 0.213 0.000 0.838 318 A HN 0.338 nan 8.150 nan 0.000 0.469 319 R N -0.623 120.001 120.500 0.206 0.000 2.080 319 R HA -0.085 4.254 4.340 -0.000 0.000 0.236 319 R C 2.147 178.549 176.300 0.170 0.000 1.137 319 R CA 1.906 58.110 56.100 0.174 0.000 0.943 319 R CB -0.408 29.959 30.300 0.111 0.000 0.846 319 R HN 0.573 nan 8.270 nan 0.000 0.431 320 L N -0.782 120.521 121.223 0.133 0.000 2.156 320 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 320 L C 2.280 179.209 176.870 0.098 0.000 1.095 320 L CA 0.853 55.731 54.840 0.062 0.000 0.770 320 L CB -0.543 41.523 42.059 0.012 0.000 0.914 320 L HN 0.283 nan 8.230 nan 0.000 0.439 321 Y N 1.383 121.727 120.300 0.072 0.000 2.181 321 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 321 Y C 2.534 178.505 175.900 0.119 0.000 1.146 321 Y CA 1.552 59.710 58.100 0.097 0.000 1.164 321 Y CB -0.098 38.468 38.460 0.177 0.000 0.982 321 Y HN -0.004 nan 8.280 nan 0.000 0.515 322 K N -0.602 119.949 120.400 0.252 0.000 2.097 322 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 322 K C 2.173 178.741 176.600 -0.054 0.000 1.049 322 K CA 1.816 58.235 56.287 0.220 0.000 0.933 322 K CB -0.220 32.558 32.500 0.462 0.000 0.717 322 K HN 0.389 nan 8.250 nan 0.000 0.442 323 M N 0.016 119.478 119.600 -0.229 0.000 2.175 323 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 323 M C 2.376 178.447 176.300 -0.382 0.000 1.063 323 M CA 1.383 56.322 55.300 -0.601 0.000 1.119 323 M CB -0.237 32.136 32.600 -0.378 0.000 1.377 323 M HN 0.215 nan 8.290 nan 0.000 0.415 324 A N -0.199 122.453 122.820 -0.280 0.000 1.877 324 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 324 A C 2.158 179.638 177.584 -0.173 0.000 1.186 324 A CA 1.599 53.486 52.037 -0.250 0.000 0.620 324 A CB -0.976 17.895 19.000 -0.216 0.000 0.822 324 A HN 0.294 nan 8.150 nan 0.000 0.443 325 V N 0.014 119.771 119.914 -0.262 0.000 2.407 325 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 325 V C 2.797 178.853 176.094 -0.063 0.000 1.055 325 V CA 1.855 64.033 62.300 -0.203 0.000 1.049 325 V CB -1.450 30.176 31.823 -0.328 0.000 0.662 325 V HN 0.623 nan 8.190 nan 0.000 0.455 326 G N -0.812 107.953 108.800 -0.058 0.000 2.446 326 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 326 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 326 G C 1.574 176.533 174.900 0.099 0.000 1.168 326 G CA 1.049 46.163 45.100 0.025 0.000 0.771 326 G HN 0.478 nan 8.290 nan 0.000 0.551 327 F N 0.890 120.820 119.950 -0.033 0.000 2.102 327 F HA 0.000 4.527 4.527 -0.000 0.000 0.298 327 F C 2.673 178.525 175.800 0.086 0.000 1.105 327 F CA 2.026 60.015 58.000 -0.018 0.000 1.239 327 F CB -0.131 38.562 39.000 -0.511 0.000 0.991 327 F HN 0.160 nan 8.300 nan 0.000 0.474 328 M N 0.705 120.403 119.600 0.162 0.000 2.065 328 M HA -0.197 4.283 4.480 -0.000 0.000 0.259 328 M C 1.981 178.349 176.300 0.112 0.000 1.069 328 M CA 2.252 57.686 55.300 0.224 0.000 1.110 328 M CB -0.511 32.219 32.600 0.217 0.000 1.328 328 M HN 0.371 nan 8.290 nan 0.000 0.405 329 L N -2.066 119.179 121.223 0.037 0.000 2.552 329 L HA 0.191 4.530 4.340 -0.000 0.000 0.227 329 L C 2.010 178.925 176.870 0.074 0.000 1.146 329 L CA 0.937 55.789 54.840 0.021 0.000 0.858 329 L CB -1.275 40.771 42.059 -0.022 0.000 0.969 329 L HN 0.330 nan 8.230 nan 0.000 0.451 330 A N -0.652 122.189 122.820 0.035 0.000 1.984 330 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 330 A C 1.198 178.990 177.584 0.347 0.000 1.173 330 A CA 0.099 52.202 52.037 0.110 0.000 0.673 330 A CB -0.534 18.370 19.000 -0.160 0.000 0.830 330 A HN 0.538 nan 8.150 nan 0.000 0.453 331 H N 1.097 120.225 119.070 0.097 0.000 2.683 331 H HA 0.156 4.712 4.556 -0.000 0.000 0.339 331 H C -1.651 173.749 175.328 0.121 0.000 1.081 331 H CA -1.274 54.787 56.048 0.021 0.000 1.432 331 H CB 1.429 31.038 29.762 -0.255 0.000 1.462 331 H HN 0.120 nan 8.280 nan 0.000 0.557 332 P HA -0.154 nan 4.420 nan 0.000 0.226 332 P C 0.257 177.650 177.300 0.154 0.000 1.153 332 P CA 0.587 63.706 63.100 0.030 0.000 0.777 332 P CB -0.136 31.535 31.700 -0.047 0.000 0.794 333 Y N 2.261 122.741 120.300 0.300 0.000 2.526 333 Y HA 0.321 4.871 4.550 -0.000 0.000 0.330 333 Y C 1.316 177.271 175.900 0.091 0.000 1.156 333 Y CA 1.293 59.521 58.100 0.214 0.000 1.419 333 Y CB -0.266 38.350 38.460 0.260 0.000 1.250 333 Y HN 0.299 nan 8.280 nan 0.000 0.540 334 G N 4.577 112.967 108.800 -0.684 0.000 2.806 334 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.236 334 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.236 334 G C -1.276 173.531 174.900 -0.155 0.000 1.387 334 G CA -0.159 44.636 45.100 -0.508 0.000 0.884 334 G HN 0.913 nan 8.290 nan 0.000 0.560 335 F N 1.898 121.702 119.950 -0.244 0.000 2.415 335 F HA 0.632 5.158 4.527 -0.000 0.000 0.348 335 F C 1.156 176.852 175.800 -0.174 0.000 1.119 335 F CA 0.019 57.909 58.000 -0.183 0.000 1.069 335 F CB 1.514 40.412 39.000 -0.170 0.000 1.124 335 F HN 0.822 nan 8.300 nan 0.000 0.472 336 T N 4.063 118.188 114.554 -0.714 0.000 2.845 336 T HA 0.423 4.772 4.350 -0.000 0.000 0.288 336 T C -0.339 174.100 174.700 -0.434 0.000 0.980 336 T CA -0.867 60.947 62.100 -0.477 0.000 1.071 336 T CB 1.311 69.971 68.868 -0.345 0.000 0.941 336 T HN 0.787 nan 8.240 nan 0.000 0.487 337 R N 2.217 122.612 120.500 -0.175 0.000 2.437 337 R HA 0.610 4.950 4.340 -0.000 0.000 0.310 337 R C -1.104 175.209 176.300 0.022 0.000 0.955 337 R CA -0.831 55.229 56.100 -0.067 0.000 0.851 337 R CB 1.697 31.971 30.300 -0.043 0.000 1.161 337 R HN 0.641 nan 8.270 nan 0.000 0.446 338 V N 5.889 125.836 119.914 0.054 0.000 2.481 338 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 338 V C -0.317 175.856 176.094 0.132 0.000 1.042 338 V CA -0.731 61.632 62.300 0.104 0.000 0.928 338 V CB 1.531 33.449 31.823 0.159 0.000 0.986 338 V HN 0.895 nan 8.190 nan 0.000 0.462 339 M N 5.962 125.658 119.600 0.160 0.000 2.277 339 M HA 0.529 5.009 4.480 -0.000 0.000 0.350 339 M C -0.273 176.085 176.300 0.095 0.000 1.180 339 M CA 0.722 56.114 55.300 0.152 0.000 1.103 339 M CB 1.424 34.147 32.600 0.205 0.000 1.577 339 M HN 0.726 nan 8.290 nan 0.000 0.459 340 S N 2.595 118.319 115.700 0.040 0.000 2.779 340 S HA 0.780 5.250 4.470 -0.000 0.000 0.293 340 S C -1.250 173.430 174.600 0.135 0.000 1.150 340 S CA -0.613 57.619 58.200 0.054 0.000 1.057 340 S CB 0.578 63.742 63.200 -0.061 0.000 1.021 340 S HN 0.832 nan 8.310 nan 0.000 0.485 341 S N 2.960 118.718 115.700 0.097 0.000 2.798 341 S HA 0.797 5.267 4.470 -0.000 0.000 0.312 341 S C -1.266 173.427 174.600 0.155 0.000 1.122 341 S CA -0.776 57.494 58.200 0.117 0.000 0.949 341 S CB 0.685 63.876 63.200 -0.015 0.000 1.235 341 S HN 0.777 nan 8.310 nan 0.000 0.552 342 Y N -0.845 119.545 120.300 0.150 0.000 2.524 342 Y HA 0.759 5.308 4.550 -0.001 0.000 0.344 342 Y C -0.273 175.627 175.900 -0.001 0.000 1.012 342 Y CA -1.364 56.696 58.100 -0.066 0.000 1.068 342 Y CB 0.755 39.023 38.460 -0.321 0.000 1.249 342 Y HN 0.435 nan 8.280 nan 0.000 0.468 343 R N 1.686 122.245 120.500 0.099 0.000 2.410 343 R HA 0.414 4.754 4.340 -0.000 0.000 0.288 343 R C -1.537 175.059 176.300 0.492 0.000 1.051 343 R CA -0.404 55.786 56.100 0.152 0.000 1.021 343 R CB 0.847 31.121 30.300 -0.043 0.000 1.032 343 R HN 0.963 nan 8.270 nan 0.000 0.481 344 W N 3.315 124.856 121.300 0.402 0.000 3.031 344 W HA 0.496 5.156 4.660 -0.001 0.000 0.337 344 W C -2.557 174.115 176.519 0.256 0.000 1.187 344 W CA -2.392 55.122 57.345 0.281 0.000 1.166 344 W CB 0.437 30.056 29.460 0.264 0.000 1.437 344 W HN 0.345 nan 8.180 nan 0.000 0.551 345 P HA 0.098 nan 4.420 nan 0.000 0.252 345 P C -0.321 176.907 177.300 -0.120 0.000 1.727 345 P CA -0.081 63.018 63.100 -0.002 0.000 1.134 345 P CB 0.320 32.045 31.700 0.041 0.000 1.876 346 R N 2.617 122.809 120.500 -0.513 0.000 2.458 346 R HA 0.038 4.378 4.340 -0.000 0.000 0.303 346 R C 0.123 176.138 176.300 -0.476 0.000 1.013 346 R CA 0.327 56.045 56.100 -0.637 0.000 1.026 346 R CB 0.231 29.760 30.300 -1.285 0.000 0.948 346 R HN 0.418 nan 8.270 nan 0.000 0.417 347 Q N 5.199 124.775 119.800 -0.373 0.000 2.490 347 Q HA 0.201 4.541 4.340 -0.000 0.000 0.255 347 Q C -1.491 174.382 176.000 -0.211 0.000 0.997 347 Q CA -0.609 55.062 55.803 -0.220 0.000 0.709 347 Q CB 0.660 29.364 28.738 -0.056 0.000 1.255 347 Q HN 0.459 nan 8.270 nan 0.000 0.486 348 F N 2.213 122.147 119.950 -0.027 0.000 2.438 348 F HA 0.284 4.810 4.527 -0.001 0.000 0.356 348 F C 0.370 176.177 175.800 0.012 0.000 1.099 348 F CA 0.182 58.178 58.000 -0.006 0.000 1.185 348 F CB 1.090 40.067 39.000 -0.039 0.000 1.115 348 F HN 0.394 nan 8.300 nan 0.000 0.526 349 Q N 2.377 122.327 119.800 0.251 0.000 2.269 349 Q HA 0.272 4.612 4.340 -0.000 0.000 0.263 349 Q C -0.355 175.727 176.000 0.136 0.000 0.983 349 Q CA -0.748 55.146 55.803 0.152 0.000 0.777 349 Q CB 1.492 30.300 28.738 0.117 0.000 1.273 349 Q HN 0.771 nan 8.270 nan 0.000 0.440 350 N N 1.470 120.226 118.700 0.093 0.000 2.741 350 N HA -0.282 4.458 4.740 -0.000 0.000 0.250 350 N C 0.528 176.075 175.510 0.062 0.000 1.115 350 N CA 0.314 53.401 53.050 0.062 0.000 0.724 350 N CB -0.636 37.885 38.487 0.057 0.000 1.090 350 N HN 1.061 nan 8.380 nan 0.000 0.558 351 G N -0.476 108.367 108.800 0.072 0.000 2.175 351 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.244 351 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.244 351 G C -0.181 174.828 174.900 0.182 0.000 0.982 351 G CA 0.452 45.569 45.100 0.029 0.000 0.641 351 G HN 0.844 nan 8.290 nan 0.000 0.527 352 N N -0.184 118.697 118.700 0.303 0.000 2.272 352 N HA 0.518 5.258 4.740 -0.000 0.000 0.305 352 N C -1.191 174.539 175.510 0.367 0.000 1.103 352 N CA -0.636 52.624 53.050 0.351 0.000 0.791 352 N CB 1.944 40.548 38.487 0.196 0.000 1.356 352 N HN 0.003 nan 8.380 nan 0.000 0.486 353 D N 1.491 122.014 120.400 0.205 0.000 2.339 353 D HA 0.047 4.687 4.640 -0.000 0.000 0.241 353 D C 1.207 177.558 176.300 0.086 0.000 1.183 353 D CA -0.789 53.138 54.000 -0.123 0.000 0.859 353 D CB 1.123 41.734 40.800 -0.315 0.000 1.067 353 D HN 0.476 nan 8.370 nan 0.000 0.484 354 V N 1.927 121.900 119.914 0.099 0.000 2.970 354 V HA 0.016 4.136 4.120 -0.000 0.000 0.260 354 V C 0.729 177.002 176.094 0.297 0.000 1.100 354 V CA 0.868 63.296 62.300 0.213 0.000 1.122 354 V CB -0.474 31.467 31.823 0.196 0.000 0.721 354 V HN 0.398 nan 8.190 nan 0.000 0.483 355 N N 1.799 120.574 118.700 0.125 0.000 2.321 355 N HA 0.076 4.816 4.740 -0.000 0.000 0.242 355 N C 0.853 176.234 175.510 -0.214 0.000 1.141 355 N CA 0.701 53.667 53.050 -0.141 0.000 0.864 355 N CB 0.163 38.614 38.487 -0.061 0.000 1.100 355 N HN 0.787 nan 8.380 nan 0.000 0.510 356 D N -0.317 120.128 120.400 0.075 0.000 2.378 356 D HA -0.146 4.493 4.640 -0.000 0.000 0.222 356 D C 1.522 178.005 176.300 0.304 0.000 0.980 356 D CA 0.253 54.334 54.000 0.134 0.000 0.907 356 D CB -0.375 40.659 40.800 0.390 0.000 0.899 356 D HN 0.509 nan 8.370 nan 0.000 0.527 357 W N 0.943 122.466 121.300 0.372 0.000 2.812 357 W HA 0.262 4.922 4.660 -0.001 0.000 0.263 357 W C -0.105 176.535 176.519 0.202 0.000 1.284 357 W CA -0.584 56.977 57.345 0.360 0.000 1.430 357 W CB -0.732 28.915 29.460 0.311 0.000 1.088 357 W HN -0.316 nan 8.180 nan 0.000 0.623 358 V N 3.618 123.135 119.914 -0.663 0.000 2.678 358 V HA 0.056 4.176 4.120 -0.000 0.000 0.304 358 V C 1.463 177.584 176.094 0.046 0.000 1.086 358 V CA 1.108 63.093 62.300 -0.525 0.000 1.246 358 V CB -0.668 30.854 31.823 -0.502 0.000 0.861 358 V HN 0.187 nan 8.190 nan 0.000 0.491 359 G N 6.795 115.607 108.800 0.020 0.000 2.588 359 G HA2 0.465 4.425 3.960 -0.000 0.000 0.278 359 G HA3 0.465 4.425 3.960 -0.000 0.000 0.278 359 G C -2.238 172.358 174.900 -0.506 0.000 1.307 359 G CA -1.024 44.041 45.100 -0.058 0.000 1.016 359 G HN 0.657 nan 8.290 nan 0.000 0.503 360 P HA 0.156 nan 4.420 nan 0.000 0.270 360 P C -2.659 174.123 177.300 -0.863 0.000 1.223 360 P CA -0.930 61.314 63.100 -1.426 0.000 0.785 360 P CB -0.098 31.123 31.700 -0.798 0.000 0.923 361 P HA 0.022 nan 4.420 nan 0.000 0.261 361 P C -0.297 176.807 177.300 -0.327 0.000 1.183 361 P CA 0.838 63.582 63.100 -0.594 0.000 0.761 361 P CB -0.232 30.961 31.700 -0.846 0.000 0.785 362 N N 1.028 119.624 118.700 -0.174 0.000 2.825 362 N HA 0.400 5.140 4.740 -0.000 0.000 0.253 362 N C -1.563 173.941 175.510 -0.010 0.000 1.426 362 N CA -1.056 51.953 53.050 -0.067 0.000 0.851 362 N CB 1.237 39.706 38.487 -0.029 0.000 1.470 362 N HN 0.065 nan 8.380 nan 0.000 0.517 363 N N -0.067 118.645 118.700 0.019 0.000 2.573 363 N HA 0.343 5.083 4.740 -0.000 0.000 0.262 363 N C -1.342 174.211 175.510 0.071 0.000 1.029 363 N CA -0.727 52.340 53.050 0.028 0.000 0.882 363 N CB 0.844 39.339 38.487 0.012 0.000 1.204 363 N HN 0.728 nan 8.380 nan 0.000 0.519 364 N N 1.622 120.383 118.700 0.102 0.000 2.725 364 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 364 N C 0.917 176.633 175.510 0.343 0.000 1.103 364 N CA 1.302 54.456 53.050 0.174 0.000 0.707 364 N CB -1.169 37.379 38.487 0.102 0.000 1.043 364 N HN 0.946 nan 8.380 nan 0.000 0.553 365 G N -3.211 105.809 108.800 0.366 0.000 2.234 365 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.235 365 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.235 365 G C 0.010 174.919 174.900 0.016 0.000 0.997 365 G CA 0.005 45.201 45.100 0.160 0.000 0.623 365 G HN 0.568 nan 8.290 nan 0.000 0.514 366 V N 3.170 123.107 119.914 0.039 0.000 2.408 366 V HA 0.399 4.519 4.120 -0.000 0.000 0.267 366 V C 1.322 177.402 176.094 -0.024 0.000 1.047 366 V CA -0.569 61.728 62.300 -0.006 0.000 0.937 366 V CB 1.045 32.873 31.823 0.009 0.000 0.999 366 V HN 0.355 nan 8.190 nan 0.000 0.472 367 I N 5.243 125.781 120.570 -0.054 0.000 2.826 367 I HA -0.007 4.163 4.170 -0.000 0.000 0.295 367 I C 0.983 177.106 176.117 0.011 0.000 1.213 367 I CA 0.381 61.658 61.300 -0.037 0.000 1.436 367 I CB 0.126 38.102 38.000 -0.041 0.000 1.348 367 I HN 0.588 nan 8.210 nan 0.000 0.570 368 K N 6.405 126.839 120.400 0.056 0.000 2.258 368 K HA 0.129 4.449 4.320 -0.000 0.000 0.264 368 K C 0.100 176.786 176.600 0.144 0.000 1.007 368 K CA -0.480 55.860 56.287 0.089 0.000 0.941 368 K CB 0.555 33.097 32.500 0.070 0.000 0.966 368 K HN 0.564 nan 8.250 nan 0.000 0.480 369 E N 0.482 120.700 120.200 0.029 0.000 2.392 369 E HA 0.125 4.475 4.350 -0.000 0.000 0.259 369 E C -0.657 175.846 176.600 -0.162 0.000 1.108 369 E CA -0.763 55.573 56.400 -0.106 0.000 0.916 369 E CB 0.627 30.272 29.700 -0.092 0.000 0.989 369 E HN 0.046 nan 8.360 nan 0.000 0.432 370 V N 2.659 122.258 119.914 -0.525 0.000 2.389 370 V HA 0.135 4.255 4.120 -0.000 0.000 0.264 370 V C 0.304 176.211 176.094 -0.311 0.000 1.049 370 V CA -0.245 61.617 62.300 -0.730 0.000 0.932 370 V CB 0.369 31.360 31.823 -1.387 0.000 1.011 370 V HN 0.825 nan 8.190 nan 0.000 0.475 371 T N 4.160 118.635 114.554 -0.130 0.000 2.867 371 T HA 0.696 5.046 4.350 -0.000 0.000 0.282 371 T C -0.535 174.136 174.700 -0.048 0.000 1.000 371 T CA -0.775 61.286 62.100 -0.065 0.000 1.042 371 T CB 1.603 70.461 68.868 -0.016 0.000 0.973 371 T HN 0.218 nan 8.240 nan 0.000 0.465 372 I N 3.184 123.731 120.570 -0.038 0.000 2.377 372 I HA 0.369 4.538 4.170 -0.000 0.000 0.293 372 I C 0.229 176.342 176.117 -0.006 0.000 0.987 372 I CA -0.985 60.300 61.300 -0.024 0.000 1.185 372 I CB 1.202 39.189 38.000 -0.021 0.000 1.341 372 I HN 0.691 nan 8.210 nan 0.000 0.455 373 N N 8.105 126.805 118.700 0.000 0.000 2.463 373 N HA 0.304 5.044 4.740 -0.000 0.000 0.270 373 N C -1.524 173.993 175.510 0.010 0.000 1.205 373 N CA -1.310 51.743 53.050 0.006 0.000 0.974 373 N CB 0.760 39.251 38.487 0.007 0.000 1.197 373 N HN 0.361 nan 8.380 nan 0.000 0.504 374 P HA -0.117 nan 4.420 nan 0.000 0.225 374 P C 0.179 177.491 177.300 0.020 0.000 1.148 374 P CA 1.198 64.308 63.100 0.016 0.000 0.779 374 P CB 0.206 31.914 31.700 0.012 0.000 0.780 375 D N -1.062 119.348 120.400 0.017 0.000 2.342 375 D HA -0.033 4.607 4.640 -0.000 0.000 0.221 375 D C 0.795 177.113 176.300 0.031 0.000 1.101 375 D CA 0.889 54.901 54.000 0.020 0.000 0.837 375 D CB -0.971 39.834 40.800 0.008 0.000 0.938 375 D HN 0.234 nan 8.370 nan 0.000 0.508 376 T N -3.710 110.862 114.554 0.030 0.000 6.412 376 T HA -0.263 4.086 4.350 -0.000 0.000 0.279 376 T C 0.503 175.197 174.700 -0.010 0.000 2.177 376 T CA 1.512 63.628 62.100 0.026 0.000 3.599 376 T CB -3.023 65.894 68.868 0.080 0.000 1.259 376 T HN 0.561 nan 8.240 nan 0.000 1.146 377 T N -0.952 113.607 114.554 0.008 0.000 2.788 377 T HA 0.658 5.008 4.350 -0.000 0.000 0.280 377 T C 0.863 175.570 174.700 0.012 0.000 0.984 377 T CA -0.292 61.821 62.100 0.022 0.000 0.972 377 T CB 1.298 70.185 68.868 0.032 0.000 1.039 377 T HN 0.601 nan 8.240 nan 0.000 0.530 378 c N 0.650 119.276 118.600 0.044 0.000 2.365 378 c HA 0.877 5.447 4.570 -0.000 0.000 0.349 378 c C 1.354 175.488 174.090 0.074 0.000 1.191 378 c CA -0.332 56.029 56.329 0.054 0.000 2.114 378 c CB 0.675 43.246 42.510 0.101 0.000 2.367 378 c HN 1.183 nan 8.230 nan 0.000 0.530 379 G N 0.332 109.178 108.800 0.077 0.000 2.938 379 G HA2 0.464 4.424 3.960 -0.000 0.000 0.258 379 G HA3 0.464 4.424 3.960 -0.000 0.000 0.258 379 G C -0.051 174.921 174.900 0.121 0.000 1.356 379 G CA -0.201 44.940 45.100 0.068 0.000 1.052 379 G HN 0.754 nan 8.290 nan 0.000 0.550 380 N N 0.206 118.936 118.700 0.051 0.000 2.714 380 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 380 N C -0.015 175.373 175.510 -0.203 0.000 1.117 380 N CA 1.350 54.397 53.050 -0.006 0.000 0.719 380 N CB -0.575 37.981 38.487 0.115 0.000 1.081 380 N HN 0.694 nan 8.380 nan 0.000 0.557 381 D N -4.002 116.312 120.400 -0.143 0.000 3.077 381 D HA -0.223 4.417 4.640 -0.000 0.000 0.212 381 D C -0.391 175.752 176.300 -0.261 0.000 1.125 381 D CA 1.082 54.958 54.000 -0.208 0.000 0.970 381 D CB -1.488 39.170 40.800 -0.236 0.000 1.110 381 D HN 0.522 nan 8.370 nan 0.000 0.419 382 W N 0.522 121.793 121.300 -0.048 0.000 2.311 382 W HA 0.362 5.022 4.660 -0.000 0.000 0.310 382 W C 1.743 178.238 176.519 -0.039 0.000 1.274 382 W CA -0.888 56.442 57.345 -0.025 0.000 1.215 382 W CB 0.727 30.122 29.460 -0.108 0.000 1.227 382 W HN -0.279 nan 8.180 nan 0.000 0.523 383 V N 2.323 122.290 119.914 0.089 0.000 2.379 383 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 383 V C 1.235 177.384 176.094 0.092 0.000 1.044 383 V CA 0.556 62.807 62.300 -0.081 0.000 1.036 383 V CB -0.904 30.548 31.823 -0.618 0.000 0.664 383 V HN 0.872 nan 8.190 nan 0.000 0.453 384 c N 1.224 119.920 118.600 0.160 0.000 4.056 384 c HA -0.156 4.413 4.570 -0.000 0.000 0.302 384 c C 1.662 175.630 174.090 -0.202 0.000 1.356 384 c CA 0.492 56.892 56.329 0.117 0.000 2.074 384 c CB -2.564 39.980 42.510 0.056 0.000 1.328 384 c HN 0.685 nan 8.230 nan 0.000 0.684 385 E N 0.457 120.422 120.200 -0.392 0.000 2.160 385 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 385 E C 1.949 178.290 176.600 -0.431 0.000 0.991 385 E CA 1.691 57.485 56.400 -1.011 0.000 0.810 385 E CB -0.176 29.081 29.700 -0.738 0.000 0.742 385 E HN 0.973 nan 8.360 nan 0.000 0.466 386 H N -0.042 118.932 119.070 -0.161 0.000 2.518 386 H HA 0.072 4.628 4.556 -0.000 0.000 0.289 386 H C 1.349 176.783 175.328 0.177 0.000 1.051 386 H CA 0.986 57.074 56.048 0.067 0.000 1.280 386 H CB -0.042 29.684 29.762 -0.061 0.000 1.380 386 H HN 0.095 nan 8.280 nan 0.000 0.566 387 R N -0.670 119.581 120.500 -0.415 0.000 2.312 387 R HA 0.052 4.392 4.340 -0.000 0.000 0.205 387 R C -0.178 176.264 176.300 0.235 0.000 0.904 387 R CA -0.409 55.561 56.100 -0.218 0.000 1.052 387 R CB 0.247 30.228 30.300 -0.533 0.000 1.014 387 R HN 0.108 nan 8.270 nan 0.000 0.503 388 W N 1.938 123.262 121.300 0.040 0.000 2.251 388 W HA 0.106 4.766 4.660 -0.001 0.000 0.327 388 W C 1.563 178.159 176.519 0.128 0.000 1.361 388 W CA -0.942 56.455 57.345 0.087 0.000 1.234 388 W CB 0.005 29.538 29.460 0.123 0.000 1.212 388 W HN 0.082 nan 8.180 nan 0.000 0.557 389 R N 1.788 122.465 120.500 0.295 0.000 2.113 389 R HA -0.311 4.029 4.340 -0.000 0.000 0.244 389 R C 1.681 178.107 176.300 0.209 0.000 1.142 389 R CA 2.491 58.718 56.100 0.213 0.000 0.953 389 R CB 0.027 30.398 30.300 0.120 0.000 0.860 389 R HN 0.490 nan 8.270 nan 0.000 0.438 390 Q N 0.027 119.960 119.800 0.223 0.000 2.170 390 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 390 Q C 1.985 178.140 176.000 0.258 0.000 0.976 390 Q CA 1.677 57.602 55.803 0.203 0.000 0.858 390 Q CB -0.039 28.844 28.738 0.242 0.000 0.907 390 Q HN 0.480 nan 8.270 nan 0.000 0.433 391 I N -0.361 120.400 120.570 0.318 0.000 2.429 391 I HA -0.130 4.040 4.170 -0.000 0.000 0.247 391 I C 2.499 178.756 176.117 0.232 0.000 1.099 391 I CA 0.470 61.922 61.300 0.253 0.000 1.422 391 I CB -0.260 37.880 38.000 0.233 0.000 1.112 391 I HN 0.154 nan 8.210 nan 0.000 0.430 392 R N 1.625 122.313 120.500 0.314 0.000 2.091 392 R HA -0.207 4.132 4.340 -0.000 0.000 0.238 392 R C 1.761 178.165 176.300 0.172 0.000 1.136 392 R CA 1.947 58.251 56.100 0.340 0.000 0.959 392 R CB -0.471 30.099 30.300 0.450 0.000 0.856 392 R HN 0.329 nan 8.270 nan 0.000 0.437 393 N N 0.071 118.874 118.700 0.172 0.000 2.309 393 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 393 N C 1.542 177.145 175.510 0.156 0.000 1.018 393 N CA 0.998 54.139 53.050 0.152 0.000 0.876 393 N CB -0.105 38.471 38.487 0.148 0.000 0.972 393 N HN 0.216 nan 8.380 nan 0.000 0.434 394 M N -0.171 119.501 119.600 0.121 0.000 2.388 394 M HA 0.068 4.548 4.480 -0.000 0.000 0.265 394 M C 1.814 178.146 176.300 0.053 0.000 1.088 394 M CA 0.337 55.692 55.300 0.091 0.000 1.134 394 M CB -0.545 32.085 32.600 0.051 0.000 1.384 394 M HN -0.124 nan 8.290 nan 0.000 0.447 395 V N 0.409 120.299 119.914 -0.040 0.000 2.358 395 V HA -0.243 3.876 4.120 -0.000 0.000 0.246 395 V C 2.302 178.282 176.094 -0.190 0.000 1.047 395 V CA 1.447 63.616 62.300 -0.219 0.000 1.035 395 V CB -0.452 31.032 31.823 -0.566 0.000 0.658 395 V HN 0.346 nan 8.190 nan 0.000 0.452 396 I N -0.978 119.521 120.570 -0.118 0.000 2.252 396 I HA -0.219 3.950 4.170 -0.000 0.000 0.245 396 I C 2.319 178.343 176.117 -0.155 0.000 1.102 396 I CA 1.589 62.816 61.300 -0.122 0.000 1.385 396 I CB -0.435 37.533 38.000 -0.053 0.000 1.064 396 I HN 0.325 nan 8.210 nan 0.000 0.414 397 F N 2.065 121.874 119.950 -0.235 0.000 2.091 397 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 397 F C 2.720 178.400 175.800 -0.200 0.000 1.103 397 F CA 1.859 59.695 58.000 -0.274 0.000 1.228 397 F CB -0.387 38.581 39.000 -0.052 0.000 0.984 397 F HN -0.145 nan 8.300 nan 0.000 0.477 398 R N 0.214 120.832 120.500 0.197 0.000 2.081 398 R HA -0.188 4.151 4.340 -0.000 0.000 0.235 398 R C 2.044 178.306 176.300 -0.064 0.000 1.131 398 R CA 1.747 57.902 56.100 0.093 0.000 0.960 398 R CB -0.366 29.950 30.300 0.026 0.000 0.856 398 R HN 0.308 nan 8.270 nan 0.000 0.436 399 N N -0.055 118.573 118.700 -0.120 0.000 2.120 399 N HA -0.130 4.609 4.740 -0.000 0.000 0.188 399 N C 1.755 177.172 175.510 -0.155 0.000 1.024 399 N CA 1.301 54.274 53.050 -0.130 0.000 0.852 399 N CB -0.295 38.109 38.487 -0.138 0.000 1.003 399 N HN 0.055 nan 8.380 nan 0.000 0.424 400 V N 0.988 120.752 119.914 -0.251 0.000 2.427 400 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 400 V C 2.132 178.079 176.094 -0.245 0.000 1.051 400 V CA 1.493 63.622 62.300 -0.286 0.000 1.048 400 V CB -0.520 31.001 31.823 -0.504 0.000 0.666 400 V HN 0.300 nan 8.190 nan 0.000 0.456 401 V N -2.046 117.696 119.914 -0.287 0.000 3.647 401 V HA 0.241 4.360 4.120 -0.000 0.000 0.279 401 V C 0.643 176.690 176.094 -0.078 0.000 1.314 401 V CA -0.172 62.008 62.300 -0.200 0.000 1.125 401 V CB -0.433 31.220 31.823 -0.283 0.000 0.907 401 V HN 0.453 nan 8.190 nan 0.000 0.434 402 D N 1.682 122.041 120.400 -0.067 0.000 2.581 402 D HA 0.362 5.002 4.640 -0.000 0.000 0.238 402 D C 1.473 177.765 176.300 -0.013 0.000 1.145 402 D CA 2.130 56.114 54.000 -0.027 0.000 0.866 402 D CB 0.321 41.103 40.800 -0.031 0.000 1.151 402 D HN 0.629 nan 8.370 nan 0.000 0.500 403 G N 3.111 111.914 108.800 0.005 0.000 2.234 403 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.235 403 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.235 403 G C 0.210 175.123 174.900 0.022 0.000 0.997 403 G CA -0.033 45.073 45.100 0.010 0.000 0.623 403 G HN 0.581 nan 8.290 nan 0.000 0.514 404 Q N 1.778 121.593 119.800 0.026 0.000 2.327 404 Q HA 0.388 4.728 4.340 -0.000 0.000 0.254 404 Q C -1.929 174.118 176.000 0.078 0.000 0.952 404 Q CA -1.261 54.569 55.803 0.044 0.000 0.884 404 Q CB 1.297 30.055 28.738 0.034 0.000 1.224 404 Q HN 0.435 nan 8.270 nan 0.000 0.422 405 P HA 0.092 nan 4.420 nan 0.000 0.274 405 P C -0.661 176.750 177.300 0.185 0.000 1.237 405 P CA -0.418 62.757 63.100 0.125 0.000 0.793 405 P CB 0.489 32.252 31.700 0.106 0.000 0.977 406 F N 2.458 122.427 119.950 0.031 0.000 2.471 406 F HA 0.352 4.879 4.527 -0.000 0.000 0.365 406 F C 0.243 176.115 175.800 0.120 0.000 1.095 406 F CA 0.756 58.778 58.000 0.036 0.000 1.174 406 F CB 0.090 39.023 39.000 -0.113 0.000 1.105 406 F HN 0.425 nan 8.300 nan 0.000 0.535 407 T N 1.778 116.191 114.554 -0.234 0.000 2.754 407 T HA 0.308 4.658 4.350 -0.000 0.000 0.296 407 T C -0.376 174.299 174.700 -0.041 0.000 1.205 407 T CA -1.125 60.915 62.100 -0.101 0.000 1.009 407 T CB 1.342 70.243 68.868 0.056 0.000 1.368 407 T HN 0.532 nan 8.240 nan 0.000 0.509 408 N N 0.546 119.307 118.700 0.101 0.000 2.716 408 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 408 N C -0.389 175.282 175.510 0.268 0.000 1.033 408 N CA 0.669 53.849 53.050 0.217 0.000 0.727 408 N CB -0.800 37.865 38.487 0.298 0.000 0.950 408 N HN 0.742 nan 8.380 nan 0.000 0.541 409 W N 0.976 122.296 121.300 0.033 0.000 2.181 409 W HA 0.268 4.928 4.660 -0.000 0.000 0.335 409 W C -0.398 176.261 176.519 0.233 0.000 1.310 409 W CA 0.063 57.463 57.345 0.092 0.000 1.226 409 W CB 0.282 29.773 29.460 0.051 0.000 1.155 409 W HN 0.222 nan 8.180 nan 0.000 0.565 410 Y N 5.032 124.922 120.300 -0.685 0.000 2.524 410 Y HA 0.395 4.944 4.550 -0.000 0.000 0.347 410 Y C -1.526 173.939 175.900 -0.724 0.000 1.005 410 Y CA -0.942 56.906 58.100 -0.420 0.000 1.025 410 Y CB 1.458 39.851 38.460 -0.112 0.000 1.275 410 Y HN 0.515 nan 8.280 nan 0.000 0.460 411 D N 1.996 121.564 120.400 -1.387 0.000 2.736 411 D HA 0.193 4.832 4.640 -0.000 0.000 0.223 411 D C -1.081 174.724 176.300 -0.825 0.000 1.231 411 D CA -0.782 52.698 54.000 -0.867 0.000 0.818 411 D CB 1.013 41.760 40.800 -0.088 0.000 1.587 411 D HN 0.449 nan 8.370 nan 0.000 0.463 412 N N 1.381 119.867 118.700 -0.357 0.000 2.268 412 N HA 0.186 4.926 4.740 -0.000 0.000 0.204 412 N C 1.388 176.930 175.510 0.054 0.000 1.124 412 N CA 0.330 53.369 53.050 -0.017 0.000 0.838 412 N CB 0.412 39.060 38.487 0.268 0.000 0.994 412 N HN 1.045 nan 8.380 nan 0.000 0.489 413 G N -1.250 107.554 108.800 0.007 0.000 2.179 413 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 413 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 413 G C 0.429 175.340 174.900 0.018 0.000 0.977 413 G CA 0.668 45.795 45.100 0.045 0.000 0.641 413 G HN 0.643 nan 8.290 nan 0.000 0.533 414 S N -0.646 115.064 115.700 0.016 0.000 3.896 414 S HA 0.449 4.919 4.470 -0.000 0.000 0.187 414 S C 0.953 175.473 174.600 -0.132 0.000 1.007 414 S CA 0.795 58.984 58.200 -0.018 0.000 1.499 414 S CB 0.207 63.493 63.200 0.143 0.000 0.986 414 S HN 0.299 nan 8.310 nan 0.000 0.827 415 N N 0.633 119.231 118.700 -0.169 0.000 2.291 415 N HA 0.340 5.080 4.740 -0.000 0.000 0.244 415 N C -1.330 174.035 175.510 -0.242 0.000 1.216 415 N CA -0.089 52.820 53.050 -0.235 0.000 0.879 415 N CB 1.089 39.413 38.487 -0.270 0.000 1.167 415 N HN 0.303 nan 8.380 nan 0.000 0.515 416 Q N 1.468 121.154 119.800 -0.189 0.000 2.394 416 Q HA 0.459 4.799 4.340 -0.000 0.000 0.259 416 Q C -0.776 175.085 176.000 -0.231 0.000 1.021 416 Q CA -0.712 54.954 55.803 -0.228 0.000 0.805 416 Q CB 2.037 30.727 28.738 -0.081 0.000 1.226 416 Q HN 0.115 nan 8.270 nan 0.000 0.476 417 V N -1.227 118.517 119.914 -0.282 0.000 3.141 417 V HA 1.057 5.177 4.120 -0.000 0.000 0.312 417 V C -1.099 174.819 176.094 -0.293 0.000 1.157 417 V CA -0.858 61.219 62.300 -0.372 0.000 1.041 417 V CB 1.961 33.493 31.823 -0.484 0.000 1.071 417 V HN 0.728 nan 8.190 nan 0.000 0.441 418 A N 1.675 124.235 122.820 -0.433 0.000 2.608 418 A HA 1.022 5.341 4.320 -0.000 0.000 0.292 418 A C -1.214 176.134 177.584 -0.393 0.000 1.066 418 A CA -0.185 51.581 52.037 -0.453 0.000 0.676 418 A CB 1.706 20.451 19.000 -0.425 0.000 1.277 418 A HN 2.433 nan 8.150 nan 0.000 0.413 419 F N -1.419 118.095 119.950 -0.727 0.000 2.770 419 F HA 0.821 5.348 4.527 -0.000 0.000 0.313 419 F C -0.090 175.325 175.800 -0.641 0.000 1.154 419 F CA -0.295 57.413 58.000 -0.488 0.000 0.923 419 F CB 0.754 39.645 39.000 -0.182 0.000 1.301 419 F HN 1.166 nan 8.300 nan 0.000 0.449 420 G N 0.517 109.319 108.800 0.002 0.000 2.685 420 G HA2 0.688 4.648 3.960 -0.000 0.000 0.298 420 G HA3 0.688 4.648 3.960 -0.000 0.000 0.298 420 G C -1.612 173.429 174.900 0.236 0.000 1.277 420 G CA -1.315 43.880 45.100 0.158 0.000 0.986 420 G HN 0.588 nan 8.290 nan 0.000 0.487 421 R N 0.397 121.024 120.500 0.210 0.000 2.352 421 R HA 0.491 4.831 4.340 -0.000 0.000 0.304 421 R C 0.897 177.259 176.300 0.104 0.000 1.104 421 R CA 0.056 56.263 56.100 0.178 0.000 0.991 421 R CB 0.354 30.756 30.300 0.170 0.000 1.140 421 R HN 1.271 nan 8.270 nan 0.000 0.540 422 G N 3.600 112.461 108.800 0.103 0.000 2.611 422 G HA2 -0.430 3.529 3.960 -0.000 0.000 0.301 422 G HA3 -0.430 3.529 3.960 -0.000 0.000 0.301 422 G C 0.343 175.285 174.900 0.071 0.000 1.233 422 G CA 0.670 45.815 45.100 0.075 0.000 0.993 422 G HN 0.661 nan 8.290 nan 0.000 0.553 423 N N 0.747 119.477 118.700 0.049 0.000 2.275 423 N HA 0.178 4.918 4.740 -0.000 0.000 0.236 423 N C 1.323 176.855 175.510 0.037 0.000 1.154 423 N CA 0.164 53.240 53.050 0.044 0.000 0.866 423 N CB 0.462 38.973 38.487 0.040 0.000 1.093 423 N HN 0.690 nan 8.380 nan 0.000 0.515 424 R N -0.803 119.706 120.500 0.016 0.000 2.373 424 R HA 0.327 4.667 4.340 -0.000 0.000 0.221 424 R C 0.204 176.461 176.300 -0.071 0.000 0.893 424 R CA 0.328 56.417 56.100 -0.018 0.000 1.049 424 R CB 1.155 31.419 30.300 -0.060 0.000 1.119 424 R HN 0.232 nan 8.270 nan 0.000 0.535 425 G N 0.490 109.260 108.800 -0.050 0.000 2.667 425 G HA2 0.487 4.447 3.960 -0.000 0.000 0.294 425 G HA3 0.487 4.447 3.960 -0.000 0.000 0.294 425 G C -2.107 172.917 174.900 0.206 0.000 1.467 425 G CA -0.444 44.621 45.100 -0.060 0.000 0.852 425 G HN 0.013 nan 8.290 nan 0.000 0.521 426 F N 0.595 120.600 119.950 0.092 0.000 2.608 426 F HA 0.817 5.343 4.527 -0.000 0.000 0.309 426 F C -1.099 174.625 175.800 -0.126 0.000 1.103 426 F CA -0.966 57.010 58.000 -0.041 0.000 0.954 426 F CB 2.121 41.065 39.000 -0.094 0.000 1.267 426 F HN 0.515 nan 8.300 nan 0.000 0.444 427 I N 5.391 125.376 120.570 -0.975 0.000 2.656 427 I HA 0.699 4.868 4.170 -0.000 0.000 0.292 427 I C -1.825 173.590 176.117 -1.171 0.000 1.144 427 I CA -0.728 60.005 61.300 -0.945 0.000 1.038 427 I CB 1.945 39.353 38.000 -0.988 0.000 1.244 427 I HN 0.369 nan 8.210 nan 0.000 0.420 428 V N 6.969 126.294 119.914 -0.981 0.000 2.656 428 V HA 0.545 4.665 4.120 -0.000 0.000 0.307 428 V C -0.992 174.623 176.094 -0.799 0.000 1.051 428 V CA -0.518 61.278 62.300 -0.839 0.000 0.893 428 V CB 1.789 33.129 31.823 -0.806 0.000 0.999 428 V HN 0.467 nan 8.190 nan 0.000 0.426 429 F N 2.426 122.131 119.950 -0.409 0.000 2.532 429 F HA 0.596 5.123 4.527 -0.000 0.000 0.321 429 F C 0.140 175.699 175.800 -0.401 0.000 1.089 429 F CA -0.659 57.163 58.000 -0.296 0.000 0.926 429 F CB 1.968 40.808 39.000 -0.267 0.000 1.168 429 F HN 0.460 nan 8.300 nan 0.000 0.459 430 N N 1.817 120.460 118.700 -0.094 0.000 2.576 430 N HA 0.195 4.935 4.740 -0.000 0.000 0.269 430 N C -0.959 174.467 175.510 -0.140 0.000 1.058 430 N CA -0.268 52.673 53.050 -0.182 0.000 0.860 430 N CB 0.605 39.017 38.487 -0.124 0.000 1.249 430 N HN 0.569 nan 8.380 nan 0.000 0.525 431 N N 1.983 120.559 118.700 -0.207 0.000 2.282 431 N HA 0.181 4.920 4.740 -0.000 0.000 0.240 431 N C -1.069 174.270 175.510 -0.284 0.000 1.182 431 N CA -0.168 52.757 53.050 -0.208 0.000 0.874 431 N CB 0.358 38.715 38.487 -0.217 0.000 1.126 431 N HN 0.495 nan 8.380 nan 0.000 0.516 432 D N -0.569 119.571 120.400 -0.434 0.000 2.387 432 D HA 0.161 4.800 4.640 -0.000 0.000 0.255 432 D C -0.129 175.843 176.300 -0.548 0.000 1.081 432 D CA -0.196 53.374 54.000 -0.717 0.000 0.994 432 D CB 0.984 40.879 40.800 -1.508 0.000 1.127 432 D HN 0.075 nan 8.370 nan 0.000 0.513 433 D N 0.675 120.821 120.400 -0.422 0.000 2.413 433 D HA 0.118 4.758 4.640 -0.000 0.000 0.237 433 D C -0.057 176.357 176.300 0.191 0.000 1.171 433 D CA 0.048 54.031 54.000 -0.028 0.000 0.839 433 D CB -0.094 40.783 40.800 0.129 0.000 0.950 433 D HN 0.312 nan 8.370 nan 0.000 0.499 434 W N -1.219 120.120 121.300 0.066 0.000 3.042 434 W HA 0.520 5.180 4.660 -0.001 0.000 0.342 434 W C -0.534 176.047 176.519 0.104 0.000 1.240 434 W CA -1.044 56.346 57.345 0.075 0.000 1.166 434 W CB 0.049 29.551 29.460 0.069 0.000 1.469 434 W HN -0.422 nan 8.180 nan 0.000 0.579 435 S N 1.349 117.262 115.700 0.355 0.000 2.579 435 S HA 0.367 4.837 4.470 -0.000 0.000 0.275 435 S C -1.151 173.659 174.600 0.349 0.000 1.345 435 S CA -0.229 58.130 58.200 0.265 0.000 1.031 435 S CB 0.301 63.624 63.200 0.204 0.000 0.892 435 S HN 0.395 nan 8.310 nan 0.000 0.529 436 F N 2.079 122.095 119.950 0.110 0.000 2.467 436 F HA 0.562 5.089 4.527 -0.000 0.000 0.336 436 F C -0.035 175.809 175.800 0.074 0.000 1.123 436 F CA -0.375 57.686 58.000 0.102 0.000 0.964 436 F CB 1.384 40.407 39.000 0.038 0.000 1.136 436 F HN 0.431 nan 8.300 nan 0.000 0.447 437 S N 7.628 122.988 115.700 -0.567 0.000 2.511 437 S HA 0.700 5.170 4.470 -0.000 0.000 0.233 437 S C -2.066 172.186 174.600 -0.578 0.000 1.104 437 S CA -0.426 57.513 58.200 -0.434 0.000 1.129 437 S CB 0.315 63.498 63.200 -0.028 0.000 1.159 437 S HN 0.767 nan 8.310 nan 0.000 0.451 438 L N 3.288 123.970 121.223 -0.902 0.000 2.518 438 L HA 0.657 4.997 4.340 -0.000 0.000 0.257 438 L C -0.616 176.025 176.870 -0.382 0.000 0.980 438 L CA -0.017 54.495 54.840 -0.546 0.000 0.837 438 L CB 2.274 43.933 42.059 -0.667 0.000 1.410 438 L HN 0.486 nan 8.230 nan 0.000 0.410 439 T N 3.905 118.423 114.554 -0.060 0.000 2.743 439 T HA 0.670 5.020 4.350 -0.000 0.000 0.293 439 T C -0.627 174.066 174.700 -0.013 0.000 0.945 439 T CA -0.080 62.040 62.100 0.033 0.000 1.030 439 T CB 0.300 69.224 68.868 0.093 0.000 0.912 439 T HN 0.247 nan 8.240 nan 0.000 0.483 440 L N 2.871 124.125 121.223 0.052 0.000 2.319 440 L HA 0.565 4.905 4.340 -0.000 0.000 0.267 440 L C 0.040 176.879 176.870 -0.052 0.000 1.011 440 L CA -0.981 53.871 54.840 0.020 0.000 0.818 440 L CB 1.644 43.768 42.059 0.107 0.000 1.316 440 L HN 0.427 nan 8.230 nan 0.000 0.432 441 Q N -0.185 119.581 119.800 -0.058 0.000 2.294 441 Q HA 0.308 4.648 4.340 -0.000 0.000 0.257 441 Q C 0.609 176.430 176.000 -0.299 0.000 0.955 441 Q CA 0.531 56.273 55.803 -0.102 0.000 0.936 441 Q CB 1.187 29.927 28.738 0.004 0.000 1.188 441 Q HN 0.766 nan 8.270 nan 0.000 0.420 442 T N 0.161 114.442 114.554 -0.456 0.000 3.023 442 T HA 0.277 4.627 4.350 -0.000 0.000 0.249 442 T C 1.259 175.823 174.700 -0.227 0.000 1.050 442 T CA 0.508 62.137 62.100 -0.785 0.000 1.088 442 T CB -0.064 68.284 68.868 -0.867 0.000 0.946 442 T HN 1.013 nan 8.240 nan 0.000 0.480 443 G N 1.446 110.177 108.800 -0.114 0.000 2.162 443 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.260 443 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.260 443 G C -0.063 174.827 174.900 -0.016 0.000 0.976 443 G CA 0.409 45.499 45.100 -0.016 0.000 0.655 443 G HN 0.652 nan 8.290 nan 0.000 0.533 444 L N 0.572 121.752 121.223 -0.071 0.000 2.379 444 L HA 0.496 4.836 4.340 -0.000 0.000 0.269 444 L C -1.765 175.122 176.870 0.028 0.000 1.084 444 L CA -2.301 52.513 54.840 -0.043 0.000 0.802 444 L CB 1.129 43.063 42.059 -0.209 0.000 1.175 444 L HN -0.131 nan 8.230 nan 0.000 0.448 445 P HA 0.087 nan 4.420 nan 0.000 0.271 445 P C -0.704 176.706 177.300 0.183 0.000 1.218 445 P CA -0.288 62.887 63.100 0.124 0.000 0.780 445 P CB 0.665 32.439 31.700 0.123 0.000 0.901 446 A N 2.260 125.146 122.820 0.110 0.000 2.520 446 A HA 0.505 4.825 4.320 -0.000 0.000 0.235 446 A C 0.838 178.493 177.584 0.118 0.000 1.065 446 A CA 1.224 53.328 52.037 0.112 0.000 0.764 446 A CB -0.914 18.120 19.000 0.056 0.000 1.002 446 A HN 0.778 nan 8.150 nan 0.000 0.502 447 G N -0.399 108.482 108.800 0.134 0.000 2.369 447 G HA2 0.431 4.391 3.960 -0.000 0.000 0.293 447 G HA3 0.431 4.391 3.960 -0.000 0.000 0.293 447 G C -0.722 174.206 174.900 0.047 0.000 1.301 447 G CA -0.198 44.910 45.100 0.013 0.000 0.913 447 G HN 1.046 nan 8.290 nan 0.000 0.540 448 T N 0.957 115.440 114.554 -0.117 0.000 2.771 448 T HA 0.654 5.004 4.350 -0.000 0.000 0.281 448 T C -1.194 173.329 174.700 -0.296 0.000 0.982 448 T CA 0.109 62.131 62.100 -0.131 0.000 0.978 448 T CB 0.758 69.586 68.868 -0.066 0.000 0.930 448 T HN 0.400 nan 8.240 nan 0.000 0.447 449 Y N 0.481 120.642 120.300 -0.232 0.000 2.468 449 Y HA 0.449 4.999 4.550 -0.000 0.000 0.342 449 Y C 0.355 176.132 175.900 -0.206 0.000 1.021 449 Y CA -1.232 56.757 58.100 -0.185 0.000 1.079 449 Y CB 1.078 39.455 38.460 -0.138 0.000 1.226 449 Y HN 0.573 nan 8.280 nan 0.000 0.460 450 c N 2.145 120.733 118.600 -0.020 0.000 2.435 450 c HA 0.203 4.773 4.570 -0.000 0.000 0.375 450 c C 0.264 174.327 174.090 -0.046 0.000 1.281 450 c CA -0.740 55.553 56.329 -0.061 0.000 1.963 450 c CB -0.367 42.101 42.510 -0.071 0.000 2.490 450 c HN 0.773 nan 8.230 nan 0.000 0.557 451 D N 1.675 122.044 120.400 -0.052 0.000 2.371 451 D HA 0.148 4.788 4.640 -0.000 0.000 0.256 451 D C 0.993 177.254 176.300 -0.065 0.000 1.193 451 D CA -0.282 53.687 54.000 -0.052 0.000 0.881 451 D CB 1.010 41.772 40.800 -0.063 0.000 1.143 451 D HN 0.438 nan 8.370 nan 0.000 0.473 452 V N 2.533 122.416 119.914 -0.052 0.000 3.573 452 V HA 0.019 4.139 4.120 -0.000 0.000 0.270 452 V C 1.473 177.532 176.094 -0.059 0.000 1.221 452 V CA 0.280 62.569 62.300 -0.017 0.000 1.163 452 V CB -0.640 31.232 31.823 0.082 0.000 0.847 452 V HN 0.515 nan 8.190 nan 0.000 0.468 453 I N 2.147 122.614 120.570 -0.172 0.000 2.429 453 I HA -0.011 4.159 4.170 -0.000 0.000 0.247 453 I C 2.696 178.697 176.117 -0.192 0.000 1.099 453 I CA 1.908 63.034 61.300 -0.290 0.000 1.422 453 I CB -1.082 36.502 38.000 -0.693 0.000 1.112 453 I HN 0.580 nan 8.210 nan 0.000 0.430 454 S N -0.239 115.363 115.700 -0.164 0.000 2.527 454 S HA 0.306 4.776 4.470 -0.000 0.000 0.222 454 S C 1.009 175.574 174.600 -0.058 0.000 0.985 454 S CA 0.391 58.530 58.200 -0.102 0.000 0.921 454 S CB 0.040 63.186 63.200 -0.090 0.000 0.772 454 S HN 0.452 nan 8.310 nan 0.000 0.529 455 G N -0.305 108.465 108.800 -0.050 0.000 2.578 455 G HA2 0.523 4.483 3.960 -0.000 0.000 0.302 455 G HA3 0.523 4.483 3.960 -0.000 0.000 0.302 455 G C -2.289 172.605 174.900 -0.009 0.000 1.243 455 G CA -0.601 44.485 45.100 -0.024 0.000 0.843 455 G HN 0.189 nan 8.290 nan 0.000 0.486 456 D N -0.531 119.867 120.400 -0.003 0.000 2.559 456 D HA 0.363 5.003 4.640 -0.000 0.000 0.250 456 D C -0.995 175.300 176.300 -0.009 0.000 1.135 456 D CA -0.560 53.444 54.000 0.007 0.000 0.955 456 D CB 2.770 43.586 40.800 0.026 0.000 1.442 456 D HN 0.386 nan 8.370 nan 0.000 0.471 457 K N 1.530 121.925 120.400 -0.008 0.000 2.253 457 K HA 0.534 4.854 4.320 -0.000 0.000 0.277 457 K C -1.109 175.486 176.600 -0.008 0.000 1.053 457 K CA -0.268 56.006 56.287 -0.022 0.000 0.892 457 K CB 0.322 32.802 32.500 -0.034 0.000 1.102 457 K HN 0.365 nan 8.250 nan 0.000 0.469 458 I N 3.961 124.525 120.570 -0.010 0.000 2.571 458 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 458 I C -0.495 175.618 176.117 -0.008 0.000 1.115 458 I CA -0.990 60.308 61.300 -0.003 0.000 1.045 458 I CB 1.934 39.936 38.000 0.004 0.000 1.238 458 I HN 0.769 nan 8.210 nan 0.000 0.424 459 N N 4.556 123.253 118.700 -0.006 0.000 2.727 459 N HA -0.192 4.547 4.740 -0.000 0.000 0.249 459 N C 0.880 176.382 175.510 -0.013 0.000 1.048 459 N CA 1.285 54.330 53.050 -0.008 0.000 0.714 459 N CB -0.955 37.529 38.487 -0.004 0.000 0.959 459 N HN 1.224 nan 8.380 nan 0.000 0.544 460 G N -1.293 107.496 108.800 -0.020 0.000 2.155 460 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 460 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 460 G C -0.026 174.856 174.900 -0.029 0.000 0.983 460 G CA 0.625 45.709 45.100 -0.027 0.000 0.676 460 G HN 0.601 nan 8.290 nan 0.000 0.528 461 N N -1.345 117.339 118.700 -0.026 0.000 2.525 461 N HA 0.554 5.294 4.740 -0.000 0.000 0.270 461 N C -0.540 174.953 175.510 -0.029 0.000 1.321 461 N CA -0.006 53.029 53.050 -0.025 0.000 0.797 461 N CB 1.640 40.118 38.487 -0.015 0.000 1.529 461 N HN 0.140 nan 8.380 nan 0.000 0.491 462 c N 0.293 118.873 118.600 -0.033 0.000 2.358 462 c HA 0.424 4.994 4.570 -0.000 0.000 0.342 462 c C 2.021 176.097 174.090 -0.024 0.000 1.234 462 c CA -0.503 55.804 56.329 -0.037 0.000 1.969 462 c CB 0.593 43.069 42.510 -0.056 0.000 2.346 462 c HN 0.849 nan 8.230 nan 0.000 0.525 463 T N -0.815 113.727 114.554 -0.020 0.000 3.065 463 T HA 0.291 4.641 4.350 -0.000 0.000 0.252 463 T C 0.848 175.538 174.700 -0.017 0.000 1.099 463 T CA 0.688 62.780 62.100 -0.013 0.000 1.063 463 T CB 0.138 69.002 68.868 -0.006 0.000 0.948 463 T HN 0.858 nan 8.240 nan 0.000 0.506 464 G N 0.903 109.687 108.800 -0.026 0.000 3.264 464 G HA2 0.657 4.617 3.960 -0.000 0.000 0.168 464 G HA3 0.657 4.617 3.960 -0.000 0.000 0.168 464 G C -0.664 174.215 174.900 -0.035 0.000 1.145 464 G CA -1.227 43.855 45.100 -0.030 0.000 0.855 464 G HN 0.400 nan 8.290 nan 0.000 0.629 465 I N 0.898 121.443 120.570 -0.042 0.000 2.692 465 I HA 0.183 4.353 4.170 -0.000 0.000 0.284 465 I C -0.032 176.037 176.117 -0.080 0.000 1.159 465 I CA 0.486 61.759 61.300 -0.044 0.000 1.423 465 I CB 0.863 38.843 38.000 -0.033 0.000 1.380 465 I HN 0.173 nan 8.210 nan 0.000 0.580 466 K N 6.160 126.486 120.400 -0.122 0.000 2.324 466 K HA 0.604 4.924 4.320 -0.000 0.000 0.253 466 K C -1.160 175.189 176.600 -0.417 0.000 0.932 466 K CA -0.684 55.443 56.287 -0.267 0.000 0.799 466 K CB 2.149 34.459 32.500 -0.318 0.000 1.154 466 K HN 0.310 nan 8.250 nan 0.000 0.425 467 I N 3.067 123.373 120.570 -0.441 0.000 2.441 467 I HA 0.288 4.458 4.170 -0.000 0.000 0.295 467 I C -0.791 175.004 176.117 -0.536 0.000 0.994 467 I CA -0.884 60.154 61.300 -0.437 0.000 1.144 467 I CB 1.098 38.930 38.000 -0.279 0.000 1.314 467 I HN 0.543 nan 8.210 nan 0.000 0.445 468 Y N 4.487 124.728 120.300 -0.099 0.000 2.356 468 Y HA 0.463 5.013 4.550 -0.000 0.000 0.334 468 Y C 0.178 176.032 175.900 -0.076 0.000 0.958 468 Y CA -0.868 57.205 58.100 -0.045 0.000 1.196 468 Y CB 1.598 40.024 38.460 -0.058 0.000 1.137 468 Y HN 0.168 nan 8.280 nan 0.000 0.485 469 V N 3.805 123.792 119.914 0.121 0.000 2.427 469 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 469 V C 0.189 176.323 176.094 0.066 0.000 1.034 469 V CA -0.817 61.508 62.300 0.042 0.000 0.893 469 V CB 1.317 33.167 31.823 0.045 0.000 0.982 469 V HN 0.890 nan 8.190 nan 0.000 0.452 470 S N 2.460 118.169 115.700 0.016 0.000 2.686 470 S HA 0.243 4.713 4.470 -0.000 0.000 0.270 470 S C 0.729 175.337 174.600 0.013 0.000 1.194 470 S CA -0.601 57.607 58.200 0.014 0.000 0.990 470 S CB 0.828 64.024 63.200 -0.007 0.000 1.029 470 S HN 0.666 nan 8.310 nan 0.000 0.560 471 D N 1.224 121.630 120.400 0.009 0.000 2.221 471 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 471 D C 1.091 177.394 176.300 0.006 0.000 0.982 471 D CA 1.615 55.621 54.000 0.010 0.000 0.857 471 D CB -0.471 40.332 40.800 0.005 0.000 0.934 471 D HN 0.848 nan 8.370 nan 0.000 0.475 472 D N -1.185 119.214 120.400 -0.002 0.000 2.328 472 D HA 0.141 4.781 4.640 -0.000 0.000 0.221 472 D C 1.502 177.794 176.300 -0.014 0.000 1.072 472 D CA 0.639 54.637 54.000 -0.004 0.000 0.850 472 D CB -0.033 40.765 40.800 -0.004 0.000 0.922 472 D HN 0.189 nan 8.370 nan 0.000 0.516 473 G N 0.002 108.788 108.800 -0.023 0.000 2.176 473 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 473 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 473 G C 0.213 175.054 174.900 -0.098 0.000 0.979 473 G CA 0.164 45.231 45.100 -0.055 0.000 0.641 473 G HN 0.464 nan 8.290 nan 0.000 0.530 474 K N 0.457 120.815 120.400 -0.071 0.000 2.154 474 K HA 0.709 5.029 4.320 -0.000 0.000 0.264 474 K C 0.183 176.719 176.600 -0.107 0.000 1.008 474 K CA 0.345 56.582 56.287 -0.082 0.000 0.937 474 K CB 1.500 33.974 32.500 -0.043 0.000 1.002 474 K HN 0.874 nan 8.250 nan 0.000 0.469 475 A N 1.640 124.373 122.820 -0.144 0.000 2.566 475 A HA 0.261 4.581 4.320 -0.000 0.000 0.297 475 A C -1.868 175.516 177.584 -0.333 0.000 1.059 475 A CA -0.728 51.146 52.037 -0.271 0.000 0.691 475 A CB 0.906 19.622 19.000 -0.473 0.000 1.282 475 A HN 0.837 nan 8.150 nan 0.000 0.401 476 H N 0.532 119.368 119.070 -0.388 0.000 2.580 476 H HA 0.684 5.240 4.556 -0.000 0.000 0.322 476 H C -1.468 173.578 175.328 -0.471 0.000 1.082 476 H CA 0.195 56.071 56.048 -0.287 0.000 1.383 476 H CB 0.372 30.043 29.762 -0.152 0.000 1.450 476 H HN 0.420 nan 8.280 nan 0.000 0.505 477 F N 2.327 121.995 119.950 -0.470 0.000 2.507 477 F HA 0.352 4.878 4.527 -0.000 0.000 0.325 477 F C -0.084 175.553 175.800 -0.271 0.000 1.116 477 F CA -0.649 57.238 58.000 -0.189 0.000 0.930 477 F CB 2.095 41.140 39.000 0.075 0.000 1.146 477 F HN 0.414 nan 8.300 nan 0.000 0.447 478 S N 4.827 120.606 115.700 0.132 0.000 2.756 478 S HA 0.749 5.218 4.470 -0.000 0.000 0.303 478 S C -1.090 173.621 174.600 0.185 0.000 1.135 478 S CA -0.377 57.897 58.200 0.123 0.000 1.066 478 S CB 0.141 63.419 63.200 0.129 0.000 1.008 478 S HN 0.515 nan 8.310 nan 0.000 0.482 479 I N 3.593 124.308 120.570 0.242 0.000 2.468 479 I HA 0.319 4.488 4.170 -0.000 0.000 0.284 479 I C 0.181 176.394 176.117 0.160 0.000 1.038 479 I CA -0.581 60.829 61.300 0.183 0.000 1.083 479 I CB 1.978 40.077 38.000 0.164 0.000 1.223 479 I HN 0.529 nan 8.210 nan 0.000 0.443 480 S N 4.400 120.166 115.700 0.111 0.000 2.565 480 S HA 0.110 4.580 4.470 -0.000 0.000 0.276 480 S C 1.394 176.038 174.600 0.073 0.000 1.326 480 S CA -0.638 57.621 58.200 0.098 0.000 1.045 480 S CB 0.597 63.845 63.200 0.080 0.000 0.918 480 S HN 0.760 nan 8.310 nan 0.000 0.505 481 N N 3.001 121.739 118.700 0.065 0.000 2.609 481 N HA -0.051 4.688 4.740 -0.000 0.000 0.190 481 N C 0.621 176.153 175.510 0.037 0.000 1.157 481 N CA 0.464 53.531 53.050 0.028 0.000 0.918 481 N CB -0.175 38.319 38.487 0.010 0.000 0.978 481 N HN 0.372 nan 8.380 nan 0.000 0.448 482 S N -0.361 115.368 115.700 0.049 0.000 2.540 482 S HA 0.335 4.805 4.470 -0.000 0.000 0.218 482 S C 0.866 175.490 174.600 0.040 0.000 0.977 482 S CA -0.384 57.842 58.200 0.044 0.000 0.918 482 S CB 0.240 63.468 63.200 0.047 0.000 0.806 482 S HN 0.618 nan 8.310 nan 0.000 0.496 483 A N 1.718 124.564 122.820 0.042 0.000 2.483 483 A HA 0.179 4.499 4.320 -0.000 0.000 0.238 483 A C 1.328 178.934 177.584 0.036 0.000 1.070 483 A CA -0.191 51.867 52.037 0.035 0.000 0.770 483 A CB 0.129 19.151 19.000 0.036 0.000 1.008 483 A HN 0.445 nan 8.150 nan 0.000 0.497 484 E N 0.625 120.839 120.200 0.023 0.000 2.058 484 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 484 E C -0.504 176.127 176.600 0.051 0.000 0.997 484 E CA 1.485 57.899 56.400 0.023 0.000 0.801 484 E CB 0.079 29.779 29.700 -0.000 0.000 0.746 484 E HN 0.706 nan 8.360 nan 0.000 0.450 485 D N 0.697 121.121 120.400 0.041 0.000 2.462 485 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 485 D C -2.222 174.141 176.300 0.104 0.000 1.122 485 D CA -1.484 52.576 54.000 0.100 0.000 0.864 485 D CB 1.699 42.472 40.800 -0.045 0.000 1.098 485 D HN 0.175 nan 8.370 nan 0.000 0.541 486 P HA 0.062 nan 4.420 nan 0.000 0.269 486 P C -0.728 176.707 177.300 0.225 0.000 1.601 486 P CA -0.097 63.098 63.100 0.158 0.000 0.831 486 P CB -0.790 30.971 31.700 0.103 0.000 1.688 487 F N -1.465 118.406 119.950 -0.131 0.000 2.641 487 F HA 0.645 5.172 4.527 -0.000 0.000 0.308 487 F C -1.591 174.036 175.800 -0.289 0.000 1.105 487 F CA -2.218 55.596 58.000 -0.309 0.000 0.964 487 F CB 0.761 39.472 39.000 -0.481 0.000 1.294 487 F HN -0.318 nan 8.300 nan 0.000 0.442 488 I N 2.577 122.926 120.570 -0.368 0.000 2.509 488 I HA 0.814 4.984 4.170 -0.000 0.000 0.293 488 I C -0.724 175.194 176.117 -0.333 0.000 1.020 488 I CA -1.197 59.911 61.300 -0.319 0.000 1.088 488 I CB 2.072 40.032 38.000 -0.066 0.000 1.267 488 I HN 1.011 nan 8.210 nan 0.000 0.430 489 A N 7.474 130.154 122.820 -0.234 0.000 2.398 489 A HA 0.885 5.205 4.320 -0.000 0.000 0.301 489 A C -0.885 176.746 177.584 0.077 0.000 1.041 489 A CA -0.473 51.494 52.037 -0.116 0.000 0.711 489 A CB 1.278 20.143 19.000 -0.226 0.000 1.240 489 A HN 0.713 nan 8.150 nan 0.000 0.420 490 I N 0.118 120.802 120.570 0.190 0.000 2.730 490 I HA 0.939 5.109 4.170 -0.000 0.000 0.298 490 I C -0.646 175.566 176.117 0.157 0.000 1.089 490 I CA -0.940 60.420 61.300 0.100 0.000 1.041 490 I CB 2.397 40.396 38.000 -0.001 0.000 1.235 490 I HN 0.935 nan 8.210 nan 0.000 0.423 491 H N 2.727 121.872 119.070 0.126 0.000 2.966 491 H HA 0.740 5.295 4.556 -0.000 0.000 0.330 491 H C 0.446 175.864 175.328 0.150 0.000 1.292 491 H CA -0.372 55.673 56.048 -0.004 0.000 1.127 491 H CB 1.163 30.769 29.762 -0.259 0.000 1.863 491 H HN 0.671 nan 8.280 nan 0.000 0.543 492 A N 0.243 123.240 122.820 0.295 0.000 1.958 492 A HA -0.230 4.089 4.320 -0.000 0.000 0.221 492 A C 1.597 179.303 177.584 0.204 0.000 1.178 492 A CA 2.091 54.276 52.037 0.246 0.000 0.642 492 A CB -0.708 18.365 19.000 0.122 0.000 0.816 492 A HN 0.745 nan 8.150 nan 0.000 0.453 493 E N -0.185 120.236 120.200 0.369 0.000 2.489 493 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 493 E C 1.682 178.320 176.600 0.065 0.000 1.057 493 E CA 0.883 57.418 56.400 0.225 0.000 0.866 493 E CB -0.074 29.778 29.700 0.253 0.000 0.916 493 E HN 0.753 nan 8.360 nan 0.000 0.500 494 S N -0.104 115.487 115.700 -0.180 0.000 2.557 494 S HA 0.113 4.583 4.470 -0.000 0.000 0.223 494 S C 0.776 175.288 174.600 -0.148 0.000 0.969 494 S CA -0.399 57.661 58.200 -0.234 0.000 0.927 494 S CB 0.170 63.096 63.200 -0.456 0.000 0.806 494 S HN -0.041 nan 8.310 nan 0.000 0.489 495 K N 1.116 121.398 120.400 -0.197 0.000 2.298 495 K HA 0.306 4.626 4.320 -0.000 0.000 0.280 495 K C -0.311 176.097 176.600 -0.320 0.000 1.032 495 K CA -0.645 55.330 56.287 -0.521 0.000 0.958 495 K CB 0.380 32.463 32.500 -0.696 0.000 0.978 495 K HN 0.147 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.027 121.223 -0.326 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.727 54.840 -0.189 0.000 0.813 496 L CB 0.000 41.971 42.059 -0.147 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502