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 2cn2_1_A DATA FIRST_RESID 33 DATA SEQUENCE VTSVPYKWDN VVIGGGGGFX PGIVFNETEK DLIYARADIG GAYRWDPSTE DATA SEQUENCE TWIPLLDHFQ XDEYSYYGVE SIATDPVDPN RVYIVAGXYT NDWLPNXGAI DATA SEQUENCE LRSTDRGETW EKTILPFKXG GNXPGRSXGE RLAIDPNDNR ILYLGTRCGN DATA SEQUENCE GLWRSTDYGV TWSKVESFPN PGTXXXXXXX XXXXXIIGVV WVVFDKSSST DATA SEQUENCE PGNPTKTIYV GVADKNESIY RSTDGGVTWK AVPGQPKGLL PHHGVLASNG DATA SEQUENCE XLYITYGDXX XXXXXXGKGQ VWKFNTRTGE WIDITPIPYS SSDNRFCFAG DATA SEQUENCE LAVDRQNPDI IXVTSXNAWW PDEYIFRSTD GGATWKNIWE WGXYPERILH DATA SEQUENCE YEIDISAAPW LDWGTEKQLP EINPKLGWXI GDIEIDPFNS DRXXYVTGAT DATA SEQUENCE IYGCDNLTDW DRGGKVKIEV KATGIEECAV LDLVSPPEGA PLVSAVGDLV DATA SEQUENCE GFVHDDLKVG PKKXHVPSYS SGTGIDYAEL VPNFXALVAK AXXXXVKKIS DATA SEQUENCE FSYDGGRNWF QPPNEAPNSV GGGSVAVAAD AKSVIWTPEN ASPAVTTDNG DATA SEQUENCE NSWKVCTNLG XGAVVASDRV NGKKFYAFYN GKFYISTDGG LTFTDTKAPQ DATA SEQUENCE LPKSVNKIKA VPGKEGHVWL AAREGGLWRS TDGGYTFEKL SNVDTAHVVG DATA SEQUENCE FGKAAPGQDY XAIYITGKID NVLGFFRSDD AGKTWVRIND DEHGYGAVDT DATA SEQUENCE AITGDPRVYG RVYIATNGRG IVYGEPAS 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.176 176.094 0.136 0.000 1.182 33 V CA 0.000 62.370 62.300 0.116 0.000 1.235 33 V CB 0.000 31.897 31.823 0.124 0.000 1.184 34 T N 3.609 118.246 114.554 0.138 0.000 2.847 34 T HA 0.779 5.129 4.350 -0.001 0.000 0.279 34 T C 0.151 174.941 174.700 0.151 0.000 0.984 34 T CA -0.260 61.914 62.100 0.124 0.000 0.988 34 T CB 1.610 70.539 68.868 0.102 0.000 1.040 34 T HN 0.879 nan 8.240 nan 0.000 0.528 35 S N 0.150 115.926 115.700 0.125 0.000 2.578 35 S HA 0.711 5.180 4.470 -0.001 0.000 0.301 35 S C -0.265 174.414 174.600 0.131 0.000 1.091 35 S CA -0.810 57.466 58.200 0.126 0.000 1.032 35 S CB 1.472 64.731 63.200 0.099 0.000 1.064 35 S HN 1.056 nan 8.310 nan 0.000 0.508 36 V N -0.065 119.943 119.914 0.157 0.000 2.680 36 V HA 0.720 4.840 4.120 -0.001 0.000 0.309 36 V C -2.817 173.422 176.094 0.242 0.000 1.052 36 V CA -2.763 59.651 62.300 0.189 0.000 0.908 36 V CB 1.246 33.207 31.823 0.230 0.000 1.001 36 V HN 0.681 nan 8.190 nan 0.000 0.431 37 P HA 0.332 nan 4.420 nan 0.000 0.271 37 P C -1.595 175.824 177.300 0.199 0.000 1.220 37 P CA 0.339 63.539 63.100 0.167 0.000 0.768 37 P CB 0.373 32.120 31.700 0.079 0.000 0.848 38 Y N 1.203 121.465 120.300 -0.063 0.000 2.562 38 Y HA 0.436 4.986 4.550 -0.000 0.000 0.343 38 Y C 0.712 176.380 175.900 -0.387 0.000 1.025 38 Y CA -0.864 57.062 58.100 -0.290 0.000 1.082 38 Y CB 2.466 40.669 38.460 -0.428 0.000 1.264 38 Y HN 0.243 nan 8.280 nan 0.000 0.478 39 K N 2.612 122.711 120.400 -0.502 0.000 2.293 39 K HA 0.349 4.669 4.320 -0.001 0.000 0.267 39 K C -1.902 174.340 176.600 -0.595 0.000 1.010 39 K CA -0.329 55.715 56.287 -0.406 0.000 0.875 39 K CB 0.632 32.942 32.500 -0.318 0.000 1.106 39 K HN 0.634 nan 8.250 nan 0.000 0.450 40 W N 2.915 124.092 121.300 -0.205 0.000 2.551 40 W HA 0.367 5.026 4.660 -0.000 0.000 0.330 40 W C -0.127 176.329 176.519 -0.104 0.000 1.063 40 W CA -0.173 57.080 57.345 -0.154 0.000 1.222 40 W CB 1.620 31.062 29.460 -0.030 0.000 1.349 40 W HN 0.576 nan 8.180 nan 0.000 0.536 41 D N 0.647 121.069 120.400 0.036 0.000 2.639 41 D HA 0.187 4.827 4.640 -0.001 0.000 0.271 41 D C -1.181 175.190 176.300 0.119 0.000 1.254 41 D CA -0.648 53.379 54.000 0.044 0.000 0.810 41 D CB 1.463 42.212 40.800 -0.085 0.000 1.351 41 D HN 0.173 nan 8.370 nan 0.000 0.427 42 N N 0.259 119.077 118.700 0.198 0.000 2.514 42 N HA 0.246 4.985 4.740 -0.001 0.000 0.277 42 N C -0.467 175.218 175.510 0.293 0.000 1.126 42 N CA -0.204 52.965 53.050 0.199 0.000 0.978 42 N CB 1.467 40.048 38.487 0.157 0.000 1.106 42 N HN 0.145 nan 8.380 nan 0.000 0.461 43 V N 2.565 122.606 119.914 0.212 0.000 2.572 43 V HA 0.015 4.134 4.120 -0.001 0.000 0.291 43 V C 0.536 176.627 176.094 -0.005 0.000 1.039 43 V CA -0.427 61.871 62.300 -0.004 0.000 1.055 43 V CB 0.988 32.675 31.823 -0.227 0.000 0.969 43 V HN 0.281 nan 8.190 nan 0.000 0.482 44 V N 7.283 127.205 119.914 0.013 0.000 2.439 44 V HA 0.151 4.271 4.120 -0.001 0.000 0.271 44 V C 0.979 177.073 176.094 -0.001 0.000 1.040 44 V CA 0.346 62.665 62.300 0.032 0.000 1.002 44 V CB 0.581 32.430 31.823 0.044 0.000 1.000 44 V HN 0.749 nan 8.190 nan 0.000 0.477 45 I N 3.052 123.598 120.570 -0.040 0.000 2.628 45 I HA 0.376 4.546 4.170 -0.001 0.000 0.255 45 I C 1.204 177.309 176.117 -0.020 0.000 1.119 45 I CA 1.059 62.229 61.300 -0.218 0.000 1.448 45 I CB 0.067 37.905 38.000 -0.271 0.000 1.133 45 I HN 0.906 nan 8.210 nan 0.000 0.438 46 G N 0.103 108.971 108.800 0.112 0.000 2.788 46 G HA2 0.162 4.121 3.960 -0.001 0.000 0.686 46 G HA3 0.162 4.121 3.960 -0.001 0.000 0.686 46 G C 0.506 175.597 174.900 0.319 0.000 1.147 46 G CA -0.565 44.647 45.100 0.186 0.000 0.755 46 G HN 0.849 nan 8.290 nan 0.000 0.634 47 G N -0.212 108.683 108.800 0.159 0.000 2.160 47 G HA2 0.345 4.305 3.960 -0.001 0.000 0.251 47 G HA3 0.345 4.305 3.960 -0.001 0.000 0.251 47 G C 1.746 176.745 174.900 0.166 0.000 1.008 47 G CA 0.945 46.103 45.100 0.097 0.000 0.724 47 G HN 3.215 nan 8.290 nan 0.000 0.514 48 G N -0.740 108.143 108.800 0.138 0.000 5.353 48 G HA2 0.249 4.209 3.960 -0.001 0.000 0.283 48 G HA3 0.249 4.209 3.960 -0.001 0.000 0.283 48 G C 1.559 176.548 174.900 0.148 0.000 1.457 48 G CA 2.068 47.213 45.100 0.075 0.000 0.951 48 G HN 2.594 nan 8.290 nan 0.000 0.731 49 G N -0.662 108.290 108.800 0.253 0.000 2.179 49 G HA2 0.392 4.351 3.960 -0.001 0.000 0.220 49 G HA3 0.392 4.351 3.960 -0.001 0.000 0.220 49 G C 1.434 176.433 174.900 0.164 0.000 0.990 49 G CA 0.971 46.157 45.100 0.144 0.000 0.646 49 G HN 2.448 nan 8.290 nan 0.000 0.517 50 G N -1.274 107.640 108.800 0.191 0.000 3.021 50 G HA2 0.718 4.678 3.960 -0.001 0.000 0.290 50 G HA3 0.718 4.678 3.960 -0.001 0.000 0.290 50 G C -0.885 174.186 174.900 0.285 0.000 1.291 50 G CA -0.343 44.895 45.100 0.230 0.000 0.834 50 G HN 0.677 nan 8.290 nan 0.000 0.564 54 G N 0.445 109.160 108.800 -0.141 0.000 2.706 54 G HA2 0.705 4.665 3.960 -0.001 0.000 0.297 54 G HA3 0.705 4.665 3.960 -0.001 0.000 0.297 54 G C -1.543 173.349 174.900 -0.014 0.000 1.403 54 G CA -0.490 44.607 45.100 -0.005 0.000 0.954 54 G HN 0.034 nan 8.290 nan 0.000 0.500 55 I N 0.954 121.546 120.570 0.037 0.000 2.465 55 I HA 0.482 4.652 4.170 -0.001 0.000 0.291 55 I C -0.616 175.570 176.117 0.115 0.000 1.014 55 I CA -1.135 60.190 61.300 0.042 0.000 1.093 55 I CB 2.476 40.492 38.000 0.026 0.000 1.267 55 I HN 0.129 nan 8.210 nan 0.000 0.431 56 V N 6.323 126.322 119.914 0.143 0.000 2.443 56 V HA 0.382 4.502 4.120 -0.001 0.000 0.293 56 V C -0.487 175.733 176.094 0.210 0.000 1.021 56 V CA -0.594 61.839 62.300 0.221 0.000 0.848 56 V CB 1.322 33.294 31.823 0.248 0.000 0.998 56 V HN 0.383 nan 8.190 nan 0.000 0.424 57 F N 3.063 123.138 119.950 0.207 0.000 2.384 57 F HA 0.323 4.850 4.527 -0.001 0.000 0.338 57 F C 1.094 177.040 175.800 0.242 0.000 1.103 57 F CA -0.006 58.116 58.000 0.203 0.000 1.157 57 F CB 0.784 39.871 39.000 0.145 0.000 1.167 57 F HN 0.473 nan 8.300 nan 0.000 0.529 58 N N 2.795 121.770 118.700 0.458 0.000 2.513 58 N HA -0.043 4.696 4.740 -0.001 0.000 0.268 58 N C 0.713 176.472 175.510 0.416 0.000 1.180 58 N CA 0.013 53.297 53.050 0.390 0.000 0.948 58 N CB 0.835 39.523 38.487 0.335 0.000 1.083 58 N HN 0.645 nan 8.380 nan 0.000 0.455 59 E N 1.478 121.870 120.200 0.320 0.000 2.274 59 E HA -0.103 4.247 4.350 -0.001 0.000 0.194 59 E C 1.270 178.089 176.600 0.365 0.000 0.996 59 E CA 1.243 57.797 56.400 0.255 0.000 0.840 59 E CB 0.165 29.967 29.700 0.170 0.000 0.772 59 E HN 0.809 nan 8.360 nan 0.000 0.491 60 T N -2.820 111.979 114.554 0.409 0.000 2.964 60 T HA 0.101 4.450 4.350 -0.001 0.000 0.249 60 T C 0.732 175.583 174.700 0.251 0.000 1.000 60 T CA -0.323 62.025 62.100 0.413 0.000 0.992 60 T CB 0.474 69.475 68.868 0.223 0.000 1.087 60 T HN -0.070 nan 8.240 nan 0.000 0.489 61 E N 1.741 122.018 120.200 0.128 0.000 2.134 61 E HA 0.342 4.692 4.350 -0.001 0.000 0.278 61 E C -0.537 175.891 176.600 -0.286 0.000 0.959 61 E CA -0.703 55.626 56.400 -0.118 0.000 0.783 61 E CB 1.054 30.747 29.700 -0.012 0.000 1.095 61 E HN 0.274 nan 8.360 nan 0.000 0.399 62 K N 3.630 123.589 120.400 -0.734 0.000 2.436 62 K HA -0.076 4.244 4.320 -0.001 0.000 0.275 62 K C -0.457 176.073 176.600 -0.117 0.000 0.999 62 K CA 0.460 56.386 56.287 -0.602 0.000 0.980 62 K CB 0.360 32.496 32.500 -0.607 0.000 0.919 62 K HN 0.619 nan 8.250 nan 0.000 0.484 63 D N 0.607 121.054 120.400 0.079 0.000 3.046 63 D HA -0.218 4.421 4.640 -0.001 0.000 0.210 63 D C -0.500 175.882 176.300 0.137 0.000 1.124 63 D CA 0.830 54.923 54.000 0.155 0.000 0.986 63 D CB -0.913 39.959 40.800 0.120 0.000 1.118 63 D HN 0.306 nan 8.370 nan 0.000 0.416 64 L N 1.484 122.771 121.223 0.106 0.000 2.268 64 L HA 0.452 4.792 4.340 -0.001 0.000 0.289 64 L C -0.231 176.648 176.870 0.015 0.000 1.064 64 L CA -0.118 54.751 54.840 0.048 0.000 0.824 64 L CB 0.218 42.329 42.059 0.088 0.000 1.202 64 L HN 0.030 nan 8.230 nan 0.000 0.433 65 I N 4.502 124.973 120.570 -0.165 0.000 2.647 65 I HA 0.408 4.577 4.170 -0.001 0.000 0.295 65 I C -1.172 174.885 176.117 -0.099 0.000 1.078 65 I CA -0.786 60.370 61.300 -0.239 0.000 1.048 65 I CB 1.880 39.496 38.000 -0.640 0.000 1.239 65 I HN 0.350 nan 8.210 nan 0.000 0.421 66 Y N 2.745 123.196 120.300 0.251 0.000 2.562 66 Y HA 0.827 5.376 4.550 -0.000 0.000 0.343 66 Y C 0.073 176.131 175.900 0.264 0.000 1.025 66 Y CA -0.908 57.424 58.100 0.386 0.000 1.082 66 Y CB 2.284 40.899 38.460 0.258 0.000 1.264 66 Y HN 0.635 nan 8.280 nan 0.000 0.478 67 A N 2.369 125.354 122.820 0.274 0.000 2.422 67 A HA 0.806 5.126 4.320 -0.001 0.000 0.302 67 A C -1.160 176.442 177.584 0.029 0.000 1.041 67 A CA -1.057 50.914 52.037 -0.110 0.000 0.708 67 A CB 1.232 19.735 19.000 -0.829 0.000 1.257 67 A HN 0.828 nan 8.150 nan 0.000 0.414 68 R N 1.384 121.878 120.500 -0.010 0.000 2.604 68 R HA 0.859 5.198 4.340 -0.001 0.000 0.287 68 R C -0.238 176.031 176.300 -0.052 0.000 0.970 68 R CA -0.284 55.821 56.100 0.007 0.000 0.946 68 R CB 1.798 32.097 30.300 -0.001 0.000 1.127 68 R HN 0.841 nan 8.270 nan 0.000 0.473 69 A N 1.355 124.172 122.820 -0.004 0.000 2.330 69 A HA 0.310 4.630 4.320 -0.001 0.000 0.329 69 A C -0.101 177.457 177.584 -0.044 0.000 1.135 69 A CA -0.707 51.321 52.037 -0.014 0.000 0.817 69 A CB 1.207 20.272 19.000 0.108 0.000 1.269 69 A HN 0.944 nan 8.150 nan 0.000 0.469 70 D N -0.002 120.373 120.400 -0.043 0.000 2.213 70 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 70 D C 1.000 177.281 176.300 -0.032 0.000 0.961 70 D CA 1.640 55.622 54.000 -0.030 0.000 0.853 70 D CB -0.247 40.578 40.800 0.042 0.000 0.967 70 D HN 0.564 nan 8.370 nan 0.000 0.496 71 I N -4.521 116.067 120.570 0.030 0.000 4.050 71 I HA 0.615 4.784 4.170 -0.001 0.000 0.327 71 I C 1.098 177.277 176.117 0.102 0.000 1.473 71 I CA -0.353 60.962 61.300 0.025 0.000 1.124 71 I CB 1.110 39.180 38.000 0.117 0.000 1.129 71 I HN -0.002 nan 8.210 nan 0.000 0.428 72 G N 0.325 109.209 108.800 0.141 0.000 3.443 72 G HA2 0.565 4.525 3.960 -0.001 0.000 0.252 72 G HA3 0.565 4.525 3.960 -0.001 0.000 0.252 72 G C 0.667 175.732 174.900 0.276 0.000 1.015 72 G CA 0.228 45.456 45.100 0.213 0.000 0.891 72 G HN 0.757 nan 8.290 nan 0.000 0.510 73 G N -0.121 108.819 108.800 0.233 0.000 2.542 73 G HA2 0.369 4.329 3.960 -0.001 0.000 0.235 73 G HA3 0.369 4.329 3.960 -0.001 0.000 0.235 73 G C 0.033 174.949 174.900 0.027 0.000 1.286 73 G CA 0.031 45.197 45.100 0.109 0.000 0.904 73 G HN 1.641 nan 8.290 nan 0.000 0.577 74 A N -1.433 121.351 122.820 -0.059 0.000 2.515 74 A HA 0.916 5.236 4.320 -0.001 0.000 0.296 74 A C -1.258 176.307 177.584 -0.031 0.000 1.094 74 A CA -0.429 51.644 52.037 0.059 0.000 0.718 74 A CB 1.461 20.521 19.000 0.101 0.000 1.307 74 A HN 1.516 nan 8.150 nan 0.000 0.408 75 Y N -0.332 120.109 120.300 0.236 0.000 2.545 75 Y HA 0.691 5.241 4.550 -0.001 0.000 0.348 75 Y C 0.277 176.500 175.900 0.538 0.000 1.002 75 Y CA -0.618 57.697 58.100 0.358 0.000 1.039 75 Y CB 2.155 40.794 38.460 0.299 0.000 1.271 75 Y HN 0.790 nan 8.280 nan 0.000 0.467 76 R N 2.227 123.094 120.500 0.610 0.000 2.589 76 R HA 0.219 4.559 4.340 -0.001 0.000 0.293 76 R C -1.154 175.319 176.300 0.288 0.000 0.963 76 R CA -0.663 55.606 56.100 0.280 0.000 0.905 76 R CB 1.162 31.461 30.300 -0.001 0.000 1.144 76 R HN 0.901 nan 8.270 nan 0.000 0.459 77 W N 5.130 126.244 121.300 -0.311 0.000 2.238 77 W HA 0.068 4.728 4.660 -0.000 0.000 0.321 77 W C -0.882 175.396 176.519 -0.402 0.000 1.293 77 W CA 0.092 56.988 57.345 -0.750 0.000 1.204 77 W CB 1.010 29.853 29.460 -1.028 0.000 1.167 77 W HN 0.537 nan 8.180 nan 0.000 0.553 78 D N 8.203 128.123 120.400 -0.800 0.000 2.427 78 D HA 0.190 4.830 4.640 -0.001 0.000 0.226 78 D C -1.414 174.250 176.300 -1.060 0.000 1.076 78 D CA -2.480 51.119 54.000 -0.669 0.000 0.849 78 D CB 1.658 42.200 40.800 -0.430 0.000 1.052 78 D HN 0.132 nan 8.370 nan 0.000 0.515 79 P HA -0.085 nan 4.420 nan 0.000 0.233 79 P C 1.104 178.223 177.300 -0.302 0.000 1.167 79 P CA 0.468 63.281 63.100 -0.477 0.000 0.770 79 P CB 0.225 31.907 31.700 -0.029 0.000 0.837 80 S N -0.275 115.257 115.700 -0.281 0.000 2.428 80 S HA -0.061 4.409 4.470 -0.001 0.000 0.230 80 S C 1.679 176.159 174.600 -0.201 0.000 1.014 80 S CA 1.635 59.724 58.200 -0.184 0.000 0.957 80 S CB -1.602 61.514 63.200 -0.140 0.000 0.784 80 S HN 0.296 nan 8.310 nan 0.000 0.499 81 T N -2.113 112.260 114.554 -0.302 0.000 3.040 81 T HA 0.384 4.733 4.350 -0.001 0.000 0.266 81 T C 0.108 174.604 174.700 -0.340 0.000 1.005 81 T CA 0.028 61.972 62.100 -0.261 0.000 0.906 81 T CB -0.376 68.366 68.868 -0.210 0.000 1.082 81 T HN 0.401 nan 8.240 nan 0.000 0.531 82 E N 1.776 121.622 120.200 -0.591 0.000 2.320 82 E HA -0.161 4.189 4.350 -0.001 0.000 0.234 82 E C -0.362 175.767 176.600 -0.784 0.000 1.183 82 E CA 0.735 56.666 56.400 -0.780 0.000 0.713 82 E CB -1.804 27.803 29.700 -0.155 0.000 1.226 82 E HN 0.878 nan 8.360 nan 0.000 0.382 83 T N -3.436 110.544 114.554 -0.956 0.000 2.901 83 T HA 0.662 5.012 4.350 -0.001 0.000 0.293 83 T C -0.519 173.883 174.700 -0.498 0.000 1.084 83 T CA -0.894 60.924 62.100 -0.470 0.000 1.008 83 T CB 1.232 69.981 68.868 -0.198 0.000 1.170 83 T HN 0.230 nan 8.240 nan 0.000 0.509 84 W N 0.602 121.894 121.300 -0.012 0.000 2.551 84 W HA 0.706 5.366 4.660 -0.001 0.000 0.330 84 W C -0.505 176.166 176.519 0.254 0.000 1.063 84 W CA -1.083 56.351 57.345 0.148 0.000 1.222 84 W CB 1.175 30.700 29.460 0.108 0.000 1.349 84 W HN 0.563 nan 8.180 nan 0.000 0.536 85 I N 5.863 126.742 120.570 0.515 0.000 2.339 85 I HA 0.257 4.427 4.170 -0.001 0.000 0.290 85 I C -1.853 174.478 176.117 0.356 0.000 0.994 85 I CA -2.346 59.175 61.300 0.368 0.000 1.191 85 I CB 1.235 39.343 38.000 0.180 0.000 1.343 85 I HN -0.021 nan 8.210 nan 0.000 0.458 86 P HA 0.138 nan 4.420 nan 0.000 0.276 86 P C 0.051 177.332 177.300 -0.033 0.000 1.230 86 P CA -0.032 62.928 63.100 -0.234 0.000 0.776 86 P CB 1.359 32.981 31.700 -0.130 0.000 0.888 87 L N 2.049 123.249 121.223 -0.037 0.000 2.642 87 L HA 0.236 4.576 4.340 -0.001 0.000 0.233 87 L C 1.594 178.563 176.870 0.164 0.000 1.077 87 L CA 0.375 55.324 54.840 0.181 0.000 0.879 87 L CB 0.021 42.312 42.059 0.387 0.000 1.151 87 L HN 0.293 nan 8.230 nan 0.000 0.495 88 L N -0.586 120.599 121.223 -0.064 0.000 3.014 88 L HA 0.177 4.517 4.340 -0.001 0.000 0.263 88 L C 0.683 177.335 176.870 -0.363 0.000 1.207 88 L CA -0.188 54.471 54.840 -0.303 0.000 1.017 88 L CB 0.268 42.092 42.059 -0.391 0.000 1.360 88 L HN 0.039 nan 8.230 nan 0.000 0.560 89 D N 0.056 120.368 120.400 -0.146 0.000 2.350 89 D HA -0.162 4.477 4.640 -0.001 0.000 0.216 89 D C 1.834 177.935 176.300 -0.332 0.000 0.968 89 D CA 1.046 54.949 54.000 -0.162 0.000 0.894 89 D CB 0.028 40.656 40.800 -0.287 0.000 0.909 89 D HN 0.598 nan 8.370 nan 0.000 0.520 90 H N -0.958 117.874 119.070 -0.396 0.000 2.491 90 H HA -0.038 4.518 4.556 -0.001 0.000 0.290 90 H C 0.227 175.378 175.328 -0.296 0.000 1.050 90 H CA 0.160 55.968 56.048 -0.399 0.000 1.309 90 H CB -0.622 28.894 29.762 -0.410 0.000 1.392 90 H HN -0.103 nan 8.280 nan 0.000 0.554 91 F N 3.162 122.701 119.950 -0.684 0.000 2.541 91 F HA 0.092 4.618 4.527 -0.001 0.000 0.378 91 F C 0.849 176.624 175.800 -0.041 0.000 1.068 91 F CA -0.198 57.557 58.000 -0.407 0.000 1.199 91 F CB 0.398 39.066 39.000 -0.554 0.000 1.091 91 F HN 0.292 nan 8.300 nan 0.000 0.555 95 E N -0.150 120.033 120.200 -0.027 0.000 2.995 95 E HA 0.091 4.441 4.350 -0.001 0.000 0.203 95 E C 0.240 176.717 176.600 -0.205 0.000 0.980 95 E CA -0.473 55.780 56.400 -0.246 0.000 1.172 95 E CB 0.489 30.093 29.700 -0.159 0.000 1.088 95 E HN 0.104 nan 8.360 nan 0.000 0.463 96 Y N 1.447 121.688 120.300 -0.097 0.000 2.193 96 Y HA -0.301 4.249 4.550 -0.000 0.000 0.285 96 Y C 2.375 178.255 175.900 -0.034 0.000 1.166 96 Y CA 1.958 60.090 58.100 0.053 0.000 1.181 96 Y CB -0.247 38.212 38.460 -0.001 0.000 0.976 96 Y HN 0.109 nan 8.280 nan 0.000 0.520 97 S N -0.750 114.692 115.700 -0.430 0.000 2.420 97 S HA -0.229 4.241 4.470 -0.001 0.000 0.237 97 S C 1.564 175.861 174.600 -0.504 0.000 1.023 97 S CA 1.452 59.325 58.200 -0.545 0.000 0.991 97 S CB -0.684 62.213 63.200 -0.504 0.000 0.792 97 S HN 0.593 nan 8.310 nan 0.000 0.488 98 Y N 0.097 120.020 120.300 -0.628 0.000 2.578 98 Y HA 0.206 4.756 4.550 -0.001 0.000 0.297 98 Y C 1.275 176.711 175.900 -0.774 0.000 1.176 98 Y CA -0.688 56.876 58.100 -0.893 0.000 1.315 98 Y CB -1.131 36.303 38.460 -1.711 0.000 1.031 98 Y HN 0.413 nan 8.280 nan 0.000 0.524 99 Y N -0.426 119.660 120.300 -0.356 0.000 2.516 99 Y HA 0.154 4.704 4.550 -0.000 0.000 0.291 99 Y C 1.917 177.671 175.900 -0.243 0.000 1.131 99 Y CA 0.125 58.089 58.100 -0.226 0.000 1.281 99 Y CB -0.109 38.257 38.460 -0.156 0.000 1.013 99 Y HN -0.021 nan 8.280 nan 0.000 0.554 100 G N 0.898 109.568 108.800 -0.216 0.000 2.396 100 G HA2 0.370 4.330 3.960 -0.001 0.000 0.292 100 G HA3 0.370 4.330 3.960 -0.001 0.000 0.292 100 G C -0.837 173.956 174.900 -0.178 0.000 1.106 100 G CA -0.229 44.740 45.100 -0.218 0.000 1.055 100 G HN -0.027 nan 8.290 nan 0.000 0.424 101 V N 3.414 123.250 119.914 -0.130 0.000 2.288 101 V HA 0.124 4.244 4.120 -0.001 0.000 0.266 101 V C 1.208 177.245 176.094 -0.095 0.000 1.048 101 V CA -0.347 61.881 62.300 -0.120 0.000 0.842 101 V CB 0.900 32.670 31.823 -0.089 0.000 1.064 101 V HN 0.970 nan 8.190 nan 0.000 0.472 102 E N 3.485 123.624 120.200 -0.102 0.000 2.077 102 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 102 E C 0.929 177.508 176.600 -0.037 0.000 0.989 102 E CA 1.258 57.614 56.400 -0.073 0.000 0.800 102 E CB 0.264 29.911 29.700 -0.088 0.000 0.746 102 E HN 0.649 nan 8.360 nan 0.000 0.452 103 S N -1.428 114.253 115.700 -0.031 0.000 2.547 103 S HA 0.500 4.970 4.470 -0.001 0.000 0.270 103 S C -1.724 172.895 174.600 0.032 0.000 1.150 103 S CA -0.891 57.321 58.200 0.021 0.000 0.850 103 S CB 0.911 64.137 63.200 0.043 0.000 1.118 103 S HN 0.235 nan 8.310 nan 0.000 0.461 104 I N 2.930 123.543 120.570 0.072 0.000 2.545 104 I HA 0.845 5.015 4.170 -0.001 0.000 0.292 104 I C -0.803 175.385 176.117 0.119 0.000 1.040 104 I CA -0.505 60.841 61.300 0.077 0.000 1.068 104 I CB 1.703 39.736 38.000 0.055 0.000 1.251 104 I HN 0.827 nan 8.210 nan 0.000 0.424 105 A N 4.369 127.277 122.820 0.147 0.000 2.356 105 A HA 0.690 5.010 4.320 -0.001 0.000 0.310 105 A C -0.748 176.939 177.584 0.171 0.000 1.075 105 A CA -0.510 51.647 52.037 0.200 0.000 0.746 105 A CB 1.732 20.894 19.000 0.270 0.000 1.221 105 A HN 0.599 nan 8.150 nan 0.000 0.443 106 T N 1.058 115.713 114.554 0.169 0.000 2.779 106 T HA 0.374 4.724 4.350 -0.001 0.000 0.280 106 T C -0.828 174.011 174.700 0.232 0.000 0.987 106 T CA -0.474 61.722 62.100 0.161 0.000 0.966 106 T CB 0.608 69.627 68.868 0.253 0.000 0.933 106 T HN 0.633 nan 8.240 nan 0.000 0.442 107 D N 5.998 126.535 120.400 0.228 0.000 2.382 107 D HA 0.151 4.791 4.640 -0.001 0.000 0.259 107 D C -1.230 175.182 176.300 0.187 0.000 1.224 107 D CA -1.928 52.208 54.000 0.226 0.000 0.894 107 D CB 1.796 42.741 40.800 0.241 0.000 1.127 107 D HN 0.349 nan 8.370 nan 0.000 0.487 108 P HA -0.073 nan 4.420 nan 0.000 0.227 108 P C 1.428 178.804 177.300 0.126 0.000 1.161 108 P CA 0.198 63.391 63.100 0.156 0.000 0.788 108 P CB 0.634 32.417 31.700 0.140 0.000 0.822 109 V N 0.406 120.387 119.914 0.112 0.000 2.379 109 V HA -0.030 4.090 4.120 -0.001 0.000 0.243 109 V C 1.017 177.166 176.094 0.093 0.000 1.035 109 V CA 1.815 64.171 62.300 0.094 0.000 1.035 109 V CB -0.784 31.093 31.823 0.090 0.000 0.673 109 V HN 0.107 nan 8.190 nan 0.000 0.457 110 D N -0.724 119.740 120.400 0.106 0.000 2.404 110 D HA 0.281 4.920 4.640 -0.001 0.000 0.267 110 D C -2.169 174.182 176.300 0.085 0.000 1.194 110 D CA -2.255 51.792 54.000 0.079 0.000 0.910 110 D CB 1.699 42.538 40.800 0.064 0.000 1.090 110 D HN 0.075 nan 8.370 nan 0.000 0.511 111 P HA -0.084 nan 4.420 nan 0.000 0.224 111 P C 0.910 178.262 177.300 0.087 0.000 1.142 111 P CA 0.565 63.732 63.100 0.111 0.000 0.778 111 P CB 0.296 32.057 31.700 0.102 0.000 0.764 112 N N -0.589 118.130 118.700 0.033 0.000 2.309 112 N HA -0.067 4.673 4.740 -0.001 0.000 0.182 112 N C 0.702 176.175 175.510 -0.063 0.000 1.018 112 N CA 0.777 53.818 53.050 -0.016 0.000 0.876 112 N CB -0.205 38.252 38.487 -0.050 0.000 0.972 112 N HN 0.260 nan 8.380 nan 0.000 0.434 113 R N 0.212 120.682 120.500 -0.051 0.000 2.404 113 R HA 0.472 4.812 4.340 -0.001 0.000 0.291 113 R C -0.688 175.507 176.300 -0.175 0.000 1.025 113 R CA -0.311 55.691 56.100 -0.163 0.000 0.991 113 R CB 2.155 32.414 30.300 -0.067 0.000 1.053 113 R HN -0.187 nan 8.270 nan 0.000 0.479 114 V N 4.121 123.777 119.914 -0.429 0.000 2.851 114 V HA 0.469 4.589 4.120 -0.001 0.000 0.307 114 V C -1.888 173.982 176.094 -0.374 0.000 1.129 114 V CA -0.669 61.437 62.300 -0.324 0.000 0.932 114 V CB 1.826 33.414 31.823 -0.392 0.000 1.024 114 V HN 0.690 nan 8.190 nan 0.000 0.426 115 Y N 5.487 125.869 120.300 0.137 0.000 2.462 115 Y HA 0.736 5.286 4.550 -0.000 0.000 0.346 115 Y C 0.054 176.047 175.900 0.155 0.000 0.976 115 Y CA -0.813 57.429 58.100 0.237 0.000 1.044 115 Y CB 2.203 40.796 38.460 0.222 0.000 1.230 115 Y HN 0.482 nan 8.280 nan 0.000 0.455 116 I N 2.585 123.291 120.570 0.228 0.000 2.465 116 I HA 0.336 4.505 4.170 -0.001 0.000 0.291 116 I C -1.051 175.015 176.117 -0.085 0.000 1.014 116 I CA -1.125 60.171 61.300 -0.008 0.000 1.093 116 I CB 2.092 39.953 38.000 -0.233 0.000 1.267 116 I HN 0.333 nan 8.210 nan 0.000 0.431 117 V N 6.832 126.680 119.914 -0.110 0.000 2.385 117 V HA 0.730 4.849 4.120 -0.001 0.000 0.269 117 V C 0.078 176.037 176.094 -0.226 0.000 1.043 117 V CA -0.005 62.173 62.300 -0.203 0.000 0.906 117 V CB 0.909 32.622 31.823 -0.183 0.000 0.995 117 V HN 0.794 nan 8.190 nan 0.000 0.467 118 A N 5.112 127.747 122.820 -0.308 0.000 2.355 118 A HA 1.041 5.361 4.320 -0.001 0.000 0.317 118 A C 0.139 177.624 177.584 -0.166 0.000 1.094 118 A CA 0.139 51.997 52.037 -0.299 0.000 0.764 118 A CB 1.694 20.396 19.000 -0.497 0.000 1.230 118 A HN 2.007 nan 8.150 nan 0.000 0.448 122 T N -2.834 111.718 114.554 -0.003 0.000 3.129 122 T HA 0.095 4.445 4.350 -0.001 0.000 0.251 122 T C 0.389 175.021 174.700 -0.112 0.000 1.117 122 T CA 0.824 62.889 62.100 -0.057 0.000 1.034 122 T CB -0.450 68.380 68.868 -0.062 0.000 0.968 122 T HN 0.599 nan 8.240 nan 0.000 0.526 123 N N 0.910 119.485 118.700 -0.208 0.000 2.717 123 N HA 0.250 4.990 4.740 -0.001 0.000 0.314 123 N C -0.077 175.310 175.510 -0.205 0.000 1.324 123 N CA -0.848 52.019 53.050 -0.305 0.000 0.902 123 N CB 0.154 38.254 38.487 -0.645 0.000 1.126 123 N HN -0.175 nan 8.380 nan 0.000 0.579 124 D N -1.692 118.585 120.400 -0.206 0.000 2.358 124 D HA 0.075 4.715 4.640 -0.001 0.000 0.224 124 D C 0.478 176.845 176.300 0.111 0.000 1.123 124 D CA -0.046 53.935 54.000 -0.032 0.000 0.833 124 D CB -0.160 40.638 40.800 -0.004 0.000 0.946 124 D HN 0.449 nan 8.370 nan 0.000 0.505 125 W N 0.834 122.098 121.300 -0.061 0.000 2.374 125 W HA 0.051 4.710 4.660 -0.000 0.000 0.288 125 W C 0.846 177.370 176.519 0.008 0.000 1.218 125 W CA 0.299 57.584 57.345 -0.101 0.000 1.245 125 W CB -0.358 28.885 29.460 -0.362 0.000 1.126 125 W HN -0.043 nan 8.180 nan 0.000 0.545 126 L N 0.488 121.875 121.223 0.273 0.000 2.388 126 L HA 0.254 4.594 4.340 -0.001 0.000 0.264 126 L C -1.148 175.762 176.870 0.067 0.000 0.998 126 L CA -1.783 53.159 54.840 0.169 0.000 0.817 126 L CB 2.740 44.912 42.059 0.188 0.000 1.338 126 L HN -0.443 nan 8.230 nan 0.000 0.414 127 P HA 0.015 nan 4.420 nan 0.000 0.235 127 P C -0.136 177.136 177.300 -0.046 0.000 1.177 127 P CA 0.395 63.491 63.100 -0.007 0.000 0.785 127 P CB 0.234 31.932 31.700 -0.002 0.000 0.885 131 A N 0.460 123.023 122.820 -0.429 0.000 2.475 131 A HA 0.791 5.111 4.320 -0.001 0.000 0.301 131 A C -0.938 176.354 177.584 -0.487 0.000 1.059 131 A CA -0.663 51.057 52.037 -0.528 0.000 0.710 131 A CB 1.430 19.961 19.000 -0.782 0.000 1.288 131 A HN 0.743 nan 8.150 nan 0.000 0.408 132 I N 2.484 122.821 120.570 -0.389 0.000 2.304 132 I HA 0.284 4.454 4.170 -0.001 0.000 0.291 132 I C -0.378 175.709 176.117 -0.051 0.000 1.018 132 I CA -0.098 61.062 61.300 -0.233 0.000 1.260 132 I CB 0.565 38.439 38.000 -0.210 0.000 1.390 132 I HN 0.484 nan 8.210 nan 0.000 0.475 133 L N 7.540 128.748 121.223 -0.025 0.000 2.307 133 L HA 0.585 4.924 4.340 -0.001 0.000 0.282 133 L C 0.332 177.461 176.870 0.432 0.000 1.051 133 L CA -0.784 54.120 54.840 0.106 0.000 0.804 133 L CB 0.865 42.776 42.059 -0.247 0.000 1.197 133 L HN 0.602 nan 8.230 nan 0.000 0.431 134 R N 1.479 122.271 120.500 0.488 0.000 2.575 134 R HA 0.731 5.070 4.340 -0.001 0.000 0.293 134 R C -1.104 175.184 176.300 -0.020 0.000 0.983 134 R CA -0.549 55.697 56.100 0.243 0.000 0.887 134 R CB 2.026 32.507 30.300 0.303 0.000 1.184 134 R HN 0.543 nan 8.270 nan 0.000 0.445 135 S N 0.603 116.022 115.700 -0.468 0.000 2.548 135 S HA 0.363 4.832 4.470 -0.001 0.000 0.286 135 S C 0.228 174.514 174.600 -0.523 0.000 1.098 135 S CA -0.377 57.404 58.200 -0.699 0.000 0.930 135 S CB 1.902 64.228 63.200 -1.457 0.000 1.070 135 S HN 0.733 nan 8.310 nan 0.000 0.480 136 T N -0.463 113.858 114.554 -0.389 0.000 3.040 136 T HA 0.255 4.605 4.350 -0.001 0.000 0.266 136 T C -0.104 174.459 174.700 -0.229 0.000 1.005 136 T CA 0.114 62.049 62.100 -0.275 0.000 0.906 136 T CB -0.315 68.425 68.868 -0.214 0.000 1.082 136 T HN 0.613 nan 8.240 nan 0.000 0.531 137 D N 1.075 121.306 120.400 -0.281 0.000 2.696 137 D HA 0.216 4.856 4.640 -0.001 0.000 0.269 137 D C 0.486 176.666 176.300 -0.200 0.000 1.319 137 D CA -0.803 53.071 54.000 -0.210 0.000 0.826 137 D CB -0.310 40.369 40.800 -0.202 0.000 1.086 137 D HN 0.293 nan 8.370 nan 0.000 0.481 138 R N -0.276 120.105 120.500 -0.198 0.000 3.651 138 R HA -0.109 4.231 4.340 -0.001 0.000 0.292 138 R C 0.977 177.235 176.300 -0.071 0.000 1.161 138 R CA 0.475 56.556 56.100 -0.032 0.000 0.787 138 R CB -2.432 27.910 30.300 0.070 0.000 1.249 138 R HN 0.628 nan 8.270 nan 0.000 0.476 139 G N -0.587 107.931 108.800 -0.472 0.000 2.144 139 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.218 139 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.218 139 G C 0.693 175.391 174.900 -0.336 0.000 0.988 139 G CA 0.259 44.974 45.100 -0.643 0.000 0.659 139 G HN 0.351 nan 8.290 nan 0.000 0.522 140 E N 0.191 120.202 120.200 -0.315 0.000 2.107 140 E HA 0.022 4.372 4.350 -0.001 0.000 0.191 140 E C 1.604 178.035 176.600 -0.280 0.000 0.982 140 E CA 1.783 58.063 56.400 -0.200 0.000 0.809 140 E CB -0.063 29.547 29.700 -0.150 0.000 0.756 140 E HN 0.925 nan 8.360 nan 0.000 0.459 141 T N -2.685 111.583 114.554 -0.476 0.000 2.906 141 T HA 0.567 4.917 4.350 -0.001 0.000 0.295 141 T C -1.220 173.085 174.700 -0.658 0.000 1.075 141 T CA -0.920 60.920 62.100 -0.433 0.000 1.005 141 T CB 1.457 70.156 68.868 -0.281 0.000 1.136 141 T HN 0.047 nan 8.240 nan 0.000 0.498 142 W N 0.334 121.474 121.300 -0.267 0.000 3.022 142 W HA 0.594 5.253 4.660 -0.001 0.000 0.335 142 W C -0.305 176.118 176.519 -0.159 0.000 1.133 142 W CA -0.669 56.559 57.345 -0.196 0.000 1.219 142 W CB 1.947 31.301 29.460 -0.177 0.000 1.409 142 W HN 0.616 nan 8.180 nan 0.000 0.507 143 E N 2.131 122.434 120.200 0.173 0.000 2.235 143 E HA 0.515 4.864 4.350 -0.001 0.000 0.265 143 E C -0.762 175.944 176.600 0.177 0.000 0.940 143 E CA -1.140 55.337 56.400 0.128 0.000 0.819 143 E CB 2.357 32.105 29.700 0.081 0.000 1.206 143 E HN 0.506 nan 8.360 nan 0.000 0.409 144 K N -0.847 119.625 120.400 0.120 0.000 2.426 144 K HA 0.600 4.920 4.320 -0.001 0.000 0.251 144 K C -0.944 175.690 176.600 0.057 0.000 0.941 144 K CA -0.750 55.578 56.287 0.068 0.000 0.808 144 K CB 1.691 34.182 32.500 -0.016 0.000 1.265 144 K HN 0.132 nan 8.250 nan 0.000 0.432 145 T N 3.167 117.744 114.554 0.038 0.000 2.772 145 T HA 0.337 4.687 4.350 -0.001 0.000 0.288 145 T C 0.122 174.771 174.700 -0.084 0.000 0.994 145 T CA -0.790 61.336 62.100 0.042 0.000 0.951 145 T CB 0.286 69.262 68.868 0.180 0.000 0.933 145 T HN 0.398 nan 8.240 nan 0.000 0.447 146 I N 4.445 124.971 120.570 -0.073 0.000 2.556 146 I HA 0.212 4.382 4.170 -0.001 0.000 0.284 146 I C 0.428 176.421 176.117 -0.207 0.000 1.114 146 I CA -0.185 61.033 61.300 -0.135 0.000 1.418 146 I CB 0.129 38.096 38.000 -0.057 0.000 1.394 146 I HN 0.472 nan 8.210 nan 0.000 0.552 147 L N 7.900 128.884 121.223 -0.399 0.000 2.375 147 L HA 0.380 4.720 4.340 -0.001 0.000 0.268 147 L C -1.438 175.111 176.870 -0.535 0.000 1.058 147 L CA -1.414 53.039 54.840 -0.645 0.000 0.803 147 L CB 0.844 42.107 42.059 -1.327 0.000 1.212 147 L HN 0.418 nan 8.230 nan 0.000 0.451 148 P HA 0.087 nan 4.420 nan 0.000 0.255 148 P C -0.860 176.404 177.300 -0.060 0.000 1.357 148 P CA 0.382 63.403 63.100 -0.132 0.000 0.839 148 P CB -0.299 31.461 31.700 0.101 0.000 1.356 149 F N -2.344 117.477 119.950 -0.215 0.000 2.789 149 F HA 0.670 5.197 4.527 -0.001 0.000 0.319 149 F C -0.325 175.352 175.800 -0.205 0.000 1.168 149 F CA -1.575 56.301 58.000 -0.205 0.000 0.934 149 F CB 1.020 39.859 39.000 -0.268 0.000 1.375 149 F HN -0.475 nan 8.300 nan 0.000 0.480 153 G N 0.676 109.391 108.800 -0.142 0.000 2.469 153 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.220 153 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.220 153 G C 0.830 175.668 174.900 -0.104 0.000 1.136 153 G CA 1.294 46.314 45.100 -0.133 0.000 0.759 153 G HN 0.608 nan 8.290 nan 0.000 0.562 157 G N 1.950 110.826 108.800 0.126 0.000 2.143 157 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.248 157 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.248 157 G C 1.013 175.956 174.900 0.072 0.000 0.991 157 G CA 0.735 45.880 45.100 0.076 0.000 0.689 157 G HN 0.929 nan 8.290 nan 0.000 0.522 158 R N 0.499 121.078 120.500 0.131 0.000 2.193 158 R HA 0.062 4.401 4.340 -0.001 0.000 0.229 158 R C 1.705 178.050 176.300 0.076 0.000 1.110 158 R CA 1.513 57.668 56.100 0.091 0.000 0.988 158 R CB -0.524 29.835 30.300 0.099 0.000 0.871 158 R HN 0.952 nan 8.270 nan 0.000 0.458 162 E N 0.337 120.712 120.200 0.290 0.000 2.259 162 E HA 0.287 4.637 4.350 -0.001 0.000 0.281 162 E C 1.099 177.839 176.600 0.232 0.000 1.027 162 E CA -0.492 56.046 56.400 0.231 0.000 0.838 162 E CB 2.037 31.866 29.700 0.215 0.000 1.066 162 E HN 0.524 nan 8.360 nan 0.000 0.401 163 R N 1.088 121.680 120.500 0.154 0.000 2.115 163 R HA -0.070 4.270 4.340 -0.001 0.000 0.230 163 R C 0.691 177.068 176.300 0.128 0.000 1.111 163 R CA 0.578 56.742 56.100 0.105 0.000 0.976 163 R CB -0.007 30.310 30.300 0.028 0.000 0.870 163 R HN 0.190 nan 8.270 nan 0.000 0.445 164 L N 0.505 121.817 121.223 0.149 0.000 2.282 164 L HA 0.492 4.832 4.340 -0.001 0.000 0.288 164 L C -0.948 176.082 176.870 0.267 0.000 1.033 164 L CA -0.374 54.583 54.840 0.193 0.000 0.807 164 L CB 1.488 43.632 42.059 0.142 0.000 1.209 164 L HN -0.017 nan 8.230 nan 0.000 0.423 165 A N 5.755 128.787 122.820 0.352 0.000 2.449 165 A HA 0.796 5.116 4.320 -0.001 0.000 0.302 165 A C -1.163 176.726 177.584 0.508 0.000 1.048 165 A CA -0.521 51.785 52.037 0.448 0.000 0.708 165 A CB 1.042 20.347 19.000 0.509 0.000 1.274 165 A HN 0.626 nan 8.150 nan 0.000 0.410 166 I N 1.639 122.433 120.570 0.373 0.000 2.354 166 I HA 0.216 4.386 4.170 -0.001 0.000 0.292 166 I C -0.214 175.782 176.117 -0.202 0.000 0.989 166 I CA -0.585 60.802 61.300 0.144 0.000 1.188 166 I CB 1.643 39.723 38.000 0.134 0.000 1.342 166 I HN 0.634 nan 8.210 nan 0.000 0.457 167 D N 9.140 129.203 120.400 -0.562 0.000 2.451 167 D HA 0.012 4.651 4.640 -0.001 0.000 0.254 167 D C -1.517 174.492 176.300 -0.485 0.000 1.204 167 D CA -1.315 52.022 54.000 -1.105 0.000 0.896 167 D CB 1.326 41.765 40.800 -0.602 0.000 1.136 167 D HN 0.281 nan 8.370 nan 0.000 0.499 168 P HA -0.018 nan 4.420 nan 0.000 0.236 168 P C 0.284 177.540 177.300 -0.074 0.000 1.177 168 P CA 0.692 63.717 63.100 -0.124 0.000 0.773 168 P CB 0.460 32.138 31.700 -0.036 0.000 0.878 169 N N -0.746 117.889 118.700 -0.109 0.000 2.454 169 N HA -0.004 4.735 4.740 -0.001 0.000 0.177 169 N C 0.159 175.637 175.510 -0.052 0.000 1.049 169 N CA 0.291 53.310 53.050 -0.051 0.000 0.887 169 N CB 0.214 38.683 38.487 -0.030 0.000 1.095 169 N HN -0.061 nan 8.380 nan 0.000 0.446 170 D N 0.147 120.489 120.400 -0.096 0.000 2.363 170 D HA 0.066 4.706 4.640 -0.001 0.000 0.258 170 D C -0.301 175.919 176.300 -0.134 0.000 1.259 170 D CA -0.425 53.520 54.000 -0.092 0.000 0.921 170 D CB -0.057 40.692 40.800 -0.085 0.000 1.201 170 D HN 0.119 nan 8.370 nan 0.000 0.524 171 N N 2.635 121.288 118.700 -0.078 0.000 2.571 171 N HA -0.103 4.636 4.740 -0.001 0.000 0.189 171 N C 1.080 176.461 175.510 -0.214 0.000 1.154 171 N CA 0.112 53.136 53.050 -0.043 0.000 0.907 171 N CB -0.093 38.470 38.487 0.126 0.000 0.977 171 N HN 0.341 nan 8.380 nan 0.000 0.449 172 R N -0.086 120.110 120.500 -0.506 0.000 2.152 172 R HA 0.166 4.506 4.340 -0.001 0.000 0.232 172 R C 0.310 176.284 176.300 -0.543 0.000 1.117 172 R CA 0.641 56.167 56.100 -0.956 0.000 0.981 172 R CB 0.012 29.886 30.300 -0.709 0.000 0.870 172 R HN 0.296 nan 8.270 nan 0.000 0.451 173 I N 1.703 122.078 120.570 -0.325 0.000 2.336 173 I HA 0.218 4.387 4.170 -0.001 0.000 0.292 173 I C -0.863 175.176 176.117 -0.130 0.000 0.991 173 I CA -0.688 60.477 61.300 -0.225 0.000 1.227 173 I CB 1.401 39.352 38.000 -0.081 0.000 1.366 173 I HN -0.130 nan 8.210 nan 0.000 0.466 174 L N 6.991 128.095 121.223 -0.199 0.000 2.381 174 L HA 0.495 4.834 4.340 -0.001 0.000 0.268 174 L C -0.979 175.938 176.870 0.079 0.000 0.997 174 L CA -0.358 54.495 54.840 0.021 0.000 0.818 174 L CB 1.626 43.647 42.059 -0.064 0.000 1.310 174 L HN 0.317 nan 8.230 nan 0.000 0.416 175 Y N 2.592 123.105 120.300 0.356 0.000 2.446 175 Y HA 0.713 5.263 4.550 -0.001 0.000 0.338 175 Y C -0.552 175.557 175.900 0.348 0.000 1.055 175 Y CA -0.654 57.648 58.100 0.335 0.000 1.101 175 Y CB 2.106 40.676 38.460 0.184 0.000 1.221 175 Y HN 0.380 nan 8.280 nan 0.000 0.460 176 L N 2.562 124.057 121.223 0.453 0.000 2.404 176 L HA 0.723 5.063 4.340 -0.001 0.000 0.272 176 L C -0.224 176.701 176.870 0.091 0.000 0.980 176 L CA -0.241 54.728 54.840 0.214 0.000 0.836 176 L CB 1.376 43.440 42.059 0.009 0.000 1.238 176 L HN 0.679 nan 8.230 nan 0.000 0.408 177 G N 2.511 111.309 108.800 -0.004 0.000 2.403 177 G HA2 0.502 4.461 3.960 -0.001 0.000 0.259 177 G HA3 0.502 4.461 3.960 -0.001 0.000 0.259 177 G C -0.243 174.586 174.900 -0.117 0.000 1.244 177 G CA 0.361 45.397 45.100 -0.106 0.000 0.849 177 G HN 0.779 nan 8.290 nan 0.000 0.532 178 T N -0.249 114.201 114.554 -0.175 0.000 2.916 178 T HA 0.673 5.022 4.350 -0.001 0.000 0.292 178 T C 0.209 174.785 174.700 -0.205 0.000 1.064 178 T CA -0.990 60.964 62.100 -0.245 0.000 1.011 178 T CB 2.064 70.598 68.868 -0.556 0.000 1.152 178 T HN 0.553 nan 8.240 nan 0.000 0.510 179 R N -0.478 119.910 120.500 -0.186 0.000 2.541 179 R HA 0.548 4.887 4.340 -0.001 0.000 0.263 179 R C 0.236 176.442 176.300 -0.157 0.000 1.112 179 R CA -0.339 55.680 56.100 -0.136 0.000 1.170 179 R CB 0.272 30.518 30.300 -0.089 0.000 1.167 179 R HN 0.958 nan 8.270 nan 0.000 0.582 180 C N -0.124 119.112 119.300 -0.107 0.000 4.397 180 C HA -0.127 4.333 4.460 -0.001 0.000 0.291 180 C C 1.259 176.191 174.990 -0.095 0.000 1.408 180 C CA 0.495 59.458 59.018 -0.092 0.000 1.971 180 C CB -2.630 25.058 27.740 -0.086 0.000 1.258 180 C HN 1.284 nan 8.230 nan 0.000 0.795 181 G N -0.092 108.650 108.800 -0.097 0.000 2.159 181 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.256 181 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.256 181 G C 0.384 175.236 174.900 -0.080 0.000 0.977 181 G CA 0.843 45.898 45.100 -0.075 0.000 0.652 181 G HN 0.718 nan 8.290 nan 0.000 0.531 182 N N 0.594 119.202 118.700 -0.154 0.000 2.459 182 N HA 0.355 5.095 4.740 -0.001 0.000 0.181 182 N C 1.795 177.323 175.510 0.030 0.000 1.046 182 N CA 1.505 54.462 53.050 -0.154 0.000 0.904 182 N CB -0.012 38.082 38.487 -0.655 0.000 0.964 182 N HN 1.482 nan 8.380 nan 0.000 0.444 183 G N 0.550 109.319 108.800 -0.052 0.000 2.498 183 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.245 183 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.245 183 G C -0.871 173.996 174.900 -0.056 0.000 1.204 183 G CA -0.321 44.762 45.100 -0.029 0.000 0.933 183 G HN 0.213 nan 8.290 nan 0.000 0.574 184 L N 0.016 121.135 121.223 -0.173 0.000 2.295 184 L HA 0.858 5.198 4.340 -0.001 0.000 0.285 184 L C -0.763 176.137 176.870 0.051 0.000 1.035 184 L CA -0.843 53.847 54.840 -0.249 0.000 0.806 184 L CB 1.018 42.532 42.059 -0.908 0.000 1.214 184 L HN 0.620 nan 8.230 nan 0.000 0.426 185 W N 5.002 126.279 121.300 -0.038 0.000 2.736 185 W HA 0.765 5.425 4.660 -0.000 0.000 0.355 185 W C -0.378 176.265 176.519 0.206 0.000 1.102 185 W CA -0.625 56.799 57.345 0.130 0.000 1.164 185 W CB 1.376 30.977 29.460 0.235 0.000 1.422 185 W HN 0.462 nan 8.180 nan 0.000 0.572 186 R N 1.190 121.902 120.500 0.354 0.000 2.668 186 R HA 0.641 4.981 4.340 -0.001 0.000 0.272 186 R C -1.403 174.641 176.300 -0.426 0.000 1.019 186 R CA -0.489 55.513 56.100 -0.163 0.000 0.894 186 R CB 2.102 32.093 30.300 -0.515 0.000 1.228 186 R HN 0.416 nan 8.270 nan 0.000 0.460 187 S N 0.411 115.541 115.700 -0.949 0.000 2.526 187 S HA 0.373 4.843 4.470 -0.001 0.000 0.293 187 S C -0.006 174.223 174.600 -0.618 0.000 1.092 187 S CA -0.276 57.306 58.200 -1.029 0.000 0.980 187 S CB 1.689 63.816 63.200 -1.788 0.000 1.048 187 S HN 0.706 nan 8.310 nan 0.000 0.483 188 T N -0.277 114.012 114.554 -0.441 0.000 3.145 188 T HA 0.279 4.629 4.350 -0.001 0.000 0.281 188 T C -0.363 174.145 174.700 -0.319 0.000 1.003 188 T CA -0.191 61.709 62.100 -0.333 0.000 0.901 188 T CB -0.298 68.432 68.868 -0.230 0.000 1.112 188 T HN 0.613 nan 8.240 nan 0.000 0.535 189 D N 0.112 120.326 120.400 -0.310 0.000 2.957 189 D HA 0.149 4.789 4.640 -0.001 0.000 0.352 189 D C -0.459 175.824 176.300 -0.028 0.000 1.352 189 D CA -1.121 52.774 54.000 -0.174 0.000 0.831 189 D CB -1.033 39.721 40.800 -0.076 0.000 1.147 189 D HN 0.228 nan 8.370 nan 0.000 0.467 190 Y N 0.626 120.853 120.300 -0.121 0.000 3.589 190 Y HA -0.100 4.450 4.550 -0.000 0.000 0.218 190 Y C 1.750 177.652 175.900 0.003 0.000 1.234 190 Y CA 0.886 58.969 58.100 -0.028 0.000 1.576 190 Y CB -1.792 36.727 38.460 0.099 0.000 1.487 190 Y HN 0.592 nan 8.280 nan 0.000 0.616 191 G N -2.211 106.513 108.800 -0.127 0.000 2.159 191 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.256 191 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.256 191 G C 0.878 175.905 174.900 0.212 0.000 0.977 191 G CA 0.346 45.444 45.100 -0.003 0.000 0.652 191 G HN 0.610 nan 8.290 nan 0.000 0.531 192 V N 0.761 120.728 119.914 0.087 0.000 2.379 192 V HA 0.132 4.252 4.120 -0.001 0.000 0.245 192 V C 1.792 177.963 176.094 0.128 0.000 1.044 192 V CA 2.508 64.891 62.300 0.138 0.000 1.036 192 V CB -0.391 31.494 31.823 0.102 0.000 0.664 192 V HN 1.126 nan 8.190 nan 0.000 0.453 193 T N -3.193 111.341 114.554 -0.032 0.000 2.893 193 T HA 0.583 4.932 4.350 -0.001 0.000 0.291 193 T C -1.517 173.092 174.700 -0.152 0.000 1.028 193 T CA -0.618 61.500 62.100 0.030 0.000 0.995 193 T CB 1.961 70.838 68.868 0.015 0.000 1.051 193 T HN 0.209 nan 8.240 nan 0.000 0.470 194 W N 1.428 122.802 121.300 0.124 0.000 2.915 194 W HA 0.664 5.324 4.660 -0.001 0.000 0.337 194 W C -0.146 176.553 176.519 0.299 0.000 1.102 194 W CA -0.416 57.063 57.345 0.224 0.000 1.224 194 W CB 2.430 32.066 29.460 0.293 0.000 1.416 194 W HN 1.052 nan 8.180 nan 0.000 0.503 195 S N 1.249 117.172 115.700 0.373 0.000 2.564 195 S HA 0.576 5.046 4.470 -0.001 0.000 0.274 195 S C -1.002 173.257 174.600 -0.568 0.000 1.124 195 S CA -1.265 56.892 58.200 -0.072 0.000 0.869 195 S CB 1.968 65.102 63.200 -0.111 0.000 1.105 195 S HN 0.432 nan 8.310 nan 0.000 0.472 196 K N 1.220 120.786 120.400 -1.391 0.000 2.401 196 K HA 0.318 4.638 4.320 -0.001 0.000 0.278 196 K C -0.743 175.516 176.600 -0.568 0.000 1.018 196 K CA -0.490 54.914 56.287 -1.472 0.000 0.981 196 K CB 0.382 32.112 32.500 -1.283 0.000 0.933 196 K HN 0.549 nan 8.250 nan 0.000 0.477 197 V N 6.180 125.880 119.914 -0.357 0.000 2.326 197 V HA -0.012 4.108 4.120 -0.001 0.000 0.249 197 V C 1.072 177.133 176.094 -0.055 0.000 1.114 197 V CA -0.013 62.239 62.300 -0.080 0.000 1.028 197 V CB 0.397 32.275 31.823 0.092 0.000 1.170 197 V HN 0.869 nan 8.190 nan 0.000 0.494 198 E N 2.694 122.855 120.200 -0.065 0.000 2.110 198 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 198 E C 2.245 178.855 176.600 0.015 0.000 0.988 198 E CA 1.586 57.955 56.400 -0.052 0.000 0.804 198 E CB -0.069 29.597 29.700 -0.057 0.000 0.745 198 E HN 0.849 nan 8.360 nan 0.000 0.458 199 S N 0.155 115.916 115.700 0.102 0.000 2.607 199 S HA -0.055 4.414 4.470 -0.001 0.000 0.224 199 S C 0.621 175.340 174.600 0.198 0.000 0.969 199 S CA -0.360 57.940 58.200 0.166 0.000 0.927 199 S CB -0.520 62.820 63.200 0.234 0.000 0.772 199 S HN 0.092 nan 8.310 nan 0.000 0.533 200 F N 3.940 123.823 119.950 -0.112 0.000 2.504 200 F HA 0.385 4.912 4.527 -0.000 0.000 0.369 200 F C -1.662 173.918 175.800 -0.368 0.000 1.082 200 F CA -2.282 55.428 58.000 -0.483 0.000 1.216 200 F CB 1.065 39.623 39.000 -0.737 0.000 1.108 200 F HN -0.013 nan 8.300 nan 0.000 0.554 201 P HA -0.034 nan 4.420 nan 0.000 0.224 201 P C -0.693 176.246 177.300 -0.601 0.000 1.157 201 P CA 0.912 63.600 63.100 -0.686 0.000 0.799 201 P CB 0.257 31.573 31.700 -0.639 0.000 0.809 202 N N -0.703 117.482 118.700 -0.858 0.000 2.594 202 N HA 0.159 4.898 4.740 -0.001 0.000 0.280 202 N C -2.504 172.931 175.510 -0.125 0.000 1.156 202 N CA -1.962 50.835 53.050 -0.420 0.000 0.831 202 N CB 1.226 39.480 38.487 -0.387 0.000 1.379 202 N HN -0.172 nan 8.380 nan 0.000 0.536 203 P HA 0.218 nan 4.420 nan 0.000 0.249 203 P C 0.303 177.584 177.300 -0.031 0.000 1.229 203 P CA 0.488 63.584 63.100 -0.007 0.000 0.788 203 P CB -0.024 31.658 31.700 -0.031 0.000 1.072 204 G N 0.031 108.816 108.800 -0.025 0.000 2.690 204 G HA2 0.025 3.984 3.960 -0.001 0.000 0.686 204 G HA3 0.025 3.984 3.960 -0.001 0.000 0.686 204 G C -0.399 174.487 174.900 -0.023 0.000 1.277 204 G CA -0.371 44.718 45.100 -0.019 0.000 0.799 204 G HN 0.459 nan 8.290 nan 0.000 0.613 219 I N 3.165 123.717 120.570 -0.030 0.000 2.315 219 I HA -0.003 4.166 4.170 -0.001 0.000 0.248 219 I C 1.654 177.736 176.117 -0.059 0.000 1.117 219 I CA 2.255 63.533 61.300 -0.036 0.000 1.404 219 I CB -1.419 36.565 38.000 -0.026 0.000 1.071 219 I HN 0.968 nan 8.210 nan 0.000 0.419 220 G N 0.594 109.357 108.800 -0.061 0.000 2.512 220 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.240 220 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.240 220 G C -0.258 174.582 174.900 -0.099 0.000 1.246 220 G CA -0.206 44.845 45.100 -0.082 0.000 0.919 220 G HN 0.103 nan 8.290 nan 0.000 0.577 221 V N 1.615 121.448 119.914 -0.135 0.000 2.432 221 V HA 0.415 4.535 4.120 -0.001 0.000 0.271 221 V C 1.669 177.656 176.094 -0.180 0.000 1.046 221 V CA 0.437 62.621 62.300 -0.192 0.000 0.945 221 V CB 0.922 32.574 31.823 -0.286 0.000 0.992 221 V HN 1.599 nan 8.190 nan 0.000 0.471 222 V N 1.730 121.512 119.914 -0.221 0.000 3.523 222 V HA 0.406 4.525 4.120 -0.001 0.000 0.255 222 V C 0.251 176.369 176.094 0.040 0.000 1.226 222 V CA 0.118 62.349 62.300 -0.114 0.000 1.092 222 V CB 0.128 31.895 31.823 -0.092 0.000 0.817 222 V HN 0.851 nan 8.190 nan 0.000 0.458 223 W N -1.603 119.678 121.300 -0.030 0.000 3.248 223 W HA 0.775 5.435 4.660 -0.001 0.000 0.311 223 W C -2.236 174.279 176.519 -0.006 0.000 1.258 223 W CA -1.102 56.247 57.345 0.006 0.000 1.191 223 W CB 1.149 30.634 29.460 0.042 0.000 1.389 223 W HN -0.226 nan 8.180 nan 0.000 0.561 224 V N 2.445 122.591 119.914 0.386 0.000 2.483 224 V HA 0.486 4.606 4.120 -0.001 0.000 0.297 224 V C -0.545 175.705 176.094 0.260 0.000 1.027 224 V CA -0.821 61.593 62.300 0.189 0.000 0.855 224 V CB 1.520 33.330 31.823 -0.023 0.000 0.995 224 V HN 0.400 nan 8.190 nan 0.000 0.424 225 V N 5.333 125.417 119.914 0.284 0.000 2.444 225 V HA 0.525 4.645 4.120 -0.001 0.000 0.294 225 V C -0.571 175.609 176.094 0.143 0.000 1.022 225 V CA -0.512 61.948 62.300 0.267 0.000 0.850 225 V CB 1.614 33.632 31.823 0.325 0.000 0.992 225 V HN 0.660 nan 8.190 nan 0.000 0.426 226 F N 2.407 122.498 119.950 0.234 0.000 2.375 226 F HA 0.381 4.908 4.527 -0.001 0.000 0.333 226 F C 0.676 176.600 175.800 0.206 0.000 1.104 226 F CA -0.348 57.763 58.000 0.185 0.000 1.149 226 F CB 0.960 40.043 39.000 0.138 0.000 1.190 226 F HN 0.420 nan 8.300 nan 0.000 0.533 227 D N 3.087 123.713 120.400 0.378 0.000 2.485 227 D HA 0.071 4.711 4.640 -0.001 0.000 0.221 227 D C 1.022 177.452 176.300 0.216 0.000 1.112 227 D CA -0.086 54.089 54.000 0.291 0.000 0.911 227 D CB 0.655 41.637 40.800 0.303 0.000 1.019 227 D HN 0.532 nan 8.370 nan 0.000 0.516 228 K N 1.494 122.005 120.400 0.185 0.000 2.113 228 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 228 K C 1.533 178.185 176.600 0.087 0.000 1.047 228 K CA 1.502 57.861 56.287 0.121 0.000 0.928 228 K CB 0.128 32.685 32.500 0.096 0.000 0.716 228 K HN 0.390 nan 8.250 nan 0.000 0.446 229 S N -0.176 115.575 115.700 0.085 0.000 2.555 229 S HA -0.075 4.395 4.470 -0.001 0.000 0.230 229 S C 1.739 176.372 174.600 0.055 0.000 0.978 229 S CA 1.089 59.325 58.200 0.059 0.000 0.934 229 S CB -0.114 63.117 63.200 0.050 0.000 0.766 229 S HN 0.395 nan 8.310 nan 0.000 0.533 230 S N 0.191 115.933 115.700 0.069 0.000 2.461 230 S HA 0.201 4.670 4.470 -0.001 0.000 0.228 230 S C 0.785 175.407 174.600 0.036 0.000 1.005 230 S CA 0.080 58.311 58.200 0.052 0.000 0.942 230 S CB -0.253 62.982 63.200 0.058 0.000 0.776 230 S HN 0.432 nan 8.310 nan 0.000 0.514 231 S N 0.419 116.143 115.700 0.040 0.000 2.811 231 S HA 0.711 5.181 4.470 -0.001 0.000 0.311 231 S C -0.471 174.143 174.600 0.023 0.000 1.152 231 S CA -0.499 57.716 58.200 0.026 0.000 0.864 231 S CB 1.784 64.999 63.200 0.025 0.000 1.226 231 S HN 0.619 nan 8.310 nan 0.000 0.541 232 T N -0.307 114.257 114.554 0.015 0.000 2.918 232 T HA 0.676 5.026 4.350 -0.001 0.000 0.286 232 T C -3.183 171.523 174.700 0.011 0.000 1.026 232 T CA -2.584 59.525 62.100 0.014 0.000 1.031 232 T CB 0.917 69.792 68.868 0.011 0.000 1.046 232 T HN 0.168 nan 8.240 nan 0.000 0.479 233 P HA 0.270 nan 4.420 nan 0.000 0.264 233 P C 1.194 178.499 177.300 0.007 0.000 1.183 233 P CA 1.400 64.507 63.100 0.011 0.000 0.763 233 P CB 0.141 31.851 31.700 0.018 0.000 0.807 234 G N 1.846 110.647 108.800 0.002 0.000 2.258 234 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.233 234 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.233 234 G C 0.201 175.095 174.900 -0.010 0.000 1.006 234 G CA -0.404 44.696 45.100 -0.000 0.000 0.620 234 G HN 0.570 nan 8.290 nan 0.000 0.511 235 N N 1.916 120.611 118.700 -0.008 0.000 2.443 235 N HA 0.511 5.251 4.740 -0.001 0.000 0.295 235 N C -2.953 172.550 175.510 -0.010 0.000 1.076 235 N CA -1.425 51.619 53.050 -0.009 0.000 0.919 235 N CB 1.605 40.091 38.487 -0.002 0.000 1.176 235 N HN 0.006 nan 8.380 nan 0.000 0.487 236 P HA -0.029 nan 4.420 nan 0.000 0.260 236 P C -0.294 177.029 177.300 0.037 0.000 1.172 236 P CA 0.468 63.575 63.100 0.013 0.000 0.760 236 P CB 0.082 31.796 31.700 0.023 0.000 0.773 237 T N 4.327 118.916 114.554 0.059 0.000 2.871 237 T HA -0.016 4.333 4.350 -0.001 0.000 0.296 237 T C 1.445 176.216 174.700 0.118 0.000 0.998 237 T CA 0.284 62.452 62.100 0.112 0.000 1.162 237 T CB 0.333 69.320 68.868 0.199 0.000 0.947 237 T HN 0.358 nan 8.240 nan 0.000 0.536 238 K N 1.726 122.159 120.400 0.055 0.000 2.098 238 K HA 0.027 4.346 4.320 -0.001 0.000 0.203 238 K C 0.790 177.349 176.600 -0.069 0.000 1.051 238 K CA 0.689 56.970 56.287 -0.011 0.000 0.957 238 K CB 0.289 32.775 32.500 -0.023 0.000 0.738 238 K HN 0.423 nan 8.250 nan 0.000 0.447 239 T N 2.281 116.815 114.554 -0.033 0.000 2.733 239 T HA 0.442 4.792 4.350 -0.001 0.000 0.294 239 T C -0.201 174.431 174.700 -0.113 0.000 0.956 239 T CA -0.282 61.745 62.100 -0.121 0.000 0.987 239 T CB 0.658 69.481 68.868 -0.074 0.000 0.920 239 T HN 0.006 nan 8.240 nan 0.000 0.470 240 I N 3.290 123.693 120.570 -0.278 0.000 2.499 240 I HA 0.412 4.582 4.170 -0.001 0.000 0.288 240 I C -1.053 174.956 176.117 -0.179 0.000 1.048 240 I CA -1.136 60.023 61.300 -0.235 0.000 1.062 240 I CB 1.715 39.513 38.000 -0.336 0.000 1.238 240 I HN 0.524 nan 8.210 nan 0.000 0.426 241 Y N 4.730 125.106 120.300 0.126 0.000 2.361 241 Y HA 0.664 5.214 4.550 -0.001 0.000 0.332 241 Y C -0.035 175.969 175.900 0.172 0.000 1.101 241 Y CA -0.830 57.412 58.100 0.237 0.000 1.137 241 Y CB 1.890 40.542 38.460 0.319 0.000 1.207 241 Y HN 0.163 nan 8.280 nan 0.000 0.463 242 V N 2.018 122.050 119.914 0.197 0.000 2.638 242 V HA 0.653 4.773 4.120 -0.001 0.000 0.306 242 V C 0.026 175.794 176.094 -0.543 0.000 1.052 242 V CA -1.003 61.182 62.300 -0.192 0.000 0.885 242 V CB 1.873 33.549 31.823 -0.244 0.000 0.999 242 V HN 0.942 nan 8.190 nan 0.000 0.424 243 G N 2.861 110.787 108.800 -1.456 0.000 2.348 243 G HA2 0.635 4.595 3.960 -0.001 0.000 0.312 243 G HA3 0.635 4.595 3.960 -0.001 0.000 0.312 243 G C -1.064 173.407 174.900 -0.714 0.000 1.126 243 G CA -0.418 43.770 45.100 -1.520 0.000 0.865 243 G HN 0.569 nan 8.290 nan 0.000 0.474 244 V N 1.196 120.935 119.914 -0.291 0.000 2.735 244 V HA 0.631 4.750 4.120 -0.001 0.000 0.310 244 V C 0.405 176.466 176.094 -0.054 0.000 1.061 244 V CA -0.945 61.295 62.300 -0.101 0.000 0.913 244 V CB 1.986 33.872 31.823 0.105 0.000 1.005 244 V HN 1.050 nan 8.190 nan 0.000 0.428 245 A N 2.905 125.696 122.820 -0.049 0.000 2.915 245 A HA 0.531 4.851 4.320 -0.001 0.000 0.292 245 A C -0.145 177.447 177.584 0.013 0.000 1.632 245 A CA 0.256 52.286 52.037 -0.012 0.000 1.337 245 A CB -0.525 18.458 19.000 -0.028 0.000 1.111 245 A HN 0.750 nan 8.150 nan 0.000 0.569 246 D N 1.753 122.172 120.400 0.032 0.000 2.764 246 D HA 0.173 4.812 4.640 -0.001 0.000 0.227 246 D C 0.563 176.876 176.300 0.023 0.000 1.347 246 D CA -0.425 53.591 54.000 0.027 0.000 0.953 246 D CB 1.099 41.920 40.800 0.036 0.000 1.476 246 D HN 0.310 nan 8.370 nan 0.000 0.585 247 K N 1.635 122.046 120.400 0.018 0.000 2.209 247 K HA -0.061 4.259 4.320 -0.001 0.000 0.204 247 K C 1.135 177.704 176.600 -0.052 0.000 1.048 247 K CA 0.827 57.114 56.287 -0.000 0.000 0.940 247 K CB 0.309 32.813 32.500 0.007 0.000 0.729 247 K HN 0.321 nan 8.250 nan 0.000 0.451 248 N N 0.548 119.219 118.700 -0.048 0.000 2.395 248 N HA -0.051 4.688 4.740 -0.001 0.000 0.175 248 N C -0.172 175.273 175.510 -0.108 0.000 1.029 248 N CA 0.654 53.658 53.050 -0.077 0.000 0.897 248 N CB 0.543 38.998 38.487 -0.052 0.000 0.991 248 N HN 0.207 nan 8.380 nan 0.000 0.441 249 E N -0.446 119.702 120.200 -0.088 0.000 2.404 249 E HA 0.164 4.514 4.350 -0.001 0.000 0.298 249 E C -0.428 176.104 176.600 -0.114 0.000 0.908 249 E CA -0.105 56.203 56.400 -0.154 0.000 0.808 249 E CB 0.653 30.282 29.700 -0.120 0.000 1.380 249 E HN 0.067 nan 8.360 nan 0.000 0.392 250 S N 3.988 119.581 115.700 -0.179 0.000 2.554 250 S HA 0.300 4.769 4.470 -0.001 0.000 0.227 250 S C 0.535 175.064 174.600 -0.118 0.000 1.050 250 S CA -0.239 57.928 58.200 -0.055 0.000 0.927 250 S CB 0.518 63.748 63.200 0.049 0.000 0.859 250 S HN 0.374 nan 8.310 nan 0.000 0.494 251 I N 2.579 122.978 120.570 -0.286 0.000 2.355 251 I HA 0.520 4.690 4.170 -0.001 0.000 0.288 251 I C -1.327 174.586 176.117 -0.341 0.000 0.999 251 I CA -1.092 60.115 61.300 -0.156 0.000 1.163 251 I CB 0.415 38.462 38.000 0.079 0.000 1.316 251 I HN 0.177 nan 8.210 nan 0.000 0.454 252 Y N 4.939 125.282 120.300 0.072 0.000 2.524 252 Y HA 0.669 5.218 4.550 -0.001 0.000 0.344 252 Y C 0.319 176.367 175.900 0.246 0.000 1.012 252 Y CA -0.824 57.350 58.100 0.123 0.000 1.068 252 Y CB 2.301 40.799 38.460 0.063 0.000 1.249 252 Y HN 0.470 nan 8.280 nan 0.000 0.468 253 R N 1.173 121.902 120.500 0.381 0.000 2.621 253 R HA 0.664 5.004 4.340 -0.001 0.000 0.284 253 R C -1.482 174.864 176.300 0.077 0.000 0.998 253 R CA -0.517 55.654 56.100 0.119 0.000 0.895 253 R CB 1.923 32.148 30.300 -0.124 0.000 1.195 253 R HN 0.704 nan 8.270 nan 0.000 0.450 254 S N 0.717 116.252 115.700 -0.275 0.000 2.501 254 S HA 0.331 4.800 4.470 -0.001 0.000 0.301 254 S C 0.424 174.771 174.600 -0.422 0.000 1.096 254 S CA -0.351 57.467 58.200 -0.638 0.000 1.063 254 S CB 1.518 63.785 63.200 -1.555 0.000 1.042 254 S HN 0.713 nan 8.310 nan 0.000 0.494 255 T N -0.355 114.014 114.554 -0.309 0.000 3.040 255 T HA 0.228 4.578 4.350 -0.001 0.000 0.266 255 T C -0.052 174.547 174.700 -0.167 0.000 1.005 255 T CA -0.041 61.941 62.100 -0.197 0.000 0.906 255 T CB -0.213 68.584 68.868 -0.118 0.000 1.082 255 T HN 0.614 nan 8.240 nan 0.000 0.531 256 D N 0.720 120.986 120.400 -0.222 0.000 2.670 256 D HA 0.372 5.012 4.640 -0.001 0.000 0.255 256 D C 1.325 177.532 176.300 -0.156 0.000 1.286 256 D CA -0.330 53.573 54.000 -0.161 0.000 0.830 256 D CB -0.303 40.410 40.800 -0.144 0.000 1.065 256 D HN 0.396 nan 8.370 nan 0.000 0.486 257 G N -0.221 108.481 108.800 -0.164 0.000 2.176 257 G HA2 0.008 3.967 3.960 -0.001 0.000 0.252 257 G HA3 0.008 3.967 3.960 -0.001 0.000 0.252 257 G C 1.110 175.971 174.900 -0.066 0.000 1.024 257 G CA 0.223 45.279 45.100 -0.073 0.000 0.755 257 G HN 1.422 nan 8.290 nan 0.000 0.507 258 G N -3.041 105.560 108.800 -0.332 0.000 2.157 258 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.239 258 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.239 258 G C 1.242 176.031 174.900 -0.185 0.000 0.982 258 G CA 0.975 45.873 45.100 -0.336 0.000 0.650 258 G HN 1.420 nan 8.290 nan 0.000 0.527 259 V N 0.814 120.590 119.914 -0.230 0.000 2.283 259 V HA 0.160 4.280 4.120 -0.001 0.000 0.243 259 V C 1.881 177.893 176.094 -0.136 0.000 1.039 259 V CA 2.625 64.860 62.300 -0.108 0.000 1.016 259 V CB -0.214 31.559 31.823 -0.083 0.000 0.650 259 V HN 1.084 nan 8.190 nan 0.000 0.449 260 T N -3.035 111.338 114.554 -0.302 0.000 2.924 260 T HA 0.572 4.922 4.350 -0.001 0.000 0.291 260 T C -1.519 172.897 174.700 -0.473 0.000 1.045 260 T CA -0.671 61.301 62.100 -0.213 0.000 1.015 260 T CB 2.022 70.825 68.868 -0.107 0.000 1.103 260 T HN 0.226 nan 8.240 nan 0.000 0.496 261 W N 0.595 121.884 121.300 -0.018 0.000 2.883 261 W HA 0.664 5.323 4.660 -0.001 0.000 0.335 261 W C -0.342 176.167 176.519 -0.016 0.000 1.083 261 W CA -0.852 56.483 57.345 -0.017 0.000 1.233 261 W CB 2.089 31.510 29.460 -0.065 0.000 1.412 261 W HN 0.593 nan 8.180 nan 0.000 0.490 262 K N 1.773 122.319 120.400 0.243 0.000 2.375 262 K HA 0.811 5.131 4.320 -0.001 0.000 0.249 262 K C -0.490 176.233 176.600 0.205 0.000 0.942 262 K CA -1.197 55.195 56.287 0.174 0.000 0.806 262 K CB 2.368 34.914 32.500 0.077 0.000 1.227 262 K HN 0.511 nan 8.250 nan 0.000 0.430 263 A N 1.627 124.502 122.820 0.090 0.000 2.425 263 A HA 0.249 4.569 4.320 -0.001 0.000 0.249 263 A C 0.131 177.645 177.584 -0.118 0.000 1.084 263 A CA -0.476 51.428 52.037 -0.220 0.000 0.781 263 A CB 0.208 18.985 19.000 -0.372 0.000 1.019 263 A HN 0.439 nan 8.150 nan 0.000 0.490 264 V N 5.100 124.932 119.914 -0.136 0.000 2.485 264 V HA 0.129 4.248 4.120 -0.001 0.000 0.287 264 V C -1.953 174.138 176.094 -0.006 0.000 1.022 264 V CA -0.760 61.517 62.300 -0.037 0.000 1.067 264 V CB 0.325 32.093 31.823 -0.091 0.000 0.967 264 V HN 0.760 nan 8.190 nan 0.000 0.479 265 P HA 0.292 nan 4.420 nan 0.000 0.268 265 P C 0.944 178.335 177.300 0.151 0.000 1.205 265 P CA 0.970 64.110 63.100 0.068 0.000 0.771 265 P CB 0.779 32.541 31.700 0.102 0.000 0.858 266 G N 1.066 109.842 108.800 -0.040 0.000 2.176 266 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.253 266 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.253 266 G C 0.161 174.557 174.900 -0.839 0.000 0.979 266 G CA 0.177 45.187 45.100 -0.150 0.000 0.641 266 G HN 0.781 nan 8.290 nan 0.000 0.530 267 Q N 1.086 120.311 119.800 -0.958 0.000 2.392 267 Q HA 0.549 4.888 4.340 -0.001 0.000 0.262 267 Q C -2.010 173.216 176.000 -1.291 0.000 1.003 267 Q CA -1.144 53.670 55.803 -1.649 0.000 0.888 267 Q CB 0.665 28.849 28.738 -0.923 0.000 1.260 267 Q HN 0.311 nan 8.270 nan 0.000 0.435 268 P HA 0.128 nan 4.420 nan 0.000 0.272 268 P C -1.196 175.642 177.300 -0.770 0.000 1.230 268 P CA -0.141 62.241 63.100 -1.197 0.000 0.788 268 P CB 0.807 31.502 31.700 -1.677 0.000 0.949 269 K N -0.572 119.505 120.400 -0.539 0.000 2.395 269 K HA 0.608 4.928 4.320 -0.001 0.000 0.247 269 K C 0.506 176.934 176.600 -0.287 0.000 0.973 269 K CA -0.391 55.685 56.287 -0.351 0.000 0.828 269 K CB 1.725 34.070 32.500 -0.258 0.000 1.272 269 K HN 0.686 nan 8.250 nan 0.000 0.439 270 G N 0.245 108.938 108.800 -0.177 0.000 2.307 270 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.210 270 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.210 270 G C -0.241 174.637 174.900 -0.036 0.000 1.005 270 G CA -0.410 44.626 45.100 -0.107 0.000 0.634 270 G HN 0.322 nan 8.290 nan 0.000 0.496 271 L N 0.385 121.583 121.223 -0.041 0.000 2.257 271 L HA 0.788 5.127 4.340 -0.001 0.000 0.257 271 L C -0.020 177.007 176.870 0.262 0.000 1.033 271 L CA -1.341 53.574 54.840 0.125 0.000 0.835 271 L CB 1.869 44.027 42.059 0.165 0.000 1.398 271 L HN 0.036 nan 8.230 nan 0.000 0.429 272 L N 2.176 123.614 121.223 0.358 0.000 2.317 272 L HA 0.490 4.830 4.340 -0.001 0.000 0.281 272 L C -2.406 174.710 176.870 0.410 0.000 1.024 272 L CA -1.734 53.300 54.840 0.323 0.000 0.810 272 L CB 1.644 43.825 42.059 0.204 0.000 1.240 272 L HN 0.246 nan 8.230 nan 0.000 0.427 273 P HA 0.148 nan 4.420 nan 0.000 0.287 273 P C -0.191 177.284 177.300 0.291 0.000 1.307 273 P CA -0.115 63.028 63.100 0.072 0.000 0.777 273 P CB 0.752 32.530 31.700 0.130 0.000 0.883 274 H N 1.981 121.117 119.070 0.111 0.000 2.384 274 H HA 0.075 4.630 4.556 -0.001 0.000 0.300 274 H C 0.369 175.557 175.328 -0.233 0.000 1.057 274 H CA 0.942 57.003 56.048 0.021 0.000 1.370 274 H CB 0.541 30.343 29.762 0.066 0.000 1.417 274 H HN 0.549 nan 8.280 nan 0.000 0.527 275 H N -1.317 117.816 119.070 0.106 0.000 2.961 275 H HA 0.375 4.931 4.556 -0.001 0.000 0.371 275 H C -0.323 174.551 175.328 -0.757 0.000 1.190 275 H CA -0.453 55.391 56.048 -0.339 0.000 1.138 275 H CB 2.318 32.005 29.762 -0.124 0.000 1.816 275 H HN 0.280 nan 8.280 nan 0.000 0.551 276 G N 0.659 108.620 108.800 -1.399 0.000 2.566 276 G HA2 0.520 4.479 3.960 -0.001 0.000 0.311 276 G HA3 0.520 4.479 3.960 -0.001 0.000 0.311 276 G C -1.281 173.258 174.900 -0.601 0.000 1.322 276 G CA -0.419 43.934 45.100 -1.244 0.000 0.969 276 G HN 0.344 nan 8.290 nan 0.000 0.490 277 V N 3.001 122.770 119.914 -0.243 0.000 2.569 277 V HA 0.333 4.453 4.120 -0.001 0.000 0.301 277 V C -0.737 175.365 176.094 0.013 0.000 1.044 277 V CA -0.769 61.486 62.300 -0.074 0.000 0.874 277 V CB 1.658 33.470 31.823 -0.017 0.000 1.002 277 V HN 0.710 nan 8.190 nan 0.000 0.424 278 L N 5.549 126.776 121.223 0.007 0.000 2.261 278 L HA 0.778 5.117 4.340 -0.001 0.000 0.289 278 L C 0.647 177.548 176.870 0.051 0.000 1.059 278 L CA 0.300 55.148 54.840 0.013 0.000 0.816 278 L CB 0.651 42.726 42.059 0.027 0.000 1.191 278 L HN 0.787 nan 8.230 nan 0.000 0.431 279 A N 3.153 126.021 122.820 0.080 0.000 2.313 279 A HA 0.416 4.736 4.320 -0.001 0.000 0.261 279 A C 1.261 178.862 177.584 0.028 0.000 1.090 279 A CA 0.259 52.345 52.037 0.082 0.000 0.807 279 A CB 0.229 19.349 19.000 0.198 0.000 1.055 279 A HN 0.961 nan 8.150 nan 0.000 0.492 280 S N 0.274 115.980 115.700 0.011 0.000 2.469 280 S HA -0.159 4.310 4.470 -0.001 0.000 0.238 280 S C 0.934 175.526 174.600 -0.013 0.000 0.998 280 S CA 1.230 59.428 58.200 -0.004 0.000 0.957 280 S CB -0.534 62.654 63.200 -0.019 0.000 0.764 280 S HN 0.886 nan 8.310 nan 0.000 0.514 281 N N 1.612 120.301 118.700 -0.018 0.000 2.270 281 N HA 0.330 5.070 4.740 -0.001 0.000 0.198 281 N C 0.869 176.337 175.510 -0.069 0.000 1.117 281 N CA 0.534 53.560 53.050 -0.040 0.000 0.845 281 N CB -0.392 38.071 38.487 -0.041 0.000 0.980 281 N HN 0.634 nan 8.380 nan 0.000 0.486 285 Y N 5.434 125.720 120.300 -0.024 0.000 2.310 285 Y HA 0.767 5.317 4.550 -0.000 0.000 0.326 285 Y C 0.316 176.237 175.900 0.036 0.000 1.151 285 Y CA -0.225 57.905 58.100 0.050 0.000 1.195 285 Y CB 1.352 39.833 38.460 0.035 0.000 1.210 285 Y HN 0.410 nan 8.280 nan 0.000 0.483 286 I N 2.320 123.071 120.570 0.303 0.000 2.571 286 I HA 0.285 4.454 4.170 -0.001 0.000 0.289 286 I C -0.760 175.466 176.117 0.182 0.000 1.115 286 I CA -0.868 60.526 61.300 0.157 0.000 1.045 286 I CB 2.382 40.490 38.000 0.180 0.000 1.238 286 I HN 0.568 nan 8.210 nan 0.000 0.424 287 T N 1.448 116.058 114.554 0.093 0.000 2.875 287 T HA 0.684 5.033 4.350 -0.001 0.000 0.284 287 T C -0.909 173.847 174.700 0.094 0.000 0.995 287 T CA -0.591 61.621 62.100 0.187 0.000 1.060 287 T CB 1.144 70.154 68.868 0.236 0.000 0.967 287 T HN 0.313 nan 8.240 nan 0.000 0.476 288 Y N 0.006 120.508 120.300 0.337 0.000 2.477 288 Y HA 0.708 5.258 4.550 -0.001 0.000 0.347 288 Y C 0.621 176.672 175.900 0.252 0.000 0.981 288 Y CA -0.686 57.609 58.100 0.324 0.000 1.033 288 Y CB 2.852 41.490 38.460 0.298 0.000 1.245 288 Y HN 1.217 nan 8.280 nan 0.000 0.455 289 G N 0.831 109.878 108.800 0.411 0.000 2.687 289 G HA2 0.571 4.530 3.960 -0.001 0.000 0.291 289 G HA3 0.571 4.530 3.960 -0.001 0.000 0.291 289 G C -1.930 173.159 174.900 0.315 0.000 1.420 289 G CA -0.859 44.402 45.100 0.269 0.000 0.796 289 G HN 0.509 nan 8.290 nan 0.000 0.485 300 K N -0.955 119.476 120.400 0.052 0.000 2.512 300 K HA 0.808 5.128 4.320 -0.001 0.000 0.263 300 K C -0.544 176.150 176.600 0.157 0.000 0.966 300 K CA -0.346 55.967 56.287 0.044 0.000 0.851 300 K CB 2.205 34.807 32.500 0.169 0.000 1.395 300 K HN 1.267 nan 8.250 nan 0.000 0.440 301 G N 0.585 109.517 108.800 0.220 0.000 2.718 301 G HA2 0.603 4.563 3.960 -0.001 0.000 0.295 301 G HA3 0.603 4.563 3.960 -0.001 0.000 0.295 301 G C -1.519 173.693 174.900 0.519 0.000 1.421 301 G CA -0.414 44.910 45.100 0.374 0.000 0.902 301 G HN 0.336 nan 8.290 nan 0.000 0.501 302 Q N -0.824 119.276 119.800 0.500 0.000 2.456 302 Q HA 0.690 5.030 4.340 -0.001 0.000 0.283 302 Q C -1.224 174.985 176.000 0.348 0.000 1.084 302 Q CA -0.989 55.014 55.803 0.333 0.000 0.801 302 Q CB 3.456 32.389 28.738 0.325 0.000 1.434 302 Q HN 0.409 nan 8.270 nan 0.000 0.419 303 V N 0.761 120.702 119.914 0.044 0.000 2.588 303 V HA 0.545 4.665 4.120 -0.001 0.000 0.304 303 V C -1.367 174.828 176.094 0.168 0.000 1.042 303 V CA -0.752 61.637 62.300 0.148 0.000 0.877 303 V CB 1.088 32.819 31.823 -0.152 0.000 0.996 303 V HN 0.666 nan 8.190 nan 0.000 0.425 304 W N 2.998 124.536 121.300 0.397 0.000 2.864 304 W HA 0.737 5.396 4.660 -0.001 0.000 0.343 304 W C -0.281 176.442 176.519 0.340 0.000 1.109 304 W CA -0.836 56.762 57.345 0.421 0.000 1.192 304 W CB 1.949 31.794 29.460 0.641 0.000 1.426 304 W HN 0.509 nan 8.180 nan 0.000 0.529 305 K N 1.600 122.261 120.400 0.434 0.000 2.345 305 K HA 0.704 5.023 4.320 -0.001 0.000 0.255 305 K C -1.621 174.952 176.600 -0.046 0.000 0.934 305 K CA -0.737 55.562 56.287 0.021 0.000 0.801 305 K CB 2.206 34.511 32.500 -0.324 0.000 1.137 305 K HN 0.367 nan 8.250 nan 0.000 0.424 306 F N 3.154 122.787 119.950 -0.528 0.000 2.426 306 F HA 0.328 4.855 4.527 -0.001 0.000 0.348 306 F C -0.518 174.931 175.800 -0.585 0.000 1.124 306 F CA -1.040 56.414 58.000 -0.910 0.000 1.008 306 F CB 1.321 39.389 39.000 -1.554 0.000 1.139 306 F HN 0.660 nan 8.300 nan 0.000 0.452 307 N N 4.015 122.047 118.700 -1.115 0.000 2.405 307 N HA 0.009 4.748 4.740 -0.001 0.000 0.260 307 N C 1.057 175.807 175.510 -1.266 0.000 1.152 307 N CA 0.649 53.163 53.050 -0.892 0.000 0.948 307 N CB 1.262 39.432 38.487 -0.528 0.000 1.111 307 N HN 0.870 nan 8.380 nan 0.000 0.485 308 T N 1.388 115.453 114.554 -0.815 0.000 3.023 308 T HA 0.020 4.369 4.350 -0.001 0.000 0.266 308 T C 1.475 176.043 174.700 -0.221 0.000 1.093 308 T CA 0.792 62.627 62.100 -0.442 0.000 1.129 308 T CB 0.143 68.987 68.868 -0.041 0.000 0.899 308 T HN 0.460 nan 8.240 nan 0.000 0.491 309 R N 0.955 121.312 120.500 -0.239 0.000 2.173 309 R HA 0.125 4.465 4.340 -0.001 0.000 0.208 309 R C 2.683 178.903 176.300 -0.134 0.000 1.035 309 R CA 1.443 57.463 56.100 -0.133 0.000 1.004 309 R CB -0.106 30.127 30.300 -0.110 0.000 0.917 309 R HN 0.650 nan 8.270 nan 0.000 0.462 310 T N -4.748 109.679 114.554 -0.211 0.000 2.987 310 T HA 0.251 4.601 4.350 -0.001 0.000 0.248 310 T C 1.432 176.049 174.700 -0.139 0.000 0.997 310 T CA 0.617 62.627 62.100 -0.150 0.000 1.013 310 T CB 1.079 69.864 68.868 -0.138 0.000 1.077 310 T HN 0.282 nan 8.240 nan 0.000 0.483 311 G N 1.193 109.814 108.800 -0.298 0.000 2.179 311 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.220 311 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.220 311 G C -0.186 174.677 174.900 -0.062 0.000 0.990 311 G CA 0.154 45.179 45.100 -0.124 0.000 0.646 311 G HN 0.829 nan 8.290 nan 0.000 0.517 312 E N -0.258 119.820 120.200 -0.204 0.000 2.338 312 E HA 0.391 4.741 4.350 -0.001 0.000 0.272 312 E C -0.552 176.020 176.600 -0.048 0.000 1.029 312 E CA -0.774 55.606 56.400 -0.033 0.000 0.872 312 E CB 0.391 30.064 29.700 -0.045 0.000 1.015 312 E HN 0.298 nan 8.360 nan 0.000 0.417 313 W N 4.493 125.914 121.300 0.203 0.000 2.478 313 W HA 0.417 5.076 4.660 -0.001 0.000 0.318 313 W C -0.698 176.037 176.519 0.360 0.000 1.062 313 W CA -0.445 57.105 57.345 0.342 0.000 1.210 313 W CB 0.893 30.542 29.460 0.315 0.000 1.325 313 W HN 0.357 nan 8.180 nan 0.000 0.496 314 I N 3.037 123.935 120.570 0.547 0.000 2.436 314 I HA 0.123 4.293 4.170 -0.001 0.000 0.289 314 I C -0.264 175.870 176.117 0.029 0.000 1.010 314 I CA -0.759 60.690 61.300 0.248 0.000 1.098 314 I CB 1.453 39.502 38.000 0.080 0.000 1.266 314 I HN 0.207 nan 8.210 nan 0.000 0.434 315 D N 6.786 126.900 120.400 -0.477 0.000 2.343 315 D HA 0.263 4.902 4.640 -0.001 0.000 0.255 315 D C 0.359 176.391 176.300 -0.447 0.000 1.187 315 D CA 0.044 53.397 54.000 -1.079 0.000 0.875 315 D CB 0.874 40.947 40.800 -1.211 0.000 1.136 315 D HN 0.549 nan 8.370 nan 0.000 0.469 316 I N 0.202 120.575 120.570 -0.329 0.000 3.658 316 I HA 0.226 4.395 4.170 -0.001 0.000 0.328 316 I C -0.055 176.038 176.117 -0.040 0.000 1.567 316 I CA -0.692 60.602 61.300 -0.011 0.000 1.078 316 I CB 0.353 38.473 38.000 0.200 0.000 1.267 316 I HN -0.029 nan 8.210 nan 0.000 0.495 317 T N 3.570 117.932 114.554 -0.319 0.000 2.829 317 T HA 0.095 4.445 4.350 -0.001 0.000 0.293 317 T C -1.453 172.863 174.700 -0.639 0.000 0.970 317 T CA -0.372 61.406 62.100 -0.537 0.000 1.168 317 T CB 0.643 69.307 68.868 -0.339 0.000 0.911 317 T HN 0.160 nan 8.240 nan 0.000 0.535 318 P HA 0.021 nan 4.420 nan 0.000 0.216 318 P C 0.129 177.020 177.300 -0.681 0.000 1.150 318 P CA 1.054 63.320 63.100 -1.390 0.000 0.843 318 P CB 0.171 30.422 31.700 -2.415 0.000 0.787 319 I N -1.153 119.146 120.570 -0.452 0.000 2.436 319 I HA 0.305 4.474 4.170 -0.001 0.000 0.289 319 I C -2.534 173.515 176.117 -0.113 0.000 1.010 319 I CA -3.095 58.094 61.300 -0.184 0.000 1.098 319 I CB 2.310 40.252 38.000 -0.096 0.000 1.266 319 I HN -0.353 nan 8.210 nan 0.000 0.434 320 P HA -0.071 nan 4.420 nan 0.000 0.265 320 P C 0.047 177.346 177.300 -0.001 0.000 1.193 320 P CA 0.187 63.263 63.100 -0.040 0.000 0.765 320 P CB 0.370 32.052 31.700 -0.030 0.000 0.823 321 Y N 2.991 123.251 120.300 -0.067 0.000 2.439 321 Y HA -0.168 4.381 4.550 -0.001 0.000 0.292 321 Y C 1.904 177.781 175.900 -0.039 0.000 1.130 321 Y CA 1.868 59.942 58.100 -0.042 0.000 1.254 321 Y CB -0.047 38.410 38.460 -0.005 0.000 1.000 321 Y HN 0.345 nan 8.280 nan 0.000 0.554 322 S N -1.535 114.182 115.700 0.029 0.000 2.528 322 S HA 0.056 4.525 4.470 -0.001 0.000 0.219 322 S C 1.068 175.616 174.600 -0.087 0.000 0.985 322 S CA 0.106 58.286 58.200 -0.035 0.000 0.914 322 S CB -0.454 62.774 63.200 0.047 0.000 0.776 322 S HN 0.248 nan 8.310 nan 0.000 0.526 323 S N 2.072 117.721 115.700 -0.085 0.000 2.564 323 S HA 0.285 4.755 4.470 -0.001 0.000 0.278 323 S C 1.217 175.736 174.600 -0.135 0.000 1.333 323 S CA 0.048 58.197 58.200 -0.084 0.000 1.048 323 S CB 0.839 64.004 63.200 -0.059 0.000 0.900 323 S HN 0.588 nan 8.310 nan 0.000 0.505 324 S N 2.637 118.279 115.700 -0.097 0.000 2.593 324 S HA 0.037 4.507 4.470 -0.001 0.000 0.217 324 S C 0.815 175.365 174.600 -0.084 0.000 0.966 324 S CA 0.160 58.298 58.200 -0.104 0.000 0.914 324 S CB -0.146 63.016 63.200 -0.063 0.000 0.776 324 S HN 0.740 nan 8.310 nan 0.000 0.523 325 D N 2.389 122.751 120.400 -0.063 0.000 2.218 325 D HA -0.046 4.594 4.640 -0.001 0.000 0.204 325 D C 0.622 176.787 176.300 -0.225 0.000 0.976 325 D CA 0.663 54.639 54.000 -0.040 0.000 0.853 325 D CB -0.558 40.258 40.800 0.027 0.000 0.939 325 D HN 0.419 nan 8.370 nan 0.000 0.481 326 N N 1.187 119.699 118.700 -0.312 0.000 2.406 326 N HA -0.019 4.721 4.740 -0.001 0.000 0.269 326 N C -0.007 175.187 175.510 -0.527 0.000 1.210 326 N CA 0.121 52.848 53.050 -0.538 0.000 0.966 326 N CB 0.108 38.381 38.487 -0.357 0.000 1.293 326 N HN 0.219 nan 8.380 nan 0.000 0.491 327 R N 2.158 122.223 120.500 -0.726 0.000 2.615 327 R HA 0.247 4.586 4.340 -0.001 0.000 0.448 327 R C -0.817 175.379 176.300 -0.173 0.000 1.009 327 R CA -0.476 55.439 56.100 -0.308 0.000 1.111 327 R CB -0.288 29.982 30.300 -0.050 0.000 1.461 327 R HN 0.187 nan 8.270 nan 0.000 0.587 328 F N -2.090 117.782 119.950 -0.131 0.000 2.654 328 F HA 0.556 5.083 4.527 -0.000 0.000 0.308 328 F C -0.287 175.370 175.800 -0.238 0.000 1.108 328 F CA -2.281 55.620 58.000 -0.166 0.000 0.957 328 F CB 0.222 39.090 39.000 -0.221 0.000 1.309 328 F HN -0.212 nan 8.300 nan 0.000 0.446 329 C N 1.635 120.978 119.300 0.072 0.000 2.641 329 C HA 0.178 4.637 4.460 -0.001 0.000 0.412 329 C C 0.068 175.002 174.990 -0.093 0.000 1.312 329 C CA -0.216 58.812 59.018 0.017 0.000 1.838 329 C CB -1.276 26.444 27.740 -0.032 0.000 2.682 329 C HN 0.533 nan 8.230 nan 0.000 0.627 330 F N 1.270 121.293 119.950 0.122 0.000 2.411 330 F HA 0.514 5.041 4.527 -0.001 0.000 0.350 330 F C 0.849 176.629 175.800 -0.033 0.000 1.114 330 F CA 0.163 58.208 58.000 0.075 0.000 1.135 330 F CB 0.834 39.873 39.000 0.066 0.000 1.120 330 F HN 0.789 nan 8.300 nan 0.000 0.495 331 A N 2.786 125.684 122.820 0.131 0.000 2.007 331 A HA 0.487 4.807 4.320 -0.001 0.000 0.200 331 A C 1.265 179.033 177.584 0.306 0.000 2.019 331 A CA 0.417 52.492 52.037 0.063 0.000 1.002 331 A CB -0.946 18.048 19.000 -0.009 0.000 1.213 331 A HN 0.769 nan 8.150 nan 0.000 0.635 332 G N 0.193 109.132 108.800 0.233 0.000 2.353 332 G HA2 0.430 4.390 3.960 -0.001 0.000 0.239 332 G HA3 0.430 4.390 3.960 -0.001 0.000 0.239 332 G C -0.766 174.192 174.900 0.097 0.000 1.295 332 G CA 0.370 45.556 45.100 0.144 0.000 0.884 332 G HN 0.823 nan 8.290 nan 0.000 0.537 333 L N 2.432 123.632 121.223 -0.040 0.000 2.439 333 L HA 0.793 5.133 4.340 -0.001 0.000 0.270 333 L C -0.244 176.576 176.870 -0.082 0.000 0.972 333 L CA -0.686 54.144 54.840 -0.017 0.000 0.836 333 L CB 1.816 43.895 42.059 0.034 0.000 1.255 333 L HN 0.792 nan 8.230 nan 0.000 0.404 334 A N 4.597 127.390 122.820 -0.046 0.000 2.371 334 A HA 0.884 5.204 4.320 -0.001 0.000 0.311 334 A C -1.560 175.951 177.584 -0.122 0.000 1.068 334 A CA -0.557 51.440 52.037 -0.066 0.000 0.744 334 A CB 1.860 20.846 19.000 -0.023 0.000 1.239 334 A HN 0.536 nan 8.150 nan 0.000 0.435 335 V N 2.154 121.983 119.914 -0.142 0.000 2.588 335 V HA 0.299 4.419 4.120 -0.001 0.000 0.304 335 V C -0.562 175.438 176.094 -0.158 0.000 1.042 335 V CA -0.783 61.401 62.300 -0.194 0.000 0.877 335 V CB 1.898 33.611 31.823 -0.182 0.000 0.996 335 V HN 0.954 nan 8.190 nan 0.000 0.425 336 D N 3.302 123.602 120.400 -0.166 0.000 2.371 336 D HA 0.070 4.710 4.640 -0.001 0.000 0.256 336 D C 1.152 177.363 176.300 -0.149 0.000 1.193 336 D CA 0.116 54.022 54.000 -0.157 0.000 0.881 336 D CB 0.926 41.639 40.800 -0.145 0.000 1.143 336 D HN 0.512 nan 8.370 nan 0.000 0.473 337 R N 2.955 123.349 120.500 -0.177 0.000 2.148 337 R HA -0.119 4.221 4.340 -0.001 0.000 0.227 337 R C 1.389 177.598 176.300 -0.151 0.000 1.103 337 R CA 1.157 57.154 56.100 -0.172 0.000 0.983 337 R CB 0.282 30.432 30.300 -0.249 0.000 0.874 337 R HN 0.601 nan 8.270 nan 0.000 0.451 338 Q N -0.835 118.875 119.800 -0.151 0.000 2.354 338 Q HA 0.022 4.361 4.340 -0.001 0.000 0.203 338 Q C -0.027 175.919 176.000 -0.091 0.000 0.933 338 Q CA 0.340 56.073 55.803 -0.117 0.000 0.901 338 Q CB 0.399 29.072 28.738 -0.109 0.000 1.007 338 Q HN 0.032 nan 8.270 nan 0.000 0.495 339 N N 0.107 118.749 118.700 -0.098 0.000 2.607 339 N HA 0.122 4.862 4.740 -0.001 0.000 0.271 339 N C -2.406 173.047 175.510 -0.096 0.000 1.142 339 N CA -1.864 51.133 53.050 -0.090 0.000 0.810 339 N CB 1.451 39.880 38.487 -0.095 0.000 1.306 339 N HN -0.196 nan 8.380 nan 0.000 0.536 340 P HA -0.043 nan 4.420 nan 0.000 0.226 340 P C 0.187 177.466 177.300 -0.034 0.000 1.146 340 P CA 0.856 63.937 63.100 -0.031 0.000 0.773 340 P CB 0.623 32.328 31.700 0.009 0.000 0.772 341 D N -0.411 119.941 120.400 -0.081 0.000 2.333 341 D HA 0.093 4.732 4.640 -0.001 0.000 0.208 341 D C 0.929 177.099 176.300 -0.215 0.000 0.984 341 D CA 0.289 54.219 54.000 -0.117 0.000 0.873 341 D CB 0.097 40.829 40.800 -0.113 0.000 0.935 341 D HN 0.272 nan 8.370 nan 0.000 0.521 342 I N 2.662 123.105 120.570 -0.212 0.000 2.322 342 I HA 0.198 4.368 4.170 -0.001 0.000 0.292 342 I C 0.559 176.504 176.117 -0.286 0.000 1.060 342 I CA -0.250 60.902 61.300 -0.247 0.000 1.309 342 I CB 0.486 38.371 38.000 -0.191 0.000 1.415 342 I HN -0.112 nan 8.210 nan 0.000 0.492 346 T N -0.396 114.293 114.554 0.224 0.000 2.893 346 T HA 0.851 5.200 4.350 -0.001 0.000 0.291 346 T C 0.225 175.011 174.700 0.143 0.000 1.028 346 T CA 0.041 62.225 62.100 0.140 0.000 0.995 346 T CB 1.624 70.489 68.868 -0.006 0.000 1.051 346 T HN 2.245 nan 8.240 nan 0.000 0.470 350 A N 1.185 123.731 122.820 -0.457 0.000 1.968 350 A HA 0.038 4.358 4.320 -0.001 0.000 0.217 350 A C 0.716 178.439 177.584 0.232 0.000 1.169 350 A CA 1.503 53.498 52.037 -0.069 0.000 0.638 350 A CB -0.817 18.102 19.000 -0.135 0.000 0.812 350 A HN 0.996 nan 8.150 nan 0.000 0.446 351 W N -4.141 117.242 121.300 0.139 0.000 0.900 351 W HA -0.291 4.368 4.660 -0.001 0.000 0.229 351 W C 0.652 177.285 176.519 0.189 0.000 1.073 351 W CA 1.361 58.791 57.345 0.142 0.000 1.115 351 W CB -1.352 28.188 29.460 0.133 0.000 1.738 351 W HN 0.517 nan 8.180 nan 0.000 0.519 352 W N 3.788 125.278 121.300 0.316 0.000 2.632 352 W HA 0.505 5.165 4.660 -0.001 0.000 0.328 352 W C -1.572 175.100 176.519 0.255 0.000 1.044 352 W CA -1.857 55.619 57.345 0.218 0.000 1.225 352 W CB 1.222 30.814 29.460 0.220 0.000 1.396 352 W HN -0.356 nan 8.180 nan 0.000 0.499 353 P HA 0.019 nan 4.420 nan 0.000 0.224 353 P C -0.317 176.629 177.300 -0.590 0.000 1.157 353 P CA 1.307 63.717 63.100 -1.150 0.000 0.799 353 P CB 0.851 31.646 31.700 -1.508 0.000 0.809 354 D N -1.912 118.201 120.400 -0.479 0.000 2.768 354 D HA 0.185 4.825 4.640 -0.001 0.000 0.327 354 D C -0.695 175.523 176.300 -0.136 0.000 1.302 354 D CA -0.433 53.388 54.000 -0.298 0.000 0.897 354 D CB 1.137 41.638 40.800 -0.499 0.000 1.420 354 D HN -0.316 nan 8.370 nan 0.000 0.494 355 E N -0.093 120.046 120.200 -0.103 0.000 2.342 355 E HA 0.257 4.606 4.350 -0.001 0.000 0.257 355 E C -0.612 175.922 176.600 -0.111 0.000 1.150 355 E CA -0.051 56.285 56.400 -0.108 0.000 0.926 355 E CB 0.377 29.982 29.700 -0.158 0.000 1.074 355 E HN 0.341 nan 8.360 nan 0.000 0.449 356 Y N -0.097 120.042 120.300 -0.269 0.000 2.360 356 Y HA 0.416 4.965 4.550 -0.000 0.000 0.337 356 Y C 0.256 175.942 175.900 -0.356 0.000 1.039 356 Y CA -0.531 57.320 58.100 -0.415 0.000 1.109 356 Y CB 1.149 39.353 38.460 -0.426 0.000 1.201 356 Y HN 0.167 nan 8.280 nan 0.000 0.458 357 I N 4.645 125.028 120.570 -0.311 0.000 2.448 357 I HA 0.243 4.413 4.170 -0.001 0.000 0.281 357 I C -1.243 174.855 176.117 -0.032 0.000 1.027 357 I CA -0.403 60.823 61.300 -0.124 0.000 1.111 357 I CB 0.691 38.593 38.000 -0.163 0.000 1.236 357 I HN 0.414 nan 8.210 nan 0.000 0.452 358 F N 5.112 125.181 119.950 0.198 0.000 2.404 358 F HA 0.567 5.094 4.527 -0.000 0.000 0.339 358 F C 0.550 176.546 175.800 0.327 0.000 1.105 358 F CA -0.423 57.732 58.000 0.257 0.000 1.087 358 F CB 1.278 40.304 39.000 0.042 0.000 1.143 358 F HN 0.356 nan 8.300 nan 0.000 0.491 359 R N 1.533 122.246 120.500 0.354 0.000 2.599 359 R HA 0.639 4.978 4.340 -0.001 0.000 0.295 359 R C -1.267 174.933 176.300 -0.168 0.000 0.963 359 R CA -0.487 55.572 56.100 -0.069 0.000 0.883 359 R CB 1.803 31.605 30.300 -0.831 0.000 1.171 359 R HN 0.681 nan 8.270 nan 0.000 0.450 360 S N 0.936 116.379 115.700 -0.429 0.000 2.521 360 S HA 0.275 4.745 4.470 -0.001 0.000 0.295 360 S C 0.279 174.584 174.600 -0.491 0.000 1.098 360 S CA -0.511 57.278 58.200 -0.684 0.000 0.999 360 S CB 1.616 63.986 63.200 -1.383 0.000 1.034 360 S HN 0.728 nan 8.310 nan 0.000 0.483 361 T N -0.169 114.145 114.554 -0.400 0.000 3.085 361 T HA 0.249 4.599 4.350 -0.001 0.000 0.264 361 T C -0.137 174.412 174.700 -0.252 0.000 1.019 361 T CA 0.050 61.972 62.100 -0.296 0.000 0.910 361 T CB -0.344 68.377 68.868 -0.245 0.000 1.059 361 T HN 0.621 nan 8.240 nan 0.000 0.542 362 D N 0.200 120.422 120.400 -0.297 0.000 2.895 362 D HA 0.375 5.015 4.640 -0.001 0.000 0.350 362 D C 1.219 177.378 176.300 -0.235 0.000 1.389 362 D CA -0.510 53.352 54.000 -0.230 0.000 0.812 362 D CB -0.234 40.444 40.800 -0.202 0.000 1.164 362 D HN 0.275 nan 8.370 nan 0.000 0.455 363 G N -0.091 108.566 108.800 -0.239 0.000 2.258 363 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.274 363 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.274 363 G C 1.208 176.017 174.900 -0.151 0.000 1.021 363 G CA 0.503 45.530 45.100 -0.120 0.000 0.798 363 G HN 1.544 nan 8.290 nan 0.000 0.507 364 G N -1.951 106.549 108.800 -0.500 0.000 2.176 364 G HA2 0.099 4.058 3.960 -0.001 0.000 0.232 364 G HA3 0.099 4.058 3.960 -0.001 0.000 0.232 364 G C 1.633 176.290 174.900 -0.404 0.000 0.986 364 G CA 1.203 45.928 45.100 -0.624 0.000 0.643 364 G HN 1.997 nan 8.290 nan 0.000 0.522 365 A N -0.875 121.763 122.820 -0.304 0.000 1.883 365 A HA 0.365 4.685 4.320 -0.001 0.000 0.217 365 A C 1.489 178.959 177.584 -0.190 0.000 1.186 365 A CA 2.768 54.695 52.037 -0.183 0.000 0.624 365 A CB -0.212 18.700 19.000 -0.146 0.000 0.822 365 A HN 1.406 nan 8.150 nan 0.000 0.444 366 T N -2.188 112.173 114.554 -0.323 0.000 2.900 366 T HA 0.525 4.875 4.350 -0.001 0.000 0.295 366 T C -1.984 172.474 174.700 -0.403 0.000 1.044 366 T CA -0.528 61.438 62.100 -0.224 0.000 0.995 366 T CB 0.659 69.459 68.868 -0.113 0.000 1.072 366 T HN 0.335 nan 8.240 nan 0.000 0.473 367 W N 3.236 124.495 121.300 -0.068 0.000 2.761 367 W HA 0.642 5.302 4.660 -0.001 0.000 0.340 367 W C -0.360 176.212 176.519 0.089 0.000 1.072 367 W CA -0.895 56.440 57.345 -0.017 0.000 1.215 367 W CB 1.298 30.721 29.460 -0.062 0.000 1.420 367 W HN 0.547 nan 8.180 nan 0.000 0.519 368 K N 1.702 122.314 120.400 0.354 0.000 2.345 368 K HA 0.542 4.862 4.320 -0.001 0.000 0.255 368 K C -0.919 175.952 176.600 0.452 0.000 0.934 368 K CA -0.883 55.600 56.287 0.327 0.000 0.801 368 K CB 1.995 34.567 32.500 0.119 0.000 1.137 368 K HN 0.381 nan 8.250 nan 0.000 0.424 369 N N 2.257 121.135 118.700 0.295 0.000 2.513 369 N HA 0.117 4.857 4.740 -0.001 0.000 0.274 369 N C 0.552 176.153 175.510 0.152 0.000 1.189 369 N CA -0.507 52.446 53.050 -0.162 0.000 0.975 369 N CB 0.877 38.937 38.487 -0.712 0.000 1.157 369 N HN 0.823 nan 8.380 nan 0.000 0.465 370 I N 1.414 121.953 120.570 -0.053 0.000 2.916 370 I HA 0.007 4.177 4.170 -0.001 0.000 0.267 370 I C -0.242 175.889 176.117 0.023 0.000 1.263 370 I CA 0.288 61.444 61.300 -0.240 0.000 1.471 370 I CB -0.038 37.678 38.000 -0.473 0.000 1.089 370 I HN 0.491 nan 8.210 nan 0.000 0.468 371 W N 0.421 121.641 121.300 -0.134 0.000 3.083 371 W HA 0.629 5.289 4.660 -0.000 0.000 0.333 371 W C -1.289 175.107 176.519 -0.204 0.000 1.217 371 W CA -0.893 56.309 57.345 -0.239 0.000 1.170 371 W CB 0.504 29.768 29.460 -0.326 0.000 1.437 371 W HN -0.242 nan 8.180 nan 0.000 0.557 372 E N 0.445 120.705 120.200 0.100 0.000 2.312 372 E HA 0.294 4.644 4.350 -0.001 0.000 0.267 372 E C -1.365 175.361 176.600 0.210 0.000 0.894 372 E CA -0.808 55.664 56.400 0.121 0.000 0.773 372 E CB 2.405 32.207 29.700 0.169 0.000 1.241 372 E HN 0.356 nan 8.360 nan 0.000 0.432 373 W N 0.882 122.377 121.300 0.326 0.000 2.181 373 W HA 0.378 5.038 4.660 -0.001 0.000 0.335 373 W C 0.840 177.454 176.519 0.158 0.000 1.310 373 W CA -0.005 57.497 57.345 0.261 0.000 1.226 373 W CB 0.807 30.442 29.460 0.292 0.000 1.155 373 W HN 0.521 nan 8.180 nan 0.000 0.565 377 P HA 0.230 nan 4.420 nan 0.000 0.259 377 P C -1.317 175.769 177.300 -0.357 0.000 1.530 377 P CA 0.345 63.063 63.100 -0.638 0.000 1.022 377 P CB 0.496 32.021 31.700 -0.290 0.000 1.514 378 E N 0.556 120.719 120.200 -0.061 0.000 2.292 378 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 378 E C -0.864 175.748 176.600 0.019 0.000 0.881 378 E CA -0.861 55.513 56.400 -0.042 0.000 0.754 378 E CB 1.624 31.316 29.700 -0.013 0.000 1.201 378 E HN -0.114 nan 8.360 nan 0.000 0.425 379 R N 3.838 124.255 120.500 -0.139 0.000 2.686 379 R HA 0.493 4.832 4.340 -0.001 0.000 0.283 379 R C -0.592 175.596 176.300 -0.187 0.000 0.978 379 R CA -0.927 55.048 56.100 -0.208 0.000 0.897 379 R CB 1.631 31.606 30.300 -0.542 0.000 1.192 379 R HN 0.532 nan 8.270 nan 0.000 0.457 380 I N 4.230 124.715 120.570 -0.141 0.000 2.297 380 I HA 0.207 4.376 4.170 -0.001 0.000 0.291 380 I C -0.102 175.781 176.117 -0.389 0.000 1.033 380 I CA -0.445 60.719 61.300 -0.227 0.000 1.253 380 I CB 0.705 38.602 38.000 -0.172 0.000 1.396 380 I HN 0.281 nan 8.210 nan 0.000 0.476 381 L N 6.681 127.643 121.223 -0.434 0.000 2.260 381 L HA 0.282 4.622 4.340 -0.001 0.000 0.289 381 L C 0.268 176.823 176.870 -0.525 0.000 1.057 381 L CA -0.498 54.020 54.840 -0.538 0.000 0.811 381 L CB 0.126 41.683 42.059 -0.836 0.000 1.184 381 L HN 0.607 nan 8.230 nan 0.000 0.429 382 H N 2.925 121.880 119.070 -0.192 0.000 2.708 382 H HA 0.202 4.758 4.556 -0.000 0.000 0.309 382 H C -0.910 174.261 175.328 -0.261 0.000 1.084 382 H CA -0.197 55.690 56.048 -0.267 0.000 1.165 382 H CB -0.432 29.077 29.762 -0.422 0.000 1.388 382 H HN 0.564 nan 8.280 nan 0.000 0.553 383 Y N -2.339 117.822 120.300 -0.232 0.000 2.581 383 Y HA 0.517 5.067 4.550 -0.001 0.000 0.337 383 Y C -1.372 174.428 175.900 -0.167 0.000 1.108 383 Y CA -1.562 56.408 58.100 -0.216 0.000 1.033 383 Y CB 1.322 39.631 38.460 -0.252 0.000 1.318 383 Y HN -0.030 nan 8.280 nan 0.000 0.459 384 E N 2.756 122.938 120.200 -0.031 0.000 2.235 384 E HA 0.685 5.034 4.350 -0.001 0.000 0.265 384 E C -1.281 175.378 176.600 0.098 0.000 0.940 384 E CA -1.112 55.256 56.400 -0.053 0.000 0.819 384 E CB 2.986 32.643 29.700 -0.072 0.000 1.206 384 E HN 0.606 nan 8.360 nan 0.000 0.409 385 I N 1.271 121.864 120.570 0.038 0.000 2.389 385 I HA 0.213 4.383 4.170 -0.001 0.000 0.288 385 I C -0.689 175.412 176.117 -0.027 0.000 0.999 385 I CA -0.670 60.609 61.300 -0.034 0.000 1.129 385 I CB 1.479 39.410 38.000 -0.115 0.000 1.288 385 I HN 0.398 nan 8.210 nan 0.000 0.444 386 D N 7.821 128.213 120.400 -0.014 0.000 2.349 386 D HA 0.331 4.971 4.640 -0.001 0.000 0.232 386 D C 0.223 176.540 176.300 0.028 0.000 1.071 386 D CA -0.374 53.629 54.000 0.005 0.000 0.832 386 D CB 1.588 42.395 40.800 0.011 0.000 1.086 386 D HN 0.617 nan 8.370 nan 0.000 0.504 387 I N 1.328 121.904 120.570 0.011 0.000 3.762 387 I HA 0.119 4.288 4.170 -0.001 0.000 0.333 387 I C 1.502 177.585 176.117 -0.057 0.000 1.566 387 I CA -0.514 60.778 61.300 -0.014 0.000 1.129 387 I CB 0.292 38.273 38.000 -0.031 0.000 1.218 387 I HN 0.111 nan 8.210 nan 0.000 0.456 388 S N 1.732 117.416 115.700 -0.027 0.000 2.419 388 S HA -0.149 4.321 4.470 -0.001 0.000 0.235 388 S C 1.957 176.533 174.600 -0.040 0.000 1.019 388 S CA 1.147 59.330 58.200 -0.028 0.000 0.982 388 S CB -0.338 62.856 63.200 -0.010 0.000 0.789 388 S HN 0.630 nan 8.310 nan 0.000 0.490 389 A N 0.684 123.478 122.820 -0.043 0.000 2.169 389 A HA 0.714 5.034 4.320 -0.001 0.000 0.212 389 A C 1.237 178.765 177.584 -0.093 0.000 1.153 389 A CA 0.550 52.562 52.037 -0.041 0.000 0.756 389 A CB -0.263 18.732 19.000 -0.008 0.000 0.813 389 A HN 1.236 nan 8.150 nan 0.000 0.471 390 A N -0.502 122.195 122.820 -0.204 0.000 3.124 390 A HA 0.587 4.906 4.320 -0.001 0.000 0.295 390 A C -2.361 174.845 177.584 -0.631 0.000 1.199 390 A CA -0.590 51.182 52.037 -0.443 0.000 0.845 390 A CB 0.341 18.978 19.000 -0.606 0.000 1.381 390 A HN 0.042 nan 8.150 nan 0.000 0.537 391 P HA -0.100 nan 4.420 nan 0.000 0.234 391 P C 1.430 178.660 177.300 -0.116 0.000 1.167 391 P CA 0.617 63.614 63.100 -0.171 0.000 0.763 391 P CB -0.140 31.531 31.700 -0.049 0.000 0.835 392 W N -1.104 120.186 121.300 -0.017 0.000 2.611 392 W HA 0.029 4.689 4.660 -0.001 0.000 0.251 392 W C 0.747 177.209 176.519 -0.095 0.000 1.265 392 W CA 0.028 57.339 57.345 -0.056 0.000 1.295 392 W CB -1.498 27.959 29.460 -0.006 0.000 1.129 392 W HN -0.057 nan 8.180 nan 0.000 0.630 393 L N 2.116 123.139 121.223 -0.334 0.000 2.362 393 L HA -0.192 4.148 4.340 -0.001 0.000 0.219 393 L C 1.942 179.071 176.870 0.432 0.000 1.134 393 L CA 1.726 56.538 54.840 -0.046 0.000 0.807 393 L CB -0.581 41.301 42.059 -0.296 0.000 0.927 393 L HN -0.050 nan 8.230 nan 0.000 0.447 394 D N -3.030 117.554 120.400 0.307 0.000 2.339 394 D HA -0.198 4.442 4.640 -0.001 0.000 0.217 394 D C 0.875 177.474 176.300 0.499 0.000 1.050 394 D CA -0.313 53.899 54.000 0.353 0.000 0.856 394 D CB -0.276 40.636 40.800 0.186 0.000 0.922 394 D HN 0.222 nan 8.370 nan 0.000 0.518 395 W N 0.865 122.291 121.300 0.210 0.000 4.233 395 W HA -0.252 4.408 4.660 -0.000 0.000 0.328 395 W C 1.225 177.816 176.519 0.121 0.000 1.212 395 W CA 0.545 58.002 57.345 0.188 0.000 0.752 395 W CB -1.716 27.834 29.460 0.151 0.000 2.277 395 W HN 0.443 nan 8.180 nan 0.000 1.465 396 G N 0.795 109.734 108.800 0.231 0.000 2.337 396 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.290 396 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.290 396 G C 0.129 175.117 174.900 0.147 0.000 1.003 396 G CA 1.108 46.300 45.100 0.154 0.000 0.825 396 G HN 0.317 nan 8.290 nan 0.000 0.509 397 T N -0.210 114.450 114.554 0.177 0.000 2.881 397 T HA 0.453 4.803 4.350 -0.001 0.000 0.291 397 T C -0.336 174.425 174.700 0.101 0.000 0.990 397 T CA -0.612 61.569 62.100 0.134 0.000 0.976 397 T CB 2.171 71.130 68.868 0.152 0.000 0.970 397 T HN 0.330 nan 8.240 nan 0.000 0.438 398 E N 2.955 123.195 120.200 0.065 0.000 2.289 398 E HA 0.229 4.579 4.350 -0.001 0.000 0.278 398 E C -0.312 176.305 176.600 0.028 0.000 1.032 398 E CA -0.679 55.745 56.400 0.039 0.000 0.854 398 E CB 0.527 30.243 29.700 0.027 0.000 1.046 398 E HN 0.261 nan 8.360 nan 0.000 0.409 399 K N 2.873 123.279 120.400 0.010 0.000 2.118 399 K HA 0.198 4.518 4.320 -0.001 0.000 0.254 399 K C -0.297 176.297 176.600 -0.010 0.000 0.961 399 K CA -0.662 55.625 56.287 0.001 0.000 0.876 399 K CB 1.346 33.837 32.500 -0.014 0.000 1.077 399 K HN 0.556 nan 8.250 nan 0.000 0.440 400 Q N 1.765 121.566 119.800 0.003 0.000 2.286 400 Q HA 0.207 4.547 4.340 -0.001 0.000 0.257 400 Q C -0.439 175.551 176.000 -0.016 0.000 0.941 400 Q CA -0.395 55.409 55.803 0.003 0.000 0.912 400 Q CB 0.632 29.388 28.738 0.029 0.000 1.192 400 Q HN 0.426 nan 8.270 nan 0.000 0.410 401 L N 6.563 127.754 121.223 -0.052 0.000 2.485 401 L HA 0.041 4.381 4.340 -0.001 0.000 0.275 401 L C -1.411 175.403 176.870 -0.095 0.000 1.207 401 L CA -0.832 53.939 54.840 -0.115 0.000 0.855 401 L CB 0.420 42.394 42.059 -0.143 0.000 1.114 401 L HN 0.701 nan 8.230 nan 0.000 0.485 402 P HA 0.079 nan 4.420 nan 0.000 0.267 402 P C -0.149 176.925 177.300 -0.377 0.000 1.289 402 P CA 0.007 62.924 63.100 -0.306 0.000 0.866 402 P CB 0.418 31.911 31.700 -0.344 0.000 1.309 403 E N 0.942 120.990 120.200 -0.255 0.000 2.413 403 E HA 0.207 4.557 4.350 -0.001 0.000 0.263 403 E C 0.017 176.503 176.600 -0.191 0.000 1.015 403 E CA 0.414 56.672 56.400 -0.235 0.000 0.916 403 E CB 0.468 30.117 29.700 -0.085 0.000 0.947 403 E HN 0.225 nan 8.360 nan 0.000 0.440 404 I N 2.617 123.072 120.570 -0.192 0.000 2.534 404 I HA 0.229 4.399 4.170 -0.001 0.000 0.288 404 I C -0.608 175.474 176.117 -0.058 0.000 1.077 404 I CA -1.002 60.219 61.300 -0.131 0.000 1.051 404 I CB 1.797 39.691 38.000 -0.177 0.000 1.234 404 I HN 0.310 nan 8.210 nan 0.000 0.425 405 N N 6.677 125.374 118.700 -0.005 0.000 2.456 405 N HA 0.495 5.235 4.740 -0.001 0.000 0.288 405 N C -2.425 173.121 175.510 0.061 0.000 1.059 405 N CA -1.414 51.676 53.050 0.067 0.000 0.946 405 N CB 1.185 39.742 38.487 0.116 0.000 1.150 405 N HN 0.357 nan 8.380 nan 0.000 0.479 406 P HA 0.200 nan 4.420 nan 0.000 0.274 406 P C -0.569 176.797 177.300 0.111 0.000 1.231 406 P CA -0.208 62.986 63.100 0.156 0.000 0.790 406 P CB 1.310 33.108 31.700 0.163 0.000 0.951 407 K N 1.180 121.684 120.400 0.173 0.000 2.126 407 K HA 0.220 4.540 4.320 -0.001 0.000 0.257 407 K C 1.647 178.272 176.600 0.041 0.000 1.007 407 K CA -0.659 55.695 56.287 0.113 0.000 0.928 407 K CB 0.537 33.181 32.500 0.239 0.000 1.013 407 K HN 0.341 nan 8.250 nan 0.000 0.473 408 L N 0.851 122.015 121.223 -0.099 0.000 2.043 408 L HA -0.225 4.115 4.340 -0.001 0.000 0.212 408 L C 1.256 178.188 176.870 0.103 0.000 1.075 408 L CA 1.711 56.442 54.840 -0.181 0.000 0.752 408 L CB -0.455 41.398 42.059 -0.344 0.000 0.891 408 L HN 1.032 nan 8.230 nan 0.000 0.432 409 G N -2.597 106.278 108.800 0.126 0.000 2.339 409 G HA2 0.196 4.156 3.960 -0.001 0.000 0.275 409 G HA3 0.196 4.156 3.960 -0.001 0.000 0.275 409 G C -2.267 172.764 174.900 0.218 0.000 1.323 409 G CA -0.423 44.720 45.100 0.072 0.000 0.927 409 G HN 0.209 nan 8.290 nan 0.000 0.486 413 G N 1.097 110.081 108.800 0.306 0.000 2.985 413 G HA2 0.071 4.030 3.960 -0.001 0.000 0.209 413 G HA3 0.071 4.030 3.960 -0.001 0.000 0.209 413 G C -0.019 175.128 174.900 0.412 0.000 1.165 413 G CA 0.577 45.905 45.100 0.380 0.000 0.776 413 G HN 0.478 nan 8.290 nan 0.000 0.541 414 D N -0.841 119.725 120.400 0.277 0.000 2.977 414 D HA 0.518 5.157 4.640 -0.001 0.000 0.220 414 D C -1.373 175.010 176.300 0.138 0.000 1.267 414 D CA -0.521 53.569 54.000 0.150 0.000 0.884 414 D CB 1.968 42.860 40.800 0.152 0.000 1.667 414 D HN -0.028 nan 8.370 nan 0.000 0.536 415 I N 1.842 122.450 120.570 0.063 0.000 2.686 415 I HA 0.485 4.654 4.170 -0.001 0.000 0.295 415 I C -1.476 174.695 176.117 0.089 0.000 1.114 415 I CA -0.475 60.905 61.300 0.133 0.000 1.038 415 I CB 1.631 39.705 38.000 0.124 0.000 1.238 415 I HN 0.213 nan 8.210 nan 0.000 0.420 416 E N 7.355 127.651 120.200 0.159 0.000 2.292 416 E HA 0.487 4.836 4.350 -0.001 0.000 0.272 416 E C -1.256 175.403 176.600 0.098 0.000 0.881 416 E CA -0.509 55.992 56.400 0.168 0.000 0.754 416 E CB 2.984 32.923 29.700 0.399 0.000 1.201 416 E HN 0.498 nan 8.360 nan 0.000 0.425 417 I N 1.650 122.180 120.570 -0.067 0.000 2.359 417 I HA 0.090 4.260 4.170 -0.001 0.000 0.294 417 I C 0.383 176.190 176.117 -0.517 0.000 0.987 417 I CA -0.798 60.394 61.300 -0.180 0.000 1.225 417 I CB 1.122 39.038 38.000 -0.140 0.000 1.366 417 I HN 0.283 nan 8.210 nan 0.000 0.466 418 D N 9.448 129.476 120.400 -0.620 0.000 2.451 418 D HA 0.003 4.642 4.640 -0.001 0.000 0.254 418 D C -1.444 174.533 176.300 -0.537 0.000 1.204 418 D CA -1.591 51.853 54.000 -0.927 0.000 0.896 418 D CB 1.196 41.789 40.800 -0.345 0.000 1.136 418 D HN 0.259 nan 8.370 nan 0.000 0.499 419 P HA -0.092 nan 4.420 nan 0.000 0.228 419 P C 0.575 177.468 177.300 -0.678 0.000 1.151 419 P CA 0.774 63.556 63.100 -0.530 0.000 0.770 419 P CB -0.033 31.344 31.700 -0.539 0.000 0.786 420 F N -1.184 118.693 119.950 -0.122 0.000 2.661 420 F HA 0.334 4.861 4.527 -0.001 0.000 0.306 420 F C 0.708 176.479 175.800 -0.048 0.000 1.094 420 F CA -0.227 57.741 58.000 -0.052 0.000 1.254 420 F CB 0.180 39.178 39.000 -0.005 0.000 1.040 420 F HN -0.134 nan 8.300 nan 0.000 0.562 421 N N -0.606 118.105 118.700 0.018 0.000 2.812 421 N HA 0.066 4.805 4.740 -0.001 0.000 0.262 421 N C 0.093 175.577 175.510 -0.042 0.000 1.241 421 N CA 0.086 53.144 53.050 0.013 0.000 0.854 421 N CB 1.147 39.667 38.487 0.055 0.000 1.506 421 N HN -0.219 nan 8.380 nan 0.000 0.576 422 S N 1.071 116.746 115.700 -0.041 0.000 2.469 422 S HA -0.062 4.407 4.470 -0.001 0.000 0.238 422 S C 0.879 175.469 174.600 -0.015 0.000 0.998 422 S CA 0.677 58.847 58.200 -0.050 0.000 0.957 422 S CB 0.162 63.332 63.200 -0.050 0.000 0.764 422 S HN 0.550 nan 8.310 nan 0.000 0.514 423 D N 0.357 120.762 120.400 0.009 0.000 2.347 423 D HA 0.074 4.713 4.640 -0.001 0.000 0.213 423 D C 1.110 177.439 176.300 0.048 0.000 0.985 423 D CA 0.355 54.377 54.000 0.037 0.000 0.879 423 D CB 0.248 41.074 40.800 0.043 0.000 0.919 423 D HN 0.281 nan 8.370 nan 0.000 0.526 428 V N 0.291 120.356 119.914 0.252 0.000 2.716 428 V HA 0.996 5.116 4.120 -0.001 0.000 0.304 428 V C -0.094 176.138 176.094 0.230 0.000 1.053 428 V CA 0.281 62.667 62.300 0.144 0.000 0.984 428 V CB 1.132 33.032 31.823 0.128 0.000 1.021 428 V HN 1.534 nan 8.190 nan 0.000 0.467 429 T N -0.292 114.312 114.554 0.082 0.000 2.838 429 T HA 0.612 4.962 4.350 -0.001 0.000 0.292 429 T C 0.954 175.630 174.700 -0.039 0.000 1.113 429 T CA -0.071 61.975 62.100 -0.089 0.000 1.008 429 T CB 1.252 69.892 68.868 -0.381 0.000 1.259 429 T HN 1.294 nan 8.240 nan 0.000 0.520 430 G N -0.667 107.914 108.800 -0.366 0.000 2.625 430 G HA2 0.320 4.280 3.960 -0.001 0.000 0.214 430 G HA3 0.320 4.280 3.960 -0.001 0.000 0.214 430 G C 1.017 176.034 174.900 0.196 0.000 1.132 430 G CA 0.630 45.707 45.100 -0.038 0.000 0.782 430 G HN 1.213 nan 8.290 nan 0.000 0.538 431 A N -1.881 120.943 122.820 0.007 0.000 2.242 431 A HA 0.582 4.902 4.320 -0.001 0.000 0.205 431 A C 0.805 178.493 177.584 0.174 0.000 1.353 431 A CA 1.260 53.458 52.037 0.267 0.000 1.005 431 A CB 0.811 20.155 19.000 0.575 0.000 1.127 431 A HN 0.314 nan 8.150 nan 0.000 0.498 432 T N -1.240 113.257 114.554 -0.094 0.000 2.665 432 T HA 0.563 4.913 4.350 -0.001 0.000 0.303 432 T C -1.983 172.521 174.700 -0.326 0.000 1.334 432 T CA -0.352 61.608 62.100 -0.232 0.000 1.011 432 T CB 0.846 69.426 68.868 -0.480 0.000 1.573 432 T HN 0.160 nan 8.240 nan 0.000 0.492 433 I N 2.378 122.732 120.570 -0.359 0.000 2.406 433 I HA 0.476 4.646 4.170 -0.001 0.000 0.290 433 I C -1.115 174.752 176.117 -0.417 0.000 0.999 433 I CA -0.728 60.378 61.300 -0.323 0.000 1.124 433 I CB 1.339 39.230 38.000 -0.181 0.000 1.289 433 I HN 0.547 nan 8.210 nan 0.000 0.441 434 Y N 3.496 123.512 120.300 -0.474 0.000 2.534 434 Y HA 0.858 5.408 4.550 -0.001 0.000 0.329 434 Y C 0.705 176.314 175.900 -0.484 0.000 1.154 434 Y CA -0.855 56.919 58.100 -0.542 0.000 1.192 434 Y CB 2.144 40.089 38.460 -0.858 0.000 1.275 434 Y HN 0.601 nan 8.280 nan 0.000 0.491 435 G N -0.811 107.958 108.800 -0.051 0.000 2.506 435 G HA2 0.520 4.480 3.960 -0.001 0.000 0.292 435 G HA3 0.520 4.480 3.960 -0.001 0.000 0.292 435 G C -1.686 173.246 174.900 0.053 0.000 1.425 435 G CA -0.416 44.685 45.100 0.001 0.000 0.788 435 G HN 1.073 nan 8.290 nan 0.000 0.490 436 C N -1.703 117.644 119.300 0.077 0.000 3.236 436 C HA 0.883 5.343 4.460 -0.001 0.000 0.312 436 C C -0.436 174.602 174.990 0.080 0.000 1.374 436 C CA -0.704 58.361 59.018 0.079 0.000 1.455 436 C CB 1.890 29.684 27.740 0.089 0.000 1.834 436 C HN 0.696 nan 8.230 nan 0.000 0.460 437 D N 0.606 121.051 120.400 0.076 0.000 2.527 437 D HA 0.101 4.740 4.640 -0.001 0.000 0.224 437 D C 0.153 176.493 176.300 0.067 0.000 1.217 437 D CA 0.378 54.422 54.000 0.073 0.000 0.819 437 D CB 0.223 41.067 40.800 0.074 0.000 1.061 437 D HN 0.802 nan 8.370 nan 0.000 0.515 438 N N 1.302 120.045 118.700 0.072 0.000 2.517 438 N HA -0.009 4.731 4.740 -0.001 0.000 0.285 438 N C 1.181 176.749 175.510 0.097 0.000 1.528 438 N CA -0.338 52.755 53.050 0.072 0.000 0.892 438 N CB 0.233 38.757 38.487 0.063 0.000 1.356 438 N HN -0.039 nan 8.380 nan 0.000 0.495 439 L N 1.818 123.104 121.223 0.107 0.000 2.043 439 L HA -0.120 4.219 4.340 -0.001 0.000 0.212 439 L C 2.211 179.186 176.870 0.175 0.000 1.075 439 L CA 2.546 57.480 54.840 0.157 0.000 0.752 439 L CB -1.156 40.982 42.059 0.132 0.000 0.891 439 L HN 0.485 nan 8.230 nan 0.000 0.432 440 T N -4.807 109.808 114.554 0.101 0.000 3.051 440 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 440 T C 1.491 176.250 174.700 0.099 0.000 1.127 440 T CA 0.873 63.017 62.100 0.073 0.000 1.107 440 T CB -0.670 68.212 68.868 0.023 0.000 0.898 440 T HN 0.303 nan 8.240 nan 0.000 0.517 441 D N 0.411 120.884 120.400 0.121 0.000 2.182 441 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 441 D C 1.333 177.743 176.300 0.184 0.000 0.986 441 D CA 0.688 54.760 54.000 0.119 0.000 0.847 441 D CB -0.453 40.406 40.800 0.097 0.000 0.942 441 D HN 0.510 nan 8.370 nan 0.000 0.467 442 W N 2.194 123.494 121.300 -0.001 0.000 2.363 442 W HA -0.133 4.526 4.660 -0.000 0.000 0.296 442 W C 1.153 177.641 176.519 -0.051 0.000 1.212 442 W CA 1.065 58.398 57.345 -0.021 0.000 1.260 442 W CB -0.449 29.005 29.460 -0.011 0.000 1.131 442 W HN -0.051 nan 8.180 nan 0.000 0.530 443 D N -0.456 120.010 120.400 0.111 0.000 2.264 443 D HA -0.114 4.526 4.640 -0.001 0.000 0.208 443 D C 1.698 178.003 176.300 0.008 0.000 0.966 443 D CA 1.123 55.100 54.000 -0.038 0.000 0.864 443 D CB -0.322 40.431 40.800 -0.079 0.000 0.933 443 D HN 0.268 nan 8.370 nan 0.000 0.499 444 R N -0.453 120.079 120.500 0.052 0.000 2.427 444 R HA 0.278 4.618 4.340 -0.001 0.000 0.262 444 R C 0.871 177.207 176.300 0.060 0.000 0.943 444 R CA 0.262 56.387 56.100 0.042 0.000 1.081 444 R CB 0.674 30.996 30.300 0.037 0.000 1.166 444 R HN 0.062 nan 8.270 nan 0.000 0.534 445 G N 0.425 109.279 108.800 0.090 0.000 2.147 445 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.244 445 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.244 445 G C 0.272 175.227 174.900 0.093 0.000 1.005 445 G CA -0.020 45.135 45.100 0.091 0.000 0.713 445 G HN 0.530 nan 8.290 nan 0.000 0.515 446 G N -0.989 107.871 108.800 0.099 0.000 2.613 446 G HA2 0.646 4.606 3.960 -0.001 0.000 0.303 446 G HA3 0.646 4.606 3.960 -0.001 0.000 0.303 446 G C -0.238 174.700 174.900 0.063 0.000 1.312 446 G CA -0.818 44.325 45.100 0.073 0.000 1.036 446 G HN 0.330 nan 8.290 nan 0.000 0.513 447 K N -0.230 120.187 120.400 0.028 0.000 2.183 447 K HA 0.412 4.732 4.320 -0.001 0.000 0.274 447 K C -0.508 176.092 176.600 -0.000 0.000 1.009 447 K CA -0.515 55.765 56.287 -0.012 0.000 0.888 447 K CB 2.164 34.639 32.500 -0.041 0.000 1.078 447 K HN 0.151 nan 8.250 nan 0.000 0.459 448 V N 4.228 124.120 119.914 -0.036 0.000 2.485 448 V HA -0.011 4.108 4.120 -0.001 0.000 0.287 448 V C 0.335 176.445 176.094 0.027 0.000 1.022 448 V CA 0.182 62.487 62.300 0.009 0.000 1.067 448 V CB 0.037 31.834 31.823 -0.044 0.000 0.967 448 V HN 0.601 nan 8.190 nan 0.000 0.479 449 K N 6.254 126.676 120.400 0.037 0.000 2.206 449 K HA 0.431 4.751 4.320 -0.001 0.000 0.268 449 K C -0.383 176.238 176.600 0.034 0.000 1.111 449 K CA -0.111 56.194 56.287 0.030 0.000 0.955 449 K CB 0.482 32.998 32.500 0.026 0.000 1.406 449 K HN 0.571 nan 8.250 nan 0.000 0.427 450 I N 3.073 123.657 120.570 0.023 0.000 2.519 450 I HA 0.035 4.205 4.170 -0.001 0.000 0.287 450 I C 0.622 176.733 176.117 -0.009 0.000 1.047 450 I CA 0.035 61.329 61.300 -0.011 0.000 1.381 450 I CB 0.732 38.670 38.000 -0.104 0.000 1.417 450 I HN 0.595 nan 8.210 nan 0.000 0.540 451 E N 4.097 124.322 120.200 0.042 0.000 2.429 451 E HA 0.480 4.830 4.350 -0.001 0.000 0.276 451 E C -1.431 175.295 176.600 0.211 0.000 0.953 451 E CA -1.045 55.412 56.400 0.096 0.000 0.787 451 E CB 1.680 31.426 29.700 0.076 0.000 1.307 451 E HN 0.176 nan 8.360 nan 0.000 0.458 452 V N 2.188 122.220 119.914 0.196 0.000 2.540 452 V HA 0.024 4.144 4.120 -0.001 0.000 0.297 452 V C 0.341 176.492 176.094 0.095 0.000 1.024 452 V CA 0.283 62.637 62.300 0.090 0.000 1.105 452 V CB 0.248 32.058 31.823 -0.022 0.000 0.938 452 V HN 0.630 nan 8.190 nan 0.000 0.482 453 K N 4.048 124.500 120.400 0.087 0.000 2.934 453 K HA 0.454 4.774 4.320 -0.001 0.000 0.210 453 K C 0.483 177.324 176.600 0.402 0.000 1.122 453 K CA 0.165 56.592 56.287 0.232 0.000 1.033 453 K CB 1.442 34.032 32.500 0.150 0.000 0.779 453 K HN 0.728 nan 8.250 nan 0.000 0.459 454 A N 0.355 123.324 122.820 0.248 0.000 2.603 454 A HA 0.147 4.467 4.320 -0.001 0.000 0.277 454 A C 0.375 178.091 177.584 0.219 0.000 1.158 454 A CA -0.162 51.993 52.037 0.197 0.000 0.962 454 A CB 0.205 19.170 19.000 -0.059 0.000 1.189 454 A HN 0.055 nan 8.150 nan 0.000 0.552 455 T N 0.462 115.165 114.554 0.248 0.000 2.902 455 T HA 0.409 4.759 4.350 -0.001 0.000 0.301 455 T C 1.499 176.328 174.700 0.214 0.000 1.012 455 T CA 1.496 63.695 62.100 0.165 0.000 1.151 455 T CB 0.763 69.688 68.868 0.095 0.000 0.946 455 T HN 1.424 nan 8.240 nan 0.000 0.542 456 G N 3.140 112.040 108.800 0.167 0.000 2.279 456 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.223 456 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.223 456 G C 0.207 175.228 174.900 0.201 0.000 1.015 456 G CA -0.444 44.785 45.100 0.215 0.000 0.621 456 G HN 0.721 nan 8.290 nan 0.000 0.506 457 I N 1.940 122.503 120.570 -0.012 0.000 2.416 457 I HA 0.385 4.555 4.170 -0.001 0.000 0.288 457 I C -0.285 175.846 176.117 0.023 0.000 1.051 457 I CA -0.004 61.117 61.300 -0.297 0.000 1.375 457 I CB 1.023 38.626 38.000 -0.662 0.000 1.407 457 I HN -0.016 nan 8.210 nan 0.000 0.516 458 E N 6.803 127.108 120.200 0.175 0.000 2.325 458 E HA 0.179 4.529 4.350 -0.001 0.000 0.248 458 E C -0.311 176.397 176.600 0.180 0.000 0.912 458 E CA -0.094 56.400 56.400 0.157 0.000 0.782 458 E CB 1.769 31.565 29.700 0.159 0.000 1.264 458 E HN 0.589 nan 8.360 nan 0.000 0.417 459 E N 1.310 121.587 120.200 0.128 0.000 2.603 459 E HA 0.125 4.475 4.350 -0.001 0.000 0.211 459 E C -0.323 176.341 176.600 0.107 0.000 0.995 459 E CA -0.165 56.318 56.400 0.139 0.000 0.990 459 E CB 0.544 30.322 29.700 0.129 0.000 1.036 459 E HN 0.381 nan 8.360 nan 0.000 0.475 460 C N 1.444 120.788 119.300 0.073 0.000 2.676 460 C HA 0.404 4.863 4.460 -0.001 0.000 0.416 460 C C 0.826 175.842 174.990 0.044 0.000 1.299 460 C CA -0.369 58.678 59.018 0.049 0.000 2.048 460 C CB 0.254 28.006 27.740 0.020 0.000 2.713 460 C HN 0.436 nan 8.230 nan 0.000 0.624 461 A N 3.485 126.329 122.820 0.041 0.000 2.269 461 A HA 0.552 4.871 4.320 -0.001 0.000 0.302 461 A C -0.325 177.255 177.584 -0.006 0.000 1.266 461 A CA -0.194 51.855 52.037 0.020 0.000 0.894 461 A CB 0.132 19.155 19.000 0.038 0.000 1.147 461 A HN 0.749 nan 8.150 nan 0.000 0.537 462 V N 4.919 124.818 119.914 -0.024 0.000 2.407 462 V HA 0.203 4.323 4.120 -0.001 0.000 0.278 462 V C 0.935 177.004 176.094 -0.041 0.000 1.037 462 V CA -0.124 62.159 62.300 -0.028 0.000 0.900 462 V CB 1.055 32.860 31.823 -0.030 0.000 0.983 462 V HN 0.916 nan 8.190 nan 0.000 0.459 463 L N 1.819 123.020 121.223 -0.038 0.000 2.470 463 L HA 0.460 4.800 4.340 -0.001 0.000 0.219 463 L C 0.281 177.131 176.870 -0.033 0.000 1.071 463 L CA 0.578 55.392 54.840 -0.043 0.000 0.850 463 L CB 0.337 42.366 42.059 -0.050 0.000 1.040 463 L HN 0.612 nan 8.230 nan 0.000 0.475 464 D N -0.692 119.695 120.400 -0.022 0.000 2.663 464 D HA 0.585 5.224 4.640 -0.001 0.000 0.233 464 D C -1.562 174.743 176.300 0.008 0.000 1.240 464 D CA -0.229 53.768 54.000 -0.005 0.000 0.774 464 D CB 2.301 43.098 40.800 -0.005 0.000 1.443 464 D HN -0.194 nan 8.370 nan 0.000 0.441 465 L N 1.194 122.429 121.223 0.019 0.000 2.482 465 L HA 0.660 5.000 4.340 -0.001 0.000 0.263 465 L C -0.730 176.166 176.870 0.043 0.000 0.957 465 L CA -1.116 53.731 54.840 0.012 0.000 0.836 465 L CB 2.137 44.183 42.059 -0.021 0.000 1.324 465 L HN 0.309 nan 8.230 nan 0.000 0.406 466 V N -0.814 119.126 119.914 0.043 0.000 2.789 466 V HA 0.721 4.841 4.120 -0.001 0.000 0.311 466 V C -0.473 175.600 176.094 -0.036 0.000 1.073 466 V CA -0.544 61.818 62.300 0.104 0.000 0.921 466 V CB 1.922 33.915 31.823 0.284 0.000 1.009 466 V HN 0.725 nan 8.190 nan 0.000 0.426 467 S N 5.050 120.741 115.700 -0.015 0.000 2.577 467 S HA 0.655 5.125 4.470 -0.001 0.000 0.294 467 S C -2.503 171.996 174.600 -0.167 0.000 1.161 467 S CA -1.279 56.855 58.200 -0.109 0.000 1.143 467 S CB 0.707 63.923 63.200 0.027 0.000 0.991 467 S HN 0.815 nan 8.310 nan 0.000 0.475 468 P HA 0.251 nan 4.420 nan 0.000 0.275 468 P C -2.061 175.060 177.300 -0.297 0.000 1.228 468 P CA -1.515 61.172 63.100 -0.688 0.000 0.786 468 P CB 0.291 31.613 31.700 -0.630 0.000 0.927 469 P HA -0.017 nan 4.420 nan 0.000 0.233 469 P C -0.143 177.127 177.300 -0.049 0.000 1.167 469 P CA 1.212 64.279 63.100 -0.055 0.000 0.770 469 P CB 0.660 32.371 31.700 0.019 0.000 0.837 470 E N -0.958 119.191 120.200 -0.086 0.000 2.340 470 E HA 0.514 4.864 4.350 -0.001 0.000 0.273 470 E C 0.131 176.685 176.600 -0.077 0.000 0.891 470 E CA -0.685 55.682 56.400 -0.054 0.000 0.757 470 E CB 2.232 31.917 29.700 -0.024 0.000 1.231 470 E HN 0.036 nan 8.360 nan 0.000 0.439 471 G N 1.251 110.021 108.800 -0.050 0.000 2.466 471 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.218 471 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.218 471 G C -0.356 174.516 174.900 -0.046 0.000 1.237 471 G CA -0.503 44.568 45.100 -0.049 0.000 0.954 471 G HN 0.805 nan 8.290 nan 0.000 0.580 472 A N 1.351 124.143 122.820 -0.046 0.000 2.483 472 A HA 0.616 4.936 4.320 -0.001 0.000 0.238 472 A C -0.040 177.509 177.584 -0.058 0.000 1.070 472 A CA 0.428 52.445 52.037 -0.034 0.000 0.770 472 A CB 0.193 19.187 19.000 -0.011 0.000 1.008 472 A HN 0.696 nan 8.150 nan 0.000 0.497 473 P HA 0.016 nan 4.420 nan 0.000 0.223 473 P C -0.076 177.094 177.300 -0.216 0.000 1.151 473 P CA 0.942 64.000 63.100 -0.069 0.000 0.787 473 P CB 0.048 31.740 31.700 -0.014 0.000 0.788 474 L N -0.977 120.125 121.223 -0.202 0.000 2.505 474 L HA 0.432 4.771 4.340 -0.001 0.000 0.259 474 L C -1.490 175.395 176.870 0.024 0.000 0.952 474 L CA -0.968 53.701 54.840 -0.285 0.000 0.840 474 L CB 2.665 44.363 42.059 -0.601 0.000 1.358 474 L HN -0.409 nan 8.230 nan 0.000 0.409 475 V N 2.575 122.513 119.914 0.041 0.000 2.638 475 V HA 0.801 4.921 4.120 -0.001 0.000 0.306 475 V C -0.345 175.864 176.094 0.192 0.000 1.052 475 V CA -0.352 62.061 62.300 0.189 0.000 0.885 475 V CB 1.845 33.765 31.823 0.161 0.000 0.999 475 V HN 0.869 nan 8.190 nan 0.000 0.424 476 S N 2.917 118.787 115.700 0.283 0.000 2.607 476 S HA 0.957 5.427 4.470 -0.001 0.000 0.303 476 S C -0.415 174.272 174.600 0.145 0.000 1.086 476 S CA -0.445 57.876 58.200 0.200 0.000 0.995 476 S CB 2.267 65.649 63.200 0.302 0.000 1.084 476 S HN 1.492 nan 8.310 nan 0.000 0.507 477 A N 1.188 124.036 122.820 0.047 0.000 2.357 477 A HA 0.752 5.071 4.320 -0.001 0.000 0.295 477 A C -0.308 177.244 177.584 -0.054 0.000 1.121 477 A CA -0.659 51.360 52.037 -0.030 0.000 0.742 477 A CB 0.755 19.723 19.000 -0.052 0.000 1.181 477 A HN 1.895 nan 8.150 nan 0.000 0.454 478 V N 0.102 119.955 119.914 -0.101 0.000 3.102 478 V HA 0.977 5.097 4.120 -0.001 0.000 0.312 478 V C 0.443 176.487 176.094 -0.084 0.000 1.135 478 V CA -0.330 61.925 62.300 -0.075 0.000 1.022 478 V CB 1.304 33.100 31.823 -0.044 0.000 1.056 478 V HN 1.457 nan 8.190 nan 0.000 0.436 479 G N 0.979 109.754 108.800 -0.042 0.000 2.432 479 G HA2 0.452 4.412 3.960 -0.001 0.000 0.239 479 G HA3 0.452 4.412 3.960 -0.001 0.000 0.239 479 G C 0.159 175.055 174.900 -0.005 0.000 1.291 479 G CA 0.933 46.023 45.100 -0.016 0.000 0.863 479 G HN 1.345 nan 8.290 nan 0.000 0.560 480 D N -0.073 120.344 120.400 0.028 0.000 2.593 480 D HA -0.175 4.465 4.640 -0.001 0.000 0.176 480 D C 1.405 177.768 176.300 0.106 0.000 1.580 480 D CA 1.645 55.713 54.000 0.113 0.000 1.831 480 D CB -0.711 40.187 40.800 0.164 0.000 1.384 480 D HN 0.334 nan 8.370 nan 0.000 0.479 481 L N 0.089 121.258 121.223 -0.091 0.000 2.906 481 L HA 0.298 4.638 4.340 -0.001 0.000 0.255 481 L C 1.567 178.130 176.870 -0.513 0.000 1.166 481 L CA 0.407 55.047 54.840 -0.332 0.000 0.977 481 L CB 0.946 42.719 42.059 -0.476 0.000 1.313 481 L HN 0.149 nan 8.230 nan 0.000 0.549 482 V N -0.969 118.759 119.914 -0.310 0.000 0.524 482 V HA -0.259 3.861 4.120 -0.001 0.000 0.092 482 V C 0.964 176.799 176.094 -0.432 0.000 2.204 482 V CA 1.520 63.634 62.300 -0.310 0.000 3.556 482 V CB -2.029 29.626 31.823 -0.280 0.000 0.846 482 V HN 0.819 nan 8.190 nan 0.000 0.884 483 G N -1.277 106.989 108.800 -0.890 0.000 2.351 483 G HA2 0.486 4.446 3.960 -0.001 0.000 0.353 483 G HA3 0.486 4.446 3.960 -0.001 0.000 0.353 483 G C -1.360 172.507 174.900 -1.722 0.000 1.358 483 G CA -0.312 44.241 45.100 -0.913 0.000 0.995 483 G HN 1.161 nan 8.290 nan 0.000 0.611 484 F N -1.278 118.207 119.950 -0.775 0.000 2.626 484 F HA 0.648 5.175 4.527 -0.001 0.000 0.311 484 F C 0.321 175.866 175.800 -0.426 0.000 1.088 484 F CA -1.149 56.380 58.000 -0.785 0.000 0.949 484 F CB 2.237 40.789 39.000 -0.747 0.000 1.322 484 F HN 0.366 nan 8.300 nan 0.000 0.461 485 V N 1.083 120.985 119.914 -0.020 0.000 2.432 485 V HA 0.177 4.296 4.120 -0.001 0.000 0.271 485 V C -0.728 175.258 176.094 -0.180 0.000 1.046 485 V CA -0.524 61.793 62.300 0.028 0.000 0.945 485 V CB 0.362 32.251 31.823 0.110 0.000 0.992 485 V HN 0.617 nan 8.190 nan 0.000 0.471 486 H N 3.246 122.331 119.070 0.025 0.000 2.741 486 H HA 0.252 4.807 4.556 -0.001 0.000 0.261 486 H C 0.737 176.036 175.328 -0.048 0.000 1.365 486 H CA -0.477 55.548 56.048 -0.037 0.000 1.266 486 H CB 0.262 29.967 29.762 -0.094 0.000 1.485 486 H HN 0.584 nan 8.280 nan 0.000 0.529 487 D N 0.847 121.268 120.400 0.035 0.000 2.178 487 D HA -0.135 4.505 4.640 -0.001 0.000 0.201 487 D C 0.307 176.614 176.300 0.012 0.000 0.980 487 D CA 1.557 55.567 54.000 0.016 0.000 0.842 487 D CB 0.467 41.273 40.800 0.009 0.000 0.948 487 D HN 0.520 nan 8.370 nan 0.000 0.472 488 D N -0.618 119.792 120.400 0.017 0.000 2.936 488 D HA 0.113 4.753 4.640 -0.001 0.000 0.238 488 D C 1.129 177.423 176.300 -0.010 0.000 1.248 488 D CA -0.424 53.576 54.000 -0.001 0.000 0.903 488 D CB 1.720 42.522 40.800 0.002 0.000 1.544 488 D HN -0.152 nan 8.370 nan 0.000 0.543 489 L N 2.122 123.303 121.223 -0.069 0.000 2.265 489 L HA -0.062 4.278 4.340 -0.001 0.000 0.215 489 L C 1.620 178.443 176.870 -0.077 0.000 1.117 489 L CA 0.849 55.593 54.840 -0.160 0.000 0.782 489 L CB -0.080 41.734 42.059 -0.408 0.000 0.914 489 L HN 0.094 nan 8.230 nan 0.000 0.441 490 K N 0.052 120.444 120.400 -0.014 0.000 2.514 490 K HA 0.321 4.640 4.320 -0.001 0.000 0.207 490 K C -0.691 175.925 176.600 0.027 0.000 1.035 490 K CA 0.028 56.335 56.287 0.032 0.000 1.113 490 K CB 0.920 33.453 32.500 0.055 0.000 0.846 490 K HN -0.069 nan 8.250 nan 0.000 0.491 491 V N 0.297 120.222 119.914 0.018 0.000 2.483 491 V HA 0.424 4.544 4.120 -0.001 0.000 0.297 491 V C 0.437 176.536 176.094 0.009 0.000 1.027 491 V CA -1.419 60.889 62.300 0.014 0.000 0.855 491 V CB 1.693 33.522 31.823 0.009 0.000 0.995 491 V HN 0.298 nan 8.190 nan 0.000 0.424 492 G N 5.742 114.543 108.800 0.001 0.000 2.365 492 G HA2 0.421 4.380 3.960 -0.001 0.000 0.249 492 G HA3 0.421 4.380 3.960 -0.001 0.000 0.249 492 G C -2.449 172.419 174.900 -0.053 0.000 1.288 492 G CA -0.619 44.464 45.100 -0.028 0.000 0.887 492 G HN 0.521 nan 8.290 nan 0.000 0.524 493 P HA 0.122 nan 4.420 nan 0.000 0.269 493 P C 0.726 178.036 177.300 0.017 0.000 1.215 493 P CA -0.430 62.607 63.100 -0.105 0.000 0.780 493 P CB 0.884 32.435 31.700 -0.249 0.000 0.898 494 K N 1.018 121.458 120.400 0.067 0.000 2.243 494 K HA 0.059 4.379 4.320 -0.001 0.000 0.201 494 K C 0.786 177.485 176.600 0.166 0.000 1.051 494 K CA 1.101 57.443 56.287 0.091 0.000 0.970 494 K CB 0.166 32.703 32.500 0.062 0.000 0.755 494 K HN 0.451 nan 8.250 nan 0.000 0.465 498 V N 3.033 122.750 119.914 -0.329 0.000 2.501 498 V HA 0.166 4.286 4.120 -0.001 0.000 0.277 498 V C -2.160 173.768 176.094 -0.277 0.000 1.004 498 V CA -0.956 61.087 62.300 -0.428 0.000 0.862 498 V CB 1.724 32.943 31.823 -1.007 0.000 1.035 498 V HN 0.125 nan 8.190 nan 0.000 0.448 499 P HA -0.143 nan 4.420 nan 0.000 0.220 499 P C 1.586 178.982 177.300 0.160 0.000 1.144 499 P CA 1.643 64.810 63.100 0.111 0.000 0.800 499 P CB 0.253 32.052 31.700 0.166 0.000 0.772 500 S N -3.682 112.010 115.700 -0.014 0.000 2.558 500 S HA -0.006 4.464 4.470 -0.001 0.000 0.217 500 S C 0.712 175.374 174.600 0.104 0.000 0.975 500 S CA -0.113 58.095 58.200 0.013 0.000 0.912 500 S CB -0.849 62.329 63.200 -0.036 0.000 0.776 500 S HN -0.061 nan 8.310 nan 0.000 0.526 501 Y N 2.750 123.036 120.300 -0.023 0.000 2.298 501 Y HA 0.479 5.029 4.550 -0.000 0.000 0.329 501 Y C 1.992 177.885 175.900 -0.011 0.000 1.293 501 Y CA -1.327 56.737 58.100 -0.061 0.000 1.388 501 Y CB 1.060 39.433 38.460 -0.145 0.000 1.309 501 Y HN 0.310 nan 8.280 nan 0.000 0.544 502 S N -0.894 114.883 115.700 0.129 0.000 2.517 502 S HA 0.230 4.700 4.470 -0.001 0.000 0.228 502 S C 0.196 174.816 174.600 0.033 0.000 1.060 502 S CA 0.090 58.340 58.200 0.084 0.000 0.937 502 S CB -0.016 63.203 63.200 0.032 0.000 0.840 502 S HN 0.342 nan 8.310 nan 0.000 0.546 503 S N 0.838 116.515 115.700 -0.038 0.000 2.532 503 S HA 0.723 5.192 4.470 -0.001 0.000 0.299 503 S C -0.210 174.303 174.600 -0.146 0.000 1.105 503 S CA -0.673 57.480 58.200 -0.077 0.000 1.018 503 S CB 1.601 64.762 63.200 -0.064 0.000 1.021 503 S HN 0.690 nan 8.310 nan 0.000 0.483 504 G N 0.991 109.701 108.800 -0.150 0.000 2.339 504 G HA2 0.424 4.383 3.960 -0.001 0.000 0.287 504 G HA3 0.424 4.383 3.960 -0.001 0.000 0.287 504 G C 0.796 175.608 174.900 -0.147 0.000 1.163 504 G CA -0.377 44.613 45.100 -0.183 0.000 0.872 504 G HN 0.737 nan 8.290 nan 0.000 0.464 505 T N -0.406 114.051 114.554 -0.162 0.000 2.971 505 T HA 0.463 4.813 4.350 -0.001 0.000 0.252 505 T C 0.937 175.586 174.700 -0.086 0.000 1.022 505 T CA 0.441 62.477 62.100 -0.107 0.000 0.980 505 T CB 0.832 69.645 68.868 -0.091 0.000 1.044 505 T HN 0.991 nan 8.240 nan 0.000 0.501 506 G N 0.498 109.227 108.800 -0.119 0.000 2.742 506 G HA2 0.665 4.625 3.960 -0.001 0.000 0.296 506 G HA3 0.665 4.625 3.960 -0.001 0.000 0.296 506 G C -2.129 172.700 174.900 -0.118 0.000 1.436 506 G CA -0.770 44.279 45.100 -0.086 0.000 0.928 506 G HN 0.433 nan 8.290 nan 0.000 0.520 507 I N 0.754 121.292 120.570 -0.052 0.000 2.775 507 I HA 0.636 4.806 4.170 -0.001 0.000 0.295 507 I C -2.128 174.011 176.117 0.037 0.000 1.287 507 I CA -0.679 60.601 61.300 -0.033 0.000 1.029 507 I CB 2.566 40.559 38.000 -0.013 0.000 1.282 507 I HN 0.542 nan 8.210 nan 0.000 0.426 508 D N 4.109 124.540 120.400 0.051 0.000 2.583 508 D HA 0.462 5.102 4.640 -0.001 0.000 0.248 508 D C -1.843 174.524 176.300 0.111 0.000 1.209 508 D CA -0.014 54.028 54.000 0.069 0.000 0.848 508 D CB 1.981 42.800 40.800 0.032 0.000 1.431 508 D HN 0.347 nan 8.370 nan 0.000 0.436 509 Y N -0.528 119.802 120.300 0.051 0.000 2.536 509 Y HA 0.829 5.379 4.550 -0.001 0.000 0.347 509 Y C -0.558 175.410 175.900 0.113 0.000 1.000 509 Y CA -1.619 56.508 58.100 0.046 0.000 1.051 509 Y CB 1.015 39.490 38.460 0.026 0.000 1.259 509 Y HN 0.337 nan 8.280 nan 0.000 0.468 510 A N 2.236 125.208 122.820 0.254 0.000 2.451 510 A HA 0.212 4.532 4.320 -0.001 0.000 0.266 510 A C 1.099 178.813 177.584 0.216 0.000 1.119 510 A CA -0.087 52.058 52.037 0.180 0.000 0.786 510 A CB 0.057 19.209 19.000 0.254 0.000 1.061 510 A HN 0.962 nan 8.150 nan 0.000 0.503 511 E N 2.442 122.673 120.200 0.051 0.000 2.118 511 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 511 E C 1.236 177.954 176.600 0.196 0.000 0.992 511 E CA 1.772 58.276 56.400 0.174 0.000 0.804 511 E CB -0.171 29.557 29.700 0.048 0.000 0.741 511 E HN 0.776 nan 8.360 nan 0.000 0.458 512 L N -0.739 120.556 121.223 0.120 0.000 2.529 512 L HA 0.163 4.503 4.340 -0.001 0.000 0.223 512 L C 0.030 176.960 176.870 0.100 0.000 1.113 512 L CA -0.099 54.796 54.840 0.091 0.000 0.861 512 L CB 0.780 42.870 42.059 0.053 0.000 1.012 512 L HN -0.098 nan 8.230 nan 0.000 0.461 513 V N 0.421 120.416 119.914 0.136 0.000 2.405 513 V HA 0.190 4.310 4.120 -0.001 0.000 0.253 513 V C -1.679 174.540 176.094 0.208 0.000 0.963 513 V CA -0.666 61.723 62.300 0.147 0.000 1.003 513 V CB 0.756 32.655 31.823 0.126 0.000 1.251 513 V HN -0.008 nan 8.190 nan 0.000 0.520 514 P HA -0.089 nan 4.420 nan 0.000 0.230 514 P C 1.112 178.466 177.300 0.090 0.000 1.158 514 P CA 0.956 64.168 63.100 0.187 0.000 0.769 514 P CB 0.175 31.905 31.700 0.050 0.000 0.807 515 N N -0.721 118.033 118.700 0.092 0.000 2.459 515 N HA -0.108 4.632 4.740 -0.001 0.000 0.181 515 N C 0.676 176.209 175.510 0.038 0.000 1.046 515 N CA 0.169 53.249 53.050 0.050 0.000 0.904 515 N CB -0.695 37.842 38.487 0.082 0.000 0.964 515 N HN 0.154 nan 8.380 nan 0.000 0.444 519 L N 2.846 123.847 121.223 -0.369 0.000 2.381 519 L HA 0.848 5.188 4.340 -0.001 0.000 0.274 519 L C -0.469 176.033 176.870 -0.615 0.000 0.988 519 L CA -0.493 54.037 54.840 -0.517 0.000 0.824 519 L CB 2.025 43.532 42.059 -0.921 0.000 1.263 519 L HN 1.341 nan 8.230 nan 0.000 0.410 520 V N 2.425 122.000 119.914 -0.566 0.000 2.630 520 V HA 1.080 5.200 4.120 -0.001 0.000 0.305 520 V C -0.112 175.658 176.094 -0.540 0.000 1.046 520 V CA 0.089 61.970 62.300 -0.699 0.000 0.934 520 V CB 0.960 32.322 31.823 -0.768 0.000 1.003 520 V HN 1.211 nan 8.190 nan 0.000 0.451 521 A N 3.025 125.471 122.820 -0.623 0.000 2.599 521 A HA 0.780 5.100 4.320 -0.001 0.000 0.290 521 A C -0.838 176.469 177.584 -0.462 0.000 1.101 521 A CA -1.081 50.577 52.037 -0.631 0.000 0.674 521 A CB 1.675 19.976 19.000 -1.165 0.000 1.277 521 A HN 0.876 nan 8.150 nan 0.000 0.419 522 K N -0.178 120.029 120.400 -0.322 0.000 2.123 522 K HA 0.804 5.124 4.320 -0.001 0.000 0.248 522 K C -0.149 176.350 176.600 -0.167 0.000 0.969 522 K CA -0.196 55.974 56.287 -0.196 0.000 0.882 522 K CB 2.142 34.574 32.500 -0.113 0.000 1.080 522 K HN 1.024 nan 8.250 nan 0.000 0.441 529 K N 3.742 124.242 120.400 0.166 0.000 2.249 529 K HA 0.410 4.730 4.320 -0.001 0.000 0.280 529 K C 0.279 177.000 176.600 0.201 0.000 1.033 529 K CA -0.197 56.199 56.287 0.181 0.000 0.946 529 K CB 1.003 33.622 32.500 0.198 0.000 1.005 529 K HN 0.581 nan 8.250 nan 0.000 0.469 530 K N 1.403 121.879 120.400 0.128 0.000 2.410 530 K HA 0.220 4.540 4.320 -0.001 0.000 0.200 530 K C 0.388 176.654 176.600 -0.557 0.000 1.023 530 K CA -0.025 56.172 56.287 -0.151 0.000 1.149 530 K CB 0.184 32.668 32.500 -0.027 0.000 0.859 530 K HN 0.460 nan 8.250 nan 0.000 0.514 531 I N -0.012 120.226 120.570 -0.552 0.000 2.530 531 I HA 0.213 4.383 4.170 -0.001 0.000 0.297 531 I C -1.078 174.715 176.117 -0.541 0.000 1.011 531 I CA -0.449 60.336 61.300 -0.859 0.000 1.107 531 I CB 1.969 39.259 38.000 -1.184 0.000 1.285 531 I HN -0.148 nan 8.210 nan 0.000 0.436 532 S N 5.445 120.736 115.700 -0.683 0.000 2.548 532 S HA 0.676 5.146 4.470 -0.001 0.000 0.286 532 S C -1.139 173.020 174.600 -0.735 0.000 1.098 532 S CA -0.385 57.487 58.200 -0.547 0.000 0.930 532 S CB 1.488 64.512 63.200 -0.293 0.000 1.070 532 S HN 0.403 nan 8.310 nan 0.000 0.480 533 F N 0.903 120.623 119.950 -0.382 0.000 2.579 533 F HA 0.754 5.281 4.527 -0.000 0.000 0.324 533 F C 0.571 175.986 175.800 -0.641 0.000 1.058 533 F CA -0.703 56.929 58.000 -0.613 0.000 0.944 533 F CB 1.995 40.505 39.000 -0.818 0.000 1.245 533 F HN 0.483 nan 8.300 nan 0.000 0.477 534 S N 0.425 115.747 115.700 -0.631 0.000 2.541 534 S HA 0.467 4.937 4.470 -0.001 0.000 0.280 534 S C -0.961 173.404 174.600 -0.392 0.000 1.112 534 S CA -0.365 57.459 58.200 -0.626 0.000 0.925 534 S CB 0.744 63.048 63.200 -1.494 0.000 1.067 534 S HN 0.580 nan 8.310 nan 0.000 0.479 535 Y N 1.451 121.770 120.300 0.032 0.000 2.481 535 Y HA 0.249 4.799 4.550 -0.000 0.000 0.247 535 Y C 0.722 176.628 175.900 0.011 0.000 1.151 535 Y CA -0.248 57.932 58.100 0.134 0.000 1.238 535 Y CB 0.681 39.263 38.460 0.203 0.000 1.179 535 Y HN 0.704 nan 8.280 nan 0.000 0.524 536 D N -1.768 118.634 120.400 0.004 0.000 2.788 536 D HA 0.242 4.882 4.640 -0.001 0.000 0.289 536 D C 1.286 177.513 176.300 -0.122 0.000 1.340 536 D CA -0.000 53.982 54.000 -0.030 0.000 0.831 536 D CB 0.006 40.797 40.800 -0.015 0.000 1.103 536 D HN 0.164 nan 8.370 nan 0.000 0.476 537 G N -0.088 108.609 108.800 -0.173 0.000 2.198 537 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.260 537 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.260 537 G C 1.164 175.917 174.900 -0.244 0.000 1.025 537 G CA 0.433 45.423 45.100 -0.183 0.000 0.769 537 G HN 1.490 nan 8.290 nan 0.000 0.507 538 G N -1.608 106.884 108.800 -0.513 0.000 2.175 538 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.244 538 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.244 538 G C 1.304 176.054 174.900 -0.250 0.000 0.982 538 G CA 1.111 45.847 45.100 -0.606 0.000 0.641 538 G HN 0.749 nan 8.290 nan 0.000 0.527 539 R N 0.081 120.464 120.500 -0.195 0.000 2.081 539 R HA 0.014 4.353 4.340 -0.001 0.000 0.235 539 R C 0.525 176.801 176.300 -0.039 0.000 1.131 539 R CA 1.195 57.264 56.100 -0.051 0.000 0.960 539 R CB -0.246 30.031 30.300 -0.038 0.000 0.856 539 R HN 0.511 nan 8.270 nan 0.000 0.436 540 N N -0.823 117.773 118.700 -0.173 0.000 2.238 540 N HA 0.188 4.927 4.740 -0.001 0.000 0.302 540 N C -1.339 174.038 175.510 -0.220 0.000 1.072 540 N CA -0.355 52.660 53.050 -0.060 0.000 0.792 540 N CB 1.792 40.297 38.487 0.029 0.000 1.425 540 N HN -0.067 nan 8.380 nan 0.000 0.478 541 W N 1.553 122.894 121.300 0.068 0.000 2.864 541 W HA 0.575 5.234 4.660 -0.000 0.000 0.343 541 W C -0.389 176.217 176.519 0.146 0.000 1.109 541 W CA -0.763 56.591 57.345 0.015 0.000 1.192 541 W CB 1.160 30.544 29.460 -0.127 0.000 1.426 541 W HN 0.378 nan 8.180 nan 0.000 0.529 542 F N -0.049 120.083 119.950 0.304 0.000 2.599 542 F HA 0.764 5.291 4.527 -0.000 0.000 0.311 542 F C -0.901 175.046 175.800 0.244 0.000 1.076 542 F CA -1.557 56.584 58.000 0.234 0.000 0.937 542 F CB 1.303 40.440 39.000 0.228 0.000 1.282 542 F HN 0.221 nan 8.300 nan 0.000 0.460 543 Q N 3.267 123.254 119.800 0.312 0.000 2.274 543 Q HA 0.559 4.899 4.340 -0.001 0.000 0.260 543 Q C -2.492 173.754 176.000 0.410 0.000 0.974 543 Q CA -1.841 54.096 55.803 0.222 0.000 0.876 543 Q CB 1.507 30.337 28.738 0.153 0.000 1.297 543 Q HN 0.500 nan 8.270 nan 0.000 0.446 544 P HA 0.187 nan 4.420 nan 0.000 0.277 544 P C -2.100 175.407 177.300 0.345 0.000 1.271 544 P CA -1.304 62.081 63.100 0.475 0.000 0.795 544 P CB 0.502 32.565 31.700 0.605 0.000 1.101 545 P HA -0.035 nan 4.420 nan 0.000 0.219 545 P C 0.012 177.461 177.300 0.248 0.000 1.150 545 P CA 1.350 64.586 63.100 0.228 0.000 0.814 545 P CB 0.327 32.134 31.700 0.179 0.000 0.787 546 N N -0.054 118.854 118.700 0.345 0.000 2.265 546 N HA 0.276 5.016 4.740 -0.001 0.000 0.300 546 N C -0.465 175.358 175.510 0.521 0.000 1.148 546 N CA -0.507 52.769 53.050 0.377 0.000 0.772 546 N CB 2.210 40.927 38.487 0.383 0.000 1.434 546 N HN 0.018 nan 8.380 nan 0.000 0.481 547 E N 0.300 120.633 120.200 0.220 0.000 2.221 547 E HA 0.604 4.954 4.350 -0.001 0.000 0.268 547 E C -0.439 175.706 176.600 -0.758 0.000 0.933 547 E CA -1.015 55.338 56.400 -0.079 0.000 0.809 547 E CB 1.765 31.435 29.700 -0.050 0.000 1.190 547 E HN 0.618 nan 8.360 nan 0.000 0.406 548 A N 2.982 124.828 122.820 -1.624 0.000 2.520 548 A HA 0.161 4.481 4.320 -0.001 0.000 0.235 548 A C -2.173 174.907 177.584 -0.840 0.000 1.065 548 A CA -0.842 50.419 52.037 -1.294 0.000 0.764 548 A CB -0.573 17.571 19.000 -1.427 0.000 1.002 548 A HN 0.304 nan 8.150 nan 0.000 0.502 549 P HA 0.162 nan 4.420 nan 0.000 0.262 549 P C -0.612 176.404 177.300 -0.474 0.000 1.182 549 P CA 0.562 63.434 63.100 -0.380 0.000 0.761 549 P CB 0.210 31.761 31.700 -0.247 0.000 0.795 550 N N -0.735 117.729 118.700 -0.394 0.000 3.127 550 N HA 0.307 5.047 4.740 -0.001 0.000 0.239 550 N C -0.019 175.341 175.510 -0.250 0.000 1.407 550 N CA -0.695 52.121 53.050 -0.390 0.000 0.891 550 N CB 0.383 38.524 38.487 -0.577 0.000 1.447 550 N HN 0.086 nan 8.380 nan 0.000 0.507 551 S N -0.832 114.747 115.700 -0.202 0.000 2.566 551 S HA 0.095 4.565 4.470 -0.001 0.000 0.234 551 S C 1.062 175.591 174.600 -0.118 0.000 1.075 551 S CA 0.809 58.926 58.200 -0.139 0.000 0.926 551 S CB -0.314 62.816 63.200 -0.116 0.000 0.811 551 S HN 1.118 nan 8.310 nan 0.000 0.518 552 V N -1.607 118.234 119.914 -0.123 0.000 3.166 552 V HA 0.727 4.846 4.120 -0.001 0.000 0.332 552 V C 1.125 177.171 176.094 -0.079 0.000 1.434 552 V CA -0.360 61.885 62.300 -0.091 0.000 1.121 552 V CB -0.717 31.059 31.823 -0.080 0.000 1.062 552 V HN 0.753 nan 8.190 nan 0.000 0.489 553 G N 1.378 110.123 108.800 -0.093 0.000 2.583 553 G HA2 0.135 4.095 3.960 -0.001 0.000 0.292 553 G HA3 0.135 4.095 3.960 -0.001 0.000 0.292 553 G C 1.193 176.128 174.900 0.058 0.000 1.203 553 G CA 0.849 45.967 45.100 0.031 0.000 0.987 553 G HN 2.376 nan 8.290 nan 0.000 0.554 554 G N -1.242 107.614 108.800 0.094 0.000 2.564 554 G HA2 0.399 4.359 3.960 -0.001 0.000 0.273 554 G HA3 0.399 4.359 3.960 -0.001 0.000 0.273 554 G C 1.450 176.440 174.900 0.150 0.000 1.242 554 G CA 1.683 46.803 45.100 0.032 0.000 0.951 554 G HN 3.287 nan 8.290 nan 0.000 0.564 555 G N -1.887 106.944 108.800 0.052 0.000 2.539 555 G HA2 0.339 4.298 3.960 -0.001 0.000 0.256 555 G HA3 0.339 4.298 3.960 -0.001 0.000 0.256 555 G C 0.592 175.538 174.900 0.077 0.000 1.233 555 G CA 1.887 47.027 45.100 0.067 0.000 0.936 555 G HN 2.905 nan 8.290 nan 0.000 0.571 556 S N -2.168 113.606 115.700 0.122 0.000 2.745 556 S HA 0.859 5.328 4.470 -0.001 0.000 0.306 556 S C -0.771 173.911 174.600 0.135 0.000 1.137 556 S CA 0.090 58.343 58.200 0.088 0.000 0.900 556 S CB 2.184 65.430 63.200 0.076 0.000 1.176 556 S HN 2.278 nan 8.310 nan 0.000 0.520 557 V N -0.339 119.630 119.914 0.091 0.000 2.969 557 V HA 0.797 4.917 4.120 -0.001 0.000 0.304 557 V C -1.357 174.834 176.094 0.162 0.000 1.192 557 V CA -0.130 62.239 62.300 0.116 0.000 0.962 557 V CB 1.728 33.529 31.823 -0.036 0.000 1.045 557 V HN 1.597 nan 8.190 nan 0.000 0.428 558 A N 5.411 128.389 122.820 0.265 0.000 2.343 558 A HA 0.869 5.189 4.320 -0.001 0.000 0.308 558 A C -1.298 176.535 177.584 0.415 0.000 1.092 558 A CA -0.510 51.719 52.037 0.319 0.000 0.751 558 A CB 1.872 21.135 19.000 0.438 0.000 1.203 558 A HN 1.008 nan 8.150 nan 0.000 0.452 559 V N 2.281 122.346 119.914 0.252 0.000 2.459 559 V HA 0.609 4.728 4.120 -0.001 0.000 0.295 559 V C 0.920 177.094 176.094 0.132 0.000 1.029 559 V CA -0.365 62.102 62.300 0.279 0.000 0.874 559 V CB 1.351 33.316 31.823 0.237 0.000 0.985 559 V HN 1.252 nan 8.190 nan 0.000 0.438 560 A N 3.815 126.781 122.820 0.244 0.000 2.520 560 A HA 0.477 4.796 4.320 -0.001 0.000 0.235 560 A C 1.647 179.219 177.584 -0.019 0.000 1.065 560 A CA 0.529 52.583 52.037 0.027 0.000 0.764 560 A CB 0.215 19.346 19.000 0.218 0.000 1.002 560 A HN 1.446 nan 8.150 nan 0.000 0.502 561 A N 1.410 124.176 122.820 -0.090 0.000 2.024 561 A HA -0.142 4.178 4.320 -0.001 0.000 0.220 561 A C 1.330 178.919 177.584 0.008 0.000 1.164 561 A CA 2.046 54.058 52.037 -0.042 0.000 0.643 561 A CB -0.458 18.515 19.000 -0.046 0.000 0.806 561 A HN 0.927 nan 8.150 nan 0.000 0.451 562 D N -2.631 117.771 120.400 0.003 0.000 2.363 562 D HA 0.424 5.064 4.640 -0.001 0.000 0.214 562 D C 0.703 176.981 176.300 -0.037 0.000 1.093 562 D CA 0.600 54.599 54.000 -0.001 0.000 0.837 562 D CB -0.268 40.528 40.800 -0.006 0.000 0.948 562 D HN 0.960 nan 8.370 nan 0.000 0.507 563 A N 0.183 122.981 122.820 -0.036 0.000 2.979 563 A HA -0.319 4.001 4.320 -0.001 0.000 0.260 563 A C 1.423 178.812 177.584 -0.324 0.000 1.282 563 A CA 1.556 53.462 52.037 -0.220 0.000 0.971 563 A CB -2.453 16.301 19.000 -0.410 0.000 1.124 563 A HN 0.390 nan 8.150 nan 0.000 0.826 564 K N -0.240 120.086 120.400 -0.124 0.000 2.379 564 K HA 0.157 4.477 4.320 -0.001 0.000 0.194 564 K C 0.671 177.232 176.600 -0.064 0.000 1.031 564 K CA 0.980 57.200 56.287 -0.112 0.000 1.037 564 K CB 0.236 32.699 32.500 -0.062 0.000 0.824 564 K HN 1.050 nan 8.250 nan 0.000 0.516 565 S N -0.542 115.182 115.700 0.040 0.000 2.588 565 S HA 0.578 5.047 4.470 -0.001 0.000 0.275 565 S C -0.777 173.955 174.600 0.220 0.000 1.130 565 S CA -0.911 57.328 58.200 0.064 0.000 0.855 565 S CB 2.344 65.558 63.200 0.024 0.000 1.116 565 S HN -0.169 nan 8.310 nan 0.000 0.472 566 V N 2.048 122.064 119.914 0.170 0.000 2.623 566 V HA 0.474 4.594 4.120 -0.001 0.000 0.304 566 V C -0.873 175.407 176.094 0.309 0.000 1.054 566 V CA -0.604 61.898 62.300 0.335 0.000 0.882 566 V CB 1.567 33.672 31.823 0.469 0.000 1.002 566 V HN 0.933 nan 8.190 nan 0.000 0.424 567 I N 4.255 125.012 120.570 0.312 0.000 2.312 567 I HA 0.295 4.465 4.170 -0.001 0.000 0.290 567 I C -0.794 175.576 176.117 0.421 0.000 1.008 567 I CA -0.212 61.268 61.300 0.300 0.000 1.226 567 I CB 1.019 39.081 38.000 0.104 0.000 1.371 567 I HN 0.633 nan 8.210 nan 0.000 0.468 568 W N 7.170 128.619 121.300 0.248 0.000 2.335 568 W HA 0.366 5.026 4.660 -0.000 0.000 0.307 568 W C -0.566 175.920 176.519 -0.054 0.000 1.117 568 W CA -0.922 56.453 57.345 0.049 0.000 1.228 568 W CB 1.291 30.662 29.460 -0.148 0.000 1.240 568 W HN 0.323 nan 8.180 nan 0.000 0.468 569 T N 8.994 123.716 114.554 0.279 0.000 3.149 569 T HA 0.265 4.614 4.350 -0.001 0.000 0.373 569 T C -2.388 172.289 174.700 -0.037 0.000 1.364 569 T CA -1.210 60.892 62.100 0.004 0.000 1.110 569 T CB 0.852 69.719 68.868 -0.001 0.000 1.127 569 T HN 0.088 nan 8.240 nan 0.000 0.576 570 P HA 0.134 nan 4.420 nan 0.000 0.272 570 P C 0.075 177.265 177.300 -0.183 0.000 1.240 570 P CA -0.626 62.270 63.100 -0.340 0.000 0.791 570 P CB 0.569 31.789 31.700 -0.800 0.000 0.978 571 E N 2.020 122.152 120.200 -0.113 0.000 2.480 571 E HA -0.090 4.260 4.350 -0.001 0.000 0.258 571 E C -0.116 176.410 176.600 -0.123 0.000 0.984 571 E CA 0.031 56.374 56.400 -0.095 0.000 0.930 571 E CB -0.617 29.038 29.700 -0.076 0.000 0.936 571 E HN 0.316 nan 8.360 nan 0.000 0.466 572 N N 1.154 119.793 118.700 -0.103 0.000 2.725 572 N HA -0.233 4.507 4.740 -0.001 0.000 0.249 572 N C -1.135 174.297 175.510 -0.130 0.000 1.103 572 N CA 1.234 54.224 53.050 -0.100 0.000 0.707 572 N CB -1.502 36.932 38.487 -0.089 0.000 1.043 572 N HN 0.510 nan 8.380 nan 0.000 0.553 573 A N -1.194 121.526 122.820 -0.166 0.000 2.530 573 A HA 0.809 5.129 4.320 -0.001 0.000 0.288 573 A C -0.063 177.392 177.584 -0.214 0.000 1.172 573 A CA -0.367 51.544 52.037 -0.210 0.000 0.733 573 A CB 1.358 20.178 19.000 -0.301 0.000 1.320 573 A HN 0.023 nan 8.150 nan 0.000 0.419 574 S N 1.276 116.837 115.700 -0.232 0.000 2.610 574 S HA 0.556 5.026 4.470 -0.001 0.000 0.273 574 S C -2.541 171.908 174.600 -0.252 0.000 1.274 574 S CA -0.785 57.266 58.200 -0.248 0.000 1.023 574 S CB 0.676 63.736 63.200 -0.234 0.000 0.962 574 S HN 0.491 nan 8.310 nan 0.000 0.523 575 P HA 0.204 nan 4.420 nan 0.000 0.262 575 P C -1.382 175.851 177.300 -0.112 0.000 1.182 575 P CA 0.175 63.166 63.100 -0.181 0.000 0.761 575 P CB 0.311 31.850 31.700 -0.267 0.000 0.795 576 A N 3.157 125.974 122.820 -0.004 0.000 2.422 576 A HA 0.594 4.913 4.320 -0.001 0.000 0.302 576 A C -1.073 176.751 177.584 0.400 0.000 1.041 576 A CA -0.738 51.384 52.037 0.142 0.000 0.708 576 A CB 1.602 20.651 19.000 0.081 0.000 1.257 576 A HN 0.410 nan 8.150 nan 0.000 0.414 577 V N 1.326 121.432 119.914 0.319 0.000 2.547 577 V HA 0.814 4.934 4.120 -0.001 0.000 0.299 577 V C -0.029 176.093 176.094 0.046 0.000 1.040 577 V CA 0.123 62.535 62.300 0.186 0.000 0.913 577 V CB 1.901 33.710 31.823 -0.023 0.000 0.992 577 V HN 1.092 nan 8.190 nan 0.000 0.449 578 T N 2.820 117.214 114.554 -0.266 0.000 2.848 578 T HA 0.439 4.789 4.350 -0.001 0.000 0.285 578 T C 0.525 175.035 174.700 -0.317 0.000 0.995 578 T CA 0.189 61.937 62.100 -0.586 0.000 0.970 578 T CB 1.201 69.239 68.868 -1.384 0.000 0.976 578 T HN 0.979 nan 8.240 nan 0.000 0.441 579 T N 0.508 114.910 114.554 -0.252 0.000 3.134 579 T HA 0.279 4.629 4.350 -0.001 0.000 0.260 579 T C 0.392 174.976 174.700 -0.193 0.000 1.027 579 T CA -0.164 61.828 62.100 -0.179 0.000 0.913 579 T CB 0.071 68.866 68.868 -0.122 0.000 1.046 579 T HN 0.444 nan 8.240 nan 0.000 0.553 580 D N 1.315 121.560 120.400 -0.257 0.000 2.433 580 D HA 0.210 4.850 4.640 -0.001 0.000 0.211 580 D C 0.192 176.366 176.300 -0.211 0.000 1.114 580 D CA -0.160 53.716 54.000 -0.208 0.000 0.837 580 D CB 0.005 40.678 40.800 -0.213 0.000 0.984 580 D HN 0.068 nan 8.370 nan 0.000 0.505 581 N N 0.346 118.842 118.700 -0.341 0.000 2.725 581 N HA -0.181 4.559 4.740 -0.001 0.000 0.251 581 N C 1.007 176.399 175.510 -0.195 0.000 1.031 581 N CA 1.245 53.969 53.050 -0.545 0.000 0.720 581 N CB -1.237 37.057 38.487 -0.322 0.000 0.930 581 N HN 0.402 nan 8.380 nan 0.000 0.543 582 G N -1.226 107.432 108.800 -0.237 0.000 2.159 582 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.256 582 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.256 582 G C 1.052 176.033 174.900 0.136 0.000 0.977 582 G CA 0.506 45.639 45.100 0.056 0.000 0.652 582 G HN 0.576 nan 8.290 nan 0.000 0.531 583 N N 0.287 118.990 118.700 0.005 0.000 2.084 583 N HA -0.023 4.717 4.740 -0.001 0.000 0.190 583 N C 1.278 176.819 175.510 0.051 0.000 1.030 583 N CA 1.620 54.706 53.050 0.060 0.000 0.849 583 N CB -0.065 38.434 38.487 0.019 0.000 1.012 583 N HN 0.834 nan 8.380 nan 0.000 0.423 584 S N -0.873 114.771 115.700 -0.093 0.000 2.569 584 S HA 0.570 5.040 4.470 -0.001 0.000 0.280 584 S C -1.674 172.792 174.600 -0.222 0.000 1.111 584 S CA -0.944 57.236 58.200 -0.032 0.000 0.887 584 S CB 1.494 64.688 63.200 -0.011 0.000 1.095 584 S HN 0.227 nan 8.310 nan 0.000 0.476 585 W N 0.393 121.728 121.300 0.058 0.000 2.819 585 W HA 0.694 5.354 4.660 -0.000 0.000 0.337 585 W C -0.293 176.234 176.519 0.012 0.000 1.077 585 W CA -0.696 56.679 57.345 0.050 0.000 1.226 585 W CB 2.319 31.815 29.460 0.060 0.000 1.419 585 W HN 0.697 nan 8.180 nan 0.000 0.502 586 K N 2.190 122.732 120.400 0.238 0.000 2.463 586 K HA 0.567 4.887 4.320 -0.001 0.000 0.255 586 K C -1.053 175.611 176.600 0.107 0.000 0.942 586 K CA -0.770 55.591 56.287 0.124 0.000 0.814 586 K CB 1.356 33.889 32.500 0.055 0.000 1.122 586 K HN 0.411 nan 8.250 nan 0.000 0.425 587 V N 4.315 124.259 119.914 0.051 0.000 2.540 587 V HA 0.028 4.148 4.120 -0.001 0.000 0.297 587 V C 0.568 176.657 176.094 -0.008 0.000 1.024 587 V CA -0.304 61.992 62.300 -0.006 0.000 1.105 587 V CB -0.178 31.615 31.823 -0.051 0.000 0.938 587 V HN 1.029 nan 8.190 nan 0.000 0.482 588 C N 5.363 124.651 119.300 -0.020 0.000 2.651 588 C HA 0.293 4.753 4.460 -0.001 0.000 0.410 588 C C 1.341 176.320 174.990 -0.018 0.000 1.372 588 C CA -0.630 58.408 59.018 0.034 0.000 1.707 588 C CB -1.015 26.764 27.740 0.065 0.000 2.501 588 C HN 1.011 nan 8.230 nan 0.000 0.598 589 T N 0.988 115.568 114.554 0.043 0.000 2.940 589 T HA 0.174 4.523 4.350 -0.001 0.000 0.309 589 T C 0.602 175.300 174.700 -0.004 0.000 1.056 589 T CA 0.244 62.352 62.100 0.014 0.000 1.137 589 T CB -0.026 68.867 68.868 0.042 0.000 0.976 589 T HN 0.925 nan 8.240 nan 0.000 0.547 590 N N -0.096 118.569 118.700 -0.059 0.000 2.965 590 N HA -0.140 4.600 4.740 -0.001 0.000 0.232 590 N C -0.328 174.943 175.510 -0.399 0.000 0.913 590 N CA 0.738 53.740 53.050 -0.081 0.000 0.981 590 N CB -1.205 37.347 38.487 0.108 0.000 1.077 590 N HN 0.589 nan 8.380 nan 0.000 0.589 591 L N -0.513 120.369 121.223 -0.569 0.000 2.299 591 L HA 0.892 5.232 4.340 -0.001 0.000 0.268 591 L C 0.930 177.200 176.870 -0.999 0.000 1.012 591 L CA -0.606 53.586 54.840 -1.081 0.000 0.816 591 L CB 1.715 43.168 42.059 -1.010 0.000 1.355 591 L HN 0.092 nan 8.230 nan 0.000 0.457 595 A N 0.591 123.463 122.820 0.087 0.000 2.540 595 A HA 0.522 4.841 4.320 -0.001 0.000 0.239 595 A C 0.243 177.845 177.584 0.030 0.000 1.061 595 A CA 0.401 52.466 52.037 0.047 0.000 0.758 595 A CB 0.578 19.400 19.000 -0.297 0.000 0.991 595 A HN 0.782 nan 8.150 nan 0.000 0.502 596 V N 4.568 124.541 119.914 0.099 0.000 2.311 596 V HA 0.316 4.435 4.120 -0.001 0.000 0.275 596 V C -0.107 176.053 176.094 0.109 0.000 1.022 596 V CA -0.361 62.004 62.300 0.108 0.000 0.830 596 V CB 0.886 32.792 31.823 0.138 0.000 1.012 596 V HN 0.608 nan 8.190 nan 0.000 0.452 597 V N 4.167 124.139 119.914 0.098 0.000 2.483 597 V HA 0.913 5.033 4.120 -0.001 0.000 0.295 597 V C 0.317 176.564 176.094 0.254 0.000 1.035 597 V CA -0.307 62.079 62.300 0.144 0.000 0.896 597 V CB 1.643 33.520 31.823 0.089 0.000 0.986 597 V HN 0.956 nan 8.190 nan 0.000 0.447 598 A N 3.191 126.224 122.820 0.354 0.000 2.515 598 A HA 0.864 5.183 4.320 -0.001 0.000 0.298 598 A C -0.236 177.547 177.584 0.332 0.000 1.059 598 A CA -0.474 51.773 52.037 0.351 0.000 0.698 598 A CB 1.981 21.203 19.000 0.371 0.000 1.289 598 A HN 0.998 nan 8.150 nan 0.000 0.404 599 S N 0.753 116.509 115.700 0.093 0.000 2.578 599 S HA 0.530 5.000 4.470 -0.001 0.000 0.283 599 S C -0.295 174.250 174.600 -0.091 0.000 1.195 599 S CA -0.429 57.542 58.200 -0.381 0.000 1.050 599 S CB 1.135 63.916 63.200 -0.697 0.000 1.012 599 S HN 0.736 nan 8.310 nan 0.000 0.511 600 D N 0.034 120.325 120.400 -0.181 0.000 2.399 600 D HA 0.158 4.798 4.640 -0.001 0.000 0.241 600 D C 1.122 177.408 176.300 -0.023 0.000 1.133 600 D CA -0.299 53.761 54.000 0.100 0.000 0.890 600 D CB 0.666 41.506 40.800 0.067 0.000 1.201 600 D HN 0.432 nan 8.370 nan 0.000 0.432 601 R N 2.509 123.039 120.500 0.050 0.000 2.290 601 R HA 0.081 4.420 4.340 -0.001 0.000 0.197 601 R C 0.924 177.226 176.300 0.005 0.000 0.913 601 R CA 0.205 56.308 56.100 0.005 0.000 1.040 601 R CB 0.219 30.535 30.300 0.028 0.000 0.992 601 R HN 0.347 nan 8.270 nan 0.000 0.500 602 V N 0.317 120.240 119.914 0.016 0.000 2.806 602 V HA 0.083 4.203 4.120 -0.001 0.000 0.239 602 V C 0.591 176.689 176.094 0.006 0.000 1.113 602 V CA 0.330 62.638 62.300 0.013 0.000 1.137 602 V CB -0.036 31.798 31.823 0.018 0.000 0.865 602 V HN 0.125 nan 8.190 nan 0.000 0.482 603 N N 1.195 119.897 118.700 0.004 0.000 2.469 603 N HA 0.266 5.006 4.740 -0.001 0.000 0.253 603 N C 0.953 176.435 175.510 -0.045 0.000 0.970 603 N CA 0.441 53.488 53.050 -0.005 0.000 0.940 603 N CB 1.692 40.191 38.487 0.019 0.000 1.128 603 N HN 0.232 nan 8.380 nan 0.000 0.503 604 G N 2.625 111.408 108.800 -0.028 0.000 2.559 604 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 604 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 604 G C 1.305 176.229 174.900 0.040 0.000 1.126 604 G CA 0.536 45.624 45.100 -0.021 0.000 0.778 604 G HN 0.442 nan 8.290 nan 0.000 0.543 605 K N 0.218 120.633 120.400 0.025 0.000 2.365 605 K HA 0.110 4.430 4.320 -0.001 0.000 0.197 605 K C 0.662 177.290 176.600 0.046 0.000 1.042 605 K CA 0.355 56.670 56.287 0.047 0.000 0.987 605 K CB 0.259 32.768 32.500 0.015 0.000 0.779 605 K HN 0.245 nan 8.250 nan 0.000 0.484 606 K N 0.337 120.709 120.400 -0.047 0.000 2.213 606 K HA 0.347 4.667 4.320 -0.001 0.000 0.270 606 K C -0.770 175.597 176.600 -0.388 0.000 1.002 606 K CA -0.305 55.872 56.287 -0.183 0.000 0.868 606 K CB 0.925 33.316 32.500 -0.182 0.000 1.093 606 K HN -0.214 nan 8.250 nan 0.000 0.454 607 F N 1.553 121.209 119.950 -0.490 0.000 2.593 607 F HA 0.468 4.994 4.527 -0.001 0.000 0.320 607 F C -0.614 174.953 175.800 -0.389 0.000 1.060 607 F CA -0.814 56.990 58.000 -0.327 0.000 0.940 607 F CB 1.432 40.428 39.000 -0.007 0.000 1.268 607 F HN 0.353 nan 8.300 nan 0.000 0.475 608 Y N 0.650 121.270 120.300 0.533 0.000 2.570 608 Y HA 0.814 5.363 4.550 -0.001 0.000 0.345 608 Y C -0.415 175.599 175.900 0.189 0.000 1.014 608 Y CA -1.490 56.824 58.100 0.356 0.000 1.063 608 Y CB 2.054 40.750 38.460 0.394 0.000 1.272 608 Y HN 0.636 nan 8.280 nan 0.000 0.477 609 A N 1.727 124.510 122.820 -0.061 0.000 2.517 609 A HA 0.655 4.974 4.320 -0.001 0.000 0.297 609 A C -2.310 175.139 177.584 -0.224 0.000 1.050 609 A CA -0.575 51.364 52.037 -0.163 0.000 0.694 609 A CB 0.859 19.590 19.000 -0.448 0.000 1.277 609 A HN 0.654 nan 8.150 nan 0.000 0.400 610 F N 2.561 122.457 119.950 -0.090 0.000 2.411 610 F HA 0.691 5.217 4.527 -0.001 0.000 0.352 610 F C -1.083 174.792 175.800 0.125 0.000 1.123 610 F CA -0.211 57.825 58.000 0.060 0.000 1.044 610 F CB 1.203 40.265 39.000 0.103 0.000 1.135 610 F HN 0.626 nan 8.300 nan 0.000 0.461 611 Y N 6.344 126.549 120.300 -0.158 0.000 2.362 611 Y HA 0.269 4.819 4.550 -0.000 0.000 0.326 611 Y C -0.460 175.378 175.900 -0.104 0.000 1.083 611 Y CA -1.630 56.408 58.100 -0.104 0.000 1.073 611 Y CB 0.652 38.930 38.460 -0.302 0.000 1.211 611 Y HN 0.680 nan 8.280 nan 0.000 0.433 612 N N 4.358 122.734 118.700 -0.539 0.000 2.705 612 N HA -0.186 4.553 4.740 -0.001 0.000 0.255 612 N C 0.999 176.327 175.510 -0.303 0.000 1.008 612 N CA 1.931 54.697 53.050 -0.473 0.000 0.742 612 N CB -1.122 36.923 38.487 -0.737 0.000 0.906 612 N HN 1.565 nan 8.380 nan 0.000 0.541 613 G N -1.612 107.041 108.800 -0.246 0.000 2.168 613 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.263 613 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.263 613 G C 0.059 174.638 174.900 -0.535 0.000 0.977 613 G CA 1.102 46.046 45.100 -0.259 0.000 0.659 613 G HN 0.599 nan 8.290 nan 0.000 0.533 614 K N -0.982 119.012 120.400 -0.677 0.000 2.328 614 K HA 0.696 5.016 4.320 -0.001 0.000 0.246 614 K C -1.101 175.179 176.600 -0.533 0.000 0.955 614 K CA -1.026 54.962 56.287 -0.498 0.000 0.817 614 K CB 1.872 34.187 32.500 -0.309 0.000 1.208 614 K HN 0.034 nan 8.250 nan 0.000 0.432 615 F N 1.785 121.462 119.950 -0.455 0.000 2.422 615 F HA 0.420 4.946 4.527 -0.001 0.000 0.333 615 F C -1.057 174.634 175.800 -0.182 0.000 1.095 615 F CA -0.203 57.709 58.000 -0.147 0.000 1.038 615 F CB 0.748 39.786 39.000 0.064 0.000 1.156 615 F HN 0.379 nan 8.300 nan 0.000 0.483 616 Y N 6.022 126.082 120.300 -0.400 0.000 2.462 616 Y HA 0.549 5.098 4.550 -0.001 0.000 0.346 616 Y C -0.573 175.370 175.900 0.072 0.000 0.976 616 Y CA -0.972 57.091 58.100 -0.063 0.000 1.044 616 Y CB 1.923 40.390 38.460 0.011 0.000 1.230 616 Y HN 0.454 nan 8.280 nan 0.000 0.455 617 I N 1.779 122.546 120.570 0.329 0.000 2.493 617 I HA 0.539 4.709 4.170 -0.001 0.000 0.298 617 I C -0.758 175.375 176.117 0.027 0.000 0.998 617 I CA -0.329 61.131 61.300 0.268 0.000 1.137 617 I CB 1.448 39.593 38.000 0.242 0.000 1.310 617 I HN 0.582 nan 8.210 nan 0.000 0.445 618 S N 3.049 118.555 115.700 -0.324 0.000 2.482 618 S HA 0.504 4.974 4.470 -0.001 0.000 0.303 618 S C 0.256 174.700 174.600 -0.259 0.000 1.091 618 S CA -0.225 57.617 58.200 -0.596 0.000 1.057 618 S CB 1.196 63.555 63.200 -1.402 0.000 1.031 618 S HN 0.741 nan 8.310 nan 0.000 0.485 619 T N -0.152 114.308 114.554 -0.157 0.000 3.111 619 T HA 0.228 4.578 4.350 -0.001 0.000 0.284 619 T C -0.067 174.601 174.700 -0.054 0.000 0.983 619 T CA -0.188 61.876 62.100 -0.061 0.000 0.900 619 T CB -0.151 68.719 68.868 0.003 0.000 1.132 619 T HN 0.599 nan 8.240 nan 0.000 0.531 620 D N 0.895 121.237 120.400 -0.097 0.000 2.670 620 D HA 0.337 4.977 4.640 -0.001 0.000 0.255 620 D C 1.337 177.591 176.300 -0.076 0.000 1.286 620 D CA -0.334 53.623 54.000 -0.072 0.000 0.830 620 D CB -0.324 40.433 40.800 -0.073 0.000 1.065 620 D HN 0.404 nan 8.370 nan 0.000 0.486 621 G N -0.220 108.563 108.800 -0.028 0.000 2.176 621 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.252 621 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.252 621 G C 1.127 175.886 174.900 -0.236 0.000 1.024 621 G CA 0.326 45.451 45.100 0.041 0.000 0.755 621 G HN 1.448 nan 8.290 nan 0.000 0.507 622 G N -1.777 106.786 108.800 -0.395 0.000 2.157 622 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.239 622 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.239 622 G C 1.219 175.962 174.900 -0.261 0.000 0.982 622 G CA 0.806 45.551 45.100 -0.592 0.000 0.650 622 G HN 1.209 nan 8.290 nan 0.000 0.527 623 L N 0.631 121.732 121.223 -0.202 0.000 2.072 623 L HA 0.215 4.555 4.340 -0.001 0.000 0.205 623 L C 1.824 178.671 176.870 -0.038 0.000 1.079 623 L CA 1.874 56.662 54.840 -0.087 0.000 0.752 623 L CB -0.279 41.736 42.059 -0.074 0.000 0.906 623 L HN 0.592 nan 8.230 nan 0.000 0.436 624 T N -2.998 111.493 114.554 -0.106 0.000 2.893 624 T HA 0.561 4.911 4.350 -0.001 0.000 0.293 624 T C -0.838 173.784 174.700 -0.131 0.000 1.027 624 T CA -0.551 61.535 62.100 -0.023 0.000 0.988 624 T CB 1.761 70.624 68.868 -0.008 0.000 1.043 624 T HN -0.161 nan 8.240 nan 0.000 0.461 625 F N 0.848 120.802 119.950 0.006 0.000 2.522 625 F HA 0.655 5.181 4.527 -0.000 0.000 0.324 625 F C 0.596 176.500 175.800 0.174 0.000 1.077 625 F CA -0.670 57.374 58.000 0.073 0.000 0.944 625 F CB 2.794 41.802 39.000 0.014 0.000 1.175 625 F HN 0.604 nan 8.300 nan 0.000 0.468 626 T N 1.349 116.124 114.554 0.368 0.000 2.841 626 T HA 0.117 4.466 4.350 -0.001 0.000 0.285 626 T C -1.082 173.697 174.700 0.132 0.000 0.991 626 T CA -0.717 61.537 62.100 0.257 0.000 0.966 626 T CB 1.184 70.145 68.868 0.155 0.000 0.962 626 T HN 0.416 nan 8.240 nan 0.000 0.438 627 D N 2.677 123.020 120.400 -0.095 0.000 2.502 627 D HA -0.048 4.592 4.640 -0.001 0.000 0.249 627 D C 1.569 177.738 176.300 -0.218 0.000 1.188 627 D CA 0.417 54.105 54.000 -0.521 0.000 0.890 627 D CB 0.951 41.495 40.800 -0.427 0.000 1.140 627 D HN 0.663 nan 8.370 nan 0.000 0.505 628 T N 0.900 115.310 114.554 -0.241 0.000 3.072 628 T HA -0.093 4.257 4.350 -0.001 0.000 0.266 628 T C 0.940 175.614 174.700 -0.042 0.000 1.127 628 T CA 0.279 62.206 62.100 -0.289 0.000 1.107 628 T CB -0.227 68.305 68.868 -0.560 0.000 0.910 628 T HN 0.667 nan 8.240 nan 0.000 0.513 629 K N 0.545 120.911 120.400 -0.057 0.000 3.129 629 K HA -0.123 4.197 4.320 -0.001 0.000 0.273 629 K C 0.259 176.884 176.600 0.042 0.000 1.123 629 K CA 0.133 56.418 56.287 -0.004 0.000 0.800 629 K CB -2.505 30.019 32.500 0.039 0.000 1.238 629 K HN 0.716 nan 8.250 nan 0.000 0.492 630 A N 1.512 124.360 122.820 0.047 0.000 2.561 630 A HA 0.118 4.437 4.320 -0.001 0.000 0.251 630 A C -0.164 177.466 177.584 0.077 0.000 1.062 630 A CA -0.662 51.434 52.037 0.099 0.000 0.761 630 A CB 0.092 19.198 19.000 0.177 0.000 0.986 630 A HN 0.164 nan 8.150 nan 0.000 0.510 631 P HA -0.116 nan 4.420 nan 0.000 0.218 631 P C 0.044 177.399 177.300 0.092 0.000 1.149 631 P CA 1.254 64.400 63.100 0.076 0.000 0.817 631 P CB 0.263 32.009 31.700 0.077 0.000 0.785 632 Q N -0.234 119.650 119.800 0.140 0.000 2.275 632 Q HA 0.602 4.942 4.340 -0.001 0.000 0.266 632 Q C -0.887 175.193 176.000 0.134 0.000 1.002 632 Q CA -0.332 55.590 55.803 0.197 0.000 0.761 632 Q CB 2.305 31.225 28.738 0.304 0.000 1.255 632 Q HN 0.046 nan 8.270 nan 0.000 0.446 633 L N 2.598 123.747 121.223 -0.123 0.000 2.359 633 L HA 0.695 5.034 4.340 -0.001 0.000 0.256 633 L C -2.243 174.182 176.870 -0.742 0.000 1.026 633 L CA -2.247 52.239 54.840 -0.589 0.000 0.828 633 L CB 2.174 44.086 42.059 -0.245 0.000 1.406 633 L HN 0.453 nan 8.230 nan 0.000 0.413 634 P HA 0.144 nan 4.420 nan 0.000 0.272 634 P C -0.405 176.806 177.300 -0.148 0.000 1.240 634 P CA -0.453 62.324 63.100 -0.537 0.000 0.791 634 P CB 0.915 32.190 31.700 -0.709 0.000 0.978 635 K N -0.273 120.097 120.400 -0.050 0.000 2.155 635 K HA 0.036 4.355 4.320 -0.001 0.000 0.203 635 K C 1.108 177.761 176.600 0.089 0.000 1.052 635 K CA 1.134 57.438 56.287 0.030 0.000 0.948 635 K CB -0.408 32.100 32.500 0.015 0.000 0.728 635 K HN 0.722 nan 8.250 nan 0.000 0.448 636 S N -0.934 114.729 115.700 -0.061 0.000 2.596 636 S HA 0.577 5.047 4.470 -0.001 0.000 0.270 636 S C -0.516 173.788 174.600 -0.493 0.000 1.155 636 S CA -0.950 57.160 58.200 -0.150 0.000 0.827 636 S CB 1.960 65.130 63.200 -0.050 0.000 1.130 636 S HN -0.037 nan 8.310 nan 0.000 0.467 637 V N -0.563 118.986 119.914 -0.608 0.000 3.040 637 V HA 0.715 4.834 4.120 -0.001 0.000 0.312 637 V C 0.409 176.375 176.094 -0.213 0.000 1.115 637 V CA -0.716 61.282 62.300 -0.504 0.000 0.998 637 V CB 1.656 33.039 31.823 -0.734 0.000 1.042 637 V HN 0.961 nan 8.190 nan 0.000 0.433 638 N N 1.127 119.757 118.700 -0.117 0.000 2.349 638 N HA 0.178 4.918 4.740 -0.001 0.000 0.180 638 N C 0.183 175.690 175.510 -0.006 0.000 1.024 638 N CA 1.012 54.042 53.050 -0.032 0.000 0.869 638 N CB 0.284 38.784 38.487 0.022 0.000 1.022 638 N HN 0.740 nan 8.380 nan 0.000 0.433 639 K N 0.246 120.650 120.400 0.007 0.000 2.477 639 K HA 0.371 4.690 4.320 -0.001 0.000 0.255 639 K C -0.826 175.835 176.600 0.101 0.000 0.952 639 K CA -0.683 55.641 56.287 0.062 0.000 0.826 639 K CB 2.502 35.048 32.500 0.076 0.000 1.331 639 K HN 0.263 nan 8.250 nan 0.000 0.437 640 I N -2.231 118.444 120.570 0.175 0.000 2.689 640 I HA 0.637 4.806 4.170 -0.001 0.000 0.299 640 I C -1.026 175.286 176.117 0.326 0.000 1.059 640 I CA -0.694 60.775 61.300 0.281 0.000 1.055 640 I CB 2.545 40.765 38.000 0.368 0.000 1.243 640 I HN 0.425 nan 8.210 nan 0.000 0.425 641 K N 4.099 124.755 120.400 0.426 0.000 2.550 641 K HA 0.753 5.073 4.320 -0.001 0.000 0.252 641 K C -1.466 175.491 176.600 0.596 0.000 0.943 641 K CA -0.554 56.013 56.287 0.465 0.000 0.806 641 K CB 2.291 35.036 32.500 0.407 0.000 1.289 641 K HN 0.957 nan 8.250 nan 0.000 0.435 642 A N 2.426 125.533 122.820 0.478 0.000 2.279 642 A HA 0.555 4.874 4.320 -0.001 0.000 0.303 642 A C -0.623 177.126 177.584 0.275 0.000 1.108 642 A CA -0.605 51.667 52.037 0.392 0.000 0.830 642 A CB 1.057 20.271 19.000 0.358 0.000 1.106 642 A HN 0.387 nan 8.150 nan 0.000 0.493 643 V N 3.075 123.037 119.914 0.079 0.000 2.406 643 V HA 0.243 4.363 4.120 -0.001 0.000 0.272 643 V C -2.178 173.838 176.094 -0.130 0.000 1.043 643 V CA -1.407 60.729 62.300 -0.274 0.000 0.915 643 V CB 0.893 32.473 31.823 -0.406 0.000 0.988 643 V HN 0.735 nan 8.190 nan 0.000 0.466 644 P HA 0.093 nan 4.420 nan 0.000 0.260 644 P C 1.026 178.260 177.300 -0.110 0.000 1.172 644 P CA 1.586 64.665 63.100 -0.035 0.000 0.760 644 P CB 0.342 32.067 31.700 0.041 0.000 0.773 645 G N 2.094 110.849 108.800 -0.075 0.000 2.179 645 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.260 645 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.260 645 G C 0.015 174.820 174.900 -0.157 0.000 0.977 645 G CA -0.110 44.931 45.100 -0.098 0.000 0.641 645 G HN 0.531 nan 8.290 nan 0.000 0.533 646 K N 0.918 121.195 120.400 -0.206 0.000 2.621 646 K HA 0.311 4.630 4.320 -0.001 0.000 0.233 646 K C -0.266 176.238 176.600 -0.161 0.000 0.972 646 K CA -0.578 55.494 56.287 -0.357 0.000 0.988 646 K CB 1.615 33.655 32.500 -0.768 0.000 1.187 646 K HN 0.513 nan 8.250 nan 0.000 0.471 647 E N 0.249 120.429 120.200 -0.033 0.000 2.376 647 E HA 0.134 4.483 4.350 -0.001 0.000 0.266 647 E C 0.752 177.492 176.600 0.232 0.000 1.009 647 E CA 0.872 57.337 56.400 0.109 0.000 0.902 647 E CB 0.340 30.096 29.700 0.093 0.000 0.972 647 E HN 0.777 nan 8.360 nan 0.000 0.439 648 G N 4.069 113.049 108.800 0.300 0.000 2.168 648 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.263 648 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.263 648 G C -0.115 174.875 174.900 0.151 0.000 0.977 648 G CA 0.322 45.581 45.100 0.265 0.000 0.659 648 G HN 0.790 nan 8.290 nan 0.000 0.533 649 H N -0.038 119.052 119.070 0.033 0.000 2.846 649 H HA 0.426 4.982 4.556 -0.000 0.000 0.278 649 H C -0.395 174.982 175.328 0.082 0.000 1.117 649 H CA -0.280 55.796 56.048 0.047 0.000 1.406 649 H CB 1.128 31.004 29.762 0.191 0.000 1.445 649 H HN 0.109 nan 8.280 nan 0.000 0.469 650 V N 4.699 124.620 119.914 0.011 0.000 2.487 650 V HA 0.168 4.288 4.120 -0.001 0.000 0.298 650 V C -0.722 175.523 176.094 0.253 0.000 1.028 650 V CA -0.912 61.474 62.300 0.143 0.000 0.860 650 V CB 1.433 33.211 31.823 -0.076 0.000 0.991 650 V HN 0.644 nan 8.190 nan 0.000 0.427 651 W N 4.407 125.944 121.300 0.395 0.000 2.606 651 W HA 0.775 5.435 4.660 -0.001 0.000 0.332 651 W C -0.591 176.123 176.519 0.324 0.000 1.052 651 W CA -0.626 56.971 57.345 0.421 0.000 1.223 651 W CB 1.456 31.231 29.460 0.525 0.000 1.383 651 W HN 0.313 nan 8.180 nan 0.000 0.524 652 L N 3.649 125.135 121.223 0.438 0.000 2.305 652 L HA 0.670 5.010 4.340 -0.001 0.000 0.284 652 L C 0.205 177.204 176.870 0.215 0.000 1.013 652 L CA -1.178 53.774 54.840 0.186 0.000 0.819 652 L CB 1.178 43.147 42.059 -0.149 0.000 1.227 652 L HN 0.539 nan 8.230 nan 0.000 0.417 653 A N 2.801 125.700 122.820 0.131 0.000 2.366 653 A HA 0.645 4.965 4.320 -0.001 0.000 0.322 653 A C 0.676 178.252 177.584 -0.012 0.000 1.397 653 A CA -0.254 51.838 52.037 0.091 0.000 0.984 653 A CB 0.642 19.695 19.000 0.089 0.000 1.149 653 A HN 0.844 nan 8.150 nan 0.000 0.540 654 A N 3.310 126.123 122.820 -0.011 0.000 2.577 654 A HA 0.465 4.785 4.320 -0.001 0.000 0.280 654 A C 1.273 178.810 177.584 -0.078 0.000 1.331 654 A CA 0.008 51.987 52.037 -0.097 0.000 0.935 654 A CB -0.373 18.569 19.000 -0.097 0.000 1.082 654 A HN 1.016 nan 8.150 nan 0.000 0.525 655 R N -0.355 120.078 120.500 -0.111 0.000 3.793 655 R HA -0.237 4.103 4.340 -0.001 0.000 0.464 655 R C 0.815 176.984 176.300 -0.218 0.000 0.241 655 R CA 1.794 57.746 56.100 -0.246 0.000 1.464 655 R CB -1.118 29.145 30.300 -0.061 0.000 0.954 655 R HN 0.523 nan 8.270 nan 0.000 0.583 656 E N 0.958 121.082 120.200 -0.126 0.000 2.265 656 E HA -0.078 4.272 4.350 -0.001 0.000 0.196 656 E C 1.917 178.506 176.600 -0.018 0.000 0.996 656 E CA 1.389 57.747 56.400 -0.069 0.000 0.832 656 E CB -0.286 29.402 29.700 -0.020 0.000 0.756 656 E HN 0.732 nan 8.360 nan 0.000 0.491 657 G N 0.978 109.785 108.800 0.013 0.000 2.679 657 G HA2 0.152 4.112 3.960 -0.001 0.000 0.212 657 G HA3 0.152 4.112 3.960 -0.001 0.000 0.212 657 G C 0.857 175.903 174.900 0.244 0.000 1.137 657 G CA 0.535 45.706 45.100 0.118 0.000 0.787 657 G HN 0.541 nan 8.290 nan 0.000 0.534 658 G N -1.061 107.799 108.800 0.100 0.000 2.548 658 G HA2 0.093 4.053 3.960 -0.001 0.000 0.208 658 G HA3 0.093 4.053 3.960 -0.001 0.000 0.208 658 G C -0.921 174.068 174.900 0.149 0.000 1.308 658 G CA -0.216 44.914 45.100 0.050 0.000 0.924 658 G HN 0.983 nan 8.290 nan 0.000 0.540 659 L N -0.411 120.853 121.223 0.068 0.000 2.325 659 L HA 0.886 5.226 4.340 -0.001 0.000 0.281 659 L C -1.103 175.873 176.870 0.176 0.000 1.004 659 L CA -0.921 54.053 54.840 0.222 0.000 0.823 659 L CB 1.118 43.294 42.059 0.195 0.000 1.236 659 L HN 0.645 nan 8.230 nan 0.000 0.415 660 W N 5.002 126.363 121.300 0.102 0.000 2.689 660 W HA 0.760 5.419 4.660 -0.001 0.000 0.340 660 W C -0.380 176.129 176.519 -0.016 0.000 1.060 660 W CA -0.634 56.730 57.345 0.031 0.000 1.218 660 W CB 1.372 30.784 29.460 -0.080 0.000 1.410 660 W HN 0.535 nan 8.180 nan 0.000 0.528 661 R N 0.758 121.259 120.500 0.002 0.000 2.686 661 R HA 0.858 5.198 4.340 -0.001 0.000 0.283 661 R C -1.013 175.076 176.300 -0.352 0.000 0.978 661 R CA -0.759 55.002 56.100 -0.565 0.000 0.897 661 R CB 2.142 31.539 30.300 -1.506 0.000 1.192 661 R HN 0.333 nan 8.270 nan 0.000 0.457 662 S N 0.087 115.413 115.700 -0.623 0.000 2.568 662 S HA 0.435 4.905 4.470 -0.001 0.000 0.293 662 S C -0.019 174.190 174.600 -0.653 0.000 1.089 662 S CA -0.266 57.432 58.200 -0.837 0.000 0.945 662 S CB 1.828 64.098 63.200 -1.550 0.000 1.077 662 S HN 0.778 nan 8.310 nan 0.000 0.485 663 T N -0.544 113.676 114.554 -0.558 0.000 3.170 663 T HA 0.292 4.641 4.350 -0.001 0.000 0.288 663 T C -0.341 174.229 174.700 -0.216 0.000 0.992 663 T CA -0.023 61.738 62.100 -0.565 0.000 0.909 663 T CB -0.315 68.159 68.868 -0.657 0.000 1.133 663 T HN 0.607 nan 8.240 nan 0.000 0.530 664 D N 0.070 120.354 120.400 -0.194 0.000 2.740 664 D HA 0.369 5.009 4.640 -0.001 0.000 0.301 664 D C 1.305 177.669 176.300 0.108 0.000 1.408 664 D CA -0.229 53.755 54.000 -0.027 0.000 0.808 664 D CB -0.188 40.591 40.800 -0.036 0.000 1.128 664 D HN 0.364 nan 8.370 nan 0.000 0.465 665 G N -0.155 108.679 108.800 0.057 0.000 2.160 665 G HA2 0.024 3.984 3.960 -0.001 0.000 0.251 665 G HA3 0.024 3.984 3.960 -0.001 0.000 0.251 665 G C 1.150 176.137 174.900 0.146 0.000 1.008 665 G CA 0.297 45.542 45.100 0.242 0.000 0.724 665 G HN 1.470 nan 8.290 nan 0.000 0.514 666 G N -2.281 106.328 108.800 -0.319 0.000 2.132 666 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.234 666 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.234 666 G C 0.794 175.458 174.900 -0.394 0.000 0.989 666 G CA 0.964 45.636 45.100 -0.713 0.000 0.676 666 G HN 0.950 nan 8.290 nan 0.000 0.522 667 Y N 1.118 121.311 120.300 -0.178 0.000 2.243 667 Y HA 0.201 4.751 4.550 -0.001 0.000 0.293 667 Y C 2.198 178.037 175.900 -0.102 0.000 1.124 667 Y CA 1.985 60.050 58.100 -0.059 0.000 1.159 667 Y CB 0.325 38.771 38.460 -0.023 0.000 1.008 667 Y HN 0.524 nan 8.280 nan 0.000 0.527 668 T N -2.237 112.255 114.554 -0.104 0.000 2.861 668 T HA 0.577 4.927 4.350 -0.001 0.000 0.287 668 T C -1.005 173.495 174.700 -0.333 0.000 1.003 668 T CA -0.674 61.363 62.100 -0.104 0.000 0.977 668 T CB 1.373 70.213 68.868 -0.046 0.000 0.996 668 T HN -0.123 nan 8.240 nan 0.000 0.448 669 F N 0.875 120.809 119.950 -0.027 0.000 2.538 669 F HA 0.613 5.139 4.527 -0.000 0.000 0.325 669 F C 0.445 176.294 175.800 0.081 0.000 1.066 669 F CA -0.919 57.090 58.000 0.015 0.000 0.946 669 F CB 2.152 41.221 39.000 0.114 0.000 1.199 669 F HN 0.739 nan 8.300 nan 0.000 0.473 670 E N 3.130 123.445 120.200 0.193 0.000 2.199 670 E HA 0.205 4.555 4.350 -0.001 0.000 0.265 670 E C -1.212 175.272 176.600 -0.193 0.000 0.882 670 E CA -0.822 55.568 56.400 -0.017 0.000 0.759 670 E CB 1.461 31.093 29.700 -0.112 0.000 1.148 670 E HN 0.580 nan 8.360 nan 0.000 0.412 671 K N 5.034 125.041 120.400 -0.654 0.000 2.297 671 K HA 0.146 4.466 4.320 -0.001 0.000 0.286 671 K C -0.632 175.649 176.600 -0.531 0.000 1.053 671 K CA -0.576 55.011 56.287 -1.167 0.000 0.940 671 K CB 0.426 31.843 32.500 -1.805 0.000 1.019 671 K HN 0.410 nan 8.250 nan 0.000 0.475 672 L N 4.198 125.215 121.223 -0.344 0.000 2.418 672 L HA -0.003 4.337 4.340 -0.001 0.000 0.274 672 L C 1.512 178.290 176.870 -0.154 0.000 1.135 672 L CA 0.517 55.281 54.840 -0.126 0.000 0.870 672 L CB 1.231 43.345 42.059 0.090 0.000 1.154 672 L HN 0.794 nan 8.230 nan 0.000 0.462 673 S N 1.276 116.909 115.700 -0.113 0.000 2.453 673 S HA -0.120 4.350 4.470 -0.001 0.000 0.231 673 S C 1.206 175.756 174.600 -0.084 0.000 1.005 673 S CA 0.800 58.934 58.200 -0.110 0.000 0.949 673 S CB -0.449 62.702 63.200 -0.081 0.000 0.774 673 S HN 0.792 nan 8.310 nan 0.000 0.510 674 N N 1.148 119.825 118.700 -0.037 0.000 2.370 674 N HA 0.116 4.856 4.740 -0.001 0.000 0.198 674 N C -0.422 174.973 175.510 -0.191 0.000 1.156 674 N CA -0.117 52.910 53.050 -0.040 0.000 0.839 674 N CB -0.011 38.536 38.487 0.100 0.000 0.989 674 N HN 0.347 nan 8.380 nan 0.000 0.468 675 V N 0.713 120.484 119.914 -0.238 0.000 2.483 675 V HA 0.149 4.268 4.120 -0.001 0.000 0.297 675 V C 0.414 176.350 176.094 -0.263 0.000 1.027 675 V CA -0.798 61.274 62.300 -0.381 0.000 0.855 675 V CB 1.871 33.428 31.823 -0.444 0.000 0.995 675 V HN 0.038 nan 8.190 nan 0.000 0.424 676 D N 3.127 123.370 120.400 -0.263 0.000 2.154 676 D HA -0.006 4.634 4.640 -0.001 0.000 0.211 676 D C 0.496 176.699 176.300 -0.162 0.000 0.977 676 D CA 1.182 55.077 54.000 -0.175 0.000 0.869 676 D CB 0.683 41.394 40.800 -0.147 0.000 1.022 676 D HN 0.546 nan 8.370 nan 0.000 0.461 677 T N 0.041 114.478 114.554 -0.196 0.000 2.848 677 T HA 0.719 5.068 4.350 -0.001 0.000 0.285 677 T C -0.834 173.721 174.700 -0.242 0.000 0.995 677 T CA -0.616 61.352 62.100 -0.221 0.000 0.970 677 T CB 1.923 70.663 68.868 -0.214 0.000 0.976 677 T HN 0.207 nan 8.240 nan 0.000 0.441 678 A N 2.286 124.959 122.820 -0.244 0.000 2.522 678 A HA 0.502 4.822 4.320 -0.001 0.000 0.285 678 A C 0.523 178.014 177.584 -0.155 0.000 1.198 678 A CA -0.602 51.347 52.037 -0.148 0.000 0.742 678 A CB 0.425 19.392 19.000 -0.055 0.000 1.176 678 A HN 0.974 nan 8.150 nan 0.000 0.444 679 H N 1.161 120.249 119.070 0.031 0.000 2.403 679 H HA 0.097 4.653 4.556 -0.001 0.000 0.298 679 H C 0.785 176.120 175.328 0.012 0.000 1.059 679 H CA 2.224 58.281 56.048 0.015 0.000 1.363 679 H CB 0.421 30.189 29.762 0.010 0.000 1.410 679 H HN 0.688 nan 8.280 nan 0.000 0.528 680 V N -2.407 117.586 119.914 0.132 0.000 3.147 680 V HA 0.627 4.747 4.120 -0.001 0.000 0.306 680 V C -0.691 175.435 176.094 0.053 0.000 1.209 680 V CA -1.030 61.315 62.300 0.075 0.000 1.023 680 V CB 2.641 34.491 31.823 0.045 0.000 1.059 680 V HN -0.118 nan 8.190 nan 0.000 0.435 681 V N 1.384 121.305 119.914 0.012 0.000 2.760 681 V HA 1.026 5.146 4.120 -0.001 0.000 0.309 681 V C 0.149 176.065 176.094 -0.297 0.000 1.077 681 V CA 0.777 63.023 62.300 -0.090 0.000 0.910 681 V CB 1.685 33.505 31.823 -0.006 0.000 1.008 681 V HN 1.773 nan 8.190 nan 0.000 0.424 682 G N 4.300 112.805 108.800 -0.490 0.000 2.684 682 G HA2 0.781 4.741 3.960 -0.001 0.000 0.290 682 G HA3 0.781 4.741 3.960 -0.001 0.000 0.290 682 G C -2.030 172.451 174.900 -0.697 0.000 1.425 682 G CA -0.594 44.160 45.100 -0.577 0.000 0.822 682 G HN 0.579 nan 8.290 nan 0.000 0.482 683 F N -0.830 119.241 119.950 0.202 0.000 2.599 683 F HA 0.860 5.387 4.527 -0.000 0.000 0.311 683 F C 0.653 176.598 175.800 0.241 0.000 1.076 683 F CA -0.488 57.634 58.000 0.204 0.000 0.937 683 F CB 2.525 41.568 39.000 0.072 0.000 1.282 683 F HN 0.836 nan 8.300 nan 0.000 0.460 684 G N 0.227 109.317 108.800 0.483 0.000 2.788 684 G HA2 0.430 4.389 3.960 -0.001 0.000 0.293 684 G HA3 0.430 4.389 3.960 -0.001 0.000 0.293 684 G C -1.718 173.361 174.900 0.298 0.000 1.392 684 G CA -1.140 44.169 45.100 0.348 0.000 0.810 684 G HN 0.591 nan 8.290 nan 0.000 0.508 685 K N 0.252 120.803 120.400 0.253 0.000 2.524 685 K HA 0.393 4.713 4.320 -0.001 0.000 0.279 685 K C 0.722 177.509 176.600 0.311 0.000 0.993 685 K CA 0.099 56.527 56.287 0.234 0.000 1.030 685 K CB 0.342 32.975 32.500 0.222 0.000 0.891 685 K HN 0.643 nan 8.250 nan 0.000 0.488 686 A N 3.308 126.229 122.820 0.169 0.000 2.498 686 A HA 0.297 4.617 4.320 -0.001 0.000 0.239 686 A C 0.084 177.664 177.584 -0.007 0.000 1.068 686 A CA 0.250 52.354 52.037 0.111 0.000 0.766 686 A CB 0.174 19.195 19.000 0.035 0.000 1.003 686 A HN 0.887 nan 8.150 nan 0.000 0.497 687 A N 3.758 126.480 122.820 -0.164 0.000 2.520 687 A HA 0.486 4.806 4.320 -0.001 0.000 0.235 687 A C -2.170 175.184 177.584 -0.384 0.000 1.065 687 A CA -0.916 50.703 52.037 -0.697 0.000 0.764 687 A CB -0.727 18.006 19.000 -0.444 0.000 1.002 687 A HN 0.656 nan 8.150 nan 0.000 0.502 688 P HA 0.214 nan 4.420 nan 0.000 0.261 688 P C 1.064 178.285 177.300 -0.132 0.000 1.183 688 P CA 1.954 64.933 63.100 -0.202 0.000 0.761 688 P CB 0.469 32.064 31.700 -0.175 0.000 0.785 689 G N 1.577 110.328 108.800 -0.082 0.000 2.241 689 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.244 689 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.244 689 G C 0.173 175.052 174.900 -0.035 0.000 0.998 689 G CA -0.346 44.724 45.100 -0.050 0.000 0.621 689 G HN 0.520 nan 8.290 nan 0.000 0.519 690 Q N 0.525 120.299 119.800 -0.043 0.000 2.306 690 Q HA 0.436 4.776 4.340 -0.001 0.000 0.241 690 Q C 0.111 176.124 176.000 0.021 0.000 0.948 690 Q CA -0.141 55.657 55.803 -0.008 0.000 0.886 690 Q CB 1.034 29.767 28.738 -0.008 0.000 1.227 690 Q HN 0.313 nan 8.270 nan 0.000 0.457 691 D N 0.166 120.603 120.400 0.062 0.000 2.395 691 D HA 0.103 4.743 4.640 -0.001 0.000 0.213 691 D C -0.327 176.067 176.300 0.158 0.000 1.110 691 D CA 0.359 54.408 54.000 0.081 0.000 0.835 691 D CB 0.470 41.317 40.800 0.078 0.000 0.965 691 D HN 0.349 nan 8.370 nan 0.000 0.505 695 I N 1.733 122.182 120.570 -0.202 0.000 2.377 695 I HA 0.547 4.717 4.170 -0.001 0.000 0.293 695 I C -1.100 174.831 176.117 -0.309 0.000 0.987 695 I CA -0.581 60.634 61.300 -0.142 0.000 1.185 695 I CB 1.417 39.322 38.000 -0.159 0.000 1.341 695 I HN 0.630 nan 8.210 nan 0.000 0.455 696 Y N 6.363 126.701 120.300 0.064 0.000 2.376 696 Y HA 0.693 5.243 4.550 -0.001 0.000 0.340 696 Y C 0.018 175.984 175.900 0.110 0.000 0.965 696 Y CA -0.917 57.269 58.100 0.142 0.000 1.078 696 Y CB 1.790 40.283 38.460 0.055 0.000 1.193 696 Y HN 0.389 nan 8.280 nan 0.000 0.452 697 I N -0.626 120.148 120.570 0.340 0.000 3.074 697 I HA 0.894 5.064 4.170 -0.001 0.000 0.310 697 I C -0.637 175.642 176.117 0.270 0.000 1.153 697 I CA -1.002 60.426 61.300 0.213 0.000 0.993 697 I CB 2.690 40.740 38.000 0.083 0.000 1.237 697 I HN 0.540 nan 8.210 nan 0.000 0.443 698 T N 0.492 115.180 114.554 0.223 0.000 2.912 698 T HA 0.946 5.296 4.350 -0.001 0.000 0.288 698 T C 0.037 174.936 174.700 0.331 0.000 1.030 698 T CA 0.026 62.319 62.100 0.322 0.000 1.020 698 T CB 1.553 70.562 68.868 0.235 0.000 1.056 698 T HN 1.683 nan 8.240 nan 0.000 0.480 699 G N 1.309 110.354 108.800 0.409 0.000 2.384 699 G HA2 0.258 4.218 3.960 -0.001 0.000 0.113 699 G HA3 0.258 4.218 3.960 -0.001 0.000 0.113 699 G C -1.592 173.498 174.900 0.317 0.000 1.224 699 G CA -0.550 44.729 45.100 0.299 0.000 1.126 699 G HN 0.867 nan 8.290 nan 0.000 0.461 700 K N 0.227 120.676 120.400 0.082 0.000 2.535 700 K HA 0.705 5.025 4.320 -0.001 0.000 0.250 700 K C -1.526 174.885 176.600 -0.315 0.000 0.948 700 K CA -0.665 55.623 56.287 0.001 0.000 0.796 700 K CB 1.455 33.956 32.500 0.002 0.000 1.216 700 K HN 0.445 nan 8.250 nan 0.000 0.432 701 I N 3.478 123.758 120.570 -0.483 0.000 2.499 701 I HA 0.171 4.340 4.170 -0.001 0.000 0.288 701 I C -0.792 175.175 176.117 -0.249 0.000 1.048 701 I CA -0.677 60.281 61.300 -0.570 0.000 1.062 701 I CB 1.998 39.349 38.000 -1.081 0.000 1.238 701 I HN 0.759 nan 8.210 nan 0.000 0.426 702 D N 4.605 124.907 120.400 -0.164 0.000 2.697 702 D HA -0.225 4.414 4.640 -0.001 0.000 0.235 702 D C 0.234 176.518 176.300 -0.027 0.000 1.167 702 D CA 0.893 54.849 54.000 -0.072 0.000 0.656 702 D CB -1.183 39.590 40.800 -0.045 0.000 1.025 702 D HN 0.794 nan 8.370 nan 0.000 0.419 703 N N -2.229 116.456 118.700 -0.025 0.000 2.693 703 N HA -0.205 4.534 4.740 -0.001 0.000 0.249 703 N C -0.887 174.649 175.510 0.043 0.000 1.119 703 N CA 1.227 54.282 53.050 0.009 0.000 0.717 703 N CB -0.349 38.144 38.487 0.010 0.000 1.071 703 N HN 0.342 nan 8.380 nan 0.000 0.555 704 V N 0.886 120.844 119.914 0.072 0.000 2.448 704 V HA 0.430 4.549 4.120 -0.001 0.000 0.295 704 V C 0.524 176.766 176.094 0.247 0.000 1.025 704 V CA -0.764 61.625 62.300 0.149 0.000 0.859 704 V CB 1.804 33.751 31.823 0.208 0.000 0.988 704 V HN 0.089 nan 8.190 nan 0.000 0.431 705 L N 4.643 125.961 121.223 0.158 0.000 2.350 705 L HA 0.899 5.239 4.340 -0.001 0.000 0.275 705 L C 0.922 177.796 176.870 0.007 0.000 1.099 705 L CA 0.525 55.455 54.840 0.149 0.000 0.808 705 L CB 1.256 43.364 42.059 0.081 0.000 1.149 705 L HN 0.938 nan 8.230 nan 0.000 0.442 706 G N 1.513 110.281 108.800 -0.054 0.000 2.398 706 G HA2 0.205 4.164 3.960 -0.001 0.000 0.251 706 G HA3 0.205 4.164 3.960 -0.001 0.000 0.251 706 G C -1.832 172.790 174.900 -0.463 0.000 1.277 706 G CA -0.773 44.000 45.100 -0.545 0.000 0.927 706 G HN 0.153 nan 8.290 nan 0.000 0.477 707 F N 0.364 119.895 119.950 -0.697 0.000 2.469 707 F HA 0.884 5.411 4.527 -0.000 0.000 0.332 707 F C -0.438 174.958 175.800 -0.673 0.000 1.103 707 F CA -1.784 55.957 58.000 -0.432 0.000 0.979 707 F CB 1.520 40.429 39.000 -0.152 0.000 1.137 707 F HN 0.300 nan 8.300 nan 0.000 0.463 708 F N 1.179 121.314 119.950 0.308 0.000 2.576 708 F HA 0.638 5.164 4.527 -0.001 0.000 0.313 708 F C -0.093 175.937 175.800 0.384 0.000 1.078 708 F CA -0.992 57.179 58.000 0.286 0.000 0.921 708 F CB 2.232 41.340 39.000 0.179 0.000 1.232 708 F HN 0.356 nan 8.300 nan 0.000 0.459 709 R N 1.021 121.806 120.500 0.475 0.000 2.637 709 R HA 0.706 5.046 4.340 -0.001 0.000 0.291 709 R C -1.306 175.002 176.300 0.013 0.000 0.963 709 R CA -0.473 55.687 56.100 0.100 0.000 0.901 709 R CB 1.980 32.239 30.300 -0.070 0.000 1.160 709 R HN 0.711 nan 8.270 nan 0.000 0.457 710 S N 1.968 117.391 115.700 -0.461 0.000 2.552 710 S HA 0.232 4.701 4.470 -0.001 0.000 0.314 710 S C -0.408 173.961 174.600 -0.386 0.000 1.099 710 S CA -0.752 57.009 58.200 -0.732 0.000 1.070 710 S CB 1.295 63.473 63.200 -1.705 0.000 0.998 710 S HN 0.692 nan 8.310 nan 0.000 0.474 711 D N 2.820 123.096 120.400 -0.206 0.000 2.339 711 D HA 0.092 4.732 4.640 -0.001 0.000 0.217 711 D C -0.225 176.042 176.300 -0.056 0.000 1.050 711 D CA 0.348 54.315 54.000 -0.055 0.000 0.856 711 D CB 0.354 41.168 40.800 0.024 0.000 0.922 711 D HN 0.754 nan 8.370 nan 0.000 0.518 712 D N -0.768 119.552 120.400 -0.133 0.000 2.952 712 D HA 0.344 4.984 4.640 -0.001 0.000 0.373 712 D C 0.591 176.811 176.300 -0.133 0.000 1.360 712 D CA -0.808 53.135 54.000 -0.095 0.000 0.788 712 D CB 0.112 40.856 40.800 -0.093 0.000 1.192 712 D HN -0.066 nan 8.370 nan 0.000 0.462 713 A N -0.061 122.685 122.820 -0.124 0.000 2.832 713 A HA 0.118 4.438 4.320 -0.001 0.000 0.280 713 A C 1.724 179.279 177.584 -0.047 0.000 1.464 713 A CA 1.294 53.220 52.037 -0.186 0.000 0.804 713 A CB -1.983 16.744 19.000 -0.456 0.000 1.020 713 A HN 1.756 nan 8.150 nan 0.000 0.563 714 G N -2.080 106.565 108.800 -0.257 0.000 2.157 714 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.239 714 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.239 714 G C 0.707 175.527 174.900 -0.134 0.000 0.982 714 G CA 1.279 46.235 45.100 -0.240 0.000 0.650 714 G HN 0.900 nan 8.290 nan 0.000 0.527 715 K N 0.017 120.312 120.400 -0.174 0.000 2.062 715 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 715 K C 1.488 178.044 176.600 -0.073 0.000 1.051 715 K CA 1.637 57.879 56.287 -0.076 0.000 0.941 715 K CB -0.016 32.446 32.500 -0.065 0.000 0.719 715 K HN 0.667 nan 8.250 nan 0.000 0.440 716 T N -2.746 111.690 114.554 -0.197 0.000 2.906 716 T HA 0.503 4.853 4.350 -0.001 0.000 0.295 716 T C -1.353 173.165 174.700 -0.303 0.000 1.075 716 T CA -0.975 61.060 62.100 -0.107 0.000 1.005 716 T CB 1.266 70.117 68.868 -0.029 0.000 1.136 716 T HN 0.097 nan 8.240 nan 0.000 0.498 717 W N 0.981 122.299 121.300 0.030 0.000 2.915 717 W HA 0.645 5.304 4.660 -0.000 0.000 0.337 717 W C -0.667 175.915 176.519 0.106 0.000 1.102 717 W CA -0.903 56.477 57.345 0.058 0.000 1.224 717 W CB 2.162 31.627 29.460 0.007 0.000 1.416 717 W HN 0.758 nan 8.180 nan 0.000 0.503 718 V N 0.013 120.161 119.914 0.391 0.000 2.769 718 V HA 0.629 4.748 4.120 -0.001 0.000 0.312 718 V C -0.251 176.100 176.094 0.429 0.000 1.061 718 V CA -1.656 60.844 62.300 0.333 0.000 0.931 718 V CB 1.679 33.632 31.823 0.216 0.000 1.010 718 V HN 0.643 nan 8.190 nan 0.000 0.433 719 R N 2.350 123.058 120.500 0.347 0.000 2.298 719 R HA 0.484 4.823 4.340 -0.001 0.000 0.310 719 R C 0.738 177.033 176.300 -0.009 0.000 1.068 719 R CA 0.007 56.174 56.100 0.112 0.000 0.957 719 R CB 1.040 31.378 30.300 0.063 0.000 1.003 719 R HN 0.994 nan 8.270 nan 0.000 0.454 720 I N 0.825 121.318 120.570 -0.128 0.000 3.708 720 I HA 0.124 4.294 4.170 -0.001 0.000 0.302 720 I C 0.543 176.707 176.117 0.078 0.000 1.255 720 I CA -0.517 60.636 61.300 -0.244 0.000 1.362 720 I CB -0.090 37.498 38.000 -0.686 0.000 1.100 720 I HN 0.424 nan 8.210 nan 0.000 0.434 721 N N 2.704 121.384 118.700 -0.034 0.000 2.495 721 N HA 0.262 5.002 4.740 -0.001 0.000 0.294 721 N C -0.883 174.547 175.510 -0.133 0.000 1.276 721 N CA 0.024 52.966 53.050 -0.180 0.000 0.973 721 N CB 0.831 38.715 38.487 -1.005 0.000 1.143 721 N HN 0.426 nan 8.380 nan 0.000 0.589 722 D N -2.864 117.446 120.400 -0.150 0.000 2.812 722 D HA 0.300 4.940 4.640 -0.001 0.000 0.318 722 D C -0.347 175.889 176.300 -0.107 0.000 1.234 722 D CA -0.552 53.416 54.000 -0.053 0.000 0.989 722 D CB 0.161 41.017 40.800 0.094 0.000 1.442 722 D HN 0.239 nan 8.370 nan 0.000 0.537 723 D N -0.703 119.664 120.400 -0.056 0.000 2.269 723 D HA -0.049 4.591 4.640 -0.001 0.000 0.208 723 D C 0.833 177.073 176.300 -0.101 0.000 0.963 723 D CA 0.841 54.797 54.000 -0.073 0.000 0.864 723 D CB 0.140 40.915 40.800 -0.040 0.000 0.936 723 D HN 0.489 nan 8.370 nan 0.000 0.505 724 E N -0.544 119.585 120.200 -0.119 0.000 2.474 724 E HA -0.005 4.345 4.350 -0.001 0.000 0.194 724 E C -0.152 176.065 176.600 -0.638 0.000 1.041 724 E CA 0.202 56.431 56.400 -0.284 0.000 0.874 724 E CB 0.274 29.817 29.700 -0.262 0.000 0.914 724 E HN 0.357 nan 8.360 nan 0.000 0.498 725 H N -0.973 117.887 119.070 -0.349 0.000 2.348 725 H HA 0.251 4.806 4.556 -0.000 0.000 0.232 725 H C 0.738 175.612 175.328 -0.757 0.000 1.419 725 H CA -0.355 55.291 56.048 -0.670 0.000 1.416 725 H CB 1.190 30.590 29.762 -0.603 0.000 1.510 725 H HN 0.114 nan 8.280 nan 0.000 0.507 726 G N -0.244 108.225 108.800 -0.552 0.000 2.497 726 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.210 726 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.210 726 G C -0.112 174.775 174.900 -0.022 0.000 1.177 726 G CA 0.085 44.999 45.100 -0.309 0.000 0.822 726 G HN 0.618 nan 8.290 nan 0.000 0.550 727 Y N -0.407 119.967 120.300 0.123 0.000 4.907 727 Y HA -0.185 4.364 4.550 -0.000 0.000 0.246 727 Y C 1.877 177.663 175.900 -0.190 0.000 0.968 727 Y CA 0.838 58.956 58.100 0.030 0.000 1.961 727 Y CB -1.622 36.867 38.460 0.047 0.000 1.487 727 Y HN 1.231 nan 8.280 nan 0.000 0.575 728 G N -0.442 108.402 108.800 0.075 0.000 2.509 728 G HA2 0.087 4.046 3.960 -0.001 0.000 0.256 728 G HA3 0.087 4.046 3.960 -0.001 0.000 0.256 728 G C 0.165 175.013 174.900 -0.087 0.000 1.152 728 G CA 0.123 45.242 45.100 0.031 0.000 0.951 728 G HN 1.518 nan 8.290 nan 0.000 0.559 729 A N 0.186 122.730 122.820 -0.459 0.000 2.444 729 A HA 0.604 4.923 4.320 -0.001 0.000 0.273 729 A C 0.945 178.330 177.584 -0.331 0.000 1.136 729 A CA 0.885 52.579 52.037 -0.571 0.000 0.799 729 A CB 0.093 18.415 19.000 -1.130 0.000 1.081 729 A HN 2.266 nan 8.150 nan 0.000 0.509 730 V N 0.748 120.536 119.914 -0.210 0.000 2.727 730 V HA 0.333 4.453 4.120 -0.001 0.000 0.336 730 V C -0.380 175.634 176.094 -0.133 0.000 1.228 730 V CA -0.056 62.155 62.300 -0.148 0.000 1.270 730 V CB 0.116 31.895 31.823 -0.073 0.000 1.486 730 V HN 0.750 nan 8.190 nan 0.000 0.638 731 D N -0.753 119.540 120.400 -0.177 0.000 2.593 731 D HA 0.101 4.740 4.640 -0.001 0.000 0.241 731 D C 1.210 177.464 176.300 -0.076 0.000 1.257 731 D CA 0.650 54.578 54.000 -0.121 0.000 0.828 731 D CB 0.518 41.170 40.800 -0.247 0.000 1.049 731 D HN 0.533 nan 8.370 nan 0.000 0.490 732 T N -3.372 111.132 114.554 -0.083 0.000 3.056 732 T HA 0.569 4.919 4.350 -0.001 0.000 0.241 732 T C 0.799 175.479 174.700 -0.033 0.000 1.006 732 T CA 0.448 62.513 62.100 -0.059 0.000 1.115 732 T CB 0.438 69.261 68.868 -0.074 0.000 0.939 732 T HN 0.287 nan 8.240 nan 0.000 0.462 733 A N 0.216 123.012 122.820 -0.041 0.000 2.555 733 A HA 0.757 5.077 4.320 -0.001 0.000 0.297 733 A C -1.714 175.848 177.584 -0.036 0.000 1.060 733 A CA -0.796 51.228 52.037 -0.022 0.000 0.710 733 A CB 1.198 20.191 19.000 -0.012 0.000 1.282 733 A HN 0.533 nan 8.150 nan 0.000 0.399 734 I N 0.857 121.415 120.570 -0.019 0.000 2.802 734 I HA 0.819 4.989 4.170 -0.001 0.000 0.298 734 I C -0.772 175.348 176.117 0.005 0.000 1.176 734 I CA -0.101 61.184 61.300 -0.026 0.000 1.025 734 I CB 2.477 40.453 38.000 -0.039 0.000 1.243 734 I HN 0.789 nan 8.210 nan 0.000 0.424 735 T N 4.016 118.589 114.554 0.032 0.000 2.982 735 T HA 0.610 4.960 4.350 -0.001 0.000 0.321 735 T C -0.297 174.419 174.700 0.025 0.000 1.229 735 T CA -0.083 62.061 62.100 0.073 0.000 1.044 735 T CB 1.297 70.249 68.868 0.140 0.000 1.184 735 T HN 0.844 nan 8.240 nan 0.000 0.477 736 G N 1.407 110.207 108.800 -0.000 0.000 2.535 736 G HA2 0.440 4.400 3.960 -0.001 0.000 0.282 736 G HA3 0.440 4.400 3.960 -0.001 0.000 0.282 736 G C -0.826 174.137 174.900 0.105 0.000 1.350 736 G CA -0.223 44.796 45.100 -0.134 0.000 1.039 736 G HN 0.680 nan 8.290 nan 0.000 0.509 737 D N -0.542 119.897 120.400 0.064 0.000 2.344 737 D HA 0.302 4.942 4.640 -0.001 0.000 0.239 737 D C -1.504 174.878 176.300 0.137 0.000 1.064 737 D CA -1.997 52.101 54.000 0.164 0.000 0.829 737 D CB 2.345 43.217 40.800 0.120 0.000 1.129 737 D HN -0.018 nan 8.370 nan 0.000 0.506 738 P HA -0.026 nan 4.420 nan 0.000 0.230 738 P C 0.832 178.190 177.300 0.097 0.000 1.158 738 P CA 0.597 63.772 63.100 0.125 0.000 0.769 738 P CB 0.585 32.352 31.700 0.112 0.000 0.807 739 R N -1.024 119.526 120.500 0.084 0.000 2.335 739 R HA 0.232 4.572 4.340 -0.001 0.000 0.210 739 R C -0.077 176.265 176.300 0.070 0.000 0.892 739 R CA 0.174 56.314 56.100 0.066 0.000 1.048 739 R CB 0.898 31.225 30.300 0.045 0.000 1.067 739 R HN 0.006 nan 8.270 nan 0.000 0.524 740 V N 1.444 121.403 119.914 0.074 0.000 2.447 740 V HA 0.143 4.263 4.120 -0.001 0.000 0.292 740 V C -0.976 175.157 176.094 0.066 0.000 1.021 740 V CA -1.191 61.142 62.300 0.055 0.000 0.850 740 V CB 1.185 33.011 31.823 0.004 0.000 1.005 740 V HN 0.085 nan 8.190 nan 0.000 0.426 741 Y N 4.130 124.446 120.300 0.025 0.000 2.511 741 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 741 Y C 1.316 177.243 175.900 0.045 0.000 1.177 741 Y CA 1.325 59.457 58.100 0.054 0.000 1.422 741 Y CB 0.928 39.415 38.460 0.044 0.000 1.271 741 Y HN 0.978 nan 8.280 nan 0.000 0.550 742 G N 4.576 112.757 108.800 -1.031 0.000 2.284 742 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.247 742 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.247 742 G C 0.597 175.312 174.900 -0.308 0.000 1.012 742 G CA 0.177 44.803 45.100 -0.790 0.000 0.618 742 G HN 0.852 nan 8.290 nan 0.000 0.521 743 R N 0.359 120.657 120.500 -0.336 0.000 2.537 743 R HA 0.532 4.872 4.340 -0.001 0.000 0.280 743 R C -0.662 175.288 176.300 -0.583 0.000 1.058 743 R CA 0.353 56.218 56.100 -0.391 0.000 1.057 743 R CB 0.893 30.982 30.300 -0.351 0.000 0.973 743 R HN 0.426 nan 8.270 nan 0.000 0.438 744 V N 5.752 125.298 119.914 -0.613 0.000 2.760 744 V HA 0.430 4.550 4.120 -0.001 0.000 0.309 744 V C -1.758 174.049 176.094 -0.479 0.000 1.077 744 V CA -0.689 61.209 62.300 -0.671 0.000 0.910 744 V CB 1.858 33.277 31.823 -0.672 0.000 1.008 744 V HN 0.735 nan 8.190 nan 0.000 0.424 745 Y N 6.035 126.257 120.300 -0.130 0.000 2.352 745 Y HA 0.728 5.277 4.550 -0.001 0.000 0.339 745 Y C 0.138 175.973 175.900 -0.108 0.000 0.992 745 Y CA -0.803 57.258 58.100 -0.065 0.000 1.100 745 Y CB 1.695 40.103 38.460 -0.085 0.000 1.192 745 Y HN 0.424 nan 8.280 nan 0.000 0.458 746 I N 2.751 123.336 120.570 0.025 0.000 2.499 746 I HA 0.580 4.750 4.170 -0.001 0.000 0.288 746 I C -0.450 175.594 176.117 -0.122 0.000 1.048 746 I CA -1.133 60.084 61.300 -0.137 0.000 1.062 746 I CB 1.896 39.661 38.000 -0.392 0.000 1.238 746 I HN 0.717 nan 8.210 nan 0.000 0.426 747 A N 4.405 127.158 122.820 -0.111 0.000 2.362 747 A HA 0.613 4.933 4.320 -0.001 0.000 0.276 747 A C 0.323 177.829 177.584 -0.130 0.000 1.153 747 A CA -0.148 51.831 52.037 -0.097 0.000 0.813 747 A CB 0.123 19.080 19.000 -0.072 0.000 1.081 747 A HN 0.757 nan 8.150 nan 0.000 0.507 748 T N -0.267 114.217 114.554 -0.117 0.000 2.949 748 T HA 0.461 4.811 4.350 -0.001 0.000 0.287 748 T C -0.106 174.527 174.700 -0.112 0.000 1.034 748 T CA -0.866 61.156 62.100 -0.130 0.000 1.018 748 T CB 1.239 70.043 68.868 -0.107 0.000 1.135 748 T HN 0.405 nan 8.240 nan 0.000 0.532 749 N N -0.036 118.573 118.700 -0.150 0.000 3.112 749 N HA 0.408 5.148 4.740 -0.001 0.000 0.270 749 N C 0.806 176.360 175.510 0.073 0.000 1.385 749 N CA 0.454 53.457 53.050 -0.078 0.000 0.986 749 N CB -0.149 38.200 38.487 -0.229 0.000 1.261 749 N HN 1.163 nan 8.380 nan 0.000 0.495 750 G N 1.508 110.343 108.800 0.059 0.000 2.227 750 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.168 750 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.168 750 G C 0.591 175.547 174.900 0.094 0.000 1.006 750 G CA -0.465 44.696 45.100 0.102 0.000 0.684 750 G HN 0.375 nan 8.290 nan 0.000 0.489 751 R N 0.765 121.293 120.500 0.047 0.000 2.662 751 R HA 0.467 4.807 4.340 -0.001 0.000 0.396 751 R C 1.418 177.752 176.300 0.057 0.000 1.096 751 R CA 0.744 56.900 56.100 0.094 0.000 1.081 751 R CB 0.088 30.454 30.300 0.111 0.000 1.382 751 R HN 1.369 nan 8.270 nan 0.000 0.580 752 G N 1.484 110.308 108.800 0.041 0.000 2.564 752 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.273 752 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.273 752 G C -0.060 174.825 174.900 -0.025 0.000 1.242 752 G CA -0.204 44.907 45.100 0.019 0.000 0.951 752 G HN 0.256 nan 8.290 nan 0.000 0.564 753 I N 1.204 121.757 120.570 -0.028 0.000 2.321 753 I HA 0.505 4.674 4.170 -0.001 0.000 0.291 753 I C 0.785 176.889 176.117 -0.021 0.000 0.998 753 I CA -0.852 60.421 61.300 -0.046 0.000 1.227 753 I CB 1.469 39.414 38.000 -0.091 0.000 1.368 753 I HN 0.672 nan 8.210 nan 0.000 0.466 754 V N 5.020 124.899 119.914 -0.058 0.000 2.630 754 V HA 0.668 4.788 4.120 -0.001 0.000 0.305 754 V C -0.973 175.245 176.094 0.207 0.000 1.046 754 V CA -0.602 61.680 62.300 -0.029 0.000 0.934 754 V CB 1.452 32.996 31.823 -0.465 0.000 1.003 754 V HN 0.704 nan 8.190 nan 0.000 0.451 755 Y N 1.573 121.926 120.300 0.089 0.000 2.512 755 Y HA 0.980 5.530 4.550 -0.000 0.000 0.348 755 Y C -0.113 175.754 175.900 -0.055 0.000 0.990 755 Y CA -0.582 57.519 58.100 0.001 0.000 1.033 755 Y CB 1.953 40.341 38.460 -0.121 0.000 1.259 755 Y HN 1.035 nan 8.280 nan 0.000 0.461 756 G N 1.694 110.195 108.800 -0.498 0.000 2.533 756 G HA2 0.651 4.610 3.960 -0.001 0.000 0.304 756 G HA3 0.651 4.610 3.960 -0.001 0.000 0.304 756 G C -1.847 172.639 174.900 -0.690 0.000 1.263 756 G CA -1.044 43.380 45.100 -1.126 0.000 0.964 756 G HN 0.729 nan 8.290 nan 0.000 0.479 757 E N 0.392 120.075 120.200 -0.862 0.000 2.356 757 E HA 0.330 4.680 4.350 -0.001 0.000 0.275 757 E C -2.709 173.068 176.600 -1.371 0.000 0.904 757 E CA -1.861 54.009 56.400 -0.883 0.000 0.757 757 E CB 3.330 32.726 29.700 -0.507 0.000 1.232 757 E HN 0.184 nan 8.360 nan 0.000 0.442 758 P HA -0.056 nan 4.420 nan 0.000 0.262 758 P C -1.185 175.804 177.300 -0.520 0.000 1.182 758 P CA 0.393 62.926 63.100 -0.945 0.000 0.761 758 P CB 0.456 31.883 31.700 -0.455 0.000 0.795 759 A N 3.514 126.120 122.820 -0.357 0.000 2.302 759 A HA 0.524 4.844 4.320 -0.001 0.000 0.285 759 A C 0.465 177.979 177.584 -0.117 0.000 1.105 759 A CA -0.148 51.767 52.037 -0.204 0.000 0.816 759 A CB 0.221 19.142 19.000 -0.132 0.000 1.067 759 A HN 0.506 nan 8.150 nan 0.000 0.489 760 S N 0.000 115.648 115.700 -0.087 0.000 2.498 760 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 760 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 760 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 760 S HN 0.000 nan 8.310 nan 0.000 0.517