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 3ghg_1_H DATA FIRST_RESID 58 DATA SEQUENCE KAPDAGGCLH ADPDLGVLCP TGCQLQEALL QQERPIRNSV DELNNNVEAV DATA SEQUENCE SQTSSSSFQY MYLLKDLWQK RQKQVKDNEN VVNEYSSELE KHQLYIDETV DATA SEQUENCE NSNIPTNLRV LRSILENLRS KIQKLESDVS AQMEYCRTPC TVScNIPVVS DATA SEQUENCE GKEcEEIIRK GGETSEMYLI QPDSSVKPYR VYcDMNTENG GWTVIQNRQD DATA SEQUENCE GSVDFGRKWD PYKQGFGNVA TNTDGKNYcG LPGEYWLGND KISQLTRMGP DATA SEQUENCE TELLIEMEDW KGDKVKAHYG GFTVQNEANK YQISVNKYRG TAGNALMDGA DATA SEQUENCE SQLMGENRTM TIHNGMFFST YDRDNDGWLT SDPRKQcSKE DGGGWWYNRc DATA SEQUENCE HAANPNGRYY WGGQYTWDMA KHGTDDGVVW MNWKGSWYSM RKMSMKIRPF DATA SEQUENCE F 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 58 K HA 0.000 nan 4.320 nan 0.000 0.191 58 K C 0.000 176.601 176.600 0.002 0.000 0.988 58 K CA 0.000 56.288 56.287 0.002 0.000 0.838 58 K CB 0.000 32.501 32.500 0.002 0.000 1.064 59 A N 1.143 123.964 122.820 0.002 0.000 2.240 59 A HA 0.564 4.883 4.320 -0.000 0.000 0.292 59 A C -2.140 175.445 177.584 0.002 0.000 1.121 59 A CA -0.848 51.190 52.037 0.002 0.000 0.851 59 A CB -0.260 18.741 19.000 0.002 0.000 1.167 59 A HN 0.517 nan 8.150 nan 0.000 0.503 60 P HA 0.341 nan 4.420 nan 0.000 0.220 60 P C -1.431 175.870 177.300 0.002 0.000 1.806 60 P CA 0.337 63.438 63.100 0.002 0.000 0.976 60 P CB -0.395 31.306 31.700 0.002 0.000 1.952 61 D N 0.909 121.310 120.400 0.002 0.000 2.386 61 D HA 0.593 5.233 4.640 -0.000 0.000 0.247 61 D C -0.966 175.336 176.300 0.003 0.000 1.336 61 D CA -0.168 53.834 54.000 0.003 0.000 0.976 61 D CB 1.442 42.243 40.800 0.003 0.000 1.257 61 D HN 0.213 nan 8.370 nan 0.000 0.570 62 A N 1.395 124.217 122.820 0.004 0.000 2.547 62 A HA 0.843 5.163 4.320 -0.000 0.000 0.297 62 A C 0.163 177.750 177.584 0.005 0.000 1.056 62 A CA -0.275 51.765 52.037 0.004 0.000 0.688 62 A CB 1.719 20.721 19.000 0.004 0.000 1.282 62 A HN 0.801 nan 8.150 nan 0.000 0.400 63 G N 0.347 109.150 108.800 0.006 0.000 2.511 63 G HA2 0.535 4.494 3.960 -0.000 0.000 0.205 63 G HA3 0.535 4.494 3.960 -0.000 0.000 0.205 63 G C 0.158 175.064 174.900 0.010 0.000 1.098 63 G CA 0.240 45.344 45.100 0.007 0.000 0.812 63 G HN 2.132 nan 8.290 nan 0.000 0.497 64 G N -1.525 107.282 108.800 0.011 0.000 2.788 64 G HA2 0.974 4.934 3.960 -0.000 0.000 0.293 64 G HA3 0.974 4.934 3.960 -0.000 0.000 0.293 64 G C -0.037 174.874 174.900 0.019 0.000 1.392 64 G CA 0.250 45.359 45.100 0.016 0.000 0.810 64 G HN 1.708 nan 8.290 nan 0.000 0.508 65 C N -2.042 117.274 119.300 0.027 0.000 3.258 65 C HA 0.852 5.312 4.460 -0.000 0.000 0.376 65 C C -0.964 174.048 174.990 0.038 0.000 1.869 65 C CA -1.069 57.966 59.018 0.029 0.000 1.189 65 C CB 0.879 28.638 27.740 0.032 0.000 2.230 65 C HN 0.937 nan 8.230 nan 0.000 0.432 66 L N 1.159 122.404 121.223 0.036 0.000 2.377 66 L HA 0.549 4.889 4.340 -0.000 0.000 0.270 66 L C -0.365 176.539 176.870 0.056 0.000 0.991 66 L CA 0.010 54.877 54.840 0.045 0.000 0.851 66 L CB 0.487 42.559 42.059 0.023 0.000 1.218 66 L HN 0.937 nan 8.230 nan 0.000 0.420 67 H N 3.345 122.415 119.070 0.000 0.000 2.679 67 H HA 0.380 4.936 4.556 -0.000 0.000 0.369 67 H C 0.455 175.783 175.328 0.000 0.000 1.178 67 H CA 0.578 56.626 56.048 0.000 0.000 1.419 67 H CB 1.642 31.404 29.762 0.000 0.000 1.458 67 H HN 0.682 nan 8.280 nan 0.000 0.605 68 A N 3.483 126.190 122.820 -0.189 0.000 3.074 68 A HA 0.193 4.513 4.320 -0.000 0.000 0.251 68 A C -0.591 177.054 177.584 0.102 0.000 1.695 68 A CA 0.197 52.203 52.037 -0.053 0.000 1.343 68 A CB -0.799 18.125 19.000 -0.126 0.000 1.078 68 A HN 0.676 nan 8.150 nan 0.000 0.644 69 D N -0.160 120.342 120.400 0.171 0.000 2.726 69 D HA 0.295 4.934 4.640 -0.000 0.000 0.203 69 D C -2.511 173.840 176.300 0.084 0.000 1.297 69 D CA -0.970 53.117 54.000 0.146 0.000 0.863 69 D CB 1.607 42.533 40.800 0.211 0.000 1.669 69 D HN -0.057 nan 8.370 nan 0.000 0.561 70 P HA -0.022 nan 4.420 nan 0.000 0.223 70 P C 0.308 177.619 177.300 0.018 0.000 1.144 70 P CA 0.807 63.925 63.100 0.030 0.000 0.783 70 P CB 0.470 32.182 31.700 0.020 0.000 0.771 71 D N -0.699 119.708 120.400 0.012 0.000 2.113 71 D HA -0.046 4.594 4.640 -0.000 0.000 0.206 71 D C 2.064 178.349 176.300 -0.025 0.000 0.979 71 D CA 0.983 54.977 54.000 -0.010 0.000 0.862 71 D CB -0.994 39.793 40.800 -0.021 0.000 1.013 71 D HN 0.129 nan 8.370 nan 0.000 0.455 72 L N 0.424 121.613 121.223 -0.056 0.000 2.056 72 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 72 L C 1.855 178.706 176.870 -0.032 0.000 1.078 72 L CA 0.957 55.740 54.840 -0.096 0.000 0.749 72 L CB -0.945 40.947 42.059 -0.278 0.000 0.901 72 L HN 0.213 nan 8.230 nan 0.000 0.433 73 G N -0.150 108.662 108.800 0.021 0.000 2.652 73 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.318 73 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.318 73 G C 0.084 175.008 174.900 0.040 0.000 1.295 73 G CA 0.027 45.151 45.100 0.041 0.000 0.999 73 G HN 0.066 nan 8.290 nan 0.000 0.548 74 V N 2.318 122.247 119.914 0.025 0.000 2.403 74 V HA 0.348 4.468 4.120 -0.000 0.000 0.265 74 V C 1.211 177.312 176.094 0.012 0.000 1.034 74 V CA 0.233 62.545 62.300 0.021 0.000 1.036 74 V CB 0.047 31.879 31.823 0.015 0.000 1.032 74 V HN 0.543 nan 8.190 nan 0.000 0.478 75 L N 4.368 125.600 121.223 0.015 0.000 2.469 75 L HA 0.563 4.903 4.340 -0.000 0.000 0.253 75 L C -0.084 176.791 176.870 0.007 0.000 1.143 75 L CA -0.371 54.472 54.840 0.006 0.000 0.804 75 L CB 1.178 43.242 42.059 0.008 0.000 1.214 75 L HN 0.541 nan 8.230 nan 0.000 0.476 76 C N 0.137 119.439 119.300 0.003 0.000 2.783 76 C HA 0.456 4.916 4.460 -0.000 0.000 0.312 76 C C -2.127 172.865 174.990 0.003 0.000 1.182 76 C CA -1.137 57.883 59.018 0.004 0.000 1.432 76 C CB 1.567 29.308 27.740 0.002 0.000 1.933 76 C HN 0.601 nan 8.230 nan 0.000 0.473 77 P HA 0.176 nan 4.420 nan 0.000 0.266 77 P C 0.208 177.509 177.300 0.002 0.000 1.193 77 P CA 0.393 63.495 63.100 0.004 0.000 0.770 77 P CB 0.254 31.956 31.700 0.004 0.000 0.836 78 T N -1.425 113.130 114.554 0.002 0.000 2.698 78 T HA 0.222 4.572 4.350 -0.000 0.000 0.295 78 T C 1.708 176.408 174.700 0.000 0.000 1.007 78 T CA 0.045 62.145 62.100 0.000 0.000 0.980 78 T CB -0.122 68.746 68.868 0.000 0.000 1.036 78 T HN 0.468 nan 8.240 nan 0.000 0.526 79 G N -0.647 108.153 108.800 -0.000 0.000 2.511 79 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 79 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 79 G C 1.774 176.674 174.900 0.001 0.000 1.218 79 G CA 0.979 46.079 45.100 0.000 0.000 0.788 79 G HN 0.890 nan 8.290 nan 0.000 0.560 80 C N 0.122 119.422 119.300 0.001 0.000 2.410 80 C HA -0.021 4.439 4.460 -0.000 0.000 0.281 80 C C 2.875 177.866 174.990 0.002 0.000 1.318 80 C CA 0.672 59.691 59.018 0.001 0.000 1.776 80 C CB -0.803 26.937 27.740 0.001 0.000 1.942 80 C HN 0.420 nan 8.230 nan 0.000 0.508 81 Q N 0.572 120.373 119.800 0.002 0.000 2.020 81 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 81 Q C 2.317 178.318 176.000 0.002 0.000 0.982 81 Q CA 1.481 57.286 55.803 0.003 0.000 0.838 81 Q CB -0.420 28.320 28.738 0.003 0.000 0.899 81 Q HN 0.682 nan 8.270 nan 0.000 0.423 82 L N 0.604 121.828 121.223 0.002 0.000 2.044 82 L HA -0.239 4.100 4.340 -0.000 0.000 0.205 82 L C 2.626 179.497 176.870 0.002 0.000 1.075 82 L CA 1.532 56.373 54.840 0.002 0.000 0.747 82 L CB -0.459 41.601 42.059 0.002 0.000 0.903 82 L HN 0.285 nan 8.230 nan 0.000 0.435 83 Q N -0.264 119.537 119.800 0.001 0.000 2.224 83 Q HA -0.244 4.096 4.340 -0.000 0.000 0.203 83 Q C 1.812 177.812 176.000 0.001 0.000 0.970 83 Q CA 1.705 57.508 55.803 0.001 0.000 0.865 83 Q CB -0.198 28.541 28.738 0.001 0.000 0.922 83 Q HN 0.314 nan 8.270 nan 0.000 0.445 84 E N 0.621 120.822 120.200 0.001 0.000 2.060 84 E HA 0.125 4.474 4.350 -0.000 0.000 0.189 84 E C 1.883 178.484 176.600 0.002 0.000 0.974 84 E CA 1.261 57.662 56.400 0.002 0.000 0.808 84 E CB -0.490 29.211 29.700 0.002 0.000 0.768 84 E HN 0.446 nan 8.360 nan 0.000 0.453 85 A N 0.417 123.238 122.820 0.002 0.000 2.121 85 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 85 A C 2.112 179.698 177.584 0.002 0.000 1.154 85 A CA 1.020 53.059 52.037 0.002 0.000 0.679 85 A CB -0.498 18.503 19.000 0.002 0.000 0.795 85 A HN 0.379 nan 8.150 nan 0.000 0.458 86 L N -1.467 119.757 121.223 0.002 0.000 2.130 86 L HA 0.165 4.505 4.340 -0.000 0.000 0.200 86 L C 2.257 179.127 176.870 0.001 0.000 1.075 86 L CA 0.827 55.668 54.840 0.002 0.000 0.768 86 L CB -0.174 41.886 42.059 0.001 0.000 0.933 86 L HN 0.367 nan 8.230 nan 0.000 0.451 87 L N -0.234 120.990 121.223 0.001 0.000 2.261 87 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 87 L C 2.433 179.303 176.870 0.001 0.000 1.114 87 L CA 1.257 56.098 54.840 0.001 0.000 0.777 87 L CB -0.148 41.911 42.059 0.001 0.000 0.910 87 L HN 0.461 nan 8.230 nan 0.000 0.440 88 Q N -0.748 119.053 119.800 0.001 0.000 2.291 88 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 88 Q C 1.475 177.475 176.000 0.001 0.000 0.976 88 Q CA 1.403 57.206 55.803 0.001 0.000 0.875 88 Q CB 0.055 28.794 28.738 0.001 0.000 0.927 88 Q HN 0.630 nan 8.270 nan 0.000 0.450 89 Q N -0.717 119.084 119.800 0.001 0.000 2.247 89 Q HA 0.036 4.375 4.340 -0.000 0.000 0.204 89 Q C 1.069 177.070 176.000 0.001 0.000 0.872 89 Q CA -0.022 55.782 55.803 0.001 0.000 0.951 89 Q CB 0.597 29.336 28.738 0.001 0.000 1.099 89 Q HN 0.300 nan 8.270 nan 0.000 0.501 90 E N 1.087 121.288 120.200 0.001 0.000 2.127 90 E HA -0.045 4.304 4.350 -0.000 0.000 0.191 90 E C 1.506 178.106 176.600 0.001 0.000 0.964 90 E CA 0.259 56.659 56.400 0.001 0.000 0.832 90 E CB 0.335 30.035 29.700 0.001 0.000 0.790 90 E HN 0.203 nan 8.360 nan 0.000 0.465 91 R N 0.816 121.317 120.500 0.001 0.000 2.096 91 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 91 R C -0.653 175.647 176.300 0.001 0.000 1.127 91 R CA 1.811 57.911 56.100 0.001 0.000 0.968 91 R CB -1.001 29.299 30.300 0.001 0.000 0.861 91 R HN 0.350 nan 8.270 nan 0.000 0.440 92 P HA -0.116 nan 4.420 nan 0.000 0.212 92 P C 1.440 178.740 177.300 0.001 0.000 1.179 92 P CA 1.306 64.406 63.100 0.001 0.000 0.898 92 P CB -0.083 31.618 31.700 0.001 0.000 0.775 93 I N -0.374 120.196 120.570 0.001 0.000 2.194 93 I HA -0.240 3.930 4.170 -0.000 0.000 0.246 93 I C 2.923 179.041 176.117 0.002 0.000 1.093 93 I CA 1.517 62.818 61.300 0.002 0.000 1.355 93 I CB -0.426 37.575 38.000 0.002 0.000 1.046 93 I HN -0.103 nan 8.210 nan 0.000 0.413 94 R N 1.019 121.520 120.500 0.002 0.000 2.189 94 R HA -0.085 4.255 4.340 -0.000 0.000 0.223 94 R C 1.664 177.965 176.300 0.001 0.000 1.092 94 R CA 1.286 57.387 56.100 0.002 0.000 0.989 94 R CB -0.140 30.161 30.300 0.001 0.000 0.876 94 R HN 0.513 nan 8.270 nan 0.000 0.457 95 N N -1.208 117.493 118.700 0.001 0.000 2.405 95 N HA -0.001 4.739 4.740 -0.000 0.000 0.175 95 N C 1.067 176.578 175.510 0.001 0.000 1.051 95 N CA 0.503 53.554 53.050 0.001 0.000 0.899 95 N CB 0.425 38.912 38.487 0.000 0.000 1.000 95 N HN 0.064 nan 8.380 nan 0.000 0.451 96 S N 0.632 116.332 115.700 0.001 0.000 2.368 96 S HA -0.063 4.406 4.470 -0.000 0.000 0.224 96 S C 2.237 176.839 174.600 0.002 0.000 1.029 96 S CA 0.529 58.730 58.200 0.002 0.000 0.988 96 S CB -0.249 62.952 63.200 0.002 0.000 0.838 96 S HN 0.057 nan 8.310 nan 0.000 0.462 97 V N 2.739 122.654 119.914 0.002 0.000 2.231 97 V HA -0.289 3.830 4.120 -0.000 0.000 0.248 97 V C 2.454 178.549 176.094 0.003 0.000 1.054 97 V CA 2.434 64.736 62.300 0.003 0.000 1.015 97 V CB -0.839 30.986 31.823 0.003 0.000 0.638 97 V HN 0.513 nan 8.190 nan 0.000 0.444 98 D N 0.359 120.761 120.400 0.002 0.000 2.127 98 D HA -0.282 4.358 4.640 -0.000 0.000 0.190 98 D C 2.051 178.352 176.300 0.001 0.000 1.000 98 D CA 2.273 56.274 54.000 0.001 0.000 0.839 98 D CB -0.297 40.504 40.800 0.001 0.000 0.955 98 D HN 0.735 nan 8.370 nan 0.000 0.446 99 E N 0.255 120.455 120.200 0.000 0.000 2.077 99 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 99 E C 2.284 178.884 176.600 0.000 0.000 0.989 99 E CA 1.168 57.567 56.400 -0.000 0.000 0.800 99 E CB -0.905 28.794 29.700 -0.001 0.000 0.746 99 E HN 0.444 nan 8.360 nan 0.000 0.452 100 L N 0.585 121.809 121.223 0.002 0.000 2.551 100 L HA 0.025 4.365 4.340 -0.000 0.000 0.228 100 L C 1.626 178.498 176.870 0.005 0.000 1.153 100 L CA 0.283 55.125 54.840 0.004 0.000 0.851 100 L CB -0.430 41.631 42.059 0.005 0.000 0.959 100 L HN 0.210 nan 8.230 nan 0.000 0.451 101 N N -0.015 118.687 118.700 0.004 0.000 2.251 101 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 101 N C 1.363 176.874 175.510 0.002 0.000 1.019 101 N CA 0.853 53.905 53.050 0.004 0.000 0.862 101 N CB -0.123 38.366 38.487 0.004 0.000 0.992 101 N HN 0.345 nan 8.380 nan 0.000 0.429 102 N N 0.924 119.624 118.700 0.000 0.000 2.494 102 N HA -0.024 4.716 4.740 -0.000 0.000 0.182 102 N C 0.441 175.949 175.510 -0.004 0.000 1.076 102 N CA 0.374 53.423 53.050 -0.002 0.000 0.908 102 N CB 0.069 38.554 38.487 -0.003 0.000 0.967 102 N HN 0.344 nan 8.380 nan 0.000 0.449 103 N N 0.169 118.868 118.700 -0.002 0.000 2.204 103 N HA 0.105 4.845 4.740 -0.000 0.000 0.219 103 N C 0.480 175.990 175.510 0.000 0.000 1.151 103 N CA -0.006 53.042 53.050 -0.003 0.000 0.867 103 N CB 0.914 39.400 38.487 -0.002 0.000 1.043 103 N HN -0.077 nan 8.380 nan 0.000 0.516 104 V N -0.405 119.511 119.914 0.003 0.000 3.177 104 V HA 0.114 4.234 4.120 -0.000 0.000 0.219 104 V C 1.366 177.464 176.094 0.007 0.000 1.344 104 V CA 0.298 62.603 62.300 0.009 0.000 1.324 104 V CB 0.369 32.202 31.823 0.016 0.000 1.165 104 V HN -0.062 nan 8.190 nan 0.000 0.510 105 E N 1.406 121.610 120.200 0.006 0.000 2.112 105 E HA 0.061 4.411 4.350 -0.000 0.000 0.190 105 E C 2.099 178.699 176.600 -0.001 0.000 0.979 105 E CA 1.412 57.816 56.400 0.006 0.000 0.814 105 E CB -0.322 29.382 29.700 0.007 0.000 0.762 105 E HN 0.561 nan 8.360 nan 0.000 0.460 106 A N -0.037 122.780 122.820 -0.005 0.000 1.898 106 A HA -0.033 4.286 4.320 -0.000 0.000 0.214 106 A C 2.308 179.880 177.584 -0.019 0.000 1.183 106 A CA 1.085 53.116 52.037 -0.010 0.000 0.622 106 A CB -0.302 18.692 19.000 -0.010 0.000 0.824 106 A HN 0.134 nan 8.150 nan 0.000 0.444 107 V N -0.838 119.064 119.914 -0.021 0.000 2.341 107 V HA -0.032 4.088 4.120 -0.000 0.000 0.240 107 V C 1.797 177.861 176.094 -0.049 0.000 1.035 107 V CA 1.755 64.035 62.300 -0.033 0.000 1.033 107 V CB -0.431 31.377 31.823 -0.026 0.000 0.678 107 V HN 0.397 nan 8.190 nan 0.000 0.464 108 S N 0.734 116.413 115.700 -0.035 0.000 2.767 108 S HA 0.053 4.523 4.470 -0.000 0.000 0.253 108 S C 1.483 176.062 174.600 -0.035 0.000 1.082 108 S CA 0.062 58.234 58.200 -0.046 0.000 1.148 108 S CB -0.104 63.099 63.200 0.004 0.000 0.808 108 S HN 0.763 nan 8.310 nan 0.000 0.466 109 Q N -0.190 119.585 119.800 -0.042 0.000 2.349 109 Q HA 0.137 4.477 4.340 -0.000 0.000 0.209 109 Q C 1.634 177.598 176.000 -0.061 0.000 0.920 109 Q CA 1.064 56.850 55.803 -0.028 0.000 0.901 109 Q CB -1.029 27.702 28.738 -0.012 0.000 1.021 109 Q HN 0.138 nan 8.270 nan 0.000 0.519 110 T N 0.278 114.774 114.554 -0.096 0.000 2.803 110 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 110 T C 1.888 176.444 174.700 -0.241 0.000 1.052 110 T CA 1.493 63.509 62.100 -0.141 0.000 1.136 110 T CB -0.340 68.441 68.868 -0.145 0.000 0.864 110 T HN 0.399 nan 8.240 nan 0.000 0.467 111 S N 0.543 116.046 115.700 -0.329 0.000 2.345 111 S HA -0.057 4.413 4.470 -0.000 0.000 0.219 111 S C 2.415 176.779 174.600 -0.394 0.000 1.031 111 S CA 1.172 58.938 58.200 -0.724 0.000 0.984 111 S CB -0.350 62.395 63.200 -0.758 0.000 0.874 111 S HN 0.474 nan 8.310 nan 0.000 0.451 112 S N 0.775 116.446 115.700 -0.048 0.000 2.419 112 S HA -0.097 4.373 4.470 -0.000 0.000 0.235 112 S C 2.017 176.678 174.600 0.100 0.000 1.019 112 S CA 1.254 59.531 58.200 0.127 0.000 0.982 112 S CB -0.395 62.859 63.200 0.090 0.000 0.789 112 S HN 0.542 nan 8.310 nan 0.000 0.490 113 S N 1.200 116.920 115.700 0.032 0.000 2.315 113 S HA 0.049 4.519 4.470 -0.000 0.000 0.211 113 S C 1.479 176.152 174.600 0.122 0.000 1.029 113 S CA 0.866 59.108 58.200 0.069 0.000 0.956 113 S CB -0.243 62.981 63.200 0.039 0.000 0.918 113 S HN 0.403 nan 8.310 nan 0.000 0.470 114 S N 0.881 116.596 115.700 0.025 0.000 2.618 114 S HA 0.345 4.815 4.470 -0.000 0.000 0.242 114 S C 0.553 175.172 174.600 0.032 0.000 0.972 114 S CA -0.389 57.841 58.200 0.050 0.000 1.004 114 S CB -0.269 62.763 63.200 -0.280 0.000 0.778 114 S HN 0.418 nan 8.310 nan 0.000 0.459 115 F N 2.873 122.839 119.950 0.027 0.000 2.098 115 F HA -0.050 4.477 4.527 -0.000 0.000 0.294 115 F C 2.048 177.838 175.800 -0.018 0.000 1.107 115 F CA 0.992 58.989 58.000 -0.005 0.000 1.234 115 F CB -0.448 38.544 39.000 -0.013 0.000 1.002 115 F HN 0.288 nan 8.300 nan 0.000 0.472 116 Q N -1.253 118.659 119.800 0.187 0.000 2.620 116 Q HA 0.013 4.352 4.340 -0.000 0.000 0.333 116 Q C -0.286 175.707 176.000 -0.012 0.000 1.017 116 Q CA 0.220 56.005 55.803 -0.030 0.000 0.962 116 Q CB -1.226 27.446 28.738 -0.109 0.000 1.297 116 Q HN 0.418 nan 8.270 nan 0.000 0.419 117 Y N 0.643 120.910 120.300 -0.056 0.000 2.506 117 Y HA 0.149 4.698 4.550 -0.000 0.000 0.333 117 Y C 0.616 176.485 175.900 -0.051 0.000 1.177 117 Y CA 0.181 58.260 58.100 -0.035 0.000 1.292 117 Y CB 0.404 38.852 38.460 -0.020 0.000 1.124 117 Y HN 0.412 nan 8.280 nan 0.000 0.507 118 M N -2.158 117.390 119.600 -0.087 0.000 2.615 118 M HA 0.022 4.502 4.480 -0.000 0.000 0.262 118 M C 0.693 176.974 176.300 -0.031 0.000 1.198 118 M CA 0.715 55.954 55.300 -0.102 0.000 1.165 118 M CB -1.026 31.450 32.600 -0.207 0.000 1.310 118 M HN 0.227 nan 8.290 nan 0.000 0.494 119 Y N 1.073 121.374 120.300 0.002 0.000 2.519 119 Y HA 0.155 4.705 4.550 -0.000 0.000 0.311 119 Y C 1.877 177.739 175.900 -0.062 0.000 1.207 119 Y CA 0.307 58.399 58.100 -0.013 0.000 1.289 119 Y CB -1.152 37.300 38.460 -0.013 0.000 1.059 119 Y HN 0.162 nan 8.280 nan 0.000 0.507 120 L N -2.079 119.135 121.223 -0.016 0.000 2.600 120 L HA 0.221 4.560 4.340 -0.000 0.000 0.213 120 L C 0.836 177.668 176.870 -0.062 0.000 1.045 120 L CA 0.388 55.139 54.840 -0.149 0.000 0.863 120 L CB 0.308 42.039 42.059 -0.546 0.000 1.189 120 L HN -0.015 nan 8.230 nan 0.000 0.484 121 L N -0.220 121.003 121.223 0.000 0.000 3.483 121 L HA 0.252 4.592 4.340 -0.000 0.000 0.327 121 L C 1.008 177.936 176.870 0.097 0.000 1.318 121 L CA 0.115 55.004 54.840 0.081 0.000 0.979 121 L CB 0.885 43.016 42.059 0.121 0.000 1.404 121 L HN 0.064 nan 8.230 nan 0.000 0.615 122 K N -0.539 119.917 120.400 0.093 0.000 2.548 122 K HA 0.127 4.447 4.320 -0.000 0.000 0.209 122 K C 0.275 176.993 176.600 0.197 0.000 1.420 122 K CA 0.386 56.712 56.287 0.065 0.000 0.985 122 K CB 0.985 33.475 32.500 -0.016 0.000 1.249 122 K HN 0.073 nan 8.250 nan 0.000 0.557 123 D N 0.722 121.257 120.400 0.226 0.000 2.379 123 D HA 0.029 4.669 4.640 -0.000 0.000 0.208 123 D C 1.242 177.672 176.300 0.216 0.000 1.065 123 D CA 0.046 54.213 54.000 0.279 0.000 0.848 123 D CB 0.577 41.548 40.800 0.285 0.000 0.949 123 D HN 0.038 nan 8.370 nan 0.000 0.509 124 L N 0.854 122.188 121.223 0.185 0.000 2.217 124 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 124 L C 1.833 178.807 176.870 0.174 0.000 1.107 124 L CA 0.963 55.884 54.840 0.135 0.000 0.783 124 L CB -0.397 41.721 42.059 0.099 0.000 0.919 124 L HN 0.302 nan 8.230 nan 0.000 0.442 125 W N -0.073 121.242 121.300 0.026 0.000 2.402 125 W HA -0.157 4.503 4.660 -0.000 0.000 0.286 125 W C 1.729 178.260 176.519 0.020 0.000 1.221 125 W CA 0.850 58.208 57.345 0.022 0.000 1.257 125 W CB -0.697 28.778 29.460 0.025 0.000 1.120 125 W HN 0.267 nan 8.180 nan 0.000 0.551 126 Q N 1.361 121.128 119.800 -0.055 0.000 2.084 126 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 126 Q C 2.005 177.865 176.000 -0.233 0.000 0.978 126 Q CA 1.943 57.592 55.803 -0.257 0.000 0.844 126 Q CB -0.698 28.071 28.738 0.051 0.000 0.898 126 Q HN 0.232 nan 8.270 nan 0.000 0.426 127 K N 0.619 120.958 120.400 -0.102 0.000 2.148 127 K HA -0.122 4.197 4.320 -0.000 0.000 0.204 127 K C 1.832 178.361 176.600 -0.117 0.000 1.050 127 K CA 0.948 57.184 56.287 -0.085 0.000 0.942 127 K CB 0.028 32.508 32.500 -0.032 0.000 0.724 127 K HN -0.129 nan 8.250 nan 0.000 0.446 128 R N -0.210 120.207 120.500 -0.138 0.000 2.317 128 R HA 0.147 4.486 4.340 -0.000 0.000 0.208 128 R C 1.484 177.639 176.300 -0.241 0.000 0.914 128 R CA 0.555 56.576 56.100 -0.131 0.000 1.060 128 R CB 0.136 30.407 30.300 -0.048 0.000 1.015 128 R HN 0.160 nan 8.270 nan 0.000 0.498 129 Q N -0.243 119.295 119.800 -0.437 0.000 2.319 129 Q HA 0.080 4.420 4.340 -0.000 0.000 0.209 129 Q C 0.455 176.231 176.000 -0.373 0.000 0.884 129 Q CA 0.576 56.020 55.803 -0.599 0.000 0.938 129 Q CB 0.545 28.462 28.738 -1.368 0.000 1.098 129 Q HN 0.216 nan 8.270 nan 0.000 0.517 130 K N -0.726 119.516 120.400 -0.263 0.000 2.348 130 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 130 K C 1.893 178.423 176.600 -0.116 0.000 1.052 130 K CA -0.100 56.087 56.287 -0.168 0.000 1.004 130 K CB 0.522 32.940 32.500 -0.137 0.000 0.873 130 K HN 0.039 nan 8.250 nan 0.000 0.523 131 Q N 0.622 120.355 119.800 -0.111 0.000 2.084 131 Q HA -0.135 4.204 4.340 -0.000 0.000 0.202 131 Q C 2.337 178.289 176.000 -0.079 0.000 0.978 131 Q CA 1.971 57.725 55.803 -0.081 0.000 0.844 131 Q CB -0.126 28.569 28.738 -0.072 0.000 0.898 131 Q HN 0.316 nan 8.270 nan 0.000 0.426 132 V N -1.457 118.398 119.914 -0.098 0.000 2.453 132 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 132 V C 2.265 178.313 176.094 -0.076 0.000 1.048 132 V CA 1.859 64.108 62.300 -0.084 0.000 1.049 132 V CB -0.578 31.190 31.823 -0.091 0.000 0.672 132 V HN 0.147 nan 8.190 nan 0.000 0.457 133 K N 0.127 120.470 120.400 -0.095 0.000 2.103 133 K HA -0.219 4.101 4.320 -0.000 0.000 0.204 133 K C 2.034 178.603 176.600 -0.051 0.000 1.052 133 K CA 1.750 57.993 56.287 -0.073 0.000 0.945 133 K CB -0.303 32.143 32.500 -0.090 0.000 0.722 133 K HN 0.525 nan 8.250 nan 0.000 0.443 134 D N 0.645 121.012 120.400 -0.055 0.000 2.144 134 D HA -0.104 4.535 4.640 -0.000 0.000 0.200 134 D C 1.398 177.679 176.300 -0.031 0.000 0.978 134 D CA 1.014 54.991 54.000 -0.039 0.000 0.833 134 D CB -0.082 40.694 40.800 -0.041 0.000 0.961 134 D HN 0.167 nan 8.370 nan 0.000 0.470 135 N N 0.371 119.048 118.700 -0.038 0.000 2.270 135 N HA -0.064 4.675 4.740 -0.000 0.000 0.181 135 N C 1.523 177.017 175.510 -0.026 0.000 1.016 135 N CA 0.566 53.595 53.050 -0.034 0.000 0.870 135 N CB -0.052 38.408 38.487 -0.045 0.000 0.979 135 N HN 0.347 nan 8.380 nan 0.000 0.431 136 E N 0.109 120.292 120.200 -0.027 0.000 2.110 136 E HA -0.082 4.267 4.350 -0.000 0.000 0.193 136 E C 0.957 177.553 176.600 -0.006 0.000 0.988 136 E CA 0.695 57.085 56.400 -0.017 0.000 0.804 136 E CB -0.017 29.672 29.700 -0.019 0.000 0.745 136 E HN 0.360 nan 8.360 nan 0.000 0.458 137 N N 0.154 118.849 118.700 -0.009 0.000 2.381 137 N HA -0.102 4.637 4.740 -0.000 0.000 0.182 137 N C 1.440 176.954 175.510 0.006 0.000 1.025 137 N CA 0.470 53.519 53.050 -0.002 0.000 0.888 137 N CB 0.181 38.665 38.487 -0.006 0.000 0.965 137 N HN 0.010 nan 8.380 nan 0.000 0.438 138 V N -0.001 119.916 119.914 0.005 0.000 3.660 138 V HA 0.082 4.202 4.120 -0.000 0.000 0.276 138 V C 1.588 177.703 176.094 0.034 0.000 1.317 138 V CA 0.296 62.607 62.300 0.019 0.000 1.097 138 V CB 0.249 32.080 31.823 0.012 0.000 0.863 138 V HN -0.058 nan 8.190 nan 0.000 0.438 139 V N 1.892 121.818 119.914 0.021 0.000 2.809 139 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 139 V C 2.033 178.163 176.094 0.059 0.000 1.080 139 V CA 2.023 64.342 62.300 0.031 0.000 1.102 139 V CB -1.015 30.811 31.823 0.005 0.000 0.705 139 V HN 0.912 nan 8.190 nan 0.000 0.475 140 N N -0.240 118.487 118.700 0.045 0.000 2.521 140 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 140 N C 1.333 176.875 175.510 0.054 0.000 1.146 140 N CA 0.543 53.620 53.050 0.046 0.000 0.893 140 N CB 0.155 38.660 38.487 0.030 0.000 0.975 140 N HN 0.444 nan 8.380 nan 0.000 0.451 141 E N 0.277 120.519 120.200 0.070 0.000 2.132 141 E HA 0.022 4.371 4.350 -0.000 0.000 0.193 141 E C 1.242 177.892 176.600 0.084 0.000 0.951 141 E CA 0.323 56.763 56.400 0.066 0.000 0.843 141 E CB -0.305 29.431 29.700 0.060 0.000 0.807 141 E HN 0.333 nan 8.360 nan 0.000 0.467 142 Y N 1.249 121.546 120.300 -0.005 0.000 2.274 142 Y HA -0.230 4.320 4.550 -0.000 0.000 0.290 142 Y C 2.322 178.219 175.900 -0.004 0.000 1.145 142 Y CA 1.636 59.728 58.100 -0.013 0.000 1.203 142 Y CB 0.007 38.456 38.460 -0.018 0.000 0.984 142 Y HN 0.130 nan 8.280 nan 0.000 0.533 143 S N -1.951 113.862 115.700 0.188 0.000 2.368 143 S HA -0.218 4.251 4.470 -0.000 0.000 0.224 143 S C 2.173 176.805 174.600 0.053 0.000 1.029 143 S CA 1.293 59.560 58.200 0.113 0.000 0.988 143 S CB -0.904 62.349 63.200 0.088 0.000 0.838 143 S HN 0.383 nan 8.310 nan 0.000 0.462 144 S N 0.898 116.623 115.700 0.042 0.000 2.489 144 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 144 S C 1.821 176.437 174.600 0.027 0.000 0.995 144 S CA 0.800 59.019 58.200 0.032 0.000 0.934 144 S CB -0.369 62.851 63.200 0.033 0.000 0.771 144 S HN 0.702 nan 8.310 nan 0.000 0.522 145 E N 0.549 120.735 120.200 -0.022 0.000 2.033 145 E HA 0.025 4.374 4.350 -0.000 0.000 0.189 145 E C 1.954 178.565 176.600 0.018 0.000 0.979 145 E CA 0.847 57.232 56.400 -0.026 0.000 0.802 145 E CB -0.156 29.405 29.700 -0.232 0.000 0.763 145 E HN 0.472 nan 8.360 nan 0.000 0.449 146 L N 0.890 122.062 121.223 -0.086 0.000 2.131 146 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 146 L C 2.332 179.238 176.870 0.059 0.000 1.092 146 L CA 1.155 55.984 54.840 -0.019 0.000 0.759 146 L CB -0.395 41.638 42.059 -0.044 0.000 0.903 146 L HN 0.244 nan 8.230 nan 0.000 0.435 147 E N 0.355 120.584 120.200 0.049 0.000 2.077 147 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 147 E C 1.998 178.635 176.600 0.063 0.000 0.989 147 E CA 1.230 57.660 56.400 0.049 0.000 0.800 147 E CB 0.046 29.768 29.700 0.037 0.000 0.746 147 E HN 0.464 nan 8.360 nan 0.000 0.452 148 K N -0.446 120.007 120.400 0.088 0.000 2.361 148 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 148 K C 1.538 178.198 176.600 0.100 0.000 1.039 148 K CA 0.453 56.791 56.287 0.085 0.000 1.001 148 K CB 0.233 32.781 32.500 0.080 0.000 0.795 148 K HN 0.205 nan 8.250 nan 0.000 0.495 149 H N -0.242 118.863 119.070 0.058 0.000 2.586 149 H HA 0.068 4.623 4.556 -0.000 0.000 0.273 149 H C 1.584 176.952 175.328 0.067 0.000 0.997 149 H CA 0.309 56.394 56.048 0.061 0.000 1.177 149 H CB 0.897 30.645 29.762 -0.023 0.000 1.471 149 H HN 0.298 nan 8.280 nan 0.000 0.538 150 Q N 0.858 120.743 119.800 0.142 0.000 2.107 150 Q HA -0.003 4.336 4.340 -0.000 0.000 0.195 150 Q C 2.070 178.112 176.000 0.071 0.000 0.964 150 Q CA 0.215 56.072 55.803 0.091 0.000 0.833 150 Q CB 0.353 29.126 28.738 0.059 0.000 0.910 150 Q HN 0.340 nan 8.270 nan 0.000 0.465 151 L N 0.083 121.331 121.223 0.041 0.000 2.043 151 L HA -0.232 4.107 4.340 -0.000 0.000 0.212 151 L C 2.137 178.982 176.870 -0.040 0.000 1.075 151 L CA 1.436 56.262 54.840 -0.024 0.000 0.752 151 L CB -0.623 41.388 42.059 -0.081 0.000 0.891 151 L HN 0.346 nan 8.230 nan 0.000 0.432 152 Y N -0.556 119.720 120.300 -0.040 0.000 2.465 152 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 152 Y C 1.824 177.711 175.900 -0.022 0.000 1.150 152 Y CA 0.515 58.588 58.100 -0.045 0.000 1.293 152 Y CB 0.223 38.634 38.460 -0.080 0.000 0.977 152 Y HN 0.164 nan 8.280 nan 0.000 0.556 153 I N -1.340 119.304 120.570 0.123 0.000 4.081 153 I HA 0.061 4.230 4.170 -0.000 0.000 0.333 153 I C 0.850 176.992 176.117 0.041 0.000 1.413 153 I CA 0.370 61.716 61.300 0.077 0.000 1.110 153 I CB 0.029 38.074 38.000 0.074 0.000 1.082 153 I HN 0.167 nan 8.210 nan 0.000 0.402 154 D N 0.976 121.390 120.400 0.023 0.000 2.943 154 D HA -0.048 4.591 4.640 -0.000 0.000 0.282 154 D C 1.774 178.068 176.300 -0.011 0.000 1.148 154 D CA 0.794 54.797 54.000 0.005 0.000 1.006 154 D CB 0.508 41.307 40.800 -0.002 0.000 1.168 154 D HN -0.119 nan 8.370 nan 0.000 0.450 155 E N 0.290 120.469 120.200 -0.035 0.000 2.118 155 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 155 E C 2.047 178.626 176.600 -0.036 0.000 0.992 155 E CA 1.103 57.472 56.400 -0.052 0.000 0.804 155 E CB -0.631 29.009 29.700 -0.099 0.000 0.741 155 E HN 0.358 nan 8.360 nan 0.000 0.458 156 T N 1.103 115.646 114.554 -0.019 0.000 2.580 156 T HA -0.135 4.214 4.350 -0.000 0.000 0.265 156 T C 1.987 176.691 174.700 0.007 0.000 1.063 156 T CA 1.895 64.000 62.100 0.009 0.000 1.170 156 T CB -0.195 68.701 68.868 0.048 0.000 0.863 156 T HN 0.009 nan 8.240 nan 0.000 0.418 157 V N 1.206 121.126 119.914 0.010 0.000 3.406 157 V HA 0.077 4.197 4.120 -0.000 0.000 0.263 157 V C 1.682 177.777 176.094 0.003 0.000 1.172 157 V CA 1.116 63.421 62.300 0.009 0.000 1.140 157 V CB -0.528 31.304 31.823 0.014 0.000 0.784 157 V HN 0.497 nan 8.190 nan 0.000 0.467 158 N N -1.096 117.602 118.700 -0.003 0.000 2.317 158 N HA 0.004 4.744 4.740 -0.000 0.000 0.199 158 N C 1.835 177.339 175.510 -0.010 0.000 1.145 158 N CA 0.785 53.831 53.050 -0.005 0.000 0.882 158 N CB 0.697 39.181 38.487 -0.005 0.000 1.113 158 N HN 0.344 nan 8.380 nan 0.000 0.486 159 S N 0.937 116.628 115.700 -0.015 0.000 2.444 159 S HA 0.130 4.600 4.470 -0.000 0.000 0.223 159 S C 1.318 175.908 174.600 -0.017 0.000 1.054 159 S CA 0.630 58.819 58.200 -0.019 0.000 0.947 159 S CB -0.049 63.133 63.200 -0.030 0.000 0.850 159 S HN 0.210 nan 8.310 nan 0.000 0.527 160 N N 1.281 119.971 118.700 -0.016 0.000 2.240 160 N HA 0.169 4.909 4.740 -0.000 0.000 0.187 160 N C 1.751 177.257 175.510 -0.006 0.000 1.042 160 N CA 0.962 54.004 53.050 -0.013 0.000 0.861 160 N CB -0.217 38.262 38.487 -0.013 0.000 1.026 160 N HN 0.179 nan 8.380 nan 0.000 0.441 161 I N 1.860 122.429 120.570 -0.002 0.000 2.113 161 I HA -0.188 3.981 4.170 -0.000 0.000 0.242 161 I C -0.776 175.340 176.117 -0.001 0.000 1.064 161 I CA 1.750 63.051 61.300 0.001 0.000 1.320 161 I CB -2.232 35.770 38.000 0.005 0.000 1.028 161 I HN 0.147 nan 8.210 nan 0.000 0.406 162 P HA -0.099 nan 4.420 nan 0.000 0.221 162 P C 1.564 178.862 177.300 -0.005 0.000 1.150 162 P CA 1.883 64.981 63.100 -0.003 0.000 0.800 162 P CB -0.343 31.355 31.700 -0.003 0.000 0.787 163 T N -4.302 110.249 114.554 -0.006 0.000 2.978 163 T HA -0.030 4.319 4.350 -0.000 0.000 0.262 163 T C 1.878 176.575 174.700 -0.007 0.000 1.063 163 T CA 0.614 62.710 62.100 -0.007 0.000 1.140 163 T CB -1.122 67.741 68.868 -0.010 0.000 0.886 163 T HN 0.062 nan 8.240 nan 0.000 0.470 164 N N 1.072 119.769 118.700 -0.005 0.000 2.084 164 N HA -0.019 4.721 4.740 -0.000 0.000 0.190 164 N C 1.962 177.470 175.510 -0.003 0.000 1.030 164 N CA 1.216 54.264 53.050 -0.004 0.000 0.849 164 N CB -0.219 38.267 38.487 -0.001 0.000 1.012 164 N HN 0.380 nan 8.380 nan 0.000 0.423 165 L N 0.871 122.093 121.223 -0.003 0.000 2.187 165 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 165 L C 2.751 179.619 176.870 -0.004 0.000 1.100 165 L CA 0.727 55.566 54.840 -0.003 0.000 0.765 165 L CB -0.331 41.727 42.059 -0.002 0.000 0.904 165 L HN 0.225 nan 8.230 nan 0.000 0.437 166 R N -0.177 120.320 120.500 -0.005 0.000 2.075 166 R HA -0.099 4.240 4.340 -0.000 0.000 0.226 166 R C 2.210 178.506 176.300 -0.007 0.000 1.114 166 R CA 1.274 57.370 56.100 -0.006 0.000 0.972 166 R CB -0.346 29.950 30.300 -0.006 0.000 0.869 166 R HN 0.244 nan 8.270 nan 0.000 0.437 167 V N 1.083 120.993 119.914 -0.007 0.000 2.307 167 V HA -0.199 3.920 4.120 -0.000 0.000 0.245 167 V C 2.284 178.373 176.094 -0.008 0.000 1.045 167 V CA 1.382 63.678 62.300 -0.008 0.000 1.024 167 V CB -0.278 31.541 31.823 -0.008 0.000 0.651 167 V HN 0.218 nan 8.190 nan 0.000 0.449 168 L N 0.204 121.423 121.223 -0.006 0.000 2.079 168 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 168 L C 2.580 179.446 176.870 -0.006 0.000 1.081 168 L CA 2.384 57.221 54.840 -0.006 0.000 0.752 168 L CB -0.847 41.210 42.059 -0.004 0.000 0.896 168 L HN 0.327 nan 8.230 nan 0.000 0.433 169 R N -1.125 119.372 120.500 -0.006 0.000 2.088 169 R HA -0.212 4.128 4.340 -0.000 0.000 0.232 169 R C 2.609 178.905 176.300 -0.008 0.000 1.136 169 R CA 1.893 57.990 56.100 -0.006 0.000 0.926 169 R CB -0.634 29.663 30.300 -0.006 0.000 0.837 169 R HN 0.354 nan 8.270 nan 0.000 0.429 170 S N 0.050 115.745 115.700 -0.008 0.000 2.372 170 S HA -0.210 4.260 4.470 -0.000 0.000 0.227 170 S C 1.933 176.526 174.600 -0.011 0.000 1.044 170 S CA 1.748 59.943 58.200 -0.010 0.000 1.050 170 S CB -0.356 62.838 63.200 -0.010 0.000 0.901 170 S HN 0.472 nan 8.310 nan 0.000 0.447 171 I N 0.286 120.850 120.570 -0.011 0.000 2.162 171 I HA -0.046 4.124 4.170 -0.000 0.000 0.238 171 I C 2.352 178.462 176.117 -0.013 0.000 1.076 171 I CA 1.409 62.701 61.300 -0.013 0.000 1.353 171 I CB -0.248 37.743 38.000 -0.013 0.000 1.063 171 I HN 0.431 nan 8.210 nan 0.000 0.408 172 L N 0.871 122.088 121.223 -0.011 0.000 2.191 172 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 172 L C 2.338 179.202 176.870 -0.010 0.000 1.103 172 L CA 1.793 56.627 54.840 -0.010 0.000 0.769 172 L CB -0.406 41.649 42.059 -0.008 0.000 0.908 172 L HN 0.367 nan 8.230 nan 0.000 0.438 173 E N -0.243 119.951 120.200 -0.010 0.000 2.047 173 E HA -0.282 4.068 4.350 -0.000 0.000 0.191 173 E C 2.041 178.634 176.600 -0.011 0.000 0.987 173 E CA 1.149 57.543 56.400 -0.009 0.000 0.799 173 E CB -0.253 29.442 29.700 -0.009 0.000 0.752 173 E HN 0.573 nan 8.360 nan 0.000 0.449 174 N N 0.872 119.565 118.700 -0.012 0.000 2.091 174 N HA -0.213 4.526 4.740 -0.000 0.000 0.193 174 N C 1.974 177.475 175.510 -0.016 0.000 1.021 174 N CA 1.463 54.505 53.050 -0.014 0.000 0.862 174 N CB -0.241 38.236 38.487 -0.016 0.000 1.018 174 N HN 0.250 nan 8.380 nan 0.000 0.429 175 L N 0.599 121.812 121.223 -0.016 0.000 1.976 175 L HA -0.112 4.227 4.340 -0.000 0.000 0.209 175 L C 2.793 179.654 176.870 -0.015 0.000 1.071 175 L CA 1.155 55.985 54.840 -0.016 0.000 0.746 175 L CB -0.787 41.262 42.059 -0.016 0.000 0.890 175 L HN 0.226 nan 8.230 nan 0.000 0.432 176 R N 0.408 120.900 120.500 -0.012 0.000 2.178 176 R HA -0.252 4.087 4.340 -0.000 0.000 0.257 176 R C 2.555 178.849 176.300 -0.011 0.000 1.163 176 R CA 2.211 58.305 56.100 -0.011 0.000 0.981 176 R CB -0.157 30.137 30.300 -0.009 0.000 0.878 176 R HN 0.587 nan 8.270 nan 0.000 0.454 177 S N -0.105 115.588 115.700 -0.012 0.000 2.348 177 S HA -0.046 4.424 4.470 -0.000 0.000 0.219 177 S C 1.731 176.323 174.600 -0.014 0.000 1.033 177 S CA 0.451 58.643 58.200 -0.012 0.000 0.974 177 S CB -0.105 63.088 63.200 -0.012 0.000 0.868 177 S HN 0.180 nan 8.310 nan 0.000 0.459 178 K N 1.577 121.967 120.400 -0.016 0.000 2.001 178 K HA 0.011 4.331 4.320 -0.000 0.000 0.214 178 K C 2.134 178.723 176.600 -0.018 0.000 1.050 178 K CA 1.277 57.553 56.287 -0.019 0.000 0.934 178 K CB -1.040 31.447 32.500 -0.021 0.000 0.718 178 K HN 0.406 nan 8.250 nan 0.000 0.443 179 I N 2.439 122.999 120.570 -0.017 0.000 2.335 179 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 179 I C 2.112 178.221 176.117 -0.014 0.000 1.129 179 I CA 1.805 63.096 61.300 -0.016 0.000 1.402 179 I CB -0.304 37.687 38.000 -0.014 0.000 1.069 179 I HN 0.260 nan 8.210 nan 0.000 0.424 180 Q N 1.757 121.549 119.800 -0.012 0.000 2.245 180 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 180 Q C 1.836 177.829 176.000 -0.011 0.000 0.955 180 Q CA 1.693 57.490 55.803 -0.011 0.000 0.870 180 Q CB -0.515 28.217 28.738 -0.010 0.000 0.945 180 Q HN 0.515 nan 8.270 nan 0.000 0.461 181 K N 0.212 120.605 120.400 -0.012 0.000 2.062 181 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 181 K C 1.587 178.180 176.600 -0.012 0.000 1.051 181 K CA 1.024 57.304 56.287 -0.012 0.000 0.941 181 K CB -0.649 31.843 32.500 -0.013 0.000 0.719 181 K HN 0.088 nan 8.250 nan 0.000 0.440 182 L N 2.172 123.386 121.223 -0.014 0.000 1.963 182 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 182 L C 2.538 179.402 176.870 -0.011 0.000 1.076 182 L CA 2.218 57.049 54.840 -0.014 0.000 0.772 182 L CB -1.379 40.670 42.059 -0.017 0.000 0.892 182 L HN 0.500 nan 8.230 nan 0.000 0.435 183 E N -0.806 119.387 120.200 -0.011 0.000 2.279 183 E HA -0.306 4.044 4.350 -0.000 0.000 0.205 183 E C 2.198 178.792 176.600 -0.010 0.000 1.028 183 E CA 1.500 57.894 56.400 -0.011 0.000 0.830 183 E CB 0.033 29.726 29.700 -0.011 0.000 0.736 183 E HN 0.638 nan 8.360 nan 0.000 0.478 184 S N -0.236 115.459 115.700 -0.008 0.000 2.395 184 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 184 S C 1.438 176.039 174.600 0.002 0.000 1.027 184 S CA 1.152 59.349 58.200 -0.005 0.000 0.965 184 S CB -0.007 63.192 63.200 -0.003 0.000 0.812 184 S HN 0.167 nan 8.310 nan 0.000 0.482 185 D N 1.659 122.062 120.400 0.004 0.000 2.103 185 D HA 0.029 4.668 4.640 -0.000 0.000 0.199 185 D C 2.117 178.427 176.300 0.015 0.000 0.978 185 D CA 1.087 55.096 54.000 0.015 0.000 0.829 185 D CB -0.653 40.150 40.800 0.005 0.000 0.981 185 D HN 0.286 nan 8.370 nan 0.000 0.464 186 V N 0.556 120.472 119.914 0.003 0.000 2.469 186 V HA -0.226 3.893 4.120 -0.000 0.000 0.251 186 V C 2.432 178.523 176.094 -0.006 0.000 1.064 186 V CA 1.904 64.204 62.300 0.000 0.000 1.066 186 V CB -0.519 31.300 31.823 -0.006 0.000 0.667 186 V HN 0.225 nan 8.190 nan 0.000 0.461 187 S N -0.273 115.419 115.700 -0.012 0.000 2.406 187 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 187 S C 2.098 176.669 174.600 -0.048 0.000 1.020 187 S CA 1.309 59.492 58.200 -0.028 0.000 0.965 187 S CB -0.181 63.003 63.200 -0.027 0.000 0.798 187 S HN 0.599 nan 8.310 nan 0.000 0.488 188 A N 0.656 123.463 122.820 -0.022 0.000 1.898 188 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 188 A C 2.095 179.663 177.584 -0.027 0.000 1.181 188 A CA 1.735 53.758 52.037 -0.024 0.000 0.620 188 A CB -0.832 18.225 19.000 0.094 0.000 0.819 188 A HN 0.570 nan 8.150 nan 0.000 0.442 189 Q N -1.164 118.670 119.800 0.056 0.000 2.482 189 Q HA 0.095 4.435 4.340 -0.000 0.000 0.209 189 Q C 1.625 177.638 176.000 0.020 0.000 0.961 189 Q CA 0.578 56.441 55.803 0.101 0.000 0.945 189 Q CB -0.195 28.595 28.738 0.086 0.000 1.012 189 Q HN 0.537 nan 8.270 nan 0.000 0.515 190 M N -0.666 118.910 119.600 -0.040 0.000 2.236 190 M HA -0.028 4.452 4.480 -0.000 0.000 0.266 190 M C 1.310 177.547 176.300 -0.104 0.000 1.070 190 M CA 1.105 56.373 55.300 -0.054 0.000 1.137 190 M CB -0.481 32.087 32.600 -0.053 0.000 1.378 190 M HN 0.101 nan 8.290 nan 0.000 0.426 191 E N -0.281 119.782 120.200 -0.228 0.000 2.152 191 E HA -0.091 4.258 4.350 -0.000 0.000 0.192 191 E C 1.556 177.944 176.600 -0.353 0.000 0.983 191 E CA 1.106 57.298 56.400 -0.346 0.000 0.818 191 E CB -0.373 29.016 29.700 -0.519 0.000 0.758 191 E HN 0.497 nan 8.360 nan 0.000 0.467 192 Y N -1.702 118.594 120.300 -0.007 0.000 2.529 192 Y HA 0.065 4.615 4.550 -0.000 0.000 0.290 192 Y C 1.280 177.178 175.900 -0.005 0.000 1.177 192 Y CA -0.191 57.905 58.100 -0.006 0.000 1.305 192 Y CB -0.094 38.361 38.460 -0.009 0.000 1.047 192 Y HN 0.017 nan 8.280 nan 0.000 0.522 193 C N -0.270 119.075 119.300 0.075 0.000 2.668 193 C HA 0.213 4.673 4.460 -0.000 0.000 0.301 193 C C 2.099 177.097 174.990 0.015 0.000 1.351 193 C CA -0.340 58.705 59.018 0.046 0.000 1.757 193 C CB -1.133 26.628 27.740 0.034 0.000 2.179 193 C HN 0.492 nan 8.230 nan 0.000 0.586 194 R N 1.085 121.586 120.500 0.001 0.000 2.093 194 R HA -0.023 4.317 4.340 -0.000 0.000 0.224 194 R C 0.931 177.239 176.300 0.013 0.000 1.101 194 R CA 1.129 57.226 56.100 -0.005 0.000 0.979 194 R CB -0.199 30.086 30.300 -0.025 0.000 0.877 194 R HN 0.576 nan 8.270 nan 0.000 0.441 195 T N 1.002 115.576 114.554 0.032 0.000 2.758 195 T HA 0.418 4.768 4.350 -0.000 0.000 0.285 195 T C -2.286 172.438 174.700 0.040 0.000 0.981 195 T CA -1.956 60.166 62.100 0.036 0.000 0.965 195 T CB 1.905 70.800 68.868 0.045 0.000 0.927 195 T HN -0.067 nan 8.240 nan 0.000 0.448 196 P HA 0.314 nan 4.420 nan 0.000 0.277 196 P C 0.613 177.929 177.300 0.026 0.000 1.240 196 P CA -0.657 62.459 63.100 0.027 0.000 0.798 196 P CB 0.403 32.115 31.700 0.021 0.000 0.979 197 C N 0.725 120.039 119.300 0.024 0.000 2.745 197 C HA 0.601 5.060 4.460 -0.000 0.000 0.387 197 C C 0.649 175.649 174.990 0.016 0.000 1.312 197 C CA -0.221 58.809 59.018 0.019 0.000 2.204 197 C CB -0.830 26.921 27.740 0.018 0.000 2.686 197 C HN 0.743 nan 8.230 nan 0.000 0.705 198 T N -0.372 114.189 114.554 0.012 0.000 2.893 198 T HA 0.697 5.046 4.350 -0.000 0.000 0.293 198 T C -0.408 174.296 174.700 0.006 0.000 1.027 198 T CA -0.375 61.730 62.100 0.009 0.000 0.988 198 T CB 1.048 69.921 68.868 0.008 0.000 1.043 198 T HN 1.793 nan 8.240 nan 0.000 0.461 199 V N -0.975 118.942 119.914 0.006 0.000 3.103 199 V HA 0.955 5.074 4.120 -0.000 0.000 0.318 199 V C -0.470 175.625 176.094 0.001 0.000 1.114 199 V CA -1.030 61.271 62.300 0.002 0.000 1.020 199 V CB 1.986 33.811 31.823 0.004 0.000 1.085 199 V HN 1.017 nan 8.190 nan 0.000 0.446 200 S N 0.476 116.174 115.700 -0.003 0.000 2.652 200 S HA 0.424 4.894 4.470 -0.000 0.000 0.252 200 S C -0.713 173.887 174.600 0.000 0.000 1.219 200 S CA -0.368 57.832 58.200 -0.000 0.000 1.151 200 S CB 0.742 63.941 63.200 -0.002 0.000 1.080 200 S HN 0.901 nan 8.310 nan 0.000 0.481 201 c N 3.720 122.324 118.600 0.006 0.000 2.242 201 c HA 0.396 4.966 4.570 -0.000 0.000 0.317 201 c C 0.456 174.555 174.090 0.013 0.000 1.087 201 c CA -1.451 54.885 56.329 0.012 0.000 1.535 201 c CB -1.181 41.336 42.510 0.012 0.000 1.893 201 c HN 0.698 nan 8.230 nan 0.000 0.426 202 N N 2.702 121.417 118.700 0.025 0.000 2.416 202 N HA 0.197 4.937 4.740 -0.000 0.000 0.265 202 N C 0.058 175.567 175.510 -0.001 0.000 1.195 202 N CA 0.162 53.223 53.050 0.018 0.000 0.943 202 N CB 0.669 39.173 38.487 0.029 0.000 1.115 202 N HN 0.599 nan 8.380 nan 0.000 0.481 203 I N 4.002 124.562 120.570 -0.018 0.000 2.752 203 I HA -0.056 4.114 4.170 -0.000 0.000 0.289 203 I C -1.565 174.513 176.117 -0.064 0.000 1.197 203 I CA -0.863 60.412 61.300 -0.041 0.000 1.432 203 I CB -0.030 37.954 38.000 -0.025 0.000 1.359 203 I HN 0.279 nan 8.210 nan 0.000 0.571 204 P HA 0.073 nan 4.420 nan 0.000 0.271 204 P C 0.760 178.035 177.300 -0.041 0.000 1.218 204 P CA -0.366 62.658 63.100 -0.126 0.000 0.780 204 P CB 0.773 32.320 31.700 -0.254 0.000 0.901 205 V N 2.927 122.824 119.914 -0.028 0.000 2.216 205 V HA -0.155 3.965 4.120 -0.000 0.000 0.242 205 V C 1.569 177.667 176.094 0.007 0.000 1.042 205 V CA 1.395 63.688 62.300 -0.013 0.000 0.991 205 V CB -0.716 31.097 31.823 -0.017 0.000 0.633 205 V HN 0.516 nan 8.190 nan 0.000 0.449 206 V N 1.113 121.041 119.914 0.023 0.000 2.931 206 V HA 0.058 4.177 4.120 -0.000 0.000 0.290 206 V C 0.159 176.285 176.094 0.053 0.000 1.315 206 V CA 1.323 63.644 62.300 0.035 0.000 1.393 206 V CB 0.806 32.660 31.823 0.053 0.000 0.887 206 V HN 0.752 nan 8.190 nan 0.000 0.520 207 S N 4.742 120.447 115.700 0.007 0.000 2.277 207 S HA 0.563 5.033 4.470 -0.000 0.000 0.230 207 S C -0.303 174.266 174.600 -0.051 0.000 0.893 207 S CA -0.103 58.089 58.200 -0.013 0.000 1.044 207 S CB 0.008 63.196 63.200 -0.021 0.000 1.252 207 S HN 1.703 nan 8.310 nan 0.000 0.393 208 G N 2.933 111.690 108.800 -0.072 0.000 2.532 208 G HA2 0.452 4.411 3.960 -0.000 0.000 0.291 208 G HA3 0.452 4.411 3.960 -0.000 0.000 0.291 208 G C 0.478 175.326 174.900 -0.088 0.000 1.349 208 G CA -0.624 44.429 45.100 -0.078 0.000 1.038 208 G HN 0.594 nan 8.290 nan 0.000 0.518 209 K N -0.347 120.007 120.400 -0.076 0.000 2.057 209 K HA 0.074 4.394 4.320 -0.000 0.000 0.207 209 K C 0.589 177.141 176.600 -0.080 0.000 1.049 209 K CA 1.797 58.039 56.287 -0.075 0.000 0.931 209 K CB -0.008 32.456 32.500 -0.060 0.000 0.714 209 K HN 0.701 nan 8.250 nan 0.000 0.440 210 E N -3.137 117.017 120.200 -0.078 0.000 2.449 210 E HA 0.237 4.587 4.350 -0.000 0.000 0.278 210 E C 0.014 176.557 176.600 -0.095 0.000 1.059 210 E CA -0.698 55.662 56.400 -0.068 0.000 0.854 210 E CB 0.108 29.781 29.700 -0.045 0.000 1.465 210 E HN -0.122 nan 8.360 nan 0.000 0.462 211 c N -0.083 118.465 118.600 -0.086 0.000 2.422 211 c HA -0.045 4.525 4.570 -0.000 0.000 0.286 211 c C 2.069 176.053 174.090 -0.177 0.000 1.412 211 c CA 1.488 57.731 56.329 -0.145 0.000 1.786 211 c CB -1.007 41.461 42.510 -0.070 0.000 1.835 211 c HN 0.851 nan 8.230 nan 0.000 0.533 212 E N 1.208 121.323 120.200 -0.142 0.000 2.086 212 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 212 E C 2.109 178.657 176.600 -0.086 0.000 0.975 212 E CA 1.033 57.355 56.400 -0.130 0.000 0.813 212 E CB -0.432 29.204 29.700 -0.106 0.000 0.768 212 E HN 0.489 nan 8.360 nan 0.000 0.457 213 E N 0.192 120.351 120.200 -0.068 0.000 2.204 213 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 213 E C 2.009 178.556 176.600 -0.089 0.000 0.990 213 E CA 0.977 57.347 56.400 -0.050 0.000 0.821 213 E CB -0.051 29.621 29.700 -0.046 0.000 0.750 213 E HN 0.411 nan 8.360 nan 0.000 0.477 214 I N 0.509 120.992 120.570 -0.144 0.000 2.163 214 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 214 I C 2.555 178.553 176.117 -0.199 0.000 1.081 214 I CA 0.521 61.701 61.300 -0.200 0.000 1.353 214 I CB -0.284 37.505 38.000 -0.353 0.000 1.054 214 I HN 0.159 nan 8.210 nan 0.000 0.407 215 I N 1.335 121.777 120.570 -0.212 0.000 2.248 215 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 215 I C 2.511 178.559 176.117 -0.115 0.000 1.107 215 I CA 1.735 62.936 61.300 -0.165 0.000 1.373 215 I CB -0.566 37.343 38.000 -0.152 0.000 1.055 215 I HN 0.077 nan 8.210 nan 0.000 0.418 216 R N -0.011 120.427 120.500 -0.102 0.000 2.148 216 R HA -0.063 4.276 4.340 -0.000 0.000 0.223 216 R C 2.181 178.440 176.300 -0.068 0.000 1.088 216 R CA 0.940 56.991 56.100 -0.082 0.000 0.985 216 R CB -0.174 30.086 30.300 -0.067 0.000 0.880 216 R HN 0.323 nan 8.270 nan 0.000 0.451 217 K N -0.747 119.611 120.400 -0.071 0.000 2.283 217 K HA -0.012 4.308 4.320 -0.000 0.000 0.202 217 K C 0.526 177.093 176.600 -0.055 0.000 1.048 217 K CA 0.934 57.186 56.287 -0.058 0.000 0.948 217 K CB 0.356 32.820 32.500 -0.060 0.000 0.742 217 K HN 0.395 nan 8.250 nan 0.000 0.458 218 G N 0.815 109.574 108.800 -0.067 0.000 2.309 218 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.183 218 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.183 218 G C -0.076 174.800 174.900 -0.040 0.000 1.063 218 G CA -0.352 44.716 45.100 -0.053 0.000 0.768 218 G HN 0.386 nan 8.290 nan 0.000 0.490 219 G N -0.382 108.383 108.800 -0.058 0.000 2.384 219 G HA2 0.604 4.564 3.960 -0.000 0.000 0.316 219 G HA3 0.604 4.564 3.960 -0.000 0.000 0.316 219 G C 0.600 175.495 174.900 -0.009 0.000 1.160 219 G CA -0.167 44.932 45.100 -0.001 0.000 0.936 219 G HN 0.166 nan 8.290 nan 0.000 0.455 220 E N 1.308 121.528 120.200 0.033 0.000 2.216 220 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 220 E C 1.606 178.250 176.600 0.073 0.000 0.973 220 E CA 0.508 56.924 56.400 0.027 0.000 0.851 220 E CB -0.348 29.360 29.700 0.015 0.000 0.804 220 E HN 0.583 nan 8.360 nan 0.000 0.477 221 T N 0.483 115.107 114.554 0.116 0.000 2.916 221 T HA 0.223 4.573 4.350 -0.000 0.000 0.303 221 T C 0.428 175.241 174.700 0.188 0.000 1.025 221 T CA -0.433 61.741 62.100 0.122 0.000 1.142 221 T CB 0.896 69.780 68.868 0.027 0.000 0.947 221 T HN -0.245 nan 8.240 nan 0.000 0.544 222 S N 3.835 119.627 115.700 0.154 0.000 2.443 222 S HA 0.346 4.816 4.470 -0.000 0.000 0.284 222 S C 0.321 174.961 174.600 0.066 0.000 1.206 222 S CA -0.552 57.720 58.200 0.120 0.000 1.074 222 S CB -0.547 62.786 63.200 0.222 0.000 0.963 222 S HN 0.942 nan 8.310 nan 0.000 0.501 223 E N 2.247 122.318 120.200 -0.214 0.000 2.432 223 E HA 0.296 4.646 4.350 -0.000 0.000 0.279 223 E C -1.028 175.300 176.600 -0.454 0.000 1.099 223 E CA -1.049 55.224 56.400 -0.211 0.000 0.859 223 E CB 0.613 30.300 29.700 -0.021 0.000 1.402 223 E HN 0.375 nan 8.360 nan 0.000 0.451 224 M N 2.720 122.211 119.600 -0.182 0.000 2.194 224 M HA 0.272 4.752 4.480 -0.000 0.000 0.347 224 M C -1.733 174.426 176.300 -0.235 0.000 1.439 224 M CA 0.008 55.258 55.300 -0.084 0.000 1.131 224 M CB -0.423 32.216 32.600 0.065 0.000 1.733 224 M HN 0.661 nan 8.290 nan 0.000 0.467 225 Y N 4.027 124.279 120.300 -0.081 0.000 2.593 225 Y HA 0.611 5.160 4.550 -0.000 0.000 0.330 225 Y C -0.377 175.490 175.900 -0.055 0.000 1.223 225 Y CA -0.922 57.138 58.100 -0.067 0.000 1.350 225 Y CB 0.990 39.399 38.460 -0.085 0.000 1.499 225 Y HN 0.652 nan 8.280 nan 0.000 0.554 226 L N 2.683 123.969 121.223 0.105 0.000 2.362 226 L HA 0.691 5.031 4.340 -0.000 0.000 0.271 226 L C -1.024 175.796 176.870 -0.084 0.000 1.002 226 L CA -0.889 53.944 54.840 -0.013 0.000 0.818 226 L CB 1.572 43.616 42.059 -0.026 0.000 1.298 226 L HN 0.562 nan 8.230 nan 0.000 0.420 227 I N 1.176 121.594 120.570 -0.253 0.000 2.894 227 I HA 0.594 4.763 4.170 -0.000 0.000 0.302 227 I C -1.661 174.160 176.117 -0.492 0.000 1.188 227 I CA -0.691 60.426 61.300 -0.304 0.000 1.014 227 I CB 2.340 40.202 38.000 -0.230 0.000 1.242 227 I HN 0.821 nan 8.210 nan 0.000 0.430 228 Q N 5.644 125.267 119.800 -0.294 0.000 2.397 228 Q HA 0.519 4.859 4.340 -0.000 0.000 0.260 228 Q C -2.448 173.471 176.000 -0.135 0.000 1.002 228 Q CA -1.612 54.053 55.803 -0.231 0.000 0.716 228 Q CB 2.263 30.920 28.738 -0.136 0.000 1.258 228 Q HN 0.540 nan 8.270 nan 0.000 0.477 229 P HA 0.214 nan 4.420 nan 0.000 0.266 229 P C -1.233 176.060 177.300 -0.012 0.000 1.381 229 P CA 0.337 63.414 63.100 -0.038 0.000 0.940 229 P CB 0.337 32.040 31.700 0.004 0.000 1.435 230 D N -1.207 119.188 120.400 -0.008 0.000 2.711 230 D HA 0.016 4.656 4.640 -0.000 0.000 0.204 230 D C 0.683 176.985 176.300 0.003 0.000 1.257 230 D CA -0.313 53.689 54.000 0.003 0.000 0.808 230 D CB 0.432 41.245 40.800 0.021 0.000 1.780 230 D HN -0.206 nan 8.370 nan 0.000 0.537 231 S N 1.735 117.433 115.700 -0.003 0.000 2.507 231 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 231 S C 1.213 175.817 174.600 0.007 0.000 0.988 231 S CA 0.737 58.935 58.200 -0.002 0.000 0.944 231 S CB -0.046 63.150 63.200 -0.006 0.000 0.762 231 S HN 0.223 nan 8.310 nan 0.000 0.526 232 S N 0.681 116.390 115.700 0.014 0.000 2.618 232 S HA 0.478 4.947 4.470 -0.000 0.000 0.242 232 S C -0.403 174.218 174.600 0.034 0.000 0.972 232 S CA -0.289 57.924 58.200 0.021 0.000 1.004 232 S CB 0.112 63.323 63.200 0.018 0.000 0.778 232 S HN 0.475 nan 8.310 nan 0.000 0.459 233 V N 2.548 122.488 119.914 0.043 0.000 2.711 233 V HA 0.440 4.560 4.120 -0.000 0.000 0.304 233 V C -0.884 175.251 176.094 0.069 0.000 1.097 233 V CA -1.276 61.068 62.300 0.073 0.000 0.906 233 V CB 1.815 33.710 31.823 0.120 0.000 1.015 233 V HN 0.472 nan 8.190 nan 0.000 0.427 234 K N 6.893 127.339 120.400 0.076 0.000 2.336 234 K HA 0.437 4.757 4.320 -0.000 0.000 0.262 234 K C -2.555 174.081 176.600 0.060 0.000 0.992 234 K CA -1.020 55.301 56.287 0.056 0.000 0.927 234 K CB -0.279 32.256 32.500 0.058 0.000 0.956 234 K HN 0.433 nan 8.250 nan 0.000 0.495 235 P HA 0.032 nan 4.420 nan 0.000 0.272 235 P C -1.307 175.965 177.300 -0.046 0.000 1.254 235 P CA -0.063 62.930 63.100 -0.178 0.000 0.795 235 P CB 0.075 31.690 31.700 -0.141 0.000 1.022 236 Y N -4.192 116.101 120.300 -0.012 0.000 2.662 236 Y HA 0.555 5.105 4.550 -0.000 0.000 0.334 236 Y C -0.575 175.309 175.900 -0.026 0.000 1.185 236 Y CA -1.527 56.559 58.100 -0.023 0.000 1.074 236 Y CB 0.726 39.169 38.460 -0.030 0.000 1.330 236 Y HN 0.132 nan 8.280 nan 0.000 0.458 237 R N 1.134 121.764 120.500 0.218 0.000 2.577 237 R HA 0.836 5.176 4.340 -0.000 0.000 0.269 237 R C -1.391 174.986 176.300 0.129 0.000 1.084 237 R CA -1.151 55.011 56.100 0.103 0.000 1.163 237 R CB 1.753 32.069 30.300 0.026 0.000 1.100 237 R HN 0.599 nan 8.270 nan 0.000 0.547 238 V N 1.391 121.352 119.914 0.079 0.000 2.971 238 V HA 0.089 4.208 4.120 -0.000 0.000 0.281 238 V C -1.736 174.474 176.094 0.194 0.000 1.470 238 V CA -0.803 61.571 62.300 0.123 0.000 0.966 238 V CB 1.781 33.725 31.823 0.202 0.000 1.156 238 V HN 0.699 nan 8.190 nan 0.000 0.441 239 Y N 4.538 124.938 120.300 0.167 0.000 2.304 239 Y HA 0.558 5.107 4.550 -0.000 0.000 0.327 239 Y C 0.208 176.261 175.900 0.255 0.000 1.209 239 Y CA 0.245 58.482 58.100 0.230 0.000 1.299 239 Y CB 1.114 39.744 38.460 0.283 0.000 1.249 239 Y HN 0.733 nan 8.280 nan 0.000 0.519 240 c N 5.360 123.866 118.600 -0.157 0.000 2.322 240 c HA 0.192 4.762 4.570 -0.000 0.000 0.324 240 c C -0.635 173.436 174.090 -0.033 0.000 1.249 240 c CA -1.313 55.019 56.329 0.005 0.000 1.453 240 c CB 0.247 42.705 42.510 -0.087 0.000 2.145 240 c HN 0.726 nan 8.230 nan 0.000 0.466 241 D N 3.378 123.947 120.400 0.280 0.000 2.382 241 D HA 0.119 4.758 4.640 -0.000 0.000 0.259 241 D C 0.591 177.026 176.300 0.224 0.000 1.224 241 D CA 0.099 54.277 54.000 0.298 0.000 0.894 241 D CB 0.657 41.638 40.800 0.302 0.000 1.127 241 D HN 0.400 nan 8.370 nan 0.000 0.487 242 M N 3.311 122.998 119.600 0.146 0.000 2.419 242 M HA 0.111 4.590 4.480 -0.000 0.000 0.252 242 M C 0.302 176.671 176.300 0.116 0.000 1.143 242 M CA -0.074 55.284 55.300 0.096 0.000 0.985 242 M CB -0.375 32.244 32.600 0.033 0.000 1.489 242 M HN 0.244 nan 8.290 nan 0.000 0.484 243 N N 0.493 119.282 118.700 0.149 0.000 2.724 243 N HA 0.029 4.769 4.740 -0.000 0.000 0.226 243 N C 0.614 176.196 175.510 0.120 0.000 1.030 243 N CA 0.769 53.887 53.050 0.114 0.000 1.038 243 N CB -0.128 38.418 38.487 0.099 0.000 1.475 243 N HN 0.292 nan 8.380 nan 0.000 0.472 244 T N 0.696 115.319 114.554 0.115 0.000 2.916 244 T HA 0.077 4.427 4.350 -0.000 0.000 0.303 244 T C 0.067 174.872 174.700 0.175 0.000 1.025 244 T CA -0.046 62.093 62.100 0.065 0.000 1.142 244 T CB 0.544 69.374 68.868 -0.063 0.000 0.947 244 T HN 0.278 nan 8.240 nan 0.000 0.544 245 E N 1.857 122.147 120.200 0.150 0.000 2.539 245 E HA -0.260 4.089 4.350 -0.000 0.000 0.253 245 E C 0.018 176.789 176.600 0.286 0.000 1.145 245 E CA 0.922 57.469 56.400 0.245 0.000 0.738 245 E CB -1.892 28.029 29.700 0.369 0.000 1.308 245 E HN 0.962 nan 8.360 nan 0.000 0.409 246 N N -2.221 116.587 118.700 0.180 0.000 2.861 246 N HA -0.176 4.564 4.740 -0.000 0.000 0.247 246 N C 0.622 176.176 175.510 0.074 0.000 1.117 246 N CA 1.776 54.882 53.050 0.094 0.000 0.703 246 N CB -1.730 36.776 38.487 0.032 0.000 1.052 246 N HN 0.839 nan 8.380 nan 0.000 0.555 247 G N -0.664 108.247 108.800 0.186 0.000 2.692 247 G HA2 0.198 4.158 3.960 -0.000 0.000 0.248 247 G HA3 0.198 4.158 3.960 -0.000 0.000 0.248 247 G C 0.957 175.788 174.900 -0.114 0.000 1.340 247 G CA 1.348 46.526 45.100 0.130 0.000 0.896 247 G HN 1.585 nan 8.290 nan 0.000 0.570 248 G N -2.495 106.227 108.800 -0.131 0.000 2.155 248 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 248 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 248 G C 0.435 175.155 174.900 -0.300 0.000 0.983 248 G CA 1.148 46.098 45.100 -0.250 0.000 0.676 248 G HN 1.386 nan 8.290 nan 0.000 0.528 249 W N 0.657 121.961 121.300 0.006 0.000 2.315 249 W HA 0.573 5.232 4.660 -0.000 0.000 0.316 249 W C 0.463 177.016 176.519 0.056 0.000 1.211 249 W CA -0.195 57.173 57.345 0.038 0.000 1.201 249 W CB 1.264 30.752 29.460 0.046 0.000 1.184 249 W HN 0.055 nan 8.180 nan 0.000 0.544 250 T N 2.999 117.761 114.554 0.347 0.000 2.772 250 T HA 0.346 4.696 4.350 -0.000 0.000 0.288 250 T C -0.229 174.652 174.700 0.301 0.000 0.994 250 T CA -0.722 61.532 62.100 0.257 0.000 0.951 250 T CB 0.838 69.809 68.868 0.171 0.000 0.933 250 T HN 0.052 nan 8.240 nan 0.000 0.447 251 V N 4.489 124.604 119.914 0.335 0.000 2.686 251 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 251 V C 0.889 177.104 176.094 0.202 0.000 1.055 251 V CA 0.147 62.611 62.300 0.274 0.000 1.050 251 V CB 1.098 33.131 31.823 0.350 0.000 0.984 251 V HN 0.899 nan 8.190 nan 0.000 0.482 252 I N 1.296 121.853 120.570 -0.022 0.000 3.812 252 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 252 I C 0.571 176.427 176.117 -0.436 0.000 1.206 252 I CA 0.425 61.625 61.300 -0.166 0.000 1.370 252 I CB 0.686 38.630 38.000 -0.093 0.000 1.328 252 I HN 0.563 nan 8.210 nan 0.000 0.453 253 Q N 1.534 121.161 119.800 -0.287 0.000 2.309 253 Q HA 0.342 4.682 4.340 -0.000 0.000 0.273 253 Q C -1.952 173.943 176.000 -0.175 0.000 1.040 253 Q CA -0.378 55.358 55.803 -0.113 0.000 0.834 253 Q CB 2.664 31.646 28.738 0.407 0.000 1.345 253 Q HN 0.143 nan 8.270 nan 0.000 0.414 254 N N 2.069 120.667 118.700 -0.170 0.000 2.455 254 N HA 0.451 5.191 4.740 -0.000 0.000 0.285 254 N C -1.768 173.697 175.510 -0.075 0.000 1.080 254 N CA -0.339 52.623 53.050 -0.145 0.000 0.932 254 N CB 1.238 39.605 38.487 -0.199 0.000 1.610 254 N HN 0.503 nan 8.380 nan 0.000 0.493 255 R N 1.909 122.329 120.500 -0.134 0.000 2.807 255 R HA 0.500 4.840 4.340 -0.000 0.000 0.276 255 R C -0.036 176.176 176.300 -0.147 0.000 0.979 255 R CA -0.467 55.527 56.100 -0.176 0.000 0.928 255 R CB 1.500 31.680 30.300 -0.200 0.000 1.191 255 R HN 0.887 nan 8.270 nan 0.000 0.471 256 Q N -1.335 118.323 119.800 -0.236 0.000 1.559 256 Q HA 0.109 4.449 4.340 -0.000 0.000 0.164 256 Q C -0.878 174.939 176.000 -0.304 0.000 0.668 256 Q CA -0.051 55.632 55.803 -0.200 0.000 0.705 256 Q CB 0.536 29.189 28.738 -0.142 0.000 1.180 256 Q HN 0.613 nan 8.270 nan 0.000 0.369 257 D N -0.571 119.481 120.400 -0.580 0.000 2.946 257 D HA 0.368 5.007 4.640 -0.000 0.000 0.337 257 D C 0.546 176.361 176.300 -0.808 0.000 1.332 257 D CA -0.149 53.532 54.000 -0.532 0.000 0.935 257 D CB -0.064 40.709 40.800 -0.044 0.000 1.440 257 D HN -0.027 nan 8.370 nan 0.000 0.540 258 G N -1.116 107.600 108.800 -0.140 0.000 2.880 258 G HA2 0.004 3.964 3.960 -0.000 0.000 0.209 258 G HA3 0.004 3.964 3.960 -0.000 0.000 0.209 258 G C 1.067 175.983 174.900 0.027 0.000 1.157 258 G CA 0.617 45.721 45.100 0.007 0.000 0.779 258 G HN 0.500 nan 8.290 nan 0.000 0.539 259 S N -0.504 115.203 115.700 0.011 0.000 2.465 259 S HA 0.027 4.497 4.470 -0.000 0.000 0.241 259 S C 0.656 175.310 174.600 0.091 0.000 1.000 259 S CA 0.524 58.756 58.200 0.053 0.000 0.964 259 S CB -0.110 63.116 63.200 0.043 0.000 0.763 259 S HN 0.062 nan 8.310 nan 0.000 0.512 260 V N 1.383 121.390 119.914 0.156 0.000 2.789 260 V HA 0.421 4.541 4.120 -0.000 0.000 0.311 260 V C -0.624 175.615 176.094 0.241 0.000 1.073 260 V CA -1.195 61.214 62.300 0.182 0.000 0.921 260 V CB 1.888 33.850 31.823 0.230 0.000 1.009 260 V HN 0.092 nan 8.190 nan 0.000 0.426 261 D N 1.408 121.861 120.400 0.089 0.000 2.424 261 D HA 0.245 4.884 4.640 -0.000 0.000 0.244 261 D C -0.356 175.949 176.300 0.009 0.000 1.134 261 D CA 0.286 54.324 54.000 0.063 0.000 0.881 261 D CB 0.860 41.627 40.800 -0.056 0.000 1.191 261 D HN 0.396 nan 8.370 nan 0.000 0.445 262 F N 0.787 120.750 119.950 0.022 0.000 2.805 262 F HA 0.329 4.856 4.527 -0.000 0.000 0.317 262 F C 1.266 177.138 175.800 0.120 0.000 1.146 262 F CA -0.497 57.560 58.000 0.095 0.000 1.265 262 F CB 1.246 40.398 39.000 0.254 0.000 0.992 262 F HN 0.401 nan 8.300 nan 0.000 0.511 263 G N 1.442 110.327 108.800 0.142 0.000 4.649 263 G HA2 0.427 4.387 3.960 -0.000 0.000 0.312 263 G HA3 0.427 4.387 3.960 -0.000 0.000 0.312 263 G C 0.090 175.160 174.900 0.283 0.000 1.403 263 G CA -0.386 44.859 45.100 0.241 0.000 1.248 263 G HN 0.069 nan 8.290 nan 0.000 0.581 264 R N 0.180 120.824 120.500 0.240 0.000 2.902 264 R HA 0.505 4.845 4.340 -0.000 0.000 0.258 264 R C 0.051 176.507 176.300 0.260 0.000 1.071 264 R CA -0.907 55.267 56.100 0.124 0.000 1.024 264 R CB 1.969 32.051 30.300 -0.363 0.000 1.184 264 R HN 0.137 nan 8.270 nan 0.000 0.492 265 K N 0.269 120.699 120.400 0.050 0.000 2.332 265 K HA -0.018 4.302 4.320 -0.000 0.000 0.246 265 K C 1.041 177.823 176.600 0.303 0.000 1.066 265 K CA -0.355 55.929 56.287 -0.006 0.000 0.898 265 K CB 0.418 32.863 32.500 -0.092 0.000 1.192 265 K HN 0.545 nan 8.250 nan 0.000 0.509 266 W N 1.495 122.842 121.300 0.078 0.000 2.332 266 W HA -0.269 4.391 4.660 -0.000 0.000 0.321 266 W C 1.546 178.192 176.519 0.212 0.000 1.219 266 W CA 2.223 59.676 57.345 0.180 0.000 1.277 266 W CB -0.221 29.315 29.460 0.127 0.000 1.161 266 W HN 0.697 nan 8.180 nan 0.000 0.476 267 D N -0.718 119.861 120.400 0.298 0.000 2.178 267 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 267 D C -0.947 175.412 176.300 0.099 0.000 0.974 267 D CA 1.122 55.220 54.000 0.164 0.000 0.841 267 D CB -1.065 39.844 40.800 0.181 0.000 0.953 267 D HN 0.044 nan 8.370 nan 0.000 0.478 268 P HA -0.020 nan 4.420 nan 0.000 0.221 268 P C 0.783 178.234 177.300 0.252 0.000 1.155 268 P CA 0.775 63.953 63.100 0.131 0.000 0.812 268 P CB -0.064 31.657 31.700 0.034 0.000 0.801 269 Y N 0.368 120.784 120.300 0.192 0.000 2.352 269 Y HA -0.120 4.430 4.550 -0.000 0.000 0.292 269 Y C 2.443 178.312 175.900 -0.052 0.000 1.136 269 Y CA 1.425 59.641 58.100 0.193 0.000 1.227 269 Y CB -0.270 38.257 38.460 0.111 0.000 0.991 269 Y HN -0.133 nan 8.280 nan 0.000 0.545 270 K N -0.363 119.972 120.400 -0.108 0.000 2.031 270 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 270 K C 1.790 178.325 176.600 -0.110 0.000 1.049 270 K CA 1.253 57.387 56.287 -0.255 0.000 0.939 270 K CB 0.076 32.419 32.500 -0.261 0.000 0.717 270 K HN 0.128 nan 8.250 nan 0.000 0.438 271 Q N 0.032 119.817 119.800 -0.026 0.000 2.378 271 Q HA 0.110 4.449 4.340 -0.000 0.000 0.205 271 Q C 0.449 176.424 176.000 -0.041 0.000 0.954 271 Q CA 0.949 56.737 55.803 -0.025 0.000 0.901 271 Q CB 0.467 29.214 28.738 0.014 0.000 0.981 271 Q HN 0.532 nan 8.270 nan 0.000 0.483 272 G N 1.542 110.351 108.800 0.013 0.000 2.721 272 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.686 272 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.686 272 G C -0.695 174.238 174.900 0.054 0.000 1.236 272 G CA -0.289 44.792 45.100 -0.032 0.000 0.786 272 G HN 0.253 nan 8.290 nan 0.000 0.616 273 F N -0.022 119.923 119.950 -0.007 0.000 2.645 273 F HA 0.969 5.496 4.527 -0.000 0.000 0.310 273 F C 0.632 176.405 175.800 -0.045 0.000 1.102 273 F CA -0.208 57.747 58.000 -0.076 0.000 0.952 273 F CB 1.422 40.312 39.000 -0.183 0.000 1.326 273 F HN 2.416 nan 8.300 nan 0.000 0.456 274 G N 1.483 110.432 108.800 0.248 0.000 2.352 274 G HA2 0.047 4.007 3.960 -0.000 0.000 0.324 274 G HA3 0.047 4.007 3.960 -0.000 0.000 0.324 274 G C -2.171 172.796 174.900 0.111 0.000 1.249 274 G CA -0.986 44.229 45.100 0.192 0.000 1.053 274 G HN 0.926 nan 8.290 nan 0.000 0.492 275 N N 0.599 119.376 118.700 0.127 0.000 2.479 275 N HA 0.391 5.131 4.740 -0.000 0.000 0.261 275 N C 1.137 176.675 175.510 0.047 0.000 0.979 275 N CA -0.232 52.857 53.050 0.065 0.000 0.930 275 N CB 2.008 40.538 38.487 0.072 0.000 1.172 275 N HN 0.360 nan 8.380 nan 0.000 0.499 276 V N 0.745 120.591 119.914 -0.113 0.000 2.871 276 V HA 0.121 4.241 4.120 -0.000 0.000 0.256 276 V C 0.897 176.977 176.094 -0.024 0.000 1.082 276 V CA 1.068 63.177 62.300 -0.318 0.000 1.105 276 V CB -0.616 30.915 31.823 -0.487 0.000 0.713 276 V HN 0.798 nan 8.190 nan 0.000 0.473 277 A N -0.702 122.136 122.820 0.031 0.000 2.544 277 A HA 0.688 5.008 4.320 -0.000 0.000 0.291 277 A C -0.382 177.229 177.584 0.045 0.000 1.055 277 A CA 0.185 52.273 52.037 0.085 0.000 0.651 277 A CB 1.195 20.310 19.000 0.192 0.000 1.296 277 A HN 0.262 nan 8.150 nan 0.000 0.431 278 T N -1.408 113.167 114.554 0.035 0.000 2.841 278 T HA 0.638 4.988 4.350 -0.000 0.000 0.296 278 T C -0.496 174.192 174.700 -0.020 0.000 1.166 278 T CA -0.813 61.291 62.100 0.007 0.000 1.007 278 T CB 0.863 69.733 68.868 0.003 0.000 1.253 278 T HN 0.710 nan 8.240 nan 0.000 0.511 279 N N 0.647 119.326 118.700 -0.036 0.000 2.492 279 N HA 0.316 5.056 4.740 -0.000 0.000 0.260 279 N C 0.973 176.431 175.510 -0.086 0.000 1.215 279 N CA -0.040 52.967 53.050 -0.071 0.000 0.923 279 N CB 0.731 39.186 38.487 -0.052 0.000 1.092 279 N HN 0.632 nan 8.380 nan 0.000 0.448 280 T N 0.310 114.776 114.554 -0.147 0.000 2.754 280 T HA -0.091 4.259 4.350 -0.000 0.000 0.238 280 T C 0.473 175.124 174.700 -0.081 0.000 1.091 280 T CA 0.881 62.900 62.100 -0.135 0.000 1.358 280 T CB -0.093 68.634 68.868 -0.236 0.000 1.006 280 T HN 0.765 nan 8.240 nan 0.000 0.411 281 D N 0.021 120.373 120.400 -0.081 0.000 2.938 281 D HA 0.334 4.974 4.640 -0.000 0.000 0.369 281 D C 0.646 176.921 176.300 -0.042 0.000 1.301 281 D CA -0.133 53.840 54.000 -0.045 0.000 0.805 281 D CB -0.095 40.688 40.800 -0.029 0.000 1.161 281 D HN 0.651 nan 8.370 nan 0.000 0.474 282 G N 1.382 110.153 108.800 -0.049 0.000 2.221 282 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.265 282 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.265 282 G C 0.235 175.109 174.900 -0.043 0.000 1.041 282 G CA 0.004 45.081 45.100 -0.038 0.000 0.807 282 G HN 0.368 nan 8.290 nan 0.000 0.502 283 K N 0.053 120.402 120.400 -0.084 0.000 2.102 283 K HA 0.216 4.536 4.320 -0.000 0.000 0.244 283 K C 1.691 178.249 176.600 -0.070 0.000 1.021 283 K CA -0.050 56.184 56.287 -0.088 0.000 0.913 283 K CB 0.304 32.674 32.500 -0.216 0.000 1.062 283 K HN 0.461 nan 8.250 nan 0.000 0.485 284 N N 0.223 118.933 118.700 0.018 0.000 2.416 284 N HA -0.106 4.634 4.740 -0.000 0.000 0.177 284 N C 0.110 175.670 175.510 0.082 0.000 1.036 284 N CA 0.578 53.661 53.050 0.055 0.000 0.901 284 N CB -0.064 38.475 38.487 0.085 0.000 0.976 284 N HN 0.526 nan 8.380 nan 0.000 0.444 285 Y N 0.048 120.331 120.300 -0.029 0.000 2.352 285 Y HA 0.568 5.117 4.550 -0.000 0.000 0.339 285 Y C -0.456 175.429 175.900 -0.026 0.000 0.992 285 Y CA -2.092 55.979 58.100 -0.047 0.000 1.100 285 Y CB 0.605 39.016 38.460 -0.081 0.000 1.192 285 Y HN -0.129 nan 8.280 nan 0.000 0.458 286 c N 4.466 123.035 118.600 -0.052 0.000 2.667 286 c HA 0.282 4.852 4.570 -0.000 0.000 0.385 286 c C 1.734 175.814 174.090 -0.016 0.000 1.299 286 c CA 0.534 56.820 56.329 -0.071 0.000 1.554 286 c CB -0.865 41.655 42.510 0.017 0.000 2.275 286 c HN 1.173 nan 8.230 nan 0.000 0.588 287 G N 3.079 111.781 108.800 -0.163 0.000 2.777 287 G HA2 0.153 4.113 3.960 -0.000 0.000 0.211 287 G HA3 0.153 4.113 3.960 -0.000 0.000 0.211 287 G C 0.436 175.457 174.900 0.202 0.000 1.149 287 G CA 0.103 45.224 45.100 0.034 0.000 0.785 287 G HN 0.682 nan 8.290 nan 0.000 0.536 288 L N 2.048 123.336 121.223 0.108 0.000 2.282 288 L HA 0.366 4.706 4.340 -0.000 0.000 0.288 288 L C -2.306 174.548 176.870 -0.027 0.000 1.033 288 L CA -2.192 52.673 54.840 0.041 0.000 0.807 288 L CB 2.290 44.344 42.059 -0.009 0.000 1.209 288 L HN -0.108 nan 8.230 nan 0.000 0.423 289 P HA 0.176 nan 4.420 nan 0.000 0.293 289 P C -0.072 177.137 177.300 -0.152 0.000 1.313 289 P CA -0.126 62.670 63.100 -0.506 0.000 0.787 289 P CB 1.464 32.431 31.700 -1.223 0.000 0.910 290 G N 3.291 112.102 108.800 0.019 0.000 2.588 290 G HA2 0.186 4.146 3.960 -0.000 0.000 0.281 290 G HA3 0.186 4.146 3.960 -0.000 0.000 0.281 290 G C -0.358 174.643 174.900 0.168 0.000 1.236 290 G CA -0.600 44.550 45.100 0.084 0.000 0.969 290 G HN 0.459 nan 8.290 nan 0.000 0.504 291 E N -0.240 120.064 120.200 0.173 0.000 2.344 291 E HA 0.363 4.713 4.350 -0.000 0.000 0.270 291 E C -1.011 175.821 176.600 0.386 0.000 1.021 291 E CA 0.279 56.839 56.400 0.266 0.000 0.887 291 E CB 0.879 30.781 29.700 0.336 0.000 0.997 291 E HN 0.533 nan 8.360 nan 0.000 0.429 292 Y N -0.087 120.369 120.300 0.260 0.000 2.677 292 Y HA 0.446 4.996 4.550 -0.000 0.000 0.334 292 Y C -2.047 173.877 175.900 0.041 0.000 1.196 292 Y CA -1.416 56.709 58.100 0.041 0.000 1.059 292 Y CB 1.217 39.661 38.460 -0.027 0.000 1.315 292 Y HN 0.601 nan 8.280 nan 0.000 0.455 293 W N 5.668 126.678 121.300 -0.483 0.000 2.499 293 W HA 0.559 5.219 4.660 -0.000 0.000 0.320 293 W C -1.586 174.788 176.519 -0.242 0.000 1.010 293 W CA -1.033 55.988 57.345 -0.540 0.000 1.267 293 W CB 1.759 30.501 29.460 -1.197 0.000 1.316 293 W HN 0.844 nan 8.180 nan 0.000 0.431 294 L N 4.678 125.697 121.223 -0.340 0.000 2.492 294 L HA 0.258 4.597 4.340 -0.000 0.000 0.280 294 L C 1.399 177.963 176.870 -0.510 0.000 1.240 294 L CA 1.164 55.839 54.840 -0.276 0.000 0.831 294 L CB 0.300 42.237 42.059 -0.203 0.000 1.100 294 L HN 0.554 nan 8.230 nan 0.000 0.505 295 G N 2.771 111.364 108.800 -0.346 0.000 2.287 295 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.235 295 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.235 295 G C 0.705 175.387 174.900 -0.364 0.000 1.258 295 G CA 0.437 45.364 45.100 -0.289 0.000 0.884 295 G HN 0.969 nan 8.290 nan 0.000 0.518 296 N N 1.086 119.581 118.700 -0.341 0.000 2.006 296 N HA -0.182 4.557 4.740 -0.000 0.000 0.196 296 N C 1.923 177.205 175.510 -0.380 0.000 1.057 296 N CA 1.744 54.465 53.050 -0.550 0.000 0.853 296 N CB -0.056 37.661 38.487 -1.282 0.000 1.051 296 N HN 0.743 nan 8.380 nan 0.000 0.423 297 D N 0.624 120.902 120.400 -0.203 0.000 2.311 297 D HA -0.148 4.492 4.640 -0.000 0.000 0.212 297 D C 1.280 177.580 176.300 0.000 0.000 0.972 297 D CA 1.055 55.141 54.000 0.142 0.000 0.887 297 D CB -0.229 40.719 40.800 0.248 0.000 0.915 297 D HN 0.250 nan 8.370 nan 0.000 0.497 298 K N 0.037 120.366 120.400 -0.118 0.000 2.057 298 K HA -0.024 4.296 4.320 -0.000 0.000 0.207 298 K C 2.102 178.650 176.600 -0.087 0.000 1.049 298 K CA 1.169 57.369 56.287 -0.144 0.000 0.931 298 K CB -0.099 32.208 32.500 -0.321 0.000 0.714 298 K HN 0.258 nan 8.250 nan 0.000 0.440 299 I N 0.698 121.194 120.570 -0.124 0.000 2.353 299 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 299 I C 2.553 178.637 176.117 -0.056 0.000 1.119 299 I CA 0.990 62.241 61.300 -0.083 0.000 1.417 299 I CB -0.478 37.466 38.000 -0.094 0.000 1.078 299 I HN 0.210 nan 8.210 nan 0.000 0.421 300 S N 0.837 116.536 115.700 -0.001 0.000 2.343 300 S HA -0.301 4.168 4.470 -0.000 0.000 0.219 300 S C 2.093 176.681 174.600 -0.020 0.000 1.033 300 S CA 1.230 59.443 58.200 0.023 0.000 1.014 300 S CB -0.694 62.602 63.200 0.160 0.000 0.915 300 S HN 0.438 nan 8.310 nan 0.000 0.435 301 Q N 1.126 120.930 119.800 0.008 0.000 2.112 301 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 301 Q C 2.213 178.206 176.000 -0.011 0.000 0.987 301 Q CA 1.886 57.692 55.803 0.005 0.000 0.858 301 Q CB -0.578 28.175 28.738 0.027 0.000 0.905 301 Q HN 0.728 nan 8.270 nan 0.000 0.420 302 L N 0.620 121.838 121.223 -0.010 0.000 1.994 302 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 302 L C 2.535 179.376 176.870 -0.050 0.000 1.071 302 L CA 2.267 57.103 54.840 -0.006 0.000 0.745 302 L CB -0.641 41.431 42.059 0.021 0.000 0.892 302 L HN 0.408 nan 8.230 nan 0.000 0.431 303 T N -3.328 111.159 114.554 -0.111 0.000 2.915 303 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 303 T C 1.848 176.460 174.700 -0.145 0.000 1.071 303 T CA 0.885 62.872 62.100 -0.188 0.000 1.132 303 T CB -0.404 68.201 68.868 -0.438 0.000 0.878 303 T HN 0.352 nan 8.240 nan 0.000 0.479 304 R N -0.241 120.194 120.500 -0.107 0.000 2.310 304 R HA 0.379 4.719 4.340 -0.000 0.000 0.202 304 R C 2.219 178.484 176.300 -0.059 0.000 0.933 304 R CA 0.041 56.093 56.100 -0.080 0.000 1.054 304 R CB -0.317 29.948 30.300 -0.059 0.000 0.985 304 R HN 0.413 nan 8.270 nan 0.000 0.489 305 M N -0.384 119.183 119.600 -0.055 0.000 2.080 305 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 305 M C 1.120 177.382 176.300 -0.064 0.000 1.068 305 M CA 1.761 57.030 55.300 -0.052 0.000 1.109 305 M CB 0.057 32.625 32.600 -0.053 0.000 1.342 305 M HN 0.285 nan 8.290 nan 0.000 0.405 306 G N -2.014 106.743 108.800 -0.071 0.000 2.490 306 G HA2 0.396 4.356 3.960 -0.000 0.000 0.308 306 G HA3 0.396 4.356 3.960 -0.000 0.000 0.308 306 G C -3.099 171.762 174.900 -0.064 0.000 1.286 306 G CA -0.931 44.124 45.100 -0.074 0.000 0.825 306 G HN -0.134 nan 8.290 nan 0.000 0.479 307 P HA 0.385 nan 4.420 nan 0.000 0.275 307 P C -0.652 176.689 177.300 0.069 0.000 1.276 307 P CA 0.271 63.353 63.100 -0.029 0.000 0.782 307 P CB 1.129 32.793 31.700 -0.060 0.000 0.851 308 T N 3.067 117.661 114.554 0.066 0.000 2.791 308 T HA 0.256 4.605 4.350 -0.000 0.000 0.288 308 T C -0.090 174.783 174.700 0.288 0.000 0.999 308 T CA -0.690 61.498 62.100 0.146 0.000 0.952 308 T CB 0.619 69.527 68.868 0.066 0.000 0.938 308 T HN 0.409 nan 8.240 nan 0.000 0.444 309 E N 3.554 123.982 120.200 0.379 0.000 2.313 309 E HA 0.531 4.881 4.350 -0.000 0.000 0.272 309 E C -0.873 176.028 176.600 0.503 0.000 1.038 309 E CA -0.910 55.775 56.400 0.476 0.000 0.863 309 E CB 0.958 30.984 29.700 0.543 0.000 1.060 309 E HN 0.305 nan 8.360 nan 0.000 0.402 310 L N 3.668 125.165 121.223 0.456 0.000 2.346 310 L HA 0.561 4.901 4.340 -0.000 0.000 0.274 310 L C -1.839 175.094 176.870 0.105 0.000 1.007 310 L CA -1.082 53.926 54.840 0.279 0.000 0.818 310 L CB 1.755 43.764 42.059 -0.084 0.000 1.284 310 L HN 0.703 nan 8.230 nan 0.000 0.424 311 L N 5.659 126.798 121.223 -0.141 0.000 2.409 311 L HA 0.649 4.989 4.340 -0.000 0.000 0.272 311 L C -1.469 175.168 176.870 -0.387 0.000 0.980 311 L CA -0.192 54.355 54.840 -0.488 0.000 0.826 311 L CB 1.650 43.063 42.059 -1.077 0.000 1.268 311 L HN 0.593 nan 8.230 nan 0.000 0.407 312 I N 4.439 124.822 120.570 -0.311 0.000 2.382 312 I HA 0.384 4.554 4.170 -0.000 0.000 0.285 312 I C -0.287 175.594 176.117 -0.393 0.000 1.007 312 I CA -0.495 60.630 61.300 -0.292 0.000 1.142 312 I CB 1.347 39.218 38.000 -0.216 0.000 1.289 312 I HN 0.602 nan 8.210 nan 0.000 0.453 313 E N 7.859 127.841 120.200 -0.364 0.000 2.283 313 E HA 0.748 5.098 4.350 -0.000 0.000 0.271 313 E C -0.513 175.881 176.600 -0.342 0.000 1.031 313 E CA -0.815 55.368 56.400 -0.362 0.000 0.868 313 E CB 1.746 31.264 29.700 -0.304 0.000 1.094 313 E HN 0.557 nan 8.360 nan 0.000 0.401 314 M N -0.275 119.102 119.600 -0.373 0.000 2.426 314 M HA 0.463 4.943 4.480 -0.000 0.000 0.289 314 M C -1.555 174.592 176.300 -0.254 0.000 1.168 314 M CA -0.834 54.293 55.300 -0.289 0.000 0.933 314 M CB 2.327 34.743 32.600 -0.307 0.000 1.750 314 M HN 0.508 nan 8.290 nan 0.000 0.494 315 E N 2.332 122.478 120.200 -0.090 0.000 2.266 315 E HA 0.435 4.785 4.350 -0.000 0.000 0.268 315 E C -1.631 175.046 176.600 0.128 0.000 0.879 315 E CA -0.683 55.725 56.400 0.013 0.000 0.762 315 E CB 2.001 31.659 29.700 -0.071 0.000 1.199 315 E HN 0.782 nan 8.360 nan 0.000 0.422 316 D N 2.357 122.914 120.400 0.263 0.000 2.340 316 D HA 0.032 4.672 4.640 -0.000 0.000 0.251 316 D C 0.336 176.701 176.300 0.109 0.000 1.080 316 D CA -0.530 53.575 54.000 0.175 0.000 0.971 316 D CB 0.385 41.157 40.800 -0.046 0.000 1.137 316 D HN 0.607 nan 8.370 nan 0.000 0.475 317 W N 0.212 121.616 121.300 0.173 0.000 2.538 317 W HA 0.029 4.688 4.660 -0.000 0.000 0.254 317 W C 2.216 178.756 176.519 0.036 0.000 1.249 317 W CA 0.390 57.758 57.345 0.039 0.000 1.253 317 W CB -0.197 29.237 29.460 -0.043 0.000 1.130 317 W HN 0.425 nan 8.180 nan 0.000 0.618 318 K N -0.383 120.163 120.400 0.243 0.000 2.379 318 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 318 K C 1.145 177.799 176.600 0.090 0.000 1.031 318 K CA 0.786 57.159 56.287 0.144 0.000 1.037 318 K CB 0.120 32.688 32.500 0.112 0.000 0.824 318 K HN 0.002 nan 8.250 nan 0.000 0.516 319 G N 1.926 110.771 108.800 0.076 0.000 2.288 319 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.205 319 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.205 319 G C -1.167 173.769 174.900 0.060 0.000 1.071 319 G CA -0.229 44.896 45.100 0.043 0.000 0.788 319 G HN 0.330 nan 8.290 nan 0.000 0.491 320 D N -0.278 120.193 120.400 0.117 0.000 2.457 320 D HA 0.739 5.379 4.640 -0.000 0.000 0.240 320 D C 0.107 176.495 176.300 0.146 0.000 1.041 320 D CA -0.301 53.790 54.000 0.151 0.000 0.861 320 D CB 1.259 42.200 40.800 0.235 0.000 1.394 320 D HN 0.113 nan 8.370 nan 0.000 0.473 321 K N 0.126 120.522 120.400 -0.006 0.000 2.318 321 K HA 0.836 5.156 4.320 -0.000 0.000 0.249 321 K C -1.197 175.185 176.600 -0.364 0.000 0.942 321 K CA -0.995 55.181 56.287 -0.186 0.000 0.808 321 K CB 2.106 34.517 32.500 -0.148 0.000 1.189 321 K HN 0.277 nan 8.250 nan 0.000 0.428 322 V N -1.512 118.051 119.914 -0.585 0.000 2.891 322 V HA 0.681 4.800 4.120 -0.000 0.000 0.304 322 V C -1.400 174.355 176.094 -0.565 0.000 1.171 322 V CA -1.140 60.758 62.300 -0.669 0.000 0.943 322 V CB 1.677 32.762 31.823 -1.231 0.000 1.037 322 V HN 0.755 nan 8.190 nan 0.000 0.427 323 K N 3.010 123.164 120.400 -0.410 0.000 2.238 323 K HA 0.999 5.319 4.320 -0.000 0.000 0.239 323 K C -0.477 175.942 176.600 -0.302 0.000 0.987 323 K CA -0.457 55.616 56.287 -0.357 0.000 0.857 323 K CB 2.428 34.779 32.500 -0.248 0.000 1.154 323 K HN 1.388 nan 8.250 nan 0.000 0.439 324 A N 1.951 124.612 122.820 -0.265 0.000 2.545 324 A HA 0.278 4.597 4.320 -0.000 0.000 0.300 324 A C -1.274 176.254 177.584 -0.093 0.000 1.252 324 A CA -0.732 51.278 52.037 -0.045 0.000 0.753 324 A CB 0.070 19.159 19.000 0.149 0.000 1.144 324 A HN 0.719 nan 8.150 nan 0.000 0.457 325 H N 0.891 119.791 119.070 -0.283 0.000 2.582 325 H HA 0.334 4.890 4.556 -0.000 0.000 0.345 325 H C -1.371 173.766 175.328 -0.318 0.000 1.104 325 H CA 1.215 57.146 56.048 -0.195 0.000 1.390 325 H CB 0.947 30.589 29.762 -0.201 0.000 1.461 325 H HN 0.634 nan 8.280 nan 0.000 0.551 326 Y N 0.516 120.950 120.300 0.222 0.000 2.373 326 Y HA 0.145 4.695 4.550 -0.000 0.000 0.327 326 Y C 1.176 177.237 175.900 0.270 0.000 1.036 326 Y CA -0.549 57.692 58.100 0.234 0.000 1.265 326 Y CB 1.738 40.298 38.460 0.168 0.000 1.108 326 Y HN 0.866 nan 8.280 nan 0.000 0.471 327 G N 1.949 110.960 108.800 0.352 0.000 2.470 327 G HA2 0.128 4.088 3.960 -0.000 0.000 0.220 327 G HA3 0.128 4.088 3.960 -0.000 0.000 0.220 327 G C 0.609 175.634 174.900 0.209 0.000 1.121 327 G CA 0.793 46.101 45.100 0.346 0.000 0.766 327 G HN 0.762 nan 8.290 nan 0.000 0.553 328 G N -1.200 107.722 108.800 0.204 0.000 2.591 328 G HA2 0.524 4.484 3.960 -0.000 0.000 0.306 328 G HA3 0.524 4.484 3.960 -0.000 0.000 0.306 328 G C -1.897 173.158 174.900 0.257 0.000 1.334 328 G CA -0.785 44.392 45.100 0.128 0.000 0.981 328 G HN 0.353 nan 8.290 nan 0.000 0.491 329 F N 1.923 121.885 119.950 0.019 0.000 2.991 329 F HA 0.636 5.162 4.527 -0.000 0.000 0.355 329 F C -0.835 174.927 175.800 -0.063 0.000 1.262 329 F CA -0.938 57.042 58.000 -0.033 0.000 1.127 329 F CB 1.744 40.748 39.000 0.007 0.000 1.447 329 F HN 0.685 nan 8.300 nan 0.000 0.584 330 T N 4.517 118.773 114.554 -0.497 0.000 2.991 330 T HA 0.727 5.076 4.350 -0.000 0.000 0.303 330 T C -2.099 172.372 174.700 -0.382 0.000 1.015 330 T CA -0.555 61.247 62.100 -0.497 0.000 1.007 330 T CB 1.313 70.039 68.868 -0.237 0.000 1.034 330 T HN 0.466 nan 8.240 nan 0.000 0.446 331 V N 5.277 124.980 119.914 -0.351 0.000 2.378 331 V HA 0.471 4.591 4.120 -0.000 0.000 0.288 331 V C 0.019 176.121 176.094 0.013 0.000 1.016 331 V CA -0.852 61.376 62.300 -0.119 0.000 0.840 331 V CB 1.554 33.345 31.823 -0.054 0.000 0.994 331 V HN 0.879 nan 8.190 nan 0.000 0.431 332 Q N 2.678 122.520 119.800 0.070 0.000 2.500 332 Q HA 0.214 4.553 4.340 -0.000 0.000 0.215 332 Q C 0.349 176.382 176.000 0.056 0.000 1.062 332 Q CA -0.147 55.683 55.803 0.045 0.000 0.996 332 Q CB 0.490 29.250 28.738 0.037 0.000 1.239 332 Q HN 0.981 nan 8.270 nan 0.000 0.578 333 N N -1.313 117.376 118.700 -0.019 0.000 2.317 333 N HA -0.060 4.680 4.740 -0.000 0.000 0.245 333 N C 0.641 175.931 175.510 -0.367 0.000 1.294 333 N CA -0.136 52.850 53.050 -0.107 0.000 0.924 333 N CB 0.487 38.946 38.487 -0.046 0.000 1.186 333 N HN 0.646 nan 8.380 nan 0.000 0.495 334 E N -0.610 119.287 120.200 -0.504 0.000 2.204 334 E HA -0.249 4.100 4.350 -0.000 0.000 0.195 334 E C 1.731 178.258 176.600 -0.121 0.000 0.990 334 E CA 1.050 57.146 56.400 -0.507 0.000 0.821 334 E CB -0.298 29.316 29.700 -0.144 0.000 0.750 334 E HN 0.689 nan 8.360 nan 0.000 0.477 335 A N 1.548 124.331 122.820 -0.062 0.000 1.883 335 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 335 A C 1.714 179.313 177.584 0.025 0.000 1.186 335 A CA 1.678 53.713 52.037 -0.003 0.000 0.624 335 A CB -0.407 18.596 19.000 0.003 0.000 0.822 335 A HN 0.271 nan 8.150 nan 0.000 0.444 336 N N -0.096 118.621 118.700 0.029 0.000 2.313 336 N HA 0.104 4.844 4.740 -0.000 0.000 0.207 336 N C -0.678 174.973 175.510 0.235 0.000 1.141 336 N CA 0.323 53.451 53.050 0.130 0.000 0.830 336 N CB 0.136 38.685 38.487 0.103 0.000 1.008 336 N HN 0.495 nan 8.380 nan 0.000 0.481 337 K N 0.251 120.739 120.400 0.148 0.000 3.162 337 K HA -0.215 4.105 4.320 -0.000 0.000 0.268 337 K C -0.936 175.973 176.600 0.514 0.000 1.062 337 K CA 0.114 56.621 56.287 0.367 0.000 0.769 337 K CB -2.361 30.419 32.500 0.466 0.000 1.274 337 K HN 0.228 nan 8.250 nan 0.000 0.478 338 Y N -1.478 119.056 120.300 0.390 0.000 2.973 338 Y HA -0.316 4.234 4.550 -0.000 0.000 0.210 338 Y C 0.970 177.179 175.900 0.514 0.000 1.191 338 Y CA 1.330 59.638 58.100 0.346 0.000 0.991 338 Y CB -1.757 36.815 38.460 0.186 0.000 1.231 338 Y HN 0.539 nan 8.280 nan 0.000 0.504 339 Q N 1.019 121.045 119.800 0.377 0.000 2.286 339 Q HA 0.292 4.632 4.340 -0.000 0.000 0.290 339 Q C 0.283 176.342 176.000 0.099 0.000 1.049 339 Q CA -0.118 55.773 55.803 0.146 0.000 0.923 339 Q CB 0.543 29.220 28.738 -0.101 0.000 1.183 339 Q HN 0.613 nan 8.270 nan 0.000 0.383 340 I N 2.377 122.892 120.570 -0.093 0.000 2.797 340 I HA 0.417 4.586 4.170 -0.000 0.000 0.310 340 I C -0.755 175.209 176.117 -0.254 0.000 0.990 340 I CA -0.034 61.017 61.300 -0.415 0.000 1.228 340 I CB 1.552 38.870 38.000 -1.136 0.000 1.406 340 I HN 0.688 nan 8.210 nan 0.000 0.534 341 S N 5.567 121.145 115.700 -0.203 0.000 2.536 341 S HA 0.740 5.209 4.470 -0.000 0.000 0.271 341 S C -1.116 173.458 174.600 -0.043 0.000 1.134 341 S CA -0.400 57.727 58.200 -0.121 0.000 0.897 341 S CB 1.387 64.535 63.200 -0.087 0.000 1.094 341 S HN 0.789 nan 8.310 nan 0.000 0.473 342 V N 1.552 121.442 119.914 -0.041 0.000 3.074 342 V HA 0.986 5.106 4.120 -0.000 0.000 0.314 342 V C -0.826 175.340 176.094 0.120 0.000 1.117 342 V CA -0.805 61.510 62.300 0.024 0.000 1.014 342 V CB 1.333 33.012 31.823 -0.240 0.000 1.057 342 V HN 1.216 nan 8.190 nan 0.000 0.438 343 N N -0.551 118.304 118.700 0.258 0.000 3.339 343 N HA 0.372 5.112 4.740 -0.000 0.000 0.275 343 N C -1.167 174.533 175.510 0.317 0.000 1.514 343 N CA -0.796 52.422 53.050 0.281 0.000 0.879 343 N CB 0.549 39.118 38.487 0.136 0.000 1.557 343 N HN 0.812 nan 8.380 nan 0.000 0.524 344 K N -1.036 119.492 120.400 0.214 0.000 3.939 344 K HA -0.265 4.055 4.320 -0.000 0.000 0.281 344 K C -1.505 175.172 176.600 0.127 0.000 0.981 344 K CA 0.340 56.719 56.287 0.153 0.000 0.833 344 K CB -1.500 31.070 32.500 0.116 0.000 1.501 344 K HN 0.537 nan 8.250 nan 0.000 0.445 345 Y N 2.455 122.733 120.300 -0.037 0.000 2.336 345 Y HA 0.231 4.780 4.550 -0.000 0.000 0.335 345 Y C 0.484 176.292 175.900 -0.153 0.000 1.046 345 Y CA -0.423 57.508 58.100 -0.282 0.000 1.198 345 Y CB 0.622 38.892 38.460 -0.318 0.000 1.182 345 Y HN 0.290 nan 8.280 nan 0.000 0.502 346 R N 4.188 124.197 120.500 -0.820 0.000 2.912 346 R HA 0.975 5.314 4.340 -0.000 0.000 0.262 346 R C -0.611 174.976 176.300 -1.188 0.000 1.057 346 R CA -0.620 54.970 56.100 -0.849 0.000 0.981 346 R CB 1.780 31.842 30.300 -0.397 0.000 1.201 346 R HN 0.976 nan 8.270 nan 0.000 0.484 347 G N -0.551 107.802 108.800 -0.745 0.000 2.302 347 G HA2 0.058 4.017 3.960 -0.000 0.000 0.276 347 G HA3 0.058 4.017 3.960 -0.000 0.000 0.276 347 G C -0.042 174.753 174.900 -0.176 0.000 1.316 347 G CA -0.081 44.758 45.100 -0.434 0.000 0.988 347 G HN 0.886 nan 8.290 nan 0.000 0.479 348 T N -3.558 110.947 114.554 -0.082 0.000 3.028 348 T HA 0.566 4.915 4.350 -0.000 0.000 0.262 348 T C 2.159 176.802 174.700 -0.094 0.000 0.916 348 T CA 1.480 63.542 62.100 -0.063 0.000 0.873 348 T CB 0.455 69.237 68.868 -0.144 0.000 1.232 348 T HN 1.881 nan 8.240 nan 0.000 0.529 349 A N 1.702 124.438 122.820 -0.141 0.000 2.067 349 A HA 0.582 4.902 4.320 -0.000 0.000 0.219 349 A C 1.636 179.432 177.584 0.353 0.000 1.158 349 A CA 0.950 52.859 52.037 -0.213 0.000 0.661 349 A CB -1.180 17.389 19.000 -0.719 0.000 0.801 349 A HN 1.746 nan 8.150 nan 0.000 0.452 350 G N -1.161 107.891 108.800 0.419 0.000 2.699 350 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 350 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 350 G C -0.276 174.771 174.900 0.245 0.000 1.301 350 G CA -0.102 45.208 45.100 0.351 0.000 0.816 350 G HN 0.661 nan 8.290 nan 0.000 0.595 351 N N 0.669 119.244 118.700 -0.209 0.000 3.271 351 N HA 0.454 5.194 4.740 -0.000 0.000 0.303 351 N C 1.757 177.196 175.510 -0.117 0.000 1.415 351 N CA 0.525 53.296 53.050 -0.466 0.000 1.159 351 N CB -0.132 37.842 38.487 -0.854 0.000 1.432 351 N HN 0.992 nan 8.380 nan 0.000 0.521 352 A N 1.046 123.782 122.820 -0.141 0.000 2.032 352 A HA -0.138 4.182 4.320 -0.000 0.000 0.221 352 A C 1.841 179.382 177.584 -0.072 0.000 1.165 352 A CA 1.048 52.867 52.037 -0.362 0.000 0.645 352 A CB -0.241 18.050 19.000 -1.181 0.000 0.807 352 A HN 0.589 nan 8.150 nan 0.000 0.453 353 L N -1.896 119.345 121.223 0.030 0.000 2.209 353 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 353 L C 2.709 179.597 176.870 0.030 0.000 1.094 353 L CA 0.867 55.759 54.840 0.087 0.000 0.790 353 L CB -0.369 41.581 42.059 -0.181 0.000 0.932 353 L HN 0.380 nan 8.230 nan 0.000 0.447 354 M N -1.042 118.580 119.600 0.036 0.000 2.557 354 M HA 0.005 4.485 4.480 -0.000 0.000 0.262 354 M C 1.193 177.487 176.300 -0.010 0.000 1.168 354 M CA 1.062 56.381 55.300 0.032 0.000 1.194 354 M CB -0.089 32.575 32.600 0.107 0.000 1.311 354 M HN 0.092 nan 8.290 nan 0.000 0.489 355 D N -0.046 120.334 120.400 -0.033 0.000 2.324 355 D HA 0.245 4.885 4.640 -0.000 0.000 0.212 355 D C 0.982 177.240 176.300 -0.070 0.000 0.984 355 D CA 1.016 54.989 54.000 -0.046 0.000 0.885 355 D CB 0.470 41.241 40.800 -0.049 0.000 0.996 355 D HN 0.398 nan 8.370 nan 0.000 0.505 356 G N 0.691 109.433 108.800 -0.097 0.000 2.707 356 G HA2 0.104 4.063 3.960 -0.000 0.000 0.686 356 G HA3 0.104 4.063 3.960 -0.000 0.000 0.686 356 G C -0.030 174.802 174.900 -0.113 0.000 1.315 356 G CA -0.529 44.495 45.100 -0.127 0.000 0.832 356 G HN 0.456 nan 8.290 nan 0.000 0.573 357 A N 0.218 122.965 122.820 -0.121 0.000 2.592 357 A HA 0.470 4.790 4.320 -0.000 0.000 0.250 357 A C 1.888 179.437 177.584 -0.058 0.000 1.017 357 A CA 1.642 53.621 52.037 -0.097 0.000 0.794 357 A CB -0.130 18.809 19.000 -0.102 0.000 0.917 357 A HN 2.409 nan 8.150 nan 0.000 0.515 358 S N 1.723 117.405 115.700 -0.030 0.000 2.428 358 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 358 S C 1.561 176.162 174.600 0.001 0.000 1.014 358 S CA 0.988 59.186 58.200 -0.003 0.000 0.957 358 S CB -0.175 63.043 63.200 0.030 0.000 0.784 358 S HN 0.913 nan 8.310 nan 0.000 0.499 359 Q N 0.707 120.506 119.800 -0.002 0.000 2.398 359 Q HA 0.264 4.603 4.340 -0.000 0.000 0.204 359 Q C 0.778 176.770 176.000 -0.013 0.000 0.932 359 Q CA 0.106 55.910 55.803 0.001 0.000 0.916 359 Q CB -0.390 28.354 28.738 0.010 0.000 1.024 359 Q HN 0.481 nan 8.270 nan 0.000 0.504 360 L N 1.479 122.684 121.223 -0.029 0.000 2.453 360 L HA 0.300 4.640 4.340 -0.000 0.000 0.261 360 L C 0.386 177.237 176.870 -0.032 0.000 1.179 360 L CA -0.234 54.584 54.840 -0.038 0.000 0.813 360 L CB 0.846 42.867 42.059 -0.062 0.000 1.110 360 L HN 0.139 nan 8.230 nan 0.000 0.466 361 M N 0.384 119.966 119.600 -0.030 0.000 2.598 361 M HA 0.301 4.781 4.480 -0.000 0.000 0.317 361 M C 1.022 177.307 176.300 -0.025 0.000 1.179 361 M CA -0.258 55.028 55.300 -0.023 0.000 0.936 361 M CB 1.258 33.849 32.600 -0.016 0.000 1.713 361 M HN 0.806 nan 8.290 nan 0.000 0.460 362 G N 1.765 110.554 108.800 -0.020 0.000 2.850 362 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.353 362 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.353 362 G C 1.018 175.903 174.900 -0.025 0.000 0.983 362 G CA 1.665 46.754 45.100 -0.019 0.000 0.832 362 G HN 0.890 nan 8.290 nan 0.000 0.889 363 E N 0.222 120.409 120.200 -0.022 0.000 2.058 363 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 363 E C 2.411 178.988 176.600 -0.038 0.000 0.997 363 E CA 1.442 57.828 56.400 -0.024 0.000 0.801 363 E CB -0.212 29.478 29.700 -0.017 0.000 0.746 363 E HN 0.552 nan 8.360 nan 0.000 0.450 364 N N 0.539 119.212 118.700 -0.044 0.000 2.244 364 N HA -0.164 4.576 4.740 -0.000 0.000 0.183 364 N C 1.934 177.396 175.510 -0.079 0.000 1.016 364 N CA 0.887 53.899 53.050 -0.063 0.000 0.866 364 N CB -0.367 38.084 38.487 -0.059 0.000 0.980 364 N HN 0.250 nan 8.380 nan 0.000 0.430 365 R N 1.164 121.624 120.500 -0.066 0.000 2.070 365 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 365 R C 2.084 178.331 176.300 -0.087 0.000 1.138 365 R CA 2.088 58.142 56.100 -0.076 0.000 0.936 365 R CB -0.611 29.655 30.300 -0.057 0.000 0.839 365 R HN 0.267 nan 8.270 nan 0.000 0.429 366 T N -0.561 113.953 114.554 -0.067 0.000 3.007 366 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 366 T C 1.921 176.576 174.700 -0.076 0.000 1.107 366 T CA 1.218 63.279 62.100 -0.065 0.000 1.118 366 T CB -0.338 68.507 68.868 -0.040 0.000 0.889 366 T HN 0.531 nan 8.240 nan 0.000 0.506 367 M N 1.606 121.157 119.600 -0.081 0.000 2.686 367 M HA 0.149 4.629 4.480 -0.000 0.000 0.246 367 M C 1.807 178.026 176.300 -0.136 0.000 1.096 367 M CA 1.297 56.544 55.300 -0.089 0.000 1.076 367 M CB -0.797 31.750 32.600 -0.088 0.000 1.504 367 M HN 0.265 nan 8.290 nan 0.000 0.524 368 T N -1.645 112.807 114.554 -0.171 0.000 3.122 368 T HA 0.389 4.739 4.350 -0.000 0.000 0.250 368 T C 0.505 174.954 174.700 -0.418 0.000 1.067 368 T CA -0.421 61.532 62.100 -0.244 0.000 0.966 368 T CB -0.360 68.383 68.868 -0.208 0.000 1.002 368 T HN 0.405 nan 8.240 nan 0.000 0.542 369 I N 2.169 122.549 120.570 -0.317 0.000 2.474 369 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 369 I C 1.357 177.258 176.117 -0.360 0.000 1.048 369 I CA -0.729 60.383 61.300 -0.315 0.000 1.383 369 I CB 0.909 38.827 38.000 -0.137 0.000 1.412 369 I HN 0.248 nan 8.210 nan 0.000 0.531 370 H N 2.859 121.929 119.070 0.000 0.000 2.639 370 H HA 0.120 4.676 4.556 -0.000 0.000 0.267 370 H C 0.534 175.816 175.328 -0.076 0.000 0.958 370 H CA -0.051 55.999 56.048 0.002 0.000 1.221 370 H CB 0.116 29.887 29.762 0.014 0.000 1.446 370 H HN 0.504 nan 8.280 nan 0.000 0.512 371 N N 1.141 119.839 118.700 -0.003 0.000 2.359 371 N HA -0.067 4.673 4.740 -0.000 0.000 0.261 371 N C 1.323 176.792 175.510 -0.067 0.000 1.267 371 N CA 1.434 54.449 53.050 -0.059 0.000 0.864 371 N CB 0.417 38.881 38.487 -0.038 0.000 1.063 371 N HN 0.635 nan 8.380 nan 0.000 0.474 372 G N 2.435 111.167 108.800 -0.114 0.000 2.184 372 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 372 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 372 G C 0.472 175.243 174.900 -0.215 0.000 0.975 372 G CA 0.415 45.425 45.100 -0.151 0.000 0.642 372 G HN 0.506 nan 8.290 nan 0.000 0.536 373 M N -0.196 119.356 119.600 -0.081 0.000 2.207 373 M HA 0.585 5.065 4.480 -0.000 0.000 0.311 373 M C 0.957 177.281 176.300 0.040 0.000 1.127 373 M CA -0.496 54.833 55.300 0.049 0.000 1.181 373 M CB -0.361 32.390 32.600 0.252 0.000 1.409 373 M HN 0.048 nan 8.290 nan 0.000 0.461 374 F N -0.399 119.772 119.950 0.368 0.000 2.377 374 F HA 0.487 5.014 4.527 -0.000 0.000 0.335 374 F C -0.020 176.035 175.800 0.425 0.000 1.099 374 F CA -0.485 57.773 58.000 0.429 0.000 1.072 374 F CB 0.476 39.645 39.000 0.281 0.000 1.417 374 F HN 0.285 nan 8.300 nan 0.000 0.495 375 F N 0.205 120.399 119.950 0.407 0.000 2.422 375 F HA 0.568 5.094 4.527 -0.000 0.000 0.333 375 F C -0.391 175.593 175.800 0.307 0.000 1.095 375 F CA -0.401 57.610 58.000 0.019 0.000 1.038 375 F CB 1.203 40.159 39.000 -0.073 0.000 1.156 375 F HN 0.197 nan 8.300 nan 0.000 0.483 376 S N 2.372 117.910 115.700 -0.271 0.000 2.538 376 S HA 0.641 5.110 4.470 -0.000 0.000 0.288 376 S C -0.583 173.935 174.600 -0.137 0.000 1.108 376 S CA -0.788 57.416 58.200 0.005 0.000 0.971 376 S CB 1.758 65.030 63.200 0.120 0.000 1.041 376 S HN 0.752 nan 8.310 nan 0.000 0.483 377 T N -0.612 113.999 114.554 0.095 0.000 2.910 377 T HA 0.481 4.830 4.350 -0.000 0.000 0.287 377 T C 0.629 175.386 174.700 0.096 0.000 1.050 377 T CA -0.843 61.300 62.100 0.071 0.000 1.011 377 T CB 0.451 69.433 68.868 0.190 0.000 1.195 377 T HN 0.639 nan 8.240 nan 0.000 0.540 378 Y N 0.263 120.610 120.300 0.079 0.000 2.616 378 Y HA 0.151 4.701 4.550 -0.000 0.000 0.296 378 Y C 1.271 177.198 175.900 0.045 0.000 1.154 378 Y CA 0.827 58.953 58.100 0.044 0.000 1.325 378 Y CB -0.504 37.983 38.460 0.046 0.000 1.007 378 Y HN 0.652 nan 8.280 nan 0.000 0.542 379 D N -0.292 119.988 120.400 -0.200 0.000 2.398 379 D HA 0.141 4.780 4.640 -0.000 0.000 0.210 379 D C -0.113 176.136 176.300 -0.085 0.000 1.094 379 D CA -0.119 53.809 54.000 -0.120 0.000 0.839 379 D CB 0.037 40.727 40.800 -0.182 0.000 0.963 379 D HN 0.172 nan 8.370 nan 0.000 0.506 380 R N 1.054 121.515 120.500 -0.065 0.000 2.473 380 R HA 0.239 4.579 4.340 -0.000 0.000 0.303 380 R C -1.651 174.593 176.300 -0.094 0.000 1.002 380 R CA -0.481 55.524 56.100 -0.159 0.000 0.884 380 R CB 0.965 31.048 30.300 -0.362 0.000 1.173 380 R HN -0.164 nan 8.270 nan 0.000 0.464 381 D N 2.653 122.995 120.400 -0.097 0.000 2.411 381 D HA 0.172 4.811 4.640 -0.000 0.000 0.225 381 D C -0.681 175.582 176.300 -0.062 0.000 1.156 381 D CA -0.031 53.944 54.000 -0.042 0.000 0.874 381 D CB 0.728 41.505 40.800 -0.038 0.000 1.034 381 D HN 0.422 nan 8.370 nan 0.000 0.502 382 N N 3.366 122.064 118.700 -0.003 0.000 2.433 382 N HA 0.065 4.804 4.740 -0.000 0.000 0.270 382 N C -0.374 175.212 175.510 0.127 0.000 1.354 382 N CA -0.419 52.621 53.050 -0.016 0.000 0.889 382 N CB 0.603 39.081 38.487 -0.014 0.000 1.285 382 N HN 0.508 nan 8.380 nan 0.000 0.503 383 D N -1.068 119.421 120.400 0.150 0.000 2.447 383 D HA 0.186 4.826 4.640 -0.000 0.000 0.265 383 D C 1.471 177.902 176.300 0.219 0.000 1.250 383 D CA -0.459 53.679 54.000 0.230 0.000 1.046 383 D CB 0.261 41.201 40.800 0.234 0.000 1.095 383 D HN -0.021 nan 8.370 nan 0.000 0.555 384 G N -1.556 107.378 108.800 0.223 0.000 2.511 384 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 384 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 384 G C 0.000 175.035 174.900 0.224 0.000 1.133 384 G CA -0.312 44.898 45.100 0.183 0.000 0.792 384 G HN 0.420 nan 8.290 nan 0.000 0.539 385 W N 2.263 123.586 121.300 0.037 0.000 2.659 385 W HA 0.428 5.088 4.660 -0.000 0.000 0.342 385 W C -0.254 176.265 176.519 -0.001 0.000 1.287 385 W CA -1.262 56.089 57.345 0.010 0.000 1.460 385 W CB -0.311 29.147 29.460 -0.004 0.000 1.503 385 W HN -0.130 nan 8.180 nan 0.000 0.483 386 L N 7.633 128.984 121.223 0.213 0.000 2.288 386 L HA 0.294 4.634 4.340 -0.000 0.000 0.283 386 L C 0.413 177.267 176.870 -0.028 0.000 1.072 386 L CA -0.020 54.857 54.840 0.062 0.000 0.862 386 L CB -0.324 41.771 42.059 0.059 0.000 1.245 386 L HN 0.154 nan 8.230 nan 0.000 0.432 387 T N -1.513 112.963 114.554 -0.130 0.000 2.831 387 T HA 0.225 4.575 4.350 -0.000 0.000 0.287 387 T C 0.647 175.261 174.700 -0.143 0.000 1.070 387 T CA -0.524 61.470 62.100 -0.178 0.000 1.010 387 T CB 2.260 70.924 68.868 -0.340 0.000 1.264 387 T HN 0.256 nan 8.240 nan 0.000 0.532 388 S N -0.437 115.185 115.700 -0.130 0.000 2.460 388 S HA 0.059 4.529 4.470 -0.000 0.000 0.226 388 S C 0.649 175.173 174.600 -0.127 0.000 1.057 388 S CA 0.084 58.219 58.200 -0.107 0.000 0.948 388 S CB -0.372 62.781 63.200 -0.078 0.000 0.822 388 S HN 0.783 nan 8.310 nan 0.000 0.512 389 D N 2.119 122.428 120.400 -0.151 0.000 2.658 389 D HA -0.035 4.604 4.640 -0.000 0.000 0.230 389 D C -1.679 174.510 176.300 -0.185 0.000 1.118 389 D CA -0.722 53.181 54.000 -0.161 0.000 0.848 389 D CB 1.247 41.931 40.800 -0.193 0.000 1.160 389 D HN 0.161 nan 8.370 nan 0.000 0.497 390 P HA -0.029 nan 4.420 nan 0.000 0.217 390 P C 1.314 178.528 177.300 -0.145 0.000 1.154 390 P CA 0.801 63.832 63.100 -0.115 0.000 0.841 390 P CB 0.198 31.859 31.700 -0.065 0.000 0.788 391 R N -0.157 120.253 120.500 -0.149 0.000 2.193 391 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 391 R C 0.456 176.591 176.300 -0.275 0.000 1.110 391 R CA 0.779 56.783 56.100 -0.159 0.000 0.988 391 R CB -0.268 29.971 30.300 -0.102 0.000 0.871 391 R HN 0.056 nan 8.270 nan 0.000 0.458 392 K N 2.136 122.251 120.400 -0.475 0.000 2.278 392 K HA 0.089 4.409 4.320 -0.000 0.000 0.237 392 K C -0.658 175.497 176.600 -0.742 0.000 1.229 392 K CA 0.411 56.033 56.287 -1.110 0.000 1.155 392 K CB 0.296 32.011 32.500 -1.309 0.000 1.590 392 K HN 0.257 nan 8.250 nan 0.000 0.290 393 Q N -0.253 119.438 119.800 -0.183 0.000 2.285 393 Q HA 0.182 4.522 4.340 -0.000 0.000 0.269 393 Q C 0.291 176.466 176.000 0.292 0.000 1.030 393 Q CA -0.562 55.325 55.803 0.140 0.000 0.788 393 Q CB 1.735 30.480 28.738 0.012 0.000 1.266 393 Q HN 0.303 nan 8.270 nan 0.000 0.438 394 c N 0.429 119.185 118.600 0.261 0.000 2.413 394 c HA -0.150 4.420 4.570 -0.000 0.000 0.276 394 c C 2.600 176.401 174.090 -0.483 0.000 1.236 394 c CA 1.568 57.810 56.329 -0.145 0.000 1.735 394 c CB -0.346 41.989 42.510 -0.292 0.000 2.031 394 c HN 0.925 nan 8.230 nan 0.000 0.474 395 S N -0.426 115.012 115.700 -0.437 0.000 2.515 395 S HA -0.084 4.385 4.470 -0.000 0.000 0.231 395 S C 1.930 176.494 174.600 -0.059 0.000 0.987 395 S CA 0.985 58.994 58.200 -0.319 0.000 0.936 395 S CB -0.263 62.908 63.200 -0.047 0.000 0.766 395 S HN 0.532 nan 8.310 nan 0.000 0.528 396 K N 1.296 121.669 120.400 -0.045 0.000 2.001 396 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 396 K C 2.142 178.664 176.600 -0.129 0.000 1.048 396 K CA 1.658 57.906 56.287 -0.065 0.000 0.932 396 K CB -0.328 32.104 32.500 -0.113 0.000 0.715 396 K HN 0.733 nan 8.250 nan 0.000 0.437 397 E N 0.382 120.496 120.200 -0.144 0.000 2.140 397 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 397 E C 0.525 177.171 176.600 0.077 0.000 0.973 397 E CA 0.818 57.181 56.400 -0.062 0.000 0.829 397 E CB -0.099 29.584 29.700 -0.027 0.000 0.781 397 E HN 0.098 nan 8.360 nan 0.000 0.466 398 D N 0.512 120.909 120.400 -0.004 0.000 2.319 398 D HA 0.145 4.785 4.640 -0.000 0.000 0.230 398 D C 0.745 177.105 176.300 0.099 0.000 1.094 398 D CA 0.800 54.836 54.000 0.060 0.000 0.856 398 D CB 0.642 41.488 40.800 0.077 0.000 0.915 398 D HN 0.408 nan 8.370 nan 0.000 0.517 399 G N -0.509 108.352 108.800 0.102 0.000 2.149 399 G HA2 0.015 3.975 3.960 -0.000 0.000 0.235 399 G HA3 0.015 3.975 3.960 -0.000 0.000 0.235 399 G C 0.600 175.619 174.900 0.198 0.000 1.018 399 G CA -0.042 45.142 45.100 0.140 0.000 0.728 399 G HN 0.776 nan 8.290 nan 0.000 0.508 400 G N -2.122 106.824 108.800 0.244 0.000 2.320 400 G HA2 0.690 4.650 3.960 -0.000 0.000 0.296 400 G HA3 0.690 4.650 3.960 -0.000 0.000 0.296 400 G C -0.133 174.906 174.900 0.231 0.000 1.306 400 G CA 0.374 45.669 45.100 0.326 0.000 0.836 400 G HN 1.663 nan 8.290 nan 0.000 0.517 401 G N -0.838 107.880 108.800 -0.136 0.000 2.335 401 G HA2 0.597 4.557 3.960 -0.000 0.000 0.316 401 G HA3 0.597 4.557 3.960 -0.000 0.000 0.316 401 G C -0.773 173.577 174.900 -0.916 0.000 1.129 401 G CA -0.388 44.144 45.100 -0.946 0.000 0.899 401 G HN 0.804 nan 8.290 nan 0.000 0.448 402 W N 2.986 123.393 121.300 -1.489 0.000 2.989 402 W HA 0.280 4.940 4.660 -0.000 0.000 0.344 402 W C -1.147 174.683 176.519 -1.148 0.000 1.233 402 W CA -1.315 55.200 57.345 -1.384 0.000 1.187 402 W CB 1.176 29.814 29.460 -1.369 0.000 1.443 402 W HN 0.447 nan 8.180 nan 0.000 0.573 403 W N 4.337 124.892 121.300 -1.241 0.000 1.319 403 W HA 0.092 4.752 4.660 -0.001 0.000 0.506 403 W C -0.743 175.701 176.519 -0.124 0.000 0.626 403 W CA 0.003 57.020 57.345 -0.547 0.000 2.268 403 W CB -1.137 28.009 29.460 -0.523 0.000 1.536 403 W HN 0.064 nan 8.180 nan 0.000 0.199 404 Y N 1.581 122.005 120.300 0.207 0.000 2.336 404 Y HA -0.046 4.503 4.550 -0.000 0.000 0.331 404 Y C 1.380 177.425 175.900 0.241 0.000 1.211 404 Y CA 0.664 58.958 58.100 0.322 0.000 1.346 404 Y CB 0.575 39.162 38.460 0.212 0.000 1.271 404 Y HN 0.115 nan 8.280 nan 0.000 0.538 405 N N 1.816 120.722 118.700 0.344 0.000 2.307 405 N HA 0.056 4.796 4.740 -0.000 0.000 0.248 405 N C -0.652 174.894 175.510 0.060 0.000 1.322 405 N CA -0.140 53.009 53.050 0.166 0.000 0.861 405 N CB 0.255 38.766 38.487 0.040 0.000 1.303 405 N HN 0.619 nan 8.380 nan 0.000 0.498 406 R N 0.028 120.546 120.500 0.030 0.000 3.157 406 R HA -0.165 4.175 4.340 -0.000 0.000 0.259 406 R C -0.883 175.250 176.300 -0.279 0.000 1.018 406 R CA 0.766 56.730 56.100 -0.227 0.000 0.678 406 R CB -1.944 28.245 30.300 -0.186 0.000 1.225 406 R HN 0.440 nan 8.270 nan 0.000 0.408 407 c N -0.880 117.588 118.600 -0.220 0.000 2.813 407 c HA 0.307 4.876 4.570 -0.000 0.000 0.488 407 c C 0.278 174.569 174.090 0.335 0.000 1.357 407 c CA 0.647 56.990 56.329 0.023 0.000 2.587 407 c CB 0.413 42.869 42.510 -0.091 0.000 3.060 407 c HN 0.798 nan 8.230 nan 0.000 0.534 408 H N -1.550 117.600 119.070 0.133 0.000 3.094 408 H HA 0.525 5.081 4.556 -0.000 0.000 0.346 408 H C -0.048 175.313 175.328 0.055 0.000 1.238 408 H CA 0.205 56.391 56.048 0.230 0.000 1.209 408 H CB 1.164 31.125 29.762 0.332 0.000 1.911 408 H HN 0.026 nan 8.280 nan 0.000 0.540 409 A N 2.226 125.189 122.820 0.238 0.000 1.911 409 A HA 0.534 4.853 4.320 -0.000 0.000 0.212 409 A C 1.042 178.659 177.584 0.055 0.000 1.189 409 A CA 0.994 53.064 52.037 0.055 0.000 0.639 409 A CB -0.212 18.725 19.000 -0.106 0.000 0.839 409 A HN 0.920 nan 8.150 nan 0.000 0.449 410 A N -0.130 122.738 122.820 0.079 0.000 2.343 410 A HA 0.621 4.941 4.320 -0.000 0.000 0.316 410 A C -0.792 176.477 177.584 -0.525 0.000 1.104 410 A CA -0.554 51.327 52.037 -0.259 0.000 0.768 410 A CB 0.577 19.221 19.000 -0.595 0.000 1.213 410 A HN 0.170 nan 8.150 nan 0.000 0.456 411 N N 2.627 120.944 118.700 -0.638 0.000 2.762 411 N HA 0.409 5.149 4.740 -0.000 0.000 0.252 411 N C -2.622 172.466 175.510 -0.703 0.000 1.269 411 N CA -1.863 50.597 53.050 -0.983 0.000 0.799 411 N CB 1.597 39.474 38.487 -1.016 0.000 1.173 411 N HN 0.178 nan 8.380 nan 0.000 0.516 412 P HA 0.180 nan 4.420 nan 0.000 0.245 412 P C -0.029 177.047 177.300 -0.374 0.000 1.206 412 P CA 0.537 63.363 63.100 -0.458 0.000 0.781 412 P CB 0.339 31.838 31.700 -0.336 0.000 0.994 413 N N -0.578 117.881 118.700 -0.403 0.000 2.238 413 N HA 0.096 4.835 4.740 -0.000 0.000 0.222 413 N C 1.030 176.525 175.510 -0.024 0.000 1.133 413 N CA 0.060 53.041 53.050 -0.115 0.000 0.854 413 N CB 0.654 39.253 38.487 0.187 0.000 1.041 413 N HN 0.078 nan 8.380 nan 0.000 0.510 414 G N 0.953 109.672 108.800 -0.136 0.000 2.716 414 G HA2 0.058 4.018 3.960 -0.000 0.000 0.251 414 G HA3 0.058 4.018 3.960 -0.000 0.000 0.251 414 G C 0.380 175.302 174.900 0.036 0.000 1.224 414 G CA -0.414 44.664 45.100 -0.036 0.000 0.891 414 G HN 0.152 nan 8.290 nan 0.000 0.561 415 R N -0.908 119.650 120.500 0.098 0.000 2.539 415 R HA 0.085 4.425 4.340 -0.000 0.000 0.275 415 R C -1.060 175.317 176.300 0.127 0.000 1.077 415 R CA -0.409 55.749 56.100 0.098 0.000 1.097 415 R CB 0.919 31.236 30.300 0.028 0.000 1.018 415 R HN 0.548 nan 8.270 nan 0.000 0.483 416 Y N 2.478 122.764 120.300 -0.023 0.000 2.595 416 Y HA 0.154 4.703 4.550 -0.000 0.000 0.347 416 Y C -0.847 175.087 175.900 0.057 0.000 1.025 416 Y CA -0.377 57.768 58.100 0.075 0.000 1.295 416 Y CB 0.110 38.635 38.460 0.108 0.000 1.147 416 Y HN 0.404 nan 8.280 nan 0.000 0.515 417 Y N 4.728 124.897 120.300 -0.218 0.000 2.336 417 Y HA 0.038 4.588 4.550 -0.000 0.000 0.335 417 Y C 0.175 175.877 175.900 -0.330 0.000 1.046 417 Y CA -0.698 57.276 58.100 -0.210 0.000 1.198 417 Y CB 0.600 38.862 38.460 -0.330 0.000 1.182 417 Y HN 0.586 nan 8.280 nan 0.000 0.502 418 W N 4.276 125.411 121.300 -0.274 0.000 2.303 418 W HA 0.305 4.965 4.660 -0.000 0.000 0.318 418 W C 0.708 176.616 176.519 -1.019 0.000 1.362 418 W CA 1.134 58.139 57.345 -0.567 0.000 1.234 418 W CB 0.848 30.183 29.460 -0.208 0.000 1.248 418 W HN 0.890 nan 8.180 nan 0.000 0.546 419 G N 2.935 110.223 108.800 -2.520 0.000 2.213 419 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.236 419 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.236 419 G C 0.959 174.740 174.900 -1.865 0.000 0.991 419 G CA 0.591 44.624 45.100 -1.778 0.000 0.629 419 G HN 1.721 nan 8.290 nan 0.000 0.517 420 G N -0.826 106.827 108.800 -1.912 0.000 2.900 420 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.223 420 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.223 420 G C 0.420 174.742 174.900 -0.964 0.000 1.293 420 G CA 1.012 45.315 45.100 -1.329 0.000 0.792 420 G HN 1.323 nan 8.290 nan 0.000 0.527 421 Q N 1.171 120.543 119.800 -0.713 0.000 2.313 421 Q HA 0.535 4.875 4.340 -0.000 0.000 0.266 421 Q C -0.069 175.882 176.000 -0.083 0.000 0.989 421 Q CA 0.461 56.078 55.803 -0.310 0.000 0.890 421 Q CB 0.976 29.586 28.738 -0.214 0.000 1.200 421 Q HN 0.931 nan 8.270 nan 0.000 0.396 422 Y N -1.675 118.512 120.300 -0.188 0.000 2.689 422 Y HA 0.751 5.301 4.550 -0.000 0.000 0.333 422 Y C -0.792 175.062 175.900 -0.076 0.000 1.190 422 Y CA -1.188 56.815 58.100 -0.161 0.000 1.063 422 Y CB 1.173 39.352 38.460 -0.469 0.000 1.294 422 Y HN 0.512 nan 8.280 nan 0.000 0.466 423 T N -1.808 112.649 114.554 -0.161 0.000 2.868 423 T HA 0.230 4.580 4.350 -0.000 0.000 0.306 423 T C 0.249 174.743 174.700 -0.342 0.000 1.224 423 T CA -0.450 61.360 62.100 -0.483 0.000 1.012 423 T CB 0.982 69.585 68.868 -0.442 0.000 1.221 423 T HN 1.291 nan 8.240 nan 0.000 0.499 424 W N 2.216 123.129 121.300 -0.644 0.000 2.350 424 W HA -0.094 4.566 4.660 -0.000 0.000 0.289 424 W C 0.681 177.216 176.519 0.026 0.000 1.215 424 W CA 1.863 59.103 57.345 -0.176 0.000 1.236 424 W CB -0.988 28.321 29.460 -0.251 0.000 1.130 424 W HN 0.838 nan 8.180 nan 0.000 0.541 425 D N 0.451 120.172 120.400 -1.132 0.000 2.363 425 D HA -0.092 4.548 4.640 -0.000 0.000 0.226 425 D C 1.829 177.915 176.300 -0.356 0.000 1.020 425 D CA 0.576 53.994 54.000 -0.970 0.000 0.892 425 D CB -0.523 39.456 40.800 -1.368 0.000 0.900 425 D HN 0.288 nan 8.370 nan 0.000 0.531 426 M N 0.642 120.151 119.600 -0.153 0.000 2.447 426 M HA 0.156 4.636 4.480 -0.000 0.000 0.266 426 M C 1.234 177.670 176.300 0.227 0.000 1.120 426 M CA 0.154 55.496 55.300 0.070 0.000 1.166 426 M CB 0.309 33.025 32.600 0.193 0.000 1.349 426 M HN -0.067 nan 8.290 nan 0.000 0.463 427 A N 1.382 124.401 122.820 0.330 0.000 2.520 427 A HA -0.005 4.315 4.320 -0.000 0.000 0.245 427 A C 1.227 178.962 177.584 0.251 0.000 1.072 427 A CA 0.075 52.362 52.037 0.417 0.000 0.761 427 A CB 0.084 19.406 19.000 0.537 0.000 1.004 427 A HN 0.461 nan 8.150 nan 0.000 0.499 428 K N 1.000 121.511 120.400 0.185 0.000 2.211 428 K HA -0.174 4.145 4.320 -0.000 0.000 0.204 428 K C 0.494 177.025 176.600 -0.115 0.000 1.047 428 K CA 1.799 58.089 56.287 0.005 0.000 0.935 428 K CB -0.106 32.367 32.500 -0.044 0.000 0.728 428 K HN 0.878 nan 8.250 nan 0.000 0.452 429 H N -2.059 117.118 119.070 0.179 0.000 2.923 429 H HA 0.167 4.723 4.556 -0.000 0.000 0.268 429 H C 0.925 176.392 175.328 0.231 0.000 1.148 429 H CA 0.656 56.807 56.048 0.173 0.000 1.146 429 H CB 1.585 31.431 29.762 0.140 0.000 1.607 429 H HN 0.518 nan 8.280 nan 0.000 0.566 430 G N 1.356 110.392 108.800 0.393 0.000 2.253 430 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.251 430 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.251 430 G C 1.032 176.233 174.900 0.501 0.000 0.998 430 G CA 0.730 46.115 45.100 0.475 0.000 0.621 430 G HN 0.545 nan 8.290 nan 0.000 0.524 431 T N -0.401 114.381 114.554 0.379 0.000 2.729 431 T HA 0.446 4.796 4.350 -0.000 0.000 0.298 431 T C 0.571 175.360 174.700 0.149 0.000 1.013 431 T CA 0.628 62.874 62.100 0.243 0.000 0.957 431 T CB 0.876 69.840 68.868 0.161 0.000 1.130 431 T HN 0.428 nan 8.240 nan 0.000 0.526 432 D N 0.029 120.327 120.400 -0.170 0.000 3.060 432 D HA 0.114 4.754 4.640 -0.000 0.000 0.245 432 D C -0.194 176.147 176.300 0.069 0.000 1.274 432 D CA -0.670 53.086 54.000 -0.406 0.000 0.864 432 D CB -0.860 39.463 40.800 -0.795 0.000 1.073 432 D HN 0.633 nan 8.370 nan 0.000 0.473 433 D N 0.058 120.554 120.400 0.160 0.000 2.443 433 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 433 D C 0.860 177.182 176.300 0.036 0.000 1.136 433 D CA 0.009 54.089 54.000 0.134 0.000 0.879 433 D CB 1.009 41.932 40.800 0.204 0.000 1.195 433 D HN 0.386 nan 8.370 nan 0.000 0.443 434 G N -0.050 108.749 108.800 -0.002 0.000 2.375 434 G HA2 0.044 4.004 3.960 -0.000 0.000 0.663 434 G HA3 0.044 4.004 3.960 -0.000 0.000 0.663 434 G C -0.731 174.117 174.900 -0.086 0.000 1.391 434 G CA -0.576 44.490 45.100 -0.057 0.000 0.949 434 G HN 0.576 nan 8.290 nan 0.000 0.646 435 V N 0.795 120.691 119.914 -0.030 0.000 2.399 435 V HA 0.254 4.373 4.120 -0.000 0.000 0.245 435 V C 0.828 176.959 176.094 0.061 0.000 1.089 435 V CA 0.093 62.384 62.300 -0.015 0.000 1.196 435 V CB -0.199 31.653 31.823 0.048 0.000 1.221 435 V HN 0.705 nan 8.190 nan 0.000 0.482 436 V N 4.316 124.233 119.914 0.005 0.000 2.459 436 V HA 0.426 4.545 4.120 -0.000 0.000 0.295 436 V C -0.301 175.920 176.094 0.211 0.000 1.029 436 V CA -0.756 61.615 62.300 0.120 0.000 0.874 436 V CB 2.249 34.112 31.823 0.067 0.000 0.985 436 V HN 0.877 nan 8.190 nan 0.000 0.438 437 W N 6.466 127.838 121.300 0.119 0.000 2.466 437 W HA 0.370 5.030 4.660 -0.000 0.000 0.303 437 W C 0.350 176.977 176.519 0.180 0.000 0.999 437 W CA -0.679 56.754 57.345 0.146 0.000 1.437 437 W CB 1.850 31.418 29.460 0.180 0.000 1.274 437 W HN 0.631 nan 8.180 nan 0.000 0.417 438 M N 2.414 122.016 119.600 0.003 0.000 2.374 438 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 438 M C 1.288 177.637 176.300 0.082 0.000 1.067 438 M CA 1.264 56.589 55.300 0.041 0.000 1.103 438 M CB -0.077 32.502 32.600 -0.036 0.000 1.402 438 M HN 0.338 nan 8.290 nan 0.000 0.444 439 N N -1.167 117.576 118.700 0.072 0.000 2.467 439 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 439 N C 1.156 176.909 175.510 0.405 0.000 1.106 439 N CA 0.612 53.775 53.050 0.189 0.000 0.892 439 N CB 0.260 38.833 38.487 0.143 0.000 0.969 439 N HN 0.442 nan 8.380 nan 0.000 0.454 440 W N 1.094 122.563 121.300 0.282 0.000 3.033 440 W HA 0.253 4.912 4.660 -0.000 0.000 0.250 440 W C 1.201 177.769 176.519 0.082 0.000 1.105 440 W CA 0.708 58.164 57.345 0.187 0.000 1.655 440 W CB 0.430 30.010 29.460 0.200 0.000 1.001 440 W HN -0.315 nan 8.180 nan 0.000 0.653 441 K N 0.000 120.477 120.400 0.127 0.000 2.517 441 K HA 0.351 4.671 4.320 -0.000 0.000 0.210 441 K C 0.457 177.086 176.600 0.048 0.000 1.166 441 K CA 0.691 56.906 56.287 -0.121 0.000 1.030 441 K CB 0.918 33.239 32.500 -0.298 0.000 0.974 441 K HN 0.121 nan 8.250 nan 0.000 0.585 442 G N 1.336 110.193 108.800 0.095 0.000 2.846 442 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.660 442 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.660 442 G C 0.696 175.620 174.900 0.040 0.000 1.464 442 G CA -0.000 45.143 45.100 0.073 0.000 0.891 442 G HN 0.002 nan 8.290 nan 0.000 0.552 443 S N -0.549 115.086 115.700 -0.109 0.000 2.407 443 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 443 S C 1.205 175.462 174.600 -0.572 0.000 1.036 443 S CA 2.674 60.620 58.200 -0.423 0.000 1.013 443 S CB -0.212 62.502 63.200 -0.812 0.000 0.820 443 S HN 0.519 nan 8.310 nan 0.000 0.476 444 W N 0.059 121.317 121.300 -0.071 0.000 2.817 444 W HA 0.471 5.130 4.660 -0.001 0.000 0.433 444 W C -0.428 176.032 176.519 -0.098 0.000 0.838 444 W CA -0.714 56.360 57.345 -0.452 0.000 2.356 444 W CB 0.137 29.309 29.460 -0.479 0.000 1.216 444 W HN 0.096 nan 8.180 nan 0.000 0.793 445 Y N 1.010 121.470 120.300 0.266 0.000 2.354 445 Y HA 0.470 5.019 4.550 -0.000 0.000 0.330 445 Y C -0.445 175.619 175.900 0.274 0.000 1.011 445 Y CA -1.495 56.761 58.100 0.260 0.000 1.099 445 Y CB 1.676 40.194 38.460 0.098 0.000 1.179 445 Y HN -0.228 nan 8.280 nan 0.000 0.442 446 S N 7.619 123.428 115.700 0.182 0.000 2.448 446 S HA 0.520 4.989 4.470 -0.000 0.000 0.320 446 S C -0.299 174.465 174.600 0.273 0.000 1.071 446 S CA -0.869 57.398 58.200 0.112 0.000 1.113 446 S CB -0.032 63.075 63.200 -0.155 0.000 0.972 446 S HN 0.638 nan 8.310 nan 0.000 0.465 447 M N 3.796 123.586 119.600 0.316 0.000 2.240 447 M HA 0.199 4.679 4.480 -0.000 0.000 0.317 447 M C 1.617 177.870 176.300 -0.079 0.000 1.087 447 M CA 0.306 55.782 55.300 0.294 0.000 1.176 447 M CB -0.067 32.651 32.600 0.196 0.000 1.439 447 M HN 0.762 nan 8.290 nan 0.000 0.452 448 R N 0.644 120.806 120.500 -0.565 0.000 2.100 448 R HA 0.050 4.390 4.340 -0.000 0.000 0.220 448 R C -0.102 176.013 176.300 -0.308 0.000 1.091 448 R CA 1.024 56.496 56.100 -1.047 0.000 0.986 448 R CB 0.568 29.891 30.300 -1.628 0.000 0.888 448 R HN 0.462 nan 8.270 nan 0.000 0.444 449 K N 0.661 120.947 120.400 -0.190 0.000 2.397 449 K HA 0.286 4.605 4.320 -0.000 0.000 0.253 449 K C -1.393 175.157 176.600 -0.083 0.000 0.932 449 K CA -0.784 55.433 56.287 -0.117 0.000 0.795 449 K CB 2.191 34.603 32.500 -0.146 0.000 1.159 449 K HN -0.082 nan 8.250 nan 0.000 0.424 450 M N 1.620 121.170 119.600 -0.083 0.000 2.224 450 M HA 0.243 4.723 4.480 -0.000 0.000 0.281 450 M C -1.563 174.669 176.300 -0.114 0.000 1.025 450 M CA -0.178 55.063 55.300 -0.098 0.000 0.954 450 M CB 1.928 34.490 32.600 -0.064 0.000 1.639 450 M HN 0.614 nan 8.290 nan 0.000 0.461 451 S N 4.809 120.428 115.700 -0.135 0.000 2.570 451 S HA 0.974 5.443 4.470 -0.000 0.000 0.286 451 S C -0.827 173.709 174.600 -0.106 0.000 1.099 451 S CA -0.967 57.157 58.200 -0.126 0.000 0.913 451 S CB 1.777 64.882 63.200 -0.159 0.000 1.085 451 S HN 0.788 nan 8.310 nan 0.000 0.480 452 M N 1.668 121.231 119.600 -0.062 0.000 2.501 452 M HA 0.632 5.112 4.480 -0.000 0.000 0.293 452 M C -1.498 174.781 176.300 -0.034 0.000 1.192 452 M CA -0.575 54.698 55.300 -0.045 0.000 0.886 452 M CB 2.800 35.443 32.600 0.072 0.000 1.710 452 M HN 0.949 nan 8.290 nan 0.000 0.457 453 K N 2.326 122.718 120.400 -0.014 0.000 2.610 453 K HA 0.752 5.072 4.320 -0.000 0.000 0.267 453 K C -1.629 175.167 176.600 0.327 0.000 0.943 453 K CA -0.939 55.426 56.287 0.129 0.000 0.862 453 K CB 1.865 34.411 32.500 0.077 0.000 1.376 453 K HN 0.814 nan 8.250 nan 0.000 0.412 454 I N -1.695 119.172 120.570 0.495 0.000 2.730 454 I HA 0.682 4.851 4.170 -0.000 0.000 0.298 454 I C -1.206 175.110 176.117 0.332 0.000 1.089 454 I CA -1.001 60.615 61.300 0.527 0.000 1.041 454 I CB 2.473 40.734 38.000 0.434 0.000 1.235 454 I HN 0.779 nan 8.210 nan 0.000 0.423 455 R N 5.191 125.755 120.500 0.108 0.000 2.574 455 R HA 0.599 4.939 4.340 -0.000 0.000 0.288 455 R C -2.959 173.287 176.300 -0.089 0.000 1.004 455 R CA -1.640 54.292 56.100 -0.279 0.000 0.895 455 R CB 2.571 32.215 30.300 -1.094 0.000 1.191 455 R HN 0.391 nan 8.270 nan 0.000 0.444 456 P HA -0.017 nan 4.420 nan 0.000 0.265 456 P C -0.333 176.961 177.300 -0.011 0.000 1.193 456 P CA 0.088 63.152 63.100 -0.059 0.000 0.765 456 P CB 0.278 31.879 31.700 -0.166 0.000 0.823 457 F N 4.486 124.387 119.950 -0.081 0.000 2.163 457 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 457 F C 0.726 176.586 175.800 0.100 0.000 1.094 457 F CA 0.944 58.950 58.000 0.011 0.000 1.290 457 F CB -0.180 38.831 39.000 0.020 0.000 1.017 457 F HN 0.138 nan 8.300 nan 0.000 0.483 458 F N 0.000 119.954 119.950 0.006 0.000 2.286 458 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 458 F CA 0.000 57.951 58.000 -0.082 0.000 1.383 458 F CB 0.000 38.901 39.000 -0.165 0.000 1.145 458 F HN 0.000 nan 8.300 nan 0.000 0.574