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 1b65_1_D DATA FIRST_RESID 9 DATA SEQUENCE KPRARDLGLP FTGVTGPYNA ITDVDGVGVG FQTIIENEPR PGRKRPARSG DATA SEQUENCE VTAILPHMQS ETPVPVYAGV HRFNGNGEMT GTHWIEDGGY FLGPVVITNT DATA SEQUENCE HGIGMAHHAT VRWMVDRYAS TYQTDDFLWI MPVVAETYDG ALNDINGFPV DATA SEQUENCE TEADVRKALD NVASGPVQEG NCGGGTGMIT YGFKGGTGTA SRVVEFGGRS DATA SEQUENCE FTIGALVQAN HGQRDWLTIA GVPVGQHMRD GTPQSQLXXX XSIIVVLATD DATA SEQUENCE LPLMPHQLKR LARRASIGIG RNGTPGGNNS GDIFIAFSTA NQRPMQHRSA DATA SEQUENCE PFLDVEMVND EPLDTVYLAA VDSVEEAVVN AMIAAEDMGG TPFDRLLVQA DATA SEQUENCE IDHERLRAVL RQYGRLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.624 176.600 0.041 0.000 0.988 9 K CA 0.000 56.313 56.287 0.043 0.000 0.838 9 K CB 0.000 32.521 32.500 0.036 0.000 1.064 10 P HA 0.249 nan 4.420 nan 0.000 0.271 10 P C -0.634 176.665 177.300 -0.002 0.000 1.218 10 P CA -0.298 62.815 63.100 0.022 0.000 0.780 10 P CB 0.967 32.678 31.700 0.019 0.000 0.901 11 R N 0.341 120.832 120.500 -0.015 0.000 2.719 11 R HA 0.561 4.900 4.340 -0.002 0.000 0.233 11 R C 1.555 177.827 176.300 -0.046 0.000 1.257 11 R CA -0.497 55.584 56.100 -0.030 0.000 1.109 11 R CB 0.132 30.420 30.300 -0.020 0.000 1.447 11 R HN 0.467 nan 8.270 nan 0.000 0.537 12 A N 0.891 123.691 122.820 -0.032 0.000 1.908 12 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 12 A C 2.072 179.714 177.584 0.097 0.000 1.181 12 A CA 1.545 53.605 52.037 0.038 0.000 0.627 12 A CB -0.467 18.634 19.000 0.168 0.000 0.818 12 A HN 0.618 nan 8.150 nan 0.000 0.445 13 R N -0.329 120.231 120.500 0.100 0.000 2.127 13 R HA -0.124 4.215 4.340 -0.002 0.000 0.238 13 R C 1.386 177.716 176.300 0.049 0.000 1.134 13 R CA 1.403 57.572 56.100 0.115 0.000 0.975 13 R CB -0.340 30.006 30.300 0.076 0.000 0.865 13 R HN 0.538 nan 8.270 nan 0.000 0.447 14 D N 0.532 120.943 120.400 0.018 0.000 2.218 14 D HA -0.125 4.514 4.640 -0.002 0.000 0.204 14 D C 1.548 177.843 176.300 -0.008 0.000 0.976 14 D CA 0.999 55.002 54.000 0.005 0.000 0.853 14 D CB 0.086 40.886 40.800 0.000 0.000 0.939 14 D HN 0.283 nan 8.370 nan 0.000 0.481 15 L N -0.607 120.599 121.223 -0.029 0.000 2.591 15 L HA 0.182 4.521 4.340 -0.002 0.000 0.228 15 L C 1.517 178.372 176.870 -0.026 0.000 1.133 15 L CA 0.370 55.183 54.840 -0.045 0.000 0.880 15 L CB 0.049 42.041 42.059 -0.113 0.000 1.033 15 L HN 0.088 nan 8.230 nan 0.000 0.450 16 G N 0.031 108.827 108.800 -0.007 0.000 2.159 16 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.227 16 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.227 16 G C -0.027 174.854 174.900 -0.032 0.000 0.986 16 G CA -0.521 44.571 45.100 -0.013 0.000 0.651 16 G HN 0.101 nan 8.290 nan 0.000 0.523 17 L N 2.037 123.245 121.223 -0.026 0.000 2.456 17 L HA 0.364 4.703 4.340 -0.002 0.000 0.272 17 L C -1.060 175.712 176.870 -0.164 0.000 1.189 17 L CA -1.087 53.684 54.840 -0.115 0.000 0.846 17 L CB 0.286 42.285 42.059 -0.099 0.000 1.111 17 L HN -0.000 nan 8.230 nan 0.000 0.475 18 P HA 0.078 nan 4.420 nan 0.000 0.218 18 P C -0.606 176.522 177.300 -0.286 0.000 1.793 18 P CA -0.219 62.746 63.100 -0.224 0.000 0.941 18 P CB -0.406 31.185 31.700 -0.182 0.000 1.919 19 F N 1.248 121.185 119.950 -0.022 0.000 2.471 19 F HA 0.081 4.607 4.527 -0.002 0.000 0.353 19 F C 1.559 177.352 175.800 -0.013 0.000 1.113 19 F CA 0.080 58.069 58.000 -0.018 0.000 1.262 19 F CB -0.077 38.911 39.000 -0.018 0.000 1.146 19 F HN 0.008 nan 8.300 nan 0.000 0.578 20 T N 1.955 116.636 114.554 0.212 0.000 2.274 20 T HA 0.148 4.497 4.350 -0.002 0.000 0.178 20 T C 0.739 175.504 174.700 0.109 0.000 1.049 20 T CA 0.038 62.231 62.100 0.154 0.000 1.255 20 T CB -1.266 67.743 68.868 0.235 0.000 0.980 20 T HN 1.414 nan 8.240 nan 0.000 0.434 21 G N 2.499 111.340 108.800 0.067 0.000 2.719 21 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.454 21 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.454 21 G C 0.025 174.945 174.900 0.033 0.000 1.353 21 G CA -0.437 44.690 45.100 0.045 0.000 0.923 21 G HN 1.693 nan 8.290 nan 0.000 0.554 22 V N 1.615 121.541 119.914 0.021 0.000 2.508 22 V HA 0.482 4.601 4.120 -0.002 0.000 0.281 22 V C 1.331 177.426 176.094 0.001 0.000 1.041 22 V CA 0.455 62.760 62.300 0.009 0.000 1.016 22 V CB 0.537 32.363 31.823 0.006 0.000 0.984 22 V HN 1.269 nan 8.190 nan 0.000 0.478 23 T N 2.653 117.201 114.554 -0.009 0.000 2.912 23 T HA 0.691 5.040 4.350 -0.002 0.000 0.280 23 T C 0.576 175.259 174.700 -0.027 0.000 0.989 23 T CA -0.057 62.032 62.100 -0.018 0.000 0.995 23 T CB 1.678 70.530 68.868 -0.026 0.000 1.077 23 T HN 0.802 nan 8.240 nan 0.000 0.531 24 G N 0.542 109.326 108.800 -0.026 0.000 2.553 24 G HA2 0.466 4.425 3.960 -0.002 0.000 0.278 24 G HA3 0.466 4.425 3.960 -0.002 0.000 0.278 24 G C -1.522 173.328 174.900 -0.083 0.000 1.349 24 G CA -1.440 43.634 45.100 -0.044 0.000 1.037 24 G HN 0.571 nan 8.290 nan 0.000 0.508 25 P HA -0.258 nan 4.420 nan 0.000 0.220 25 P C 0.898 177.992 177.300 -0.344 0.000 0.849 25 P CA 2.090 64.995 63.100 -0.324 0.000 1.048 25 P CB -0.155 31.328 31.700 -0.361 0.000 0.727 26 Y N -2.687 117.612 120.300 -0.002 0.000 2.466 26 Y HA 0.173 4.722 4.550 -0.001 0.000 0.272 26 Y C 0.859 176.755 175.900 -0.007 0.000 1.169 26 Y CA -0.164 57.936 58.100 0.001 0.000 1.285 26 Y CB -1.220 37.244 38.460 0.008 0.000 1.078 26 Y HN 0.060 nan 8.280 nan 0.000 0.523 27 N N 0.649 119.393 118.700 0.074 0.000 2.688 27 N HA -0.168 4.571 4.740 -0.002 0.000 0.258 27 N C -0.891 174.646 175.510 0.044 0.000 1.016 27 N CA 0.785 53.852 53.050 0.028 0.000 0.747 27 N CB -0.932 37.552 38.487 -0.004 0.000 0.895 27 N HN 0.440 nan 8.380 nan 0.000 0.543 28 A N 0.177 123.039 122.820 0.070 0.000 2.599 28 A HA 0.589 4.908 4.320 -0.002 0.000 0.290 28 A C 0.977 178.593 177.584 0.053 0.000 1.101 28 A CA -0.259 51.817 52.037 0.064 0.000 0.674 28 A CB 0.208 19.264 19.000 0.094 0.000 1.277 28 A HN 0.231 nan 8.150 nan 0.000 0.419 29 I N 0.546 121.140 120.570 0.039 0.000 2.567 29 I HA -0.166 4.003 4.170 -0.002 0.000 0.257 29 I C 2.243 178.383 176.117 0.038 0.000 1.184 29 I CA 2.251 63.565 61.300 0.024 0.000 1.451 29 I CB 0.119 38.134 38.000 0.026 0.000 1.089 29 I HN 0.841 nan 8.210 nan 0.000 0.441 30 T N -2.885 111.701 114.554 0.053 0.000 3.155 30 T HA -0.107 4.242 4.350 -0.002 0.000 0.264 30 T C 1.300 176.065 174.700 0.108 0.000 1.160 30 T CA 0.807 62.945 62.100 0.063 0.000 1.075 30 T CB -0.503 68.383 68.868 0.030 0.000 0.921 30 T HN 0.313 nan 8.240 nan 0.000 0.533 31 D N 1.234 121.700 120.400 0.109 0.000 2.310 31 D HA 0.028 4.667 4.640 -0.002 0.000 0.212 31 D C 0.455 176.785 176.300 0.050 0.000 0.965 31 D CA 0.337 54.392 54.000 0.092 0.000 0.879 31 D CB -0.102 40.730 40.800 0.054 0.000 0.921 31 D HN 0.326 nan 8.370 nan 0.000 0.510 32 V N 4.111 124.046 119.914 0.034 0.000 2.405 32 V HA -0.009 4.110 4.120 -0.002 0.000 0.264 32 V C 0.348 176.460 176.094 0.030 0.000 1.048 32 V CA -0.899 61.412 62.300 0.018 0.000 0.966 32 V CB 0.741 32.552 31.823 -0.021 0.000 1.015 32 V HN 0.150 nan 8.190 nan 0.000 0.477 33 D N 4.331 124.752 120.400 0.035 0.000 2.525 33 D HA 0.126 4.765 4.640 -0.002 0.000 0.235 33 D C 1.123 177.440 176.300 0.029 0.000 1.137 33 D CA 0.702 54.727 54.000 0.042 0.000 0.868 33 D CB 1.129 41.957 40.800 0.047 0.000 1.180 33 D HN 0.905 nan 8.370 nan 0.000 0.465 34 G N 1.258 110.084 108.800 0.042 0.000 2.199 34 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.254 34 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.254 34 G C 0.203 175.116 174.900 0.022 0.000 0.982 34 G CA 0.255 45.380 45.100 0.041 0.000 0.632 34 G HN 0.666 nan 8.290 nan 0.000 0.529 35 V N 1.365 121.297 119.914 0.029 0.000 2.461 35 V HA 0.670 4.789 4.120 -0.002 0.000 0.275 35 V C 1.000 177.119 176.094 0.042 0.000 1.047 35 V CA 0.341 62.676 62.300 0.057 0.000 0.955 35 V CB 1.278 33.160 31.823 0.099 0.000 0.988 35 V HN 0.776 nan 8.190 nan 0.000 0.471 36 G N 3.532 112.352 108.800 0.032 0.000 2.453 36 G HA2 0.669 4.628 3.960 -0.002 0.000 0.323 36 G HA3 0.669 4.628 3.960 -0.002 0.000 0.323 36 G C -1.351 173.514 174.900 -0.059 0.000 1.198 36 G CA -0.521 44.573 45.100 -0.010 0.000 0.959 36 G HN 0.543 nan 8.290 nan 0.000 0.482 37 V N 0.273 120.108 119.914 -0.133 0.000 2.588 37 V HA 0.862 4.981 4.120 -0.002 0.000 0.304 37 V C 0.498 176.342 176.094 -0.417 0.000 1.042 37 V CA -0.331 61.801 62.300 -0.280 0.000 0.877 37 V CB 1.712 33.347 31.823 -0.313 0.000 0.996 37 V HN 1.104 nan 8.190 nan 0.000 0.425 38 G N 2.709 111.198 108.800 -0.518 0.000 2.563 38 G HA2 0.817 4.776 3.960 -0.002 0.000 0.302 38 G HA3 0.817 4.776 3.960 -0.002 0.000 0.302 38 G C -1.771 172.785 174.900 -0.573 0.000 1.301 38 G CA -0.429 44.411 45.100 -0.433 0.000 0.965 38 G HN 0.340 nan 8.290 nan 0.000 0.480 39 F N -0.718 119.211 119.950 -0.034 0.000 2.588 39 F HA 0.660 5.186 4.527 -0.002 0.000 0.314 39 F C -0.077 175.705 175.800 -0.029 0.000 1.069 39 F CA -0.928 57.055 58.000 -0.029 0.000 0.931 39 F CB 3.065 42.054 39.000 -0.018 0.000 1.260 39 F HN 0.424 nan 8.300 nan 0.000 0.465 40 Q N 1.278 121.191 119.800 0.189 0.000 2.292 40 Q HA 0.602 4.941 4.340 -0.002 0.000 0.270 40 Q C -1.608 174.440 176.000 0.081 0.000 1.024 40 Q CA -0.269 55.592 55.803 0.097 0.000 0.768 40 Q CB 2.080 30.847 28.738 0.048 0.000 1.250 40 Q HN 0.662 nan 8.270 nan 0.000 0.447 41 T N 5.256 119.838 114.554 0.046 0.000 2.812 41 T HA 0.594 4.943 4.350 -0.002 0.000 0.282 41 T C -0.456 174.246 174.700 0.003 0.000 0.990 41 T CA -0.370 61.735 62.100 0.009 0.000 0.960 41 T CB 0.441 69.293 68.868 -0.027 0.000 0.948 41 T HN 0.592 nan 8.240 nan 0.000 0.438 42 I N 4.426 124.994 120.570 -0.003 0.000 2.390 42 I HA 0.458 4.627 4.170 -0.002 0.000 0.283 42 I C -0.611 175.497 176.117 -0.015 0.000 1.016 42 I CA -0.480 60.816 61.300 -0.006 0.000 1.151 42 I CB 0.933 38.931 38.000 -0.002 0.000 1.293 42 I HN 0.480 nan 8.210 nan 0.000 0.458 43 I N 6.473 127.035 120.570 -0.014 0.000 2.448 43 I HA 0.341 4.510 4.170 -0.002 0.000 0.281 43 I C -0.364 175.746 176.117 -0.011 0.000 1.027 43 I CA -0.283 61.008 61.300 -0.016 0.000 1.111 43 I CB 1.257 39.247 38.000 -0.016 0.000 1.236 43 I HN 0.550 nan 8.210 nan 0.000 0.452 44 E N 4.871 125.063 120.200 -0.015 0.000 2.244 44 E HA 0.436 4.785 4.350 -0.002 0.000 0.266 44 E C -0.260 176.336 176.600 -0.007 0.000 0.914 44 E CA -0.701 55.689 56.400 -0.015 0.000 0.794 44 E CB 1.794 31.477 29.700 -0.030 0.000 1.210 44 E HN 0.413 nan 8.360 nan 0.000 0.414 45 N N 1.571 120.276 118.700 0.007 0.000 2.197 45 N HA 0.031 4.770 4.740 -0.002 0.000 0.228 45 N C -1.076 174.480 175.510 0.077 0.000 1.212 45 N CA 0.179 53.259 53.050 0.051 0.000 0.883 45 N CB 0.901 39.427 38.487 0.066 0.000 1.107 45 N HN 0.582 nan 8.380 nan 0.000 0.519 46 E N 0.608 120.779 120.200 -0.049 0.000 2.314 46 E HA 0.480 4.829 4.350 -0.002 0.000 0.272 46 E C -3.051 173.349 176.600 -0.333 0.000 0.884 46 E CA -1.942 54.309 56.400 -0.248 0.000 0.753 46 E CB 2.326 31.963 29.700 -0.105 0.000 1.213 46 E HN -0.230 nan 8.360 nan 0.000 0.432 47 P HA 0.069 nan 4.420 nan 0.000 0.269 47 P C -0.682 176.490 177.300 -0.214 0.000 1.209 47 P CA -0.091 62.793 63.100 -0.360 0.000 0.776 47 P CB 0.478 31.920 31.700 -0.429 0.000 0.876 48 R N 3.058 123.480 120.500 -0.131 0.000 2.679 48 R HA 0.260 4.599 4.340 -0.002 0.000 0.269 48 R C -1.973 174.285 176.300 -0.071 0.000 1.076 48 R CA -1.551 54.501 56.100 -0.080 0.000 1.160 48 R CB -0.759 29.513 30.300 -0.046 0.000 1.054 48 R HN 0.382 nan 8.270 nan 0.000 0.507 49 P HA -0.036 nan 4.420 nan 0.000 0.260 49 P C 0.495 177.780 177.300 -0.025 0.000 1.185 49 P CA 0.925 64.003 63.100 -0.036 0.000 0.763 49 P CB 0.447 32.134 31.700 -0.022 0.000 0.776 50 G N 2.180 110.965 108.800 -0.025 0.000 2.195 50 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.246 50 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.246 50 G C 0.261 175.153 174.900 -0.014 0.000 0.984 50 G CA -0.412 44.681 45.100 -0.012 0.000 0.633 50 G HN 0.527 nan 8.290 nan 0.000 0.525 51 R N -0.085 120.394 120.500 -0.035 0.000 2.758 51 R HA 0.701 5.040 4.340 -0.002 0.000 0.265 51 R C 0.869 177.130 176.300 -0.064 0.000 1.016 51 R CA -0.652 55.425 56.100 -0.040 0.000 1.040 51 R CB 0.751 31.021 30.300 -0.049 0.000 1.152 51 R HN 0.221 nan 8.270 nan 0.000 0.503 52 K N 0.703 121.074 120.400 -0.047 0.000 2.391 52 K HA 0.230 4.549 4.320 -0.002 0.000 0.197 52 K C 0.148 176.721 176.600 -0.046 0.000 1.087 52 K CA 0.292 56.560 56.287 -0.031 0.000 1.012 52 K CB 0.866 33.379 32.500 0.022 0.000 0.925 52 K HN 0.266 nan 8.250 nan 0.000 0.547 53 R N 1.247 121.710 120.500 -0.062 0.000 2.740 53 R HA 0.341 4.680 4.340 -0.002 0.000 0.282 53 R C -2.824 173.417 176.300 -0.099 0.000 0.969 53 R CA -2.157 53.916 56.100 -0.045 0.000 0.918 53 R CB 1.305 31.597 30.300 -0.014 0.000 1.175 53 R HN -0.145 nan 8.270 nan 0.000 0.464 54 P HA 0.090 nan 4.420 nan 0.000 0.272 54 P C -1.117 176.144 177.300 -0.065 0.000 1.240 54 P CA -0.372 62.675 63.100 -0.089 0.000 0.791 54 P CB 0.701 32.377 31.700 -0.040 0.000 0.978 55 A N 2.378 125.162 122.820 -0.060 0.000 2.260 55 A HA 0.601 4.920 4.320 -0.002 0.000 0.314 55 A C -0.211 177.347 177.584 -0.043 0.000 1.257 55 A CA -0.376 51.629 52.037 -0.053 0.000 0.871 55 A CB -0.038 18.937 19.000 -0.041 0.000 1.166 55 A HN 0.425 nan 8.150 nan 0.000 0.522 56 R N 1.730 122.199 120.500 -0.051 0.000 2.576 56 R HA 0.588 4.927 4.340 -0.002 0.000 0.283 56 R C -0.460 175.808 176.300 -0.053 0.000 1.493 56 R CA 0.123 56.197 56.100 -0.044 0.000 1.170 56 R CB 1.635 31.910 30.300 -0.041 0.000 1.189 56 R HN 0.764 nan 8.270 nan 0.000 0.542 57 S N 0.183 115.859 115.700 -0.039 0.000 2.873 57 S HA 0.938 5.407 4.470 -0.002 0.000 0.303 57 S C -1.061 173.532 174.600 -0.013 0.000 1.222 57 S CA -0.102 58.076 58.200 -0.037 0.000 0.923 57 S CB 1.607 64.778 63.200 -0.047 0.000 1.286 57 S HN 0.678 nan 8.310 nan 0.000 0.571 58 G N -0.405 108.397 108.800 0.003 0.000 2.323 58 G HA2 0.457 4.416 3.960 -0.002 0.000 0.291 58 G HA3 0.457 4.416 3.960 -0.002 0.000 0.291 58 G C -2.172 172.755 174.900 0.045 0.000 1.278 58 G CA 0.172 45.289 45.100 0.027 0.000 0.860 58 G HN 1.201 nan 8.290 nan 0.000 0.504 59 V N -0.161 119.796 119.914 0.071 0.000 2.760 59 V HA 0.766 4.885 4.120 -0.002 0.000 0.309 59 V C -0.369 175.798 176.094 0.122 0.000 1.077 59 V CA -0.616 61.725 62.300 0.068 0.000 0.910 59 V CB 2.041 33.880 31.823 0.026 0.000 1.008 59 V HN 0.938 nan 8.190 nan 0.000 0.424 60 T N 3.332 117.946 114.554 0.101 0.000 2.829 60 T HA 0.800 5.149 4.350 -0.002 0.000 0.280 60 T C -0.314 174.350 174.700 -0.060 0.000 0.999 60 T CA -0.318 61.834 62.100 0.086 0.000 0.983 60 T CB 1.679 70.657 68.868 0.183 0.000 0.968 60 T HN 1.033 nan 8.240 nan 0.000 0.446 61 A N 3.341 126.051 122.820 -0.182 0.000 2.371 61 A HA 0.850 5.169 4.320 -0.002 0.000 0.311 61 A C -0.891 176.591 177.584 -0.171 0.000 1.068 61 A CA -0.695 51.238 52.037 -0.174 0.000 0.744 61 A CB 0.707 19.564 19.000 -0.239 0.000 1.239 61 A HN 0.840 nan 8.150 nan 0.000 0.435 62 I N 2.859 123.381 120.570 -0.080 0.000 2.410 62 I HA 0.355 4.524 4.170 -0.002 0.000 0.286 62 I C -0.810 175.319 176.117 0.020 0.000 1.009 62 I CA -0.226 61.067 61.300 -0.012 0.000 1.111 62 I CB 1.561 39.614 38.000 0.087 0.000 1.262 62 I HN 0.521 nan 8.210 nan 0.000 0.443 63 L N 8.886 130.124 121.223 0.024 0.000 2.343 63 L HA 0.602 4.941 4.340 -0.002 0.000 0.278 63 L C -2.489 174.417 176.870 0.059 0.000 0.996 63 L CA -1.685 53.188 54.840 0.055 0.000 0.831 63 L CB 2.395 44.504 42.059 0.083 0.000 1.232 63 L HN 0.257 nan 8.230 nan 0.000 0.413 64 P HA 0.172 nan 4.420 nan 0.000 0.274 64 P C -0.640 176.659 177.300 -0.001 0.000 1.231 64 P CA 0.223 63.288 63.100 -0.059 0.000 0.790 64 P CB 0.343 31.915 31.700 -0.213 0.000 0.951 65 H N 0.515 119.624 119.070 0.065 0.000 2.692 65 H HA -0.153 4.402 4.556 -0.002 0.000 0.316 65 H C 1.251 176.628 175.328 0.081 0.000 1.176 65 H CA 1.040 57.118 56.048 0.050 0.000 1.142 65 H CB -1.765 27.999 29.762 0.003 0.000 1.475 65 H HN 0.579 nan 8.280 nan 0.000 0.423 66 M N -0.968 118.730 119.600 0.164 0.000 2.446 66 M HA -0.131 4.348 4.480 -0.002 0.000 0.263 66 M C 2.110 178.499 176.300 0.150 0.000 1.066 66 M CA 2.090 57.488 55.300 0.162 0.000 1.087 66 M CB -0.063 32.605 32.600 0.113 0.000 1.406 66 M HN 0.277 nan 8.290 nan 0.000 0.459 67 Q N 1.032 120.911 119.800 0.131 0.000 2.331 67 Q HA 0.104 4.443 4.340 -0.002 0.000 0.203 67 Q C 0.678 176.738 176.000 0.099 0.000 0.944 67 Q CA 0.908 56.770 55.803 0.098 0.000 0.892 67 Q CB -0.411 28.376 28.738 0.080 0.000 0.983 67 Q HN 0.529 nan 8.270 nan 0.000 0.482 68 S N 0.958 116.732 115.700 0.124 0.000 2.558 68 S HA -0.017 4.452 4.470 -0.002 0.000 0.288 68 S C 0.709 175.392 174.600 0.137 0.000 1.318 68 S CA -0.110 58.144 58.200 0.090 0.000 1.056 68 S CB 0.677 63.904 63.200 0.045 0.000 0.853 68 S HN 0.390 nan 8.310 nan 0.000 0.505 69 E N 1.458 121.707 120.200 0.082 0.000 2.371 69 E HA 0.010 4.359 4.350 -0.002 0.000 0.194 69 E C 0.551 177.257 176.600 0.176 0.000 1.012 69 E CA 0.611 57.072 56.400 0.102 0.000 0.860 69 E CB 0.223 29.940 29.700 0.028 0.000 0.811 69 E HN 0.807 nan 8.360 nan 0.000 0.502 70 T N -0.877 113.707 114.554 0.050 0.000 2.908 70 T HA 0.429 4.778 4.350 -0.002 0.000 0.290 70 T C -2.918 171.572 174.700 -0.351 0.000 1.034 70 T CA -2.667 59.357 62.100 -0.128 0.000 1.010 70 T CB 1.988 70.758 68.868 -0.164 0.000 1.068 70 T HN -0.306 nan 8.240 nan 0.000 0.481 71 P HA 0.354 nan 4.420 nan 0.000 0.271 71 P C -0.943 176.160 177.300 -0.328 0.000 1.220 71 P CA -0.425 62.306 63.100 -0.614 0.000 0.768 71 P CB 0.530 31.905 31.700 -0.541 0.000 0.848 72 V N 6.583 126.349 119.914 -0.247 0.000 2.409 72 V HA 0.318 4.437 4.120 -0.002 0.000 0.291 72 V C -2.150 173.786 176.094 -0.262 0.000 1.020 72 V CA -2.183 59.957 62.300 -0.266 0.000 0.848 72 V CB 1.564 33.181 31.823 -0.344 0.000 0.990 72 V HN 0.470 nan 8.190 nan 0.000 0.430 73 P HA 0.132 nan 4.420 nan 0.000 0.265 73 P C -0.724 176.299 177.300 -0.461 0.000 1.193 73 P CA 0.176 62.996 63.100 -0.465 0.000 0.765 73 P CB 0.715 31.904 31.700 -0.852 0.000 0.823 74 V N 5.464 125.104 119.914 -0.456 0.000 2.487 74 V HA 0.267 4.386 4.120 -0.002 0.000 0.298 74 V C -0.548 175.401 176.094 -0.243 0.000 1.028 74 V CA -0.658 61.434 62.300 -0.346 0.000 0.860 74 V CB 0.624 32.156 31.823 -0.483 0.000 0.991 74 V HN 0.379 nan 8.190 nan 0.000 0.427 75 Y N 3.473 123.822 120.300 0.081 0.000 2.480 75 Y HA 0.537 5.086 4.550 -0.002 0.000 0.338 75 Y C 0.696 176.718 175.900 0.204 0.000 1.220 75 Y CA 0.764 58.953 58.100 0.149 0.000 1.430 75 Y CB 0.803 39.325 38.460 0.102 0.000 1.311 75 Y HN 0.775 nan 8.280 nan 0.000 0.575 76 A N 0.704 123.762 122.820 0.396 0.000 2.599 76 A HA 0.872 5.191 4.320 -0.002 0.000 0.290 76 A C -0.716 177.030 177.584 0.271 0.000 1.101 76 A CA -0.192 52.078 52.037 0.389 0.000 0.674 76 A CB 1.358 20.699 19.000 0.567 0.000 1.277 76 A HN 0.985 nan 8.150 nan 0.000 0.419 77 G N -0.779 108.165 108.800 0.240 0.000 2.719 77 G HA2 0.626 4.585 3.960 -0.002 0.000 0.298 77 G HA3 0.626 4.585 3.960 -0.002 0.000 0.298 77 G C -1.640 173.363 174.900 0.172 0.000 1.411 77 G CA -0.397 44.806 45.100 0.171 0.000 0.991 77 G HN 1.105 nan 8.290 nan 0.000 0.509 78 V N 1.653 121.652 119.914 0.142 0.000 2.715 78 V HA 0.566 4.685 4.120 -0.002 0.000 0.310 78 V C -0.610 175.595 176.094 0.186 0.000 1.054 78 V CA -0.819 61.562 62.300 0.135 0.000 0.928 78 V CB 1.996 33.854 31.823 0.059 0.000 1.007 78 V HN 0.858 nan 8.190 nan 0.000 0.437 79 H N 4.402 123.516 119.070 0.074 0.000 2.823 79 H HA 0.430 4.985 4.556 -0.001 0.000 0.332 79 H C -0.520 174.737 175.328 -0.118 0.000 0.980 79 H CA -0.798 55.279 56.048 0.048 0.000 1.286 79 H CB 1.221 31.094 29.762 0.185 0.000 1.541 79 H HN 0.616 nan 8.280 nan 0.000 0.521 80 R N 5.361 125.527 120.500 -0.556 0.000 2.296 80 R HA 0.020 4.359 4.340 -0.002 0.000 0.327 80 R C -0.024 175.821 176.300 -0.760 0.000 1.137 80 R CA -0.282 55.492 56.100 -0.544 0.000 1.020 80 R CB -0.106 30.018 30.300 -0.294 0.000 1.110 80 R HN 0.542 nan 8.270 nan 0.000 0.499 81 F N 3.209 122.602 119.950 -0.929 0.000 2.128 81 F HA 0.056 4.582 4.527 -0.001 0.000 0.295 81 F C 0.365 175.991 175.800 -0.290 0.000 1.100 81 F CA 1.082 58.750 58.000 -0.554 0.000 1.260 81 F CB 0.327 39.137 39.000 -0.317 0.000 1.009 81 F HN 0.417 nan 8.300 nan 0.000 0.476 82 N N -0.457 118.095 118.700 -0.246 0.000 2.549 82 N HA 0.160 4.899 4.740 -0.002 0.000 0.290 82 N C -0.059 175.361 175.510 -0.149 0.000 1.122 82 N CA 0.206 53.125 53.050 -0.218 0.000 0.885 82 N CB 1.338 39.760 38.487 -0.108 0.000 1.455 82 N HN 0.205 nan 8.380 nan 0.000 0.521 83 G N 2.044 110.752 108.800 -0.152 0.000 3.374 83 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.252 83 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.252 83 G C 0.543 175.398 174.900 -0.076 0.000 1.326 83 G CA -0.198 44.831 45.100 -0.118 0.000 1.133 83 G HN 0.527 nan 8.290 nan 0.000 0.528 84 N N 1.273 119.937 118.700 -0.059 0.000 3.259 84 N HA 0.337 5.076 4.740 -0.002 0.000 0.308 84 N C 0.459 175.952 175.510 -0.029 0.000 1.334 84 N CA 0.351 53.376 53.050 -0.041 0.000 1.202 84 N CB 0.078 38.543 38.487 -0.036 0.000 1.485 84 N HN 0.342 nan 8.380 nan 0.000 0.549 85 G N -0.382 108.402 108.800 -0.027 0.000 2.495 85 G HA2 0.303 4.262 3.960 -0.002 0.000 0.294 85 G HA3 0.303 4.262 3.960 -0.002 0.000 0.294 85 G C -1.868 173.026 174.900 -0.009 0.000 1.397 85 G CA -0.528 44.568 45.100 -0.007 0.000 0.790 85 G HN 0.210 nan 8.290 nan 0.000 0.486 86 E N -0.449 119.756 120.200 0.009 0.000 2.212 86 E HA 0.750 5.099 4.350 -0.002 0.000 0.268 86 E C -0.711 175.888 176.600 -0.002 0.000 0.902 86 E CA -0.750 55.654 56.400 0.006 0.000 0.779 86 E CB 1.721 31.440 29.700 0.033 0.000 1.172 86 E HN 0.634 nan 8.360 nan 0.000 0.409 87 M N 4.415 124.000 119.600 -0.025 0.000 2.149 87 M HA 0.337 4.816 4.480 -0.002 0.000 0.273 87 M C -1.010 175.264 176.300 -0.044 0.000 0.972 87 M CA -0.386 54.894 55.300 -0.034 0.000 0.984 87 M CB 1.300 33.867 32.600 -0.056 0.000 1.699 87 M HN 0.722 nan 8.290 nan 0.000 0.462 88 T N 0.675 115.226 114.554 -0.005 0.000 2.788 88 T HA 0.668 5.017 4.350 -0.002 0.000 0.280 88 T C 1.084 175.775 174.700 -0.016 0.000 0.984 88 T CA 0.484 62.594 62.100 0.017 0.000 0.972 88 T CB 1.278 70.239 68.868 0.154 0.000 1.039 88 T HN 1.332 nan 8.240 nan 0.000 0.530 89 G N 0.088 108.902 108.800 0.023 0.000 2.155 89 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.257 89 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.257 89 G C 0.815 175.711 174.900 -0.007 0.000 0.983 89 G CA 1.195 46.321 45.100 0.043 0.000 0.676 89 G HN 1.591 nan 8.290 nan 0.000 0.528 90 T N -3.567 110.906 114.554 -0.136 0.000 3.081 90 T HA 0.103 4.452 4.350 -0.002 0.000 0.255 90 T C 1.811 176.470 174.700 -0.068 0.000 1.113 90 T CA 1.314 63.341 62.100 -0.122 0.000 1.082 90 T CB -0.265 68.506 68.868 -0.161 0.000 0.939 90 T HN 0.474 nan 8.240 nan 0.000 0.506 91 H N -0.275 118.868 119.070 0.121 0.000 2.353 91 H HA 0.003 4.558 4.556 -0.002 0.000 0.300 91 H C 1.782 177.254 175.328 0.241 0.000 1.090 91 H CA 1.290 57.428 56.048 0.151 0.000 1.327 91 H CB -0.419 29.430 29.762 0.144 0.000 1.383 91 H HN 0.557 nan 8.280 nan 0.000 0.508 92 W N 1.163 122.533 121.300 0.118 0.000 2.770 92 W HA 0.012 4.671 4.660 -0.001 0.000 0.256 92 W C 1.671 178.165 176.519 -0.042 0.000 1.291 92 W CA 0.158 57.520 57.345 0.029 0.000 1.396 92 W CB 0.088 29.557 29.460 0.015 0.000 1.114 92 W HN 0.063 nan 8.180 nan 0.000 0.637 93 I N 0.651 121.242 120.570 0.034 0.000 2.226 93 I HA -0.306 3.863 4.170 -0.002 0.000 0.245 93 I C 2.418 178.496 176.117 -0.065 0.000 1.100 93 I CA 1.236 62.519 61.300 -0.030 0.000 1.374 93 I CB -0.414 37.631 38.000 0.075 0.000 1.057 93 I HN -0.148 nan 8.210 nan 0.000 0.413 94 E N 0.741 120.938 120.200 -0.005 0.000 2.031 94 E HA -0.217 4.132 4.350 -0.002 0.000 0.193 94 E C 1.666 178.227 176.600 -0.064 0.000 0.994 94 E CA 1.451 57.856 56.400 0.008 0.000 0.800 94 E CB -0.231 29.512 29.700 0.070 0.000 0.752 94 E HN 0.494 nan 8.360 nan 0.000 0.447 95 D N -0.724 119.603 120.400 -0.121 0.000 2.201 95 D HA 0.000 4.639 4.640 -0.002 0.000 0.209 95 D C 1.914 177.808 176.300 -0.675 0.000 0.961 95 D CA 1.162 55.030 54.000 -0.219 0.000 0.861 95 D CB -0.329 40.488 40.800 0.028 0.000 0.997 95 D HN 0.238 nan 8.370 nan 0.000 0.486 96 G N -0.428 107.475 108.800 -1.496 0.000 2.430 96 G HA2 0.177 4.136 3.960 -0.002 0.000 0.216 96 G HA3 0.177 4.136 3.960 -0.002 0.000 0.216 96 G C 1.263 175.711 174.900 -0.753 0.000 1.146 96 G CA 0.927 44.865 45.100 -1.937 0.000 0.793 96 G HN 0.481 nan 8.290 nan 0.000 0.537 97 G N -1.702 106.806 108.800 -0.486 0.000 2.194 97 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.236 97 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.236 97 G C 0.192 175.217 174.900 0.208 0.000 0.987 97 G CA 0.714 45.817 45.100 0.005 0.000 0.635 97 G HN 1.435 nan 8.290 nan 0.000 0.520 98 Y N -1.279 119.022 120.300 0.002 0.000 2.705 98 Y HA 0.808 5.357 4.550 -0.002 0.000 0.332 98 Y C -0.529 175.471 175.900 0.167 0.000 1.221 98 Y CA -2.325 55.794 58.100 0.031 0.000 1.059 98 Y CB 0.518 38.852 38.460 -0.211 0.000 1.298 98 Y HN 0.807 nan 8.280 nan 0.000 0.459 99 F N 0.197 120.284 119.950 0.228 0.000 2.650 99 F HA 0.901 5.427 4.527 -0.002 0.000 0.320 99 F C -2.321 173.592 175.800 0.189 0.000 1.091 99 F CA -1.436 56.673 58.000 0.182 0.000 0.962 99 F CB 1.391 40.430 39.000 0.065 0.000 1.363 99 F HN 0.446 nan 8.300 nan 0.000 0.482 100 L N 1.559 122.949 121.223 0.277 0.000 2.341 100 L HA 0.886 5.225 4.340 -0.002 0.000 0.267 100 L C 0.478 177.468 176.870 0.201 0.000 1.009 100 L CA 0.061 54.955 54.840 0.089 0.000 0.819 100 L CB 0.871 43.010 42.059 0.133 0.000 1.323 100 L HN 1.246 nan 8.230 nan 0.000 0.425 101 G N 2.676 111.547 108.800 0.117 0.000 2.725 101 G HA2 -0.086 3.873 3.960 -0.002 0.000 0.220 101 G HA3 -0.086 3.873 3.960 -0.002 0.000 0.220 101 G C -2.958 172.097 174.900 0.258 0.000 1.357 101 G CA -0.644 44.606 45.100 0.251 0.000 0.866 101 G HN 0.499 nan 8.290 nan 0.000 0.548 102 P HA 0.555 nan 4.420 nan 0.000 0.281 102 P C -0.341 177.003 177.300 0.074 0.000 1.264 102 P CA -0.456 62.712 63.100 0.113 0.000 0.824 102 P CB 1.550 33.237 31.700 -0.021 0.000 1.092 103 V N 1.725 121.650 119.914 0.017 0.000 2.383 103 V HA 0.198 4.317 4.120 -0.002 0.000 0.275 103 V C 0.419 176.485 176.094 -0.047 0.000 1.036 103 V CA -0.407 61.852 62.300 -0.069 0.000 0.889 103 V CB 1.313 33.109 31.823 -0.045 0.000 0.985 103 V HN 0.244 nan 8.190 nan 0.000 0.459 104 V N 6.927 126.809 119.914 -0.054 0.000 2.495 104 V HA 0.563 4.682 4.120 -0.002 0.000 0.298 104 V C -0.224 175.865 176.094 -0.008 0.000 1.031 104 V CA -0.445 61.829 62.300 -0.043 0.000 0.871 104 V CB 1.857 33.646 31.823 -0.058 0.000 0.988 104 V HN 0.686 nan 8.190 nan 0.000 0.432 105 I N 3.780 124.358 120.570 0.013 0.000 2.498 105 I HA 0.696 4.865 4.170 -0.002 0.000 0.290 105 I C 0.068 176.213 176.117 0.047 0.000 1.032 105 I CA -0.092 61.230 61.300 0.038 0.000 1.073 105 I CB 2.197 40.231 38.000 0.056 0.000 1.251 105 I HN 0.700 nan 8.210 nan 0.000 0.426 106 T N 3.115 117.698 114.554 0.048 0.000 2.584 106 T HA 0.364 4.713 4.350 -0.002 0.000 0.273 106 T C -1.287 173.433 174.700 0.035 0.000 0.978 106 T CA -0.533 61.594 62.100 0.044 0.000 1.159 106 T CB 1.125 70.022 68.868 0.049 0.000 1.556 106 T HN 0.800 nan 8.240 nan 0.000 0.472 107 N N -0.273 118.439 118.700 0.020 0.000 2.482 107 N HA 0.362 5.101 4.740 -0.002 0.000 0.279 107 N C 0.973 176.497 175.510 0.023 0.000 1.182 107 N CA 0.023 53.065 53.050 -0.013 0.000 0.969 107 N CB 0.380 38.819 38.487 -0.080 0.000 1.201 107 N HN 0.431 nan 8.380 nan 0.000 0.523 108 T N -0.821 113.739 114.554 0.009 0.000 2.699 108 T HA -0.168 4.181 4.350 -0.002 0.000 0.268 108 T C 0.651 175.483 174.700 0.220 0.000 1.036 108 T CA 1.532 63.681 62.100 0.082 0.000 1.147 108 T CB -0.493 68.411 68.868 0.061 0.000 0.862 108 T HN 0.532 nan 8.240 nan 0.000 0.446 109 H N -0.232 118.870 119.070 0.053 0.000 2.526 109 H HA 0.400 4.955 4.556 -0.002 0.000 0.274 109 H C 2.052 177.481 175.328 0.168 0.000 0.999 109 H CA -0.299 55.799 56.048 0.084 0.000 1.157 109 H CB -0.340 29.355 29.762 -0.112 0.000 1.407 109 H HN 0.419 nan 8.280 nan 0.000 0.568 110 G N 0.084 109.016 108.800 0.220 0.000 3.042 110 G HA2 -0.001 3.958 3.960 -0.002 0.000 0.212 110 G HA3 -0.001 3.958 3.960 -0.002 0.000 0.212 110 G C 1.540 176.540 174.900 0.168 0.000 1.166 110 G CA -0.183 45.033 45.100 0.193 0.000 0.767 110 G HN 0.178 nan 8.290 nan 0.000 0.546 111 I N 2.142 122.812 120.570 0.166 0.000 2.151 111 I HA -0.164 4.005 4.170 -0.002 0.000 0.243 111 I C 2.895 179.105 176.117 0.155 0.000 1.080 111 I CA 1.787 63.173 61.300 0.143 0.000 1.339 111 I CB -1.211 36.864 38.000 0.125 0.000 1.039 111 I HN 0.234 nan 8.210 nan 0.000 0.409 112 G N 0.251 109.132 108.800 0.136 0.000 2.433 112 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.216 112 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.216 112 G C 1.655 176.645 174.900 0.150 0.000 1.186 112 G CA 0.984 46.145 45.100 0.103 0.000 0.779 112 G HN 0.253 nan 8.290 nan 0.000 0.543 113 M N 1.577 121.260 119.600 0.139 0.000 2.159 113 M HA 0.218 4.697 4.480 -0.002 0.000 0.263 113 M C 2.623 179.034 176.300 0.185 0.000 1.063 113 M CA 1.410 56.803 55.300 0.155 0.000 1.110 113 M CB -0.516 32.160 32.600 0.125 0.000 1.374 113 M HN 0.235 nan 8.290 nan 0.000 0.411 114 A N -1.162 121.751 122.820 0.155 0.000 1.933 114 A HA -0.219 4.100 4.320 -0.002 0.000 0.218 114 A C 2.304 179.969 177.584 0.135 0.000 1.175 114 A CA 1.885 53.991 52.037 0.115 0.000 0.628 114 A CB -1.237 17.814 19.000 0.086 0.000 0.814 114 A HN 0.721 nan 8.150 nan 0.000 0.444 115 H N -1.049 118.074 119.070 0.087 0.000 2.326 115 H HA -0.196 4.359 4.556 -0.002 0.000 0.301 115 H C 2.086 177.478 175.328 0.106 0.000 1.081 115 H CA 2.277 58.376 56.048 0.085 0.000 1.334 115 H CB -0.421 29.390 29.762 0.082 0.000 1.385 115 H HN 0.727 nan 8.280 nan 0.000 0.504 116 H N 0.423 119.635 119.070 0.237 0.000 2.319 116 H HA -0.071 4.484 4.556 -0.002 0.000 0.299 116 H C 2.226 177.614 175.328 0.100 0.000 1.092 116 H CA 2.408 58.550 56.048 0.157 0.000 1.302 116 H CB -0.382 29.443 29.762 0.105 0.000 1.373 116 H HN 0.390 nan 8.280 nan 0.000 0.497 117 A N -0.736 122.128 122.820 0.073 0.000 1.933 117 A HA -0.159 4.160 4.320 -0.002 0.000 0.218 117 A C 2.500 180.092 177.584 0.014 0.000 1.175 117 A CA 1.986 54.028 52.037 0.008 0.000 0.628 117 A CB -0.981 18.063 19.000 0.073 0.000 0.814 117 A HN 0.582 nan 8.150 nan 0.000 0.444 118 T N -0.295 114.261 114.554 0.003 0.000 2.777 118 T HA -0.105 4.244 4.350 -0.002 0.000 0.266 118 T C 1.884 176.624 174.700 0.067 0.000 1.040 118 T CA 1.560 63.672 62.100 0.020 0.000 1.141 118 T CB -0.401 68.430 68.868 -0.062 0.000 0.868 118 T HN 0.170 nan 8.240 nan 0.000 0.444 119 V N 1.772 121.659 119.914 -0.044 0.000 2.343 119 V HA -0.169 3.950 4.120 -0.002 0.000 0.247 119 V C 2.678 178.739 176.094 -0.055 0.000 1.051 119 V CA 1.526 63.787 62.300 -0.066 0.000 1.036 119 V CB -0.556 31.226 31.823 -0.068 0.000 0.654 119 V HN 0.394 nan 8.190 nan 0.000 0.451 120 R N -1.296 119.154 120.500 -0.084 0.000 2.081 120 R HA -0.225 4.114 4.340 -0.002 0.000 0.235 120 R C 2.132 178.452 176.300 0.033 0.000 1.131 120 R CA 2.001 58.058 56.100 -0.071 0.000 0.960 120 R CB -0.598 29.616 30.300 -0.144 0.000 0.856 120 R HN 0.690 nan 8.270 nan 0.000 0.436 121 W N 1.545 122.791 121.300 -0.090 0.000 2.358 121 W HA -0.109 4.550 4.660 -0.002 0.000 0.303 121 W C 2.045 178.536 176.519 -0.047 0.000 1.208 121 W CA 1.276 58.584 57.345 -0.063 0.000 1.274 121 W CB -0.116 29.314 29.460 -0.051 0.000 1.138 121 W HN -0.070 nan 8.180 nan 0.000 0.515 122 M N -0.391 119.324 119.600 0.192 0.000 2.159 122 M HA -0.212 4.267 4.480 -0.002 0.000 0.263 122 M C 1.794 178.113 176.300 0.031 0.000 1.063 122 M CA 1.484 56.856 55.300 0.120 0.000 1.110 122 M CB -0.753 31.987 32.600 0.234 0.000 1.374 122 M HN -0.130 nan 8.290 nan 0.000 0.411 123 V N 0.369 120.245 119.914 -0.064 0.000 2.427 123 V HA -0.259 3.860 4.120 -0.002 0.000 0.248 123 V C 1.678 177.759 176.094 -0.021 0.000 1.051 123 V CA 1.736 64.028 62.300 -0.013 0.000 1.048 123 V CB -0.646 31.143 31.823 -0.058 0.000 0.666 123 V HN 0.400 nan 8.190 nan 0.000 0.456 124 D N -0.240 120.077 120.400 -0.138 0.000 2.120 124 D HA -0.114 4.525 4.640 -0.002 0.000 0.202 124 D C 2.311 178.411 176.300 -0.333 0.000 0.972 124 D CA 1.085 54.966 54.000 -0.198 0.000 0.837 124 D CB -0.223 40.451 40.800 -0.210 0.000 0.989 124 D HN 0.258 nan 8.370 nan 0.000 0.469 125 R N 0.168 120.285 120.500 -0.639 0.000 2.092 125 R HA -0.111 4.228 4.340 -0.002 0.000 0.231 125 R C 0.449 176.326 176.300 -0.704 0.000 1.119 125 R CA 1.169 56.722 56.100 -0.910 0.000 0.970 125 R CB -0.590 28.649 30.300 -1.767 0.000 0.864 125 R HN 0.158 nan 8.270 nan 0.000 0.440 126 Y N 0.171 120.370 120.300 -0.169 0.000 2.813 126 Y HA 0.478 5.027 4.550 -0.002 0.000 0.378 126 Y C 1.151 177.037 175.900 -0.022 0.000 1.023 126 Y CA -0.367 57.694 58.100 -0.066 0.000 1.567 126 Y CB 0.031 38.506 38.460 0.026 0.000 1.492 126 Y HN 0.168 nan 8.280 nan 0.000 0.533 127 A N 0.191 123.025 122.820 0.023 0.000 1.940 127 A HA -0.236 4.083 4.320 -0.002 0.000 0.219 127 A C 2.395 179.985 177.584 0.010 0.000 1.176 127 A CA 2.189 54.240 52.037 0.023 0.000 0.631 127 A CB -0.699 18.285 19.000 -0.028 0.000 0.814 127 A HN 0.532 nan 8.150 nan 0.000 0.446 128 S N -1.475 114.217 115.700 -0.013 0.000 2.474 128 S HA -0.086 4.383 4.470 -0.002 0.000 0.235 128 S C 1.614 176.170 174.600 -0.074 0.000 0.997 128 S CA 1.766 59.944 58.200 -0.037 0.000 0.949 128 S CB -0.626 62.552 63.200 -0.036 0.000 0.766 128 S HN 0.490 nan 8.310 nan 0.000 0.517 129 T N 0.312 114.789 114.554 -0.128 0.000 2.925 129 T HA 0.212 4.561 4.350 -0.002 0.000 0.245 129 T C 1.052 175.544 174.700 -0.347 0.000 1.025 129 T CA 0.796 62.711 62.100 -0.309 0.000 1.149 129 T CB -0.315 68.203 68.868 -0.585 0.000 0.866 129 T HN 0.502 nan 8.240 nan 0.000 0.437 130 Y N 1.459 121.756 120.300 -0.004 0.000 2.503 130 Y HA 0.298 4.847 4.550 -0.002 0.000 0.278 130 Y C 1.592 177.479 175.900 -0.021 0.000 1.111 130 Y CA 0.034 58.121 58.100 -0.021 0.000 1.270 130 Y CB 0.002 38.464 38.460 0.003 0.000 1.063 130 Y HN 0.161 nan 8.280 nan 0.000 0.548 131 Q N 1.541 121.404 119.800 0.105 0.000 3.135 131 Q HA 0.196 4.535 4.340 -0.002 0.000 0.344 131 Q C 0.001 176.009 176.000 0.012 0.000 1.321 131 Q CA -0.129 55.707 55.803 0.055 0.000 1.050 131 Q CB -0.037 28.723 28.738 0.038 0.000 1.498 131 Q HN 0.351 nan 8.270 nan 0.000 0.503 132 T N -4.651 109.901 114.554 -0.004 0.000 2.669 132 T HA 0.269 4.619 4.350 -0.002 0.000 0.283 132 T C 0.087 174.745 174.700 -0.071 0.000 1.019 132 T CA -0.689 61.386 62.100 -0.041 0.000 1.039 132 T CB 1.101 69.933 68.868 -0.062 0.000 1.374 132 T HN -0.092 nan 8.240 nan 0.000 0.523 133 D N 0.542 120.871 120.400 -0.118 0.000 2.349 133 D HA 0.180 4.819 4.640 -0.002 0.000 0.215 133 D C -0.231 175.835 176.300 -0.390 0.000 1.016 133 D CA 0.111 53.987 54.000 -0.207 0.000 0.870 133 D CB -0.013 40.680 40.800 -0.179 0.000 0.917 133 D HN 0.417 nan 8.370 nan 0.000 0.524 134 D N 0.166 120.394 120.400 -0.285 0.000 2.443 134 D HA -0.045 4.594 4.640 -0.002 0.000 0.239 134 D C -0.127 175.981 176.300 -0.320 0.000 1.136 134 D CA 0.271 54.072 54.000 -0.331 0.000 0.879 134 D CB 0.526 41.180 40.800 -0.244 0.000 1.195 134 D HN -0.018 nan 8.370 nan 0.000 0.443 135 F N 2.147 122.072 119.950 -0.042 0.000 2.405 135 F HA 0.206 4.732 4.527 -0.002 0.000 0.358 135 F C 0.125 175.880 175.800 -0.075 0.000 1.151 135 F CA -0.512 57.507 58.000 0.031 0.000 1.161 135 F CB 0.066 39.139 39.000 0.122 0.000 1.245 135 F HN -0.047 nan 8.300 nan 0.000 0.545 136 L N 3.540 124.827 121.223 0.107 0.000 2.370 136 L HA 0.580 4.919 4.340 -0.002 0.000 0.266 136 L C -0.953 175.963 176.870 0.077 0.000 1.002 136 L CA -1.406 53.322 54.840 -0.187 0.000 0.818 136 L CB 1.740 43.720 42.059 -0.131 0.000 1.325 136 L HN 0.581 nan 8.230 nan 0.000 0.418 137 W N 2.520 123.861 121.300 0.067 0.000 2.864 137 W HA 0.879 5.538 4.660 -0.002 0.000 0.343 137 W C -1.227 175.300 176.519 0.015 0.000 1.109 137 W CA -0.920 56.436 57.345 0.019 0.000 1.192 137 W CB 0.697 30.151 29.460 -0.010 0.000 1.426 137 W HN 0.234 nan 8.180 nan 0.000 0.529 138 I N 2.788 123.457 120.570 0.165 0.000 2.433 138 I HA 0.416 4.585 4.170 -0.002 0.000 0.292 138 I C -0.341 175.864 176.117 0.148 0.000 1.001 138 I CA -1.281 60.052 61.300 0.054 0.000 1.119 138 I CB 1.610 39.517 38.000 -0.155 0.000 1.289 138 I HN 0.447 nan 8.210 nan 0.000 0.438 139 M N 8.035 127.735 119.600 0.166 0.000 1.960 139 M HA 0.335 4.814 4.480 -0.002 0.000 0.271 139 M C -2.582 173.787 176.300 0.115 0.000 0.862 139 M CA -1.530 53.882 55.300 0.186 0.000 0.854 139 M CB 1.298 34.050 32.600 0.254 0.000 1.575 139 M HN 0.219 nan 8.290 nan 0.000 0.375 140 P HA 0.272 nan 4.420 nan 0.000 0.276 140 P C -0.663 176.611 177.300 -0.044 0.000 1.252 140 P CA -0.444 62.620 63.100 -0.060 0.000 0.802 140 P CB 1.204 32.783 31.700 -0.202 0.000 1.035 141 V N 1.935 121.798 119.914 -0.085 0.000 2.318 141 V HA 0.208 4.327 4.120 -0.002 0.000 0.271 141 V C 0.229 176.266 176.094 -0.095 0.000 1.030 141 V CA -0.374 61.836 62.300 -0.150 0.000 0.844 141 V CB 1.099 32.672 31.823 -0.417 0.000 1.015 141 V HN 0.238 nan 8.190 nan 0.000 0.460 142 V N 4.365 124.268 119.914 -0.018 0.000 2.487 142 V HA 0.916 5.035 4.120 -0.002 0.000 0.298 142 V C 0.240 176.349 176.094 0.025 0.000 1.028 142 V CA -0.278 62.033 62.300 0.018 0.000 0.860 142 V CB 1.645 33.521 31.823 0.089 0.000 0.991 142 V HN 0.937 nan 8.190 nan 0.000 0.427 143 A N 4.415 127.247 122.820 0.019 0.000 2.486 143 A HA 1.111 5.430 4.320 -0.002 0.000 0.289 143 A C -0.901 176.708 177.584 0.041 0.000 1.176 143 A CA -0.594 51.457 52.037 0.023 0.000 0.757 143 A CB 2.232 21.238 19.000 0.010 0.000 1.337 143 A HN 1.037 nan 8.150 nan 0.000 0.423 144 E N -1.245 118.981 120.200 0.044 0.000 2.430 144 E HA 0.673 5.022 4.350 -0.002 0.000 0.279 144 E C -0.650 175.984 176.600 0.057 0.000 1.003 144 E CA -0.290 56.142 56.400 0.054 0.000 0.801 144 E CB 1.226 30.966 29.700 0.066 0.000 1.313 144 E HN 0.886 nan 8.360 nan 0.000 0.459 145 T N -2.093 112.498 114.554 0.061 0.000 2.887 145 T HA 0.550 4.899 4.350 -0.002 0.000 0.292 145 T C -1.387 173.368 174.700 0.092 0.000 1.087 145 T CA -0.866 61.282 62.100 0.081 0.000 1.009 145 T CB 0.917 69.832 68.868 0.079 0.000 1.203 145 T HN 0.566 nan 8.240 nan 0.000 0.518 146 Y N 2.142 122.421 120.300 -0.035 0.000 2.353 146 Y HA 0.426 4.975 4.550 -0.002 0.000 0.340 146 Y C 0.037 175.895 175.900 -0.069 0.000 0.972 146 Y CA -1.020 57.032 58.100 -0.079 0.000 1.157 146 Y CB 0.937 39.347 38.460 -0.083 0.000 1.157 146 Y HN 0.825 nan 8.280 nan 0.000 0.495 147 D N 2.131 122.191 120.400 -0.566 0.000 2.501 147 D HA 0.146 4.785 4.640 -0.002 0.000 0.226 147 D C 1.586 177.512 176.300 -0.624 0.000 1.198 147 D CA 0.151 53.883 54.000 -0.446 0.000 0.830 147 D CB 0.016 40.672 40.800 -0.239 0.000 1.014 147 D HN 0.742 nan 8.370 nan 0.000 0.496 148 G N 0.428 108.462 108.800 -1.277 0.000 2.498 148 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.219 148 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.219 148 G C 1.461 176.172 174.900 -0.314 0.000 1.119 148 G CA 0.649 45.261 45.100 -0.812 0.000 0.766 148 G HN 0.459 nan 8.290 nan 0.000 0.552 149 A N -0.274 122.418 122.820 -0.214 0.000 1.970 149 A HA 0.303 4.622 4.320 -0.002 0.000 0.216 149 A C 2.037 179.574 177.584 -0.078 0.000 1.170 149 A CA 0.934 52.924 52.037 -0.077 0.000 0.645 149 A CB -0.055 18.927 19.000 -0.031 0.000 0.816 149 A HN 0.307 nan 8.150 nan 0.000 0.447 150 L N -1.299 119.859 121.223 -0.107 0.000 2.672 150 L HA 0.305 4.644 4.340 -0.002 0.000 0.236 150 L C 0.267 177.085 176.870 -0.086 0.000 1.092 150 L CA 0.441 55.237 54.840 -0.074 0.000 0.887 150 L CB -0.595 41.427 42.059 -0.060 0.000 1.168 150 L HN 0.479 nan 8.230 nan 0.000 0.502 151 N N -0.772 117.844 118.700 -0.140 0.000 2.335 151 N HA 0.109 4.848 4.740 -0.002 0.000 0.304 151 N C -0.638 174.784 175.510 -0.145 0.000 1.135 151 N CA -0.403 52.565 53.050 -0.137 0.000 0.817 151 N CB 1.366 39.753 38.487 -0.166 0.000 1.294 151 N HN -0.144 nan 8.380 nan 0.000 0.497 152 D N 2.795 123.126 120.400 -0.116 0.000 2.600 152 D HA 0.057 4.696 4.640 -0.002 0.000 0.226 152 D C 1.140 177.346 176.300 -0.156 0.000 1.119 152 D CA 0.058 53.993 54.000 -0.108 0.000 1.051 152 D CB -0.732 40.021 40.800 -0.078 0.000 1.106 152 D HN 0.609 nan 8.370 nan 0.000 0.491 153 I N 1.570 122.014 120.570 -0.211 0.000 2.493 153 I HA -0.182 3.987 4.170 -0.002 0.000 0.254 153 I C 0.829 176.725 176.117 -0.367 0.000 1.160 153 I CA 0.650 61.775 61.300 -0.292 0.000 1.445 153 I CB 0.187 37.953 38.000 -0.391 0.000 1.086 153 I HN 0.147 nan 8.210 nan 0.000 0.433 154 N N 0.873 119.422 118.700 -0.251 0.000 2.370 154 N HA 0.075 4.814 4.740 -0.002 0.000 0.198 154 N C 1.271 176.648 175.510 -0.222 0.000 1.156 154 N CA 0.666 53.533 53.050 -0.305 0.000 0.839 154 N CB 0.439 38.907 38.487 -0.031 0.000 0.989 154 N HN 0.418 nan 8.380 nan 0.000 0.468 155 G N -0.715 107.980 108.800 -0.175 0.000 3.088 155 G HA2 0.055 4.014 3.960 -0.002 0.000 0.217 155 G HA3 0.055 4.014 3.960 -0.002 0.000 0.217 155 G C -0.071 174.926 174.900 0.162 0.000 1.159 155 G CA -0.450 44.672 45.100 0.036 0.000 0.760 155 G HN 0.189 nan 8.290 nan 0.000 0.550 156 F N 0.054 120.026 119.950 0.038 0.000 2.773 156 F HA -0.169 4.357 4.527 -0.002 0.000 0.251 156 F C -0.529 175.282 175.800 0.020 0.000 1.020 156 F CA 0.092 58.115 58.000 0.038 0.000 0.924 156 F CB -1.249 37.770 39.000 0.032 0.000 0.919 156 F HN 0.220 nan 8.300 nan 0.000 0.846 157 P HA -0.064 nan 4.420 nan 0.000 0.221 157 P C 0.577 177.919 177.300 0.069 0.000 1.150 157 P CA 0.942 64.077 63.100 0.060 0.000 0.800 157 P CB 0.312 32.016 31.700 0.007 0.000 0.787 158 V N 2.220 122.184 119.914 0.084 0.000 2.455 158 V HA 0.133 4.252 4.120 -0.002 0.000 0.273 158 V C 1.162 177.312 176.094 0.094 0.000 1.045 158 V CA 0.099 62.445 62.300 0.077 0.000 0.976 158 V CB 0.449 32.316 31.823 0.073 0.000 0.993 158 V HN 0.267 nan 8.190 nan 0.000 0.475 159 T N 0.789 115.387 114.554 0.074 0.000 2.910 159 T HA 0.344 4.693 4.350 -0.002 0.000 0.279 159 T C 1.040 175.787 174.700 0.078 0.000 0.989 159 T CA -0.232 61.912 62.100 0.074 0.000 0.968 159 T CB 1.493 70.396 68.868 0.058 0.000 1.135 159 T HN 0.649 nan 8.240 nan 0.000 0.562 160 E N 0.170 120.425 120.200 0.091 0.000 2.077 160 E HA -0.132 4.217 4.350 -0.002 0.000 0.193 160 E C 2.261 178.905 176.600 0.072 0.000 0.989 160 E CA 1.208 57.671 56.400 0.105 0.000 0.800 160 E CB -0.621 29.165 29.700 0.143 0.000 0.746 160 E HN 0.756 nan 8.360 nan 0.000 0.452 161 A N 1.203 124.061 122.820 0.062 0.000 1.933 161 A HA -0.214 4.105 4.320 -0.002 0.000 0.218 161 A C 1.825 179.430 177.584 0.035 0.000 1.175 161 A CA 1.773 53.840 52.037 0.050 0.000 0.628 161 A CB -0.463 18.564 19.000 0.044 0.000 0.814 161 A HN 0.311 nan 8.150 nan 0.000 0.444 162 D N -0.446 119.975 120.400 0.035 0.000 2.117 162 D HA -0.131 4.508 4.640 -0.002 0.000 0.197 162 D C 2.120 178.424 176.300 0.007 0.000 0.987 162 D CA 1.724 55.739 54.000 0.026 0.000 0.829 162 D CB -0.469 40.350 40.800 0.033 0.000 0.961 162 D HN 0.353 nan 8.370 nan 0.000 0.460 163 V N 0.868 120.786 119.914 0.007 0.000 2.453 163 V HA -0.133 3.986 4.120 -0.002 0.000 0.247 163 V C 2.173 178.206 176.094 -0.102 0.000 1.048 163 V CA 1.243 63.521 62.300 -0.037 0.000 1.049 163 V CB -0.207 31.603 31.823 -0.021 0.000 0.672 163 V HN 0.026 nan 8.190 nan 0.000 0.457 164 R N -0.128 120.340 120.500 -0.055 0.000 2.096 164 R HA -0.113 4.226 4.340 -0.002 0.000 0.235 164 R C 2.525 178.782 176.300 -0.072 0.000 1.127 164 R CA 1.544 57.603 56.100 -0.067 0.000 0.968 164 R CB -0.391 29.949 30.300 0.068 0.000 0.861 164 R HN 0.473 nan 8.270 nan 0.000 0.440 165 K N 0.599 120.982 120.400 -0.029 0.000 2.057 165 K HA -0.120 4.199 4.320 -0.002 0.000 0.207 165 K C 1.948 178.517 176.600 -0.052 0.000 1.049 165 K CA 1.464 57.742 56.287 -0.015 0.000 0.931 165 K CB -0.074 32.430 32.500 0.008 0.000 0.714 165 K HN 0.130 nan 8.250 nan 0.000 0.440 166 A N 1.230 124.001 122.820 -0.082 0.000 1.902 166 A HA -0.125 4.194 4.320 -0.002 0.000 0.217 166 A C 2.233 179.689 177.584 -0.213 0.000 1.181 166 A CA 1.166 53.136 52.037 -0.112 0.000 0.623 166 A CB -0.504 18.443 19.000 -0.089 0.000 0.818 166 A HN 0.274 nan 8.150 nan 0.000 0.443 167 L N -0.605 120.405 121.223 -0.356 0.000 2.093 167 L HA -0.154 4.185 4.340 -0.002 0.000 0.208 167 L C 1.707 178.388 176.870 -0.315 0.000 1.085 167 L CA 1.307 55.771 54.840 -0.626 0.000 0.755 167 L CB -0.447 40.750 42.059 -1.436 0.000 0.904 167 L HN 0.264 nan 8.230 nan 0.000 0.435 168 D N -0.535 119.802 120.400 -0.105 0.000 2.317 168 D HA -0.089 4.550 4.640 -0.002 0.000 0.211 168 D C 1.433 177.752 176.300 0.030 0.000 0.966 168 D CA 0.640 54.694 54.000 0.090 0.000 0.876 168 D CB -0.119 40.755 40.800 0.123 0.000 0.927 168 D HN 0.219 nan 8.370 nan 0.000 0.519 169 N N 0.261 118.944 118.700 -0.029 0.000 2.336 169 N HA -0.010 4.729 4.740 -0.002 0.000 0.189 169 N C 0.241 175.718 175.510 -0.055 0.000 1.113 169 N CA -0.025 53.009 53.050 -0.027 0.000 0.858 169 N CB 0.469 38.942 38.487 -0.024 0.000 0.970 169 N HN 0.097 nan 8.380 nan 0.000 0.471 170 V N -0.742 119.130 119.914 -0.070 0.000 2.788 170 V HA 0.551 4.670 4.120 -0.002 0.000 0.307 170 V C 0.380 176.448 176.094 -0.043 0.000 1.069 170 V CA -0.863 61.386 62.300 -0.085 0.000 1.173 170 V CB 0.282 32.063 31.823 -0.070 0.000 0.925 170 V HN 0.167 nan 8.190 nan 0.000 0.492 171 A N 3.627 126.409 122.820 -0.063 0.000 2.606 171 A HA 0.860 5.179 4.320 -0.002 0.000 0.293 171 A C -0.055 177.499 177.584 -0.050 0.000 1.082 171 A CA -0.181 51.831 52.037 -0.041 0.000 0.685 171 A CB 1.390 20.363 19.000 -0.045 0.000 1.284 171 A HN 1.820 nan 8.150 nan 0.000 0.408 172 S N 0.099 115.777 115.700 -0.037 0.000 2.598 172 S HA 0.842 5.311 4.470 -0.002 0.000 0.267 172 S C 0.908 175.425 174.600 -0.139 0.000 1.189 172 S CA 0.398 58.572 58.200 -0.045 0.000 1.010 172 S CB 0.285 63.488 63.200 0.004 0.000 1.084 172 S HN 2.820 nan 8.310 nan 0.000 0.541 173 G N -0.149 108.495 108.800 -0.260 0.000 2.660 173 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.215 173 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.215 173 G C -3.331 171.122 174.900 -0.746 0.000 1.345 173 G CA -0.657 44.010 45.100 -0.721 0.000 0.877 173 G HN 0.785 nan 8.290 nan 0.000 0.549 174 P HA 0.409 nan 4.420 nan 0.000 0.266 174 P C -0.084 177.143 177.300 -0.122 0.000 1.195 174 P CA -0.277 62.616 63.100 -0.346 0.000 0.768 174 P CB 1.001 32.590 31.700 -0.185 0.000 0.838 175 V N 3.857 123.766 119.914 -0.008 0.000 2.435 175 V HA 0.222 4.341 4.120 -0.002 0.000 0.290 175 V C 0.449 176.630 176.094 0.145 0.000 1.030 175 V CA -0.555 61.810 62.300 0.110 0.000 0.881 175 V CB 1.246 33.144 31.823 0.124 0.000 0.983 175 V HN 0.521 nan 8.190 nan 0.000 0.445 176 Q N 3.502 123.435 119.800 0.221 0.000 2.364 176 Q HA 0.265 4.604 4.340 -0.002 0.000 0.267 176 Q C -0.413 175.541 176.000 -0.077 0.000 0.999 176 Q CA 0.163 55.985 55.803 0.031 0.000 0.886 176 Q CB 0.871 29.573 28.738 -0.059 0.000 1.243 176 Q HN 0.785 nan 8.270 nan 0.000 0.415 177 E N 1.340 121.488 120.200 -0.088 0.000 2.355 177 E HA 0.656 5.005 4.350 -0.002 0.000 0.261 177 E C -0.021 176.513 176.600 -0.111 0.000 0.943 177 E CA -0.406 55.943 56.400 -0.085 0.000 0.806 177 E CB 1.650 31.340 29.700 -0.018 0.000 1.286 177 E HN 0.923 nan 8.360 nan 0.000 0.424 178 G N 1.296 110.051 108.800 -0.075 0.000 2.554 178 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.253 178 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.253 178 G C -0.422 174.428 174.900 -0.083 0.000 1.172 178 G CA -0.283 44.786 45.100 -0.052 0.000 0.950 178 G HN 0.485 nan 8.290 nan 0.000 0.557 179 N N 2.128 120.779 118.700 -0.082 0.000 3.050 179 N HA 0.448 5.187 4.740 -0.002 0.000 0.289 179 N C 0.137 175.562 175.510 -0.141 0.000 1.209 179 N CA 0.776 53.777 53.050 -0.083 0.000 1.154 179 N CB -0.770 37.686 38.487 -0.051 0.000 1.444 179 N HN 1.099 nan 8.380 nan 0.000 0.529 180 C N -2.573 116.594 119.300 -0.222 0.000 2.994 180 C HA 0.932 5.391 4.460 -0.002 0.000 0.305 180 C C 1.138 175.943 174.990 -0.308 0.000 1.251 180 C CA -0.420 58.387 59.018 -0.353 0.000 1.478 180 C CB 1.037 28.363 27.740 -0.689 0.000 1.922 180 C HN 0.654 nan 8.230 nan 0.000 0.472 181 G N 1.755 110.469 108.800 -0.145 0.000 2.582 181 G HA2 0.101 4.060 3.960 -0.002 0.000 0.288 181 G HA3 0.101 4.060 3.960 -0.002 0.000 0.288 181 G C 1.043 175.988 174.900 0.075 0.000 1.247 181 G CA 0.726 45.909 45.100 0.137 0.000 0.972 181 G HN 2.329 nan 8.290 nan 0.000 0.557 182 G N 0.070 108.942 108.800 0.121 0.000 2.470 182 G HA2 0.250 4.209 3.960 -0.002 0.000 0.220 182 G HA3 0.250 4.209 3.960 -0.002 0.000 0.220 182 G C 1.632 176.553 174.900 0.035 0.000 1.121 182 G CA 1.596 46.736 45.100 0.066 0.000 0.766 182 G HN 1.805 nan 8.290 nan 0.000 0.553 183 G N -0.345 108.471 108.800 0.028 0.000 2.920 183 G HA2 0.115 4.074 3.960 -0.002 0.000 0.208 183 G HA3 0.115 4.074 3.960 -0.002 0.000 0.208 183 G C 1.555 176.443 174.900 -0.020 0.000 1.159 183 G CA 1.053 46.158 45.100 0.010 0.000 0.784 183 G HN 0.304 nan 8.290 nan 0.000 0.535 184 T N 0.899 115.432 114.554 -0.036 0.000 2.624 184 T HA -0.143 4.206 4.350 -0.002 0.000 0.268 184 T C 2.217 176.896 174.700 -0.036 0.000 1.041 184 T CA 1.652 63.724 62.100 -0.047 0.000 1.159 184 T CB -0.232 68.610 68.868 -0.044 0.000 0.863 184 T HN 0.334 nan 8.240 nan 0.000 0.434 185 G N 0.801 109.576 108.800 -0.041 0.000 3.371 185 G HA2 0.309 4.268 3.960 -0.002 0.000 0.248 185 G HA3 0.309 4.268 3.960 -0.002 0.000 0.248 185 G C 0.288 175.162 174.900 -0.044 0.000 1.161 185 G CA -0.315 44.755 45.100 -0.051 0.000 0.796 185 G HN 0.226 nan 8.290 nan 0.000 0.539 186 M N 0.669 120.259 119.600 -0.017 0.000 2.288 186 M HA 0.491 4.970 4.480 -0.002 0.000 0.334 186 M C -0.265 176.053 176.300 0.031 0.000 1.150 186 M CA -0.715 54.589 55.300 0.008 0.000 1.118 186 M CB 1.347 33.968 32.600 0.036 0.000 1.501 186 M HN -0.143 nan 8.290 nan 0.000 0.462 187 I N 0.352 120.946 120.570 0.039 0.000 2.498 187 I HA 0.417 4.586 4.170 -0.002 0.000 0.290 187 I C -0.133 176.017 176.117 0.055 0.000 1.032 187 I CA -0.466 60.862 61.300 0.046 0.000 1.073 187 I CB 2.312 40.318 38.000 0.011 0.000 1.251 187 I HN 0.565 nan 8.210 nan 0.000 0.426 188 T N 4.312 118.919 114.554 0.088 0.000 2.928 188 T HA 0.419 4.768 4.350 -0.002 0.000 0.296 188 T C -0.536 174.244 174.700 0.134 0.000 1.000 188 T CA -0.080 62.046 62.100 0.044 0.000 0.989 188 T CB 0.313 69.278 68.868 0.161 0.000 1.005 188 T HN 0.527 nan 8.240 nan 0.000 0.442 189 Y N 2.530 122.781 120.300 -0.081 0.000 3.825 189 Y HA -0.250 4.300 4.550 -0.001 0.000 0.221 189 Y C 1.534 177.332 175.900 -0.169 0.000 1.195 189 Y CA 1.524 59.571 58.100 -0.089 0.000 1.699 189 Y CB -1.778 36.700 38.460 0.029 0.000 1.531 189 Y HN 1.330 nan 8.280 nan 0.000 0.640 190 G N -2.558 106.171 108.800 -0.119 0.000 2.184 190 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.264 190 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.264 190 G C 0.073 174.800 174.900 -0.287 0.000 0.975 190 G CA 0.335 45.289 45.100 -0.243 0.000 0.642 190 G HN 0.398 nan 8.290 nan 0.000 0.536 191 F N -0.270 119.702 119.950 0.036 0.000 2.518 191 F HA 0.765 5.291 4.527 -0.002 0.000 0.338 191 F C 0.654 176.475 175.800 0.035 0.000 1.065 191 F CA -1.340 56.683 58.000 0.039 0.000 1.012 191 F CB 0.912 39.948 39.000 0.060 0.000 1.297 191 F HN -0.043 nan 8.300 nan 0.000 0.489 192 K N 0.565 121.125 120.400 0.267 0.000 2.401 192 K HA 0.462 4.781 4.320 -0.002 0.000 0.278 192 K C 0.012 176.698 176.600 0.144 0.000 1.018 192 K CA 0.260 56.633 56.287 0.144 0.000 0.981 192 K CB 0.280 32.838 32.500 0.097 0.000 0.933 192 K HN 0.722 nan 8.250 nan 0.000 0.477 193 G N 0.873 109.738 108.800 0.108 0.000 3.119 193 G HA2 0.757 4.716 3.960 -0.002 0.000 0.206 193 G HA3 0.757 4.716 3.960 -0.002 0.000 0.206 193 G C -0.121 174.823 174.900 0.072 0.000 1.313 193 G CA -0.340 44.828 45.100 0.114 0.000 1.010 193 G HN 0.944 nan 8.290 nan 0.000 0.578 194 G N -2.008 106.837 108.800 0.075 0.000 2.292 194 G HA2 0.357 4.316 3.960 -0.002 0.000 0.194 194 G HA3 0.357 4.316 3.960 -0.002 0.000 0.194 194 G C -0.678 174.250 174.900 0.046 0.000 1.329 194 G CA 0.151 45.274 45.100 0.038 0.000 1.100 194 G HN 1.013 nan 8.290 nan 0.000 0.470 195 T N 0.726 115.286 114.554 0.010 0.000 2.845 195 T HA 0.653 5.002 4.350 -0.002 0.000 0.288 195 T C 0.384 175.107 174.700 0.037 0.000 0.980 195 T CA 0.580 62.702 62.100 0.036 0.000 1.071 195 T CB 1.300 70.165 68.868 -0.005 0.000 0.941 195 T HN 1.559 nan 8.240 nan 0.000 0.487 196 G N 0.640 109.477 108.800 0.061 0.000 2.659 196 G HA2 0.652 4.611 3.960 -0.002 0.000 0.296 196 G HA3 0.652 4.611 3.960 -0.002 0.000 0.296 196 G C -1.212 173.712 174.900 0.041 0.000 1.369 196 G CA -0.550 44.574 45.100 0.041 0.000 0.937 196 G HN 0.755 nan 8.290 nan 0.000 0.485 197 T N -1.302 113.263 114.554 0.018 0.000 2.853 197 T HA 0.844 5.193 4.350 -0.002 0.000 0.311 197 T C -0.946 173.738 174.700 -0.027 0.000 1.307 197 T CA 0.485 62.594 62.100 0.014 0.000 1.019 197 T CB 1.628 70.528 68.868 0.054 0.000 1.264 197 T HN 1.988 nan 8.240 nan 0.000 0.497 198 A N 1.645 124.442 122.820 -0.038 0.000 2.586 198 A HA 0.915 5.234 4.320 -0.002 0.000 0.290 198 A C -0.806 176.752 177.584 -0.044 0.000 1.086 198 A CA -0.173 51.823 52.037 -0.069 0.000 0.665 198 A CB 1.190 20.106 19.000 -0.139 0.000 1.279 198 A HN 1.725 nan 8.150 nan 0.000 0.423 199 S N 0.068 115.742 115.700 -0.043 0.000 2.596 199 S HA 0.925 5.394 4.470 -0.002 0.000 0.270 199 S C -1.412 173.174 174.600 -0.024 0.000 1.155 199 S CA -0.940 57.245 58.200 -0.026 0.000 0.827 199 S CB 1.796 64.993 63.200 -0.005 0.000 1.130 199 S HN 0.882 nan 8.310 nan 0.000 0.467 200 R N 0.511 121.005 120.500 -0.011 0.000 2.673 200 R HA 0.655 4.994 4.340 -0.002 0.000 0.281 200 R C -1.572 174.737 176.300 0.015 0.000 0.991 200 R CA -0.706 55.396 56.100 0.002 0.000 0.896 200 R CB 1.885 32.191 30.300 0.011 0.000 1.201 200 R HN 0.616 nan 8.270 nan 0.000 0.457 201 V N 3.064 122.989 119.914 0.018 0.000 2.427 201 V HA 0.518 4.637 4.120 -0.002 0.000 0.286 201 V C 0.190 176.315 176.094 0.052 0.000 1.034 201 V CA -0.664 61.654 62.300 0.030 0.000 0.893 201 V CB 1.744 33.572 31.823 0.007 0.000 0.982 201 V HN 0.586 nan 8.190 nan 0.000 0.452 202 V N 1.667 121.637 119.914 0.093 0.000 3.001 202 V HA 0.721 4.840 4.120 -0.002 0.000 0.314 202 V C -0.557 175.638 176.094 0.167 0.000 1.099 202 V CA -0.846 61.525 62.300 0.119 0.000 0.989 202 V CB 2.044 33.949 31.823 0.137 0.000 1.040 202 V HN 0.892 nan 8.190 nan 0.000 0.434 203 E N 1.554 121.847 120.200 0.154 0.000 2.179 203 E HA 0.587 4.936 4.350 -0.002 0.000 0.275 203 E C -2.232 174.533 176.600 0.275 0.000 0.945 203 E CA -0.634 55.869 56.400 0.172 0.000 0.792 203 E CB 1.967 31.712 29.700 0.074 0.000 1.125 203 E HN 0.718 nan 8.360 nan 0.000 0.397 204 F N 2.968 123.041 119.950 0.205 0.000 2.617 204 F HA 0.407 4.933 4.527 -0.000 0.000 0.325 204 F C 0.414 176.318 175.800 0.172 0.000 1.179 204 F CA 0.192 58.288 58.000 0.161 0.000 0.965 204 F CB 1.738 40.814 39.000 0.127 0.000 1.232 204 F HN 0.683 nan 8.300 nan 0.000 0.461 205 G N 3.533 112.274 108.800 -0.099 0.000 2.305 205 G HA2 0.091 4.050 3.960 -0.002 0.000 0.287 205 G HA3 0.091 4.050 3.960 -0.002 0.000 0.287 205 G C 1.191 176.144 174.900 0.089 0.000 1.036 205 G CA 1.036 46.145 45.100 0.013 0.000 0.887 205 G HN 2.285 nan 8.290 nan 0.000 0.505 206 G N -1.443 107.394 108.800 0.061 0.000 2.320 206 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.242 206 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.242 206 G C 0.705 175.628 174.900 0.039 0.000 1.033 206 G CA 0.876 46.000 45.100 0.039 0.000 0.620 206 G HN 0.939 nan 8.290 nan 0.000 0.517 207 R N 0.913 121.462 120.500 0.082 0.000 2.582 207 R HA 0.503 4.842 4.340 -0.002 0.000 0.271 207 R C -0.078 176.102 176.300 -0.200 0.000 1.078 207 R CA 0.536 56.611 56.100 -0.042 0.000 1.127 207 R CB 1.167 31.459 30.300 -0.014 0.000 1.038 207 R HN 0.260 nan 8.270 nan 0.000 0.500 208 S N 2.024 117.454 115.700 -0.451 0.000 2.454 208 S HA 0.608 5.077 4.470 -0.002 0.000 0.306 208 S C -1.203 173.020 174.600 -0.628 0.000 1.100 208 S CA -0.575 57.425 58.200 -0.333 0.000 1.087 208 S CB 0.383 63.467 63.200 -0.194 0.000 1.019 208 S HN 0.357 nan 8.310 nan 0.000 0.480 209 F N 1.222 121.180 119.950 0.012 0.000 2.640 209 F HA 0.576 5.102 4.527 -0.002 0.000 0.324 209 F C 0.507 176.295 175.800 -0.021 0.000 1.077 209 F CA -0.621 57.370 58.000 -0.015 0.000 0.965 209 F CB 2.284 41.258 39.000 -0.044 0.000 1.351 209 F HN 0.335 nan 8.300 nan 0.000 0.487 210 T N 2.068 116.722 114.554 0.165 0.000 2.887 210 T HA 0.718 5.067 4.350 -0.002 0.000 0.288 210 T C -1.071 173.652 174.700 0.037 0.000 1.021 210 T CA -0.407 61.735 62.100 0.071 0.000 1.000 210 T CB 1.631 70.519 68.868 0.033 0.000 1.034 210 T HN 0.226 nan 8.240 nan 0.000 0.467 211 I N 1.939 122.514 120.570 0.007 0.000 2.418 211 I HA 0.625 4.794 4.170 -0.002 0.000 0.287 211 I C 0.503 176.595 176.117 -0.041 0.000 1.008 211 I CA -0.141 61.140 61.300 -0.033 0.000 1.104 211 I CB 1.863 39.847 38.000 -0.027 0.000 1.264 211 I HN 0.766 nan 8.210 nan 0.000 0.438 212 G N 4.021 112.779 108.800 -0.069 0.000 2.524 212 G HA2 0.864 4.823 3.960 -0.002 0.000 0.310 212 G HA3 0.864 4.823 3.960 -0.002 0.000 0.310 212 G C -1.643 173.217 174.900 -0.067 0.000 1.279 212 G CA -0.740 44.328 45.100 -0.053 0.000 0.974 212 G HN 0.755 nan 8.290 nan 0.000 0.484 213 A N 0.780 123.574 122.820 -0.044 0.000 2.401 213 A HA 0.841 5.160 4.320 -0.002 0.000 0.310 213 A C -1.276 176.305 177.584 -0.005 0.000 1.075 213 A CA -0.653 51.362 52.037 -0.037 0.000 0.746 213 A CB 1.880 20.849 19.000 -0.051 0.000 1.277 213 A HN 1.165 nan 8.150 nan 0.000 0.425 214 L N 2.537 123.772 121.223 0.020 0.000 2.409 214 L HA 0.786 5.125 4.340 -0.002 0.000 0.272 214 L C -1.562 175.341 176.870 0.055 0.000 0.980 214 L CA -0.602 54.270 54.840 0.053 0.000 0.826 214 L CB 1.900 44.008 42.059 0.082 0.000 1.268 214 L HN 0.539 nan 8.230 nan 0.000 0.407 215 V N 3.924 123.872 119.914 0.058 0.000 2.769 215 V HA 0.424 4.543 4.120 -0.002 0.000 0.312 215 V C -0.717 175.424 176.094 0.078 0.000 1.061 215 V CA -0.482 61.852 62.300 0.056 0.000 0.931 215 V CB 2.186 34.029 31.823 0.033 0.000 1.010 215 V HN 0.826 nan 8.190 nan 0.000 0.433 216 Q N 2.973 122.819 119.800 0.078 0.000 2.462 216 Q HA 0.674 5.013 4.340 -0.002 0.000 0.247 216 Q C -0.542 175.511 176.000 0.089 0.000 1.044 216 Q CA -0.516 55.338 55.803 0.084 0.000 0.803 216 Q CB 1.246 30.034 28.738 0.082 0.000 1.190 216 Q HN 0.897 nan 8.270 nan 0.000 0.507 217 A N 3.946 126.839 122.820 0.122 0.000 2.279 217 A HA 0.347 4.666 4.320 -0.002 0.000 0.306 217 A C -0.074 177.652 177.584 0.237 0.000 1.300 217 A CA -0.449 51.716 52.037 0.214 0.000 0.925 217 A CB 0.168 19.340 19.000 0.288 0.000 1.152 217 A HN 0.841 nan 8.150 nan 0.000 0.544 218 N N 1.119 119.979 118.700 0.268 0.000 2.387 218 N HA 0.083 4.822 4.740 -0.002 0.000 0.259 218 N C -0.361 175.262 175.510 0.188 0.000 1.369 218 N CA -0.281 52.876 53.050 0.178 0.000 0.867 218 N CB 0.272 38.831 38.487 0.121 0.000 1.341 218 N HN 0.856 nan 8.380 nan 0.000 0.495 219 H N -1.499 117.552 119.070 -0.032 0.000 2.737 219 H HA 0.811 5.366 4.556 -0.002 0.000 0.358 219 H C 0.473 175.583 175.328 -0.364 0.000 1.187 219 H CA -0.148 55.842 56.048 -0.096 0.000 1.221 219 H CB 0.888 30.641 29.762 -0.015 0.000 1.799 219 H HN 0.116 nan 8.280 nan 0.000 0.568 220 G N 0.228 108.786 108.800 -0.403 0.000 2.746 220 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.685 220 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.685 220 G C -1.337 173.190 174.900 -0.620 0.000 1.350 220 G CA -0.499 44.189 45.100 -0.687 0.000 0.837 220 G HN 0.852 nan 8.290 nan 0.000 0.564 221 Q N -0.750 118.603 119.800 -0.746 0.000 2.387 221 Q HA 0.592 4.931 4.340 -0.002 0.000 0.273 221 Q C 1.262 177.039 176.000 -0.371 0.000 1.089 221 Q CA -1.095 54.254 55.803 -0.756 0.000 0.824 221 Q CB 2.022 29.905 28.738 -1.424 0.000 1.367 221 Q HN 0.607 nan 8.270 nan 0.000 0.443 222 R N 1.142 121.477 120.500 -0.275 0.000 2.113 222 R HA -0.215 4.124 4.340 -0.002 0.000 0.244 222 R C 0.865 177.125 176.300 -0.066 0.000 1.142 222 R CA 2.316 58.331 56.100 -0.141 0.000 0.953 222 R CB -0.210 29.943 30.300 -0.246 0.000 0.860 222 R HN 0.682 nan 8.270 nan 0.000 0.438 223 D N -1.016 119.285 120.400 -0.165 0.000 2.221 223 D HA -0.196 4.443 4.640 -0.002 0.000 0.204 223 D C 1.319 177.727 176.300 0.179 0.000 0.982 223 D CA 1.021 55.002 54.000 -0.033 0.000 0.857 223 D CB -0.228 40.542 40.800 -0.051 0.000 0.934 223 D HN 0.394 nan 8.370 nan 0.000 0.475 224 W N 0.474 121.841 121.300 0.113 0.000 2.770 224 W HA 0.197 4.856 4.660 -0.002 0.000 0.256 224 W C 0.540 177.105 176.519 0.078 0.000 1.291 224 W CA -0.815 56.609 57.345 0.131 0.000 1.396 224 W CB -1.130 28.467 29.460 0.228 0.000 1.114 224 W HN -0.052 nan 8.180 nan 0.000 0.637 225 L N 2.244 123.602 121.223 0.225 0.000 2.584 225 L HA 0.097 4.436 4.340 -0.002 0.000 0.272 225 L C 0.004 176.826 176.870 -0.080 0.000 1.195 225 L CA 1.344 56.106 54.840 -0.130 0.000 0.920 225 L CB 0.186 42.179 42.059 -0.111 0.000 1.173 225 L HN -0.259 nan 8.230 nan 0.000 0.489 226 T N 7.023 121.487 114.554 -0.151 0.000 2.841 226 T HA 0.621 4.970 4.350 -0.002 0.000 0.285 226 T C -0.340 174.278 174.700 -0.136 0.000 0.991 226 T CA -0.237 61.800 62.100 -0.105 0.000 0.966 226 T CB 0.874 69.705 68.868 -0.061 0.000 0.962 226 T HN 0.437 nan 8.240 nan 0.000 0.438 227 I N 2.185 122.676 120.570 -0.131 0.000 2.478 227 I HA 0.501 4.670 4.170 -0.002 0.000 0.287 227 I C 0.594 176.615 176.117 -0.161 0.000 1.042 227 I CA -0.931 60.291 61.300 -0.130 0.000 1.067 227 I CB 1.694 39.624 38.000 -0.116 0.000 1.233 227 I HN 0.892 nan 8.210 nan 0.000 0.431 228 A N 4.567 127.274 122.820 -0.188 0.000 2.832 228 A HA -0.112 4.207 4.320 -0.002 0.000 0.280 228 A C 1.417 178.907 177.584 -0.156 0.000 1.464 228 A CA 1.077 52.985 52.037 -0.214 0.000 0.804 228 A CB -1.950 16.905 19.000 -0.243 0.000 1.020 228 A HN 1.967 nan 8.150 nan 0.000 0.563 229 G N -3.702 105.021 108.800 -0.128 0.000 2.168 229 G HA2 -0.032 3.927 3.960 -0.002 0.000 0.263 229 G HA3 -0.032 3.927 3.960 -0.002 0.000 0.263 229 G C 0.360 175.169 174.900 -0.152 0.000 0.977 229 G CA 0.675 45.709 45.100 -0.108 0.000 0.659 229 G HN 1.863 nan 8.290 nan 0.000 0.533 230 V N 2.155 121.943 119.914 -0.210 0.000 2.427 230 V HA 0.468 4.587 4.120 -0.002 0.000 0.286 230 V C -1.470 174.471 176.094 -0.255 0.000 1.034 230 V CA -1.390 60.690 62.300 -0.367 0.000 0.893 230 V CB 1.815 33.366 31.823 -0.454 0.000 0.982 230 V HN 0.136 nan 8.190 nan 0.000 0.452 231 P HA 0.091 nan 4.420 nan 0.000 0.235 231 P C 0.978 178.313 177.300 0.058 0.000 1.765 231 P CA 0.193 63.260 63.100 -0.054 0.000 1.034 231 P CB 0.471 32.165 31.700 -0.010 0.000 1.984 232 V N 2.151 122.080 119.914 0.025 0.000 2.392 232 V HA -0.192 3.927 4.120 -0.002 0.000 0.249 232 V C 2.734 178.929 176.094 0.168 0.000 1.059 232 V CA 2.666 65.028 62.300 0.102 0.000 1.051 232 V CB -1.468 30.365 31.823 0.017 0.000 0.658 232 V HN 0.399 nan 8.190 nan 0.000 0.455 233 G N -0.955 107.915 108.800 0.116 0.000 2.448 233 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.219 233 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.219 233 G C 1.431 176.370 174.900 0.065 0.000 1.127 233 G CA 0.421 45.586 45.100 0.108 0.000 0.766 233 G HN 0.496 nan 8.290 nan 0.000 0.552 234 Q N -0.065 119.756 119.800 0.036 0.000 2.311 234 Q HA 0.008 4.347 4.340 -0.002 0.000 0.203 234 Q C 1.849 177.741 176.000 -0.180 0.000 0.954 234 Q CA 0.763 56.515 55.803 -0.085 0.000 0.885 234 Q CB -0.110 28.541 28.738 -0.144 0.000 0.963 234 Q HN 0.662 nan 8.270 nan 0.000 0.471 235 H N -1.298 117.816 119.070 0.073 0.000 2.553 235 H HA 0.265 4.820 4.556 -0.002 0.000 0.276 235 H C 0.361 175.739 175.328 0.084 0.000 0.979 235 H CA 0.225 56.324 56.048 0.084 0.000 1.268 235 H CB 0.693 30.519 29.762 0.108 0.000 1.450 235 H HN 0.129 nan 8.280 nan 0.000 0.527 236 M N 1.316 121.042 119.600 0.210 0.000 2.480 236 M HA 0.253 4.732 4.480 -0.002 0.000 0.320 236 M C 0.666 177.038 176.300 0.121 0.000 1.141 236 M CA -0.058 55.366 55.300 0.206 0.000 1.102 236 M CB 1.348 34.140 32.600 0.321 0.000 1.249 236 M HN -0.055 nan 8.290 nan 0.000 0.446 237 R N 0.621 121.155 120.500 0.056 0.000 2.312 237 R HA 0.072 4.411 4.340 -0.002 0.000 0.205 237 R C 0.106 176.380 176.300 -0.044 0.000 0.904 237 R CA 0.311 56.402 56.100 -0.015 0.000 1.052 237 R CB 0.346 30.638 30.300 -0.013 0.000 1.014 237 R HN 0.663 nan 8.270 nan 0.000 0.503 238 D N -0.380 120.013 120.400 -0.011 0.000 2.312 238 D HA 0.132 4.771 4.640 -0.002 0.000 0.248 238 D C 0.818 177.084 176.300 -0.057 0.000 1.086 238 D CA 0.139 54.127 54.000 -0.021 0.000 0.948 238 D CB 1.148 41.959 40.800 0.018 0.000 1.162 238 D HN 0.087 nan 8.370 nan 0.000 0.446 239 G N 1.066 109.834 108.800 -0.053 0.000 2.168 239 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.257 239 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.257 239 G C 0.516 175.347 174.900 -0.115 0.000 0.997 239 G CA 0.777 45.841 45.100 -0.061 0.000 0.708 239 G HN 1.066 nan 8.290 nan 0.000 0.520 240 T N -1.767 112.695 114.554 -0.152 0.000 2.932 240 T HA 0.446 4.795 4.350 -0.002 0.000 0.312 240 T C -0.500 174.125 174.700 -0.125 0.000 1.071 240 T CA -0.435 61.554 62.100 -0.186 0.000 1.128 240 T CB 1.593 70.346 68.868 -0.192 0.000 0.984 240 T HN -0.005 nan 8.240 nan 0.000 0.549 241 P HA -0.147 nan 4.420 nan 0.000 0.216 241 P C 1.754 179.009 177.300 -0.074 0.000 1.150 241 P CA 1.105 64.155 63.100 -0.083 0.000 0.843 241 P CB 0.049 31.701 31.700 -0.080 0.000 0.787 242 Q N -0.078 119.668 119.800 -0.091 0.000 2.061 242 Q HA -0.180 4.159 4.340 -0.002 0.000 0.204 242 Q C 2.250 178.212 176.000 -0.063 0.000 0.984 242 Q CA 2.430 58.186 55.803 -0.078 0.000 0.846 242 Q CB -0.472 28.207 28.738 -0.098 0.000 0.902 242 Q HN 0.279 nan 8.270 nan 0.000 0.421 243 S N -0.416 115.243 115.700 -0.068 0.000 2.419 243 S HA -0.204 4.265 4.470 -0.002 0.000 0.233 243 S C 1.642 176.217 174.600 -0.043 0.000 1.016 243 S CA 1.373 59.541 58.200 -0.053 0.000 0.974 243 S CB -0.211 62.955 63.200 -0.056 0.000 0.786 243 S HN 0.463 nan 8.310 nan 0.000 0.492 244 Q N 0.320 120.094 119.800 -0.043 0.000 2.331 244 Q HA 0.340 4.679 4.340 -0.002 0.000 0.203 244 Q C 0.487 176.470 176.000 -0.028 0.000 0.944 244 Q CA 0.316 56.099 55.803 -0.033 0.000 0.892 244 Q CB -0.075 28.643 28.738 -0.033 0.000 0.983 244 Q HN 0.543 nan 8.270 nan 0.000 0.482 251 I N 2.638 123.227 120.570 0.032 0.000 2.610 251 I HA 0.542 4.711 4.170 -0.002 0.000 0.289 251 I C -1.817 174.348 176.117 0.081 0.000 1.163 251 I CA -0.840 60.442 61.300 -0.030 0.000 1.044 251 I CB 0.788 38.569 38.000 -0.365 0.000 1.251 251 I HN 0.545 nan 8.210 nan 0.000 0.424 252 I N 8.116 128.738 120.570 0.086 0.000 2.336 252 I HA 0.405 4.574 4.170 -0.002 0.000 0.292 252 I C -0.249 175.953 176.117 0.142 0.000 0.991 252 I CA -0.678 60.698 61.300 0.127 0.000 1.227 252 I CB 1.484 39.536 38.000 0.086 0.000 1.366 252 I HN 0.216 nan 8.210 nan 0.000 0.466 253 V N 7.223 127.277 119.914 0.233 0.000 2.495 253 V HA 0.477 4.596 4.120 -0.002 0.000 0.298 253 V C -0.082 176.095 176.094 0.137 0.000 1.031 253 V CA -0.704 61.668 62.300 0.121 0.000 0.871 253 V CB 2.507 34.312 31.823 -0.030 0.000 0.988 253 V HN 0.424 nan 8.190 nan 0.000 0.432 254 V N 6.535 126.505 119.914 0.094 0.000 2.407 254 V HA 0.498 4.617 4.120 -0.002 0.000 0.291 254 V C -0.360 175.758 176.094 0.041 0.000 1.018 254 V CA -0.422 61.951 62.300 0.123 0.000 0.842 254 V CB 1.638 33.562 31.823 0.168 0.000 0.996 254 V HN 0.631 nan 8.190 nan 0.000 0.426 255 L N 4.384 125.607 121.223 0.000 0.000 2.307 255 L HA 0.910 5.249 4.340 -0.002 0.000 0.284 255 L C 0.177 176.847 176.870 -0.333 0.000 1.023 255 L CA -0.394 54.380 54.840 -0.110 0.000 0.810 255 L CB 1.869 43.886 42.059 -0.070 0.000 1.231 255 L HN 0.735 nan 8.230 nan 0.000 0.423 256 A N 1.987 124.554 122.820 -0.422 0.000 2.386 256 A HA 0.842 5.161 4.320 -0.002 0.000 0.311 256 A C -0.643 176.717 177.584 -0.373 0.000 1.068 256 A CA -0.466 51.105 52.037 -0.775 0.000 0.743 256 A CB 2.131 20.645 19.000 -0.811 0.000 1.258 256 A HN 0.560 nan 8.150 nan 0.000 0.429 257 T N -0.463 113.903 114.554 -0.313 0.000 2.843 257 T HA 0.489 4.838 4.350 -0.002 0.000 0.302 257 T C -0.855 173.809 174.700 -0.061 0.000 1.232 257 T CA 0.096 62.115 62.100 -0.136 0.000 1.009 257 T CB 1.440 70.233 68.868 -0.125 0.000 1.254 257 T HN 0.702 nan 8.240 nan 0.000 0.504 258 D N 1.954 122.376 120.400 0.037 0.000 2.363 258 D HA 0.153 4.792 4.640 -0.002 0.000 0.214 258 D C 0.679 177.053 176.300 0.124 0.000 1.093 258 D CA -0.330 53.742 54.000 0.120 0.000 0.837 258 D CB -0.209 40.696 40.800 0.175 0.000 0.948 258 D HN 0.264 nan 8.370 nan 0.000 0.507 259 L N 2.409 123.559 121.223 -0.121 0.000 2.453 259 L HA 0.229 4.568 4.340 -0.002 0.000 0.272 259 L C -2.279 174.388 176.870 -0.339 0.000 1.182 259 L CA -1.500 52.984 54.840 -0.594 0.000 0.858 259 L CB 0.332 41.956 42.059 -0.725 0.000 1.120 259 L HN -0.158 nan 8.230 nan 0.000 0.474 260 P HA 0.166 nan 4.420 nan 0.000 0.273 260 P C -1.279 175.896 177.300 -0.208 0.000 1.428 260 P CA -0.276 62.726 63.100 -0.164 0.000 0.995 260 P CB 0.549 32.191 31.700 -0.096 0.000 1.286 261 L N 4.361 125.493 121.223 -0.151 0.000 2.381 261 L HA 0.519 4.858 4.340 -0.002 0.000 0.268 261 L C 0.524 177.303 176.870 -0.153 0.000 0.997 261 L CA -0.912 53.824 54.840 -0.174 0.000 0.818 261 L CB 1.778 43.744 42.059 -0.155 0.000 1.310 261 L HN 0.282 nan 8.230 nan 0.000 0.416 262 M N 3.153 122.614 119.600 -0.232 0.000 2.371 262 M HA 0.350 4.829 4.480 -0.002 0.000 0.301 262 M C -1.279 174.920 176.300 -0.168 0.000 1.173 262 M CA -1.919 53.228 55.300 -0.255 0.000 1.020 262 M CB 0.607 33.101 32.600 -0.177 0.000 1.490 262 M HN 0.213 nan 8.290 nan 0.000 0.485 263 P HA -0.199 nan 4.420 nan 0.000 0.216 263 P C 1.331 178.665 177.300 0.056 0.000 1.153 263 P CA 1.715 64.854 63.100 0.066 0.000 0.858 263 P CB -0.365 31.399 31.700 0.107 0.000 0.789 264 H N -0.631 118.442 119.070 0.006 0.000 2.457 264 H HA -0.016 4.539 4.556 -0.002 0.000 0.294 264 H C 1.486 176.832 175.328 0.031 0.000 1.064 264 H CA 1.151 57.210 56.048 0.018 0.000 1.330 264 H CB -0.866 28.899 29.762 0.006 0.000 1.395 264 H HN 0.250 nan 8.280 nan 0.000 0.541 265 Q N 0.390 119.902 119.800 -0.480 0.000 2.212 265 Q HA 0.105 4.444 4.340 -0.002 0.000 0.199 265 Q C 2.648 178.604 176.000 -0.073 0.000 0.950 265 Q CA 0.595 56.236 55.803 -0.270 0.000 0.863 265 Q CB 0.325 28.852 28.738 -0.351 0.000 0.944 265 Q HN 0.369 nan 8.270 nan 0.000 0.465 266 L N 0.682 121.874 121.223 -0.051 0.000 2.141 266 L HA -0.161 4.178 4.340 -0.002 0.000 0.209 266 L C 2.195 179.106 176.870 0.069 0.000 1.094 266 L CA 1.087 55.948 54.840 0.035 0.000 0.763 266 L CB -0.179 41.933 42.059 0.089 0.000 0.908 266 L HN 0.108 nan 8.230 nan 0.000 0.437 267 K N -0.107 120.335 120.400 0.069 0.000 2.097 267 K HA -0.166 4.153 4.320 -0.002 0.000 0.206 267 K C 2.235 178.862 176.600 0.046 0.000 1.049 267 K CA 1.282 57.621 56.287 0.086 0.000 0.933 267 K CB -0.103 32.453 32.500 0.093 0.000 0.717 267 K HN 0.300 nan 8.250 nan 0.000 0.442 268 R N 0.495 121.008 120.500 0.023 0.000 2.092 268 R HA -0.101 4.238 4.340 -0.002 0.000 0.231 268 R C 2.337 178.589 176.300 -0.079 0.000 1.119 268 R CA 0.796 56.874 56.100 -0.038 0.000 0.970 268 R CB -0.360 29.950 30.300 0.017 0.000 0.864 268 R HN 0.090 nan 8.270 nan 0.000 0.440 269 L N 0.917 122.160 121.223 0.033 0.000 2.046 269 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 269 L C 2.261 179.134 176.870 0.004 0.000 1.077 269 L CA 1.928 56.800 54.840 0.052 0.000 0.747 269 L CB -0.608 41.506 42.059 0.092 0.000 0.896 269 L HN 0.126 nan 8.230 nan 0.000 0.432 270 A N -0.716 122.139 122.820 0.059 0.000 1.972 270 A HA -0.236 4.083 4.320 -0.002 0.000 0.219 270 A C 2.516 180.192 177.584 0.153 0.000 1.169 270 A CA 1.683 53.801 52.037 0.136 0.000 0.635 270 A CB -0.650 18.488 19.000 0.230 0.000 0.810 270 A HN 0.488 nan 8.150 nan 0.000 0.446 271 R N -0.846 119.652 120.500 -0.003 0.000 2.189 271 R HA -0.073 4.266 4.340 -0.002 0.000 0.223 271 R C 1.847 178.053 176.300 -0.157 0.000 1.092 271 R CA 0.629 56.603 56.100 -0.210 0.000 0.989 271 R CB -0.076 29.985 30.300 -0.399 0.000 0.876 271 R HN 0.282 nan 8.270 nan 0.000 0.457 272 R N -0.120 120.269 120.500 -0.186 0.000 2.189 272 R HA -0.029 4.310 4.340 -0.002 0.000 0.223 272 R C 1.847 178.016 176.300 -0.217 0.000 1.092 272 R CA 1.061 57.033 56.100 -0.213 0.000 0.989 272 R CB -0.635 29.528 30.300 -0.228 0.000 0.876 272 R HN 0.222 nan 8.270 nan 0.000 0.457 273 A N 0.575 123.220 122.820 -0.293 0.000 2.125 273 A HA -0.085 4.234 4.320 -0.002 0.000 0.219 273 A C 2.197 179.362 177.584 -0.699 0.000 1.156 273 A CA 1.310 52.981 52.037 -0.611 0.000 0.671 273 A CB -0.301 18.061 19.000 -1.063 0.000 0.794 273 A HN 0.228 nan 8.150 nan 0.000 0.459 274 S N 0.059 115.560 115.700 -0.331 0.000 2.359 274 S HA -0.141 4.328 4.470 -0.002 0.000 0.224 274 S C 1.755 176.188 174.600 -0.278 0.000 1.035 274 S CA 1.576 59.603 58.200 -0.289 0.000 1.018 274 S CB -0.434 62.699 63.200 -0.111 0.000 0.876 274 S HN 0.612 nan 8.310 nan 0.000 0.448 275 I N 1.422 121.882 120.570 -0.184 0.000 2.315 275 I HA -0.096 4.073 4.170 -0.002 0.000 0.248 275 I C 2.689 178.734 176.117 -0.119 0.000 1.117 275 I CA 0.960 62.187 61.300 -0.122 0.000 1.404 275 I CB -0.865 37.081 38.000 -0.089 0.000 1.071 275 I HN 0.365 nan 8.210 nan 0.000 0.419 276 G N 2.184 110.884 108.800 -0.167 0.000 2.446 276 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.217 276 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.217 276 G C 1.648 176.486 174.900 -0.105 0.000 1.168 276 G CA 1.194 46.211 45.100 -0.138 0.000 0.771 276 G HN 0.597 nan 8.290 nan 0.000 0.551 277 I N -1.435 119.033 120.570 -0.170 0.000 2.617 277 I HA 0.227 4.396 4.170 -0.002 0.000 0.256 277 I C 2.525 178.682 176.117 0.066 0.000 1.167 277 I CA 1.034 62.318 61.300 -0.027 0.000 1.469 277 I CB -0.501 37.455 38.000 -0.074 0.000 1.098 277 I HN 0.038 nan 8.210 nan 0.000 0.436 278 G N 1.392 110.178 108.800 -0.024 0.000 2.448 278 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.219 278 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.219 278 G C 1.711 176.632 174.900 0.035 0.000 1.127 278 G CA 0.121 45.225 45.100 0.007 0.000 0.766 278 G HN 0.221 nan 8.290 nan 0.000 0.552 279 R N 0.631 121.148 120.500 0.028 0.000 2.127 279 R HA -0.021 4.318 4.340 -0.002 0.000 0.238 279 R C 1.420 177.737 176.300 0.028 0.000 1.134 279 R CA 0.817 56.932 56.100 0.025 0.000 0.975 279 R CB -0.411 29.908 30.300 0.031 0.000 0.865 279 R HN 0.325 nan 8.270 nan 0.000 0.447 280 N N -0.740 118.001 118.700 0.068 0.000 2.322 280 N HA 0.044 4.783 4.740 -0.002 0.000 0.194 280 N C 0.922 176.411 175.510 -0.035 0.000 1.126 280 N CA 0.882 53.918 53.050 -0.024 0.000 0.845 280 N CB 1.280 39.730 38.487 -0.061 0.000 0.976 280 N HN 0.428 nan 8.380 nan 0.000 0.475 281 G N -0.050 108.819 108.800 0.116 0.000 2.316 281 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.203 281 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.203 281 G C 0.389 175.408 174.900 0.198 0.000 0.999 281 G CA 0.092 45.289 45.100 0.161 0.000 0.649 281 G HN 0.374 nan 8.290 nan 0.000 0.489 282 T N 2.798 117.565 114.554 0.355 0.000 2.932 282 T HA 0.468 4.817 4.350 -0.002 0.000 0.312 282 T C -0.484 174.129 174.700 -0.144 0.000 1.071 282 T CA 0.118 62.292 62.100 0.124 0.000 1.128 282 T CB 1.279 70.346 68.868 0.332 0.000 0.984 282 T HN 0.145 nan 8.240 nan 0.000 0.549 283 P HA 0.285 nan 4.420 nan 0.000 0.267 283 P C 0.234 177.517 177.300 -0.027 0.000 1.289 283 P CA 0.123 63.072 63.100 -0.252 0.000 0.866 283 P CB -0.120 31.323 31.700 -0.428 0.000 1.309 284 G N 0.194 109.024 108.800 0.050 0.000 2.929 284 G HA2 0.070 4.029 3.960 -0.002 0.000 0.335 284 G HA3 0.070 4.029 3.960 -0.002 0.000 0.335 284 G C 0.206 175.210 174.900 0.173 0.000 1.054 284 G CA -0.683 44.592 45.100 0.292 0.000 1.067 284 G HN 0.489 nan 8.290 nan 0.000 0.472 285 G N 0.798 109.730 108.800 0.221 0.000 2.527 285 G HA2 0.421 4.380 3.960 -0.002 0.000 0.248 285 G HA3 0.421 4.380 3.960 -0.002 0.000 0.248 285 G C 0.993 175.973 174.900 0.134 0.000 1.231 285 G CA 0.433 45.670 45.100 0.229 0.000 0.838 285 G HN 0.943 nan 8.290 nan 0.000 0.570 286 N N 0.760 119.518 118.700 0.096 0.000 2.120 286 N HA -0.148 4.591 4.740 -0.002 0.000 0.188 286 N C 1.675 177.201 175.510 0.028 0.000 1.024 286 N CA 1.564 54.637 53.050 0.038 0.000 0.852 286 N CB 0.006 38.508 38.487 0.026 0.000 1.003 286 N HN 0.404 nan 8.380 nan 0.000 0.424 287 N N -0.517 118.207 118.700 0.041 0.000 2.461 287 N HA 0.014 4.753 4.740 -0.002 0.000 0.188 287 N C -0.626 174.899 175.510 0.026 0.000 1.134 287 N CA 0.183 53.238 53.050 0.009 0.000 0.878 287 N CB -0.010 38.473 38.487 -0.007 0.000 0.972 287 N HN 0.075 nan 8.380 nan 0.000 0.456 288 S N -0.138 115.605 115.700 0.071 0.000 2.439 288 S HA 0.425 4.894 4.470 -0.002 0.000 0.282 288 S C 0.511 175.150 174.600 0.065 0.000 1.170 288 S CA -0.851 57.407 58.200 0.098 0.000 1.054 288 S CB 0.269 63.574 63.200 0.175 0.000 0.956 288 S HN 0.296 nan 8.310 nan 0.000 0.490 289 G N 3.850 112.675 108.800 0.041 0.000 2.621 289 G HA2 0.265 4.224 3.960 -0.002 0.000 0.306 289 G HA3 0.265 4.224 3.960 -0.002 0.000 0.306 289 G C -0.786 174.115 174.900 0.002 0.000 0.893 289 G CA -0.521 44.582 45.100 0.004 0.000 1.486 289 G HN 0.667 nan 8.290 nan 0.000 0.477 290 D N 2.419 122.808 120.400 -0.017 0.000 2.467 290 D HA 0.366 5.005 4.640 -0.002 0.000 0.220 290 D C 0.128 176.156 176.300 -0.454 0.000 1.103 290 D CA 0.148 54.114 54.000 -0.056 0.000 0.886 290 D CB 1.440 42.341 40.800 0.169 0.000 1.025 290 D HN 0.267 nan 8.370 nan 0.000 0.514 291 I N 2.256 122.589 120.570 -0.396 0.000 2.499 291 I HA 0.377 4.546 4.170 -0.002 0.000 0.288 291 I C -0.964 175.035 176.117 -0.196 0.000 1.048 291 I CA -0.951 60.065 61.300 -0.474 0.000 1.062 291 I CB 1.379 39.260 38.000 -0.199 0.000 1.238 291 I HN -0.028 nan 8.210 nan 0.000 0.426 292 F N 6.437 126.415 119.950 0.047 0.000 2.495 292 F HA 0.647 5.173 4.527 -0.001 0.000 0.327 292 F C -0.169 175.677 175.800 0.076 0.000 1.103 292 F CA -1.329 56.708 58.000 0.061 0.000 0.949 292 F CB 1.609 40.662 39.000 0.088 0.000 1.142 292 F HN 0.220 nan 8.300 nan 0.000 0.457 293 I N 1.938 122.665 120.570 0.261 0.000 2.545 293 I HA 0.855 5.024 4.170 -0.002 0.000 0.292 293 I C -1.368 174.888 176.117 0.232 0.000 1.040 293 I CA -0.629 60.797 61.300 0.210 0.000 1.068 293 I CB 1.597 39.677 38.000 0.133 0.000 1.251 293 I HN 0.737 nan 8.210 nan 0.000 0.424 294 A N 6.869 129.832 122.820 0.238 0.000 2.386 294 A HA 0.844 5.163 4.320 -0.002 0.000 0.311 294 A C -1.312 176.453 177.584 0.302 0.000 1.068 294 A CA -0.425 51.714 52.037 0.171 0.000 0.743 294 A CB 1.089 20.148 19.000 0.098 0.000 1.258 294 A HN 0.701 nan 8.150 nan 0.000 0.429 295 F N 0.309 120.357 119.950 0.163 0.000 2.613 295 F HA 0.845 5.372 4.527 -0.001 0.000 0.310 295 F C -0.263 175.593 175.800 0.092 0.000 1.085 295 F CA -0.864 57.242 58.000 0.176 0.000 0.945 295 F CB 1.473 40.637 39.000 0.273 0.000 1.298 295 F HN 0.508 nan 8.300 nan 0.000 0.455 296 S N 0.230 116.100 115.700 0.284 0.000 2.578 296 S HA 0.494 4.963 4.470 -0.002 0.000 0.301 296 S C 0.063 174.810 174.600 0.244 0.000 1.091 296 S CA -0.269 58.021 58.200 0.151 0.000 1.032 296 S CB 1.735 65.002 63.200 0.113 0.000 1.064 296 S HN 0.861 nan 8.310 nan 0.000 0.508 297 T N 2.543 117.192 114.554 0.158 0.000 3.069 297 T HA 0.456 4.805 4.350 -0.002 0.000 0.252 297 T C 0.573 175.411 174.700 0.231 0.000 1.053 297 T CA 0.322 62.514 62.100 0.153 0.000 0.964 297 T CB -0.336 68.544 68.868 0.019 0.000 1.005 297 T HN 0.747 nan 8.240 nan 0.000 0.532 298 A N 1.104 124.031 122.820 0.178 0.000 2.259 298 A HA 0.549 4.868 4.320 -0.002 0.000 0.278 298 A C 0.572 178.259 177.584 0.171 0.000 1.107 298 A CA -0.385 51.749 52.037 0.161 0.000 0.828 298 A CB -0.171 18.895 19.000 0.111 0.000 1.111 298 A HN 0.572 nan 8.150 nan 0.000 0.498 299 N N -0.830 117.950 118.700 0.134 0.000 2.756 299 N HA -0.145 4.594 4.740 -0.002 0.000 0.248 299 N C -0.690 174.866 175.510 0.078 0.000 1.062 299 N CA 0.770 53.904 53.050 0.139 0.000 0.696 299 N CB -1.212 37.429 38.487 0.257 0.000 0.946 299 N HN 0.749 nan 8.380 nan 0.000 0.548 300 Q N 0.647 120.450 119.800 0.004 0.000 2.315 300 Q HA 0.168 4.507 4.340 -0.002 0.000 0.289 300 Q C 0.626 176.558 176.000 -0.114 0.000 1.044 300 Q CA 0.552 56.281 55.803 -0.124 0.000 0.920 300 Q CB 0.590 29.214 28.738 -0.189 0.000 1.214 300 Q HN 0.475 nan 8.270 nan 0.000 0.392 301 R N 1.248 121.640 120.500 -0.180 0.000 2.752 301 R HA 0.645 4.984 4.340 -0.002 0.000 0.271 301 R C -3.020 173.153 176.300 -0.211 0.000 1.026 301 R CA -1.955 54.050 56.100 -0.158 0.000 0.901 301 R CB 0.507 30.729 30.300 -0.130 0.000 1.243 301 R HN 0.270 nan 8.270 nan 0.000 0.463 302 P HA 0.195 nan 4.420 nan 0.000 0.276 302 P C -0.353 176.805 177.300 -0.237 0.000 1.261 302 P CA -0.590 62.382 63.100 -0.214 0.000 0.800 302 P CB 0.536 32.117 31.700 -0.198 0.000 1.066 303 M N 0.433 119.892 119.600 -0.236 0.000 2.219 303 M HA -0.027 4.452 4.480 -0.002 0.000 0.307 303 M C 2.041 178.272 176.300 -0.114 0.000 1.116 303 M CA 0.464 55.665 55.300 -0.165 0.000 1.181 303 M CB -0.013 32.560 32.600 -0.045 0.000 1.410 303 M HN 0.476 nan 8.290 nan 0.000 0.454 304 Q N 1.102 120.903 119.800 0.001 0.000 2.077 304 Q HA -0.258 4.081 4.340 -0.002 0.000 0.206 304 Q C 1.676 177.702 176.000 0.044 0.000 0.989 304 Q CA 2.556 58.390 55.803 0.052 0.000 0.853 304 Q CB -0.219 28.617 28.738 0.163 0.000 0.907 304 Q HN 0.897 nan 8.270 nan 0.000 0.418 305 H N -1.908 117.112 119.070 -0.084 0.000 2.545 305 H HA 0.059 4.614 4.556 -0.002 0.000 0.282 305 H C 1.254 176.529 175.328 -0.088 0.000 1.020 305 H CA 0.845 56.842 56.048 -0.085 0.000 1.243 305 H CB 0.108 29.801 29.762 -0.114 0.000 1.377 305 H HN 0.137 nan 8.280 nan 0.000 0.581 306 R N 0.494 120.696 120.500 -0.496 0.000 2.437 306 R HA 0.263 4.602 4.340 -0.002 0.000 0.257 306 R C -0.201 175.967 176.300 -0.221 0.000 0.927 306 R CA -0.092 55.766 56.100 -0.404 0.000 1.078 306 R CB 0.991 30.980 30.300 -0.517 0.000 1.161 306 R HN 0.114 nan 8.270 nan 0.000 0.529 307 S N 0.967 116.570 115.700 -0.161 0.000 2.601 307 S HA 0.470 4.939 4.470 -0.002 0.000 0.271 307 S C 0.262 174.814 174.600 -0.079 0.000 1.305 307 S CA -0.657 57.478 58.200 -0.109 0.000 1.022 307 S CB 1.579 64.727 63.200 -0.085 0.000 0.940 307 S HN 0.330 nan 8.310 nan 0.000 0.525 308 A N 2.680 125.466 122.820 -0.056 0.000 2.327 308 A HA 0.463 4.782 4.320 -0.002 0.000 0.255 308 A C -1.233 176.305 177.584 -0.076 0.000 1.099 308 A CA -1.125 50.891 52.037 -0.036 0.000 0.801 308 A CB -0.598 18.408 19.000 0.010 0.000 1.062 308 A HN 0.615 nan 8.150 nan 0.000 0.496 309 P HA 0.023 nan 4.420 nan 0.000 0.221 309 P C -0.341 176.573 177.300 -0.643 0.000 1.150 309 P CA 1.148 64.020 63.100 -0.379 0.000 0.800 309 P CB 0.008 31.432 31.700 -0.459 0.000 0.787 310 F N -0.636 119.324 119.950 0.016 0.000 2.507 310 F HA 0.430 4.956 4.527 -0.002 0.000 0.325 310 F C 0.253 176.061 175.800 0.014 0.000 1.116 310 F CA -1.061 56.949 58.000 0.018 0.000 0.930 310 F CB 1.329 40.338 39.000 0.014 0.000 1.146 310 F HN -0.378 nan 8.300 nan 0.000 0.447 311 L N 2.921 124.250 121.223 0.176 0.000 2.334 311 L HA 0.507 4.846 4.340 -0.002 0.000 0.273 311 L C -0.724 176.210 176.870 0.106 0.000 1.013 311 L CA -0.730 54.177 54.840 0.111 0.000 0.816 311 L CB 1.460 43.568 42.059 0.082 0.000 1.278 311 L HN 0.449 nan 8.230 nan 0.000 0.431 312 D N 1.881 122.327 120.400 0.076 0.000 2.233 312 D HA 0.487 5.126 4.640 -0.002 0.000 0.240 312 D C -0.738 175.593 176.300 0.051 0.000 1.074 312 D CA -0.047 53.987 54.000 0.057 0.000 0.838 312 D CB 2.509 43.334 40.800 0.042 0.000 1.124 312 D HN 0.054 nan 8.370 nan 0.000 0.475 313 V N 1.774 121.712 119.914 0.040 0.000 2.914 313 V HA 0.282 4.401 4.120 -0.002 0.000 0.314 313 V C -0.165 175.939 176.094 0.017 0.000 1.084 313 V CA -0.823 61.496 62.300 0.031 0.000 0.963 313 V CB 2.740 34.565 31.823 0.003 0.000 1.025 313 V HN 0.452 nan 8.190 nan 0.000 0.432 314 E N 3.249 123.459 120.200 0.017 0.000 2.179 314 E HA 0.682 5.031 4.350 -0.002 0.000 0.275 314 E C -1.052 175.535 176.600 -0.022 0.000 0.945 314 E CA -0.595 55.812 56.400 0.011 0.000 0.792 314 E CB 1.683 31.402 29.700 0.031 0.000 1.125 314 E HN 0.669 nan 8.360 nan 0.000 0.397 315 M N 4.630 124.213 119.600 -0.027 0.000 2.386 315 M HA 0.335 4.814 4.480 -0.002 0.000 0.293 315 M C -1.576 174.694 176.300 -0.050 0.000 1.120 315 M CA -0.864 54.399 55.300 -0.062 0.000 0.909 315 M CB 1.923 34.499 32.600 -0.041 0.000 1.661 315 M HN 0.405 nan 8.290 nan 0.000 0.452 316 V N 3.983 123.827 119.914 -0.117 0.000 2.924 316 V HA 0.117 4.236 4.120 -0.002 0.000 0.305 316 V C 0.391 176.504 176.094 0.032 0.000 1.073 316 V CA -0.069 62.192 62.300 -0.065 0.000 1.098 316 V CB 1.353 32.957 31.823 -0.365 0.000 1.000 316 V HN 0.966 nan 8.190 nan 0.000 0.484 317 N N 2.764 121.546 118.700 0.136 0.000 2.482 317 N HA 0.032 4.771 4.740 -0.002 0.000 0.260 317 N C 0.177 175.760 175.510 0.121 0.000 1.236 317 N CA -0.599 52.514 53.050 0.104 0.000 0.938 317 N CB 0.732 39.269 38.487 0.083 0.000 1.128 317 N HN 0.648 nan 8.380 nan 0.000 0.448 318 D N 1.511 121.952 120.400 0.068 0.000 2.323 318 D HA -0.111 4.528 4.640 -0.002 0.000 0.209 318 D C 1.186 177.505 176.300 0.032 0.000 0.973 318 D CA 0.617 54.645 54.000 0.047 0.000 0.874 318 D CB 0.181 41.013 40.800 0.053 0.000 0.930 318 D HN 0.702 nan 8.370 nan 0.000 0.521 319 E N 1.197 121.411 120.200 0.023 0.000 2.070 319 E HA -0.154 4.195 4.350 -0.002 0.000 0.197 319 E C -0.888 175.686 176.600 -0.043 0.000 1.004 319 E CA 1.256 57.650 56.400 -0.010 0.000 0.805 319 E CB -0.332 29.353 29.700 -0.025 0.000 0.744 319 E HN 0.171 nan 8.360 nan 0.000 0.451 320 P HA 0.052 nan 4.420 nan 0.000 0.253 320 P C 0.520 177.812 177.300 -0.013 0.000 1.260 320 P CA 0.360 63.363 63.100 -0.161 0.000 0.800 320 P CB 0.110 31.470 31.700 -0.567 0.000 1.162 321 L N -0.499 120.714 121.223 -0.016 0.000 2.465 321 L HA -0.097 4.242 4.340 -0.002 0.000 0.224 321 L C 1.472 178.100 176.870 -0.403 0.000 1.145 321 L CA 0.816 55.518 54.840 -0.230 0.000 0.834 321 L CB -0.565 41.171 42.059 -0.537 0.000 0.944 321 L HN -0.048 nan 8.230 nan 0.000 0.451 322 D N -0.345 119.949 120.400 -0.175 0.000 2.149 322 D HA -0.187 4.452 4.640 -0.002 0.000 0.198 322 D C 2.252 178.551 176.300 -0.002 0.000 0.990 322 D CA 1.955 55.933 54.000 -0.036 0.000 0.839 322 D CB -0.236 40.585 40.800 0.034 0.000 0.948 322 D HN 0.379 nan 8.370 nan 0.000 0.460 323 T N -1.720 112.829 114.554 -0.009 0.000 2.915 323 T HA -0.073 4.276 4.350 -0.002 0.000 0.269 323 T C 2.129 176.849 174.700 0.033 0.000 1.071 323 T CA 0.703 62.820 62.100 0.027 0.000 1.132 323 T CB -0.561 68.329 68.868 0.037 0.000 0.878 323 T HN -0.008 nan 8.240 nan 0.000 0.479 324 V N 0.282 120.187 119.914 -0.015 0.000 2.379 324 V HA -0.079 4.040 4.120 -0.002 0.000 0.245 324 V C 2.474 178.601 176.094 0.054 0.000 1.044 324 V CA 1.239 63.520 62.300 -0.033 0.000 1.036 324 V CB -0.869 30.859 31.823 -0.158 0.000 0.664 324 V HN 0.377 nan 8.190 nan 0.000 0.453 325 Y N -0.468 119.833 120.300 0.001 0.000 2.128 325 Y HA -0.197 4.352 4.550 -0.002 0.000 0.284 325 Y C 2.240 178.132 175.900 -0.014 0.000 1.154 325 Y CA 1.010 59.102 58.100 -0.015 0.000 1.149 325 Y CB -1.059 37.395 38.460 -0.010 0.000 0.976 325 Y HN 0.178 nan 8.280 nan 0.000 0.505 326 L N 0.161 121.483 121.223 0.164 0.000 2.046 326 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 326 L C 2.378 179.287 176.870 0.064 0.000 1.077 326 L CA 1.996 56.890 54.840 0.090 0.000 0.747 326 L CB -1.179 40.922 42.059 0.070 0.000 0.896 326 L HN 0.133 nan 8.230 nan 0.000 0.432 327 A N -0.733 122.123 122.820 0.059 0.000 1.933 327 A HA -0.108 4.211 4.320 -0.002 0.000 0.218 327 A C 2.445 180.043 177.584 0.023 0.000 1.175 327 A CA 1.776 53.836 52.037 0.038 0.000 0.628 327 A CB -1.073 17.948 19.000 0.034 0.000 0.814 327 A HN 0.557 nan 8.150 nan 0.000 0.444 328 A N -0.481 122.360 122.820 0.034 0.000 1.858 328 A HA -0.021 4.298 4.320 -0.002 0.000 0.216 328 A C 2.239 179.807 177.584 -0.026 0.000 1.190 328 A CA 1.832 53.870 52.037 0.002 0.000 0.617 328 A CB -1.064 17.948 19.000 0.019 0.000 0.827 328 A HN 0.399 nan 8.150 nan 0.000 0.443 329 V N 0.784 120.689 119.914 -0.015 0.000 2.287 329 V HA -0.286 3.833 4.120 -0.002 0.000 0.248 329 V C 2.224 178.311 176.094 -0.012 0.000 1.053 329 V CA 2.468 64.747 62.300 -0.035 0.000 1.027 329 V CB -0.904 30.908 31.823 -0.018 0.000 0.646 329 V HN 0.511 nan 8.190 nan 0.000 0.447 330 D N 0.260 120.671 120.400 0.018 0.000 2.144 330 D HA -0.124 4.515 4.640 -0.002 0.000 0.199 330 D C 2.437 178.742 176.300 0.008 0.000 0.984 330 D CA 1.746 55.774 54.000 0.047 0.000 0.834 330 D CB -0.330 40.509 40.800 0.066 0.000 0.955 330 D HN 0.612 nan 8.370 nan 0.000 0.465 331 S N -0.142 115.543 115.700 -0.025 0.000 2.383 331 S HA -0.094 4.375 4.470 -0.002 0.000 0.227 331 S C 2.204 176.761 174.600 -0.073 0.000 1.026 331 S CA 0.711 58.873 58.200 -0.063 0.000 0.981 331 S CB -0.592 62.577 63.200 -0.053 0.000 0.818 331 S HN 0.085 nan 8.310 nan 0.000 0.472 332 V N 2.434 122.308 119.914 -0.066 0.000 2.358 332 V HA -0.154 3.965 4.120 -0.002 0.000 0.246 332 V C 2.853 178.926 176.094 -0.035 0.000 1.047 332 V CA 2.180 64.433 62.300 -0.077 0.000 1.035 332 V CB -0.834 30.907 31.823 -0.138 0.000 0.658 332 V HN 0.659 nan 8.190 nan 0.000 0.452 333 E N 0.264 120.465 120.200 0.001 0.000 2.051 333 E HA -0.308 4.041 4.350 -0.002 0.000 0.192 333 E C 2.251 178.886 176.600 0.059 0.000 0.991 333 E CA 1.772 58.219 56.400 0.078 0.000 0.799 333 E CB -0.136 29.648 29.700 0.140 0.000 0.748 333 E HN 0.720 nan 8.360 nan 0.000 0.449 334 E N -0.168 119.968 120.200 -0.106 0.000 2.110 334 E HA -0.206 4.143 4.350 -0.002 0.000 0.193 334 E C 1.893 178.323 176.600 -0.284 0.000 0.988 334 E CA 1.036 57.113 56.400 -0.537 0.000 0.804 334 E CB -0.142 29.041 29.700 -0.863 0.000 0.745 334 E HN 0.362 nan 8.360 nan 0.000 0.458 335 A N 0.340 123.076 122.820 -0.139 0.000 1.902 335 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 335 A C 2.399 179.982 177.584 -0.002 0.000 1.181 335 A CA 1.408 53.406 52.037 -0.066 0.000 0.623 335 A CB -0.680 18.299 19.000 -0.035 0.000 0.818 335 A HN 0.221 nan 8.150 nan 0.000 0.443 336 V N -0.264 119.676 119.914 0.043 0.000 2.295 336 V HA -0.244 3.875 4.120 -0.002 0.000 0.246 336 V C 2.599 178.762 176.094 0.116 0.000 1.049 336 V CA 2.095 64.474 62.300 0.132 0.000 1.024 336 V CB -0.788 31.165 31.823 0.216 0.000 0.648 336 V HN 0.379 nan 8.190 nan 0.000 0.447 337 V N 0.364 120.334 119.914 0.094 0.000 2.343 337 V HA -0.301 3.818 4.120 -0.002 0.000 0.247 337 V C 2.078 178.196 176.094 0.040 0.000 1.051 337 V CA 2.446 64.804 62.300 0.097 0.000 1.036 337 V CB -1.106 30.854 31.823 0.229 0.000 0.654 337 V HN 0.624 nan 8.190 nan 0.000 0.451 338 N N 0.197 118.886 118.700 -0.019 0.000 2.149 338 N HA -0.184 4.555 4.740 -0.002 0.000 0.188 338 N C 1.932 177.445 175.510 0.004 0.000 1.019 338 N CA 1.201 54.232 53.050 -0.032 0.000 0.857 338 N CB -0.278 38.169 38.487 -0.066 0.000 0.997 338 N HN 0.509 nan 8.380 nan 0.000 0.426 339 A N 1.090 123.929 122.820 0.031 0.000 1.902 339 A HA -0.146 4.173 4.320 -0.002 0.000 0.217 339 A C 2.128 179.745 177.584 0.055 0.000 1.181 339 A CA 1.275 53.340 52.037 0.047 0.000 0.623 339 A CB -0.426 18.622 19.000 0.080 0.000 0.818 339 A HN 0.215 nan 8.150 nan 0.000 0.443 340 M N -0.686 118.953 119.600 0.066 0.000 2.175 340 M HA -0.068 4.411 4.480 -0.002 0.000 0.264 340 M C 1.800 178.122 176.300 0.037 0.000 1.063 340 M CA 1.037 56.371 55.300 0.057 0.000 1.119 340 M CB -0.354 32.273 32.600 0.046 0.000 1.377 340 M HN 0.274 nan 8.290 nan 0.000 0.415 341 I N 0.466 121.048 120.570 0.020 0.000 2.315 341 I HA -0.140 4.029 4.170 -0.002 0.000 0.248 341 I C 2.579 178.759 176.117 0.105 0.000 1.117 341 I CA 1.287 62.601 61.300 0.022 0.000 1.404 341 I CB -1.457 36.480 38.000 -0.104 0.000 1.071 341 I HN 0.193 nan 8.210 nan 0.000 0.419 342 A N 0.685 123.536 122.820 0.051 0.000 2.067 342 A HA 0.289 4.608 4.320 -0.002 0.000 0.217 342 A C 1.586 179.190 177.584 0.035 0.000 1.156 342 A CA 0.593 52.656 52.037 0.042 0.000 0.683 342 A CB -0.502 18.503 19.000 0.007 0.000 0.808 342 A HN 0.317 nan 8.150 nan 0.000 0.455 343 A N 0.070 122.914 122.820 0.040 0.000 2.406 343 A HA 0.480 4.799 4.320 -0.002 0.000 0.243 343 A C 0.038 177.635 177.584 0.021 0.000 1.082 343 A CA 0.002 52.055 52.037 0.027 0.000 0.786 343 A CB 0.116 19.143 19.000 0.046 0.000 1.029 343 A HN 0.534 nan 8.150 nan 0.000 0.495 344 E N 0.100 120.305 120.200 0.008 0.000 2.312 344 E HA 0.345 4.694 4.350 -0.002 0.000 0.267 344 E C -1.336 175.269 176.600 0.009 0.000 0.894 344 E CA -0.982 55.417 56.400 -0.002 0.000 0.773 344 E CB 1.271 30.964 29.700 -0.012 0.000 1.241 344 E HN 0.658 nan 8.360 nan 0.000 0.432 345 D N 1.494 121.898 120.400 0.007 0.000 2.449 345 D HA 0.105 4.744 4.640 -0.002 0.000 0.236 345 D C -0.455 175.852 176.300 0.011 0.000 1.149 345 D CA 0.880 54.891 54.000 0.018 0.000 0.878 345 D CB 0.437 41.244 40.800 0.013 0.000 1.198 345 D HN 0.248 nan 8.370 nan 0.000 0.446 346 M N 0.752 120.361 119.600 0.015 0.000 2.421 346 M HA 0.492 4.971 4.480 -0.002 0.000 0.287 346 M C -0.140 176.165 176.300 0.009 0.000 1.183 346 M CA 0.027 55.332 55.300 0.008 0.000 0.916 346 M CB 1.885 34.487 32.600 0.003 0.000 1.701 346 M HN 0.603 nan 8.290 nan 0.000 0.470 347 G N 1.900 110.707 108.800 0.011 0.000 2.472 347 G HA2 0.254 4.213 3.960 -0.002 0.000 0.205 347 G HA3 0.254 4.213 3.960 -0.002 0.000 0.205 347 G C 0.373 175.280 174.900 0.012 0.000 1.270 347 G CA 0.126 45.234 45.100 0.014 0.000 0.974 347 G HN 2.128 nan 8.290 nan 0.000 0.542 348 G N -1.949 106.853 108.800 0.004 0.000 2.148 348 G HA2 0.167 4.126 3.960 -0.002 0.000 0.254 348 G HA3 0.167 4.126 3.960 -0.002 0.000 0.254 348 G C 1.219 176.107 174.900 -0.019 0.000 0.981 348 G CA 1.951 47.046 45.100 -0.008 0.000 0.670 348 G HN 2.771 nan 8.290 nan 0.000 0.528 349 T N -2.507 112.043 114.554 -0.005 0.000 2.810 349 T HA 0.621 4.970 4.350 -0.002 0.000 0.277 349 T C -0.763 173.856 174.700 -0.134 0.000 0.973 349 T CA -0.685 61.394 62.100 -0.034 0.000 0.949 349 T CB 1.742 70.651 68.868 0.068 0.000 1.075 349 T HN -0.095 nan 8.240 nan 0.000 0.537 350 P HA 0.107 nan 4.420 nan 0.000 0.226 350 P C 0.514 177.494 177.300 -0.534 0.000 1.153 350 P CA 0.737 63.533 63.100 -0.507 0.000 0.777 350 P CB -0.153 31.074 31.700 -0.788 0.000 0.794 351 F N -1.576 118.368 119.950 -0.010 0.000 2.727 351 F HA 0.171 4.697 4.527 -0.002 0.000 0.302 351 F C 0.991 176.782 175.800 -0.015 0.000 1.097 351 F CA -0.216 57.777 58.000 -0.011 0.000 1.330 351 F CB -0.395 38.598 39.000 -0.011 0.000 1.084 351 F HN -0.171 nan 8.300 nan 0.000 0.578 352 D N 0.120 120.573 120.400 0.088 0.000 2.332 352 D HA 0.276 4.915 4.640 -0.002 0.000 0.252 352 D C 1.068 177.379 176.300 0.019 0.000 1.050 352 D CA -0.349 53.683 54.000 0.052 0.000 0.970 352 D CB 1.396 42.216 40.800 0.032 0.000 1.141 352 D HN 0.069 nan 8.370 nan 0.000 0.485 353 R N -0.084 120.423 120.500 0.012 0.000 2.237 353 R HA 0.133 4.472 4.340 -0.002 0.000 0.195 353 R C -0.248 176.047 176.300 -0.008 0.000 0.956 353 R CA 0.272 56.373 56.100 0.001 0.000 1.029 353 R CB 0.283 30.584 30.300 0.002 0.000 0.972 353 R HN 0.236 nan 8.270 nan 0.000 0.493 354 L N -0.769 120.449 121.223 -0.007 0.000 2.303 354 L HA 0.515 4.854 4.340 -0.002 0.000 0.256 354 L C -0.993 175.872 176.870 -0.008 0.000 1.034 354 L CA -1.259 53.573 54.840 -0.013 0.000 0.832 354 L CB 0.697 42.746 42.059 -0.017 0.000 1.403 354 L HN -0.267 nan 8.230 nan 0.000 0.419 355 L N 0.846 122.064 121.223 -0.009 0.000 2.372 355 L HA 0.801 5.140 4.340 -0.002 0.000 0.274 355 L C -1.310 175.561 176.870 0.002 0.000 0.988 355 L CA -0.371 54.468 54.840 -0.002 0.000 0.833 355 L CB 1.783 43.841 42.059 -0.002 0.000 1.236 355 L HN 0.341 nan 8.230 nan 0.000 0.410 356 V N 5.263 125.184 119.914 0.011 0.000 2.370 356 V HA 0.487 4.606 4.120 -0.002 0.000 0.283 356 V C -0.022 176.107 176.094 0.059 0.000 1.023 356 V CA -0.484 61.831 62.300 0.025 0.000 0.857 356 V CB 1.290 33.127 31.823 0.022 0.000 0.985 356 V HN 0.805 nan 8.190 nan 0.000 0.443 357 Q N 2.598 122.458 119.800 0.100 0.000 2.222 357 Q HA 0.723 5.062 4.340 -0.002 0.000 0.252 357 Q C 0.074 176.207 176.000 0.221 0.000 0.926 357 Q CA -0.537 55.348 55.803 0.137 0.000 0.899 357 Q CB 1.942 30.771 28.738 0.153 0.000 1.250 357 Q HN 0.898 nan 8.270 nan 0.000 0.441 358 A N 2.312 125.204 122.820 0.120 0.000 2.407 358 A HA 0.233 4.552 4.320 -0.002 0.000 0.248 358 A C -0.087 177.477 177.584 -0.033 0.000 1.082 358 A CA -0.423 51.653 52.037 0.066 0.000 0.785 358 A CB 0.114 19.120 19.000 0.011 0.000 1.020 358 A HN 0.855 nan 8.150 nan 0.000 0.489 359 I N 1.000 121.384 120.570 -0.311 0.000 2.775 359 I HA -0.038 4.131 4.170 -0.002 0.000 0.290 359 I C 0.225 176.209 176.117 -0.222 0.000 1.203 359 I CA 0.153 61.035 61.300 -0.697 0.000 1.433 359 I CB 0.396 37.809 38.000 -0.978 0.000 1.354 359 I HN 0.784 nan 8.210 nan 0.000 0.579 360 D N 5.644 125.948 120.400 -0.160 0.000 2.343 360 D HA 0.081 4.720 4.640 -0.002 0.000 0.255 360 D C 1.063 177.387 176.300 0.040 0.000 1.187 360 D CA 0.202 54.165 54.000 -0.062 0.000 0.875 360 D CB 0.650 41.437 40.800 -0.022 0.000 1.136 360 D HN 0.547 nan 8.370 nan 0.000 0.469 361 H N 2.236 121.263 119.070 -0.072 0.000 2.353 361 H HA -0.102 4.453 4.556 -0.001 0.000 0.300 361 H C 1.275 176.578 175.328 -0.041 0.000 1.090 361 H CA 0.519 56.533 56.048 -0.057 0.000 1.327 361 H CB 0.494 30.234 29.762 -0.037 0.000 1.383 361 H HN 0.498 nan 8.280 nan 0.000 0.508 362 E N 0.815 121.074 120.200 0.099 0.000 2.106 362 E HA -0.090 4.259 4.350 -0.002 0.000 0.192 362 E C 2.278 178.896 176.600 0.029 0.000 0.984 362 E CA 0.468 56.897 56.400 0.049 0.000 0.806 362 E CB -0.027 29.691 29.700 0.030 0.000 0.750 362 E HN 0.411 nan 8.360 nan 0.000 0.458 363 R N 0.407 120.923 120.500 0.026 0.000 2.075 363 R HA -0.033 4.306 4.340 -0.002 0.000 0.232 363 R C 2.528 178.836 176.300 0.014 0.000 1.126 363 R CA 0.488 56.603 56.100 0.024 0.000 0.963 363 R CB -0.508 29.814 30.300 0.036 0.000 0.858 363 R HN 0.211 nan 8.270 nan 0.000 0.435 364 L N 0.757 121.980 121.223 0.001 0.000 1.989 364 L HA -0.236 4.103 4.340 -0.002 0.000 0.211 364 L C 2.485 179.342 176.870 -0.022 0.000 1.071 364 L CA 1.643 56.469 54.840 -0.023 0.000 0.749 364 L CB -0.240 41.790 42.059 -0.049 0.000 0.890 364 L HN 0.179 nan 8.230 nan 0.000 0.431 365 R N -0.561 119.932 120.500 -0.013 0.000 2.091 365 R HA -0.194 4.145 4.340 -0.002 0.000 0.238 365 R C 2.288 178.582 176.300 -0.010 0.000 1.136 365 R CA 1.520 57.611 56.100 -0.015 0.000 0.959 365 R CB -0.445 29.852 30.300 -0.005 0.000 0.856 365 R HN 0.502 nan 8.270 nan 0.000 0.437 366 A N 0.356 123.174 122.820 -0.004 0.000 1.902 366 A HA -0.116 4.203 4.320 -0.002 0.000 0.217 366 A C 2.310 179.887 177.584 -0.012 0.000 1.181 366 A CA 1.440 53.473 52.037 -0.006 0.000 0.623 366 A CB -0.462 18.537 19.000 -0.000 0.000 0.818 366 A HN 0.136 nan 8.150 nan 0.000 0.443 367 V N 0.225 120.131 119.914 -0.014 0.000 2.343 367 V HA -0.246 3.873 4.120 -0.002 0.000 0.247 367 V C 2.544 178.669 176.094 0.052 0.000 1.051 367 V CA 1.849 64.135 62.300 -0.024 0.000 1.036 367 V CB -0.812 30.973 31.823 -0.063 0.000 0.654 367 V HN 0.560 nan 8.190 nan 0.000 0.451 368 L N -0.433 120.795 121.223 0.009 0.000 2.046 368 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 368 L C 2.749 179.645 176.870 0.044 0.000 1.077 368 L CA 1.758 56.605 54.840 0.013 0.000 0.747 368 L CB -0.643 41.391 42.059 -0.041 0.000 0.896 368 L HN 0.248 nan 8.230 nan 0.000 0.432 369 R N 0.169 120.677 120.500 0.014 0.000 2.105 369 R HA -0.201 4.138 4.340 -0.002 0.000 0.239 369 R C 2.293 178.589 176.300 -0.006 0.000 1.135 369 R CA 1.545 57.645 56.100 0.000 0.000 0.967 369 R CB -0.079 30.214 30.300 -0.012 0.000 0.861 369 R HN 0.474 nan 8.270 nan 0.000 0.442 370 Q N -1.157 118.631 119.800 -0.020 0.000 2.224 370 Q HA -0.170 4.169 4.340 -0.002 0.000 0.203 370 Q C 0.562 176.435 176.000 -0.212 0.000 0.970 370 Q CA 1.218 56.943 55.803 -0.130 0.000 0.865 370 Q CB 0.164 28.766 28.738 -0.226 0.000 0.922 370 Q HN 0.482 nan 8.270 nan 0.000 0.445 371 Y N -0.684 119.573 120.300 -0.073 0.000 2.625 371 Y HA 0.269 4.818 4.550 -0.002 0.000 0.285 371 Y C 1.134 177.007 175.900 -0.046 0.000 1.168 371 Y CA 0.101 58.169 58.100 -0.053 0.000 1.250 371 Y CB 0.670 39.094 38.460 -0.059 0.000 1.130 371 Y HN 0.124 nan 8.280 nan 0.000 0.526 372 G N 1.090 109.926 108.800 0.060 0.000 2.249 372 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.273 372 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.273 372 G C 0.854 175.765 174.900 0.019 0.000 1.036 372 G CA 0.317 45.433 45.100 0.027 0.000 0.824 372 G HN 0.371 nan 8.290 nan 0.000 0.504 373 R N -1.435 119.075 120.500 0.016 0.000 2.600 373 R HA 0.454 4.793 4.340 -0.002 0.000 0.392 373 R C 0.159 176.430 176.300 -0.049 0.000 1.032 373 R CA -0.404 55.679 56.100 -0.028 0.000 1.139 373 R CB 0.263 30.536 30.300 -0.044 0.000 1.400 373 R HN 0.321 nan 8.270 nan 0.000 0.566 374 L N 0.823 122.028 121.223 -0.030 0.000 2.257 374 L HA 0.681 5.020 4.340 -0.002 0.000 0.290 374 L C -0.183 176.668 176.870 -0.032 0.000 1.044 374 L CA -0.458 54.360 54.840 -0.036 0.000 0.810 374 L CB 1.061 43.105 42.059 -0.024 0.000 1.193 374 L HN 0.182 nan 8.230 nan 0.000 0.425 375 A N 0.000 122.797 122.820 -0.038 0.000 2.254 375 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 375 A CA 0.000 52.020 52.037 -0.027 0.000 0.836 375 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486