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 2xn8_1_A DATA FIRST_RESID 19 DATA SEQUENCE SPNLPPGFDF TDPAIYAERL PVAEFAELRS AAPIWWNGQD PGKGGGFHDG DATA SEQUENCE GFWAITKLND VKEISRHSDV FSSYENGVIP RFKNDIARED IEVQRFVMLN DATA SEQUENCE MDAPHHTRLR KIISRGFTPR AVGRLHDELQ ERAQKIAAEA AAAGSGDFVE DATA SEQUENCE QVSCELPLQA IAGLLGVPQE DRGKLFHWSN EMTGNEDPEY AHIDPKASSA DATA SEQUENCE ELIGYAMKMA EEKAKXXADD IVTQLIQADX XGEKLSDDEF GFFVVMLAVA DATA SEQUENCE GNETTRNSIT QGMMAFAEHP DQWELYKKVR PETAADEIVR WATPVTAFQR DATA SEQUENCE TALRDYELSG VQIKKGQRVV MFYRSANFDE EVFQDPFTFN ILRNPNPHVG DATA SEQUENCE FGGTGAHYCI GANLARMTIN LIFNAVADHM PDLKPISAPE RLRSGWLNGI DATA SEQUENCE KHWQVDYTGR LPV 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.621 174.600 0.034 0.000 1.055 19 S CA 0.000 58.277 58.200 0.129 0.000 1.107 19 S CB 0.000 63.258 63.200 0.097 0.000 0.593 20 P HA 0.468 nan 4.420 nan 0.000 0.276 20 P C -1.107 176.079 177.300 -0.190 0.000 1.244 20 P CA -0.545 62.440 63.100 -0.193 0.000 0.801 20 P CB 0.543 31.968 31.700 -0.457 0.000 1.006 21 N N 1.658 120.241 118.700 -0.195 0.000 2.602 21 N HA 0.293 4.732 4.740 -0.502 0.000 0.238 21 N C -0.334 175.011 175.510 -0.275 0.000 1.084 21 N CA 0.065 53.005 53.050 -0.182 0.000 0.952 21 N CB 0.114 38.519 38.487 -0.137 0.000 1.244 21 N HN 0.361 nan 8.380 nan 0.000 0.512 22 L N 1.564 122.613 121.223 -0.291 0.000 2.350 22 L HA 0.579 4.618 4.340 -0.502 0.000 0.260 22 L C -2.149 174.586 176.870 -0.226 0.000 1.015 22 L CA -2.029 52.564 54.840 -0.411 0.000 0.821 22 L CB 1.902 43.609 42.059 -0.585 0.000 1.370 22 L HN 0.131 nan 8.230 nan 0.000 0.416 23 P HA 0.198 nan 4.420 nan 0.000 0.269 23 P C -2.556 174.770 177.300 0.044 0.000 1.215 23 P CA -1.005 62.060 63.100 -0.057 0.000 0.780 23 P CB -0.353 31.340 31.700 -0.010 0.000 0.898 24 P HA 0.065 nan 4.420 nan 0.000 0.261 24 P C 0.957 178.313 177.300 0.093 0.000 1.183 24 P CA 1.278 64.422 63.100 0.075 0.000 0.761 24 P CB -0.062 31.664 31.700 0.043 0.000 0.785 25 G N 2.665 111.538 108.800 0.121 0.000 2.155 25 G HA2 -0.310 3.349 3.960 -0.502 0.000 0.257 25 G HA3 -0.310 3.349 3.960 -0.502 0.000 0.257 25 G C 0.123 175.078 174.900 0.092 0.000 0.983 25 G CA -0.473 44.678 45.100 0.085 0.000 0.676 25 G HN 0.535 nan 8.290 nan 0.000 0.528 26 F N 1.681 121.627 119.950 -0.008 0.000 2.607 26 F HA 0.446 4.670 4.527 -0.505 0.000 0.374 26 F C 0.376 176.136 175.800 -0.067 0.000 1.104 26 F CA 0.339 58.270 58.000 -0.116 0.000 1.296 26 F CB 0.777 39.634 39.000 -0.238 0.000 1.085 26 F HN 0.103 nan 8.300 nan 0.000 0.584 27 D N 5.527 125.500 120.400 -0.711 0.000 2.549 27 D HA 0.138 4.477 4.640 -0.502 0.000 0.251 27 D C 0.163 176.201 176.300 -0.437 0.000 1.153 27 D CA -0.451 53.367 54.000 -0.304 0.000 0.861 27 D CB 0.581 41.308 40.800 -0.122 0.000 1.207 27 D HN 0.415 nan 8.370 nan 0.000 0.543 28 F N 1.297 121.271 119.950 0.040 0.000 2.641 28 F HA -0.053 4.171 4.527 -0.505 0.000 0.298 28 F C 2.347 178.377 175.800 0.383 0.000 1.146 28 F CA 1.184 59.229 58.000 0.075 0.000 1.464 28 F CB 0.152 39.125 39.000 -0.044 0.000 1.101 28 F HN 0.408 nan 8.300 nan 0.000 0.585 29 T N -4.169 110.718 114.554 0.556 0.000 3.105 29 T HA 0.042 4.091 4.350 -0.502 0.000 0.253 29 T C 0.338 175.218 174.700 0.300 0.000 1.047 29 T CA -0.388 61.982 62.100 0.450 0.000 0.944 29 T CB -0.366 68.683 68.868 0.302 0.000 1.016 29 T HN -0.065 nan 8.240 nan 0.000 0.544 30 D N 2.954 123.449 120.400 0.158 0.000 2.382 30 D HA 0.167 4.506 4.640 -0.502 0.000 0.259 30 D C -1.621 174.764 176.300 0.141 0.000 1.224 30 D CA -2.261 51.766 54.000 0.045 0.000 0.894 30 D CB 1.732 42.429 40.800 -0.171 0.000 1.127 30 D HN 0.053 nan 8.370 nan 0.000 0.487 31 P HA -0.053 nan 4.420 nan 0.000 0.222 31 P C 0.838 178.199 177.300 0.102 0.000 1.147 31 P CA 0.919 64.123 63.100 0.172 0.000 0.790 31 P CB 0.199 31.959 31.700 0.100 0.000 0.780 32 A N -0.794 122.036 122.820 0.017 0.000 2.015 32 A HA -0.139 3.880 4.320 -0.502 0.000 0.219 32 A C 2.111 179.641 177.584 -0.089 0.000 1.163 32 A CA 1.070 53.088 52.037 -0.030 0.000 0.646 32 A CB -1.432 17.537 19.000 -0.051 0.000 0.806 32 A HN 0.128 nan 8.150 nan 0.000 0.448 33 I N -1.917 118.548 120.570 -0.175 0.000 2.163 33 I HA -0.270 3.599 4.170 -0.502 0.000 0.240 33 I C 2.238 178.151 176.117 -0.340 0.000 1.081 33 I CA 1.493 62.581 61.300 -0.352 0.000 1.353 33 I CB -0.447 37.165 38.000 -0.646 0.000 1.054 33 I HN 0.394 nan 8.210 nan 0.000 0.407 34 Y N 0.619 120.884 120.300 -0.058 0.000 2.352 34 Y HA -0.081 4.164 4.550 -0.508 0.000 0.292 34 Y C 2.537 178.405 175.900 -0.053 0.000 1.136 34 Y CA 0.829 58.900 58.100 -0.049 0.000 1.227 34 Y CB -0.748 37.686 38.460 -0.043 0.000 0.991 34 Y HN 0.120 nan 8.280 nan 0.000 0.545 35 A N -0.042 122.818 122.820 0.067 0.000 2.076 35 A HA -0.180 3.839 4.320 -0.502 0.000 0.220 35 A C 1.901 179.482 177.584 -0.005 0.000 1.160 35 A CA 1.963 54.016 52.037 0.028 0.000 0.653 35 A CB -0.302 18.708 19.000 0.016 0.000 0.801 35 A HN 0.542 nan 8.150 nan 0.000 0.455 36 E N -1.756 118.420 120.200 -0.040 0.000 2.391 36 E HA 0.122 4.171 4.350 -0.502 0.000 0.206 36 E C 0.481 177.037 176.600 -0.073 0.000 0.851 36 E CA 0.254 56.621 56.400 -0.056 0.000 1.059 36 E CB 0.476 30.134 29.700 -0.070 0.000 1.065 36 E HN 0.760 nan 8.360 nan 0.000 0.512 37 R N -0.106 120.333 120.500 -0.103 0.000 2.741 37 R HA 0.365 4.403 4.340 -0.502 0.000 0.276 37 R C -1.681 174.533 176.300 -0.143 0.000 1.028 37 R CA -0.730 55.301 56.100 -0.115 0.000 0.865 37 R CB 0.478 30.700 30.300 -0.131 0.000 1.268 37 R HN -0.133 nan 8.270 nan 0.000 0.475 38 L N 1.759 122.924 121.223 -0.097 0.000 2.312 38 L HA 0.469 4.508 4.340 -0.502 0.000 0.281 38 L C -1.785 175.013 176.870 -0.120 0.000 1.070 38 L CA -2.063 52.750 54.840 -0.045 0.000 0.805 38 L CB 1.725 43.796 42.059 0.020 0.000 1.174 38 L HN 0.534 nan 8.230 nan 0.000 0.434 39 P HA 0.068 nan 4.420 nan 0.000 0.220 39 P C 0.889 178.085 177.300 -0.174 0.000 1.806 39 P CA -0.149 62.798 63.100 -0.255 0.000 0.976 39 P CB 0.505 31.979 31.700 -0.377 0.000 1.952 40 V N 1.878 121.762 119.914 -0.049 0.000 2.295 40 V HA -0.270 3.549 4.120 -0.502 0.000 0.246 40 V C 2.696 178.794 176.094 0.006 0.000 1.049 40 V CA 2.604 64.930 62.300 0.042 0.000 1.024 40 V CB -1.312 30.481 31.823 -0.049 0.000 0.648 40 V HN 0.314 nan 8.190 nan 0.000 0.447 41 A N -0.158 122.596 122.820 -0.110 0.000 1.933 41 A HA -0.243 3.776 4.320 -0.502 0.000 0.218 41 A C 2.108 179.607 177.584 -0.143 0.000 1.175 41 A CA 2.050 54.003 52.037 -0.140 0.000 0.628 41 A CB -0.464 18.428 19.000 -0.180 0.000 0.814 41 A HN 0.586 nan 8.150 nan 0.000 0.444 42 E N -0.729 119.340 120.200 -0.218 0.000 2.072 42 E HA -0.076 3.973 4.350 -0.502 0.000 0.191 42 E C 1.542 178.139 176.600 -0.006 0.000 0.985 42 E CA 1.160 57.404 56.400 -0.261 0.000 0.801 42 E CB -0.395 28.931 29.700 -0.622 0.000 0.750 42 E HN 0.638 nan 8.360 nan 0.000 0.452 43 F N 0.801 120.820 119.950 0.116 0.000 2.171 43 F HA -0.095 4.128 4.527 -0.506 0.000 0.300 43 F C 2.288 178.076 175.800 -0.020 0.000 1.090 43 F CA 1.011 58.992 58.000 -0.032 0.000 1.293 43 F CB -0.941 38.040 39.000 -0.031 0.000 1.013 43 F HN 0.033 nan 8.300 nan 0.000 0.486 44 A N -0.256 122.682 122.820 0.197 0.000 1.933 44 A HA -0.230 3.789 4.320 -0.502 0.000 0.218 44 A C 2.121 179.734 177.584 0.049 0.000 1.175 44 A CA 1.854 53.971 52.037 0.134 0.000 0.628 44 A CB -0.752 18.293 19.000 0.075 0.000 0.814 44 A HN 0.331 nan 8.150 nan 0.000 0.444 45 E N 0.433 120.622 120.200 -0.019 0.000 2.051 45 E HA -0.153 3.896 4.350 -0.502 0.000 0.192 45 E C 1.841 178.400 176.600 -0.068 0.000 0.991 45 E CA 1.470 57.824 56.400 -0.076 0.000 0.799 45 E CB -0.451 29.153 29.700 -0.161 0.000 0.748 45 E HN 0.577 nan 8.360 nan 0.000 0.449 46 L N 0.034 121.218 121.223 -0.066 0.000 2.017 46 L HA -0.144 3.895 4.340 -0.502 0.000 0.208 46 L C 2.785 179.669 176.870 0.025 0.000 1.073 46 L CA 1.640 56.445 54.840 -0.058 0.000 0.745 46 L CB -0.480 41.534 42.059 -0.074 0.000 0.894 46 L HN 0.151 nan 8.230 nan 0.000 0.432 47 R N -0.693 119.844 120.500 0.062 0.000 2.117 47 R HA -0.193 3.846 4.340 -0.502 0.000 0.243 47 R C 2.572 178.911 176.300 0.067 0.000 1.143 47 R CA 1.718 57.867 56.100 0.082 0.000 0.968 47 R CB -0.478 29.889 30.300 0.112 0.000 0.863 47 R HN 0.259 nan 8.270 nan 0.000 0.444 48 S N -0.512 115.217 115.700 0.049 0.000 2.357 48 S HA -0.043 4.126 4.470 -0.502 0.000 0.221 48 S C 1.734 176.351 174.600 0.029 0.000 1.031 48 S CA 1.306 59.528 58.200 0.037 0.000 0.982 48 S CB 0.114 63.326 63.200 0.019 0.000 0.853 48 S HN 0.466 nan 8.310 nan 0.000 0.458 49 A N -0.810 122.019 122.820 0.015 0.000 2.138 49 A HA 0.796 4.814 4.320 -0.502 0.000 0.203 49 A C 0.813 178.421 177.584 0.041 0.000 1.286 49 A CA 0.556 52.601 52.037 0.013 0.000 0.929 49 A CB 0.389 19.374 19.000 -0.025 0.000 0.975 49 A HN 0.847 nan 8.150 nan 0.000 0.480 50 A N 0.120 122.971 122.820 0.051 0.000 3.277 50 A HA 0.561 4.580 4.320 -0.502 0.000 0.281 50 A C -2.252 175.438 177.584 0.177 0.000 1.179 50 A CA -0.438 51.681 52.037 0.138 0.000 0.879 50 A CB 0.352 19.442 19.000 0.149 0.000 1.374 50 A HN 0.063 nan 8.150 nan 0.000 0.590 51 P HA 0.044 nan 4.420 nan 0.000 0.226 51 P C 0.225 177.641 177.300 0.193 0.000 1.153 51 P CA 0.884 64.068 63.100 0.140 0.000 0.777 51 P CB 0.319 32.079 31.700 0.101 0.000 0.794 52 I N -0.539 120.177 120.570 0.243 0.000 2.439 52 I HA 0.356 4.225 4.170 -0.502 0.000 0.283 52 I C -1.095 175.361 176.117 0.566 0.000 1.023 52 I CA -0.825 60.664 61.300 0.314 0.000 1.100 52 I CB 1.467 39.533 38.000 0.110 0.000 1.238 52 I HN -0.107 nan 8.210 nan 0.000 0.445 53 W N 8.543 130.126 121.300 0.472 0.000 2.883 53 W HA 0.363 4.722 4.660 -0.502 0.000 0.335 53 W C -1.247 175.537 176.519 0.442 0.000 1.083 53 W CA -1.085 56.533 57.345 0.456 0.000 1.233 53 W CB 1.431 31.041 29.460 0.251 0.000 1.412 53 W HN 0.444 nan 8.180 nan 0.000 0.490 54 W N 7.848 128.763 121.300 -0.642 0.000 2.419 54 W HA 0.185 4.545 4.660 -0.500 0.000 0.312 54 W C -0.784 174.757 176.519 -1.630 0.000 1.323 54 W CA -0.001 56.639 57.345 -1.175 0.000 1.293 54 W CB 0.672 29.403 29.460 -1.215 0.000 1.324 54 W HN 0.559 nan 8.180 nan 0.000 0.512 55 N N 4.661 122.210 118.700 -1.918 0.000 2.645 55 N HA 0.268 4.707 4.740 -0.502 0.000 0.233 55 N C 0.394 174.918 175.510 -1.644 0.000 1.058 55 N CA -0.245 51.781 53.050 -1.706 0.000 0.942 55 N CB 0.271 37.907 38.487 -1.418 0.000 1.210 55 N HN 0.489 nan 8.380 nan 0.000 0.512 56 G N 1.745 109.897 108.800 -1.079 0.000 2.491 56 G HA2 0.116 3.775 3.960 -0.502 0.000 0.242 56 G HA3 0.116 3.775 3.960 -0.502 0.000 0.242 56 G C -0.600 174.090 174.900 -0.350 0.000 1.266 56 G CA -0.129 44.651 45.100 -0.534 0.000 0.844 56 G HN 0.588 nan 8.290 nan 0.000 0.571 57 Q N 0.967 120.650 119.800 -0.195 0.000 2.292 57 Q HA 0.184 4.223 4.340 -0.502 0.000 0.270 57 Q C -1.210 174.784 176.000 -0.010 0.000 1.024 57 Q CA -0.915 54.837 55.803 -0.085 0.000 0.768 57 Q CB 2.324 31.035 28.738 -0.046 0.000 1.250 57 Q HN 0.520 nan 8.270 nan 0.000 0.447 58 D N 3.347 123.748 120.400 0.002 0.000 2.419 58 D HA 0.072 4.411 4.640 -0.502 0.000 0.236 58 D C -2.198 174.129 176.300 0.044 0.000 1.165 58 D CA -1.082 52.933 54.000 0.025 0.000 0.882 58 D CB 0.217 41.029 40.800 0.020 0.000 1.201 58 D HN 0.163 nan 8.370 nan 0.000 0.443 59 P HA 0.113 nan 4.420 nan 0.000 0.265 59 P C 0.860 178.214 177.300 0.090 0.000 1.193 59 P CA 0.486 63.640 63.100 0.089 0.000 0.765 59 P CB 0.537 32.284 31.700 0.078 0.000 0.823 60 G N 2.501 111.381 108.800 0.133 0.000 2.179 60 G HA2 -0.260 3.399 3.960 -0.502 0.000 0.260 60 G HA3 -0.260 3.399 3.960 -0.502 0.000 0.260 60 G C 0.617 175.558 174.900 0.069 0.000 0.977 60 G CA -0.041 45.134 45.100 0.125 0.000 0.641 60 G HN 0.557 nan 8.290 nan 0.000 0.533 61 K N 0.312 120.738 120.400 0.044 0.000 2.618 61 K HA 0.355 4.374 4.320 -0.502 0.000 0.207 61 K C 1.508 178.129 176.600 0.035 0.000 1.058 61 K CA 0.400 56.707 56.287 0.033 0.000 1.086 61 K CB 1.072 33.587 32.500 0.025 0.000 0.827 61 K HN 0.352 nan 8.250 nan 0.000 0.481 62 G N 0.335 109.139 108.800 0.007 0.000 3.434 62 G HA2 0.206 3.865 3.960 -0.502 0.000 0.258 62 G HA3 0.206 3.865 3.960 -0.502 0.000 0.258 62 G C 0.862 175.827 174.900 0.108 0.000 1.128 62 G CA 0.074 45.203 45.100 0.049 0.000 0.792 62 G HN 0.312 nan 8.290 nan 0.000 0.539 63 G N -0.503 108.342 108.800 0.076 0.000 2.283 63 G HA2 0.176 3.834 3.960 -0.502 0.000 0.280 63 G HA3 0.176 3.834 3.960 -0.502 0.000 0.280 63 G C 1.229 176.160 174.900 0.051 0.000 1.029 63 G CA 1.065 46.237 45.100 0.120 0.000 0.840 63 G HN 1.835 nan 8.290 nan 0.000 0.505 64 G N -2.627 106.080 108.800 -0.155 0.000 2.213 64 G HA2 -0.108 3.550 3.960 -0.502 0.000 0.226 64 G HA3 -0.108 3.550 3.960 -0.502 0.000 0.226 64 G C 0.213 174.644 174.900 -0.782 0.000 0.992 64 G CA 0.294 45.156 45.100 -0.398 0.000 0.632 64 G HN 1.175 nan 8.290 nan 0.000 0.511 65 F N 1.325 121.129 119.950 -0.244 0.000 2.450 65 F HA 0.670 4.895 4.527 -0.503 0.000 0.332 65 F C 0.870 176.404 175.800 -0.444 0.000 1.093 65 F CA -0.825 57.055 58.000 -0.201 0.000 1.003 65 F CB 1.339 40.317 39.000 -0.037 0.000 1.151 65 F HN 0.032 nan 8.300 nan 0.000 0.474 66 H N 1.908 121.098 119.070 0.199 0.000 2.534 66 H HA 0.164 4.420 4.556 -0.501 0.000 0.250 66 H C -0.293 175.118 175.328 0.138 0.000 1.256 66 H CA -0.070 56.054 56.048 0.126 0.000 1.000 66 H CB 0.125 29.928 29.762 0.068 0.000 1.801 66 H HN 0.620 nan 8.280 nan 0.000 0.569 67 D N -1.321 119.201 120.400 0.203 0.000 2.469 67 D HA 0.121 4.460 4.640 -0.502 0.000 0.213 67 D C 1.678 178.100 176.300 0.203 0.000 1.135 67 D CA 0.307 54.427 54.000 0.199 0.000 0.834 67 D CB 0.653 41.577 40.800 0.208 0.000 1.009 67 D HN 0.392 nan 8.370 nan 0.000 0.507 68 G N -0.867 108.031 108.800 0.164 0.000 2.195 68 G HA2 0.099 3.757 3.960 -0.502 0.000 0.246 68 G HA3 0.099 3.757 3.960 -0.502 0.000 0.246 68 G C 0.761 175.730 174.900 0.115 0.000 0.984 68 G CA 0.085 45.286 45.100 0.168 0.000 0.633 68 G HN 1.322 nan 8.290 nan 0.000 0.525 69 G N -1.246 107.533 108.800 -0.035 0.000 2.320 69 G HA2 0.658 4.317 3.960 -0.502 0.000 0.274 69 G HA3 0.658 4.317 3.960 -0.502 0.000 0.274 69 G C -0.657 173.769 174.900 -0.790 0.000 1.324 69 G CA 0.094 44.832 45.100 -0.602 0.000 0.957 69 G HN 1.890 nan 8.290 nan 0.000 0.481 70 F N -3.384 115.679 119.950 -1.479 0.000 2.741 70 F HA 0.751 4.977 4.527 -0.502 0.000 0.311 70 F C -1.708 173.577 175.800 -0.859 0.000 1.149 70 F CA -2.313 55.148 58.000 -0.898 0.000 0.930 70 F CB 0.685 39.467 39.000 -0.364 0.000 1.312 70 F HN 0.580 nan 8.300 nan 0.000 0.450 71 W N 2.180 123.562 121.300 0.136 0.000 2.335 71 W HA 0.694 5.052 4.660 -0.504 0.000 0.306 71 W C -0.021 176.752 176.519 0.425 0.000 1.216 71 W CA -0.551 56.934 57.345 0.233 0.000 1.237 71 W CB 1.495 31.133 29.460 0.297 0.000 1.243 71 W HN 0.817 nan 8.180 nan 0.000 0.493 72 A N 5.676 128.902 122.820 0.677 0.000 2.404 72 A HA 0.469 4.488 4.320 -0.502 0.000 0.273 72 A C -0.476 177.440 177.584 0.554 0.000 1.144 72 A CA -0.383 52.138 52.037 0.808 0.000 0.806 72 A CB -0.047 19.363 19.000 0.684 0.000 1.080 72 A HN 0.496 nan 8.150 nan 0.000 0.509 73 I N 3.790 124.620 120.570 0.432 0.000 2.339 73 I HA 0.295 4.164 4.170 -0.502 0.000 0.290 73 I C 1.211 177.452 176.117 0.207 0.000 0.994 73 I CA 0.056 61.486 61.300 0.217 0.000 1.191 73 I CB 0.960 38.979 38.000 0.033 0.000 1.343 73 I HN 0.799 nan 8.210 nan 0.000 0.458 74 T N 1.691 116.331 114.554 0.143 0.000 2.975 74 T HA 0.261 4.309 4.350 -0.502 0.000 0.261 74 T C 0.679 175.417 174.700 0.064 0.000 0.984 74 T CA -0.140 62.012 62.100 0.087 0.000 0.911 74 T CB 0.567 69.486 68.868 0.085 0.000 1.127 74 T HN 0.263 nan 8.240 nan 0.000 0.514 75 K N 1.182 121.623 120.400 0.069 0.000 2.138 75 K HA 0.476 4.494 4.320 -0.502 0.000 0.263 75 K C 0.729 177.365 176.600 0.060 0.000 0.965 75 K CA -0.667 55.660 56.287 0.068 0.000 0.868 75 K CB 2.528 35.065 32.500 0.061 0.000 1.083 75 K HN 0.046 nan 8.250 nan 0.000 0.443 76 L N 2.889 124.155 121.223 0.073 0.000 2.012 76 L HA -0.297 3.742 4.340 -0.502 0.000 0.210 76 L C 1.864 178.758 176.870 0.039 0.000 1.073 76 L CA 1.892 56.776 54.840 0.074 0.000 0.748 76 L CB -0.209 41.887 42.059 0.063 0.000 0.891 76 L HN 0.704 nan 8.230 nan 0.000 0.431 77 N N -1.026 117.687 118.700 0.021 0.000 2.149 77 N HA -0.244 4.195 4.740 -0.502 0.000 0.188 77 N C 1.336 176.859 175.510 0.023 0.000 1.019 77 N CA 1.989 55.049 53.050 0.016 0.000 0.857 77 N CB -0.982 37.514 38.487 0.014 0.000 0.997 77 N HN 0.359 nan 8.380 nan 0.000 0.426 78 D N 0.407 120.818 120.400 0.018 0.000 2.144 78 D HA -0.029 4.310 4.640 -0.502 0.000 0.200 78 D C 2.096 178.366 176.300 -0.049 0.000 0.978 78 D CA 0.600 54.595 54.000 -0.009 0.000 0.833 78 D CB -0.200 40.595 40.800 -0.008 0.000 0.961 78 D HN 0.119 nan 8.370 nan 0.000 0.470 79 V N 1.330 121.232 119.914 -0.020 0.000 2.287 79 V HA -0.260 3.558 4.120 -0.502 0.000 0.248 79 V C 2.351 178.452 176.094 0.013 0.000 1.053 79 V CA 1.657 63.948 62.300 -0.016 0.000 1.027 79 V CB -0.336 31.527 31.823 0.066 0.000 0.646 79 V HN 0.180 nan 8.190 nan 0.000 0.447 80 K N -0.359 120.062 120.400 0.035 0.000 2.097 80 K HA -0.235 3.784 4.320 -0.502 0.000 0.206 80 K C 2.231 178.846 176.600 0.025 0.000 1.049 80 K CA 1.735 58.043 56.287 0.034 0.000 0.933 80 K CB -0.163 32.351 32.500 0.023 0.000 0.717 80 K HN 0.568 nan 8.250 nan 0.000 0.442 81 E N 1.133 121.354 120.200 0.034 0.000 2.047 81 E HA -0.167 3.881 4.350 -0.502 0.000 0.191 81 E C 1.970 178.619 176.600 0.081 0.000 0.987 81 E CA 0.924 57.393 56.400 0.115 0.000 0.799 81 E CB 0.014 29.801 29.700 0.145 0.000 0.752 81 E HN 0.215 nan 8.360 nan 0.000 0.449 82 I N 0.711 121.184 120.570 -0.162 0.000 2.226 82 I HA -0.271 3.598 4.170 -0.502 0.000 0.245 82 I C 2.457 178.515 176.117 -0.098 0.000 1.100 82 I CA 1.010 62.049 61.300 -0.435 0.000 1.374 82 I CB -0.169 37.400 38.000 -0.719 0.000 1.057 82 I HN 0.081 nan 8.210 nan 0.000 0.413 83 S N 0.173 115.852 115.700 -0.035 0.000 2.382 83 S HA -0.227 3.942 4.470 -0.502 0.000 0.228 83 S C 2.047 176.668 174.600 0.035 0.000 1.027 83 S CA 1.358 59.584 58.200 0.043 0.000 0.991 83 S CB -0.363 62.892 63.200 0.091 0.000 0.823 83 S HN 0.406 nan 8.310 nan 0.000 0.469 84 R N 0.910 121.396 120.500 -0.024 0.000 2.073 84 R HA -0.052 3.987 4.340 -0.502 0.000 0.229 84 R C 0.390 176.573 176.300 -0.194 0.000 1.120 84 R CA 1.113 57.119 56.100 -0.156 0.000 0.967 84 R CB -0.137 29.984 30.300 -0.299 0.000 0.862 84 R HN 0.397 nan 8.270 nan 0.000 0.436 85 H N 0.758 119.893 119.070 0.108 0.000 2.680 85 H HA 0.136 4.390 4.556 -0.502 0.000 0.224 85 H C 0.398 175.801 175.328 0.125 0.000 1.866 85 H CA -0.073 56.048 56.048 0.122 0.000 1.302 85 H CB 1.019 30.863 29.762 0.138 0.000 1.709 85 H HN 0.193 nan 8.280 nan 0.000 0.537 86 S N 0.835 116.616 115.700 0.135 0.000 2.481 86 S HA -0.118 4.050 4.470 -0.502 0.000 0.231 86 S C 1.876 176.517 174.600 0.069 0.000 0.996 86 S CA 0.698 58.965 58.200 0.112 0.000 0.942 86 S CB 0.157 63.403 63.200 0.077 0.000 0.768 86 S HN 0.703 nan 8.310 nan 0.000 0.520 87 D N 0.776 121.211 120.400 0.059 0.000 2.219 87 D HA -0.054 4.285 4.640 -0.502 0.000 0.205 87 D C 1.663 177.938 176.300 -0.042 0.000 0.970 87 D CA 0.806 54.817 54.000 0.019 0.000 0.851 87 D CB -0.258 40.564 40.800 0.037 0.000 0.943 87 D HN 0.336 nan 8.370 nan 0.000 0.488 88 V N -0.531 119.318 119.914 -0.109 0.000 2.581 88 V HA 0.061 3.879 4.120 -0.502 0.000 0.240 88 V C 0.449 176.249 176.094 -0.491 0.000 1.054 88 V CA 0.439 62.517 62.300 -0.370 0.000 1.076 88 V CB -0.283 31.132 31.823 -0.679 0.000 0.748 88 V HN -0.043 nan 8.190 nan 0.000 0.474 89 F N 1.388 121.299 119.950 -0.065 0.000 2.303 89 F HA 0.482 4.709 4.527 -0.500 0.000 0.368 89 F C 0.656 176.431 175.800 -0.041 0.000 1.105 89 F CA -0.272 57.685 58.000 -0.072 0.000 1.153 89 F CB 0.935 39.867 39.000 -0.114 0.000 1.362 89 F HN -0.089 nan 8.300 nan 0.000 0.511 90 S N 1.396 117.150 115.700 0.090 0.000 2.565 90 S HA 0.245 4.414 4.470 -0.502 0.000 0.274 90 S C 1.115 175.732 174.600 0.027 0.000 1.309 90 S CA -0.458 57.781 58.200 0.065 0.000 1.043 90 S CB 1.073 64.315 63.200 0.071 0.000 0.939 90 S HN 0.568 nan 8.310 nan 0.000 0.504 91 S N 3.285 118.980 115.700 -0.008 0.000 2.421 91 S HA 0.006 4.174 4.470 -0.502 0.000 0.224 91 S C 1.324 175.905 174.600 -0.033 0.000 1.035 91 S CA 0.483 58.609 58.200 -0.123 0.000 0.953 91 S CB -0.585 62.407 63.200 -0.347 0.000 0.810 91 S HN 0.856 nan 8.310 nan 0.000 0.497 92 Y N 2.673 122.930 120.300 -0.073 0.000 2.181 92 Y HA -0.183 4.066 4.550 -0.502 0.000 0.288 92 Y C 2.371 178.244 175.900 -0.044 0.000 1.146 92 Y CA 2.012 60.079 58.100 -0.054 0.000 1.164 92 Y CB -0.229 38.221 38.460 -0.018 0.000 0.982 92 Y HN 0.191 nan 8.280 nan 0.000 0.515 93 E N 0.446 120.728 120.200 0.136 0.000 2.085 93 E HA -0.210 3.839 4.350 -0.502 0.000 0.194 93 E C 0.996 177.576 176.600 -0.034 0.000 0.994 93 E CA 1.982 58.432 56.400 0.082 0.000 0.801 93 E CB -0.192 29.577 29.700 0.114 0.000 0.743 93 E HN 0.443 nan 8.360 nan 0.000 0.453 94 N N -0.636 118.046 118.700 -0.030 0.000 2.194 94 N HA 0.207 4.646 4.740 -0.502 0.000 0.231 94 N C -0.233 175.308 175.510 0.051 0.000 1.247 94 N CA 0.640 53.721 53.050 0.050 0.000 0.884 94 N CB 1.203 39.697 38.487 0.010 0.000 1.146 94 N HN 0.239 nan 8.380 nan 0.000 0.516 95 G N 0.691 109.443 108.800 -0.080 0.000 2.877 95 G HA2 -0.282 3.377 3.960 -0.502 0.000 0.279 95 G HA3 -0.282 3.377 3.960 -0.502 0.000 0.279 95 G C 0.779 175.576 174.900 -0.172 0.000 1.431 95 G CA 0.070 45.104 45.100 -0.110 0.000 0.883 95 G HN 0.360 nan 8.290 nan 0.000 0.547 96 V N -2.140 117.605 119.914 -0.281 0.000 3.661 96 V HA 0.508 4.327 4.120 -0.502 0.000 0.271 96 V C 1.465 177.359 176.094 -0.334 0.000 1.315 96 V CA 0.834 62.895 62.300 -0.397 0.000 1.072 96 V CB -0.111 31.279 31.823 -0.721 0.000 0.830 96 V HN 0.684 nan 8.190 nan 0.000 0.443 97 I N 3.444 123.799 120.570 -0.360 0.000 2.416 97 I HA 0.270 4.139 4.170 -0.502 0.000 0.288 97 I C -1.341 174.524 176.117 -0.421 0.000 1.051 97 I CA -1.421 59.518 61.300 -0.601 0.000 1.375 97 I CB 1.834 39.262 38.000 -0.953 0.000 1.407 97 I HN 0.130 nan 8.210 nan 0.000 0.516 98 P HA 0.096 nan 4.420 nan 0.000 0.261 98 P C -0.028 177.220 177.300 -0.087 0.000 1.268 98 P CA 0.149 63.054 63.100 -0.325 0.000 0.833 98 P CB 0.441 31.865 31.700 -0.461 0.000 1.231 99 R N -0.281 120.104 120.500 -0.192 0.000 2.508 99 R HA 0.549 4.588 4.340 -0.502 0.000 0.283 99 R C -1.457 174.637 176.300 -0.343 0.000 1.120 99 R CA -0.276 55.794 56.100 -0.050 0.000 0.958 99 R CB 0.450 30.804 30.300 0.091 0.000 1.215 99 R HN -0.250 nan 8.270 nan 0.000 0.427 100 F N 1.371 121.392 119.950 0.118 0.000 2.712 100 F HA 0.639 4.867 4.527 -0.499 0.000 0.367 100 F C 0.761 176.596 175.800 0.057 0.000 1.132 100 F CA -0.645 57.402 58.000 0.078 0.000 1.066 100 F CB 0.448 39.436 39.000 -0.020 0.000 1.416 100 F HN 0.422 nan 8.300 nan 0.000 0.515 101 K N 0.465 121.029 120.400 0.273 0.000 2.524 101 K HA 0.041 4.060 4.320 -0.502 0.000 0.279 101 K C 0.537 177.207 176.600 0.117 0.000 0.993 101 K CA -0.013 56.366 56.287 0.154 0.000 1.030 101 K CB -0.648 31.926 32.500 0.124 0.000 0.891 101 K HN 0.637 nan 8.250 nan 0.000 0.488 102 N N 1.394 120.145 118.700 0.086 0.000 2.205 102 N HA -0.156 4.283 4.740 -0.502 0.000 0.186 102 N C 0.950 176.501 175.510 0.069 0.000 1.015 102 N CA 1.775 54.862 53.050 0.062 0.000 0.862 102 N CB 0.181 38.704 38.487 0.060 0.000 0.986 102 N HN 0.912 nan 8.380 nan 0.000 0.429 103 D N 0.056 120.494 120.400 0.064 0.000 2.325 103 D HA -0.013 4.326 4.640 -0.502 0.000 0.225 103 D C 0.766 177.080 176.300 0.024 0.000 1.096 103 D CA -0.369 53.663 54.000 0.054 0.000 0.844 103 D CB -0.497 40.328 40.800 0.041 0.000 0.925 103 D HN 0.245 nan 8.370 nan 0.000 0.513 104 I N 1.010 121.582 120.570 0.003 0.000 2.775 104 I HA 0.131 3.999 4.170 -0.502 0.000 0.290 104 I C 0.381 176.445 176.117 -0.088 0.000 1.203 104 I CA -0.322 60.938 61.300 -0.066 0.000 1.433 104 I CB 0.643 38.553 38.000 -0.151 0.000 1.354 104 I HN 0.059 nan 8.210 nan 0.000 0.579 105 A N 6.480 129.241 122.820 -0.099 0.000 2.407 105 A HA 0.151 4.170 4.320 -0.502 0.000 0.248 105 A C 1.142 178.637 177.584 -0.148 0.000 1.082 105 A CA -0.397 51.581 52.037 -0.098 0.000 0.785 105 A CB 0.711 19.664 19.000 -0.078 0.000 1.020 105 A HN 0.921 nan 8.150 nan 0.000 0.489 106 R N 0.934 121.360 120.500 -0.123 0.000 2.105 106 R HA -0.195 3.844 4.340 -0.502 0.000 0.239 106 R C 1.860 178.064 176.300 -0.160 0.000 1.135 106 R CA 2.530 58.545 56.100 -0.143 0.000 0.967 106 R CB -0.586 29.661 30.300 -0.088 0.000 0.861 106 R HN 0.935 nan 8.270 nan 0.000 0.442 107 E N -0.665 119.461 120.200 -0.124 0.000 2.204 107 E HA -0.196 3.853 4.350 -0.502 0.000 0.195 107 E C 0.795 177.312 176.600 -0.138 0.000 0.990 107 E CA 1.573 57.906 56.400 -0.112 0.000 0.821 107 E CB -0.227 29.433 29.700 -0.067 0.000 0.750 107 E HN 0.312 nan 8.360 nan 0.000 0.477 108 D N 0.692 120.987 120.400 -0.174 0.000 2.277 108 D HA 0.018 4.356 4.640 -0.502 0.000 0.208 108 D C 1.947 178.045 176.300 -0.336 0.000 0.962 108 D CA 0.608 54.485 54.000 -0.205 0.000 0.865 108 D CB 0.017 40.694 40.800 -0.205 0.000 0.939 108 D HN 0.337 nan 8.370 nan 0.000 0.510 109 I N 0.866 121.180 120.570 -0.427 0.000 2.286 109 I HA -0.171 3.697 4.170 -0.502 0.000 0.245 109 I C 2.044 177.998 176.117 -0.271 0.000 1.104 109 I CA 1.005 62.022 61.300 -0.471 0.000 1.397 109 I CB -0.135 37.590 38.000 -0.459 0.000 1.072 109 I HN -0.073 nan 8.210 nan 0.000 0.417 110 E N 0.573 120.626 120.200 -0.245 0.000 2.208 110 E HA -0.145 3.904 4.350 -0.502 0.000 0.193 110 E C 2.257 178.675 176.600 -0.302 0.000 0.988 110 E CA 1.361 57.596 56.400 -0.275 0.000 0.828 110 E CB -0.009 29.544 29.700 -0.245 0.000 0.763 110 E HN 0.508 nan 8.360 nan 0.000 0.478 111 V N -0.888 118.907 119.914 -0.199 0.000 2.759 111 V HA -0.232 3.586 4.120 -0.502 0.000 0.256 111 V C 1.820 177.859 176.094 -0.091 0.000 1.080 111 V CA 1.339 63.570 62.300 -0.115 0.000 1.101 111 V CB -0.613 31.267 31.823 0.095 0.000 0.698 111 V HN 0.145 nan 8.190 nan 0.000 0.477 112 Q N 0.566 120.298 119.800 -0.113 0.000 2.297 112 Q HA -0.157 3.881 4.340 -0.502 0.000 0.208 112 Q C 2.284 178.202 176.000 -0.138 0.000 0.981 112 Q CA 1.633 57.395 55.803 -0.068 0.000 0.876 112 Q CB -0.331 28.370 28.738 -0.061 0.000 0.921 112 Q HN 0.661 nan 8.270 nan 0.000 0.446 113 R N -0.474 119.848 120.500 -0.297 0.000 2.285 113 R HA -0.080 3.959 4.340 -0.502 0.000 0.213 113 R C 1.170 177.278 176.300 -0.320 0.000 1.068 113 R CA 0.642 56.546 56.100 -0.327 0.000 1.004 113 R CB -0.031 29.967 30.300 -0.503 0.000 0.873 113 R HN 0.194 nan 8.270 nan 0.000 0.467 114 F N 0.320 120.108 119.950 -0.271 0.000 2.604 114 F HA -0.028 4.197 4.527 -0.503 0.000 0.298 114 F C 1.206 176.762 175.800 -0.407 0.000 1.131 114 F CA 0.013 57.677 58.000 -0.560 0.000 1.457 114 F CB -0.147 38.112 39.000 -1.235 0.000 1.095 114 F HN -0.195 nan 8.300 nan 0.000 0.574 115 V N -1.071 118.860 119.914 0.028 0.000 2.617 115 V HA 0.210 4.029 4.120 -0.502 0.000 0.298 115 V C 1.224 177.398 176.094 0.132 0.000 1.048 115 V CA -0.891 61.489 62.300 0.133 0.000 0.964 115 V CB 1.661 33.580 31.823 0.159 0.000 1.004 115 V HN 0.354 nan 8.190 nan 0.000 0.466 116 M N 3.086 122.806 119.600 0.200 0.000 2.279 116 M HA -0.072 4.107 4.480 -0.502 0.000 0.264 116 M C 1.551 178.048 176.300 0.329 0.000 1.062 116 M CA 2.141 57.601 55.300 0.266 0.000 1.099 116 M CB -0.303 32.447 32.600 0.250 0.000 1.394 116 M HN 0.756 nan 8.290 nan 0.000 0.426 117 L N 1.726 123.060 121.223 0.185 0.000 2.191 117 L HA -0.107 3.932 4.340 -0.502 0.000 0.212 117 L C 1.035 177.817 176.870 -0.146 0.000 1.103 117 L CA 1.743 56.604 54.840 0.035 0.000 0.769 117 L CB -0.559 41.437 42.059 -0.105 0.000 0.908 117 L HN 0.433 nan 8.230 nan 0.000 0.438 118 N N -0.432 118.235 118.700 -0.056 0.000 2.321 118 N HA 0.213 4.652 4.740 -0.502 0.000 0.242 118 N C -0.453 175.103 175.510 0.077 0.000 1.141 118 N CA 0.134 53.130 53.050 -0.090 0.000 0.864 118 N CB 0.278 38.687 38.487 -0.129 0.000 1.100 118 N HN 0.391 nan 8.380 nan 0.000 0.510 119 M N 0.009 119.731 119.600 0.203 0.000 2.508 119 M HA 0.299 4.478 4.480 -0.502 0.000 0.327 119 M C -0.554 175.919 176.300 0.289 0.000 1.160 119 M CA -0.654 54.831 55.300 0.308 0.000 0.980 119 M CB 1.681 34.471 32.600 0.318 0.000 1.693 119 M HN -0.180 nan 8.290 nan 0.000 0.452 120 D N 0.799 121.322 120.400 0.205 0.000 2.440 120 D HA 0.558 4.897 4.640 -0.502 0.000 0.258 120 D C -0.383 175.982 176.300 0.108 0.000 1.092 120 D CA -0.293 53.784 54.000 0.127 0.000 1.016 120 D CB 1.208 42.031 40.800 0.039 0.000 1.141 120 D HN 0.685 nan 8.370 nan 0.000 0.552 121 A N 1.230 124.085 122.820 0.058 0.000 2.531 121 A HA 0.236 4.255 4.320 -0.502 0.000 0.236 121 A C -1.225 176.297 177.584 -0.104 0.000 1.062 121 A CA -0.484 51.554 52.037 0.001 0.000 0.760 121 A CB -0.098 18.900 19.000 -0.004 0.000 0.995 121 A HN 0.462 nan 8.150 nan 0.000 0.501 122 P HA -0.010 nan 4.420 nan 0.000 0.240 122 P C 0.584 177.764 177.300 -0.200 0.000 1.190 122 P CA 1.024 63.992 63.100 -0.219 0.000 0.781 122 P CB 0.001 31.523 31.700 -0.298 0.000 0.931 123 H N -1.074 117.998 119.070 0.003 0.000 2.357 123 H HA -0.125 4.129 4.556 -0.502 0.000 0.301 123 H C 2.459 177.809 175.328 0.036 0.000 1.082 123 H CA 1.568 57.626 56.048 0.016 0.000 1.342 123 H CB -0.629 29.141 29.762 0.013 0.000 1.389 123 H HN 0.256 nan 8.280 nan 0.000 0.511 124 H N 0.658 119.783 119.070 0.091 0.000 2.352 124 H HA -0.124 4.131 4.556 -0.502 0.000 0.299 124 H C 1.469 176.785 175.328 -0.019 0.000 1.097 124 H CA 1.926 57.998 56.048 0.040 0.000 1.311 124 H CB 0.054 29.815 29.762 -0.002 0.000 1.377 124 H HN 0.334 nan 8.280 nan 0.000 0.504 125 T N 1.038 115.542 114.554 -0.082 0.000 2.746 125 T HA -0.166 3.883 4.350 -0.502 0.000 0.267 125 T C 2.136 176.744 174.700 -0.153 0.000 1.039 125 T CA 1.586 63.613 62.100 -0.122 0.000 1.142 125 T CB -0.213 68.635 68.868 -0.033 0.000 0.866 125 T HN 0.405 nan 8.240 nan 0.000 0.444 126 R N 0.379 120.823 120.500 -0.094 0.000 2.073 126 R HA -0.039 4.000 4.340 -0.502 0.000 0.234 126 R C 2.314 178.565 176.300 -0.081 0.000 1.134 126 R CA 1.117 57.180 56.100 -0.062 0.000 0.952 126 R CB -0.496 29.796 30.300 -0.013 0.000 0.850 126 R HN 0.216 nan 8.270 nan 0.000 0.433 127 L N 1.242 122.406 121.223 -0.098 0.000 2.046 127 L HA -0.087 3.952 4.340 -0.502 0.000 0.208 127 L C 2.597 179.374 176.870 -0.154 0.000 1.077 127 L CA 1.790 56.577 54.840 -0.088 0.000 0.747 127 L CB -0.715 41.322 42.059 -0.037 0.000 0.896 127 L HN 0.161 nan 8.230 nan 0.000 0.432 128 R N -0.082 120.233 120.500 -0.308 0.000 2.081 128 R HA -0.182 3.857 4.340 -0.502 0.000 0.235 128 R C 2.362 178.580 176.300 -0.137 0.000 1.131 128 R CA 1.724 57.654 56.100 -0.283 0.000 0.960 128 R CB -0.405 29.599 30.300 -0.494 0.000 0.856 128 R HN 0.263 nan 8.270 nan 0.000 0.436 129 K N 0.058 120.385 120.400 -0.121 0.000 2.097 129 K HA -0.095 3.924 4.320 -0.502 0.000 0.205 129 K C 1.945 178.518 176.600 -0.046 0.000 1.050 129 K CA 1.620 57.868 56.287 -0.064 0.000 0.938 129 K CB -0.081 32.386 32.500 -0.055 0.000 0.718 129 K HN 0.271 nan 8.250 nan 0.000 0.442 130 I N 0.699 121.234 120.570 -0.058 0.000 2.233 130 I HA -0.237 3.631 4.170 -0.502 0.000 0.243 130 I C 2.188 178.267 176.117 -0.063 0.000 1.093 130 I CA 0.977 62.246 61.300 -0.051 0.000 1.380 130 I CB -0.087 37.882 38.000 -0.052 0.000 1.067 130 I HN 0.095 nan 8.210 nan 0.000 0.413 131 I N 0.613 121.128 120.570 -0.092 0.000 2.614 131 I HA -0.229 3.639 4.170 -0.502 0.000 0.258 131 I C 2.644 178.827 176.117 0.110 0.000 1.189 131 I CA 1.139 62.368 61.300 -0.118 0.000 1.462 131 I CB -0.258 37.628 38.000 -0.189 0.000 1.092 131 I HN 0.302 nan 8.210 nan 0.000 0.442 132 S N 1.127 116.880 115.700 0.087 0.000 2.419 132 S HA -0.212 3.957 4.470 -0.502 0.000 0.235 132 S C 2.036 176.738 174.600 0.170 0.000 1.019 132 S CA 0.832 59.124 58.200 0.153 0.000 0.982 132 S CB -0.469 62.770 63.200 0.064 0.000 0.789 132 S HN 0.423 nan 8.310 nan 0.000 0.490 133 R N 0.768 121.318 120.500 0.084 0.000 2.170 133 R HA -0.044 3.995 4.340 -0.502 0.000 0.242 133 R C 2.394 178.714 176.300 0.033 0.000 1.145 133 R CA 1.248 57.375 56.100 0.044 0.000 0.984 133 R CB -0.821 29.480 30.300 0.001 0.000 0.869 133 R HN 0.621 nan 8.270 nan 0.000 0.455 134 G N -1.114 107.713 108.800 0.044 0.000 2.880 134 G HA2 -0.064 3.595 3.960 -0.502 0.000 0.209 134 G HA3 -0.064 3.595 3.960 -0.502 0.000 0.209 134 G C 0.500 175.141 174.900 -0.432 0.000 1.157 134 G CA -0.058 44.936 45.100 -0.177 0.000 0.779 134 G HN 0.189 nan 8.290 nan 0.000 0.539 135 F N 1.458 121.448 119.950 0.067 0.000 2.814 135 F HA 0.229 4.454 4.527 -0.504 0.000 0.326 135 F C 1.266 177.094 175.800 0.047 0.000 1.159 135 F CA -0.817 57.224 58.000 0.068 0.000 1.234 135 F CB 0.111 39.155 39.000 0.073 0.000 1.016 135 F HN -0.051 nan 8.300 nan 0.000 0.510 136 T N -2.616 112.015 114.554 0.127 0.000 2.802 136 T HA 0.115 4.163 4.350 -0.502 0.000 0.305 136 T C -1.565 173.182 174.700 0.078 0.000 1.053 136 T CA -1.254 60.901 62.100 0.091 0.000 1.058 136 T CB 1.073 69.973 68.868 0.053 0.000 0.988 136 T HN -0.137 nan 8.240 nan 0.000 0.539 137 P HA -0.152 nan 4.420 nan 0.000 0.215 137 P C 2.029 179.356 177.300 0.044 0.000 1.157 137 P CA 0.932 64.064 63.100 0.055 0.000 0.874 137 P CB -0.065 31.659 31.700 0.041 0.000 0.790 138 R N -0.327 120.194 120.500 0.034 0.000 2.073 138 R HA -0.093 3.946 4.340 -0.502 0.000 0.234 138 R C 2.225 178.540 176.300 0.025 0.000 1.134 138 R CA 1.765 57.880 56.100 0.026 0.000 0.952 138 R CB -1.731 28.580 30.300 0.018 0.000 0.850 138 R HN 0.237 nan 8.270 nan 0.000 0.433 139 A N -0.208 122.622 122.820 0.018 0.000 1.877 139 A HA -0.028 3.991 4.320 -0.502 0.000 0.216 139 A C 2.512 180.099 177.584 0.005 0.000 1.186 139 A CA 1.828 53.862 52.037 -0.005 0.000 0.620 139 A CB -0.666 18.308 19.000 -0.044 0.000 0.822 139 A HN 0.390 nan 8.150 nan 0.000 0.443 140 V N -0.156 119.777 119.914 0.032 0.000 2.358 140 V HA -0.135 3.683 4.120 -0.502 0.000 0.246 140 V C 2.772 178.916 176.094 0.083 0.000 1.047 140 V CA 1.869 64.207 62.300 0.064 0.000 1.035 140 V CB -1.331 30.557 31.823 0.107 0.000 0.658 140 V HN 0.610 nan 8.190 nan 0.000 0.452 141 G N -0.498 108.346 108.800 0.074 0.000 2.443 141 G HA2 -0.202 3.457 3.960 -0.502 0.000 0.219 141 G HA3 -0.202 3.457 3.960 -0.502 0.000 0.219 141 G C 1.698 176.653 174.900 0.093 0.000 1.131 141 G CA 0.252 45.402 45.100 0.082 0.000 0.775 141 G HN 0.409 nan 8.290 nan 0.000 0.547 142 R N -0.401 120.139 120.500 0.066 0.000 2.241 142 R HA 0.111 4.150 4.340 -0.502 0.000 0.224 142 R C 2.071 178.417 176.300 0.075 0.000 1.101 142 R CA 0.473 56.610 56.100 0.061 0.000 0.995 142 R CB -0.199 30.124 30.300 0.037 0.000 0.870 142 R HN 0.373 nan 8.270 nan 0.000 0.463 143 L N -0.761 120.513 121.223 0.085 0.000 2.446 143 L HA -0.039 4.000 4.340 -0.502 0.000 0.219 143 L C 2.438 179.364 176.870 0.092 0.000 1.116 143 L CA 0.253 55.139 54.840 0.077 0.000 0.844 143 L CB -0.553 41.545 42.059 0.066 0.000 0.970 143 L HN 0.297 nan 8.230 nan 0.000 0.457 144 H N 1.505 120.602 119.070 0.045 0.000 2.265 144 H HA -0.230 4.024 4.556 -0.503 0.000 0.295 144 H C 1.372 176.728 175.328 0.046 0.000 1.084 144 H CA 2.469 58.547 56.048 0.051 0.000 1.261 144 H CB 0.213 30.005 29.762 0.050 0.000 1.360 144 H HN 0.285 nan 8.280 nan 0.000 0.487 145 D N 0.209 120.688 120.400 0.131 0.000 2.117 145 D HA -0.144 4.194 4.640 -0.502 0.000 0.197 145 D C 2.271 178.559 176.300 -0.020 0.000 0.987 145 D CA 1.281 55.323 54.000 0.070 0.000 0.829 145 D CB -0.402 40.477 40.800 0.132 0.000 0.961 145 D HN 0.618 nan 8.370 nan 0.000 0.460 146 E N 0.264 120.464 120.200 0.001 0.000 2.051 146 E HA -0.131 3.917 4.350 -0.502 0.000 0.192 146 E C 2.194 178.775 176.600 -0.032 0.000 0.991 146 E CA 0.609 57.006 56.400 -0.005 0.000 0.799 146 E CB -0.110 29.599 29.700 0.016 0.000 0.748 146 E HN 0.206 nan 8.360 nan 0.000 0.449 147 L N 0.633 121.824 121.223 -0.053 0.000 2.083 147 L HA -0.206 3.833 4.340 -0.502 0.000 0.209 147 L C 2.888 179.697 176.870 -0.101 0.000 1.083 147 L CA 1.460 56.262 54.840 -0.064 0.000 0.752 147 L CB -0.466 41.563 42.059 -0.049 0.000 0.899 147 L HN 0.326 nan 8.230 nan 0.000 0.433 148 Q N 0.478 120.168 119.800 -0.182 0.000 2.046 148 Q HA -0.233 3.805 4.340 -0.502 0.000 0.200 148 Q C 2.024 177.986 176.000 -0.063 0.000 0.975 148 Q CA 1.698 57.406 55.803 -0.159 0.000 0.836 148 Q CB 0.094 28.683 28.738 -0.250 0.000 0.896 148 Q HN 0.501 nan 8.270 nan 0.000 0.428 149 E N 0.052 120.222 120.200 -0.050 0.000 2.058 149 E HA -0.201 3.848 4.350 -0.502 0.000 0.194 149 E C 2.169 178.749 176.600 -0.034 0.000 0.997 149 E CA 1.326 57.712 56.400 -0.023 0.000 0.801 149 E CB -0.029 29.664 29.700 -0.012 0.000 0.746 149 E HN 0.286 nan 8.360 nan 0.000 0.450 150 R N 0.407 120.884 120.500 -0.038 0.000 2.081 150 R HA -0.109 3.930 4.340 -0.502 0.000 0.235 150 R C 2.423 178.683 176.300 -0.066 0.000 1.131 150 R CA 1.125 57.198 56.100 -0.045 0.000 0.960 150 R CB -0.395 29.887 30.300 -0.029 0.000 0.856 150 R HN 0.136 nan 8.270 nan 0.000 0.436 151 A N 1.179 123.963 122.820 -0.061 0.000 1.908 151 A HA -0.211 3.808 4.320 -0.502 0.000 0.218 151 A C 2.103 179.643 177.584 -0.073 0.000 1.181 151 A CA 1.235 53.232 52.037 -0.066 0.000 0.627 151 A CB -0.348 18.632 19.000 -0.033 0.000 0.818 151 A HN 0.224 nan 8.150 nan 0.000 0.445 152 Q N -0.455 119.320 119.800 -0.042 0.000 2.061 152 Q HA -0.203 3.836 4.340 -0.502 0.000 0.204 152 Q C 2.119 177.981 176.000 -0.230 0.000 0.984 152 Q CA 1.984 57.761 55.803 -0.042 0.000 0.846 152 Q CB -0.359 28.410 28.738 0.051 0.000 0.902 152 Q HN 0.805 nan 8.270 nan 0.000 0.421 153 K N 0.447 120.750 120.400 -0.163 0.000 2.097 153 K HA -0.060 3.959 4.320 -0.502 0.000 0.205 153 K C 2.150 178.620 176.600 -0.217 0.000 1.050 153 K CA 0.529 56.704 56.287 -0.187 0.000 0.938 153 K CB -0.047 32.386 32.500 -0.110 0.000 0.718 153 K HN 0.078 nan 8.250 nan 0.000 0.442 154 I N 0.930 121.385 120.570 -0.192 0.000 2.179 154 I HA -0.284 3.584 4.170 -0.502 0.000 0.242 154 I C 2.419 178.365 176.117 -0.284 0.000 1.088 154 I CA 1.410 62.583 61.300 -0.212 0.000 1.357 154 I CB -0.271 37.614 38.000 -0.192 0.000 1.051 154 I HN 0.249 nan 8.210 nan 0.000 0.409 155 A N 0.398 123.043 122.820 -0.291 0.000 1.897 155 A HA -0.075 3.944 4.320 -0.502 0.000 0.215 155 A C 2.520 179.878 177.584 -0.376 0.000 1.181 155 A CA 1.540 53.397 52.037 -0.299 0.000 0.620 155 A CB -0.831 18.095 19.000 -0.123 0.000 0.821 155 A HN 0.415 nan 8.150 nan 0.000 0.443 156 A N -0.084 122.373 122.820 -0.605 0.000 1.908 156 A HA -0.203 3.816 4.320 -0.502 0.000 0.218 156 A C 1.936 179.364 177.584 -0.260 0.000 1.181 156 A CA 1.766 53.505 52.037 -0.496 0.000 0.627 156 A CB -0.534 18.142 19.000 -0.540 0.000 0.818 156 A HN 0.630 nan 8.150 nan 0.000 0.445 157 E N -0.507 119.545 120.200 -0.246 0.000 2.106 157 E HA -0.040 4.008 4.350 -0.502 0.000 0.192 157 E C 2.331 178.813 176.600 -0.196 0.000 0.984 157 E CA 0.758 57.054 56.400 -0.173 0.000 0.806 157 E CB -0.237 29.373 29.700 -0.150 0.000 0.750 157 E HN 0.625 nan 8.360 nan 0.000 0.458 158 A N 1.581 124.209 122.820 -0.319 0.000 1.855 158 A HA -0.110 3.908 4.320 -0.502 0.000 0.215 158 A C 2.425 179.714 177.584 -0.492 0.000 1.191 158 A CA 1.660 53.388 52.037 -0.515 0.000 0.613 158 A CB -0.767 17.699 19.000 -0.889 0.000 0.829 158 A HN 0.292 nan 8.150 nan 0.000 0.442 159 A N -0.089 122.498 122.820 -0.388 0.000 1.917 159 A HA 0.071 4.090 4.320 -0.502 0.000 0.219 159 A C 2.476 180.073 177.584 0.022 0.000 1.182 159 A CA 2.338 54.313 52.037 -0.103 0.000 0.633 159 A CB -1.041 17.959 19.000 -0.001 0.000 0.819 159 A HN 1.161 nan 8.150 nan 0.000 0.448 160 A N -0.401 122.405 122.820 -0.025 0.000 2.019 160 A HA 0.207 4.226 4.320 -0.502 0.000 0.219 160 A C 2.342 179.948 177.584 0.037 0.000 1.164 160 A CA 1.765 53.808 52.037 0.009 0.000 0.644 160 A CB -0.793 18.197 19.000 -0.017 0.000 0.805 160 A HN 1.122 nan 8.150 nan 0.000 0.449 161 A N -1.901 120.948 122.820 0.048 0.000 2.172 161 A HA 0.343 4.362 4.320 -0.502 0.000 0.216 161 A C 2.181 179.849 177.584 0.141 0.000 1.154 161 A CA 1.475 53.565 52.037 0.089 0.000 0.701 161 A CB -0.913 18.150 19.000 0.105 0.000 0.789 161 A HN 1.838 nan 8.150 nan 0.000 0.465 162 G N -0.900 108.020 108.800 0.199 0.000 4.526 162 G HA2 -0.263 3.396 3.960 -0.502 0.000 0.217 162 G HA3 -0.263 3.396 3.960 -0.502 0.000 0.217 162 G C 0.581 175.554 174.900 0.122 0.000 1.428 162 G CA 0.907 46.097 45.100 0.150 0.000 0.928 162 G HN 2.087 nan 8.290 nan 0.000 0.639 163 S N -0.733 114.982 115.700 0.024 0.000 2.579 163 S HA 0.952 5.121 4.470 -0.502 0.000 0.272 163 S C -0.154 174.361 174.600 -0.142 0.000 1.141 163 S CA 0.544 58.567 58.200 -0.295 0.000 0.843 163 S CB 2.064 65.126 63.200 -0.230 0.000 1.122 163 S HN 2.525 nan 8.310 nan 0.000 0.468 164 G N 0.286 108.906 108.800 -0.300 0.000 2.321 164 G HA2 0.384 4.043 3.960 -0.502 0.000 0.296 164 G HA3 0.384 4.043 3.960 -0.502 0.000 0.296 164 G C -2.215 172.668 174.900 -0.028 0.000 1.287 164 G CA -0.589 44.491 45.100 -0.033 0.000 0.846 164 G HN 0.801 nan 8.290 nan 0.000 0.508 165 D N -0.132 120.329 120.400 0.100 0.000 2.352 165 D HA 0.293 4.631 4.640 -0.502 0.000 0.245 165 D C 1.109 177.572 176.300 0.272 0.000 1.224 165 D CA -0.702 53.402 54.000 0.173 0.000 0.879 165 D CB 0.508 41.433 40.800 0.209 0.000 1.057 165 D HN 0.225 nan 8.370 nan 0.000 0.491 166 F N 3.828 123.858 119.950 0.133 0.000 2.154 166 F HA -0.251 3.995 4.527 -0.468 0.000 0.301 166 F C 1.761 177.676 175.800 0.192 0.000 1.087 166 F CA 1.268 59.395 58.000 0.211 0.000 1.274 166 F CB 0.215 39.309 39.000 0.157 0.000 1.009 166 F HN 0.301 nan 8.300 nan 0.000 0.485 167 V N 0.389 120.564 119.914 0.434 0.000 2.261 167 V HA -0.310 3.509 4.120 -0.502 0.000 0.246 167 V C 2.174 178.324 176.094 0.093 0.000 1.047 167 V CA 2.437 64.897 62.300 0.266 0.000 1.015 167 V CB -0.718 31.229 31.823 0.206 0.000 0.642 167 V HN 0.354 nan 8.190 nan 0.000 0.446 168 E N -0.370 119.899 120.200 0.115 0.000 2.072 168 E HA -0.193 3.856 4.350 -0.502 0.000 0.190 168 E C 2.234 178.821 176.600 -0.020 0.000 0.982 168 E CA 1.080 57.515 56.400 0.058 0.000 0.803 168 E CB -0.093 29.678 29.700 0.118 0.000 0.755 168 E HN 0.657 nan 8.360 nan 0.000 0.453 169 Q N -0.254 119.525 119.800 -0.035 0.000 2.402 169 Q HA 0.032 4.071 4.340 -0.502 0.000 0.206 169 Q C 1.594 177.418 176.000 -0.293 0.000 0.919 169 Q CA 0.451 56.183 55.803 -0.118 0.000 0.923 169 Q CB 1.050 29.762 28.738 -0.045 0.000 1.048 169 Q HN 0.120 nan 8.270 nan 0.000 0.515 170 V N -1.626 118.028 119.914 -0.434 0.000 3.058 170 V HA 0.008 3.827 4.120 -0.502 0.000 0.233 170 V C 1.654 177.468 176.094 -0.466 0.000 1.255 170 V CA 0.676 62.587 62.300 -0.648 0.000 1.267 170 V CB 0.682 31.692 31.823 -1.355 0.000 1.049 170 V HN 0.052 nan 8.190 nan 0.000 0.486 171 S N -0.536 114.954 115.700 -0.350 0.000 2.414 171 S HA -0.159 4.010 4.470 -0.502 0.000 0.227 171 S C 1.870 176.407 174.600 -0.105 0.000 1.022 171 S CA 1.353 59.477 58.200 -0.126 0.000 0.958 171 S CB -0.283 62.963 63.200 0.077 0.000 0.797 171 S HN 0.639 nan 8.310 nan 0.000 0.493 172 C N 1.920 121.151 119.300 -0.116 0.000 2.476 172 C HA 0.029 4.188 4.460 -0.502 0.000 0.278 172 C C 2.629 177.506 174.990 -0.188 0.000 1.274 172 C CA 0.956 59.900 59.018 -0.124 0.000 1.713 172 C CB -0.945 26.736 27.740 -0.098 0.000 2.039 172 C HN 0.684 nan 8.230 nan 0.000 0.484 173 E N -0.410 119.677 120.200 -0.189 0.000 2.076 173 E HA -0.160 3.889 4.350 -0.502 0.000 0.190 173 E C 2.031 178.490 176.600 -0.235 0.000 0.979 173 E CA 0.847 57.109 56.400 -0.229 0.000 0.807 173 E CB -0.196 29.420 29.700 -0.140 0.000 0.761 173 E HN 0.532 nan 8.360 nan 0.000 0.454 174 L N 1.063 122.189 121.223 -0.161 0.000 2.046 174 L HA -0.085 3.954 4.340 -0.502 0.000 0.208 174 L C -1.088 175.713 176.870 -0.114 0.000 1.077 174 L CA 1.770 56.541 54.840 -0.115 0.000 0.747 174 L CB -0.898 41.114 42.059 -0.078 0.000 0.896 174 L HN 0.120 nan 8.230 nan 0.000 0.432 175 P HA -0.165 nan 4.420 nan 0.000 0.216 175 P C 2.071 179.270 177.300 -0.168 0.000 1.150 175 P CA 1.441 64.487 63.100 -0.091 0.000 0.837 175 P CB 0.008 31.663 31.700 -0.075 0.000 0.786 176 L N -0.939 120.065 121.223 -0.365 0.000 2.046 176 L HA -0.204 3.835 4.340 -0.502 0.000 0.208 176 L C 2.588 179.207 176.870 -0.418 0.000 1.077 176 L CA 1.414 55.848 54.840 -0.678 0.000 0.747 176 L CB -0.981 40.124 42.059 -1.589 0.000 0.896 176 L HN -0.014 nan 8.230 nan 0.000 0.432 177 Q N -0.335 119.317 119.800 -0.247 0.000 2.224 177 Q HA -0.115 3.924 4.340 -0.502 0.000 0.203 177 Q C 2.386 178.418 176.000 0.055 0.000 0.970 177 Q CA 1.453 57.291 55.803 0.059 0.000 0.865 177 Q CB -0.260 28.507 28.738 0.049 0.000 0.922 177 Q HN 0.549 nan 8.270 nan 0.000 0.445 178 A N 0.817 123.641 122.820 0.007 0.000 1.898 178 A HA -0.125 3.893 4.320 -0.502 0.000 0.216 178 A C 2.143 179.764 177.584 0.062 0.000 1.181 178 A CA 0.912 52.973 52.037 0.040 0.000 0.620 178 A CB -0.524 18.503 19.000 0.044 0.000 0.819 178 A HN 0.278 nan 8.150 nan 0.000 0.442 179 I N -0.263 120.338 120.570 0.052 0.000 2.202 179 I HA -0.252 3.617 4.170 -0.502 0.000 0.242 179 I C 2.992 179.180 176.117 0.119 0.000 1.091 179 I CA 1.031 62.376 61.300 0.075 0.000 1.368 179 I CB -0.353 37.678 38.000 0.051 0.000 1.058 179 I HN 0.340 nan 8.210 nan 0.000 0.410 180 A N 0.905 123.835 122.820 0.183 0.000 1.908 180 A HA -0.165 3.854 4.320 -0.502 0.000 0.218 180 A C 2.422 180.088 177.584 0.137 0.000 1.181 180 A CA 2.111 54.270 52.037 0.205 0.000 0.627 180 A CB -1.497 17.682 19.000 0.297 0.000 0.818 180 A HN 0.477 nan 8.150 nan 0.000 0.445 181 G N -0.440 108.427 108.800 0.111 0.000 2.404 181 G HA2 -0.096 3.563 3.960 -0.502 0.000 0.215 181 G HA3 -0.096 3.563 3.960 -0.502 0.000 0.215 181 G C 1.492 176.433 174.900 0.068 0.000 1.174 181 G CA 1.068 46.216 45.100 0.079 0.000 0.780 181 G HN 0.478 nan 8.290 nan 0.000 0.537 182 L N 0.420 121.679 121.223 0.060 0.000 2.043 182 L HA 0.011 4.050 4.340 -0.502 0.000 0.212 182 L C 2.495 179.409 176.870 0.073 0.000 1.075 182 L CA 1.559 56.415 54.840 0.027 0.000 0.752 182 L CB -0.266 41.788 42.059 -0.008 0.000 0.891 182 L HN 0.203 nan 8.230 nan 0.000 0.432 183 L N -0.609 120.690 121.223 0.125 0.000 2.554 183 L HA 0.203 4.242 4.340 -0.502 0.000 0.226 183 L C 1.344 178.316 176.870 0.171 0.000 1.137 183 L CA 0.438 55.398 54.840 0.199 0.000 0.863 183 L CB -0.785 41.417 42.059 0.240 0.000 0.985 183 L HN 0.533 nan 8.230 nan 0.000 0.451 184 G N 1.063 109.935 108.800 0.120 0.000 2.295 184 G HA2 -0.243 3.416 3.960 -0.502 0.000 0.287 184 G HA3 -0.243 3.416 3.960 -0.502 0.000 0.287 184 G C 0.098 175.066 174.900 0.114 0.000 1.055 184 G CA 0.049 45.207 45.100 0.095 0.000 0.922 184 G HN 0.113 nan 8.290 nan 0.000 0.503 185 V N 1.243 121.238 119.914 0.136 0.000 2.508 185 V HA 0.267 4.086 4.120 -0.502 0.000 0.281 185 V C -1.016 175.129 176.094 0.085 0.000 1.041 185 V CA -1.139 61.255 62.300 0.157 0.000 1.016 185 V CB 1.088 33.001 31.823 0.149 0.000 0.984 185 V HN 0.243 nan 8.190 nan 0.000 0.478 186 P HA -0.003 nan 4.420 nan 0.000 0.266 186 P C 0.568 177.860 177.300 -0.014 0.000 1.193 186 P CA 0.078 63.203 63.100 0.041 0.000 0.770 186 P CB 0.526 32.262 31.700 0.059 0.000 0.836 187 Q N 3.461 123.244 119.800 -0.028 0.000 2.112 187 Q HA -0.253 3.786 4.340 -0.502 0.000 0.206 187 Q C 1.655 177.590 176.000 -0.109 0.000 0.987 187 Q CA 2.067 57.830 55.803 -0.067 0.000 0.858 187 Q CB -0.590 28.122 28.738 -0.043 0.000 0.905 187 Q HN 0.549 nan 8.270 nan 0.000 0.420 188 E N -0.860 119.295 120.200 -0.075 0.000 2.338 188 E HA -0.167 3.882 4.350 -0.502 0.000 0.197 188 E C 0.326 176.849 176.600 -0.129 0.000 1.007 188 E CA 1.273 57.621 56.400 -0.086 0.000 0.849 188 E CB -0.051 29.623 29.700 -0.043 0.000 0.774 188 E HN 0.412 nan 8.360 nan 0.000 0.506 189 D N 0.701 121.017 120.400 -0.139 0.000 2.360 189 D HA 0.105 4.444 4.640 -0.502 0.000 0.210 189 D C 1.704 177.753 176.300 -0.418 0.000 1.047 189 D CA -0.005 53.866 54.000 -0.215 0.000 0.854 189 D CB 0.083 40.853 40.800 -0.050 0.000 0.936 189 D HN 0.179 nan 8.370 nan 0.000 0.514 190 R N 0.443 120.665 120.500 -0.464 0.000 2.092 190 R HA -0.001 4.038 4.340 -0.502 0.000 0.231 190 R C 2.267 177.869 176.300 -1.164 0.000 1.119 190 R CA 1.204 56.775 56.100 -0.881 0.000 0.970 190 R CB -0.388 29.378 30.300 -0.890 0.000 0.864 190 R HN 0.096 nan 8.270 nan 0.000 0.440 191 G N 2.681 111.060 108.800 -0.702 0.000 2.476 191 G HA2 -0.350 3.309 3.960 -0.502 0.000 0.218 191 G HA3 -0.350 3.309 3.960 -0.502 0.000 0.218 191 G C 1.350 175.977 174.900 -0.454 0.000 1.164 191 G CA 1.350 46.148 45.100 -0.504 0.000 0.768 191 G HN 0.414 nan 8.290 nan 0.000 0.560 192 K N -0.014 120.060 120.400 -0.543 0.000 2.103 192 K HA 0.139 4.158 4.320 -0.502 0.000 0.204 192 K C 2.416 178.294 176.600 -1.203 0.000 1.052 192 K CA 1.107 56.885 56.287 -0.849 0.000 0.945 192 K CB -0.426 31.507 32.500 -0.944 0.000 0.722 192 K HN 0.283 nan 8.250 nan 0.000 0.443 193 L N 0.784 121.488 121.223 -0.865 0.000 2.012 193 L HA -0.124 3.915 4.340 -0.502 0.000 0.210 193 L C 2.098 178.953 176.870 -0.026 0.000 1.073 193 L CA 1.584 56.191 54.840 -0.388 0.000 0.748 193 L CB -0.343 41.566 42.059 -0.250 0.000 0.891 193 L HN 0.096 nan 8.230 nan 0.000 0.431 194 F N -0.896 118.878 119.950 -0.294 0.000 2.206 194 F HA -0.133 4.096 4.527 -0.496 0.000 0.298 194 F C 2.718 178.370 175.800 -0.246 0.000 1.090 194 F CA 0.939 58.791 58.000 -0.246 0.000 1.323 194 F CB -1.422 37.394 39.000 -0.307 0.000 1.028 194 F HN 0.245 nan 8.300 nan 0.000 0.492 195 H N -1.275 117.766 119.070 -0.047 0.000 2.321 195 H HA -0.183 4.073 4.556 -0.501 0.000 0.300 195 H C 2.228 177.576 175.328 0.032 0.000 1.087 195 H CA 1.703 57.707 56.048 -0.074 0.000 1.319 195 H CB -0.545 29.100 29.762 -0.196 0.000 1.379 195 H HN 0.222 nan 8.280 nan 0.000 0.501 196 W N 1.134 122.509 121.300 0.126 0.000 2.358 196 W HA -0.091 4.267 4.660 -0.503 0.000 0.303 196 W C 2.668 179.213 176.519 0.043 0.000 1.208 196 W CA 0.853 58.235 57.345 0.061 0.000 1.274 196 W CB -1.220 28.253 29.460 0.022 0.000 1.138 196 W HN 0.083 nan 8.180 nan 0.000 0.515 197 S N 0.453 116.312 115.700 0.265 0.000 2.383 197 S HA -0.148 4.021 4.470 -0.502 0.000 0.227 197 S C 1.490 176.135 174.600 0.075 0.000 1.026 197 S CA 1.199 59.488 58.200 0.149 0.000 0.981 197 S CB -0.370 62.895 63.200 0.108 0.000 0.818 197 S HN 0.215 nan 8.310 nan 0.000 0.472 198 N N 1.324 120.058 118.700 0.056 0.000 2.512 198 N HA 0.004 4.443 4.740 -0.502 0.000 0.183 198 N C 1.067 176.565 175.510 -0.019 0.000 1.073 198 N CA 0.520 53.562 53.050 -0.012 0.000 0.911 198 N CB -0.076 38.400 38.487 -0.018 0.000 0.964 198 N HN 0.565 nan 8.380 nan 0.000 0.447 199 E N -0.574 119.661 120.200 0.058 0.000 2.479 199 E HA 0.161 4.210 4.350 -0.502 0.000 0.193 199 E C 1.164 177.788 176.600 0.039 0.000 1.049 199 E CA 0.055 56.481 56.400 0.043 0.000 0.870 199 E CB 0.232 29.996 29.700 0.106 0.000 0.944 199 E HN 0.321 nan 8.360 nan 0.000 0.492 200 M N -0.196 119.434 119.600 0.051 0.000 2.465 200 M HA 0.033 4.212 4.480 -0.502 0.000 0.249 200 M C 1.239 177.591 176.300 0.087 0.000 1.130 200 M CA 0.817 56.161 55.300 0.074 0.000 1.067 200 M CB 0.460 33.114 32.600 0.089 0.000 1.394 200 M HN 0.078 nan 8.290 nan 0.000 0.483 201 T N -1.011 113.571 114.554 0.047 0.000 3.587 201 T HA 0.139 4.188 4.350 -0.502 0.000 0.221 201 T C 1.262 175.976 174.700 0.023 0.000 0.921 201 T CA 0.298 62.444 62.100 0.076 0.000 1.426 201 T CB -0.708 68.192 68.868 0.054 0.000 1.340 201 T HN 0.362 nan 8.240 nan 0.000 0.423 202 G N 1.121 109.858 108.800 -0.105 0.000 3.213 202 G HA2 0.409 4.068 3.960 -0.502 0.000 0.263 202 G HA3 0.409 4.068 3.960 -0.502 0.000 0.263 202 G C 0.647 175.517 174.900 -0.050 0.000 0.829 202 G CA 0.258 45.275 45.100 -0.139 0.000 1.983 202 G HN 0.620 nan 8.290 nan 0.000 0.616 203 N N -0.521 118.207 118.700 0.047 0.000 2.368 203 N HA 0.182 4.621 4.740 -0.502 0.000 0.178 203 N C 1.810 177.405 175.510 0.142 0.000 1.076 203 N CA 0.957 54.072 53.050 0.109 0.000 0.889 203 N CB -0.310 38.230 38.487 0.089 0.000 1.040 203 N HN 0.583 nan 8.380 nan 0.000 0.463 204 E N 0.326 120.599 120.200 0.121 0.000 2.492 204 E HA -0.085 3.964 4.350 -0.502 0.000 0.204 204 E C 0.315 176.974 176.600 0.099 0.000 1.073 204 E CA 0.744 57.208 56.400 0.107 0.000 0.887 204 E CB -0.707 29.049 29.700 0.094 0.000 0.813 204 E HN 0.771 nan 8.360 nan 0.000 0.562 205 D N -0.965 119.516 120.400 0.135 0.000 2.163 205 D HA 0.152 4.491 4.640 -0.502 0.000 0.248 205 D C -1.700 174.631 176.300 0.051 0.000 1.035 205 D CA -1.925 52.134 54.000 0.098 0.000 0.872 205 D CB 2.239 43.133 40.800 0.156 0.000 1.183 205 D HN -0.090 nan 8.370 nan 0.000 0.445 206 P HA -0.125 nan 4.420 nan 0.000 0.220 206 P C 0.986 178.257 177.300 -0.047 0.000 1.148 206 P CA 0.830 63.932 63.100 0.003 0.000 0.803 206 P CB 0.361 32.060 31.700 -0.001 0.000 0.782 207 E N -0.718 119.359 120.200 -0.205 0.000 2.265 207 E HA -0.166 3.883 4.350 -0.502 0.000 0.196 207 E C 0.444 176.776 176.600 -0.445 0.000 0.996 207 E CA 0.831 56.991 56.400 -0.401 0.000 0.832 207 E CB -0.175 29.115 29.700 -0.683 0.000 0.756 207 E HN 0.305 nan 8.360 nan 0.000 0.491 208 Y N -1.782 118.578 120.300 0.099 0.000 2.682 208 Y HA 0.446 4.693 4.550 -0.505 0.000 0.251 208 Y C 1.390 177.212 175.900 -0.129 0.000 1.172 208 Y CA -0.019 58.044 58.100 -0.061 0.000 1.186 208 Y CB 0.142 38.570 38.460 -0.053 0.000 1.216 208 Y HN 0.069 nan 8.280 nan 0.000 0.540 209 A N 0.409 123.298 122.820 0.114 0.000 2.019 209 A HA -0.203 3.816 4.320 -0.502 0.000 0.219 209 A C 1.913 179.550 177.584 0.089 0.000 1.164 209 A CA 2.015 54.116 52.037 0.107 0.000 0.644 209 A CB -0.847 18.222 19.000 0.116 0.000 0.805 209 A HN 0.662 nan 8.150 nan 0.000 0.449 210 H N -1.515 117.610 119.070 0.091 0.000 2.551 210 H HA 0.200 4.455 4.556 -0.502 0.000 0.266 210 H C 0.192 175.578 175.328 0.097 0.000 0.977 210 H CA -0.114 55.982 56.048 0.080 0.000 1.163 210 H CB -0.512 29.290 29.762 0.066 0.000 1.381 210 H HN 0.251 nan 8.280 nan 0.000 0.581 211 I N 2.691 123.065 120.570 -0.326 0.000 2.474 211 I HA 0.039 3.908 4.170 -0.502 0.000 0.287 211 I C 0.132 176.238 176.117 -0.018 0.000 1.048 211 I CA -0.470 60.734 61.300 -0.159 0.000 1.383 211 I CB 1.179 39.089 38.000 -0.151 0.000 1.412 211 I HN 0.101 nan 8.210 nan 0.000 0.531 212 D N 8.571 128.985 120.400 0.023 0.000 2.472 212 D HA 0.322 4.661 4.640 -0.502 0.000 0.234 212 D C -1.693 174.634 176.300 0.045 0.000 1.088 212 D CA -2.123 51.900 54.000 0.039 0.000 0.882 212 D CB 1.547 42.373 40.800 0.044 0.000 1.037 212 D HN 0.156 nan 8.370 nan 0.000 0.520 213 P HA -0.129 nan 4.420 nan 0.000 0.220 213 P C 1.011 178.339 177.300 0.047 0.000 1.148 213 P CA 0.869 64.004 63.100 0.058 0.000 0.803 213 P CB 0.473 32.220 31.700 0.078 0.000 0.782 214 K N -0.087 120.337 120.400 0.040 0.000 2.097 214 K HA -0.047 3.972 4.320 -0.502 0.000 0.206 214 K C 2.256 178.853 176.600 -0.004 0.000 1.049 214 K CA 1.394 57.695 56.287 0.025 0.000 0.933 214 K CB -0.512 32.002 32.500 0.024 0.000 0.717 214 K HN 0.042 nan 8.250 nan 0.000 0.442 215 A N 0.899 123.719 122.820 0.000 0.000 1.898 215 A HA -0.133 3.886 4.320 -0.502 0.000 0.216 215 A C 2.206 179.746 177.584 -0.072 0.000 1.181 215 A CA 1.733 53.756 52.037 -0.023 0.000 0.620 215 A CB -0.445 18.561 19.000 0.010 0.000 0.819 215 A HN 0.149 nan 8.150 nan 0.000 0.442 216 S N -0.575 115.109 115.700 -0.027 0.000 2.383 216 S HA -0.118 4.051 4.470 -0.502 0.000 0.227 216 S C 2.313 176.802 174.600 -0.184 0.000 1.026 216 S CA 1.320 59.483 58.200 -0.063 0.000 0.981 216 S CB -0.297 62.981 63.200 0.130 0.000 0.818 216 S HN 0.684 nan 8.310 nan 0.000 0.472 217 S N 1.530 117.177 115.700 -0.088 0.000 2.368 217 S HA -0.091 4.078 4.470 -0.502 0.000 0.225 217 S C 2.065 176.550 174.600 -0.190 0.000 1.030 217 S CA 1.245 59.390 58.200 -0.092 0.000 0.999 217 S CB -0.450 62.745 63.200 -0.008 0.000 0.844 217 S HN 0.530 nan 8.310 nan 0.000 0.459 218 A N 1.343 124.053 122.820 -0.183 0.000 1.902 218 A HA -0.088 3.930 4.320 -0.502 0.000 0.217 218 A C 2.056 179.440 177.584 -0.332 0.000 1.181 218 A CA 1.560 53.469 52.037 -0.213 0.000 0.623 218 A CB -0.648 18.267 19.000 -0.141 0.000 0.818 218 A HN 0.697 nan 8.150 nan 0.000 0.443 219 E N -0.714 119.188 120.200 -0.496 0.000 2.106 219 E HA -0.161 3.887 4.350 -0.502 0.000 0.192 219 E C 1.917 177.902 176.600 -1.026 0.000 0.984 219 E CA 1.072 56.984 56.400 -0.813 0.000 0.806 219 E CB -0.278 28.683 29.700 -1.230 0.000 0.750 219 E HN 0.489 nan 8.360 nan 0.000 0.458 220 L N 1.375 122.076 121.223 -0.869 0.000 2.046 220 L HA -0.130 3.909 4.340 -0.502 0.000 0.208 220 L C 2.097 178.836 176.870 -0.218 0.000 1.077 220 L CA 1.374 55.956 54.840 -0.429 0.000 0.747 220 L CB -0.366 41.612 42.059 -0.135 0.000 0.896 220 L HN 0.056 nan 8.230 nan 0.000 0.432 221 I N -0.690 119.712 120.570 -0.280 0.000 2.226 221 I HA -0.234 3.634 4.170 -0.502 0.000 0.245 221 I C 2.466 178.465 176.117 -0.196 0.000 1.100 221 I CA 1.334 62.463 61.300 -0.286 0.000 1.374 221 I CB -1.059 36.688 38.000 -0.421 0.000 1.057 221 I HN 0.406 nan 8.210 nan 0.000 0.413 222 G N -0.096 108.588 108.800 -0.193 0.000 2.446 222 G HA2 -0.343 3.316 3.960 -0.502 0.000 0.217 222 G HA3 -0.343 3.316 3.960 -0.502 0.000 0.217 222 G C 1.648 176.526 174.900 -0.037 0.000 1.168 222 G CA 0.851 45.881 45.100 -0.118 0.000 0.771 222 G HN 0.381 nan 8.290 nan 0.000 0.551 223 Y N 1.971 122.199 120.300 -0.121 0.000 2.181 223 Y HA -0.010 4.239 4.550 -0.501 0.000 0.288 223 Y C 2.908 178.864 175.900 0.093 0.000 1.146 223 Y CA 1.587 59.709 58.100 0.035 0.000 1.164 223 Y CB -0.322 38.239 38.460 0.168 0.000 0.982 223 Y HN 0.250 nan 8.280 nan 0.000 0.515 224 A N 0.171 123.057 122.820 0.109 0.000 1.898 224 A HA -0.173 3.846 4.320 -0.502 0.000 0.216 224 A C 2.296 180.010 177.584 0.217 0.000 1.181 224 A CA 1.828 53.967 52.037 0.171 0.000 0.620 224 A CB -0.770 18.242 19.000 0.020 0.000 0.819 224 A HN 0.574 nan 8.150 nan 0.000 0.442 225 M N -0.543 119.105 119.600 0.079 0.000 2.108 225 M HA -0.187 3.992 4.480 -0.502 0.000 0.261 225 M C 2.105 178.408 176.300 0.004 0.000 1.066 225 M CA 1.688 57.029 55.300 0.069 0.000 1.107 225 M CB -0.357 32.237 32.600 -0.010 0.000 1.356 225 M HN 0.322 nan 8.290 nan 0.000 0.406 226 K N 0.036 120.398 120.400 -0.063 0.000 2.097 226 K HA -0.170 3.849 4.320 -0.502 0.000 0.206 226 K C 2.000 178.516 176.600 -0.141 0.000 1.049 226 K CA 1.454 57.678 56.287 -0.106 0.000 0.933 226 K CB -0.263 32.153 32.500 -0.139 0.000 0.717 226 K HN 0.399 nan 8.250 nan 0.000 0.442 227 M N 0.499 119.992 119.600 -0.178 0.000 2.159 227 M HA -0.166 4.012 4.480 -0.502 0.000 0.263 227 M C 2.106 178.295 176.300 -0.184 0.000 1.063 227 M CA 1.654 56.853 55.300 -0.168 0.000 1.110 227 M CB -0.078 32.472 32.600 -0.084 0.000 1.374 227 M HN 0.148 nan 8.290 nan 0.000 0.411 228 A N 0.149 122.850 122.820 -0.198 0.000 1.873 228 A HA -0.200 3.819 4.320 -0.502 0.000 0.215 228 A C 1.927 179.405 177.584 -0.177 0.000 1.186 228 A CA 1.891 53.732 52.037 -0.326 0.000 0.616 228 A CB -0.948 17.904 19.000 -0.247 0.000 0.823 228 A HN 0.658 nan 8.150 nan 0.000 0.442 229 E N -0.432 119.705 120.200 -0.105 0.000 2.086 229 E HA -0.298 3.751 4.350 -0.502 0.000 0.200 229 E C 2.097 178.648 176.600 -0.082 0.000 1.012 229 E CA 1.896 58.250 56.400 -0.076 0.000 0.812 229 E CB -0.124 29.541 29.700 -0.058 0.000 0.743 229 E HN 0.916 nan 8.360 nan 0.000 0.453 230 E N -0.144 120.001 120.200 -0.092 0.000 2.170 230 E HA -0.083 3.966 4.350 -0.502 0.000 0.191 230 E C 2.028 178.580 176.600 -0.080 0.000 0.981 230 E CA 1.218 57.573 56.400 -0.076 0.000 0.830 230 E CB -0.110 29.545 29.700 -0.074 0.000 0.775 230 E HN 0.066 nan 8.360 nan 0.000 0.470 231 K N 1.050 121.384 120.400 -0.110 0.000 2.365 231 K HA 0.256 4.275 4.320 -0.502 0.000 0.199 231 K C 2.092 178.634 176.600 -0.098 0.000 1.045 231 K CA 0.968 57.189 56.287 -0.109 0.000 0.962 231 K CB -0.665 31.743 32.500 -0.153 0.000 0.759 231 K HN 0.356 nan 8.250 nan 0.000 0.469 232 A N 0.913 123.675 122.820 -0.097 0.000 1.972 232 A HA 0.221 4.240 4.320 -0.502 0.000 0.219 232 A C 1.986 179.538 177.584 -0.054 0.000 1.169 232 A CA 1.834 53.827 52.037 -0.073 0.000 0.635 232 A CB -0.660 18.301 19.000 -0.066 0.000 0.810 232 A HN 0.720 nan 8.150 nan 0.000 0.446 237 D N 1.230 121.624 120.400 -0.011 0.000 2.498 237 D HA 0.472 4.811 4.640 -0.502 0.000 0.229 237 D C -0.312 175.985 176.300 -0.005 0.000 1.188 237 D CA 0.649 54.645 54.000 -0.008 0.000 1.028 237 D CB -0.559 40.239 40.800 -0.004 0.000 1.087 237 D HN 0.903 nan 8.370 nan 0.000 0.510 238 D N -2.523 117.872 120.400 -0.009 0.000 2.639 238 D HA 0.196 4.534 4.640 -0.502 0.000 0.271 238 D C 1.070 177.367 176.300 -0.005 0.000 1.254 238 D CA -0.580 53.418 54.000 -0.002 0.000 0.810 238 D CB 0.587 41.390 40.800 0.004 0.000 1.351 238 D HN 0.291 nan 8.370 nan 0.000 0.427 239 I N -0.712 119.862 120.570 0.007 0.000 2.361 239 I HA -0.142 3.726 4.170 -0.502 0.000 0.251 239 I C 0.978 177.110 176.117 0.026 0.000 1.133 239 I CA 0.969 62.275 61.300 0.010 0.000 1.413 239 I CB -0.106 37.890 38.000 -0.005 0.000 1.073 239 I HN 0.255 nan 8.210 nan 0.000 0.424 240 V N 1.745 121.675 119.914 0.026 0.000 2.307 240 V HA -0.233 3.586 4.120 -0.502 0.000 0.245 240 V C 2.667 178.675 176.094 -0.144 0.000 1.045 240 V CA 2.533 64.793 62.300 -0.066 0.000 1.024 240 V CB -1.382 30.361 31.823 -0.133 0.000 0.651 240 V HN 0.554 nan 8.190 nan 0.000 0.449 241 T N 0.004 114.499 114.554 -0.098 0.000 2.665 241 T HA -0.328 3.721 4.350 -0.502 0.000 0.268 241 T C 2.258 176.917 174.700 -0.068 0.000 1.035 241 T CA 2.407 64.455 62.100 -0.087 0.000 1.151 241 T CB -0.592 68.242 68.868 -0.057 0.000 0.862 241 T HN 0.689 nan 8.240 nan 0.000 0.438 242 Q N 0.829 120.601 119.800 -0.047 0.000 2.119 242 Q HA 0.105 4.144 4.340 -0.502 0.000 0.201 242 Q C 2.362 178.337 176.000 -0.041 0.000 0.972 242 Q CA 1.339 57.120 55.803 -0.036 0.000 0.847 242 Q CB -1.128 27.595 28.738 -0.025 0.000 0.903 242 Q HN 0.666 nan 8.270 nan 0.000 0.433 243 L N -0.028 121.167 121.223 -0.046 0.000 2.156 243 L HA 0.026 4.065 4.340 -0.502 0.000 0.208 243 L C 2.557 179.404 176.870 -0.038 0.000 1.095 243 L CA 1.409 56.223 54.840 -0.042 0.000 0.770 243 L CB -0.187 41.867 42.059 -0.009 0.000 0.914 243 L HN 0.692 nan 8.230 nan 0.000 0.439 244 I N -3.449 117.075 120.570 -0.077 0.000 3.883 244 I HA 0.096 3.964 4.170 -0.502 0.000 0.326 244 I C 0.362 176.447 176.117 -0.053 0.000 1.283 244 I CA -0.094 61.161 61.300 -0.075 0.000 1.161 244 I CB 0.054 37.964 38.000 -0.151 0.000 1.012 244 I HN 0.158 nan 8.210 nan 0.000 0.421 245 Q N 2.226 121.998 119.800 -0.046 0.000 2.274 245 Q HA 0.640 4.679 4.340 -0.502 0.000 0.260 245 Q C -0.077 175.909 176.000 -0.023 0.000 0.974 245 Q CA -0.840 54.943 55.803 -0.033 0.000 0.876 245 Q CB 2.358 31.076 28.738 -0.034 0.000 1.297 245 Q HN 0.408 nan 8.270 nan 0.000 0.446 246 A N 1.873 124.683 122.820 -0.017 0.000 2.580 246 A HA 0.263 4.281 4.320 -0.502 0.000 0.244 246 A C 0.266 177.842 177.584 -0.013 0.000 1.045 246 A CA 0.828 52.858 52.037 -0.012 0.000 0.761 246 A CB -0.773 18.221 19.000 -0.009 0.000 0.962 246 A HN 0.839 nan 8.150 nan 0.000 0.512 251 E N 1.083 121.279 120.200 -0.006 0.000 2.222 251 E HA 0.637 4.686 4.350 -0.502 0.000 0.272 251 E C -0.200 176.397 176.600 -0.005 0.000 0.982 251 E CA -0.282 56.116 56.400 -0.004 0.000 0.842 251 E CB 2.170 31.866 29.700 -0.007 0.000 1.144 251 E HN 0.600 nan 8.360 nan 0.000 0.397 252 K N 0.393 120.794 120.400 0.002 0.000 2.568 252 K HA 0.441 4.460 4.320 -0.502 0.000 0.273 252 K C -0.738 175.875 176.600 0.021 0.000 0.951 252 K CA -0.819 55.470 56.287 0.002 0.000 0.854 252 K CB 0.805 33.303 32.500 -0.004 0.000 1.424 252 K HN 0.223 nan 8.250 nan 0.000 0.427 253 L N 2.597 123.838 121.223 0.032 0.000 2.416 253 L HA 0.143 4.181 4.340 -0.502 0.000 0.272 253 L C 0.731 177.651 176.870 0.083 0.000 1.161 253 L CA -0.336 54.552 54.840 0.080 0.000 0.845 253 L CB 0.993 43.137 42.059 0.142 0.000 1.119 253 L HN 0.923 nan 8.230 nan 0.000 0.464 254 S N 0.688 116.448 115.700 0.099 0.000 2.617 254 S HA 0.075 4.244 4.470 -0.502 0.000 0.259 254 S C 0.583 175.260 174.600 0.128 0.000 1.301 254 S CA -0.742 57.511 58.200 0.089 0.000 0.984 254 S CB 1.080 64.332 63.200 0.088 0.000 0.954 254 S HN 0.584 nan 8.310 nan 0.000 0.572 255 D N 1.080 121.538 120.400 0.096 0.000 2.117 255 D HA -0.123 4.216 4.640 -0.502 0.000 0.197 255 D C 1.806 178.201 176.300 0.159 0.000 0.987 255 D CA 1.665 55.736 54.000 0.118 0.000 0.829 255 D CB -0.415 40.418 40.800 0.054 0.000 0.961 255 D HN 0.835 nan 8.370 nan 0.000 0.460 256 D N 0.716 121.189 120.400 0.122 0.000 2.149 256 D HA -0.161 4.178 4.640 -0.502 0.000 0.201 256 D C 1.495 177.942 176.300 0.244 0.000 0.972 256 D CA 0.748 54.819 54.000 0.117 0.000 0.835 256 D CB -0.345 40.524 40.800 0.116 0.000 0.966 256 D HN 0.232 nan 8.370 nan 0.000 0.476 257 E N -0.359 120.004 120.200 0.271 0.000 2.118 257 E HA -0.159 3.889 4.350 -0.502 0.000 0.195 257 E C 1.896 178.693 176.600 0.328 0.000 0.992 257 E CA 0.882 57.466 56.400 0.307 0.000 0.804 257 E CB -0.337 29.493 29.700 0.217 0.000 0.741 257 E HN 0.300 nan 8.360 nan 0.000 0.458 258 F N 0.997 121.050 119.950 0.171 0.000 2.134 258 F HA -0.074 4.152 4.527 -0.501 0.000 0.299 258 F C 2.146 178.069 175.800 0.204 0.000 1.097 258 F CA 1.726 59.854 58.000 0.213 0.000 1.264 258 F CB -0.626 38.453 39.000 0.133 0.000 1.001 258 F HN -0.043 nan 8.300 nan 0.000 0.479 259 G N -0.299 108.508 108.800 0.011 0.000 2.446 259 G HA2 -0.306 3.353 3.960 -0.502 0.000 0.217 259 G HA3 -0.306 3.353 3.960 -0.502 0.000 0.217 259 G C 1.553 176.275 174.900 -0.296 0.000 1.168 259 G CA 1.033 45.998 45.100 -0.226 0.000 0.771 259 G HN 0.385 nan 8.290 nan 0.000 0.551 260 F N -0.331 119.621 119.950 0.003 0.000 2.325 260 F HA 0.172 4.397 4.527 -0.503 0.000 0.299 260 F C 2.093 177.934 175.800 0.068 0.000 1.090 260 F CA 0.142 58.164 58.000 0.037 0.000 1.392 260 F CB -0.414 38.639 39.000 0.090 0.000 1.053 260 F HN 0.177 nan 8.300 nan 0.000 0.521 261 F N 0.187 120.170 119.950 0.055 0.000 2.146 261 F HA -0.136 4.090 4.527 -0.501 0.000 0.298 261 F C 2.078 177.829 175.800 -0.082 0.000 1.096 261 F CA 1.205 59.208 58.000 0.006 0.000 1.275 261 F CB -0.831 38.153 39.000 -0.027 0.000 1.008 261 F HN -0.209 nan 8.300 nan 0.000 0.480 262 V N -0.292 119.328 119.914 -0.490 0.000 2.358 262 V HA -0.247 3.572 4.120 -0.502 0.000 0.246 262 V C 2.487 178.419 176.094 -0.270 0.000 1.047 262 V CA 1.559 63.534 62.300 -0.542 0.000 1.035 262 V CB -0.676 30.873 31.823 -0.456 0.000 0.658 262 V HN 0.270 nan 8.190 nan 0.000 0.452 263 V N -0.248 119.574 119.914 -0.153 0.000 2.332 263 V HA -0.371 3.448 4.120 -0.502 0.000 0.248 263 V C 2.343 178.435 176.094 -0.003 0.000 1.055 263 V CA 2.646 64.919 62.300 -0.044 0.000 1.038 263 V CB -0.550 31.281 31.823 0.013 0.000 0.651 263 V HN 0.596 nan 8.190 nan 0.000 0.450 264 M N -0.862 118.740 119.600 0.004 0.000 2.117 264 M HA -0.178 4.001 4.480 -0.502 0.000 0.262 264 M C 2.049 178.336 176.300 -0.020 0.000 1.065 264 M CA 1.984 57.305 55.300 0.035 0.000 1.114 264 M CB -0.139 32.522 32.600 0.102 0.000 1.361 264 M HN 0.256 nan 8.290 nan 0.000 0.408 265 L N 0.001 121.128 121.223 -0.161 0.000 2.093 265 L HA -0.114 3.925 4.340 -0.502 0.000 0.208 265 L C 2.772 179.620 176.870 -0.036 0.000 1.085 265 L CA 1.098 55.863 54.840 -0.125 0.000 0.755 265 L CB -1.044 40.849 42.059 -0.278 0.000 0.904 265 L HN 0.425 nan 8.230 nan 0.000 0.435 266 A N -0.375 122.422 122.820 -0.038 0.000 1.978 266 A HA -0.127 3.892 4.320 -0.502 0.000 0.220 266 A C 2.221 179.831 177.584 0.043 0.000 1.170 266 A CA 1.775 53.822 52.037 0.016 0.000 0.636 266 A CB -0.487 18.538 19.000 0.042 0.000 0.810 266 A HN 0.258 nan 8.150 nan 0.000 0.448 267 V N -1.028 118.925 119.914 0.064 0.000 2.492 267 V HA 0.005 3.824 4.120 -0.502 0.000 0.241 267 V C 2.926 179.098 176.094 0.131 0.000 1.041 267 V CA 1.298 63.664 62.300 0.109 0.000 1.057 267 V CB -1.100 30.815 31.823 0.152 0.000 0.711 267 V HN 0.526 nan 8.190 nan 0.000 0.468 268 A N 0.629 123.523 122.820 0.124 0.000 1.972 268 A HA -0.034 3.985 4.320 -0.502 0.000 0.219 268 A C 2.079 179.740 177.584 0.130 0.000 1.169 268 A CA 1.956 54.085 52.037 0.153 0.000 0.635 268 A CB -0.737 18.337 19.000 0.123 0.000 0.810 268 A HN 0.588 nan 8.150 nan 0.000 0.446 269 G N -1.690 107.165 108.800 0.092 0.000 3.324 269 G HA2 0.177 3.836 3.960 -0.502 0.000 0.251 269 G HA3 0.177 3.836 3.960 -0.502 0.000 0.251 269 G C 0.884 175.813 174.900 0.049 0.000 1.072 269 G CA 0.712 45.864 45.100 0.087 0.000 0.787 269 G HN 0.469 nan 8.290 nan 0.000 0.537 270 N N 0.802 119.518 118.700 0.028 0.000 2.660 270 N HA 0.012 4.451 4.740 -0.502 0.000 0.231 270 N C 1.766 177.258 175.510 -0.029 0.000 1.022 270 N CA 0.638 53.673 53.050 -0.025 0.000 1.178 270 N CB 0.014 38.478 38.487 -0.038 0.000 1.536 270 N HN 0.146 nan 8.380 nan 0.000 0.582 271 E N -0.192 119.988 120.200 -0.032 0.000 2.204 271 E HA -0.123 3.926 4.350 -0.502 0.000 0.194 271 E C 1.650 178.222 176.600 -0.047 0.000 0.989 271 E CA 1.569 57.933 56.400 -0.061 0.000 0.824 271 E CB -0.161 29.480 29.700 -0.099 0.000 0.756 271 E HN 0.675 nan 8.360 nan 0.000 0.477 272 T N -0.655 113.892 114.554 -0.011 0.000 2.622 272 T HA -0.188 3.861 4.350 -0.502 0.000 0.266 272 T C 2.146 176.855 174.700 0.015 0.000 1.047 272 T CA 1.880 63.979 62.100 -0.003 0.000 1.159 272 T CB -0.885 68.015 68.868 0.053 0.000 0.863 272 T HN -0.018 nan 8.240 nan 0.000 0.422 273 T N 1.402 115.985 114.554 0.049 0.000 2.777 273 T HA -0.019 4.030 4.350 -0.502 0.000 0.266 273 T C 2.041 176.776 174.700 0.059 0.000 1.040 273 T CA 1.219 63.365 62.100 0.077 0.000 1.141 273 T CB -0.343 68.577 68.868 0.088 0.000 0.868 273 T HN 0.413 nan 8.240 nan 0.000 0.444 274 R N 1.314 121.825 120.500 0.019 0.000 2.096 274 R HA -0.135 3.904 4.340 -0.502 0.000 0.240 274 R C 2.067 178.396 176.300 0.047 0.000 1.139 274 R CA 1.624 57.733 56.100 0.015 0.000 0.952 274 R CB -0.274 30.009 30.300 -0.028 0.000 0.854 274 R HN 0.305 nan 8.270 nan 0.000 0.436 275 N N 0.277 118.984 118.700 0.012 0.000 2.331 275 N HA -0.121 4.318 4.740 -0.502 0.000 0.180 275 N C 1.807 177.335 175.510 0.030 0.000 1.019 275 N CA 1.476 54.527 53.050 0.002 0.000 0.881 275 N CB -0.092 38.359 38.487 -0.059 0.000 0.972 275 N HN 0.372 nan 8.380 nan 0.000 0.435 276 S N 0.918 116.646 115.700 0.046 0.000 2.382 276 S HA -0.059 4.110 4.470 -0.502 0.000 0.228 276 S C 2.083 176.808 174.600 0.208 0.000 1.027 276 S CA 0.640 58.888 58.200 0.080 0.000 0.991 276 S CB -0.545 62.696 63.200 0.068 0.000 0.823 276 S HN 0.222 nan 8.310 nan 0.000 0.469 277 I N 1.815 122.542 120.570 0.261 0.000 2.163 277 I HA -0.142 3.727 4.170 -0.502 0.000 0.240 277 I C 2.868 179.259 176.117 0.458 0.000 1.081 277 I CA 1.567 63.112 61.300 0.409 0.000 1.353 277 I CB -1.050 37.076 38.000 0.209 0.000 1.054 277 I HN 0.325 nan 8.210 nan 0.000 0.407 278 T N 0.253 115.008 114.554 0.335 0.000 2.652 278 T HA -0.248 3.801 4.350 -0.502 0.000 0.267 278 T C 1.853 176.550 174.700 -0.004 0.000 1.039 278 T CA 1.479 63.742 62.100 0.271 0.000 1.153 278 T CB -0.335 68.650 68.868 0.195 0.000 0.863 278 T HN 0.411 nan 8.240 nan 0.000 0.428 279 Q N 0.151 119.937 119.800 -0.022 0.000 2.230 279 Q HA 0.069 4.108 4.340 -0.502 0.000 0.202 279 Q C 2.716 178.644 176.000 -0.120 0.000 0.963 279 Q CA 0.914 56.644 55.803 -0.121 0.000 0.866 279 Q CB -0.262 28.433 28.738 -0.070 0.000 0.931 279 Q HN 0.602 nan 8.270 nan 0.000 0.452 280 G N 0.944 109.737 108.800 -0.012 0.000 2.408 280 G HA2 -0.258 3.401 3.960 -0.502 0.000 0.217 280 G HA3 -0.258 3.401 3.960 -0.502 0.000 0.217 280 G C 1.382 176.177 174.900 -0.175 0.000 1.150 280 G CA 0.641 45.609 45.100 -0.219 0.000 0.776 280 G HN 0.193 nan 8.290 nan 0.000 0.542 281 M N 0.242 119.988 119.600 0.243 0.000 2.175 281 M HA 0.199 4.378 4.480 -0.502 0.000 0.264 281 M C 2.471 178.733 176.300 -0.064 0.000 1.063 281 M CA 1.228 56.646 55.300 0.196 0.000 1.119 281 M CB -0.338 32.264 32.600 0.002 0.000 1.377 281 M HN 0.203 nan 8.290 nan 0.000 0.415 282 M N -0.762 118.627 119.600 -0.352 0.000 2.108 282 M HA -0.179 4.000 4.480 -0.502 0.000 0.261 282 M C 2.183 178.288 176.300 -0.325 0.000 1.066 282 M CA 1.855 56.845 55.300 -0.516 0.000 1.107 282 M CB -0.672 31.498 32.600 -0.717 0.000 1.356 282 M HN 0.442 nan 8.290 nan 0.000 0.406 283 A N 0.011 122.523 122.820 -0.515 0.000 1.908 283 A HA -0.172 3.847 4.320 -0.502 0.000 0.218 283 A C 1.852 179.032 177.584 -0.673 0.000 1.181 283 A CA 1.620 53.081 52.037 -0.961 0.000 0.627 283 A CB -1.008 16.527 19.000 -2.442 0.000 0.818 283 A HN 0.413 nan 8.150 nan 0.000 0.445 284 F N 0.164 119.842 119.950 -0.453 0.000 2.171 284 F HA -0.069 4.239 4.527 -0.365 0.000 0.300 284 F C 2.766 178.503 175.800 -0.104 0.000 1.090 284 F CA 0.620 58.524 58.000 -0.160 0.000 1.293 284 F CB -0.720 38.108 39.000 -0.287 0.000 1.013 284 F HN 0.263 nan 8.300 nan 0.000 0.486 285 A N -0.415 122.429 122.820 0.040 0.000 1.933 285 A HA -0.197 3.822 4.320 -0.502 0.000 0.218 285 A C 2.105 179.705 177.584 0.026 0.000 1.175 285 A CA 1.913 53.977 52.037 0.044 0.000 0.628 285 A CB -0.922 18.155 19.000 0.128 0.000 0.814 285 A HN 0.288 nan 8.150 nan 0.000 0.444 286 E N -0.706 119.467 120.200 -0.045 0.000 2.299 286 E HA -0.068 3.981 4.350 -0.502 0.000 0.193 286 E C -0.175 176.208 176.600 -0.361 0.000 0.998 286 E CA 0.824 57.112 56.400 -0.187 0.000 0.851 286 E CB -0.377 29.193 29.700 -0.216 0.000 0.795 286 E HN 0.833 nan 8.360 nan 0.000 0.492 287 H N -0.717 118.360 119.070 0.013 0.000 2.348 287 H HA 0.320 4.561 4.556 -0.526 0.000 0.232 287 H C -2.069 173.394 175.328 0.225 0.000 1.419 287 H CA -1.656 54.452 56.048 0.099 0.000 1.416 287 H CB 1.570 31.385 29.762 0.087 0.000 1.510 287 H HN 0.190 nan 8.280 nan 0.000 0.507 288 P HA -0.144 nan 4.420 nan 0.000 0.222 288 P C 0.704 178.198 177.300 0.324 0.000 1.147 288 P CA 1.015 64.307 63.100 0.320 0.000 0.790 288 P CB 0.602 32.431 31.700 0.214 0.000 0.780 289 D N -0.594 119.963 120.400 0.260 0.000 2.178 289 D HA -0.126 4.213 4.640 -0.502 0.000 0.202 289 D C 2.147 178.597 176.300 0.249 0.000 0.974 289 D CA 0.952 55.076 54.000 0.207 0.000 0.841 289 D CB -0.355 40.538 40.800 0.155 0.000 0.953 289 D HN 0.175 nan 8.370 nan 0.000 0.478 290 Q N -0.612 119.401 119.800 0.357 0.000 2.123 290 Q HA -0.111 3.927 4.340 -0.502 0.000 0.199 290 Q C 2.106 178.486 176.000 0.635 0.000 0.966 290 Q CA 0.559 56.622 55.803 0.432 0.000 0.845 290 Q CB -0.339 28.663 28.738 0.439 0.000 0.907 290 Q HN 0.569 nan 8.270 nan 0.000 0.439 291 W N 1.758 123.315 121.300 0.428 0.000 2.381 291 W HA -0.165 4.219 4.660 -0.460 0.000 0.301 291 W C 1.337 177.904 176.519 0.079 0.000 1.205 291 W CA 0.907 58.321 57.345 0.115 0.000 1.285 291 W CB 0.399 29.919 29.460 0.099 0.000 1.133 291 W HN 0.116 nan 8.180 nan 0.000 0.521 292 E N 0.874 121.115 120.200 0.067 0.000 2.077 292 E HA -0.252 3.797 4.350 -0.502 0.000 0.193 292 E C 2.025 178.569 176.600 -0.093 0.000 0.989 292 E CA 1.327 57.674 56.400 -0.089 0.000 0.800 292 E CB -1.077 28.632 29.700 0.015 0.000 0.746 292 E HN 0.323 nan 8.360 nan 0.000 0.452 293 L N 0.382 121.618 121.223 0.022 0.000 2.046 293 L HA -0.203 3.836 4.340 -0.502 0.000 0.208 293 L C 2.395 179.243 176.870 -0.037 0.000 1.077 293 L CA 1.672 56.517 54.840 0.010 0.000 0.747 293 L CB -0.867 41.236 42.059 0.073 0.000 0.896 293 L HN 0.106 nan 8.230 nan 0.000 0.432 294 Y N 0.442 120.696 120.300 -0.077 0.000 2.128 294 Y HA -0.285 3.991 4.550 -0.455 0.000 0.284 294 Y C 2.481 178.208 175.900 -0.288 0.000 1.154 294 Y CA 2.220 60.245 58.100 -0.124 0.000 1.149 294 Y CB -0.164 38.231 38.460 -0.107 0.000 0.976 294 Y HN 0.173 nan 8.280 nan 0.000 0.505 295 K N 0.079 120.205 120.400 -0.457 0.000 2.103 295 K HA -0.196 3.823 4.320 -0.502 0.000 0.207 295 K C 2.052 178.433 176.600 -0.365 0.000 1.048 295 K CA 1.859 57.837 56.287 -0.515 0.000 0.930 295 K CB -0.118 32.000 32.500 -0.636 0.000 0.716 295 K HN 0.363 nan 8.250 nan 0.000 0.444 296 K N 0.074 120.303 120.400 -0.286 0.000 2.076 296 K HA -0.041 3.978 4.320 -0.502 0.000 0.204 296 K C 1.968 178.441 176.600 -0.211 0.000 1.051 296 K CA 1.025 57.190 56.287 -0.204 0.000 0.949 296 K CB 0.235 32.651 32.500 -0.141 0.000 0.726 296 K HN -0.053 nan 8.250 nan 0.000 0.443 297 V N 0.482 120.246 119.914 -0.250 0.000 3.085 297 V HA 0.012 3.830 4.120 -0.502 0.000 0.245 297 V C 0.114 176.040 176.094 -0.280 0.000 1.114 297 V CA -0.050 62.127 62.300 -0.205 0.000 1.108 297 V CB -0.224 31.520 31.823 -0.133 0.000 0.798 297 V HN 0.300 nan 8.190 nan 0.000 0.471 298 R N -0.569 119.599 120.500 -0.553 0.000 3.251 298 R HA -0.137 3.901 4.340 -0.502 0.000 0.249 298 R C -2.313 173.828 176.300 -0.265 0.000 0.949 298 R CA 0.528 56.204 56.100 -0.708 0.000 0.645 298 R CB -2.635 27.420 30.300 -0.408 0.000 1.065 298 R HN 0.448 nan 8.270 nan 0.000 0.452 299 P HA 0.080 nan 4.420 nan 0.000 0.271 299 P C 0.559 177.932 177.300 0.123 0.000 1.220 299 P CA -0.011 63.097 63.100 0.013 0.000 0.768 299 P CB 0.652 32.373 31.700 0.034 0.000 0.848 300 E N 1.211 121.474 120.200 0.106 0.000 2.338 300 E HA -0.104 3.945 4.350 -0.502 0.000 0.197 300 E C 1.496 178.182 176.600 0.143 0.000 1.007 300 E CA 1.434 57.921 56.400 0.146 0.000 0.849 300 E CB -0.260 29.509 29.700 0.116 0.000 0.774 300 E HN 0.632 nan 8.360 nan 0.000 0.506 301 T N -1.321 113.297 114.554 0.106 0.000 3.007 301 T HA -0.018 4.031 4.350 -0.502 0.000 0.270 301 T C 1.999 176.740 174.700 0.069 0.000 1.107 301 T CA 0.768 62.918 62.100 0.083 0.000 1.118 301 T CB -0.061 68.834 68.868 0.044 0.000 0.889 301 T HN 0.126 nan 8.240 nan 0.000 0.506 302 A N 1.822 124.714 122.820 0.119 0.000 1.940 302 A HA 0.243 4.262 4.320 -0.502 0.000 0.219 302 A C 2.826 180.430 177.584 0.034 0.000 1.176 302 A CA 1.808 53.892 52.037 0.079 0.000 0.631 302 A CB -1.382 17.807 19.000 0.315 0.000 0.814 302 A HN 0.750 nan 8.150 nan 0.000 0.446 303 A N -0.131 122.766 122.820 0.127 0.000 1.877 303 A HA -0.201 3.818 4.320 -0.502 0.000 0.216 303 A C 1.851 179.497 177.584 0.102 0.000 1.186 303 A CA 1.785 53.907 52.037 0.142 0.000 0.620 303 A CB -0.577 18.559 19.000 0.227 0.000 0.822 303 A HN 0.493 nan 8.150 nan 0.000 0.443 304 D N -0.823 119.658 120.400 0.135 0.000 2.117 304 D HA -0.151 4.188 4.640 -0.502 0.000 0.197 304 D C 1.927 178.160 176.300 -0.112 0.000 0.987 304 D CA 1.692 55.772 54.000 0.134 0.000 0.829 304 D CB -0.160 40.823 40.800 0.304 0.000 0.961 304 D HN 0.581 nan 8.370 nan 0.000 0.460 305 E N 0.911 121.045 120.200 -0.110 0.000 2.077 305 E HA -0.111 3.938 4.350 -0.502 0.000 0.193 305 E C 2.205 178.751 176.600 -0.090 0.000 0.989 305 E CA 0.617 56.895 56.400 -0.203 0.000 0.800 305 E CB -0.330 29.123 29.700 -0.411 0.000 0.746 305 E HN 0.272 nan 8.360 nan 0.000 0.452 306 I N -0.354 120.181 120.570 -0.059 0.000 2.194 306 I HA -0.294 3.575 4.170 -0.502 0.000 0.246 306 I C 2.187 178.268 176.117 -0.060 0.000 1.093 306 I CA 0.979 62.280 61.300 0.002 0.000 1.355 306 I CB -0.255 37.688 38.000 -0.096 0.000 1.046 306 I HN 0.062 nan 8.210 nan 0.000 0.413 307 V N 0.553 120.349 119.914 -0.198 0.000 2.427 307 V HA -0.250 3.569 4.120 -0.502 0.000 0.248 307 V C 2.601 178.403 176.094 -0.486 0.000 1.051 307 V CA 1.748 63.824 62.300 -0.374 0.000 1.048 307 V CB -0.775 30.701 31.823 -0.578 0.000 0.666 307 V HN 0.405 nan 8.190 nan 0.000 0.456 308 R N -0.914 119.199 120.500 -0.645 0.000 2.083 308 R HA -0.229 3.810 4.340 -0.502 0.000 0.237 308 R C 2.320 178.486 176.300 -0.224 0.000 1.137 308 R CA 2.199 57.980 56.100 -0.531 0.000 0.951 308 R CB -0.331 29.636 30.300 -0.554 0.000 0.851 308 R HN 0.693 nan 8.270 nan 0.000 0.434 309 W N 0.636 121.792 121.300 -0.240 0.000 2.381 309 W HA -0.110 4.200 4.660 -0.583 0.000 0.301 309 W C 1.746 178.242 176.519 -0.037 0.000 1.205 309 W CA 1.538 58.862 57.345 -0.035 0.000 1.285 309 W CB -0.104 29.338 29.460 -0.029 0.000 1.133 309 W HN 0.259 nan 8.180 nan 0.000 0.521 310 A N 0.058 122.912 122.820 0.058 0.000 1.970 310 A HA -0.050 3.969 4.320 -0.502 0.000 0.216 310 A C 1.067 178.593 177.584 -0.096 0.000 1.170 310 A CA 1.590 53.606 52.037 -0.035 0.000 0.645 310 A CB -1.228 17.754 19.000 -0.030 0.000 0.816 310 A HN 0.163 nan 8.150 nan 0.000 0.447 311 T N 1.255 115.734 114.554 -0.125 0.000 3.151 311 T HA -0.113 3.936 4.350 -0.502 0.000 0.438 311 T C -1.568 173.054 174.700 -0.130 0.000 0.772 311 T CA 0.841 62.863 62.100 -0.130 0.000 2.200 311 T CB -1.019 67.817 68.868 -0.053 0.000 1.653 311 T HN 0.427 nan 8.240 nan 0.000 0.581 312 P HA 0.013 nan 4.420 nan 0.000 0.218 312 P C 0.578 177.770 177.300 -0.179 0.000 1.149 312 P CA 0.520 63.531 63.100 -0.149 0.000 0.817 312 P CB 0.244 31.870 31.700 -0.124 0.000 0.785 313 V N 0.637 120.445 119.914 -0.175 0.000 2.353 313 V HA 0.049 3.868 4.120 -0.502 0.000 0.264 313 V C 1.502 177.543 176.094 -0.089 0.000 1.049 313 V CA 0.464 62.647 62.300 -0.195 0.000 0.896 313 V CB 0.301 31.906 31.823 -0.364 0.000 1.025 313 V HN 0.074 nan 8.190 nan 0.000 0.475 314 T N 3.505 117.994 114.554 -0.109 0.000 2.746 314 T HA 0.084 4.133 4.350 -0.502 0.000 0.267 314 T C 0.671 175.356 174.700 -0.024 0.000 1.039 314 T CA 1.609 63.697 62.100 -0.020 0.000 1.142 314 T CB 0.121 68.939 68.868 -0.083 0.000 0.866 314 T HN 0.873 nan 8.240 nan 0.000 0.444 315 A N -0.058 122.656 122.820 -0.176 0.000 2.589 315 A HA 0.650 4.668 4.320 -0.502 0.000 0.296 315 A C -1.891 175.408 177.584 -0.475 0.000 1.062 315 A CA -0.763 50.972 52.037 -0.503 0.000 0.686 315 A CB 1.040 19.642 19.000 -0.664 0.000 1.282 315 A HN 0.103 nan 8.150 nan 0.000 0.404 316 F N 0.583 120.248 119.950 -0.475 0.000 2.593 316 F HA 0.638 4.868 4.527 -0.495 0.000 0.320 316 F C 0.484 175.994 175.800 -0.483 0.000 1.060 316 F CA -0.516 57.271 58.000 -0.354 0.000 0.940 316 F CB 2.409 41.336 39.000 -0.123 0.000 1.268 316 F HN 0.808 nan 8.300 nan 0.000 0.475 317 Q N 1.979 121.661 119.800 -0.196 0.000 2.333 317 Q HA 0.836 4.875 4.340 -0.502 0.000 0.266 317 Q C -1.056 174.817 176.000 -0.212 0.000 1.053 317 Q CA -1.142 54.481 55.803 -0.299 0.000 0.890 317 Q CB 2.647 31.142 28.738 -0.404 0.000 1.337 317 Q HN 0.472 nan 8.270 nan 0.000 0.474 318 R N -0.263 120.145 120.500 -0.154 0.000 2.817 318 R HA 0.596 4.635 4.340 -0.502 0.000 0.268 318 R C -1.141 175.173 176.300 0.023 0.000 1.027 318 R CA -0.825 55.247 56.100 -0.046 0.000 0.928 318 R CB 2.133 32.467 30.300 0.056 0.000 1.228 318 R HN 0.821 nan 8.270 nan 0.000 0.469 319 T N 0.624 115.222 114.554 0.074 0.000 2.812 319 T HA 0.517 4.566 4.350 -0.502 0.000 0.282 319 T C -0.334 174.437 174.700 0.119 0.000 0.990 319 T CA -0.610 61.550 62.100 0.100 0.000 0.960 319 T CB 1.815 70.710 68.868 0.046 0.000 0.948 319 T HN 0.632 nan 8.240 nan 0.000 0.438 320 A N 3.026 125.928 122.820 0.137 0.000 2.488 320 A HA 0.448 4.467 4.320 -0.502 0.000 0.249 320 A C 1.026 178.577 177.584 -0.055 0.000 1.083 320 A CA -0.281 51.713 52.037 -0.071 0.000 0.768 320 A CB -0.104 18.883 19.000 -0.022 0.000 1.017 320 A HN 0.985 nan 8.150 nan 0.000 0.496 321 L N 1.562 122.710 121.223 -0.124 0.000 2.585 321 L HA 0.197 4.236 4.340 -0.502 0.000 0.226 321 L C 1.111 177.949 176.870 -0.054 0.000 1.113 321 L CA 0.351 55.156 54.840 -0.058 0.000 0.876 321 L CB -0.409 41.619 42.059 -0.052 0.000 1.072 321 L HN 0.939 nan 8.230 nan 0.000 0.468 322 R N -2.238 118.210 120.500 -0.087 0.000 2.734 322 R HA 0.363 4.402 4.340 -0.502 0.000 0.271 322 R C -1.486 174.799 176.300 -0.024 0.000 1.021 322 R CA -0.976 55.099 56.100 -0.043 0.000 0.893 322 R CB 0.860 31.137 30.300 -0.038 0.000 1.244 322 R HN -0.284 nan 8.270 nan 0.000 0.464 323 D N 0.845 121.252 120.400 0.011 0.000 2.443 323 D HA 0.101 4.440 4.640 -0.502 0.000 0.239 323 D C -1.087 175.256 176.300 0.071 0.000 1.136 323 D CA 0.924 54.948 54.000 0.041 0.000 0.879 323 D CB 0.418 41.230 40.800 0.021 0.000 1.195 323 D HN 0.445 nan 8.370 nan 0.000 0.443 324 Y N 0.118 120.381 120.300 -0.062 0.000 2.399 324 Y HA 0.138 4.387 4.550 -0.501 0.000 0.327 324 Y C -0.878 175.012 175.900 -0.016 0.000 1.111 324 Y CA -0.830 57.234 58.100 -0.061 0.000 1.047 324 Y CB 1.455 39.845 38.460 -0.116 0.000 1.259 324 Y HN 0.288 nan 8.280 nan 0.000 0.434 325 E N 6.092 126.129 120.200 -0.270 0.000 2.105 325 E HA 0.359 4.408 4.350 -0.502 0.000 0.285 325 E C -1.843 174.713 176.600 -0.073 0.000 1.055 325 E CA -0.672 55.642 56.400 -0.142 0.000 0.843 325 E CB 0.773 30.370 29.700 -0.172 0.000 1.067 325 E HN 0.575 nan 8.360 nan 0.000 0.398 326 L N 4.197 125.486 121.223 0.109 0.000 2.298 326 L HA 0.277 4.316 4.340 -0.502 0.000 0.284 326 L C -0.341 176.547 176.870 0.031 0.000 1.013 326 L CA 0.098 55.042 54.840 0.174 0.000 0.824 326 L CB 1.315 43.491 42.059 0.195 0.000 1.221 326 L HN 0.632 nan 8.230 nan 0.000 0.418 327 S N 4.243 119.963 115.700 0.033 0.000 3.491 327 S HA -0.154 4.014 4.470 -0.502 0.000 0.371 327 S C 1.184 175.780 174.600 -0.006 0.000 0.980 327 S CA 1.217 59.425 58.200 0.013 0.000 1.204 327 S CB -1.711 61.502 63.200 0.023 0.000 0.915 327 S HN 1.793 nan 8.310 nan 0.000 0.482 328 G N -1.873 106.913 108.800 -0.022 0.000 2.162 328 G HA2 -0.280 3.379 3.960 -0.502 0.000 0.260 328 G HA3 -0.280 3.379 3.960 -0.502 0.000 0.260 328 G C 0.067 174.941 174.900 -0.043 0.000 0.976 328 G CA 0.101 45.185 45.100 -0.028 0.000 0.655 328 G HN 1.182 nan 8.290 nan 0.000 0.533 329 V N 1.469 121.333 119.914 -0.084 0.000 2.459 329 V HA 0.441 4.260 4.120 -0.502 0.000 0.295 329 V C 0.142 176.128 176.094 -0.180 0.000 1.029 329 V CA -0.906 61.291 62.300 -0.173 0.000 0.874 329 V CB 1.867 33.485 31.823 -0.342 0.000 0.985 329 V HN 0.288 nan 8.190 nan 0.000 0.438 330 Q N 4.563 124.285 119.800 -0.130 0.000 2.452 330 Q HA 0.339 4.377 4.340 -0.502 0.000 0.230 330 Q C -0.329 175.648 176.000 -0.038 0.000 1.180 330 Q CA -0.266 55.505 55.803 -0.054 0.000 0.914 330 Q CB 0.742 29.479 28.738 -0.002 0.000 1.408 330 Q HN 0.482 nan 8.270 nan 0.000 0.520 331 I N 2.309 122.856 120.570 -0.037 0.000 2.634 331 I HA 0.113 3.982 4.170 -0.502 0.000 0.284 331 I C 0.726 176.948 176.117 0.176 0.000 1.124 331 I CA 0.028 61.379 61.300 0.084 0.000 1.417 331 I CB 0.194 38.287 38.000 0.155 0.000 1.396 331 I HN 0.118 nan 8.210 nan 0.000 0.571 332 K N 4.663 125.214 120.400 0.253 0.000 2.203 332 K HA 0.277 4.296 4.320 -0.502 0.000 0.251 332 K C -0.206 176.483 176.600 0.148 0.000 0.944 332 K CA -1.143 55.241 56.287 0.161 0.000 0.829 332 K CB 1.628 34.208 32.500 0.133 0.000 1.125 332 K HN 0.417 nan 8.250 nan 0.000 0.430 333 K N 0.422 120.873 120.400 0.085 0.000 2.477 333 K HA -0.089 3.930 4.320 -0.502 0.000 0.275 333 K C 0.734 177.387 176.600 0.088 0.000 1.054 333 K CA 1.657 57.981 56.287 0.062 0.000 1.135 333 K CB -0.291 32.230 32.500 0.035 0.000 0.854 333 K HN 0.817 nan 8.250 nan 0.000 0.484 334 G N 2.668 111.526 108.800 0.095 0.000 2.254 334 G HA2 -0.256 3.403 3.960 -0.502 0.000 0.225 334 G HA3 -0.256 3.403 3.960 -0.502 0.000 0.225 334 G C -0.155 174.840 174.900 0.158 0.000 1.003 334 G CA -0.065 45.101 45.100 0.110 0.000 0.622 334 G HN 0.632 nan 8.290 nan 0.000 0.507 335 Q N 0.689 120.622 119.800 0.222 0.000 2.299 335 Q HA 0.580 4.619 4.340 -0.502 0.000 0.246 335 Q C 0.488 176.675 176.000 0.312 0.000 0.935 335 Q CA -0.323 55.677 55.803 0.328 0.000 0.887 335 Q CB 0.889 29.932 28.738 0.508 0.000 1.223 335 Q HN 0.395 nan 8.270 nan 0.000 0.439 336 R N 0.537 121.197 120.500 0.266 0.000 2.459 336 R HA 0.407 4.445 4.340 -0.502 0.000 0.281 336 R C -0.575 175.897 176.300 0.287 0.000 1.050 336 R CA -0.494 55.698 56.100 0.153 0.000 1.055 336 R CB 0.948 31.221 30.300 -0.045 0.000 1.045 336 R HN 0.437 nan 8.270 nan 0.000 0.495 337 V N -0.658 119.360 119.914 0.173 0.000 2.540 337 V HA 0.562 4.381 4.120 -0.502 0.000 0.302 337 V C -0.412 175.627 176.094 -0.092 0.000 1.035 337 V CA -0.894 61.507 62.300 0.168 0.000 0.873 337 V CB 1.967 33.829 31.823 0.066 0.000 0.992 337 V HN 0.374 nan 8.190 nan 0.000 0.428 338 V N 5.936 125.767 119.914 -0.138 0.000 2.357 338 V HA 0.444 4.263 4.120 -0.502 0.000 0.284 338 V C 0.225 175.950 176.094 -0.615 0.000 1.018 338 V CA -0.411 61.554 62.300 -0.559 0.000 0.841 338 V CB 1.557 32.772 31.823 -1.014 0.000 0.991 338 V HN 0.956 nan 8.190 nan 0.000 0.437 339 M N 5.614 124.814 119.600 -0.668 0.000 2.193 339 M HA 0.397 4.576 4.480 -0.502 0.000 0.342 339 M C -0.890 174.840 176.300 -0.950 0.000 1.413 339 M CA 0.037 54.942 55.300 -0.658 0.000 1.191 339 M CB 0.170 32.370 32.600 -0.666 0.000 1.633 339 M HN 0.461 nan 8.290 nan 0.000 0.458 340 F N 3.293 123.005 119.950 -0.397 0.000 2.515 340 F HA 0.176 4.399 4.527 -0.506 0.000 0.353 340 F C 0.496 176.060 175.800 -0.394 0.000 1.213 340 F CA -0.293 57.454 58.000 -0.422 0.000 1.194 340 F CB -0.397 38.335 39.000 -0.448 0.000 1.488 340 F HN 0.492 nan 8.300 nan 0.000 0.619 341 Y N 0.154 120.389 120.300 -0.108 0.000 2.241 341 Y HA -0.264 3.985 4.550 -0.503 0.000 0.286 341 Y C 2.485 178.325 175.900 -0.099 0.000 1.166 341 Y CA 1.112 59.162 58.100 -0.084 0.000 1.203 341 Y CB -0.559 37.843 38.460 -0.096 0.000 0.977 341 Y HN 0.336 nan 8.280 nan 0.000 0.529 342 R N 0.269 120.754 120.500 -0.025 0.000 2.120 342 R HA -0.116 3.923 4.340 -0.502 0.000 0.234 342 R C 2.382 178.522 176.300 -0.267 0.000 1.123 342 R CA 1.631 57.660 56.100 -0.118 0.000 0.975 342 R CB -0.778 29.462 30.300 -0.099 0.000 0.866 342 R HN 0.222 nan 8.270 nan 0.000 0.446 343 S N -0.814 114.555 115.700 -0.551 0.000 2.388 343 S HA 0.111 4.280 4.470 -0.502 0.000 0.223 343 S C 1.937 176.523 174.600 -0.023 0.000 1.034 343 S CA 0.708 58.673 58.200 -0.391 0.000 0.963 343 S CB -0.361 62.506 63.200 -0.554 0.000 0.827 343 S HN 0.468 nan 8.310 nan 0.000 0.481 344 A N 2.094 124.924 122.820 0.015 0.000 1.933 344 A HA -0.075 3.944 4.320 -0.502 0.000 0.218 344 A C 1.837 179.553 177.584 0.219 0.000 1.175 344 A CA 1.724 53.840 52.037 0.131 0.000 0.628 344 A CB -0.884 18.207 19.000 0.152 0.000 0.814 344 A HN 0.595 nan 8.150 nan 0.000 0.444 345 N N -1.259 117.515 118.700 0.123 0.000 2.609 345 N HA -0.001 4.438 4.740 -0.502 0.000 0.190 345 N C -0.093 174.968 175.510 -0.749 0.000 1.157 345 N CA 0.751 53.700 53.050 -0.169 0.000 0.918 345 N CB -0.315 38.058 38.487 -0.189 0.000 0.978 345 N HN 0.554 nan 8.380 nan 0.000 0.448 346 F N -0.527 119.258 119.950 -0.276 0.000 2.805 346 F HA 0.177 4.385 4.527 -0.532 0.000 0.317 346 F C 0.466 176.242 175.800 -0.041 0.000 1.146 346 F CA -0.952 56.818 58.000 -0.384 0.000 1.265 346 F CB 0.496 39.088 39.000 -0.680 0.000 0.992 346 F HN -0.238 nan 8.300 nan 0.000 0.511 347 D N 1.584 122.155 120.400 0.285 0.000 2.342 347 D HA -0.003 4.336 4.640 -0.502 0.000 0.260 347 D C 1.054 177.507 176.300 0.256 0.000 1.278 347 D CA 0.437 54.594 54.000 0.261 0.000 0.910 347 D CB 0.918 41.847 40.800 0.215 0.000 1.079 347 D HN 0.286 nan 8.370 nan 0.000 0.496 348 E N 2.376 122.701 120.200 0.209 0.000 2.267 348 E HA -0.173 3.876 4.350 -0.502 0.000 0.197 348 E C 1.211 177.881 176.600 0.115 0.000 0.998 348 E CA 1.012 57.522 56.400 0.184 0.000 0.830 348 E CB 0.109 29.920 29.700 0.184 0.000 0.751 348 E HN 0.634 nan 8.360 nan 0.000 0.491 349 E N -0.518 119.729 120.200 0.079 0.000 2.435 349 E HA -0.007 4.042 4.350 -0.502 0.000 0.195 349 E C 1.242 177.819 176.600 -0.039 0.000 1.029 349 E CA 0.253 56.669 56.400 0.026 0.000 0.865 349 E CB 0.506 30.221 29.700 0.025 0.000 0.833 349 E HN 0.096 nan 8.360 nan 0.000 0.510 350 V N -0.104 119.754 119.914 -0.093 0.000 2.854 350 V HA 0.078 3.897 4.120 -0.502 0.000 0.236 350 V C 0.294 176.134 176.094 -0.424 0.000 1.157 350 V CA 0.465 62.569 62.300 -0.327 0.000 1.187 350 V CB 0.169 31.654 31.823 -0.564 0.000 0.949 350 V HN 0.027 nan 8.190 nan 0.000 0.488 351 F N 1.004 120.935 119.950 -0.031 0.000 2.394 351 F HA 0.475 4.712 4.527 -0.483 0.000 0.340 351 F C 0.649 176.439 175.800 -0.017 0.000 1.105 351 F CA -0.655 57.316 58.000 -0.048 0.000 1.124 351 F CB 0.463 39.392 39.000 -0.117 0.000 1.145 351 F HN 0.037 nan 8.300 nan 0.000 0.505 352 Q N 2.950 122.845 119.800 0.159 0.000 2.281 352 Q HA 0.081 4.119 4.340 -0.502 0.000 0.267 352 Q C -0.731 175.351 176.000 0.136 0.000 1.053 352 Q CA -0.098 55.776 55.803 0.118 0.000 0.905 352 Q CB 0.193 28.978 28.738 0.078 0.000 1.195 352 Q HN 0.519 nan 8.270 nan 0.000 0.398 353 D N 3.254 123.743 120.400 0.148 0.000 2.802 353 D HA -0.160 4.179 4.640 -0.502 0.000 0.229 353 D C -1.760 174.640 176.300 0.167 0.000 1.203 353 D CA 0.307 54.414 54.000 0.180 0.000 0.712 353 D CB -0.539 40.356 40.800 0.158 0.000 0.973 353 D HN 0.509 nan 8.370 nan 0.000 0.407 354 P HA -0.170 nan 4.420 nan 0.000 0.221 354 P C 1.322 178.563 177.300 -0.099 0.000 1.145 354 P CA 0.802 63.801 63.100 -0.168 0.000 0.795 354 P CB -0.059 31.448 31.700 -0.322 0.000 0.775 355 F N -0.354 119.794 119.950 0.329 0.000 2.804 355 F HA 0.143 4.368 4.527 -0.504 0.000 0.303 355 F C 1.451 177.589 175.800 0.565 0.000 1.154 355 F CA 0.444 58.721 58.000 0.462 0.000 1.401 355 F CB -0.320 38.856 39.000 0.292 0.000 1.106 355 F HN -0.134 nan 8.300 nan 0.000 0.568 356 T N -0.367 114.497 114.554 0.516 0.000 2.885 356 T HA 0.370 4.419 4.350 -0.502 0.000 0.285 356 T C -1.084 173.670 174.700 0.091 0.000 1.019 356 T CA -0.536 61.775 62.100 0.351 0.000 1.010 356 T CB 0.741 69.749 68.868 0.233 0.000 1.022 356 T HN -0.052 nan 8.240 nan 0.000 0.466 357 F N 5.412 124.974 119.950 -0.647 0.000 2.391 357 F HA 0.617 5.024 4.527 -0.200 0.000 0.359 357 F C -0.132 175.316 175.800 -0.587 0.000 1.122 357 F CA -1.030 56.358 58.000 -1.020 0.000 1.120 357 F CB 0.583 38.334 39.000 -2.082 0.000 1.142 357 F HN 0.507 nan 8.300 nan 0.000 0.483 358 N N 7.207 125.446 118.700 -0.768 0.000 2.617 358 N HA 0.156 4.594 4.740 -0.502 0.000 0.263 358 N C 0.681 175.833 175.510 -0.596 0.000 1.074 358 N CA -0.590 52.146 53.050 -0.523 0.000 0.841 358 N CB 0.508 38.852 38.487 -0.238 0.000 1.221 358 N HN 0.712 nan 8.380 nan 0.000 0.529 359 I N 0.222 120.403 120.570 -0.649 0.000 2.850 359 I HA -0.063 3.805 4.170 -0.502 0.000 0.266 359 I C 0.319 176.335 176.117 -0.168 0.000 1.257 359 I CA 1.048 62.090 61.300 -0.430 0.000 1.465 359 I CB -0.008 37.892 38.000 -0.166 0.000 1.091 359 I HN 0.355 nan 8.210 nan 0.000 0.467 360 L N 0.926 122.069 121.223 -0.134 0.000 2.592 360 L HA 0.233 4.272 4.340 -0.502 0.000 0.227 360 L C 1.255 178.093 176.870 -0.052 0.000 1.127 360 L CA -0.217 54.587 54.840 -0.061 0.000 0.884 360 L CB -0.447 41.588 42.059 -0.040 0.000 1.065 360 L HN 0.201 nan 8.230 nan 0.000 0.457 361 R N 2.312 122.761 120.500 -0.086 0.000 2.486 361 R HA -0.061 3.977 4.340 -0.502 0.000 0.303 361 R C -0.534 175.771 176.300 0.009 0.000 0.958 361 R CA 0.585 56.663 56.100 -0.036 0.000 1.077 361 R CB 0.049 30.320 30.300 -0.048 0.000 0.921 361 R HN 0.146 nan 8.270 nan 0.000 0.406 362 N N 4.286 122.998 118.700 0.021 0.000 2.718 362 N HA 0.274 4.713 4.740 -0.502 0.000 0.260 362 N C -2.722 172.800 175.510 0.020 0.000 1.089 362 N CA -1.159 51.909 53.050 0.029 0.000 1.021 362 N CB 1.149 39.649 38.487 0.022 0.000 1.618 362 N HN 0.366 nan 8.380 nan 0.000 0.554 363 P HA 0.231 nan 4.420 nan 0.000 0.269 363 P C -0.991 176.346 177.300 0.062 0.000 1.217 363 P CA -0.101 63.014 63.100 0.025 0.000 0.783 363 P CB 0.414 32.110 31.700 -0.007 0.000 0.898 364 N N 1.566 120.328 118.700 0.103 0.000 2.716 364 N HA 0.180 4.619 4.740 -0.502 0.000 0.253 364 N C -2.517 173.132 175.510 0.232 0.000 1.170 364 N CA -1.697 51.486 53.050 0.221 0.000 0.807 364 N CB 0.848 39.478 38.487 0.239 0.000 1.183 364 N HN 0.160 nan 8.380 nan 0.000 0.524 365 P HA 0.128 nan 4.420 nan 0.000 0.228 365 P C -0.333 177.057 177.300 0.150 0.000 1.764 365 P CA -0.247 62.860 63.100 0.013 0.000 0.929 365 P CB -0.921 30.689 31.700 -0.150 0.000 1.675 366 H N -0.991 118.295 119.070 0.360 0.000 2.836 366 H HA 0.197 4.465 4.556 -0.481 0.000 0.368 366 H C 0.697 176.140 175.328 0.191 0.000 1.164 366 H CA -0.691 55.554 56.048 0.328 0.000 1.425 366 H CB 0.524 30.328 29.762 0.071 0.000 1.414 366 H HN -0.091 nan 8.280 nan 0.000 0.614 367 V N 0.506 120.563 119.914 0.238 0.000 3.043 367 V HA 0.395 4.213 4.120 -0.502 0.000 0.357 367 V C 1.587 177.643 176.094 -0.064 0.000 1.372 367 V CA 0.170 62.541 62.300 0.118 0.000 1.214 367 V CB -0.015 31.927 31.823 0.200 0.000 1.224 367 V HN 0.988 nan 8.190 nan 0.000 0.507 368 G N 0.511 109.387 108.800 0.127 0.000 2.448 368 G HA2 -0.132 3.527 3.960 -0.502 0.000 0.219 368 G HA3 -0.132 3.527 3.960 -0.502 0.000 0.219 368 G C 0.829 175.438 174.900 -0.485 0.000 1.127 368 G CA 0.839 45.784 45.100 -0.258 0.000 0.766 368 G HN 0.575 nan 8.290 nan 0.000 0.552 369 F N 1.160 121.037 119.950 -0.120 0.000 2.660 369 F HA 0.454 4.687 4.527 -0.490 0.000 0.302 369 F C 1.401 176.937 175.800 -0.439 0.000 1.103 369 F CA -0.046 57.757 58.000 -0.330 0.000 1.340 369 F CB 0.193 38.921 39.000 -0.453 0.000 1.048 369 F HN 0.332 nan 8.300 nan 0.000 0.551 370 G N -0.404 108.243 108.800 -0.255 0.000 2.555 370 G HA2 0.227 3.885 3.960 -0.502 0.000 0.686 370 G HA3 0.227 3.885 3.960 -0.502 0.000 0.686 370 G C -0.106 174.928 174.900 0.223 0.000 1.275 370 G CA -0.868 44.173 45.100 -0.098 0.000 0.871 370 G HN 0.479 nan 8.290 nan 0.000 0.603 371 G N -0.350 108.622 108.800 0.287 0.000 2.444 371 G HA2 0.636 4.295 3.960 -0.502 0.000 0.268 371 G HA3 0.636 4.295 3.960 -0.502 0.000 0.268 371 G C 0.557 175.597 174.900 0.233 0.000 1.203 371 G CA 0.682 45.918 45.100 0.227 0.000 0.835 371 G HN 1.264 nan 8.290 nan 0.000 0.543 372 T N 0.568 115.164 114.554 0.070 0.000 2.933 372 T HA 0.447 4.496 4.350 -0.502 0.000 0.306 372 T C 0.839 175.549 174.700 0.015 0.000 1.045 372 T CA 1.130 63.187 62.100 -0.071 0.000 1.143 372 T CB 0.583 69.355 68.868 -0.160 0.000 1.003 372 T HN 1.379 nan 8.240 nan 0.000 0.540 373 G N 0.496 109.319 108.800 0.038 0.000 2.327 373 G HA2 0.477 4.136 3.960 -0.502 0.000 0.291 373 G HA3 0.477 4.136 3.960 -0.502 0.000 0.291 373 G C 0.552 175.498 174.900 0.076 0.000 1.290 373 G CA -0.114 45.015 45.100 0.049 0.000 0.857 373 G HN 0.682 nan 8.290 nan 0.000 0.520 374 A N -1.045 121.793 122.820 0.031 0.000 2.019 374 A HA 0.041 4.060 4.320 -0.502 0.000 0.219 374 A C 1.511 179.069 177.584 -0.045 0.000 1.164 374 A CA 2.082 54.105 52.037 -0.023 0.000 0.644 374 A CB -0.563 18.352 19.000 -0.142 0.000 0.805 374 A HN 0.649 nan 8.150 nan 0.000 0.449 375 H N -3.216 115.880 119.070 0.043 0.000 2.549 375 H HA 0.093 4.347 4.556 -0.503 0.000 0.279 375 H C -0.352 175.035 175.328 0.098 0.000 1.018 375 H CA -0.454 55.619 56.048 0.041 0.000 1.175 375 H CB -0.196 29.517 29.762 -0.082 0.000 1.485 375 H HN 0.571 nan 8.280 nan 0.000 0.543 376 Y N 2.016 122.381 120.300 0.108 0.000 2.895 376 Y HA -0.148 4.101 4.550 -0.502 0.000 0.334 376 Y C 0.693 176.618 175.900 0.042 0.000 1.261 376 Y CA -0.456 57.689 58.100 0.074 0.000 1.560 376 Y CB 0.217 38.695 38.460 0.031 0.000 1.253 376 Y HN 0.232 nan 8.280 nan 0.000 0.582 377 C N 9.003 127.916 119.300 -0.644 0.000 2.409 377 C HA -0.089 4.069 4.460 -0.502 0.000 0.398 377 C C 1.959 176.717 174.990 -0.388 0.000 1.507 377 C CA 0.152 58.925 59.018 -0.408 0.000 1.460 377 C CB -2.149 25.382 27.740 -0.349 0.000 2.472 377 C HN 1.051 nan 8.230 nan 0.000 0.614 378 I N 4.674 125.061 120.570 -0.306 0.000 2.761 378 I HA 0.084 3.953 4.170 -0.502 0.000 0.261 378 I C 2.066 177.817 176.117 -0.610 0.000 1.198 378 I CA 1.556 62.593 61.300 -0.438 0.000 1.482 378 I CB -0.074 37.596 38.000 -0.550 0.000 1.100 378 I HN 0.915 nan 8.210 nan 0.000 0.445 379 G N -0.338 108.177 108.800 -0.475 0.000 3.088 379 G HA2 0.069 3.728 3.960 -0.502 0.000 0.212 379 G HA3 0.069 3.728 3.960 -0.502 0.000 0.212 379 G C 1.572 176.361 174.900 -0.186 0.000 1.173 379 G CA 0.494 45.472 45.100 -0.203 0.000 0.779 379 G HN 0.463 nan 8.290 nan 0.000 0.540 380 A N 1.696 124.236 122.820 -0.465 0.000 1.908 380 A HA -0.142 3.876 4.320 -0.502 0.000 0.218 380 A C 2.294 179.619 177.584 -0.432 0.000 1.181 380 A CA 1.689 53.133 52.037 -0.987 0.000 0.627 380 A CB -0.317 17.878 19.000 -1.342 0.000 0.818 380 A HN 0.345 nan 8.150 nan 0.000 0.445 381 N N -0.358 118.248 118.700 -0.156 0.000 2.188 381 N HA -0.110 4.328 4.740 -0.502 0.000 0.184 381 N C 1.581 177.138 175.510 0.079 0.000 1.018 381 N CA 1.337 54.389 53.050 0.003 0.000 0.858 381 N CB -0.505 38.017 38.487 0.058 0.000 0.989 381 N HN 0.410 nan 8.380 nan 0.000 0.426 382 L N 1.353 122.645 121.223 0.115 0.000 2.046 382 L HA -0.029 4.010 4.340 -0.502 0.000 0.208 382 L C 2.127 179.084 176.870 0.145 0.000 1.077 382 L CA 1.448 56.381 54.840 0.155 0.000 0.747 382 L CB -0.948 41.243 42.059 0.221 0.000 0.896 382 L HN 0.109 nan 8.230 nan 0.000 0.432 383 A N -0.436 122.463 122.820 0.133 0.000 1.877 383 A HA -0.222 3.797 4.320 -0.502 0.000 0.216 383 A C 2.425 180.155 177.584 0.243 0.000 1.186 383 A CA 1.817 53.977 52.037 0.205 0.000 0.620 383 A CB -0.547 18.643 19.000 0.316 0.000 0.822 383 A HN 0.488 nan 8.150 nan 0.000 0.443 384 R N -1.389 119.254 120.500 0.237 0.000 2.081 384 R HA -0.107 3.932 4.340 -0.502 0.000 0.235 384 R C 2.339 178.773 176.300 0.223 0.000 1.131 384 R CA 1.684 57.938 56.100 0.256 0.000 0.960 384 R CB -0.394 30.041 30.300 0.224 0.000 0.856 384 R HN 0.679 nan 8.270 nan 0.000 0.436 385 M N 0.255 119.969 119.600 0.189 0.000 2.117 385 M HA -0.157 4.022 4.480 -0.502 0.000 0.262 385 M C 1.594 178.000 176.300 0.178 0.000 1.065 385 M CA 1.720 57.135 55.300 0.191 0.000 1.114 385 M CB 0.017 32.725 32.600 0.181 0.000 1.361 385 M HN 0.069 nan 8.290 nan 0.000 0.408 386 T N 1.154 115.805 114.554 0.161 0.000 2.708 386 T HA -0.103 3.946 4.350 -0.502 0.000 0.266 386 T C 1.668 176.472 174.700 0.174 0.000 1.037 386 T CA 1.751 63.929 62.100 0.130 0.000 1.146 386 T CB -0.421 68.513 68.868 0.110 0.000 0.865 386 T HN 0.399 nan 8.240 nan 0.000 0.435 387 I N 1.689 122.404 120.570 0.242 0.000 2.127 387 I HA -0.225 3.644 4.170 -0.502 0.000 0.241 387 I C 2.486 178.876 176.117 0.456 0.000 1.075 387 I CA 1.068 62.587 61.300 0.365 0.000 1.334 387 I CB -0.424 37.793 38.000 0.362 0.000 1.040 387 I HN 0.173 nan 8.210 nan 0.000 0.405 388 N N 0.809 119.725 118.700 0.360 0.000 2.120 388 N HA -0.132 4.307 4.740 -0.502 0.000 0.188 388 N C 1.947 177.665 175.510 0.346 0.000 1.024 388 N CA 1.336 54.616 53.050 0.384 0.000 0.852 388 N CB -0.383 38.290 38.487 0.309 0.000 1.003 388 N HN 0.335 nan 8.380 nan 0.000 0.424 389 L N -0.050 121.315 121.223 0.235 0.000 2.093 389 L HA -0.084 3.955 4.340 -0.502 0.000 0.208 389 L C 2.175 179.124 176.870 0.132 0.000 1.085 389 L CA 0.492 55.423 54.840 0.152 0.000 0.755 389 L CB -0.244 41.842 42.059 0.045 0.000 0.904 389 L HN 0.071 nan 8.230 nan 0.000 0.435 390 I N -0.742 119.886 120.570 0.097 0.000 2.353 390 I HA -0.233 3.636 4.170 -0.502 0.000 0.248 390 I C 2.088 178.173 176.117 -0.053 0.000 1.119 390 I CA 1.519 62.796 61.300 -0.037 0.000 1.417 390 I CB -0.197 37.711 38.000 -0.152 0.000 1.078 390 I HN -0.009 nan 8.210 nan 0.000 0.421 391 F N 0.666 120.750 119.950 0.223 0.000 2.234 391 F HA -0.147 4.078 4.527 -0.503 0.000 0.299 391 F C 2.426 178.472 175.800 0.410 0.000 1.087 391 F CA 1.165 59.322 58.000 0.262 0.000 1.340 391 F CB -0.851 38.207 39.000 0.096 0.000 1.031 391 F HN 0.150 nan 8.300 nan 0.000 0.500 392 N N 0.303 119.317 118.700 0.523 0.000 2.069 392 N HA -0.178 4.261 4.740 -0.502 0.000 0.191 392 N C 2.052 177.720 175.510 0.263 0.000 1.031 392 N CA 1.485 54.760 53.050 0.375 0.000 0.852 392 N CB -0.406 38.234 38.487 0.256 0.000 1.018 392 N HN 0.291 nan 8.380 nan 0.000 0.423 393 A N 0.758 123.705 122.820 0.213 0.000 1.930 393 A HA -0.033 3.986 4.320 -0.502 0.000 0.217 393 A C 2.550 180.284 177.584 0.249 0.000 1.175 393 A CA 0.932 53.098 52.037 0.215 0.000 0.627 393 A CB -0.623 18.449 19.000 0.119 0.000 0.815 393 A HN 0.099 nan 8.150 nan 0.000 0.443 394 V N 0.011 120.049 119.914 0.206 0.000 2.295 394 V HA -0.269 3.550 4.120 -0.502 0.000 0.246 394 V C 3.079 179.423 176.094 0.416 0.000 1.049 394 V CA 1.963 64.424 62.300 0.268 0.000 1.024 394 V CB -1.267 30.695 31.823 0.231 0.000 0.648 394 V HN 0.607 nan 8.190 nan 0.000 0.447 395 A N -0.051 123.053 122.820 0.473 0.000 1.908 395 A HA -0.286 3.733 4.320 -0.502 0.000 0.218 395 A C 1.992 179.629 177.584 0.089 0.000 1.181 395 A CA 2.206 54.386 52.037 0.237 0.000 0.627 395 A CB -0.671 18.404 19.000 0.125 0.000 0.818 395 A HN 0.562 nan 8.150 nan 0.000 0.445 396 D N -1.258 119.177 120.400 0.059 0.000 2.117 396 D HA -0.104 4.235 4.640 -0.502 0.000 0.197 396 D C 1.595 177.743 176.300 -0.254 0.000 0.987 396 D CA 1.382 55.295 54.000 -0.144 0.000 0.829 396 D CB -0.302 40.352 40.800 -0.244 0.000 0.961 396 D HN 0.665 nan 8.370 nan 0.000 0.460 397 H N -1.191 117.921 119.070 0.069 0.000 2.750 397 H HA 0.243 4.496 4.556 -0.505 0.000 0.263 397 H C 0.818 176.188 175.328 0.069 0.000 0.964 397 H CA 0.345 56.418 56.048 0.042 0.000 1.205 397 H CB 0.881 30.640 29.762 -0.005 0.000 1.454 397 H HN 0.200 nan 8.280 nan 0.000 0.503 398 M N -0.259 119.476 119.600 0.225 0.000 3.568 398 M HA 0.329 4.508 4.480 -0.502 0.000 0.386 398 M C -2.724 173.774 176.300 0.330 0.000 1.765 398 M CA -1.536 53.909 55.300 0.242 0.000 0.568 398 M CB 1.682 34.425 32.600 0.238 0.000 1.428 398 M HN -0.292 nan 8.290 nan 0.000 0.493 399 P HA -0.046 nan 4.420 nan 0.000 0.226 399 P C -0.112 177.459 177.300 0.451 0.000 1.153 399 P CA 1.150 64.457 63.100 0.345 0.000 0.777 399 P CB 0.142 31.900 31.700 0.096 0.000 0.794 400 D N 0.184 120.762 120.400 0.297 0.000 2.388 400 D HA 0.110 4.449 4.640 -0.502 0.000 0.221 400 D C 0.957 177.372 176.300 0.192 0.000 1.133 400 D CA -0.174 53.970 54.000 0.240 0.000 0.831 400 D CB -0.203 40.685 40.800 0.148 0.000 0.962 400 D HN 0.289 nan 8.370 nan 0.000 0.502 401 L N -1.079 120.268 121.223 0.206 0.000 2.506 401 L HA 0.249 4.287 4.340 -0.502 0.000 0.281 401 L C -0.177 176.688 176.870 -0.008 0.000 1.228 401 L CA 0.140 55.037 54.840 0.096 0.000 0.850 401 L CB 0.454 42.595 42.059 0.136 0.000 1.110 401 L HN -0.317 nan 8.230 nan 0.000 0.496 402 K N 3.171 123.521 120.400 -0.083 0.000 2.469 402 K HA 0.553 4.572 4.320 -0.502 0.000 0.254 402 K C -2.640 173.821 176.600 -0.232 0.000 0.939 402 K CA -1.840 54.381 56.287 -0.109 0.000 0.812 402 K CB 2.297 34.766 32.500 -0.052 0.000 1.301 402 K HN 0.501 nan 8.250 nan 0.000 0.433 403 P HA 0.135 nan 4.420 nan 0.000 0.272 403 P C 0.039 177.211 177.300 -0.215 0.000 1.223 403 P CA -0.070 62.820 63.100 -0.349 0.000 0.784 403 P CB 0.850 32.551 31.700 0.001 0.000 0.923 404 I N -0.129 120.285 120.570 -0.261 0.000 2.927 404 I HA -0.024 3.845 4.170 -0.502 0.000 0.268 404 I C 1.105 177.187 176.117 -0.059 0.000 1.153 404 I CA 0.939 62.152 61.300 -0.146 0.000 1.459 404 I CB 0.115 38.013 38.000 -0.171 0.000 1.149 404 I HN 0.459 nan 8.210 nan 0.000 0.443 405 S N -0.185 115.503 115.700 -0.021 0.000 2.615 405 S HA 0.728 4.897 4.470 -0.502 0.000 0.269 405 S C -0.528 174.201 174.600 0.214 0.000 1.161 405 S CA -0.918 57.324 58.200 0.070 0.000 0.817 405 S CB 1.430 64.655 63.200 0.042 0.000 1.131 405 S HN 0.092 nan 8.310 nan 0.000 0.467 406 A N 1.330 124.254 122.820 0.172 0.000 2.483 406 A HA 0.619 4.638 4.320 -0.502 0.000 0.238 406 A C -2.467 175.251 177.584 0.223 0.000 1.070 406 A CA -0.851 51.291 52.037 0.175 0.000 0.770 406 A CB -1.215 17.823 19.000 0.064 0.000 1.008 406 A HN 0.628 nan 8.150 nan 0.000 0.497 407 P HA 0.199 nan 4.420 nan 0.000 0.269 407 P C -0.679 176.654 177.300 0.055 0.000 1.215 407 P CA 0.031 63.143 63.100 0.020 0.000 0.780 407 P CB 0.432 31.924 31.700 -0.346 0.000 0.898 408 E N 2.002 122.268 120.200 0.109 0.000 2.109 408 E HA 0.269 4.317 4.350 -0.502 0.000 0.278 408 E C -0.111 176.519 176.600 0.050 0.000 0.954 408 E CA -0.554 55.903 56.400 0.094 0.000 0.779 408 E CB 1.107 30.912 29.700 0.175 0.000 1.093 408 E HN 0.269 nan 8.360 nan 0.000 0.401 409 R N 1.586 122.097 120.500 0.019 0.000 2.560 409 R HA 0.292 4.331 4.340 -0.502 0.000 0.270 409 R C -0.225 176.088 176.300 0.023 0.000 1.074 409 R CA -0.844 55.258 56.100 0.004 0.000 1.140 409 R CB 0.627 30.924 30.300 -0.006 0.000 1.073 409 R HN 0.319 nan 8.270 nan 0.000 0.527 410 L N 1.815 123.044 121.223 0.010 0.000 2.305 410 L HA 0.199 4.238 4.340 -0.502 0.000 0.281 410 L C 0.163 177.048 176.870 0.024 0.000 1.085 410 L CA 0.094 54.948 54.840 0.023 0.000 0.813 410 L CB 0.795 42.837 42.059 -0.028 0.000 1.157 410 L HN 0.417 nan 8.230 nan 0.000 0.436 411 R N 3.719 124.244 120.500 0.043 0.000 2.291 411 R HA 0.382 4.421 4.340 -0.502 0.000 0.333 411 R C -0.889 175.419 176.300 0.012 0.000 1.082 411 R CA 0.243 56.371 56.100 0.046 0.000 0.948 411 R CB 0.069 30.397 30.300 0.048 0.000 1.009 411 R HN 0.769 nan 8.270 nan 0.000 0.460 412 S N 1.760 117.447 115.700 -0.022 0.000 2.537 412 S HA 0.394 4.563 4.470 -0.502 0.000 0.271 412 S C 0.281 174.802 174.600 -0.132 0.000 1.148 412 S CA -0.363 57.752 58.200 -0.141 0.000 0.868 412 S CB 1.609 64.572 63.200 -0.396 0.000 1.115 412 S HN 0.641 nan 8.310 nan 0.000 0.461 413 G N 1.775 110.532 108.800 -0.071 0.000 3.042 413 G HA2 0.216 3.875 3.960 -0.502 0.000 0.212 413 G HA3 0.216 3.875 3.960 -0.502 0.000 0.212 413 G C 0.771 175.621 174.900 -0.082 0.000 1.166 413 G CA 0.428 45.531 45.100 0.004 0.000 0.767 413 G HN 0.841 nan 8.290 nan 0.000 0.546 414 W N -1.599 119.505 121.300 -0.327 0.000 2.396 414 W HA 0.442 4.804 4.660 -0.496 0.000 0.216 414 W C -0.996 175.316 176.519 -0.345 0.000 0.949 414 W CA -0.441 56.698 57.345 -0.344 0.000 1.168 414 W CB 0.063 29.362 29.460 -0.269 0.000 0.829 414 W HN -0.068 nan 8.180 nan 0.000 0.663 415 L N 3.957 124.463 121.223 -1.195 0.000 2.307 415 L HA 0.416 4.455 4.340 -0.502 0.000 0.282 415 L C -0.279 176.250 176.870 -0.568 0.000 1.051 415 L CA -0.418 53.824 54.840 -0.997 0.000 0.804 415 L CB 1.298 42.600 42.059 -1.263 0.000 1.197 415 L HN -0.033 nan 8.230 nan 0.000 0.431 416 N N 3.167 121.646 118.700 -0.368 0.000 2.645 416 N HA 0.501 4.940 4.740 -0.502 0.000 0.233 416 N C -0.557 174.848 175.510 -0.176 0.000 1.058 416 N CA -0.129 52.791 53.050 -0.216 0.000 0.942 416 N CB 0.776 39.182 38.487 -0.135 0.000 1.210 416 N HN 0.721 nan 8.380 nan 0.000 0.512 417 G N 2.272 110.977 108.800 -0.158 0.000 2.448 417 G HA2 0.598 4.257 3.960 -0.502 0.000 0.324 417 G HA3 0.598 4.257 3.960 -0.502 0.000 0.324 417 G C -0.855 173.998 174.900 -0.080 0.000 1.203 417 G CA -0.540 44.482 45.100 -0.130 0.000 0.954 417 G HN 0.454 nan 8.290 nan 0.000 0.480 418 I N 1.727 122.257 120.570 -0.067 0.000 2.355 418 I HA 0.285 4.154 4.170 -0.502 0.000 0.288 418 I C 0.827 176.922 176.117 -0.038 0.000 0.999 418 I CA -0.665 60.608 61.300 -0.045 0.000 1.163 418 I CB 1.605 39.572 38.000 -0.055 0.000 1.316 418 I HN 0.644 nan 8.210 nan 0.000 0.454 419 K N 4.165 124.535 120.400 -0.050 0.000 2.076 419 K HA 0.035 4.054 4.320 -0.502 0.000 0.204 419 K C -0.218 176.093 176.600 -0.482 0.000 1.051 419 K CA 1.061 57.216 56.287 -0.221 0.000 0.949 419 K CB 0.186 32.606 32.500 -0.133 0.000 0.726 419 K HN 0.591 nan 8.250 nan 0.000 0.443 420 H N -2.939 116.231 119.070 0.167 0.000 3.046 420 H HA 0.285 4.540 4.556 -0.501 0.000 0.361 420 H C -1.931 173.577 175.328 0.300 0.000 1.235 420 H CA -0.888 55.283 56.048 0.205 0.000 1.146 420 H CB 1.620 31.472 29.762 0.150 0.000 1.859 420 H HN 0.057 nan 8.280 nan 0.000 0.548 421 W N 2.946 124.371 121.300 0.209 0.000 3.268 421 W HA 0.278 4.662 4.660 -0.460 0.000 0.330 421 W C -1.716 174.864 176.519 0.102 0.000 1.074 421 W CA -0.603 56.810 57.345 0.114 0.000 1.263 421 W CB 1.325 30.823 29.460 0.064 0.000 1.250 421 W HN 0.428 nan 8.180 nan 0.000 0.425 422 Q N 3.826 123.604 119.800 -0.036 0.000 2.288 422 Q HA 0.506 4.545 4.340 -0.502 0.000 0.258 422 Q C -0.697 174.986 176.000 -0.529 0.000 0.957 422 Q CA -0.224 55.452 55.803 -0.212 0.000 0.919 422 Q CB 2.072 30.739 28.738 -0.118 0.000 1.185 422 Q HN 0.335 nan 8.270 nan 0.000 0.408 423 V N 2.257 121.820 119.914 -0.585 0.000 2.789 423 V HA 0.172 3.991 4.120 -0.502 0.000 0.311 423 V C -0.616 175.031 176.094 -0.744 0.000 1.073 423 V CA -0.942 60.908 62.300 -0.750 0.000 0.921 423 V CB 2.366 33.705 31.823 -0.806 0.000 1.009 423 V HN 0.632 nan 8.190 nan 0.000 0.426 424 D N 2.325 122.412 120.400 -0.521 0.000 2.428 424 D HA 0.272 4.611 4.640 -0.502 0.000 0.221 424 D C 0.435 176.560 176.300 -0.291 0.000 1.123 424 D CA -0.213 53.555 54.000 -0.387 0.000 0.869 424 D CB 0.774 41.453 40.800 -0.201 0.000 1.032 424 D HN 0.425 nan 8.370 nan 0.000 0.506 425 Y N 1.452 121.735 120.300 -0.029 0.000 2.384 425 Y HA -0.138 4.105 4.550 -0.512 0.000 0.289 425 Y C 2.608 178.529 175.900 0.035 0.000 1.152 425 Y CA 1.475 59.583 58.100 0.013 0.000 1.258 425 Y CB -0.792 37.682 38.460 0.023 0.000 0.979 425 Y HN 0.499 nan 8.280 nan 0.000 0.549 426 T N -4.472 110.164 114.554 0.137 0.000 3.067 426 T HA 0.269 4.317 4.350 -0.502 0.000 0.257 426 T C 2.014 176.758 174.700 0.074 0.000 1.105 426 T CA 0.565 62.728 62.100 0.106 0.000 1.104 426 T CB -0.440 68.472 68.868 0.073 0.000 0.925 426 T HN 0.463 nan 8.240 nan 0.000 0.498 427 G N 1.878 110.703 108.800 0.041 0.000 2.186 427 G HA2 -0.359 3.300 3.960 -0.502 0.000 0.266 427 G HA3 -0.359 3.300 3.960 -0.502 0.000 0.266 427 G C 1.091 176.003 174.900 0.020 0.000 0.982 427 G CA 0.677 45.794 45.100 0.028 0.000 0.670 427 G HN 0.577 nan 8.290 nan 0.000 0.533 428 R N -0.809 119.700 120.500 0.016 0.000 2.210 428 R HA 0.276 4.315 4.340 -0.502 0.000 0.203 428 R C 1.400 177.700 176.300 -0.001 0.000 1.010 428 R CA 0.054 56.162 56.100 0.013 0.000 1.008 428 R CB 0.011 30.322 30.300 0.018 0.000 0.923 428 R HN 0.436 nan 8.270 nan 0.000 0.469 429 L N 3.120 124.333 121.223 -0.016 0.000 2.467 429 L HA 0.130 4.169 4.340 -0.502 0.000 0.270 429 L C -1.743 175.115 176.870 -0.020 0.000 1.205 429 L CA -1.741 53.085 54.840 -0.024 0.000 0.828 429 L CB -0.084 41.949 42.059 -0.043 0.000 1.101 429 L HN -0.060 nan 8.230 nan 0.000 0.479 430 P HA 0.269 nan 4.420 nan 0.000 0.275 430 P C -0.293 176.996 177.300 -0.018 0.000 1.228 430 P CA -0.018 63.074 63.100 -0.013 0.000 0.786 430 P CB 1.456 33.150 31.700 -0.010 0.000 0.927 431 V N 0.000 119.907 119.914 -0.012 0.000 2.409 431 V HA 0.000 3.819 4.120 -0.502 0.000 0.244 431 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 431 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556