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 2epj_1_A DATA FIRST_RESID 9 DATA SEQUENCE GEKSRMLFER TKELFPGGVN SPVRAAVKPY PFYVKRGEGA YLYTVDGARI DATA SEQUENCE VDLVLAYGPL ILGHKHPRVL EAVEEALARG WLYGAPGEAE VLLAEKILGY DATA SEQUENCE VKRGGMIRFV NSGTEATMTA IRLARGYTGR DLILKFDGCY HGSHDAVLVA DATA SEQUENCE AGXXXXXXGV PTSAGVPEAV ARLTLVTPYN DVEALERVFA EYGDRIAGVI DATA SEQUENCE VEPVIANAGV IPPRREFLAA LQRLSRESGA LLILDEVVTG FRLGLEGAQG DATA SEQUENCE YFNIEGDIIV LGKIIGGGFP VGAVAGSREV MSLLTPQGKV FNAGTFNAHP DATA SEQUENCE ITMAAGLATL KALEEEPVYS VSREAAKALE EAASEVLDRT GLPYTINRVE DATA SEQUENCE SMMQLFIGVE EVSNAAQARK ADKKFYVKLH EEMLRRGVFI APSNLEAVFT DATA SEQUENCE GLPHQGEALE IAVEGLRSSL KTVLGS 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 9 G C 0.000 174.994 174.900 0.157 0.000 0.946 9 G CA 0.000 45.168 45.100 0.113 0.000 0.502 10 E N 0.916 121.169 120.200 0.088 0.000 2.085 10 E HA -0.152 4.197 4.350 -0.002 0.000 0.194 10 E C 2.135 178.765 176.600 0.051 0.000 0.994 10 E CA 1.401 57.837 56.400 0.060 0.000 0.801 10 E CB 0.008 29.726 29.700 0.031 0.000 0.743 10 E HN 0.493 nan 8.360 nan 0.000 0.453 11 K N -0.035 120.396 120.400 0.052 0.000 2.057 11 K HA -0.051 4.268 4.320 -0.002 0.000 0.206 11 K C 2.409 179.027 176.600 0.029 0.000 1.050 11 K CA 1.295 57.600 56.287 0.030 0.000 0.935 11 K CB -0.068 32.453 32.500 0.035 0.000 0.715 11 K HN -0.026 nan 8.250 nan 0.000 0.439 12 S N 0.813 116.593 115.700 0.134 0.000 2.383 12 S HA -0.110 4.359 4.470 -0.002 0.000 0.227 12 S C 1.908 176.628 174.600 0.200 0.000 1.026 12 S CA 0.896 59.237 58.200 0.236 0.000 0.981 12 S CB -0.096 63.383 63.200 0.466 0.000 0.818 12 S HN 0.285 nan 8.310 nan 0.000 0.472 13 R N 0.860 121.455 120.500 0.159 0.000 2.081 13 R HA -0.035 4.304 4.340 -0.002 0.000 0.235 13 R C 2.258 178.545 176.300 -0.020 0.000 1.131 13 R CA 1.457 57.518 56.100 -0.066 0.000 0.960 13 R CB -0.280 29.965 30.300 -0.091 0.000 0.856 13 R HN 0.382 nan 8.270 nan 0.000 0.436 14 M N 0.421 119.999 119.600 -0.036 0.000 2.086 14 M HA -0.186 4.293 4.480 -0.002 0.000 0.261 14 M C 2.304 178.528 176.300 -0.126 0.000 1.067 14 M CA 1.623 56.884 55.300 -0.065 0.000 1.116 14 M CB -0.263 32.300 32.600 -0.060 0.000 1.348 14 M HN 0.202 nan 8.290 nan 0.000 0.407 15 L N -0.988 120.087 121.223 -0.246 0.000 2.083 15 L HA -0.200 4.139 4.340 -0.002 0.000 0.209 15 L C 2.482 179.148 176.870 -0.340 0.000 1.083 15 L CA 1.020 55.573 54.840 -0.479 0.000 0.752 15 L CB -0.630 40.742 42.059 -1.145 0.000 0.899 15 L HN 0.198 nan 8.230 nan 0.000 0.433 16 F N 1.104 120.878 119.950 -0.293 0.000 2.126 16 F HA -0.223 4.302 4.527 -0.002 0.000 0.299 16 F C 2.538 178.298 175.800 -0.067 0.000 1.096 16 F CA 1.587 59.567 58.000 -0.032 0.000 1.255 16 F CB -0.069 38.897 39.000 -0.057 0.000 0.997 16 F HN 0.032 nan 8.300 nan 0.000 0.479 17 E N 0.415 120.553 120.200 -0.103 0.000 2.072 17 E HA -0.170 4.179 4.350 -0.002 0.000 0.191 17 E C 2.389 178.866 176.600 -0.206 0.000 0.985 17 E CA 1.137 57.431 56.400 -0.176 0.000 0.801 17 E CB -0.440 29.213 29.700 -0.078 0.000 0.750 17 E HN 0.480 nan 8.360 nan 0.000 0.452 18 R N 0.241 120.634 120.500 -0.178 0.000 2.092 18 R HA -0.071 4.268 4.340 -0.002 0.000 0.231 18 R C 2.443 178.601 176.300 -0.237 0.000 1.119 18 R CA 1.789 57.781 56.100 -0.181 0.000 0.970 18 R CB -0.392 29.813 30.300 -0.158 0.000 0.864 18 R HN 0.251 nan 8.270 nan 0.000 0.440 19 T N -1.562 112.853 114.554 -0.232 0.000 3.067 19 T HA 0.045 4.394 4.350 -0.002 0.000 0.261 19 T C 1.523 176.060 174.700 -0.272 0.000 1.110 19 T CA 0.433 62.361 62.100 -0.286 0.000 1.113 19 T CB 0.071 68.957 68.868 0.030 0.000 0.917 19 T HN 0.114 nan 8.240 nan 0.000 0.499 20 K N 1.335 121.555 120.400 -0.301 0.000 2.113 20 K HA -0.115 4.204 4.320 -0.002 0.000 0.208 20 K C 2.065 178.555 176.600 -0.183 0.000 1.047 20 K CA 1.857 57.977 56.287 -0.278 0.000 0.928 20 K CB -0.083 32.221 32.500 -0.327 0.000 0.716 20 K HN 0.552 nan 8.250 nan 0.000 0.446 21 E N -0.183 119.902 120.200 -0.192 0.000 2.481 21 E HA 0.066 4.415 4.350 -0.002 0.000 0.198 21 E C 1.413 177.905 176.600 -0.179 0.000 1.027 21 E CA -0.050 56.261 56.400 -0.149 0.000 0.900 21 E CB 0.417 30.041 29.700 -0.126 0.000 0.993 21 E HN 0.214 nan 8.360 nan 0.000 0.482 22 L N -0.292 120.745 121.223 -0.310 0.000 2.316 22 L HA 0.182 4.521 4.340 -0.002 0.000 0.207 22 L C 0.063 176.730 176.870 -0.339 0.000 1.070 22 L CA 0.400 54.963 54.840 -0.462 0.000 0.820 22 L CB 0.334 41.854 42.059 -0.899 0.000 0.992 22 L HN 0.007 nan 8.230 nan 0.000 0.466 23 F N -0.539 119.399 119.950 -0.020 0.000 2.546 23 F HA 0.481 5.007 4.527 -0.002 0.000 0.320 23 F C -2.324 173.465 175.800 -0.018 0.000 1.076 23 F CA -3.806 54.187 58.000 -0.011 0.000 0.928 23 F CB 0.009 39.009 39.000 -0.000 0.000 1.189 23 F HN -0.366 nan 8.300 nan 0.000 0.465 24 P HA 0.229 nan 4.420 nan 0.000 0.267 24 P C 0.671 178.024 177.300 0.089 0.000 1.209 24 P CA 0.770 63.927 63.100 0.095 0.000 0.763 24 P CB 0.559 32.301 31.700 0.070 0.000 0.816 25 G N 3.279 112.115 108.800 0.060 0.000 2.168 25 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.263 25 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.263 25 G C 0.954 175.901 174.900 0.079 0.000 0.977 25 G CA 0.523 45.657 45.100 0.058 0.000 0.659 25 G HN 1.032 nan 8.290 nan 0.000 0.533 26 G N -2.599 106.263 108.800 0.102 0.000 2.168 26 G HA2 0.099 4.058 3.960 -0.002 0.000 0.263 26 G HA3 0.099 4.058 3.960 -0.002 0.000 0.263 26 G C 0.928 176.006 174.900 0.296 0.000 0.977 26 G CA 1.790 46.974 45.100 0.141 0.000 0.659 26 G HN 2.426 nan 8.290 nan 0.000 0.533 27 V N -4.675 115.360 119.914 0.202 0.000 3.160 27 V HA 0.751 4.870 4.120 -0.002 0.000 0.310 27 V C 0.602 176.600 176.094 -0.160 0.000 1.181 27 V CA -0.690 61.634 62.300 0.040 0.000 1.047 27 V CB 1.787 33.611 31.823 0.003 0.000 1.068 27 V HN -0.081 nan 8.190 nan 0.000 0.441 28 N N 0.567 119.075 118.700 -0.320 0.000 2.280 28 N HA 0.220 4.959 4.740 -0.002 0.000 0.192 28 N C 0.081 175.485 175.510 -0.176 0.000 1.109 28 N CA 0.585 53.430 53.050 -0.341 0.000 0.855 28 N CB 1.071 39.279 38.487 -0.465 0.000 0.974 28 N HN 0.734 nan 8.380 nan 0.000 0.482 29 S N -0.348 115.273 115.700 -0.131 0.000 2.592 29 S HA 0.313 4.782 4.470 -0.002 0.000 0.275 29 S C -2.072 172.470 174.600 -0.097 0.000 1.169 29 S CA -1.035 57.102 58.200 -0.105 0.000 0.958 29 S CB 1.678 64.811 63.200 -0.111 0.000 1.095 29 S HN -0.210 nan 8.310 nan 0.000 0.471 30 P HA -0.189 nan 4.420 nan 0.000 0.218 30 P C 1.533 178.778 177.300 -0.091 0.000 1.165 30 P CA 1.199 64.251 63.100 -0.080 0.000 0.922 30 P CB 0.072 31.716 31.700 -0.092 0.000 0.794 31 V N -0.274 119.548 119.914 -0.154 0.000 2.568 31 V HA -0.295 3.824 4.120 -0.002 0.000 0.253 31 V C 2.242 178.302 176.094 -0.056 0.000 1.072 31 V CA 1.872 64.081 62.300 -0.152 0.000 1.084 31 V CB -0.788 30.837 31.823 -0.329 0.000 0.676 31 V HN 0.070 nan 8.190 nan 0.000 0.469 32 R N 0.135 120.606 120.500 -0.049 0.000 2.152 32 R HA -0.038 4.301 4.340 -0.002 0.000 0.232 32 R C 2.268 178.560 176.300 -0.012 0.000 1.117 32 R CA 1.291 57.378 56.100 -0.021 0.000 0.981 32 R CB -0.516 29.747 30.300 -0.063 0.000 0.870 32 R HN 0.591 nan 8.270 nan 0.000 0.451 33 A N 0.918 123.747 122.820 0.015 0.000 2.119 33 A HA 0.081 4.400 4.320 -0.002 0.000 0.217 33 A C 2.109 179.743 177.584 0.082 0.000 1.153 33 A CA 1.147 53.230 52.037 0.076 0.000 0.692 33 A CB -0.170 18.880 19.000 0.084 0.000 0.799 33 A HN 0.340 nan 8.150 nan 0.000 0.458 34 A N -0.473 122.371 122.820 0.040 0.000 2.208 34 A HA 0.384 4.703 4.320 -0.002 0.000 0.209 34 A C 0.851 178.466 177.584 0.052 0.000 1.161 34 A CA 0.091 52.150 52.037 0.037 0.000 0.782 34 A CB -0.465 18.531 19.000 -0.006 0.000 0.816 34 A HN 0.218 nan 8.150 nan 0.000 0.477 35 V N 2.216 122.175 119.914 0.075 0.000 2.599 35 V HA 0.052 4.171 4.120 -0.002 0.000 0.300 35 V C 0.124 176.351 176.094 0.222 0.000 1.034 35 V CA 0.291 62.716 62.300 0.209 0.000 1.115 35 V CB 0.426 32.290 31.823 0.068 0.000 0.934 35 V HN 0.326 nan 8.190 nan 0.000 0.485 36 K N 7.293 127.922 120.400 0.382 0.000 2.156 36 K HA 0.415 4.734 4.320 -0.002 0.000 0.254 36 K C -1.508 175.067 176.600 -0.042 0.000 0.950 36 K CA -2.242 54.124 56.287 0.132 0.000 0.849 36 K CB 1.496 34.089 32.500 0.154 0.000 1.100 36 K HN 0.298 nan 8.250 nan 0.000 0.434 37 P HA -0.098 nan 4.420 nan 0.000 0.221 37 P C -0.363 176.955 177.300 0.029 0.000 1.150 37 P CA 1.223 64.303 63.100 -0.033 0.000 0.800 37 P CB 0.117 31.807 31.700 -0.017 0.000 0.787 38 Y N -4.246 115.999 120.300 -0.093 0.000 2.609 38 Y HA 0.730 5.279 4.550 -0.002 0.000 0.336 38 Y C -3.257 172.585 175.900 -0.097 0.000 1.129 38 Y CA -3.762 54.209 58.100 -0.216 0.000 1.040 38 Y CB -0.492 37.591 38.460 -0.628 0.000 1.310 38 Y HN -0.378 nan 8.280 nan 0.000 0.460 39 P HA 0.094 nan 4.420 nan 0.000 0.264 39 P C -0.816 176.510 177.300 0.044 0.000 1.193 39 P CA 0.335 63.410 63.100 -0.041 0.000 0.763 39 P CB -0.048 31.659 31.700 0.012 0.000 0.810 40 F N 2.001 121.926 119.950 -0.040 0.000 2.377 40 F HA 0.557 5.083 4.527 -0.002 0.000 0.328 40 F C -0.439 175.381 175.800 0.032 0.000 1.094 40 F CA -1.206 56.808 58.000 0.023 0.000 1.093 40 F CB 0.182 39.099 39.000 -0.139 0.000 1.214 40 F HN 0.228 nan 8.300 nan 0.000 0.518 41 Y N 1.223 121.683 120.300 0.267 0.000 2.361 41 Y HA 0.558 5.107 4.550 -0.001 0.000 0.332 41 Y C -0.195 175.847 175.900 0.237 0.000 1.101 41 Y CA -1.352 56.859 58.100 0.186 0.000 1.137 41 Y CB 1.756 40.309 38.460 0.153 0.000 1.207 41 Y HN 0.500 nan 8.280 nan 0.000 0.463 42 V N 4.072 124.135 119.914 0.248 0.000 2.439 42 V HA 0.194 4.313 4.120 -0.002 0.000 0.282 42 V C 0.691 176.874 176.094 0.149 0.000 1.039 42 V CA -0.725 61.691 62.300 0.193 0.000 0.913 42 V CB 1.574 33.479 31.823 0.136 0.000 0.983 42 V HN 0.740 nan 8.190 nan 0.000 0.460 43 K N 4.802 125.277 120.400 0.126 0.000 2.099 43 K HA 0.178 4.497 4.320 -0.002 0.000 0.203 43 K C 0.754 177.391 176.600 0.061 0.000 1.047 43 K CA 1.005 57.345 56.287 0.090 0.000 0.963 43 K CB 0.270 32.814 32.500 0.074 0.000 0.759 43 K HN 0.812 nan 8.250 nan 0.000 0.451 44 R N -2.396 118.150 120.500 0.077 0.000 2.741 44 R HA 0.561 4.900 4.340 -0.002 0.000 0.274 44 R C -1.111 175.238 176.300 0.081 0.000 1.029 44 R CA -0.801 55.328 56.100 0.049 0.000 0.880 44 R CB 0.655 30.949 30.300 -0.010 0.000 1.264 44 R HN 0.090 nan 8.270 nan 0.000 0.465 45 G N -0.002 108.803 108.800 0.007 0.000 2.682 45 G HA2 0.540 4.499 3.960 -0.002 0.000 0.300 45 G HA3 0.540 4.499 3.960 -0.002 0.000 0.300 45 G C -1.743 173.186 174.900 0.048 0.000 1.391 45 G CA -0.502 44.494 45.100 -0.173 0.000 0.990 45 G HN 0.623 nan 8.290 nan 0.000 0.501 46 E N 1.017 121.333 120.200 0.193 0.000 2.343 46 E HA 0.490 4.839 4.350 -0.002 0.000 0.286 46 E C 0.640 177.422 176.600 0.304 0.000 0.915 46 E CA 0.197 56.752 56.400 0.258 0.000 0.784 46 E CB 1.426 31.245 29.700 0.198 0.000 1.251 46 E HN 1.623 nan 8.360 nan 0.000 0.407 47 G N 2.911 111.844 108.800 0.222 0.000 2.591 47 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.298 47 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.298 47 G C 0.776 175.715 174.900 0.066 0.000 1.195 47 G CA 0.446 45.620 45.100 0.123 0.000 0.989 47 G HN 1.034 nan 8.290 nan 0.000 0.551 48 A N -0.604 122.127 122.820 -0.149 0.000 2.251 48 A HA 0.610 4.929 4.320 -0.002 0.000 0.209 48 A C 0.382 177.757 177.584 -0.348 0.000 1.187 48 A CA 1.017 52.862 52.037 -0.320 0.000 0.823 48 A CB -0.126 18.587 19.000 -0.478 0.000 0.846 48 A HN 0.763 nan 8.150 nan 0.000 0.486 49 Y N -1.403 118.946 120.300 0.082 0.000 2.509 49 Y HA 0.665 5.214 4.550 -0.001 0.000 0.341 49 Y C -0.060 175.651 175.900 -0.314 0.000 1.038 49 Y CA -1.075 56.935 58.100 -0.149 0.000 1.089 49 Y CB 1.284 39.517 38.460 -0.378 0.000 1.241 49 Y HN -0.036 nan 8.280 nan 0.000 0.468 50 L N 2.274 123.354 121.223 -0.238 0.000 2.334 50 L HA 0.527 4.866 4.340 -0.002 0.000 0.273 50 L C -1.459 175.126 176.870 -0.473 0.000 1.013 50 L CA -0.994 53.674 54.840 -0.286 0.000 0.816 50 L CB 1.527 43.486 42.059 -0.167 0.000 1.278 50 L HN 0.590 nan 8.230 nan 0.000 0.431 51 Y N -0.151 120.075 120.300 -0.123 0.000 2.338 51 Y HA 0.291 4.840 4.550 -0.001 0.000 0.333 51 Y C 0.650 176.493 175.900 -0.095 0.000 0.968 51 Y CA -0.974 57.056 58.100 -0.116 0.000 1.123 51 Y CB 1.976 40.383 38.460 -0.088 0.000 1.165 51 Y HN 0.556 nan 8.280 nan 0.000 0.452 52 T N -1.862 112.672 114.554 -0.033 0.000 2.813 52 T HA 0.154 4.503 4.350 -0.002 0.000 0.297 52 T C 1.365 176.116 174.700 0.084 0.000 1.036 52 T CA -0.185 61.922 62.100 0.011 0.000 1.044 52 T CB 0.974 69.793 68.868 -0.083 0.000 0.993 52 T HN 0.604 nan 8.240 nan 0.000 0.535 53 V N -1.263 118.731 119.914 0.134 0.000 2.913 53 V HA -0.033 4.086 4.120 -0.002 0.000 0.260 53 V C 1.602 177.739 176.094 0.070 0.000 1.098 53 V CA 1.538 63.905 62.300 0.111 0.000 1.121 53 V CB -0.859 31.049 31.823 0.141 0.000 0.714 53 V HN 0.845 nan 8.190 nan 0.000 0.487 54 D N 0.825 121.262 120.400 0.061 0.000 2.349 54 D HA 0.229 4.868 4.640 -0.002 0.000 0.215 54 D C 1.783 178.092 176.300 0.016 0.000 1.016 54 D CA 1.165 55.186 54.000 0.034 0.000 0.870 54 D CB 0.835 41.655 40.800 0.033 0.000 0.917 54 D HN 0.749 nan 8.370 nan 0.000 0.524 55 G N 0.757 109.570 108.800 0.023 0.000 2.163 55 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.213 55 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.213 55 G C 0.397 175.312 174.900 0.024 0.000 0.991 55 G CA 0.028 45.145 45.100 0.028 0.000 0.653 55 G HN 0.509 nan 8.290 nan 0.000 0.518 56 A N 0.345 123.146 122.820 -0.031 0.000 2.328 56 A HA 0.756 5.075 4.320 -0.002 0.000 0.284 56 A C 0.602 178.081 177.584 -0.175 0.000 1.160 56 A CA 0.042 52.020 52.037 -0.100 0.000 0.818 56 A CB 0.437 19.344 19.000 -0.155 0.000 1.087 56 A HN 0.637 nan 8.150 nan 0.000 0.504 57 R N 2.706 123.071 120.500 -0.225 0.000 2.308 57 R HA 0.465 4.804 4.340 -0.002 0.000 0.305 57 R C -1.106 174.970 176.300 -0.375 0.000 1.053 57 R CA -0.267 55.532 56.100 -0.502 0.000 0.957 57 R CB 0.319 30.315 30.300 -0.507 0.000 1.022 57 R HN 0.590 nan 8.270 nan 0.000 0.461 58 I N 5.089 125.442 120.570 -0.362 0.000 2.533 58 I HA 0.195 4.364 4.170 -0.002 0.000 0.290 58 I C -0.106 176.039 176.117 0.047 0.000 1.056 58 I CA -0.950 60.243 61.300 -0.179 0.000 1.057 58 I CB 1.807 39.604 38.000 -0.338 0.000 1.240 58 I HN 0.371 nan 8.210 nan 0.000 0.423 59 V N 4.771 124.758 119.914 0.122 0.000 2.521 59 V HA 0.031 4.150 4.120 -0.002 0.000 0.286 59 V C 0.267 176.421 176.094 0.099 0.000 1.034 59 V CA 0.026 62.373 62.300 0.079 0.000 1.045 59 V CB 0.817 32.655 31.823 0.025 0.000 0.974 59 V HN 0.639 nan 8.190 nan 0.000 0.480 60 D N 4.883 125.369 120.400 0.143 0.000 2.396 60 D HA 0.292 4.931 4.640 -0.002 0.000 0.225 60 D C 0.301 176.731 176.300 0.217 0.000 1.121 60 D CA -0.131 54.028 54.000 0.265 0.000 0.853 60 D CB 1.080 42.094 40.800 0.358 0.000 1.043 60 D HN 0.456 nan 8.370 nan 0.000 0.500 61 L N 3.441 124.697 121.223 0.055 0.000 2.818 61 L HA 0.165 4.504 4.340 -0.002 0.000 0.243 61 L C 1.193 178.016 176.870 -0.078 0.000 1.185 61 L CA -0.172 54.637 54.840 -0.051 0.000 0.988 61 L CB 0.709 42.673 42.059 -0.158 0.000 1.292 61 L HN 0.285 nan 8.230 nan 0.000 0.519 62 V N -0.962 118.882 119.914 -0.116 0.000 3.048 62 V HA 0.084 4.203 4.120 -0.002 0.000 0.241 62 V C 1.457 177.484 176.094 -0.111 0.000 1.129 62 V CA -0.024 62.109 62.300 -0.278 0.000 1.128 62 V CB 0.333 31.732 31.823 -0.707 0.000 0.849 62 V HN 0.365 nan 8.190 nan 0.000 0.475 63 L N 0.835 122.042 121.223 -0.026 0.000 3.739 63 L HA -0.307 4.032 4.340 -0.002 0.000 0.442 63 L C 0.922 177.695 176.870 -0.162 0.000 1.241 63 L CA 0.166 54.947 54.840 -0.098 0.000 0.819 63 L CB -2.107 39.891 42.059 -0.101 0.000 1.679 63 L HN 0.570 nan 8.230 nan 0.000 0.889 64 A N -1.253 121.500 122.820 -0.112 0.000 2.816 64 A HA -0.262 4.057 4.320 -0.002 0.000 0.270 64 A C 0.632 178.233 177.584 0.030 0.000 1.413 64 A CA 1.326 53.345 52.037 -0.030 0.000 0.866 64 A CB -2.128 16.865 19.000 -0.011 0.000 1.032 64 A HN 1.407 nan 8.150 nan 0.000 0.642 65 Y N -4.194 116.105 120.300 -0.001 0.000 3.892 65 Y HA -0.042 4.507 4.550 -0.002 0.000 0.231 65 Y C 1.974 177.616 175.900 -0.430 0.000 1.266 65 Y CA 1.885 59.992 58.100 0.011 0.000 1.856 65 Y CB -1.591 36.910 38.460 0.068 0.000 1.578 65 Y HN 2.225 nan 8.280 nan 0.000 0.669 66 G N -3.176 105.149 108.800 -0.792 0.000 2.612 66 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.200 66 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.200 66 G C -0.850 173.772 174.900 -0.463 0.000 1.053 66 G CA -0.014 44.471 45.100 -1.025 0.000 0.707 66 G HN 0.281 nan 8.290 nan 0.000 0.497 67 P HA 0.120 nan 4.420 nan 0.000 0.218 67 P C 1.168 178.362 177.300 -0.176 0.000 1.148 67 P CA 0.721 63.722 63.100 -0.164 0.000 0.822 67 P CB -0.078 31.556 31.700 -0.111 0.000 0.784 68 L N -0.159 120.932 121.223 -0.219 0.000 2.727 68 L HA 0.198 4.537 4.340 -0.002 0.000 0.237 68 L C 1.624 178.362 176.870 -0.219 0.000 1.370 68 L CA -0.117 54.581 54.840 -0.237 0.000 1.248 68 L CB -0.624 41.224 42.059 -0.352 0.000 1.556 68 L HN -0.025 nan 8.230 nan 0.000 0.420 69 I N 0.173 120.636 120.570 -0.179 0.000 2.756 69 I HA -0.202 3.967 4.170 -0.002 0.000 0.262 69 I C 1.660 177.671 176.117 -0.176 0.000 1.225 69 I CA 1.206 62.414 61.300 -0.153 0.000 1.472 69 I CB 0.321 38.250 38.000 -0.118 0.000 1.094 69 I HN 0.513 nan 8.210 nan 0.000 0.454 70 L N 0.591 121.707 121.223 -0.179 0.000 2.607 70 L HA 0.347 4.686 4.340 -0.002 0.000 0.228 70 L C 1.043 177.872 176.870 -0.070 0.000 1.123 70 L CA 0.267 55.022 54.840 -0.142 0.000 0.890 70 L CB -0.722 41.192 42.059 -0.242 0.000 1.103 70 L HN 0.437 nan 8.230 nan 0.000 0.468 71 G N -0.222 108.474 108.800 -0.175 0.000 2.698 71 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.225 71 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.225 71 G C -0.559 174.232 174.900 -0.183 0.000 1.345 71 G CA -0.820 44.160 45.100 -0.200 0.000 0.871 71 G HN 0.209 nan 8.290 nan 0.000 0.540 72 H N 0.777 119.844 119.070 -0.006 0.000 2.548 72 H HA 0.322 4.877 4.556 -0.002 0.000 0.331 72 H C 1.173 176.531 175.328 0.050 0.000 1.093 72 H CA 0.513 56.578 56.048 0.028 0.000 1.367 72 H CB 1.191 30.988 29.762 0.059 0.000 1.455 72 H HN 0.810 nan 8.280 nan 0.000 0.519 73 K N 2.181 122.682 120.400 0.168 0.000 3.311 73 K HA -0.255 4.064 4.320 -0.002 0.000 0.270 73 K C -0.127 176.539 176.600 0.110 0.000 0.927 73 K CA 0.160 56.523 56.287 0.127 0.000 0.706 73 K CB -1.068 31.497 32.500 0.108 0.000 1.418 73 K HN 0.649 nan 8.250 nan 0.000 0.459 74 H N 0.327 119.411 119.070 0.025 0.000 3.070 74 H HA -0.016 4.539 4.556 -0.002 0.000 0.313 74 H C -1.734 173.604 175.328 0.017 0.000 0.997 74 H CA -0.763 55.289 56.048 0.006 0.000 1.438 74 H CB 1.090 30.839 29.762 -0.021 0.000 1.455 74 H HN 0.152 nan 8.280 nan 0.000 0.575 75 P HA -0.212 nan 4.420 nan 0.000 0.216 75 P C 1.694 179.015 177.300 0.036 0.000 1.157 75 P CA 1.692 64.728 63.100 -0.107 0.000 0.880 75 P CB 0.049 31.635 31.700 -0.189 0.000 0.791 76 R N -0.116 120.482 120.500 0.164 0.000 2.073 76 R HA -0.102 4.237 4.340 -0.002 0.000 0.234 76 R C 1.860 178.262 176.300 0.171 0.000 1.134 76 R CA 1.642 57.867 56.100 0.209 0.000 0.952 76 R CB -0.800 29.675 30.300 0.292 0.000 0.850 76 R HN 0.039 nan 8.270 nan 0.000 0.433 77 V N 1.571 121.627 119.914 0.236 0.000 2.427 77 V HA -0.223 3.896 4.120 -0.002 0.000 0.248 77 V C 2.331 178.490 176.094 0.108 0.000 1.051 77 V CA 1.371 63.743 62.300 0.120 0.000 1.048 77 V CB -0.569 31.316 31.823 0.103 0.000 0.666 77 V HN 0.329 nan 8.190 nan 0.000 0.456 78 L N 0.769 122.064 121.223 0.119 0.000 2.012 78 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 78 L C 2.447 179.356 176.870 0.065 0.000 1.073 78 L CA 2.426 57.321 54.840 0.092 0.000 0.748 78 L CB -0.762 41.340 42.059 0.072 0.000 0.891 78 L HN 0.387 nan 8.230 nan 0.000 0.431 79 E N -0.007 120.227 120.200 0.056 0.000 2.077 79 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 79 E C 2.082 178.703 176.600 0.035 0.000 0.989 79 E CA 1.674 58.099 56.400 0.041 0.000 0.800 79 E CB -0.488 29.234 29.700 0.037 0.000 0.746 79 E HN 0.561 nan 8.360 nan 0.000 0.452 80 A N -0.020 122.821 122.820 0.035 0.000 1.933 80 A HA -0.122 4.197 4.320 -0.002 0.000 0.218 80 A C 2.508 180.092 177.584 0.000 0.000 1.175 80 A CA 1.644 53.691 52.037 0.016 0.000 0.628 80 A CB -0.669 18.336 19.000 0.008 0.000 0.814 80 A HN 0.204 nan 8.150 nan 0.000 0.444 81 V N 0.190 120.105 119.914 0.001 0.000 2.453 81 V HA -0.174 3.945 4.120 -0.002 0.000 0.247 81 V C 2.490 178.587 176.094 0.006 0.000 1.048 81 V CA 1.879 64.160 62.300 -0.032 0.000 1.049 81 V CB -0.652 31.164 31.823 -0.012 0.000 0.672 81 V HN 0.513 nan 8.190 nan 0.000 0.457 82 E N 0.239 120.458 120.200 0.032 0.000 2.077 82 E HA -0.234 4.115 4.350 -0.002 0.000 0.193 82 E C 2.203 178.832 176.600 0.048 0.000 0.989 82 E CA 1.332 57.758 56.400 0.044 0.000 0.800 82 E CB -0.133 29.592 29.700 0.042 0.000 0.746 82 E HN 0.700 nan 8.360 nan 0.000 0.452 83 E N 0.621 120.843 120.200 0.037 0.000 2.072 83 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 83 E C 2.026 178.655 176.600 0.047 0.000 0.985 83 E CA 0.945 57.368 56.400 0.038 0.000 0.801 83 E CB -0.075 29.642 29.700 0.028 0.000 0.750 83 E HN 0.190 nan 8.360 nan 0.000 0.452 84 A N 1.009 123.850 122.820 0.035 0.000 1.930 84 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 84 A C 2.153 179.794 177.584 0.095 0.000 1.175 84 A CA 0.904 52.967 52.037 0.043 0.000 0.627 84 A CB -0.534 18.457 19.000 -0.014 0.000 0.815 84 A HN 0.138 nan 8.150 nan 0.000 0.443 85 L N -0.790 120.500 121.223 0.111 0.000 2.083 85 L HA -0.191 4.148 4.340 -0.002 0.000 0.209 85 L C 3.004 180.017 176.870 0.240 0.000 1.083 85 L CA 0.978 55.955 54.840 0.227 0.000 0.752 85 L CB -0.441 41.719 42.059 0.169 0.000 0.899 85 L HN 0.444 nan 8.230 nan 0.000 0.433 86 A N -0.116 122.791 122.820 0.145 0.000 2.070 86 A HA -0.147 4.172 4.320 -0.002 0.000 0.220 86 A C 2.146 179.783 177.584 0.089 0.000 1.159 86 A CA 1.105 53.208 52.037 0.111 0.000 0.656 86 A CB -0.383 18.662 19.000 0.074 0.000 0.800 86 A HN 0.375 nan 8.150 nan 0.000 0.453 87 R N -0.715 119.847 120.500 0.103 0.000 2.334 87 R HA 0.322 4.661 4.340 -0.002 0.000 0.220 87 R C 0.637 177.027 176.300 0.149 0.000 0.917 87 R CA 0.411 56.574 56.100 0.105 0.000 1.073 87 R CB -0.169 30.207 30.300 0.127 0.000 1.056 87 R HN 0.590 nan 8.270 nan 0.000 0.506 88 G N 0.985 109.830 108.800 0.074 0.000 2.705 88 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.686 88 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.686 88 G C -0.313 174.527 174.900 -0.099 0.000 1.285 88 G CA -0.303 44.718 45.100 -0.132 0.000 0.800 88 G HN 0.515 nan 8.290 nan 0.000 0.611 89 W N 0.304 121.522 121.300 -0.136 0.000 3.008 89 W HA 0.738 5.397 4.660 -0.002 0.000 0.355 89 W C 0.003 176.173 176.519 -0.582 0.000 1.095 89 W CA -0.634 56.538 57.345 -0.287 0.000 1.738 89 W CB 0.390 29.819 29.460 -0.052 0.000 1.091 89 W HN 0.856 nan 8.180 nan 0.000 0.574 90 L N 0.998 121.831 121.223 -0.650 0.000 2.588 90 L HA 0.354 4.693 4.340 -0.002 0.000 0.263 90 L C -0.830 175.781 176.870 -0.431 0.000 0.935 90 L CA -0.996 53.521 54.840 -0.539 0.000 0.891 90 L CB 0.911 42.928 42.059 -0.070 0.000 1.318 90 L HN 0.034 nan 8.230 nan 0.000 0.409 91 Y N 2.441 122.674 120.300 -0.111 0.000 2.589 91 Y HA 0.489 5.038 4.550 -0.002 0.000 0.271 91 Y C 1.802 177.661 175.900 -0.067 0.000 1.107 91 Y CA -0.143 57.901 58.100 -0.093 0.000 1.273 91 Y CB -0.079 38.329 38.460 -0.087 0.000 1.266 91 Y HN 0.703 nan 8.280 nan 0.000 0.504 92 G N 0.459 109.303 108.800 0.072 0.000 2.162 92 G HA2 -0.034 3.925 3.960 -0.002 0.000 0.260 92 G HA3 -0.034 3.925 3.960 -0.002 0.000 0.260 92 G C 0.192 175.118 174.900 0.043 0.000 0.976 92 G CA 0.304 45.420 45.100 0.026 0.000 0.655 92 G HN 0.794 nan 8.290 nan 0.000 0.533 93 A N -0.649 122.224 122.820 0.088 0.000 2.556 93 A HA 0.886 5.205 4.320 -0.002 0.000 0.294 93 A C -2.626 175.011 177.584 0.089 0.000 1.091 93 A CA -1.108 50.965 52.037 0.060 0.000 0.704 93 A CB 1.039 20.054 19.000 0.025 0.000 1.300 93 A HN 0.151 nan 8.150 nan 0.000 0.406 94 P HA 0.374 nan 4.420 nan 0.000 0.265 94 P C 0.292 177.635 177.300 0.071 0.000 1.187 94 P CA 0.549 63.687 63.100 0.062 0.000 0.766 94 P CB 0.744 32.466 31.700 0.036 0.000 0.820 95 G N 1.087 109.947 108.800 0.100 0.000 2.788 95 G HA2 0.260 4.219 3.960 -0.002 0.000 0.293 95 G HA3 0.260 4.219 3.960 -0.002 0.000 0.293 95 G C 0.182 175.118 174.900 0.060 0.000 1.305 95 G CA -0.521 44.642 45.100 0.106 0.000 1.005 95 G HN 0.419 nan 8.290 nan 0.000 0.496 96 E N -0.341 119.887 120.200 0.046 0.000 2.086 96 E HA 0.008 4.357 4.350 -0.002 0.000 0.190 96 E C 2.705 179.323 176.600 0.030 0.000 0.975 96 E CA 0.871 57.289 56.400 0.030 0.000 0.813 96 E CB 0.023 29.732 29.700 0.016 0.000 0.768 96 E HN 0.448 nan 8.360 nan 0.000 0.457 97 A N 2.322 125.156 122.820 0.024 0.000 1.908 97 A HA -0.295 4.024 4.320 -0.002 0.000 0.218 97 A C 2.117 179.693 177.584 -0.014 0.000 1.181 97 A CA 1.995 54.029 52.037 -0.005 0.000 0.627 97 A CB -0.737 18.245 19.000 -0.030 0.000 0.818 97 A HN 0.434 nan 8.150 nan 0.000 0.445 98 E N -0.180 120.018 120.200 -0.004 0.000 2.153 98 E HA -0.130 4.219 4.350 -0.002 0.000 0.194 98 E C 1.676 178.371 176.600 0.158 0.000 0.988 98 E CA 1.524 57.943 56.400 0.031 0.000 0.811 98 E CB -0.582 29.167 29.700 0.082 0.000 0.746 98 E HN 0.327 nan 8.360 nan 0.000 0.466 99 V N 1.743 121.719 119.914 0.105 0.000 2.307 99 V HA -0.232 3.887 4.120 -0.002 0.000 0.245 99 V C 2.523 178.671 176.094 0.090 0.000 1.045 99 V CA 1.550 63.909 62.300 0.099 0.000 1.024 99 V CB -0.539 31.320 31.823 0.059 0.000 0.651 99 V HN 0.266 nan 8.190 nan 0.000 0.449 100 L N -0.675 120.585 121.223 0.062 0.000 2.046 100 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 100 L C 2.464 179.375 176.870 0.069 0.000 1.077 100 L CA 1.235 56.106 54.840 0.051 0.000 0.747 100 L CB -0.597 41.479 42.059 0.029 0.000 0.896 100 L HN 0.340 nan 8.230 nan 0.000 0.432 101 L N 0.135 121.403 121.223 0.076 0.000 2.056 101 L HA -0.097 4.242 4.340 -0.002 0.000 0.207 101 L C 2.615 179.625 176.870 0.234 0.000 1.078 101 L CA 1.929 56.829 54.840 0.099 0.000 0.749 101 L CB -0.717 41.340 42.059 -0.005 0.000 0.901 101 L HN 0.130 nan 8.230 nan 0.000 0.433 102 A N -0.617 122.395 122.820 0.320 0.000 1.877 102 A HA -0.226 4.093 4.320 -0.002 0.000 0.216 102 A C 2.140 179.800 177.584 0.126 0.000 1.186 102 A CA 1.825 54.016 52.037 0.257 0.000 0.620 102 A CB -0.648 18.465 19.000 0.188 0.000 0.822 102 A HN 0.609 nan 8.150 nan 0.000 0.443 103 E N -0.506 119.751 120.200 0.095 0.000 2.077 103 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 103 E C 2.100 178.725 176.600 0.042 0.000 0.989 103 E CA 1.428 57.857 56.400 0.049 0.000 0.800 103 E CB -0.139 29.581 29.700 0.033 0.000 0.746 103 E HN 0.666 nan 8.360 nan 0.000 0.452 104 K N 0.943 121.387 120.400 0.074 0.000 2.057 104 K HA -0.111 4.208 4.320 -0.002 0.000 0.206 104 K C 2.115 178.835 176.600 0.200 0.000 1.050 104 K CA 0.902 57.243 56.287 0.089 0.000 0.935 104 K CB 0.002 32.575 32.500 0.122 0.000 0.715 104 K HN 0.043 nan 8.250 nan 0.000 0.439 105 I N 1.177 121.891 120.570 0.240 0.000 2.179 105 I HA -0.303 3.866 4.170 -0.002 0.000 0.242 105 I C 2.176 178.482 176.117 0.314 0.000 1.088 105 I CA 1.162 62.696 61.300 0.389 0.000 1.357 105 I CB -0.208 37.975 38.000 0.306 0.000 1.051 105 I HN 0.185 nan 8.210 nan 0.000 0.409 106 L N 0.419 121.733 121.223 0.153 0.000 2.131 106 L HA -0.141 4.198 4.340 -0.002 0.000 0.210 106 L C 2.599 179.493 176.870 0.041 0.000 1.092 106 L CA 1.371 56.259 54.840 0.080 0.000 0.759 106 L CB -1.029 41.045 42.059 0.026 0.000 0.903 106 L HN 0.335 nan 8.230 nan 0.000 0.435 107 G N -1.261 107.525 108.800 -0.023 0.000 2.470 107 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.220 107 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.220 107 G C 1.165 175.956 174.900 -0.181 0.000 1.121 107 G CA 0.550 45.556 45.100 -0.156 0.000 0.766 107 G HN 0.310 nan 8.290 nan 0.000 0.553 108 Y N -0.618 119.743 120.300 0.103 0.000 2.522 108 Y HA 0.173 4.722 4.550 -0.002 0.000 0.277 108 Y C 2.586 178.483 175.900 -0.005 0.000 1.104 108 Y CA 0.526 58.663 58.100 0.062 0.000 1.260 108 Y CB 0.305 38.836 38.460 0.120 0.000 1.151 108 Y HN 0.137 nan 8.280 nan 0.000 0.539 109 V N -2.844 117.173 119.914 0.171 0.000 3.635 109 V HA 0.392 4.511 4.120 -0.002 0.000 0.266 109 V C 0.186 176.308 176.094 0.047 0.000 1.316 109 V CA 0.406 62.751 62.300 0.074 0.000 1.060 109 V CB 0.755 32.620 31.823 0.070 0.000 0.820 109 V HN 0.041 nan 8.190 nan 0.000 0.447 110 K N 1.580 122.006 120.400 0.044 0.000 3.072 110 K HA 0.373 4.692 4.320 -0.002 0.000 0.216 110 K C -0.452 176.150 176.600 0.004 0.000 1.253 110 K CA -0.210 56.086 56.287 0.015 0.000 0.891 110 K CB 0.282 32.783 32.500 0.003 0.000 1.224 110 K HN 0.425 nan 8.250 nan 0.000 0.570 111 R N 0.408 120.908 120.500 0.000 0.000 2.502 111 R HA 0.259 4.598 4.340 -0.002 0.000 0.292 111 R C 0.900 177.192 176.300 -0.013 0.000 0.998 111 R CA 1.332 57.425 56.100 -0.012 0.000 1.056 111 R CB 0.257 30.547 30.300 -0.017 0.000 0.939 111 R HN 0.806 nan 8.270 nan 0.000 0.411 112 G N 1.721 110.512 108.800 -0.015 0.000 2.179 112 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.260 112 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.260 112 G C 0.506 175.395 174.900 -0.018 0.000 0.977 112 G CA -0.006 45.085 45.100 -0.015 0.000 0.641 112 G HN 0.882 nan 8.290 nan 0.000 0.533 113 G N -1.047 107.740 108.800 -0.021 0.000 2.543 113 G HA2 0.755 4.714 3.960 -0.002 0.000 0.267 113 G HA3 0.755 4.714 3.960 -0.002 0.000 0.267 113 G C 0.009 174.886 174.900 -0.038 0.000 1.406 113 G CA -0.465 44.617 45.100 -0.031 0.000 1.048 113 G HN 0.430 nan 8.290 nan 0.000 0.548 114 M N -0.625 118.943 119.600 -0.053 0.000 2.658 114 M HA 0.592 5.071 4.480 -0.002 0.000 0.295 114 M C -1.118 175.119 176.300 -0.105 0.000 1.248 114 M CA -0.569 54.689 55.300 -0.070 0.000 0.843 114 M CB 2.866 35.427 32.600 -0.065 0.000 1.749 114 M HN 0.429 nan 8.290 nan 0.000 0.464 115 I N 0.598 121.073 120.570 -0.160 0.000 2.894 115 I HA 0.671 4.840 4.170 -0.002 0.000 0.302 115 I C -1.607 174.314 176.117 -0.327 0.000 1.188 115 I CA -0.654 60.489 61.300 -0.263 0.000 1.014 115 I CB 2.264 40.037 38.000 -0.377 0.000 1.242 115 I HN 0.715 nan 8.210 nan 0.000 0.430 116 R N 5.061 125.359 120.500 -0.337 0.000 2.502 116 R HA 0.491 4.830 4.340 -0.002 0.000 0.300 116 R C -2.282 173.874 176.300 -0.240 0.000 0.984 116 R CA -0.423 55.528 56.100 -0.248 0.000 0.882 116 R CB 0.760 30.986 30.300 -0.124 0.000 1.180 116 R HN 0.349 nan 8.270 nan 0.000 0.444 117 F N 4.770 124.731 119.950 0.018 0.000 2.404 117 F HA 0.441 4.967 4.527 -0.002 0.000 0.345 117 F C 0.845 176.667 175.800 0.037 0.000 1.110 117 F CA -0.212 57.808 58.000 0.034 0.000 1.130 117 F CB 1.265 40.291 39.000 0.042 0.000 1.129 117 F HN 0.390 nan 8.300 nan 0.000 0.500 118 V N 0.144 120.208 119.914 0.251 0.000 3.165 118 V HA 0.558 4.677 4.120 -0.002 0.000 0.307 118 V C 0.109 176.302 176.094 0.166 0.000 1.281 118 V CA -0.867 61.532 62.300 0.165 0.000 1.056 118 V CB 1.927 33.809 31.823 0.099 0.000 1.178 118 V HN 0.649 nan 8.190 nan 0.000 0.475 119 N N 0.693 119.475 118.700 0.136 0.000 2.184 119 N HA 0.246 4.985 4.740 -0.002 0.000 0.206 119 N C 0.132 175.689 175.510 0.079 0.000 1.151 119 N CA 0.824 53.944 53.050 0.117 0.000 0.878 119 N CB 0.890 39.464 38.487 0.145 0.000 1.014 119 N HN 0.937 nan 8.380 nan 0.000 0.512 120 S N -2.576 113.173 115.700 0.082 0.000 2.595 120 S HA 0.437 4.906 4.470 -0.002 0.000 0.270 120 S C 0.823 175.470 174.600 0.078 0.000 1.145 120 S CA -0.456 57.786 58.200 0.070 0.000 0.825 120 S CB 1.002 64.239 63.200 0.062 0.000 1.107 120 S HN -0.046 nan 8.310 nan 0.000 0.461 121 G N 0.710 109.559 108.800 0.080 0.000 2.422 121 G HA2 -0.011 3.948 3.960 -0.002 0.000 0.218 121 G HA3 -0.011 3.948 3.960 -0.002 0.000 0.218 121 G C 1.037 175.984 174.900 0.080 0.000 1.140 121 G CA 1.465 46.616 45.100 0.085 0.000 0.775 121 G HN 0.774 nan 8.290 nan 0.000 0.545 122 T N 0.879 115.482 114.554 0.081 0.000 2.708 122 T HA -0.083 4.266 4.350 -0.002 0.000 0.266 122 T C 2.188 176.921 174.700 0.056 0.000 1.037 122 T CA 1.474 63.646 62.100 0.119 0.000 1.146 122 T CB -0.176 68.766 68.868 0.123 0.000 0.865 122 T HN 0.434 nan 8.240 nan 0.000 0.435 123 E N 0.848 121.068 120.200 0.033 0.000 2.110 123 E HA -0.082 4.267 4.350 -0.002 0.000 0.193 123 E C 2.553 179.138 176.600 -0.024 0.000 0.988 123 E CA 0.932 57.328 56.400 -0.007 0.000 0.804 123 E CB -0.197 29.525 29.700 0.037 0.000 0.745 123 E HN 0.473 nan 8.360 nan 0.000 0.458 124 A N 1.389 124.221 122.820 0.021 0.000 1.858 124 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 124 A C 2.515 180.100 177.584 0.003 0.000 1.190 124 A CA 2.347 54.399 52.037 0.024 0.000 0.617 124 A CB -1.147 17.890 19.000 0.062 0.000 0.827 124 A HN 0.411 nan 8.150 nan 0.000 0.443 125 T N -2.613 111.959 114.554 0.030 0.000 2.821 125 T HA -0.156 4.193 4.350 -0.002 0.000 0.267 125 T C 1.918 176.597 174.700 -0.036 0.000 1.046 125 T CA 1.686 63.816 62.100 0.050 0.000 1.139 125 T CB -0.439 68.529 68.868 0.167 0.000 0.871 125 T HN 0.390 nan 8.240 nan 0.000 0.454 126 M N 1.259 120.692 119.600 -0.279 0.000 2.117 126 M HA -0.113 4.366 4.480 -0.002 0.000 0.262 126 M C 2.146 178.320 176.300 -0.211 0.000 1.065 126 M CA 1.864 56.817 55.300 -0.578 0.000 1.114 126 M CB -0.581 31.538 32.600 -0.801 0.000 1.361 126 M HN 0.274 nan 8.290 nan 0.000 0.408 127 T N 0.835 115.314 114.554 -0.126 0.000 2.821 127 T HA -0.002 4.347 4.350 -0.002 0.000 0.267 127 T C 1.819 176.492 174.700 -0.045 0.000 1.046 127 T CA 1.342 63.404 62.100 -0.064 0.000 1.139 127 T CB -0.456 68.383 68.868 -0.047 0.000 0.871 127 T HN 0.587 nan 8.240 nan 0.000 0.454 128 A N 1.254 124.049 122.820 -0.041 0.000 1.902 128 A HA -0.023 4.297 4.320 -0.002 0.000 0.217 128 A C 2.283 179.854 177.584 -0.022 0.000 1.181 128 A CA 1.198 53.218 52.037 -0.029 0.000 0.623 128 A CB -0.792 18.195 19.000 -0.023 0.000 0.818 128 A HN 0.507 nan 8.150 nan 0.000 0.443 129 I N -1.226 119.331 120.570 -0.022 0.000 2.226 129 I HA -0.241 3.928 4.170 -0.002 0.000 0.245 129 I C 2.740 178.858 176.117 0.003 0.000 1.100 129 I CA 1.602 62.899 61.300 -0.005 0.000 1.374 129 I CB -0.281 37.732 38.000 0.021 0.000 1.057 129 I HN 0.360 nan 8.210 nan 0.000 0.413 130 R N 0.695 121.192 120.500 -0.005 0.000 2.096 130 R HA -0.206 4.133 4.340 -0.002 0.000 0.235 130 R C 2.322 178.638 176.300 0.027 0.000 1.127 130 R CA 1.386 57.493 56.100 0.013 0.000 0.968 130 R CB -0.181 30.127 30.300 0.013 0.000 0.861 130 R HN 0.212 nan 8.270 nan 0.000 0.440 131 L N 0.470 121.703 121.223 0.017 0.000 2.056 131 L HA -0.028 4.311 4.340 -0.002 0.000 0.207 131 L C 2.217 179.124 176.870 0.061 0.000 1.078 131 L CA 2.076 56.934 54.840 0.029 0.000 0.749 131 L CB -0.616 41.439 42.059 -0.006 0.000 0.901 131 L HN 0.214 nan 8.230 nan 0.000 0.433 132 A N -0.523 122.322 122.820 0.043 0.000 1.902 132 A HA -0.209 4.110 4.320 -0.002 0.000 0.217 132 A C 2.422 180.065 177.584 0.099 0.000 1.181 132 A CA 1.737 53.817 52.037 0.072 0.000 0.623 132 A CB -0.511 18.512 19.000 0.038 0.000 0.818 132 A HN 0.479 nan 8.150 nan 0.000 0.443 133 R N -0.929 119.608 120.500 0.061 0.000 2.092 133 R HA -0.076 4.263 4.340 -0.002 0.000 0.231 133 R C 2.374 178.710 176.300 0.059 0.000 1.119 133 R CA 1.112 57.242 56.100 0.049 0.000 0.970 133 R CB -0.551 29.766 30.300 0.028 0.000 0.864 133 R HN 0.531 nan 8.270 nan 0.000 0.440 134 G N -0.254 108.591 108.800 0.074 0.000 2.402 134 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.216 134 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.216 134 G C 1.199 176.156 174.900 0.095 0.000 1.162 134 G CA 0.401 45.546 45.100 0.074 0.000 0.777 134 G HN 0.306 nan 8.290 nan 0.000 0.539 135 Y N 2.242 122.545 120.300 0.006 0.000 2.200 135 Y HA -0.134 4.414 4.550 -0.002 0.000 0.290 135 Y C 3.128 179.033 175.900 0.008 0.000 1.137 135 Y CA 2.285 60.389 58.100 0.006 0.000 1.163 135 Y CB -0.216 38.247 38.460 0.005 0.000 0.988 135 Y HN 0.274 nan 8.280 nan 0.000 0.518 136 T N -3.968 110.625 114.554 0.065 0.000 3.054 136 T HA 0.233 4.582 4.350 -0.002 0.000 0.259 136 T C 1.714 176.394 174.700 -0.033 0.000 1.092 136 T CA 0.609 62.704 62.100 -0.009 0.000 1.121 136 T CB -0.430 68.484 68.868 0.077 0.000 0.912 136 T HN 0.613 nan 8.240 nan 0.000 0.489 137 G N 1.737 110.530 108.800 -0.012 0.000 2.143 137 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.248 137 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.248 137 G C 0.075 174.973 174.900 -0.003 0.000 0.991 137 G CA 0.116 45.208 45.100 -0.014 0.000 0.689 137 G HN 0.720 nan 8.290 nan 0.000 0.522 138 R N -0.690 119.815 120.500 0.008 0.000 2.758 138 R HA 0.600 4.939 4.340 -0.002 0.000 0.265 138 R C 0.193 176.494 176.300 0.001 0.000 1.016 138 R CA -0.668 55.435 56.100 0.005 0.000 1.040 138 R CB 0.897 31.203 30.300 0.010 0.000 1.152 138 R HN 0.033 nan 8.270 nan 0.000 0.503 139 D N 0.372 120.766 120.400 -0.011 0.000 2.431 139 D HA 0.098 4.737 4.640 -0.002 0.000 0.227 139 D C 0.406 176.683 176.300 -0.038 0.000 1.030 139 D CA 0.502 54.490 54.000 -0.019 0.000 0.897 139 D CB 0.408 41.195 40.800 -0.022 0.000 1.058 139 D HN 0.239 nan 8.370 nan 0.000 0.500 140 L N 1.823 123.011 121.223 -0.058 0.000 2.426 140 L HA 0.186 4.525 4.340 -0.002 0.000 0.271 140 L C 0.108 176.922 176.870 -0.094 0.000 1.169 140 L CA 0.075 54.856 54.840 -0.098 0.000 0.836 140 L CB 1.042 43.014 42.059 -0.146 0.000 1.112 140 L HN -0.159 nan 8.230 nan 0.000 0.465 141 I N 3.839 124.343 120.570 -0.109 0.000 2.509 141 I HA 0.338 4.507 4.170 -0.002 0.000 0.293 141 I C -0.451 175.574 176.117 -0.154 0.000 1.020 141 I CA -0.616 60.623 61.300 -0.102 0.000 1.088 141 I CB 2.028 39.986 38.000 -0.070 0.000 1.267 141 I HN 0.357 nan 8.210 nan 0.000 0.430 142 L N 8.097 129.215 121.223 -0.175 0.000 2.296 142 L HA 0.550 4.889 4.340 -0.002 0.000 0.286 142 L C -0.269 176.401 176.870 -0.334 0.000 1.023 142 L CA -0.001 54.681 54.840 -0.264 0.000 0.812 142 L CB 0.804 42.697 42.059 -0.277 0.000 1.223 142 L HN 0.724 nan 8.230 nan 0.000 0.421 143 K N 2.827 122.988 120.400 -0.397 0.000 2.378 143 K HA 0.690 5.009 4.320 -0.002 0.000 0.244 143 K C -1.538 174.705 176.600 -0.596 0.000 1.039 143 K CA -0.750 55.332 56.287 -0.342 0.000 0.863 143 K CB 1.473 33.965 32.500 -0.013 0.000 1.326 143 K HN 0.318 nan 8.250 nan 0.000 0.460 144 F N 0.361 120.462 119.950 0.252 0.000 2.508 144 F HA 0.212 4.737 4.527 -0.004 0.000 0.325 144 F C -0.197 175.693 175.800 0.150 0.000 1.090 144 F CA -0.803 57.340 58.000 0.239 0.000 0.945 144 F CB 1.620 40.863 39.000 0.404 0.000 1.156 144 F HN 0.665 nan 8.300 nan 0.000 0.463 145 D N 1.150 121.711 120.400 0.267 0.000 2.472 145 D HA 0.361 5.000 4.640 -0.002 0.000 0.248 145 D C 1.004 177.366 176.300 0.104 0.000 1.174 145 D CA 1.919 56.002 54.000 0.138 0.000 0.883 145 D CB 0.549 41.410 40.800 0.103 0.000 1.149 145 D HN 0.786 nan 8.370 nan 0.000 0.488 146 G N 2.629 111.454 108.800 0.041 0.000 2.254 146 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.225 146 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.225 146 G C 0.537 175.405 174.900 -0.054 0.000 1.003 146 G CA 0.051 45.135 45.100 -0.026 0.000 0.622 146 G HN 0.714 nan 8.290 nan 0.000 0.507 147 C N 0.954 120.246 119.300 -0.013 0.000 2.601 147 C HA 0.616 5.075 4.460 -0.002 0.000 0.409 147 C C 0.195 175.052 174.990 -0.222 0.000 1.293 147 C CA -0.247 58.708 59.018 -0.104 0.000 2.101 147 C CB -0.159 27.615 27.740 0.057 0.000 2.639 147 C HN 0.412 nan 8.230 nan 0.000 0.592 148 Y N 2.879 122.908 120.300 -0.452 0.000 2.341 148 Y HA 0.418 4.967 4.550 -0.002 0.000 0.338 148 Y C 0.719 176.317 175.900 -0.504 0.000 0.965 148 Y CA -0.339 57.533 58.100 -0.379 0.000 1.108 148 Y CB 0.497 38.849 38.460 -0.180 0.000 1.180 148 Y HN 0.784 nan 8.280 nan 0.000 0.458 149 H N 4.032 122.751 119.070 -0.585 0.000 2.785 149 H HA 0.456 5.010 4.556 -0.002 0.000 0.268 149 H C 0.686 175.677 175.328 -0.562 0.000 1.153 149 H CA 0.299 56.096 56.048 -0.418 0.000 1.111 149 H CB 0.629 30.286 29.762 -0.174 0.000 1.633 149 H HN 0.899 nan 8.280 nan 0.000 0.576 150 G N 0.400 108.490 108.800 -1.183 0.000 2.384 150 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.668 150 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.668 150 G C -0.527 174.184 174.900 -0.315 0.000 1.280 150 G CA -0.273 44.472 45.100 -0.591 0.000 0.992 150 G HN 0.104 nan 8.290 nan 0.000 0.512 151 S N 0.590 116.290 115.700 -0.001 0.000 3.266 151 S HA 0.557 5.026 4.470 -0.002 0.000 0.209 151 S C 0.150 174.813 174.600 0.105 0.000 1.409 151 S CA 0.433 58.672 58.200 0.065 0.000 1.179 151 S CB -1.182 62.084 63.200 0.110 0.000 1.218 151 S HN 1.322 nan 8.310 nan 0.000 0.514 152 H N -1.630 117.439 119.070 -0.001 0.000 2.806 152 H HA 0.575 5.131 4.556 -0.001 0.000 0.367 152 H C 0.355 175.688 175.328 0.007 0.000 1.136 152 H CA -0.876 55.176 56.048 0.007 0.000 1.178 152 H CB 0.410 30.175 29.762 0.005 0.000 1.718 152 H HN -0.042 nan 8.280 nan 0.000 0.540 153 D N 2.660 123.116 120.400 0.093 0.000 2.192 153 D HA -0.326 4.313 4.640 -0.002 0.000 0.189 153 D C 2.166 178.461 176.300 -0.008 0.000 1.007 153 D CA 2.839 56.860 54.000 0.035 0.000 0.859 153 D CB -0.670 40.166 40.800 0.059 0.000 0.936 153 D HN 0.758 nan 8.370 nan 0.000 0.447 154 A N 0.066 122.922 122.820 0.061 0.000 2.032 154 A HA -0.134 4.185 4.320 -0.002 0.000 0.221 154 A C 2.105 179.639 177.584 -0.083 0.000 1.165 154 A CA 1.993 54.044 52.037 0.023 0.000 0.645 154 A CB -0.394 18.687 19.000 0.136 0.000 0.807 154 A HN 0.307 nan 8.150 nan 0.000 0.453 155 V N -3.951 115.809 119.914 -0.257 0.000 3.319 155 V HA 0.430 4.549 4.120 -0.002 0.000 0.317 155 V C 0.465 176.476 176.094 -0.138 0.000 1.411 155 V CA -0.010 62.167 62.300 -0.205 0.000 1.112 155 V CB -0.334 31.314 31.823 -0.291 0.000 1.031 155 V HN 0.281 nan 8.190 nan 0.000 0.448 156 L N 1.838 122.995 121.223 -0.111 0.000 2.923 156 L HA 0.560 4.899 4.340 -0.002 0.000 0.231 156 L C -0.649 176.204 176.870 -0.028 0.000 1.300 156 L CA -0.087 54.725 54.840 -0.047 0.000 1.184 156 L CB 0.734 42.774 42.059 -0.032 0.000 1.511 156 L HN 0.177 nan 8.230 nan 0.000 0.448 157 V N -0.206 119.692 119.914 -0.027 0.000 3.007 157 V HA 0.862 4.981 4.120 -0.002 0.000 0.311 157 V C -0.248 175.837 176.094 -0.015 0.000 1.120 157 V CA -0.668 61.618 62.300 -0.024 0.000 0.980 157 V CB 2.119 33.919 31.823 -0.038 0.000 1.033 157 V HN 0.374 nan 8.190 nan 0.000 0.429 158 A N 1.590 124.401 122.820 -0.015 0.000 2.515 158 A HA 0.965 5.284 4.320 -0.002 0.000 0.296 158 A C -0.197 177.379 177.584 -0.013 0.000 1.094 158 A CA -0.283 51.749 52.037 -0.007 0.000 0.718 158 A CB 1.597 20.597 19.000 -0.000 0.000 1.307 158 A HN 1.702 nan 8.150 nan 0.000 0.408 159 A N 0.549 123.365 122.820 -0.006 0.000 2.511 159 A HA 0.514 4.833 4.320 -0.002 0.000 0.242 159 A C 1.028 178.610 177.584 -0.003 0.000 1.069 159 A CA 0.501 52.534 52.037 -0.007 0.000 0.763 159 A CB -0.499 18.506 19.000 0.009 0.000 1.001 159 A HN 2.028 nan 8.150 nan 0.000 0.498 168 V N -0.561 119.335 119.914 -0.029 0.000 2.864 168 V HA 0.939 5.058 4.120 -0.002 0.000 0.314 168 V C -2.732 173.352 176.094 -0.017 0.000 1.073 168 V CA -3.045 59.243 62.300 -0.020 0.000 0.956 168 V CB 2.176 33.991 31.823 -0.012 0.000 1.023 168 V HN 0.539 nan 8.190 nan 0.000 0.435 169 P HA 0.241 nan 4.420 nan 0.000 0.268 169 P C 0.656 177.953 177.300 -0.005 0.000 1.205 169 P CA 0.283 63.378 63.100 -0.009 0.000 0.771 169 P CB 0.667 32.364 31.700 -0.005 0.000 0.858 170 T N -2.206 112.346 114.554 -0.003 0.000 3.054 170 T HA 0.214 4.563 4.350 -0.002 0.000 0.255 170 T C 0.489 175.191 174.700 0.004 0.000 1.035 170 T CA -0.098 62.003 62.100 0.000 0.000 0.941 170 T CB -0.076 68.794 68.868 0.003 0.000 1.026 170 T HN 0.343 nan 8.240 nan 0.000 0.533 171 S N 0.429 116.132 115.700 0.004 0.000 2.536 171 S HA 0.760 5.229 4.470 -0.002 0.000 0.287 171 S C -0.235 174.369 174.600 0.008 0.000 1.101 171 S CA -0.560 57.645 58.200 0.008 0.000 0.950 171 S CB 1.375 64.583 63.200 0.012 0.000 1.056 171 S HN 0.656 nan 8.310 nan 0.000 0.481 172 A N 2.009 124.835 122.820 0.009 0.000 2.366 172 A HA 0.610 4.929 4.320 -0.002 0.000 0.249 172 A C 1.424 179.015 177.584 0.012 0.000 1.084 172 A CA 0.325 52.367 52.037 0.009 0.000 0.794 172 A CB -0.904 18.102 19.000 0.010 0.000 1.034 172 A HN 2.323 nan 8.150 nan 0.000 0.491 173 G N -0.861 107.946 108.800 0.011 0.000 2.179 173 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.260 173 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.260 173 G C 0.078 174.986 174.900 0.014 0.000 0.977 173 G CA 0.236 45.344 45.100 0.013 0.000 0.641 173 G HN 1.461 nan 8.290 nan 0.000 0.533 174 V N 2.139 122.059 119.914 0.011 0.000 2.328 174 V HA 0.435 4.554 4.120 -0.002 0.000 0.278 174 V C -1.596 174.501 176.094 0.005 0.000 1.021 174 V CA -1.619 60.687 62.300 0.009 0.000 0.838 174 V CB 1.506 33.332 31.823 0.006 0.000 0.999 174 V HN 0.118 nan 8.190 nan 0.000 0.447 175 P HA 0.094 nan 4.420 nan 0.000 0.265 175 P C 0.839 178.137 177.300 -0.003 0.000 1.193 175 P CA 0.108 63.209 63.100 0.002 0.000 0.765 175 P CB 0.680 32.381 31.700 0.003 0.000 0.823 176 E N 2.252 122.449 120.200 -0.005 0.000 2.153 176 E HA -0.209 4.140 4.350 -0.002 0.000 0.194 176 E C 1.855 178.446 176.600 -0.014 0.000 0.988 176 E CA 1.332 57.726 56.400 -0.010 0.000 0.811 176 E CB -0.247 29.448 29.700 -0.008 0.000 0.746 176 E HN 0.523 nan 8.360 nan 0.000 0.466 177 A N 0.834 123.648 122.820 -0.011 0.000 1.972 177 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 177 A C 2.412 179.986 177.584 -0.016 0.000 1.169 177 A CA 1.010 53.039 52.037 -0.013 0.000 0.635 177 A CB -0.299 18.696 19.000 -0.009 0.000 0.810 177 A HN 0.106 nan 8.150 nan 0.000 0.446 178 V N -0.557 119.350 119.914 -0.011 0.000 2.346 178 V HA -0.111 4.008 4.120 -0.002 0.000 0.244 178 V C 3.013 179.095 176.094 -0.020 0.000 1.037 178 V CA 1.567 63.861 62.300 -0.009 0.000 1.029 178 V CB -1.130 30.695 31.823 0.003 0.000 0.663 178 V HN 0.565 nan 8.190 nan 0.000 0.454 179 A N 1.629 124.436 122.820 -0.022 0.000 1.940 179 A HA -0.242 4.077 4.320 -0.002 0.000 0.219 179 A C 2.302 179.856 177.584 -0.051 0.000 1.176 179 A CA 1.977 53.994 52.037 -0.032 0.000 0.631 179 A CB -0.586 18.399 19.000 -0.026 0.000 0.814 179 A HN 0.682 nan 8.150 nan 0.000 0.446 180 R N -0.027 120.443 120.500 -0.051 0.000 2.285 180 R HA 0.055 4.394 4.340 -0.002 0.000 0.213 180 R C 1.036 177.275 176.300 -0.101 0.000 1.068 180 R CA 1.260 57.316 56.100 -0.073 0.000 1.004 180 R CB -0.598 29.668 30.300 -0.057 0.000 0.873 180 R HN 0.481 nan 8.270 nan 0.000 0.467 181 L N 1.116 122.289 121.223 -0.082 0.000 2.591 181 L HA 0.134 4.473 4.340 -0.002 0.000 0.228 181 L C 0.074 176.877 176.870 -0.111 0.000 1.133 181 L CA 0.219 55.003 54.840 -0.092 0.000 0.880 181 L CB 0.249 42.274 42.059 -0.056 0.000 1.033 181 L HN 0.058 nan 8.230 nan 0.000 0.450 182 T N 1.321 115.807 114.554 -0.113 0.000 2.786 182 T HA 0.512 4.861 4.350 -0.002 0.000 0.283 182 T C -0.140 174.466 174.700 -0.156 0.000 0.992 182 T CA -0.353 61.674 62.100 -0.122 0.000 0.954 182 T CB 1.784 70.602 68.868 -0.084 0.000 0.934 182 T HN -0.063 nan 8.240 nan 0.000 0.440 183 L N 3.102 124.206 121.223 -0.198 0.000 2.357 183 L HA 0.782 5.121 4.340 -0.002 0.000 0.273 183 L C -0.490 176.274 176.870 -0.177 0.000 1.080 183 L CA -0.983 53.728 54.840 -0.215 0.000 0.803 183 L CB 1.295 43.191 42.059 -0.272 0.000 1.174 183 L HN 0.296 nan 8.230 nan 0.000 0.443 184 V N 0.532 120.371 119.914 -0.124 0.000 2.623 184 V HA 0.599 4.719 4.120 -0.002 0.000 0.304 184 V C -0.150 175.932 176.094 -0.021 0.000 1.054 184 V CA -0.525 61.719 62.300 -0.094 0.000 0.882 184 V CB 1.978 33.775 31.823 -0.043 0.000 1.002 184 V HN 0.940 nan 8.190 nan 0.000 0.424 185 T N 2.758 117.325 114.554 0.022 0.000 2.887 185 T HA 0.753 5.102 4.350 -0.002 0.000 0.292 185 T C -3.194 171.688 174.700 0.302 0.000 1.087 185 T CA -2.561 59.637 62.100 0.164 0.000 1.009 185 T CB 2.466 71.475 68.868 0.234 0.000 1.203 185 T HN 0.359 nan 8.240 nan 0.000 0.518 186 P HA 0.213 nan 4.420 nan 0.000 0.271 186 P C -1.024 176.375 177.300 0.166 0.000 1.218 186 P CA -0.380 62.830 63.100 0.183 0.000 0.780 186 P CB 0.048 31.787 31.700 0.064 0.000 0.901 187 Y N 3.203 123.459 120.300 -0.075 0.000 2.480 187 Y HA -0.026 4.524 4.550 -0.001 0.000 0.338 187 Y C 1.377 176.769 175.900 -0.846 0.000 1.220 187 Y CA 0.938 58.752 58.100 -0.477 0.000 1.430 187 Y CB -0.031 38.272 38.460 -0.263 0.000 1.311 187 Y HN 0.478 nan 8.280 nan 0.000 0.575 188 N N 1.682 118.975 118.700 -2.344 0.000 2.778 188 N HA -0.275 4.464 4.740 -0.002 0.000 0.249 188 N C -1.213 173.834 175.510 -0.771 0.000 1.069 188 N CA 1.457 53.505 53.050 -1.671 0.000 0.831 188 N CB -1.103 36.915 38.487 -0.783 0.000 1.142 188 N HN 0.656 nan 8.380 nan 0.000 0.573 189 D N 0.815 120.876 120.400 -0.565 0.000 2.456 189 D HA 0.320 4.959 4.640 -0.002 0.000 0.219 189 D C 1.292 177.602 176.300 0.016 0.000 1.126 189 D CA -0.324 53.579 54.000 -0.162 0.000 0.890 189 D CB 0.747 41.513 40.800 -0.057 0.000 1.025 189 D HN -0.119 nan 8.370 nan 0.000 0.511 190 V N 3.952 123.890 119.914 0.040 0.000 2.358 190 V HA -0.254 3.865 4.120 -0.002 0.000 0.246 190 V C 1.931 178.082 176.094 0.095 0.000 1.047 190 V CA 1.651 64.017 62.300 0.110 0.000 1.035 190 V CB -0.319 31.541 31.823 0.060 0.000 0.658 190 V HN 0.461 nan 8.190 nan 0.000 0.452 191 E N 1.336 121.572 120.200 0.059 0.000 2.058 191 E HA -0.182 4.167 4.350 -0.002 0.000 0.194 191 E C 2.240 178.894 176.600 0.091 0.000 0.997 191 E CA 1.594 58.029 56.400 0.059 0.000 0.801 191 E CB -0.756 28.965 29.700 0.035 0.000 0.746 191 E HN 0.566 nan 8.360 nan 0.000 0.450 192 A N 0.769 123.652 122.820 0.105 0.000 1.933 192 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 192 A C 2.158 179.867 177.584 0.208 0.000 1.175 192 A CA 1.219 53.339 52.037 0.137 0.000 0.628 192 A CB -0.577 18.503 19.000 0.134 0.000 0.814 192 A HN 0.253 nan 8.150 nan 0.000 0.444 193 L N 0.224 121.607 121.223 0.266 0.000 2.056 193 L HA -0.122 4.217 4.340 -0.002 0.000 0.207 193 L C 2.137 179.209 176.870 0.337 0.000 1.078 193 L CA 2.347 57.413 54.840 0.376 0.000 0.749 193 L CB -0.688 41.611 42.059 0.400 0.000 0.901 193 L HN 0.521 nan 8.230 nan 0.000 0.433 194 E N -0.766 119.558 120.200 0.207 0.000 2.072 194 E HA -0.207 4.142 4.350 -0.002 0.000 0.191 194 E C 2.276 178.982 176.600 0.177 0.000 0.985 194 E CA 1.069 57.566 56.400 0.161 0.000 0.801 194 E CB -0.152 29.598 29.700 0.083 0.000 0.750 194 E HN 0.483 nan 8.360 nan 0.000 0.452 195 R N 0.515 121.102 120.500 0.145 0.000 2.081 195 R HA -0.094 4.245 4.340 -0.002 0.000 0.235 195 R C 2.525 178.894 176.300 0.115 0.000 1.131 195 R CA 0.970 57.133 56.100 0.105 0.000 0.960 195 R CB -0.533 29.816 30.300 0.081 0.000 0.856 195 R HN 0.091 nan 8.270 nan 0.000 0.436 196 V N 0.374 120.390 119.914 0.171 0.000 2.427 196 V HA -0.202 3.917 4.120 -0.002 0.000 0.248 196 V C 1.679 177.835 176.094 0.104 0.000 1.051 196 V CA 1.633 64.031 62.300 0.162 0.000 1.048 196 V CB -0.330 31.580 31.823 0.145 0.000 0.666 196 V HN 0.164 nan 8.190 nan 0.000 0.456 197 F N 0.494 120.502 119.950 0.098 0.000 2.259 197 F HA 0.054 4.578 4.527 -0.004 0.000 0.298 197 F C 2.376 178.196 175.800 0.032 0.000 1.088 197 F CA 1.327 59.371 58.000 0.075 0.000 1.358 197 F CB -0.604 38.432 39.000 0.060 0.000 1.040 197 F HN 0.217 nan 8.300 nan 0.000 0.505 198 A N -0.192 122.733 122.820 0.174 0.000 1.933 198 A HA -0.176 4.143 4.320 -0.002 0.000 0.218 198 A C 2.046 179.610 177.584 -0.034 0.000 1.175 198 A CA 1.845 53.923 52.037 0.068 0.000 0.628 198 A CB -0.544 18.482 19.000 0.044 0.000 0.814 198 A HN 0.444 nan 8.150 nan 0.000 0.444 199 E N -2.202 117.922 120.200 -0.126 0.000 2.102 199 E HA -0.044 4.305 4.350 -0.002 0.000 0.190 199 E C 0.794 177.089 176.600 -0.509 0.000 0.971 199 E CA 1.077 57.242 56.400 -0.391 0.000 0.821 199 E CB -0.048 29.268 29.700 -0.640 0.000 0.777 199 E HN 0.803 nan 8.360 nan 0.000 0.460 200 Y N -0.812 119.450 120.300 -0.062 0.000 2.527 200 Y HA 0.310 4.859 4.550 -0.001 0.000 0.247 200 Y C 1.984 177.799 175.900 -0.140 0.000 1.138 200 Y CA -0.099 57.940 58.100 -0.101 0.000 1.228 200 Y CB 0.196 38.574 38.460 -0.137 0.000 1.252 200 Y HN 0.030 nan 8.280 nan 0.000 0.531 201 G N 0.659 109.454 108.800 -0.010 0.000 2.606 201 G HA2 -0.417 3.542 3.960 -0.002 0.000 0.221 201 G HA3 -0.417 3.542 3.960 -0.002 0.000 0.221 201 G C 1.271 176.206 174.900 0.059 0.000 1.152 201 G CA 1.953 47.053 45.100 -0.000 0.000 0.765 201 G HN 0.388 nan 8.290 nan 0.000 0.595 202 D N -0.463 119.976 120.400 0.066 0.000 2.371 202 D HA 0.044 4.683 4.640 -0.002 0.000 0.221 202 D C 2.436 178.759 176.300 0.039 0.000 0.986 202 D CA 0.400 54.434 54.000 0.058 0.000 0.899 202 D CB -0.003 40.825 40.800 0.046 0.000 0.902 202 D HN 0.344 nan 8.370 nan 0.000 0.530 203 R N -0.725 119.792 120.500 0.028 0.000 2.437 203 R HA 0.308 4.647 4.340 -0.002 0.000 0.257 203 R C 0.079 176.365 176.300 -0.023 0.000 0.927 203 R CA -0.214 55.893 56.100 0.012 0.000 1.078 203 R CB 0.994 31.311 30.300 0.028 0.000 1.161 203 R HN 0.169 nan 8.270 nan 0.000 0.529 204 I N 1.301 121.843 120.570 -0.047 0.000 2.363 204 I HA 0.079 4.248 4.170 -0.002 0.000 0.292 204 I C 1.254 177.368 176.117 -0.004 0.000 1.075 204 I CA -0.199 61.050 61.300 -0.084 0.000 1.333 204 I CB 1.563 39.423 38.000 -0.233 0.000 1.415 204 I HN 0.142 nan 8.210 nan 0.000 0.502 205 A N 5.408 128.227 122.820 -0.003 0.000 1.930 205 A HA 0.334 4.653 4.320 -0.002 0.000 0.215 205 A C 1.108 178.724 177.584 0.054 0.000 1.176 205 A CA 1.103 53.161 52.037 0.035 0.000 0.632 205 A CB -0.100 18.915 19.000 0.025 0.000 0.819 205 A HN 0.783 nan 8.150 nan 0.000 0.445 206 G N -2.239 106.577 108.800 0.027 0.000 2.720 206 G HA2 0.490 4.449 3.960 -0.002 0.000 0.295 206 G HA3 0.490 4.449 3.960 -0.002 0.000 0.295 206 G C -1.711 173.205 174.900 0.026 0.000 1.437 206 G CA -0.280 44.844 45.100 0.041 0.000 0.886 206 G HN 0.359 nan 8.290 nan 0.000 0.509 207 V N 1.902 121.860 119.914 0.074 0.000 2.378 207 V HA 0.504 4.623 4.120 -0.002 0.000 0.288 207 V C -0.026 176.114 176.094 0.077 0.000 1.016 207 V CA -0.658 61.697 62.300 0.092 0.000 0.840 207 V CB 1.230 33.200 31.823 0.245 0.000 0.994 207 V HN 0.728 nan 8.190 nan 0.000 0.431 208 I N 5.354 125.930 120.570 0.010 0.000 2.437 208 I HA 0.817 4.986 4.170 -0.002 0.000 0.298 208 I C -0.921 175.300 176.117 0.173 0.000 0.984 208 I CA -0.374 60.899 61.300 -0.044 0.000 1.214 208 I CB 1.720 39.519 38.000 -0.335 0.000 1.365 208 I HN 0.495 nan 8.210 nan 0.000 0.469 209 V N 6.545 126.617 119.914 0.263 0.000 3.098 209 V HA 0.342 4.461 4.120 -0.002 0.000 0.294 209 V C -1.281 175.070 176.094 0.429 0.000 1.351 209 V CA -0.526 62.087 62.300 0.521 0.000 0.999 209 V CB 2.454 34.576 31.823 0.499 0.000 1.104 209 V HN 0.824 nan 8.190 nan 0.000 0.438 210 E N 6.225 126.705 120.200 0.467 0.000 2.194 210 E HA 0.307 4.656 4.350 -0.002 0.000 0.284 210 E C -1.957 174.835 176.600 0.320 0.000 1.035 210 E CA -1.597 54.994 56.400 0.318 0.000 0.836 210 E CB 1.890 31.709 29.700 0.199 0.000 1.070 210 E HN 0.513 nan 8.360 nan 0.000 0.401 211 P HA -0.123 nan 4.420 nan 0.000 0.218 211 P C -0.332 177.100 177.300 0.220 0.000 1.148 211 P CA 0.916 64.135 63.100 0.199 0.000 0.822 211 P CB 0.373 32.224 31.700 0.251 0.000 0.784 212 V N 0.004 120.069 119.914 0.251 0.000 2.569 212 V HA 0.230 4.349 4.120 -0.002 0.000 0.301 212 V C 0.042 176.200 176.094 0.106 0.000 1.044 212 V CA -0.925 61.504 62.300 0.215 0.000 0.874 212 V CB 2.178 34.143 31.823 0.237 0.000 1.002 212 V HN -0.116 nan 8.190 nan 0.000 0.424 213 I N 3.457 123.992 120.570 -0.057 0.000 2.648 213 I HA 0.231 4.400 4.170 -0.002 0.000 0.284 213 I C 1.139 177.235 176.117 -0.034 0.000 1.153 213 I CA 0.576 61.776 61.300 -0.167 0.000 1.426 213 I CB 1.514 39.244 38.000 -0.450 0.000 1.381 213 I HN 0.811 nan 8.210 nan 0.000 0.571 214 A N 5.149 127.976 122.820 0.012 0.000 2.551 214 A HA 0.222 4.541 4.320 -0.002 0.000 0.252 214 A C 0.819 178.419 177.584 0.027 0.000 1.199 214 A CA -0.194 51.875 52.037 0.053 0.000 0.972 214 A CB 0.147 19.264 19.000 0.196 0.000 1.153 214 A HN 0.752 nan 8.150 nan 0.000 0.559 215 N N 0.353 119.048 118.700 -0.009 0.000 2.282 215 N HA 0.337 5.076 4.740 -0.002 0.000 0.240 215 N C 0.133 175.591 175.510 -0.087 0.000 1.182 215 N CA 0.812 53.827 53.050 -0.058 0.000 0.874 215 N CB 1.332 39.784 38.487 -0.057 0.000 1.126 215 N HN 0.365 nan 8.380 nan 0.000 0.516 216 A N 0.209 122.991 122.820 -0.064 0.000 3.106 216 A HA 0.614 4.933 4.320 -0.002 0.000 0.227 216 A C 0.854 178.470 177.584 0.054 0.000 0.920 216 A CA 0.013 52.025 52.037 -0.042 0.000 1.088 216 A CB -0.147 18.806 19.000 -0.080 0.000 1.233 216 A HN 0.252 nan 8.150 nan 0.000 0.503 217 G N -0.873 107.941 108.800 0.022 0.000 2.642 217 G HA2 0.045 4.004 3.960 -0.002 0.000 0.231 217 G HA3 0.045 4.004 3.960 -0.002 0.000 0.231 217 G C -0.366 174.589 174.900 0.091 0.000 1.338 217 G CA -0.286 44.853 45.100 0.064 0.000 0.883 217 G HN 1.220 nan 8.290 nan 0.000 0.570 218 V N 0.835 120.849 119.914 0.167 0.000 2.398 218 V HA 0.655 4.774 4.120 -0.002 0.000 0.286 218 V C 0.540 176.721 176.094 0.145 0.000 1.026 218 V CA -0.293 62.060 62.300 0.087 0.000 0.868 218 V CB 1.256 33.090 31.823 0.018 0.000 0.982 218 V HN 0.639 nan 8.190 nan 0.000 0.443 219 I N 7.574 128.167 120.570 0.039 0.000 2.468 219 I HA 0.380 4.549 4.170 -0.002 0.000 0.284 219 I C -2.482 173.694 176.117 0.097 0.000 1.038 219 I CA -1.832 59.476 61.300 0.014 0.000 1.083 219 I CB 2.695 40.631 38.000 -0.106 0.000 1.223 219 I HN 0.428 nan 8.210 nan 0.000 0.443 220 P HA 0.266 nan 4.420 nan 0.000 0.274 220 P C -2.711 174.680 177.300 0.152 0.000 1.231 220 P CA -1.528 61.671 63.100 0.166 0.000 0.790 220 P CB 0.445 32.241 31.700 0.159 0.000 0.951 221 P HA 0.319 nan 4.420 nan 0.000 0.281 221 P C -0.359 176.871 177.300 -0.117 0.000 1.249 221 P CA -0.421 62.628 63.100 -0.084 0.000 0.810 221 P CB 1.192 32.748 31.700 -0.240 0.000 1.008 222 R N 1.138 121.566 120.500 -0.119 0.000 2.410 222 R HA 0.230 4.569 4.340 -0.002 0.000 0.288 222 R C 1.593 177.855 176.300 -0.064 0.000 1.051 222 R CA -0.534 55.519 56.100 -0.078 0.000 1.021 222 R CB 0.621 30.866 30.300 -0.092 0.000 1.032 222 R HN 0.386 nan 8.270 nan 0.000 0.481 223 R N 2.262 122.732 120.500 -0.050 0.000 2.105 223 R HA -0.175 4.164 4.340 -0.002 0.000 0.239 223 R C 0.868 177.137 176.300 -0.051 0.000 1.135 223 R CA 1.914 57.984 56.100 -0.050 0.000 0.967 223 R CB -0.071 30.217 30.300 -0.020 0.000 0.861 223 R HN 0.666 nan 8.270 nan 0.000 0.442 224 E N -0.782 119.399 120.200 -0.031 0.000 2.153 224 E HA -0.122 4.227 4.350 -0.002 0.000 0.194 224 E C 1.513 178.108 176.600 -0.008 0.000 0.988 224 E CA 1.273 57.659 56.400 -0.024 0.000 0.811 224 E CB -0.361 29.329 29.700 -0.016 0.000 0.746 224 E HN 0.334 nan 8.360 nan 0.000 0.466 225 F N 0.697 120.527 119.950 -0.201 0.000 2.163 225 F HA -0.010 4.516 4.527 -0.002 0.000 0.297 225 F C 1.633 177.279 175.800 -0.257 0.000 1.094 225 F CA 1.067 58.905 58.000 -0.270 0.000 1.290 225 F CB -0.179 38.574 39.000 -0.412 0.000 1.017 225 F HN -0.062 nan 8.300 nan 0.000 0.483 226 L N -0.142 120.917 121.223 -0.272 0.000 2.083 226 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 226 L C 2.759 179.478 176.870 -0.252 0.000 1.083 226 L CA 1.188 55.829 54.840 -0.332 0.000 0.752 226 L CB -1.249 40.670 42.059 -0.233 0.000 0.899 226 L HN 0.230 nan 8.230 nan 0.000 0.433 227 A N 0.097 122.815 122.820 -0.171 0.000 1.877 227 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 227 A C 2.541 180.029 177.584 -0.160 0.000 1.186 227 A CA 1.725 53.683 52.037 -0.131 0.000 0.620 227 A CB -0.684 18.264 19.000 -0.087 0.000 0.822 227 A HN 0.394 nan 8.150 nan 0.000 0.443 228 A N -0.323 122.389 122.820 -0.179 0.000 1.902 228 A HA -0.023 4.296 4.320 -0.002 0.000 0.217 228 A C 2.170 179.592 177.584 -0.270 0.000 1.181 228 A CA 1.444 53.367 52.037 -0.190 0.000 0.623 228 A CB -0.618 18.306 19.000 -0.127 0.000 0.818 228 A HN 0.467 nan 8.150 nan 0.000 0.443 229 L N -0.759 120.247 121.223 -0.361 0.000 2.042 229 L HA -0.292 4.047 4.340 -0.002 0.000 0.210 229 L C 2.946 179.678 176.870 -0.230 0.000 1.076 229 L CA 1.849 56.487 54.840 -0.336 0.000 0.749 229 L CB -0.550 41.229 42.059 -0.467 0.000 0.893 229 L HN 0.506 nan 8.230 nan 0.000 0.432 230 Q N -0.825 118.856 119.800 -0.198 0.000 2.083 230 Q HA -0.200 4.139 4.340 -0.002 0.000 0.198 230 Q C 2.288 178.204 176.000 -0.139 0.000 0.969 230 Q CA 1.130 56.852 55.803 -0.136 0.000 0.838 230 Q CB -0.145 28.530 28.738 -0.105 0.000 0.900 230 Q HN 0.389 nan 8.270 nan 0.000 0.436 231 R N 1.022 121.427 120.500 -0.159 0.000 2.070 231 R HA -0.122 4.217 4.340 -0.002 0.000 0.233 231 R C 2.198 178.373 176.300 -0.209 0.000 1.137 231 R CA 1.133 57.142 56.100 -0.150 0.000 0.945 231 R CB -0.231 29.988 30.300 -0.135 0.000 0.845 231 R HN 0.199 nan 8.270 nan 0.000 0.430 232 L N 0.398 121.416 121.223 -0.342 0.000 2.083 232 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 232 L C 2.567 179.105 176.870 -0.553 0.000 1.083 232 L CA 1.323 55.799 54.840 -0.606 0.000 0.752 232 L CB -0.313 41.078 42.059 -1.113 0.000 0.899 232 L HN 0.245 nan 8.230 nan 0.000 0.433 233 S N -0.499 114.992 115.700 -0.347 0.000 2.348 233 S HA -0.212 4.257 4.470 -0.002 0.000 0.221 233 S C 2.046 176.632 174.600 -0.023 0.000 1.033 233 S CA 1.315 59.469 58.200 -0.077 0.000 1.010 233 S CB -0.295 62.898 63.200 -0.011 0.000 0.891 233 S HN 0.344 nan 8.310 nan 0.000 0.442 234 R N 1.318 121.784 120.500 -0.056 0.000 2.091 234 R HA -0.113 4.226 4.340 -0.002 0.000 0.238 234 R C 1.951 178.244 176.300 -0.012 0.000 1.136 234 R CA 1.657 57.744 56.100 -0.023 0.000 0.959 234 R CB -0.184 30.095 30.300 -0.036 0.000 0.856 234 R HN 0.480 nan 8.270 nan 0.000 0.437 235 E N -0.246 119.929 120.200 -0.043 0.000 2.208 235 E HA -0.099 4.250 4.350 -0.002 0.000 0.193 235 E C 1.825 178.438 176.600 0.022 0.000 0.988 235 E CA 1.302 57.690 56.400 -0.021 0.000 0.828 235 E CB 0.168 29.840 29.700 -0.047 0.000 0.763 235 E HN 0.468 nan 8.360 nan 0.000 0.478 236 S N -0.866 114.866 115.700 0.053 0.000 2.486 236 S HA 0.180 4.649 4.470 -0.002 0.000 0.220 236 S C 1.698 176.378 174.600 0.133 0.000 1.011 236 S CA 0.431 58.719 58.200 0.148 0.000 0.921 236 S CB 0.646 64.061 63.200 0.358 0.000 0.785 236 S HN 0.335 nan 8.310 nan 0.000 0.517 237 G N 0.833 109.700 108.800 0.111 0.000 2.176 237 G HA2 -0.032 3.927 3.960 -0.002 0.000 0.232 237 G HA3 -0.032 3.927 3.960 -0.002 0.000 0.232 237 G C 0.187 175.169 174.900 0.135 0.000 0.986 237 G CA -0.111 45.053 45.100 0.106 0.000 0.643 237 G HN 1.216 nan 8.290 nan 0.000 0.522 238 A N 0.345 123.267 122.820 0.169 0.000 2.340 238 A HA 0.762 5.082 4.320 -0.002 0.000 0.268 238 A C 0.590 178.256 177.584 0.138 0.000 1.100 238 A CA -0.276 51.865 52.037 0.173 0.000 0.803 238 A CB 0.482 19.638 19.000 0.260 0.000 1.043 238 A HN 0.774 nan 8.150 nan 0.000 0.488 239 L N 1.829 123.119 121.223 0.112 0.000 2.326 239 L HA 0.265 4.604 4.340 -0.002 0.000 0.278 239 L C -0.231 176.673 176.870 0.057 0.000 1.092 239 L CA -0.703 54.176 54.840 0.065 0.000 0.810 239 L CB 1.068 43.145 42.059 0.029 0.000 1.153 239 L HN 0.654 nan 8.230 nan 0.000 0.439 240 L N 5.371 126.615 121.223 0.034 0.000 2.261 240 L HA 0.385 4.724 4.340 -0.002 0.000 0.289 240 L C -0.298 176.584 176.870 0.020 0.000 1.059 240 L CA 0.295 55.156 54.840 0.034 0.000 0.816 240 L CB 0.376 42.440 42.059 0.008 0.000 1.191 240 L HN 0.332 nan 8.230 nan 0.000 0.431 241 I N 6.753 127.339 120.570 0.028 0.000 2.306 241 I HA 0.222 4.391 4.170 -0.002 0.000 0.288 241 I C -0.440 175.699 176.117 0.036 0.000 1.036 241 I CA -0.361 60.946 61.300 0.012 0.000 1.221 241 I CB 0.646 38.637 38.000 -0.016 0.000 1.385 241 I HN 0.430 nan 8.210 nan 0.000 0.472 242 L N 5.760 127.010 121.223 0.045 0.000 2.283 242 L HA 0.228 4.567 4.340 -0.002 0.000 0.287 242 L C 0.221 177.148 176.870 0.095 0.000 1.073 242 L CA -0.327 54.560 54.840 0.080 0.000 0.822 242 L CB 0.548 42.651 42.059 0.072 0.000 1.186 242 L HN 0.537 nan 8.230 nan 0.000 0.436 243 D N 4.439 124.922 120.400 0.138 0.000 2.402 243 D HA 0.026 4.665 4.640 -0.002 0.000 0.235 243 D C 0.333 176.737 176.300 0.173 0.000 1.226 243 D CA 0.078 54.178 54.000 0.165 0.000 0.918 243 D CB 0.643 41.612 40.800 0.281 0.000 1.043 243 D HN 0.494 nan 8.370 nan 0.000 0.506 244 E N 2.772 123.056 120.200 0.139 0.000 2.411 244 E HA 0.051 4.400 4.350 -0.002 0.000 0.204 244 E C 1.524 178.208 176.600 0.141 0.000 1.059 244 E CA -0.171 56.309 56.400 0.133 0.000 1.112 244 E CB 0.937 30.696 29.700 0.098 0.000 1.168 244 E HN 0.323 nan 8.360 nan 0.000 0.445 245 V N 0.239 120.242 119.914 0.148 0.000 2.392 245 V HA -0.233 3.886 4.120 -0.002 0.000 0.249 245 V C 1.964 178.135 176.094 0.127 0.000 1.059 245 V CA 1.417 63.801 62.300 0.139 0.000 1.051 245 V CB -0.074 31.831 31.823 0.135 0.000 0.658 245 V HN 0.218 nan 8.190 nan 0.000 0.455 246 V N -0.155 119.842 119.914 0.138 0.000 2.581 246 V HA -0.100 4.019 4.120 -0.002 0.000 0.240 246 V C 2.662 178.832 176.094 0.127 0.000 1.054 246 V CA 1.806 64.182 62.300 0.127 0.000 1.076 246 V CB -0.225 31.719 31.823 0.201 0.000 0.748 246 V HN 0.747 nan 8.190 nan 0.000 0.474 247 T N -0.587 114.047 114.554 0.133 0.000 2.915 247 T HA 0.005 4.354 4.350 -0.002 0.000 0.269 247 T C 1.273 175.998 174.700 0.042 0.000 1.071 247 T CA 0.807 62.962 62.100 0.091 0.000 1.132 247 T CB -0.731 68.204 68.868 0.111 0.000 0.878 247 T HN 0.477 nan 8.240 nan 0.000 0.479 248 G N 0.482 109.326 108.800 0.072 0.000 2.254 248 G HA2 0.336 4.295 3.960 -0.002 0.000 0.253 248 G HA3 0.336 4.295 3.960 -0.002 0.000 0.253 248 G C -0.094 174.894 174.900 0.146 0.000 1.246 248 G CA -0.537 44.584 45.100 0.036 0.000 0.946 248 G HN 0.365 nan 8.290 nan 0.000 0.474 249 F N -0.549 119.420 119.950 0.032 0.000 2.935 249 F HA -0.255 4.272 4.527 -0.001 0.000 0.317 249 F C 1.936 177.830 175.800 0.157 0.000 0.699 249 F CA 1.512 59.551 58.000 0.064 0.000 1.127 249 F CB -1.094 37.939 39.000 0.056 0.000 1.491 249 F HN 0.599 nan 8.300 nan 0.000 0.337 250 R N 0.539 121.141 120.500 0.171 0.000 2.164 250 R HA 0.306 4.645 4.340 -0.002 0.000 0.198 250 R C 0.934 177.273 176.300 0.065 0.000 1.028 250 R CA 0.276 56.491 56.100 0.193 0.000 1.083 250 R CB 0.164 30.535 30.300 0.118 0.000 1.026 250 R HN 0.349 nan 8.270 nan 0.000 0.514 251 L N 2.643 123.776 121.223 -0.150 0.000 2.796 251 L HA 0.363 4.702 4.340 -0.002 0.000 0.235 251 L C 0.010 176.618 176.870 -0.438 0.000 1.344 251 L CA -0.048 54.544 54.840 -0.413 0.000 1.245 251 L CB 0.277 41.987 42.059 -0.582 0.000 1.556 251 L HN 0.540 nan 8.230 nan 0.000 0.423 252 G N -0.373 108.005 108.800 -0.703 0.000 2.746 252 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.685 252 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.685 252 G C 0.347 174.843 174.900 -0.673 0.000 1.350 252 G CA -0.570 43.893 45.100 -1.062 0.000 0.837 252 G HN 0.236 nan 8.290 nan 0.000 0.564 253 L N -0.049 120.833 121.223 -0.568 0.000 2.131 253 L HA -0.019 4.320 4.340 -0.002 0.000 0.210 253 L C 2.505 178.982 176.870 -0.655 0.000 1.092 253 L CA 2.012 56.542 54.840 -0.516 0.000 0.759 253 L CB -0.272 41.339 42.059 -0.746 0.000 0.903 253 L HN 0.739 nan 8.230 nan 0.000 0.435 254 E N -0.115 119.844 120.200 -0.402 0.000 2.465 254 E HA 0.145 4.494 4.350 -0.002 0.000 0.191 254 E C 1.229 177.663 176.600 -0.277 0.000 1.053 254 E CA 0.308 56.557 56.400 -0.251 0.000 0.869 254 E CB 0.195 29.844 29.700 -0.086 0.000 0.977 254 E HN 0.471 nan 8.360 nan 0.000 0.483 255 G N 1.672 110.248 108.800 -0.373 0.000 2.578 255 G HA2 -0.430 3.529 3.960 -0.002 0.000 0.275 255 G HA3 -0.430 3.529 3.960 -0.002 0.000 0.275 255 G C 0.978 175.811 174.900 -0.111 0.000 1.271 255 G CA 0.161 45.104 45.100 -0.261 0.000 0.941 255 G HN 0.353 nan 8.290 nan 0.000 0.564 256 A N -1.382 121.435 122.820 -0.005 0.000 1.933 256 A HA -0.023 4.296 4.320 -0.002 0.000 0.218 256 A C 2.414 180.117 177.584 0.199 0.000 1.175 256 A CA 2.429 54.569 52.037 0.170 0.000 0.628 256 A CB -0.508 18.671 19.000 0.298 0.000 0.814 256 A HN 0.777 nan 8.150 nan 0.000 0.444 257 Q N -0.839 119.019 119.800 0.096 0.000 2.061 257 Q HA -0.147 4.192 4.340 -0.002 0.000 0.204 257 Q C 2.214 178.245 176.000 0.052 0.000 0.984 257 Q CA 1.432 57.282 55.803 0.078 0.000 0.846 257 Q CB -0.433 28.324 28.738 0.032 0.000 0.902 257 Q HN 0.682 nan 8.270 nan 0.000 0.421 258 G N -0.483 108.320 108.800 0.004 0.000 2.403 258 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.216 258 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.216 258 G C 1.147 176.016 174.900 -0.051 0.000 1.154 258 G CA 0.335 45.420 45.100 -0.025 0.000 0.784 258 G HN 0.295 nan 8.290 nan 0.000 0.538 259 Y N 0.481 120.643 120.300 -0.229 0.000 2.181 259 Y HA 0.005 4.554 4.550 -0.002 0.000 0.288 259 Y C 1.783 177.420 175.900 -0.437 0.000 1.146 259 Y CA 1.397 59.250 58.100 -0.411 0.000 1.164 259 Y CB -0.007 38.066 38.460 -0.647 0.000 0.982 259 Y HN 0.168 nan 8.280 nan 0.000 0.515 260 F N -0.368 119.627 119.950 0.076 0.000 2.695 260 F HA 0.179 4.706 4.527 0.000 0.000 0.303 260 F C 0.770 176.553 175.800 -0.028 0.000 1.091 260 F CA 0.293 58.299 58.000 0.010 0.000 1.300 260 F CB -0.665 38.380 39.000 0.075 0.000 1.071 260 F HN -0.009 nan 8.300 nan 0.000 0.578 261 N N 1.707 120.467 118.700 0.100 0.000 2.727 261 N HA -0.221 4.518 4.740 -0.002 0.000 0.251 261 N C -0.678 174.869 175.510 0.062 0.000 1.040 261 N CA 0.768 53.847 53.050 0.048 0.000 0.712 261 N CB -1.230 37.265 38.487 0.013 0.000 0.912 261 N HN 0.538 nan 8.380 nan 0.000 0.545 262 I N -3.453 117.166 120.570 0.082 0.000 3.108 262 I HA 0.720 4.889 4.170 -0.002 0.000 0.312 262 I C -0.260 175.877 176.117 0.033 0.000 1.095 262 I CA -1.029 60.300 61.300 0.048 0.000 1.000 262 I CB 2.215 40.248 38.000 0.055 0.000 1.229 262 I HN 0.155 nan 8.210 nan 0.000 0.454 263 E N 1.419 121.624 120.200 0.009 0.000 2.256 263 E HA 0.634 4.983 4.350 -0.002 0.000 0.268 263 E C -1.070 175.528 176.600 -0.003 0.000 0.877 263 E CA -0.778 55.625 56.400 0.005 0.000 0.757 263 E CB 2.234 31.932 29.700 -0.004 0.000 1.183 263 E HN 0.993 nan 8.360 nan 0.000 0.418 264 G N 2.413 111.214 108.800 0.002 0.000 2.417 264 G HA2 0.160 4.119 3.960 -0.002 0.000 0.334 264 G HA3 0.160 4.119 3.960 -0.002 0.000 0.334 264 G C 0.106 174.997 174.900 -0.015 0.000 1.150 264 G CA -0.350 44.749 45.100 -0.002 0.000 0.923 264 G HN 0.625 nan 8.290 nan 0.000 0.485 265 D N -0.012 120.374 120.400 -0.024 0.000 2.120 265 D HA 0.002 4.641 4.640 -0.002 0.000 0.202 265 D C 0.716 176.978 176.300 -0.063 0.000 0.972 265 D CA 1.186 55.154 54.000 -0.052 0.000 0.837 265 D CB 0.491 41.255 40.800 -0.061 0.000 0.989 265 D HN 0.214 nan 8.370 nan 0.000 0.469 266 I N 1.689 122.233 120.570 -0.043 0.000 2.465 266 I HA 0.188 4.357 4.170 -0.002 0.000 0.291 266 I C -0.692 175.419 176.117 -0.010 0.000 1.014 266 I CA -0.678 60.598 61.300 -0.040 0.000 1.093 266 I CB 2.687 40.660 38.000 -0.045 0.000 1.267 266 I HN -0.247 nan 8.210 nan 0.000 0.431 267 I N 6.957 127.526 120.570 -0.001 0.000 2.355 267 I HA 0.312 4.481 4.170 -0.002 0.000 0.288 267 I C -0.056 176.084 176.117 0.039 0.000 0.999 267 I CA -0.726 60.590 61.300 0.026 0.000 1.163 267 I CB 1.496 39.516 38.000 0.032 0.000 1.316 267 I HN 0.117 nan 8.210 nan 0.000 0.454 268 V N 7.568 127.515 119.914 0.055 0.000 2.432 268 V HA 0.472 4.591 4.120 -0.002 0.000 0.275 268 V C 0.363 176.520 176.094 0.105 0.000 1.043 268 V CA -0.442 61.900 62.300 0.069 0.000 0.925 268 V CB 1.664 33.528 31.823 0.068 0.000 0.985 268 V HN 0.477 nan 8.190 nan 0.000 0.466 269 L N 3.736 125.032 121.223 0.123 0.000 2.301 269 L HA 1.041 5.380 4.340 -0.002 0.000 0.264 269 L C 0.614 177.579 176.870 0.159 0.000 1.016 269 L CA -0.282 54.660 54.840 0.170 0.000 0.821 269 L CB 2.302 44.501 42.059 0.232 0.000 1.346 269 L HN 0.840 nan 8.230 nan 0.000 0.429 270 G N -0.886 108.011 108.800 0.163 0.000 2.435 270 G HA2 0.265 4.224 3.960 -0.002 0.000 0.296 270 G HA3 0.265 4.224 3.960 -0.002 0.000 0.296 270 G C -0.680 174.279 174.900 0.099 0.000 1.240 270 G CA -0.159 45.018 45.100 0.127 0.000 0.872 270 G HN 0.516 nan 8.290 nan 0.000 0.480 271 K N -0.985 119.453 120.400 0.063 0.000 4.308 271 K HA -0.355 3.964 4.320 -0.002 0.000 0.233 271 K C 2.127 178.728 176.600 0.002 0.000 0.710 271 K CA 2.408 58.706 56.287 0.017 0.000 0.749 271 K CB -1.314 31.180 32.500 -0.010 0.000 0.766 271 K HN 0.389 nan 8.250 nan 0.000 0.824 272 I N 1.522 122.094 120.570 0.003 0.000 2.185 272 I HA -0.281 3.888 4.170 -0.002 0.000 0.246 272 I C 2.411 178.498 176.117 -0.050 0.000 1.088 272 I CA 2.040 63.330 61.300 -0.018 0.000 1.347 272 I CB -0.582 37.441 38.000 0.038 0.000 1.041 272 I HN 0.424 nan 8.210 nan 0.000 0.415 273 I N -1.427 119.125 120.570 -0.031 0.000 3.010 273 I HA -0.032 4.137 4.170 -0.002 0.000 0.271 273 I C 1.836 177.914 176.117 -0.065 0.000 1.293 273 I CA 1.352 62.589 61.300 -0.104 0.000 1.452 273 I CB -0.714 37.273 38.000 -0.021 0.000 1.082 273 I HN 0.102 nan 8.210 nan 0.000 0.484 274 G N 0.300 109.088 108.800 -0.019 0.000 3.159 274 G HA2 0.347 4.306 3.960 -0.002 0.000 0.232 274 G HA3 0.347 4.306 3.960 -0.002 0.000 0.232 274 G C 1.283 176.222 174.900 0.066 0.000 1.116 274 G CA 0.178 45.285 45.100 0.011 0.000 0.767 274 G HN 0.652 nan 8.290 nan 0.000 0.547 275 G N -0.472 108.336 108.800 0.013 0.000 2.180 275 G HA2 0.138 4.097 3.960 -0.002 0.000 0.263 275 G HA3 0.138 4.097 3.960 -0.002 0.000 0.263 275 G C 1.213 176.154 174.900 0.067 0.000 0.989 275 G CA 1.306 46.426 45.100 0.033 0.000 0.692 275 G HN 1.869 nan 8.290 nan 0.000 0.526 276 G N -2.735 106.076 108.800 0.018 0.000 2.205 276 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.180 276 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.180 276 G C 0.177 174.917 174.900 -0.268 0.000 1.004 276 G CA 0.166 45.194 45.100 -0.120 0.000 0.670 276 G HN 0.975 nan 8.290 nan 0.000 0.496 277 F N 1.200 121.102 119.950 -0.080 0.000 2.440 277 F HA 0.620 5.146 4.527 -0.002 0.000 0.328 277 F C -1.878 173.861 175.800 -0.102 0.000 1.070 277 F CA -2.499 55.437 58.000 -0.107 0.000 1.011 277 F CB 1.191 40.117 39.000 -0.123 0.000 1.226 277 F HN -0.224 nan 8.300 nan 0.000 0.491 278 P HA 0.088 nan 4.420 nan 0.000 0.258 278 P C -0.921 176.398 177.300 0.033 0.000 1.172 278 P CA 0.471 63.565 63.100 -0.009 0.000 0.762 278 P CB 0.549 32.202 31.700 -0.078 0.000 0.764 279 V N 2.734 122.678 119.914 0.050 0.000 3.264 279 V HA 0.888 5.007 4.120 -0.002 0.000 0.294 279 V C -0.782 175.374 176.094 0.104 0.000 1.429 279 V CA -0.016 62.333 62.300 0.081 0.000 1.053 279 V CB 2.399 34.262 31.823 0.067 0.000 1.128 279 V HN 0.723 nan 8.190 nan 0.000 0.452 280 G N 1.523 110.414 108.800 0.150 0.000 2.579 280 G HA2 0.949 4.908 3.960 -0.002 0.000 0.292 280 G HA3 0.949 4.908 3.960 -0.002 0.000 0.292 280 G C -1.277 173.744 174.900 0.201 0.000 1.484 280 G CA 0.112 45.300 45.100 0.148 0.000 0.813 280 G HN 1.842 nan 8.290 nan 0.000 0.515 281 A N -0.544 122.368 122.820 0.153 0.000 2.605 281 A HA 0.827 5.146 4.320 -0.002 0.000 0.294 281 A C -1.583 176.020 177.584 0.031 0.000 1.062 281 A CA -0.546 51.551 52.037 0.100 0.000 0.682 281 A CB 1.798 20.880 19.000 0.136 0.000 1.278 281 A HN 1.694 nan 8.150 nan 0.000 0.410 282 V N 0.815 120.706 119.914 -0.039 0.000 2.483 282 V HA 0.779 4.898 4.120 -0.002 0.000 0.297 282 V C 0.267 176.314 176.094 -0.078 0.000 1.027 282 V CA 0.027 62.303 62.300 -0.040 0.000 0.855 282 V CB 1.328 33.124 31.823 -0.045 0.000 0.995 282 V HN 1.636 nan 8.190 nan 0.000 0.424 283 A N 3.337 126.128 122.820 -0.048 0.000 2.374 283 A HA 1.067 5.386 4.320 -0.002 0.000 0.317 283 A C 0.055 177.609 177.584 -0.050 0.000 1.094 283 A CA 0.010 52.013 52.037 -0.057 0.000 0.765 283 A CB 2.079 21.066 19.000 -0.021 0.000 1.268 283 A HN 1.427 nan 8.150 nan 0.000 0.438 284 G N -0.435 108.327 108.800 -0.062 0.000 2.488 284 G HA2 0.602 4.561 3.960 -0.002 0.000 0.301 284 G HA3 0.602 4.561 3.960 -0.002 0.000 0.301 284 G C -0.239 174.616 174.900 -0.074 0.000 1.339 284 G CA 0.179 45.236 45.100 -0.073 0.000 0.803 284 G HN 1.715 nan 8.290 nan 0.000 0.482 285 S N -0.608 115.038 115.700 -0.090 0.000 2.576 285 S HA 0.187 4.656 4.470 -0.002 0.000 0.272 285 S C 1.534 176.092 174.600 -0.071 0.000 1.352 285 S CA 0.461 58.616 58.200 -0.075 0.000 1.021 285 S CB 1.569 64.719 63.200 -0.083 0.000 0.887 285 S HN 0.925 nan 8.310 nan 0.000 0.542 286 R N 0.754 121.227 120.500 -0.044 0.000 2.096 286 R HA -0.146 4.193 4.340 -0.002 0.000 0.235 286 R C 1.793 178.081 176.300 -0.021 0.000 1.127 286 R CA 1.926 58.008 56.100 -0.030 0.000 0.968 286 R CB -0.466 29.825 30.300 -0.015 0.000 0.861 286 R HN 0.841 nan 8.270 nan 0.000 0.440 287 E N -0.350 119.842 120.200 -0.014 0.000 2.085 287 E HA -0.158 4.191 4.350 -0.002 0.000 0.194 287 E C 1.902 178.512 176.600 0.017 0.000 0.994 287 E CA 1.606 58.028 56.400 0.036 0.000 0.801 287 E CB -0.006 29.739 29.700 0.075 0.000 0.743 287 E HN 0.138 nan 8.360 nan 0.000 0.453 288 V N 0.268 120.077 119.914 -0.174 0.000 2.379 288 V HA -0.164 3.955 4.120 -0.002 0.000 0.243 288 V C 2.039 178.068 176.094 -0.108 0.000 1.035 288 V CA 1.210 63.321 62.300 -0.314 0.000 1.035 288 V CB -0.303 31.209 31.823 -0.517 0.000 0.673 288 V HN 0.307 nan 8.190 nan 0.000 0.457 289 M N -0.003 119.540 119.600 -0.094 0.000 2.279 289 M HA -0.093 4.386 4.480 -0.002 0.000 0.264 289 M C 2.203 178.483 176.300 -0.032 0.000 1.062 289 M CA 1.280 56.542 55.300 -0.063 0.000 1.099 289 M CB -1.380 31.177 32.600 -0.071 0.000 1.394 289 M HN 0.311 nan 8.290 nan 0.000 0.426 290 S N 0.773 116.466 115.700 -0.011 0.000 2.547 290 S HA -0.029 4.440 4.470 -0.002 0.000 0.235 290 S C 1.671 176.284 174.600 0.021 0.000 0.980 290 S CA 0.506 58.709 58.200 0.005 0.000 0.941 290 S CB -0.206 63.005 63.200 0.018 0.000 0.763 290 S HN 0.278 nan 8.310 nan 0.000 0.532 291 L N 0.879 122.123 121.223 0.036 0.000 2.395 291 L HA 0.196 4.535 4.340 -0.002 0.000 0.218 291 L C 0.593 177.478 176.870 0.024 0.000 1.130 291 L CA 0.742 55.612 54.840 0.051 0.000 0.826 291 L CB -0.596 41.519 42.059 0.092 0.000 0.941 291 L HN 0.269 nan 8.230 nan 0.000 0.451 292 L N 0.053 121.273 121.223 -0.004 0.000 2.426 292 L HA 0.130 4.469 4.340 -0.002 0.000 0.271 292 L C 0.848 177.693 176.870 -0.043 0.000 1.169 292 L CA -0.393 54.427 54.840 -0.034 0.000 0.836 292 L CB 0.434 42.456 42.059 -0.061 0.000 1.112 292 L HN 0.218 nan 8.230 nan 0.000 0.465 293 T N -0.284 114.228 114.554 -0.070 0.000 2.932 293 T HA 0.116 4.465 4.350 -0.002 0.000 0.312 293 T C -1.432 173.210 174.700 -0.096 0.000 1.071 293 T CA -1.179 60.879 62.100 -0.070 0.000 1.128 293 T CB 0.676 69.478 68.868 -0.110 0.000 0.984 293 T HN 0.552 nan 8.240 nan 0.000 0.549 294 P HA 0.076 nan 4.420 nan 0.000 0.253 294 P C 0.856 178.155 177.300 -0.002 0.000 1.260 294 P CA 0.191 63.281 63.100 -0.016 0.000 0.800 294 P CB 0.436 32.130 31.700 -0.010 0.000 1.162 295 Q N 1.038 120.833 119.800 -0.008 0.000 2.089 295 Q HA 0.149 4.488 4.340 -0.002 0.000 0.195 295 Q C 1.216 177.223 176.000 0.013 0.000 0.963 295 Q CA 1.509 57.313 55.803 0.002 0.000 0.834 295 Q CB -0.650 28.087 28.738 -0.003 0.000 0.906 295 Q HN 0.206 nan 8.270 nan 0.000 0.452 296 G N -0.779 108.030 108.800 0.016 0.000 2.971 296 G HA2 0.327 4.286 3.960 -0.002 0.000 0.235 296 G HA3 0.327 4.286 3.960 -0.002 0.000 0.235 296 G C -0.350 174.576 174.900 0.043 0.000 1.351 296 G CA -0.452 44.666 45.100 0.030 0.000 1.039 296 G HN 0.130 nan 8.290 nan 0.000 0.563 297 K N -0.889 119.542 120.400 0.052 0.000 2.358 297 K HA 0.243 4.562 4.320 -0.002 0.000 0.197 297 K C -0.040 176.616 176.600 0.094 0.000 1.025 297 K CA -0.030 56.300 56.287 0.071 0.000 1.104 297 K CB 1.148 33.681 32.500 0.054 0.000 0.855 297 K HN 0.083 nan 8.250 nan 0.000 0.531 298 V N 2.937 122.897 119.914 0.077 0.000 2.389 298 V HA 0.082 4.201 4.120 -0.002 0.000 0.264 298 V C -0.197 175.955 176.094 0.096 0.000 1.049 298 V CA -0.479 61.872 62.300 0.085 0.000 0.932 298 V CB -0.354 31.502 31.823 0.055 0.000 1.011 298 V HN 0.088 nan 8.190 nan 0.000 0.475 299 F N 6.339 126.290 119.950 0.003 0.000 2.484 299 F HA 0.371 4.897 4.527 -0.002 0.000 0.360 299 F C 0.491 176.290 175.800 -0.002 0.000 1.101 299 F CA 0.423 58.423 58.000 0.001 0.000 1.251 299 F CB 0.352 39.352 39.000 0.000 0.000 1.132 299 F HN 0.598 nan 8.300 nan 0.000 0.570 300 N N 4.341 122.529 118.700 -0.854 0.000 2.554 300 N HA 0.579 5.318 4.740 -0.002 0.000 0.271 300 N C -2.241 172.808 175.510 -0.769 0.000 1.081 300 N CA -0.289 52.412 53.050 -0.582 0.000 0.994 300 N CB 1.726 40.070 38.487 -0.239 0.000 1.641 300 N HN 0.842 nan 8.380 nan 0.000 0.511 301 A N 1.552 124.065 122.820 -0.512 0.000 2.606 301 A HA 0.903 5.222 4.320 -0.002 0.000 0.293 301 A C -0.905 176.641 177.584 -0.063 0.000 1.082 301 A CA -0.239 51.629 52.037 -0.282 0.000 0.685 301 A CB 1.763 20.626 19.000 -0.229 0.000 1.284 301 A HN 0.759 nan 8.150 nan 0.000 0.408 302 G N -0.426 108.357 108.800 -0.030 0.000 2.635 302 G HA2 0.476 4.435 3.960 -0.002 0.000 0.295 302 G HA3 0.476 4.435 3.960 -0.002 0.000 0.295 302 G C 0.153 175.026 174.900 -0.045 0.000 1.359 302 G CA 0.505 45.609 45.100 0.007 0.000 1.232 302 G HN 0.734 nan 8.290 nan 0.000 0.597 303 T N 1.769 116.227 114.554 -0.160 0.000 2.737 303 T HA -0.126 4.223 4.350 -0.002 0.000 0.269 303 T C 1.514 175.965 174.700 -0.414 0.000 1.040 303 T CA 1.753 63.623 62.100 -0.383 0.000 1.142 303 T CB -0.215 68.229 68.868 -0.708 0.000 0.861 303 T HN 0.389 nan 8.240 nan 0.000 0.456 304 F N 0.734 120.741 119.950 0.096 0.000 2.727 304 F HA 0.354 4.880 4.527 -0.002 0.000 0.302 304 F C 0.790 176.666 175.800 0.126 0.000 1.097 304 F CA -1.248 56.836 58.000 0.139 0.000 1.330 304 F CB -0.657 38.438 39.000 0.157 0.000 1.084 304 F HN -0.096 nan 8.300 nan 0.000 0.578 305 N N 1.418 120.239 118.700 0.201 0.000 2.357 305 N HA 0.214 4.953 4.740 -0.002 0.000 0.257 305 N C 0.947 176.557 175.510 0.166 0.000 1.250 305 N CA 0.987 54.144 53.050 0.178 0.000 0.862 305 N CB 0.305 38.862 38.487 0.117 0.000 1.066 305 N HN 0.285 nan 8.380 nan 0.000 0.468 306 A N 0.886 123.808 122.820 0.171 0.000 2.869 306 A HA -0.240 4.079 4.320 -0.002 0.000 0.280 306 A C 0.399 177.992 177.584 0.016 0.000 1.458 306 A CA 0.544 52.611 52.037 0.050 0.000 0.776 306 A CB -2.626 16.454 19.000 0.132 0.000 1.028 306 A HN 0.860 nan 8.150 nan 0.000 0.547 307 H N 0.109 119.175 119.070 -0.007 0.000 3.167 307 H HA 0.054 4.609 4.556 -0.002 0.000 0.306 307 H C -1.050 174.214 175.328 -0.108 0.000 0.965 307 H CA 0.099 56.142 56.048 -0.008 0.000 1.408 307 H CB 0.609 30.391 29.762 0.034 0.000 1.406 307 H HN 0.217 nan 8.280 nan 0.000 0.576 308 P HA -0.228 nan 4.420 nan 0.000 0.216 308 P C 1.615 178.827 177.300 -0.146 0.000 1.154 308 P CA 1.152 64.078 63.100 -0.291 0.000 0.865 308 P CB 0.298 31.667 31.700 -0.552 0.000 0.789 309 I N -1.540 119.019 120.570 -0.019 0.000 2.406 309 I HA -0.115 4.054 4.170 -0.002 0.000 0.249 309 I C 2.007 177.918 176.117 -0.344 0.000 1.122 309 I CA 1.668 62.856 61.300 -0.187 0.000 1.431 309 I CB -2.036 35.801 38.000 -0.273 0.000 1.087 309 I HN 0.004 nan 8.210 nan 0.000 0.424 310 T N 1.444 115.922 114.554 -0.126 0.000 2.746 310 T HA -0.147 4.202 4.350 -0.002 0.000 0.267 310 T C 2.019 176.617 174.700 -0.171 0.000 1.039 310 T CA 1.269 63.294 62.100 -0.124 0.000 1.142 310 T CB -0.071 68.787 68.868 -0.016 0.000 0.866 310 T HN 0.124 nan 8.240 nan 0.000 0.444 311 M N 1.145 120.628 119.600 -0.194 0.000 2.086 311 M HA 0.035 4.514 4.480 -0.002 0.000 0.261 311 M C 2.852 179.051 176.300 -0.168 0.000 1.067 311 M CA 1.463 56.615 55.300 -0.246 0.000 1.116 311 M CB -1.502 30.959 32.600 -0.231 0.000 1.348 311 M HN 0.309 nan 8.290 nan 0.000 0.407 312 A N 0.253 122.986 122.820 -0.144 0.000 1.902 312 A HA 0.033 4.353 4.320 -0.002 0.000 0.217 312 A C 2.447 179.965 177.584 -0.109 0.000 1.181 312 A CA 2.069 54.040 52.037 -0.110 0.000 0.623 312 A CB -0.853 18.087 19.000 -0.100 0.000 0.818 312 A HN 0.483 nan 8.150 nan 0.000 0.443 313 A N -0.545 122.185 122.820 -0.151 0.000 1.898 313 A HA 0.178 4.497 4.320 -0.002 0.000 0.216 313 A C 2.390 179.941 177.584 -0.055 0.000 1.181 313 A CA 1.795 53.785 52.037 -0.077 0.000 0.620 313 A CB -1.293 17.690 19.000 -0.029 0.000 0.819 313 A HN 0.688 nan 8.150 nan 0.000 0.442 314 G N -0.248 108.500 108.800 -0.087 0.000 2.402 314 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.216 314 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.216 314 G C 1.485 176.314 174.900 -0.119 0.000 1.162 314 G CA 1.149 46.183 45.100 -0.110 0.000 0.777 314 G HN 0.453 nan 8.290 nan 0.000 0.539 315 L N 1.424 122.588 121.223 -0.099 0.000 2.017 315 L HA 0.127 4.466 4.340 -0.002 0.000 0.208 315 L C 3.047 179.883 176.870 -0.056 0.000 1.073 315 L CA 2.269 57.069 54.840 -0.067 0.000 0.745 315 L CB -0.727 41.303 42.059 -0.048 0.000 0.894 315 L HN 0.223 nan 8.230 nan 0.000 0.432 316 A N -1.828 120.960 122.820 -0.053 0.000 1.933 316 A HA -0.182 4.137 4.320 -0.002 0.000 0.218 316 A C 2.253 179.787 177.584 -0.083 0.000 1.175 316 A CA 2.166 54.178 52.037 -0.042 0.000 0.628 316 A CB -1.147 17.842 19.000 -0.018 0.000 0.814 316 A HN 0.522 nan 8.150 nan 0.000 0.444 317 T N 0.159 114.648 114.554 -0.109 0.000 2.708 317 T HA -0.101 4.248 4.350 -0.002 0.000 0.266 317 T C 1.719 176.321 174.700 -0.163 0.000 1.037 317 T CA 1.569 63.570 62.100 -0.165 0.000 1.146 317 T CB -0.306 68.475 68.868 -0.146 0.000 0.865 317 T HN 0.231 nan 8.240 nan 0.000 0.435 318 L N 0.885 122.021 121.223 -0.145 0.000 2.141 318 L HA 0.018 4.357 4.340 -0.002 0.000 0.209 318 L C 2.347 179.200 176.870 -0.029 0.000 1.094 318 L CA 1.598 56.368 54.840 -0.116 0.000 0.763 318 L CB -0.490 41.480 42.059 -0.148 0.000 0.908 318 L HN 0.169 nan 8.230 nan 0.000 0.437 319 K N -0.903 119.482 120.400 -0.026 0.000 2.097 319 K HA -0.103 4.216 4.320 -0.002 0.000 0.206 319 K C 2.155 178.746 176.600 -0.016 0.000 1.049 319 K CA 1.236 57.528 56.287 0.008 0.000 0.933 319 K CB -0.291 32.214 32.500 0.009 0.000 0.717 319 K HN 0.322 nan 8.250 nan 0.000 0.442 320 A N 1.336 124.107 122.820 -0.081 0.000 1.930 320 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 320 A C 2.053 179.563 177.584 -0.122 0.000 1.175 320 A CA 1.132 53.095 52.037 -0.124 0.000 0.627 320 A CB -0.558 18.246 19.000 -0.326 0.000 0.815 320 A HN 0.159 nan 8.150 nan 0.000 0.443 321 L N -0.774 120.370 121.223 -0.132 0.000 2.201 321 L HA -0.171 4.168 4.340 -0.002 0.000 0.212 321 L C 2.350 179.215 176.870 -0.008 0.000 1.105 321 L CA 1.352 56.102 54.840 -0.150 0.000 0.775 321 L CB -0.428 41.584 42.059 -0.080 0.000 0.913 321 L HN 0.495 nan 8.230 nan 0.000 0.440 322 E N -0.335 119.890 120.200 0.042 0.000 2.250 322 E HA -0.103 4.246 4.350 -0.002 0.000 0.192 322 E C 1.580 178.225 176.600 0.075 0.000 0.986 322 E CA 0.577 57.036 56.400 0.099 0.000 0.849 322 E CB 0.248 30.032 29.700 0.141 0.000 0.797 322 E HN 0.520 nan 8.360 nan 0.000 0.482 323 E N 0.292 120.517 120.200 0.042 0.000 2.447 323 E HA 0.088 4.437 4.350 -0.002 0.000 0.204 323 E C -0.011 176.606 176.600 0.029 0.000 0.977 323 E CA 0.123 56.547 56.400 0.040 0.000 0.950 323 E CB 0.642 30.366 29.700 0.040 0.000 0.975 323 E HN 0.132 nan 8.360 nan 0.000 0.496 324 E N 1.439 121.643 120.200 0.006 0.000 2.221 324 E HA 0.165 4.514 4.350 -0.002 0.000 0.268 324 E C -2.277 174.311 176.600 -0.020 0.000 0.933 324 E CA -2.201 54.201 56.400 0.002 0.000 0.809 324 E CB 1.381 31.087 29.700 0.009 0.000 1.190 324 E HN -0.110 nan 8.360 nan 0.000 0.406 325 P HA 0.003 nan 4.420 nan 0.000 0.246 325 P C 0.717 177.992 177.300 -0.042 0.000 1.686 325 P CA 0.203 63.304 63.100 0.002 0.000 0.867 325 P CB -0.092 31.620 31.700 0.021 0.000 1.733 326 V N -0.547 119.279 119.914 -0.147 0.000 2.287 326 V HA -0.288 3.831 4.120 -0.002 0.000 0.248 326 V C 2.053 178.013 176.094 -0.223 0.000 1.053 326 V CA 1.969 64.119 62.300 -0.251 0.000 1.027 326 V CB -1.522 30.026 31.823 -0.458 0.000 0.646 326 V HN 0.142 nan 8.190 nan 0.000 0.447 327 Y N 1.591 121.893 120.300 0.004 0.000 2.181 327 Y HA -0.214 4.335 4.550 -0.001 0.000 0.288 327 Y C 2.957 178.868 175.900 0.018 0.000 1.146 327 Y CA 1.474 59.578 58.100 0.007 0.000 1.164 327 Y CB -1.154 37.307 38.460 0.003 0.000 0.982 327 Y HN 0.421 nan 8.280 nan 0.000 0.515 328 S N -0.729 115.065 115.700 0.157 0.000 2.355 328 S HA -0.149 4.320 4.470 -0.002 0.000 0.222 328 S C 2.106 176.750 174.600 0.073 0.000 1.031 328 S CA 1.358 59.620 58.200 0.104 0.000 0.993 328 S CB -1.190 62.058 63.200 0.080 0.000 0.859 328 S HN 0.175 nan 8.310 nan 0.000 0.453 329 V N 2.335 122.278 119.914 0.048 0.000 2.295 329 V HA -0.157 3.962 4.120 -0.002 0.000 0.246 329 V C 2.916 179.042 176.094 0.053 0.000 1.049 329 V CA 2.194 64.517 62.300 0.038 0.000 1.024 329 V CB -1.176 30.655 31.823 0.013 0.000 0.648 329 V HN 0.574 nan 8.190 nan 0.000 0.447 330 S N -0.614 115.117 115.700 0.052 0.000 2.368 330 S HA -0.210 4.259 4.470 -0.002 0.000 0.225 330 S C 2.082 176.737 174.600 0.092 0.000 1.030 330 S CA 1.663 59.910 58.200 0.079 0.000 0.999 330 S CB -0.385 62.856 63.200 0.068 0.000 0.844 330 S HN 0.558 nan 8.310 nan 0.000 0.459 331 R N 1.316 121.873 120.500 0.095 0.000 2.073 331 R HA -0.102 4.237 4.340 -0.002 0.000 0.234 331 R C 1.836 178.176 176.300 0.067 0.000 1.134 331 R CA 1.380 57.531 56.100 0.085 0.000 0.952 331 R CB -0.166 30.191 30.300 0.095 0.000 0.850 331 R HN 0.229 nan 8.270 nan 0.000 0.433 332 E N 0.413 120.651 120.200 0.062 0.000 2.153 332 E HA -0.144 4.205 4.350 -0.002 0.000 0.194 332 E C 1.832 178.458 176.600 0.043 0.000 0.988 332 E CA 1.210 57.639 56.400 0.049 0.000 0.811 332 E CB -0.224 29.503 29.700 0.046 0.000 0.746 332 E HN 0.484 nan 8.360 nan 0.000 0.466 333 A N 1.491 124.343 122.820 0.053 0.000 1.873 333 A HA -0.056 4.263 4.320 -0.002 0.000 0.215 333 A C 2.433 180.028 177.584 0.017 0.000 1.186 333 A CA 2.031 54.094 52.037 0.043 0.000 0.616 333 A CB -0.613 18.441 19.000 0.091 0.000 0.823 333 A HN 0.268 nan 8.150 nan 0.000 0.442 334 A N -0.214 122.626 122.820 0.032 0.000 1.933 334 A HA -0.150 4.169 4.320 -0.002 0.000 0.218 334 A C 2.098 179.693 177.584 0.018 0.000 1.175 334 A CA 1.819 53.865 52.037 0.016 0.000 0.628 334 A CB -0.420 18.599 19.000 0.032 0.000 0.814 334 A HN 0.552 nan 8.150 nan 0.000 0.444 335 K N -0.257 120.161 120.400 0.030 0.000 2.057 335 K HA -0.049 4.270 4.320 -0.002 0.000 0.207 335 K C 2.300 178.914 176.600 0.023 0.000 1.049 335 K CA 1.113 57.420 56.287 0.032 0.000 0.931 335 K CB -0.321 32.201 32.500 0.038 0.000 0.714 335 K HN 0.437 nan 8.250 nan 0.000 0.440 336 A N 1.359 124.189 122.820 0.017 0.000 1.902 336 A HA -0.129 4.190 4.320 -0.002 0.000 0.217 336 A C 2.122 179.706 177.584 -0.001 0.000 1.181 336 A CA 1.252 53.295 52.037 0.009 0.000 0.623 336 A CB -0.604 18.400 19.000 0.006 0.000 0.818 336 A HN 0.148 nan 8.150 nan 0.000 0.443 337 L N -0.881 120.335 121.223 -0.012 0.000 2.056 337 L HA -0.190 4.150 4.340 -0.002 0.000 0.207 337 L C 2.673 179.541 176.870 -0.005 0.000 1.078 337 L CA 1.814 56.640 54.840 -0.023 0.000 0.749 337 L CB -0.471 41.559 42.059 -0.047 0.000 0.901 337 L HN 0.624 nan 8.230 nan 0.000 0.433 338 E N 0.528 120.735 120.200 0.011 0.000 2.077 338 E HA -0.249 4.100 4.350 -0.002 0.000 0.193 338 E C 1.953 178.579 176.600 0.044 0.000 0.989 338 E CA 1.434 57.855 56.400 0.035 0.000 0.800 338 E CB 0.066 29.793 29.700 0.045 0.000 0.746 338 E HN 0.506 nan 8.360 nan 0.000 0.452 339 E N 0.236 120.456 120.200 0.033 0.000 2.072 339 E HA -0.176 4.173 4.350 -0.002 0.000 0.191 339 E C 2.085 178.697 176.600 0.021 0.000 0.985 339 E CA 0.839 57.258 56.400 0.033 0.000 0.801 339 E CB -0.138 29.578 29.700 0.027 0.000 0.750 339 E HN 0.370 nan 8.360 nan 0.000 0.452 340 A N 1.693 124.518 122.820 0.008 0.000 1.877 340 A HA -0.108 4.211 4.320 -0.002 0.000 0.216 340 A C 2.424 179.999 177.584 -0.015 0.000 1.186 340 A CA 1.728 53.762 52.037 -0.005 0.000 0.620 340 A CB -0.668 18.324 19.000 -0.013 0.000 0.822 340 A HN 0.288 nan 8.150 nan 0.000 0.443 341 A N -0.669 122.143 122.820 -0.014 0.000 1.898 341 A HA -0.048 4.271 4.320 -0.002 0.000 0.216 341 A C 2.440 179.982 177.584 -0.070 0.000 1.181 341 A CA 2.032 54.047 52.037 -0.038 0.000 0.620 341 A CB -0.841 18.149 19.000 -0.016 0.000 0.819 341 A HN 0.448 nan 8.150 nan 0.000 0.442 342 S N -0.268 115.436 115.700 0.008 0.000 2.368 342 S HA -0.169 4.300 4.470 -0.002 0.000 0.225 342 S C 1.836 176.442 174.600 0.010 0.000 1.030 342 S CA 1.506 59.745 58.200 0.064 0.000 0.999 342 S CB -0.314 62.979 63.200 0.155 0.000 0.844 342 S HN 0.700 nan 8.310 nan 0.000 0.459 343 E N 0.487 120.690 120.200 0.005 0.000 2.058 343 E HA -0.134 4.215 4.350 -0.002 0.000 0.194 343 E C 2.121 178.703 176.600 -0.030 0.000 0.997 343 E CA 1.384 57.783 56.400 -0.001 0.000 0.801 343 E CB -0.225 29.475 29.700 0.000 0.000 0.746 343 E HN 0.271 nan 8.360 nan 0.000 0.450 344 V N 1.255 121.135 119.914 -0.056 0.000 2.307 344 V HA -0.238 3.881 4.120 -0.002 0.000 0.245 344 V C 2.307 178.329 176.094 -0.120 0.000 1.045 344 V CA 1.462 63.720 62.300 -0.070 0.000 1.024 344 V CB -0.408 31.377 31.823 -0.063 0.000 0.651 344 V HN 0.250 nan 8.190 nan 0.000 0.449 345 L N -0.278 120.799 121.223 -0.244 0.000 2.141 345 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 345 L C 2.328 179.041 176.870 -0.263 0.000 1.094 345 L CA 1.290 55.865 54.840 -0.442 0.000 0.763 345 L CB -0.700 40.677 42.059 -1.137 0.000 0.908 345 L HN 0.322 nan 8.230 nan 0.000 0.437 346 D N 0.142 120.486 120.400 -0.094 0.000 2.144 346 D HA -0.152 4.487 4.640 -0.002 0.000 0.199 346 D C 2.319 178.638 176.300 0.033 0.000 0.984 346 D CA 1.027 55.072 54.000 0.075 0.000 0.834 346 D CB -0.061 40.798 40.800 0.098 0.000 0.955 346 D HN 0.233 nan 8.370 nan 0.000 0.465 347 R N -0.052 120.446 120.500 -0.005 0.000 2.148 347 R HA -0.059 4.280 4.340 -0.002 0.000 0.227 347 R C 2.226 178.525 176.300 -0.001 0.000 1.103 347 R CA 1.437 57.537 56.100 -0.000 0.000 0.983 347 R CB -0.271 30.024 30.300 -0.008 0.000 0.874 347 R HN 0.297 nan 8.270 nan 0.000 0.451 348 T N -3.252 111.293 114.554 -0.016 0.000 2.985 348 T HA 0.036 4.385 4.350 -0.002 0.000 0.266 348 T C 1.610 176.318 174.700 0.012 0.000 1.076 348 T CA 0.975 63.070 62.100 -0.008 0.000 1.135 348 T CB 0.143 68.993 68.868 -0.029 0.000 0.890 348 T HN 0.388 nan 8.240 nan 0.000 0.480 349 G N 1.260 110.079 108.800 0.031 0.000 2.184 349 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.264 349 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.264 349 G C 0.024 174.959 174.900 0.058 0.000 0.975 349 G CA 0.374 45.504 45.100 0.049 0.000 0.642 349 G HN 0.669 nan 8.290 nan 0.000 0.536 350 L N 2.268 123.522 121.223 0.051 0.000 2.417 350 L HA 0.363 4.702 4.340 -0.002 0.000 0.268 350 L C -1.145 175.798 176.870 0.122 0.000 1.158 350 L CA -1.823 53.046 54.840 0.048 0.000 0.819 350 L CB 0.446 42.501 42.059 -0.007 0.000 1.112 350 L HN 0.010 nan 8.230 nan 0.000 0.458 351 P HA 0.120 nan 4.420 nan 0.000 0.271 351 P C -1.457 175.933 177.300 0.150 0.000 1.220 351 P CA 0.223 63.372 63.100 0.081 0.000 0.768 351 P CB 0.577 32.290 31.700 0.023 0.000 0.848 352 Y N -0.953 119.327 120.300 -0.035 0.000 2.741 352 Y HA 0.718 5.267 4.550 -0.000 0.000 0.339 352 Y C -1.752 174.157 175.900 0.016 0.000 1.226 352 Y CA -1.015 57.072 58.100 -0.023 0.000 1.072 352 Y CB 0.807 39.232 38.460 -0.059 0.000 1.331 352 Y HN 0.489 nan 8.280 nan 0.000 0.453 353 T N 2.376 116.867 114.554 -0.104 0.000 3.012 353 T HA 0.698 5.047 4.350 -0.002 0.000 0.330 353 T C -2.041 172.769 174.700 0.183 0.000 1.321 353 T CA -0.529 61.467 62.100 -0.175 0.000 1.067 353 T CB 0.944 69.747 68.868 -0.107 0.000 1.235 353 T HN 0.738 nan 8.240 nan 0.000 0.479 354 I N 4.313 124.961 120.570 0.130 0.000 2.418 354 I HA 0.451 4.620 4.170 -0.002 0.000 0.287 354 I C -0.507 175.703 176.117 0.156 0.000 1.008 354 I CA -1.008 60.408 61.300 0.194 0.000 1.104 354 I CB 1.899 40.006 38.000 0.179 0.000 1.264 354 I HN 0.475 nan 8.210 nan 0.000 0.438 355 N N 6.453 125.280 118.700 0.212 0.000 2.408 355 N HA 0.495 5.234 4.740 -0.002 0.000 0.280 355 N C -0.879 174.696 175.510 0.107 0.000 1.002 355 N CA -0.501 52.646 53.050 0.162 0.000 0.907 355 N CB 2.240 40.857 38.487 0.217 0.000 1.161 355 N HN 0.543 nan 8.380 nan 0.000 0.488 356 R N 1.455 122.007 120.500 0.087 0.000 2.604 356 R HA 0.578 4.917 4.340 -0.002 0.000 0.281 356 R C -1.933 174.418 176.300 0.085 0.000 1.020 356 R CA -0.572 55.567 56.100 0.065 0.000 0.899 356 R CB 1.236 31.568 30.300 0.053 0.000 1.205 356 R HN 0.237 nan 8.270 nan 0.000 0.450 357 V N 5.519 125.474 119.914 0.067 0.000 2.462 357 V HA 0.263 4.382 4.120 -0.002 0.000 0.288 357 V C 0.182 176.269 176.094 -0.013 0.000 1.020 357 V CA -0.574 61.764 62.300 0.064 0.000 0.857 357 V CB 1.162 33.040 31.823 0.090 0.000 1.013 357 V HN 0.997 nan 8.190 nan 0.000 0.431 358 E N 2.963 123.165 120.200 0.004 0.000 3.221 358 E HA -0.320 4.029 4.350 -0.002 0.000 0.410 358 E C 1.544 178.168 176.600 0.041 0.000 1.531 358 E CA 2.164 58.565 56.400 0.002 0.000 1.285 358 E CB -1.328 28.306 29.700 -0.109 0.000 1.542 358 E HN 0.951 nan 8.360 nan 0.000 0.482 359 S N 1.353 117.089 115.700 0.059 0.000 2.572 359 S HA 0.333 4.802 4.470 -0.002 0.000 0.228 359 S C 1.052 175.720 174.600 0.113 0.000 0.963 359 S CA 0.359 58.621 58.200 0.103 0.000 0.939 359 S CB -0.442 62.846 63.200 0.147 0.000 0.804 359 S HN 0.377 nan 8.310 nan 0.000 0.480 360 M N 1.082 120.714 119.600 0.053 0.000 2.321 360 M HA 0.802 5.281 4.480 -0.002 0.000 0.315 360 M C -0.887 175.352 176.300 -0.101 0.000 1.052 360 M CA -0.809 54.449 55.300 -0.070 0.000 0.936 360 M CB 1.936 34.544 32.600 0.013 0.000 1.639 360 M HN 0.286 nan 8.290 nan 0.000 0.433 361 M N 1.487 120.971 119.600 -0.193 0.000 2.880 361 M HA 0.797 5.276 4.480 -0.002 0.000 0.269 361 M C -2.019 174.174 176.300 -0.179 0.000 1.248 361 M CA -0.725 54.506 55.300 -0.115 0.000 0.821 361 M CB 2.483 35.048 32.600 -0.058 0.000 1.650 361 M HN 0.744 nan 8.290 nan 0.000 0.479 362 Q N 1.318 121.029 119.800 -0.147 0.000 2.479 362 Q HA 0.707 5.046 4.340 -0.002 0.000 0.276 362 Q C -2.515 173.263 176.000 -0.368 0.000 0.989 362 Q CA -0.575 55.040 55.803 -0.312 0.000 0.864 362 Q CB 2.644 31.080 28.738 -0.504 0.000 1.444 362 Q HN 0.889 nan 8.270 nan 0.000 0.388 363 L N 2.931 123.929 121.223 -0.375 0.000 2.309 363 L HA 0.792 5.131 4.340 -0.002 0.000 0.282 363 L C -1.660 174.942 176.870 -0.447 0.000 1.036 363 L CA 0.031 54.750 54.840 -0.202 0.000 0.806 363 L CB 0.790 42.859 42.059 0.016 0.000 1.220 363 L HN 0.612 nan 8.230 nan 0.000 0.429 364 F N 6.088 126.082 119.950 0.073 0.000 2.500 364 F HA 0.476 5.003 4.527 0.001 0.000 0.349 364 F C -0.276 175.540 175.800 0.027 0.000 1.127 364 F CA -0.740 57.275 58.000 0.026 0.000 0.998 364 F CB 1.102 40.091 39.000 -0.018 0.000 1.237 364 F HN 0.187 nan 8.300 nan 0.000 0.439 365 I N 2.456 123.088 120.570 0.104 0.000 2.396 365 I HA 0.424 4.593 4.170 -0.002 0.000 0.292 365 I C 1.161 177.272 176.117 -0.009 0.000 0.999 365 I CA -0.016 61.244 61.300 -0.066 0.000 1.310 365 I CB 0.851 38.561 38.000 -0.484 0.000 1.404 365 I HN 0.883 nan 8.210 nan 0.000 0.496 366 G N 5.044 113.837 108.800 -0.011 0.000 2.213 366 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.236 366 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.236 366 G C 0.011 174.918 174.900 0.013 0.000 0.991 366 G CA 0.087 45.189 45.100 0.004 0.000 0.629 366 G HN 0.814 nan 8.290 nan 0.000 0.517 367 V N -2.806 117.121 119.914 0.021 0.000 2.656 367 V HA 0.809 4.928 4.120 -0.002 0.000 0.307 367 V C 0.708 176.774 176.094 -0.046 0.000 1.051 367 V CA -0.301 61.988 62.300 -0.020 0.000 0.893 367 V CB 1.785 33.580 31.823 -0.046 0.000 0.999 367 V HN 0.174 nan 8.190 nan 0.000 0.426 368 E N 1.684 121.839 120.200 -0.074 0.000 2.442 368 E HA 0.163 4.512 4.350 -0.002 0.000 0.195 368 E C 0.349 176.867 176.600 -0.136 0.000 1.030 368 E CA 0.473 56.804 56.400 -0.116 0.000 0.869 368 E CB 0.688 30.333 29.700 -0.092 0.000 0.857 368 E HN 0.860 nan 8.360 nan 0.000 0.505 369 E N 0.408 120.529 120.200 -0.131 0.000 2.321 369 E HA 0.292 4.641 4.350 -0.002 0.000 0.278 369 E C -1.757 174.717 176.600 -0.210 0.000 0.902 369 E CA -0.462 55.848 56.400 -0.150 0.000 0.758 369 E CB 2.254 31.884 29.700 -0.117 0.000 1.213 369 E HN -0.172 nan 8.360 nan 0.000 0.426 370 V N 3.970 123.719 119.914 -0.275 0.000 2.385 370 V HA 0.169 4.288 4.120 -0.002 0.000 0.277 370 V C 0.408 176.334 176.094 -0.280 0.000 1.012 370 V CA -0.109 61.945 62.300 -0.410 0.000 0.832 370 V CB 1.086 32.348 31.823 -0.934 0.000 1.028 370 V HN 0.738 nan 8.190 nan 0.000 0.436 371 S N 2.107 117.692 115.700 -0.190 0.000 2.603 371 S HA 0.283 4.752 4.470 -0.002 0.000 0.232 371 S C 0.252 174.809 174.600 -0.072 0.000 1.016 371 S CA -0.053 58.078 58.200 -0.115 0.000 0.976 371 S CB 0.029 63.162 63.200 -0.111 0.000 0.921 371 S HN 0.854 nan 8.310 nan 0.000 0.516 372 N N -0.522 118.114 118.700 -0.107 0.000 2.927 372 N HA 0.644 5.383 4.740 -0.002 0.000 0.248 372 N C 0.514 175.960 175.510 -0.106 0.000 1.443 372 N CA -0.372 52.643 53.050 -0.058 0.000 0.870 372 N CB 0.619 39.075 38.487 -0.052 0.000 1.444 372 N HN -0.039 nan 8.380 nan 0.000 0.519 373 A N 0.185 122.962 122.820 -0.072 0.000 1.940 373 A HA 0.053 4.372 4.320 -0.002 0.000 0.219 373 A C 2.105 179.650 177.584 -0.065 0.000 1.176 373 A CA 2.365 54.358 52.037 -0.073 0.000 0.631 373 A CB -1.532 17.445 19.000 -0.039 0.000 0.814 373 A HN 0.954 nan 8.150 nan 0.000 0.446 374 A N -0.674 122.116 122.820 -0.051 0.000 1.908 374 A HA -0.243 4.076 4.320 -0.002 0.000 0.218 374 A C 2.123 179.668 177.584 -0.066 0.000 1.181 374 A CA 1.756 53.766 52.037 -0.045 0.000 0.627 374 A CB -0.547 18.433 19.000 -0.033 0.000 0.818 374 A HN 0.683 nan 8.150 nan 0.000 0.445 375 Q N -0.884 118.854 119.800 -0.103 0.000 2.123 375 Q HA 0.019 4.358 4.340 -0.002 0.000 0.199 375 Q C 2.402 178.297 176.000 -0.173 0.000 0.966 375 Q CA 1.051 56.772 55.803 -0.136 0.000 0.845 375 Q CB -0.334 28.298 28.738 -0.176 0.000 0.907 375 Q HN 0.677 nan 8.270 nan 0.000 0.439 376 A N 1.485 124.178 122.820 -0.212 0.000 1.933 376 A HA -0.176 4.143 4.320 -0.002 0.000 0.218 376 A C 1.942 179.519 177.584 -0.011 0.000 1.175 376 A CA 1.120 53.045 52.037 -0.187 0.000 0.628 376 A CB -0.329 18.592 19.000 -0.131 0.000 0.814 376 A HN 0.197 nan 8.150 nan 0.000 0.444 377 R N -0.345 120.138 120.500 -0.028 0.000 2.237 377 R HA -0.025 4.314 4.340 -0.002 0.000 0.219 377 R C 1.443 177.746 176.300 0.005 0.000 1.080 377 R CA 1.154 57.251 56.100 -0.005 0.000 0.995 377 R CB -0.149 30.142 30.300 -0.015 0.000 0.875 377 R HN 0.478 nan 8.270 nan 0.000 0.462 378 K N 0.483 120.879 120.400 -0.006 0.000 2.426 378 K HA 0.138 4.457 4.320 -0.002 0.000 0.193 378 K C 0.591 177.209 176.600 0.029 0.000 1.028 378 K CA -0.026 56.263 56.287 0.003 0.000 1.047 378 K CB 0.481 32.970 32.500 -0.018 0.000 0.821 378 K HN 0.062 nan 8.250 nan 0.000 0.513 379 A N 2.015 124.873 122.820 0.062 0.000 2.466 379 A HA -0.048 4.271 4.320 -0.002 0.000 0.238 379 A C -0.073 177.569 177.584 0.098 0.000 1.074 379 A CA -0.194 51.911 52.037 0.114 0.000 0.774 379 A CB 0.171 19.322 19.000 0.252 0.000 1.015 379 A HN 0.145 nan 8.150 nan 0.000 0.498 380 D N 1.232 121.693 120.400 0.101 0.000 2.346 380 D HA 0.065 4.704 4.640 -0.002 0.000 0.267 380 D C 0.998 177.410 176.300 0.187 0.000 1.320 380 D CA 0.340 54.416 54.000 0.126 0.000 0.951 380 D CB 0.359 41.230 40.800 0.120 0.000 1.079 380 D HN 0.528 nan 8.370 nan 0.000 0.509 381 K N 2.532 123.021 120.400 0.148 0.000 2.097 381 K HA -0.103 4.216 4.320 -0.002 0.000 0.205 381 K C 1.815 178.538 176.600 0.204 0.000 1.050 381 K CA 0.812 57.195 56.287 0.160 0.000 0.938 381 K CB 0.356 32.911 32.500 0.093 0.000 0.718 381 K HN 0.308 nan 8.250 nan 0.000 0.442 382 K N 0.275 120.777 120.400 0.170 0.000 2.057 382 K HA -0.151 4.168 4.320 -0.002 0.000 0.207 382 K C 1.991 178.689 176.600 0.163 0.000 1.049 382 K CA 1.349 57.721 56.287 0.142 0.000 0.931 382 K CB -0.231 32.334 32.500 0.109 0.000 0.714 382 K HN 0.052 nan 8.250 nan 0.000 0.440 383 F N 0.771 120.767 119.950 0.077 0.000 2.102 383 F HA -0.264 4.262 4.527 -0.001 0.000 0.298 383 F C 2.253 178.085 175.800 0.054 0.000 1.105 383 F CA 1.346 59.379 58.000 0.056 0.000 1.239 383 F CB -0.522 38.514 39.000 0.061 0.000 0.991 383 F HN 0.022 nan 8.300 nan 0.000 0.474 384 Y N 0.246 120.742 120.300 0.326 0.000 2.128 384 Y HA -0.233 4.316 4.550 -0.001 0.000 0.284 384 Y C 2.320 178.275 175.900 0.092 0.000 1.154 384 Y CA 2.157 60.376 58.100 0.198 0.000 1.149 384 Y CB -0.736 37.791 38.460 0.112 0.000 0.976 384 Y HN -0.073 nan 8.280 nan 0.000 0.505 385 V N 0.634 120.657 119.914 0.182 0.000 2.332 385 V HA -0.337 3.782 4.120 -0.002 0.000 0.248 385 V C 2.206 178.301 176.094 0.001 0.000 1.055 385 V CA 2.337 64.711 62.300 0.123 0.000 1.038 385 V CB -0.582 31.325 31.823 0.139 0.000 0.651 385 V HN 0.360 nan 8.190 nan 0.000 0.450 386 K N -0.481 119.866 120.400 -0.088 0.000 2.097 386 K HA -0.166 4.153 4.320 -0.002 0.000 0.206 386 K C 2.084 178.531 176.600 -0.255 0.000 1.049 386 K CA 1.321 57.502 56.287 -0.178 0.000 0.933 386 K CB -0.335 32.009 32.500 -0.260 0.000 0.717 386 K HN 0.283 nan 8.250 nan 0.000 0.442 387 L N 0.753 121.774 121.223 -0.337 0.000 2.056 387 L HA -0.190 4.149 4.340 -0.002 0.000 0.207 387 L C 2.391 179.091 176.870 -0.283 0.000 1.078 387 L CA 1.985 56.623 54.840 -0.337 0.000 0.749 387 L CB -0.667 41.194 42.059 -0.330 0.000 0.901 387 L HN 0.252 nan 8.230 nan 0.000 0.433 388 H N -0.497 118.335 119.070 -0.397 0.000 2.319 388 H HA -0.227 4.328 4.556 -0.002 0.000 0.299 388 H C 2.184 177.446 175.328 -0.110 0.000 1.092 388 H CA 2.295 58.187 56.048 -0.259 0.000 1.302 388 H CB -0.155 29.485 29.762 -0.204 0.000 1.373 388 H HN 0.595 nan 8.280 nan 0.000 0.497 389 E N -0.512 119.466 120.200 -0.371 0.000 2.072 389 E HA -0.217 4.132 4.350 -0.002 0.000 0.191 389 E C 2.183 178.623 176.600 -0.267 0.000 0.985 389 E CA 1.257 57.444 56.400 -0.354 0.000 0.801 389 E CB -0.045 29.564 29.700 -0.152 0.000 0.750 389 E HN 0.542 nan 8.360 nan 0.000 0.452 390 E N 0.315 120.383 120.200 -0.220 0.000 2.106 390 E HA -0.147 4.202 4.350 -0.002 0.000 0.192 390 E C 1.960 178.459 176.600 -0.167 0.000 0.984 390 E CA 1.420 57.713 56.400 -0.179 0.000 0.806 390 E CB -0.125 29.469 29.700 -0.176 0.000 0.750 390 E HN 0.332 nan 8.360 nan 0.000 0.458 391 M N -0.508 118.983 119.600 -0.181 0.000 2.159 391 M HA -0.115 4.364 4.480 -0.002 0.000 0.263 391 M C 2.014 178.238 176.300 -0.127 0.000 1.063 391 M CA 0.912 56.130 55.300 -0.138 0.000 1.110 391 M CB -0.195 32.332 32.600 -0.123 0.000 1.374 391 M HN 0.214 nan 8.290 nan 0.000 0.411 392 L N 0.340 121.456 121.223 -0.178 0.000 2.093 392 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 392 L C 2.442 179.214 176.870 -0.162 0.000 1.085 392 L CA 1.786 56.532 54.840 -0.156 0.000 0.755 392 L CB -0.660 41.273 42.059 -0.209 0.000 0.904 392 L HN 0.186 nan 8.230 nan 0.000 0.435 393 R N -0.572 119.831 120.500 -0.161 0.000 2.152 393 R HA -0.098 4.241 4.340 -0.002 0.000 0.232 393 R C 1.652 177.882 176.300 -0.116 0.000 1.117 393 R CA 1.163 57.182 56.100 -0.136 0.000 0.981 393 R CB -0.037 30.188 30.300 -0.124 0.000 0.870 393 R HN 0.329 nan 8.270 nan 0.000 0.451 394 R N -0.921 119.514 120.500 -0.109 0.000 2.388 394 R HA 0.131 4.470 4.340 -0.002 0.000 0.247 394 R C 0.438 176.689 176.300 -0.082 0.000 0.931 394 R CA 0.502 56.549 56.100 -0.088 0.000 1.082 394 R CB 0.843 31.095 30.300 -0.079 0.000 1.135 394 R HN 0.422 nan 8.270 nan 0.000 0.525 395 G N 0.724 109.463 108.800 -0.101 0.000 2.160 395 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.244 395 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.244 395 G C -0.164 174.703 174.900 -0.055 0.000 1.022 395 G CA 0.024 45.064 45.100 -0.100 0.000 0.741 395 G HN 0.161 nan 8.290 nan 0.000 0.508 396 V N 0.364 120.255 119.914 -0.039 0.000 2.525 396 V HA 0.640 4.759 4.120 -0.002 0.000 0.299 396 V C -0.521 175.629 176.094 0.093 0.000 1.034 396 V CA -1.069 61.236 62.300 0.009 0.000 0.863 396 V CB 1.764 33.570 31.823 -0.028 0.000 0.999 396 V HN 0.385 nan 8.190 nan 0.000 0.423 397 F N 7.551 127.477 119.950 -0.040 0.000 2.361 397 F HA 0.740 5.266 4.527 -0.001 0.000 0.364 397 F C -0.086 175.754 175.800 0.066 0.000 1.120 397 F CA -1.420 56.607 58.000 0.044 0.000 1.102 397 F CB 0.664 39.720 39.000 0.095 0.000 1.183 397 F HN 0.515 nan 8.300 nan 0.000 0.476 398 I N 2.837 123.334 120.570 -0.121 0.000 2.797 398 I HA 0.851 5.020 4.170 -0.002 0.000 0.307 398 I C -0.073 175.856 176.117 -0.313 0.000 1.033 398 I CA -1.457 59.692 61.300 -0.252 0.000 1.071 398 I CB 1.595 39.549 38.000 -0.077 0.000 1.255 398 I HN 0.633 nan 8.210 nan 0.000 0.445 399 A N 4.661 127.318 122.820 -0.271 0.000 2.561 399 A HA 0.235 4.554 4.320 -0.002 0.000 0.234 399 A C -1.481 176.069 177.584 -0.058 0.000 1.055 399 A CA -0.664 51.295 52.037 -0.129 0.000 0.756 399 A CB -0.638 18.391 19.000 0.049 0.000 0.986 399 A HN 0.778 nan 8.150 nan 0.000 0.505 400 P HA -0.006 nan 4.420 nan 0.000 0.233 400 P C 0.413 177.676 177.300 -0.062 0.000 1.167 400 P CA 0.853 63.611 63.100 -0.570 0.000 0.770 400 P CB 0.260 31.689 31.700 -0.451 0.000 0.837 401 S N -0.230 115.474 115.700 0.007 0.000 2.472 401 S HA 0.252 4.721 4.470 -0.002 0.000 0.303 401 S C 0.935 175.291 174.600 -0.407 0.000 1.099 401 S CA -0.743 57.404 58.200 -0.088 0.000 1.077 401 S CB 0.460 63.588 63.200 -0.121 0.000 1.031 401 S HN -0.047 nan 8.310 nan 0.000 0.487 402 N N 3.286 121.545 118.700 -0.735 0.000 2.453 402 N HA 0.044 4.783 4.740 -0.002 0.000 0.183 402 N C 1.104 176.248 175.510 -0.611 0.000 1.041 402 N CA 0.623 52.907 53.050 -1.276 0.000 0.900 402 N CB -0.100 37.904 38.487 -0.804 0.000 0.961 402 N HN 0.676 nan 8.380 nan 0.000 0.443 403 L N 0.115 121.135 121.223 -0.338 0.000 2.591 403 L HA 0.145 4.484 4.340 -0.002 0.000 0.228 403 L C 0.568 177.331 176.870 -0.178 0.000 1.133 403 L CA 0.184 54.910 54.840 -0.190 0.000 0.880 403 L CB -0.027 41.951 42.059 -0.134 0.000 1.033 403 L HN 0.147 nan 8.230 nan 0.000 0.450 404 E N 0.406 120.483 120.200 -0.205 0.000 2.504 404 E HA 0.615 4.964 4.350 -0.002 0.000 0.253 404 E C -0.341 176.162 176.600 -0.162 0.000 1.151 404 E CA -0.291 56.044 56.400 -0.109 0.000 0.972 404 E CB 1.454 31.163 29.700 0.014 0.000 1.247 404 E HN 0.042 nan 8.360 nan 0.000 0.519 405 A N 0.105 122.831 122.820 -0.156 0.000 2.350 405 A HA 0.596 4.915 4.320 -0.002 0.000 0.318 405 A C -0.791 176.484 177.584 -0.515 0.000 1.132 405 A CA -0.645 51.142 52.037 -0.417 0.000 0.811 405 A CB 1.163 19.753 19.000 -0.684 0.000 1.313 405 A HN 0.230 nan 8.150 nan 0.000 0.454 406 V N 0.962 120.554 119.914 -0.537 0.000 2.394 406 V HA 0.511 4.630 4.120 -0.002 0.000 0.282 406 V C -1.161 174.635 176.094 -0.497 0.000 1.031 406 V CA -0.018 62.056 62.300 -0.378 0.000 0.881 406 V CB 0.594 32.291 31.823 -0.211 0.000 0.982 406 V HN 0.636 nan 8.190 nan 0.000 0.451 407 F N 2.341 122.258 119.950 -0.055 0.000 2.508 407 F HA 0.691 5.217 4.527 -0.001 0.000 0.325 407 F C 0.635 176.463 175.800 0.046 0.000 1.090 407 F CA -0.554 57.440 58.000 -0.009 0.000 0.945 407 F CB 2.293 41.283 39.000 -0.017 0.000 1.156 407 F HN 0.545 nan 8.300 nan 0.000 0.463 408 T N -0.791 113.935 114.554 0.286 0.000 2.950 408 T HA 0.971 5.320 4.350 -0.002 0.000 0.288 408 T C -0.191 174.663 174.700 0.258 0.000 1.035 408 T CA -0.759 61.566 62.100 0.375 0.000 1.028 408 T CB 1.986 70.997 68.868 0.237 0.000 1.109 408 T HN 0.909 nan 8.240 nan 0.000 0.514 409 G N -0.352 108.543 108.800 0.158 0.000 2.663 409 G HA2 0.481 4.440 3.960 -0.002 0.000 0.299 409 G HA3 0.481 4.440 3.960 -0.002 0.000 0.299 409 G C 0.110 174.906 174.900 -0.174 0.000 1.372 409 G CA -0.456 44.576 45.100 -0.112 0.000 0.781 409 G HN 0.835 nan 8.290 nan 0.000 0.491 410 L N 0.942 122.067 121.223 -0.163 0.000 2.051 410 L HA 0.034 4.373 4.340 -0.002 0.000 0.214 410 L C 0.160 176.960 176.870 -0.116 0.000 1.076 410 L CA 2.872 57.646 54.840 -0.110 0.000 0.758 410 L CB -0.678 41.341 42.059 -0.067 0.000 0.890 410 L HN 0.422 nan 8.230 nan 0.000 0.433 411 P HA -0.128 nan 4.420 nan 0.000 0.245 411 P C -0.244 176.970 177.300 -0.143 0.000 1.212 411 P CA 0.900 63.890 63.100 -0.183 0.000 0.774 411 P CB -0.529 31.040 31.700 -0.218 0.000 0.999 412 H N 1.154 120.187 119.070 -0.062 0.000 2.998 412 H HA 0.193 4.748 4.556 -0.002 0.000 0.241 412 H C 0.802 176.109 175.328 -0.035 0.000 1.852 412 H CA -0.406 55.604 56.048 -0.063 0.000 1.419 412 H CB -0.213 29.520 29.762 -0.047 0.000 1.793 412 H HN 0.352 nan 8.280 nan 0.000 0.553 413 Q N 0.441 120.286 119.800 0.074 0.000 2.590 413 Q HA 0.518 4.857 4.340 -0.002 0.000 0.295 413 Q C 0.295 176.319 176.000 0.040 0.000 0.973 413 Q CA -0.930 54.901 55.803 0.048 0.000 0.768 413 Q CB 1.607 30.365 28.738 0.033 0.000 1.479 413 Q HN 0.406 nan 8.270 nan 0.000 0.419 414 G N 1.261 110.083 108.800 0.036 0.000 2.596 414 G HA2 -0.474 3.485 3.960 -0.002 0.000 0.295 414 G HA3 -0.474 3.485 3.960 -0.002 0.000 0.295 414 G C 0.656 175.584 174.900 0.046 0.000 1.240 414 G CA 0.892 46.015 45.100 0.038 0.000 0.985 414 G HN 1.015 nan 8.290 nan 0.000 0.555 415 E N 0.390 120.626 120.200 0.061 0.000 2.085 415 E HA -0.080 4.269 4.350 -0.002 0.000 0.194 415 E C 2.948 179.605 176.600 0.094 0.000 0.994 415 E CA 2.179 58.625 56.400 0.076 0.000 0.801 415 E CB -0.502 29.256 29.700 0.096 0.000 0.743 415 E HN 0.988 nan 8.360 nan 0.000 0.453 416 A N 0.998 123.879 122.820 0.102 0.000 1.883 416 A HA -0.203 4.116 4.320 -0.002 0.000 0.217 416 A C 2.160 179.756 177.584 0.020 0.000 1.186 416 A CA 1.574 53.641 52.037 0.050 0.000 0.624 416 A CB -0.733 18.207 19.000 -0.101 0.000 0.822 416 A HN 0.407 nan 8.150 nan 0.000 0.444 417 L N 0.019 121.257 121.223 0.025 0.000 2.093 417 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 417 L C 2.179 179.047 176.870 -0.005 0.000 1.085 417 L CA 2.254 57.094 54.840 0.001 0.000 0.755 417 L CB -0.655 41.417 42.059 0.021 0.000 0.904 417 L HN 0.523 nan 8.230 nan 0.000 0.435 418 E N -0.316 119.892 120.200 0.014 0.000 2.085 418 E HA -0.246 4.103 4.350 -0.002 0.000 0.194 418 E C 2.247 178.850 176.600 0.005 0.000 0.994 418 E CA 1.782 58.188 56.400 0.010 0.000 0.801 418 E CB -0.254 29.458 29.700 0.019 0.000 0.743 418 E HN 0.568 nan 8.360 nan 0.000 0.453 419 I N 1.114 121.695 120.570 0.019 0.000 2.226 419 I HA -0.262 3.907 4.170 -0.002 0.000 0.245 419 I C 2.599 178.709 176.117 -0.011 0.000 1.100 419 I CA 0.930 62.239 61.300 0.016 0.000 1.374 419 I CB -0.355 37.681 38.000 0.060 0.000 1.057 419 I HN 0.076 nan 8.210 nan 0.000 0.413 420 A N 0.563 123.365 122.820 -0.030 0.000 1.877 420 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 420 A C 2.440 179.987 177.584 -0.061 0.000 1.186 420 A CA 1.841 53.837 52.037 -0.068 0.000 0.620 420 A CB -0.988 17.932 19.000 -0.133 0.000 0.822 420 A HN 0.228 nan 8.150 nan 0.000 0.443 421 V N 0.265 120.150 119.914 -0.048 0.000 2.295 421 V HA -0.220 3.899 4.120 -0.002 0.000 0.246 421 V C 2.691 178.766 176.094 -0.033 0.000 1.049 421 V CA 2.179 64.456 62.300 -0.038 0.000 1.024 421 V CB -0.702 31.106 31.823 -0.025 0.000 0.648 421 V HN 0.656 nan 8.190 nan 0.000 0.447 422 E N 0.853 121.037 120.200 -0.026 0.000 2.110 422 E HA -0.181 4.168 4.350 -0.002 0.000 0.193 422 E C 2.276 178.856 176.600 -0.034 0.000 0.988 422 E CA 1.641 58.026 56.400 -0.025 0.000 0.804 422 E CB -0.517 29.172 29.700 -0.018 0.000 0.745 422 E HN 0.550 nan 8.360 nan 0.000 0.458 423 G N 1.509 110.286 108.800 -0.039 0.000 2.418 423 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.217 423 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.217 423 G C 1.617 176.482 174.900 -0.057 0.000 1.158 423 G CA 0.913 45.983 45.100 -0.049 0.000 0.771 423 G HN 0.337 nan 8.290 nan 0.000 0.545 424 L N 0.618 121.808 121.223 -0.055 0.000 2.017 424 L HA 0.080 4.419 4.340 -0.002 0.000 0.208 424 L C 2.870 179.712 176.870 -0.047 0.000 1.073 424 L CA 1.669 56.475 54.840 -0.056 0.000 0.745 424 L CB -0.637 41.390 42.059 -0.053 0.000 0.894 424 L HN 0.135 nan 8.230 nan 0.000 0.432 425 R N -0.916 119.560 120.500 -0.040 0.000 2.080 425 R HA -0.142 4.197 4.340 -0.002 0.000 0.236 425 R C 2.278 178.556 176.300 -0.038 0.000 1.137 425 R CA 1.807 57.886 56.100 -0.035 0.000 0.943 425 R CB -0.695 29.588 30.300 -0.028 0.000 0.846 425 R HN 0.389 nan 8.270 nan 0.000 0.431 426 S N 0.379 116.054 115.700 -0.042 0.000 2.368 426 S HA -0.106 4.363 4.470 -0.002 0.000 0.225 426 S C 2.059 176.623 174.600 -0.059 0.000 1.030 426 S CA 1.447 59.620 58.200 -0.046 0.000 0.999 426 S CB -0.091 63.081 63.200 -0.046 0.000 0.844 426 S HN 0.278 nan 8.310 nan 0.000 0.459 427 S N 1.704 117.361 115.700 -0.071 0.000 2.368 427 S HA 0.039 4.508 4.470 -0.002 0.000 0.225 427 S C 1.813 176.353 174.600 -0.099 0.000 1.030 427 S CA 0.851 58.993 58.200 -0.098 0.000 0.999 427 S CB -0.418 62.715 63.200 -0.112 0.000 0.844 427 S HN 0.344 nan 8.310 nan 0.000 0.459 428 L N 1.186 122.374 121.223 -0.059 0.000 2.017 428 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 428 L C 2.454 179.317 176.870 -0.011 0.000 1.073 428 L CA 1.348 56.183 54.840 -0.009 0.000 0.745 428 L CB -0.440 41.628 42.059 0.016 0.000 0.894 428 L HN 0.261 nan 8.230 nan 0.000 0.432 429 K N -0.804 119.581 120.400 -0.026 0.000 2.057 429 K HA -0.147 4.172 4.320 -0.002 0.000 0.207 429 K C 2.047 178.624 176.600 -0.039 0.000 1.049 429 K CA 1.828 58.101 56.287 -0.023 0.000 0.931 429 K CB -0.333 32.151 32.500 -0.026 0.000 0.714 429 K HN 0.284 nan 8.250 nan 0.000 0.440 430 T N 0.990 115.506 114.554 -0.064 0.000 2.746 430 T HA -0.098 4.251 4.350 -0.002 0.000 0.267 430 T C 2.027 176.662 174.700 -0.107 0.000 1.039 430 T CA 1.196 63.249 62.100 -0.079 0.000 1.142 430 T CB -0.126 68.687 68.868 -0.091 0.000 0.866 430 T HN -0.047 nan 8.240 nan 0.000 0.444 431 V N 1.388 121.202 119.914 -0.167 0.000 2.427 431 V HA -0.045 4.074 4.120 -0.002 0.000 0.248 431 V C 2.410 178.406 176.094 -0.163 0.000 1.051 431 V CA 1.295 63.426 62.300 -0.282 0.000 1.048 431 V CB -0.614 30.839 31.823 -0.616 0.000 0.666 431 V HN 0.431 nan 8.190 nan 0.000 0.456 432 L N 0.500 121.706 121.223 -0.029 0.000 2.275 432 L HA -0.014 4.325 4.340 -0.002 0.000 0.215 432 L C 2.312 179.203 176.870 0.036 0.000 1.119 432 L CA 1.387 56.282 54.840 0.093 0.000 0.790 432 L CB -0.675 41.450 42.059 0.110 0.000 0.919 432 L HN 0.473 nan 8.230 nan 0.000 0.443 433 G N -1.046 107.750 108.800 -0.006 0.000 3.042 433 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.212 433 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.212 433 G C 0.742 175.633 174.900 -0.016 0.000 1.166 433 G CA 0.441 45.536 45.100 -0.009 0.000 0.767 433 G HN 0.403 nan 8.290 nan 0.000 0.546 434 S N 0.000 115.682 115.700 -0.030 0.000 2.498 434 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 434 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 434 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 434 S HN 0.000 nan 8.310 nan 0.000 0.517