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 3cj9_1_A DATA FIRST_RESID 36 DATA SEQUENCE PALKYGIVLD AGSSHTSMFV YKWPADKEND TGIVGQHSSc DVQGGGISSY DATA SEQUENCE ANDPSKAGQS LVRcLEQALR DVPRDRHAST PLYLGATAGM RLLNLTSPEA DATA SEQUENCE TARVLEAVTQ TLTQYPFDFR GARILSGQDE GVFGWVTANY LLENFIKYGW DATA SEQUENCE VGRWIRPRKG TLGAMDLGGA STQITFETTS PSEDPGNEVH LRLYGQHYRV DATA SEQUENCE YTHSFLcYGR DQILLRLLAS ALQIHRFHPc WPKGYSTQVL LQEVYQSPcT DATA SEQUENCE MGQRXXXXXX XAIVSLSGTS NATLcRDLVS RLFNISScPF SQcSFNGVFQ DATA SEQUENCE PPVAGNFIAF SAFYYTVDFL TTVMGLPVGT LKQLEEATEI TcNQTWTELQ DATA SEQUENCE ARVPGQKTRL ADYcAVAMFI HQLLSRGYHF DERSFREVVF QKKAADTAVG DATA SEQUENCE WALGYMLNLT NLIPADLPGL RKGTHF 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 36 P HA 0.000 nan 4.420 nan 0.000 0.216 36 P C 0.000 177.292 177.300 -0.013 0.000 1.155 36 P CA 0.000 63.101 63.100 0.002 0.000 0.800 36 P CB 0.000 31.705 31.700 0.008 0.000 0.726 37 A N 2.999 125.809 122.820 -0.018 0.000 2.548 37 A HA 0.414 4.726 4.320 -0.013 0.000 0.247 37 A C 0.092 177.620 177.584 -0.094 0.000 1.067 37 A CA 0.420 52.436 52.037 -0.036 0.000 0.757 37 A CB 0.068 19.053 19.000 -0.025 0.000 0.996 37 A HN 0.539 nan 8.150 nan 0.000 0.504 38 L N 2.504 123.642 121.223 -0.141 0.000 2.331 38 L HA 0.508 4.840 4.340 -0.013 0.000 0.275 38 L C 0.331 176.905 176.870 -0.493 0.000 1.022 38 L CA -0.564 54.068 54.840 -0.347 0.000 0.812 38 L CB 1.809 43.623 42.059 -0.409 0.000 1.257 38 L HN 0.742 nan 8.230 nan 0.000 0.435 39 K N 1.225 121.083 120.400 -0.904 0.000 2.295 39 K HA 0.647 4.959 4.320 -0.013 0.000 0.239 39 K C -1.694 173.979 176.600 -1.545 0.000 0.991 39 K CA -0.688 54.980 56.287 -1.032 0.000 0.845 39 K CB 2.161 33.976 32.500 -1.142 0.000 1.197 39 K HN 0.240 nan 8.250 nan 0.000 0.441 40 Y N -1.041 118.807 120.300 -0.755 0.000 2.576 40 Y HA 0.643 5.185 4.550 -0.013 0.000 0.346 40 Y C 0.283 176.153 175.900 -0.050 0.000 1.018 40 Y CA -0.858 57.025 58.100 -0.362 0.000 1.050 40 Y CB 2.787 41.165 38.460 -0.137 0.000 1.280 40 Y HN 0.708 nan 8.280 nan 0.000 0.474 41 G N 1.406 110.485 108.800 0.465 0.000 2.718 41 G HA2 0.715 4.667 3.960 -0.013 0.000 0.295 41 G HA3 0.715 4.667 3.960 -0.013 0.000 0.295 41 G C -1.996 173.150 174.900 0.411 0.000 1.421 41 G CA -0.738 44.673 45.100 0.517 0.000 0.902 41 G HN 0.506 nan 8.290 nan 0.000 0.501 42 I N 0.655 121.388 120.570 0.273 0.000 2.545 42 I HA 0.515 4.677 4.170 -0.013 0.000 0.292 42 I C -0.649 175.655 176.117 0.313 0.000 1.040 42 I CA -1.172 60.220 61.300 0.153 0.000 1.068 42 I CB 2.436 40.343 38.000 -0.156 0.000 1.251 42 I HN 0.137 nan 8.210 nan 0.000 0.424 43 V N 6.652 126.769 119.914 0.339 0.000 2.540 43 V HA 0.417 4.529 4.120 -0.013 0.000 0.302 43 V C -0.197 176.054 176.094 0.262 0.000 1.035 43 V CA -0.597 61.947 62.300 0.407 0.000 0.873 43 V CB 2.172 34.282 31.823 0.479 0.000 0.992 43 V HN 0.473 nan 8.190 nan 0.000 0.428 44 L N 4.091 125.461 121.223 0.245 0.000 2.261 44 L HA 0.423 4.755 4.340 -0.013 0.000 0.289 44 L C 0.027 177.037 176.870 0.233 0.000 1.059 44 L CA -0.225 54.708 54.840 0.155 0.000 0.816 44 L CB 0.918 43.047 42.059 0.116 0.000 1.191 44 L HN 0.602 nan 8.230 nan 0.000 0.431 45 D N 4.169 124.663 120.400 0.156 0.000 2.393 45 D HA 0.232 4.864 4.640 -0.013 0.000 0.232 45 D C -0.125 176.292 176.300 0.195 0.000 1.192 45 D CA -0.199 53.915 54.000 0.191 0.000 0.882 45 D CB 1.492 42.288 40.800 -0.007 0.000 1.038 45 D HN 0.500 nan 8.370 nan 0.000 0.499 46 A N 3.917 126.902 122.820 0.275 0.000 2.910 46 A HA 0.595 4.907 4.320 -0.013 0.000 0.316 46 A C 0.796 178.474 177.584 0.156 0.000 1.493 46 A CA -0.420 51.712 52.037 0.157 0.000 1.150 46 A CB 0.062 19.155 19.000 0.154 0.000 1.159 46 A HN 0.517 nan 8.150 nan 0.000 0.526 47 G N 0.285 109.137 108.800 0.088 0.000 2.562 47 G HA2 0.380 4.333 3.960 -0.013 0.000 0.275 47 G HA3 0.380 4.333 3.960 -0.013 0.000 0.275 47 G C 1.208 176.161 174.900 0.087 0.000 1.196 47 G CA 0.299 45.466 45.100 0.113 0.000 0.908 47 G HN 1.016 nan 8.290 nan 0.000 0.524 48 S N -0.770 114.997 115.700 0.112 0.000 2.383 48 S HA -0.206 4.256 4.470 -0.013 0.000 0.229 48 S C 2.187 176.841 174.600 0.090 0.000 1.030 48 S CA 2.060 60.313 58.200 0.088 0.000 1.002 48 S CB -0.448 62.801 63.200 0.082 0.000 0.829 48 S HN 1.008 nan 8.310 nan 0.000 0.467 49 S N 0.534 116.325 115.700 0.153 0.000 2.511 49 S HA 0.309 4.771 4.470 -0.013 0.000 0.214 49 S C 0.330 175.088 174.600 0.264 0.000 0.997 49 S CA -0.026 58.279 58.200 0.175 0.000 0.908 49 S CB -0.514 62.800 63.200 0.189 0.000 0.803 49 S HN 1.026 nan 8.310 nan 0.000 0.504 50 H N -2.252 116.862 119.070 0.074 0.000 2.921 50 H HA 0.559 5.107 4.556 -0.013 0.000 0.287 50 H C -1.598 173.788 175.328 0.097 0.000 1.434 50 H CA -1.000 55.090 56.048 0.071 0.000 1.178 50 H CB 0.556 30.350 29.762 0.054 0.000 1.836 50 H HN -0.075 nan 8.280 nan 0.000 0.495 51 T N 1.559 116.086 114.554 -0.044 0.000 2.824 51 T HA 0.589 4.931 4.350 -0.013 0.000 0.280 51 T C -0.527 174.114 174.700 -0.099 0.000 0.995 51 T CA -0.753 61.284 62.100 -0.104 0.000 1.009 51 T CB 1.435 70.311 68.868 0.013 0.000 0.955 51 T HN 0.570 nan 8.240 nan 0.000 0.452 52 S N 2.317 117.915 115.700 -0.169 0.000 2.513 52 S HA 0.615 5.078 4.470 -0.013 0.000 0.299 52 S C -0.695 173.667 174.600 -0.396 0.000 1.087 52 S CA -0.774 57.267 58.200 -0.266 0.000 1.012 52 S CB 1.552 64.568 63.200 -0.307 0.000 1.044 52 S HN 0.722 nan 8.310 nan 0.000 0.485 53 M N 3.385 122.676 119.600 -0.514 0.000 2.268 53 M HA 0.597 5.069 4.480 -0.013 0.000 0.344 53 M C -2.074 173.785 176.300 -0.735 0.000 1.106 53 M CA -0.472 54.569 55.300 -0.431 0.000 1.010 53 M CB 0.472 32.911 32.600 -0.269 0.000 1.649 53 M HN 0.577 nan 8.290 nan 0.000 0.443 54 F N 3.740 123.587 119.950 -0.172 0.000 2.507 54 F HA 0.582 5.101 4.527 -0.012 0.000 0.325 54 F C -0.589 174.945 175.800 -0.443 0.000 1.116 54 F CA -0.795 56.994 58.000 -0.352 0.000 0.930 54 F CB 1.895 40.629 39.000 -0.444 0.000 1.146 54 F HN 0.169 nan 8.300 nan 0.000 0.447 55 V N 3.933 123.687 119.914 -0.267 0.000 2.417 55 V HA 0.420 4.532 4.120 -0.013 0.000 0.291 55 V C -0.916 175.080 176.094 -0.164 0.000 1.024 55 V CA -0.991 61.231 62.300 -0.129 0.000 0.861 55 V CB 1.065 32.919 31.823 0.052 0.000 0.985 55 V HN 0.542 nan 8.190 nan 0.000 0.436 56 Y N 3.401 123.900 120.300 0.332 0.000 2.528 56 Y HA 0.746 5.289 4.550 -0.012 0.000 0.335 56 Y C 0.276 176.377 175.900 0.336 0.000 1.093 56 Y CA -1.101 57.206 58.100 0.345 0.000 1.134 56 Y CB 1.918 40.579 38.460 0.336 0.000 1.253 56 Y HN 0.649 nan 8.280 nan 0.000 0.478 57 K N 0.555 121.218 120.400 0.437 0.000 2.508 57 K HA 0.754 5.066 4.320 -0.013 0.000 0.260 57 K C -1.990 174.756 176.600 0.243 0.000 0.949 57 K CA -0.882 55.372 56.287 -0.054 0.000 0.834 57 K CB 2.653 34.919 32.500 -0.390 0.000 1.365 57 K HN 0.794 nan 8.250 nan 0.000 0.437 58 W N -0.340 120.855 121.300 -0.176 0.000 3.248 58 W HA 0.464 5.116 4.660 -0.012 0.000 0.311 58 W C -3.112 173.352 176.519 -0.092 0.000 1.258 58 W CA -2.180 55.125 57.345 -0.068 0.000 1.191 58 W CB 0.417 29.878 29.460 0.002 0.000 1.389 58 W HN 0.311 nan 8.180 nan 0.000 0.561 59 P HA 0.141 nan 4.420 nan 0.000 0.271 59 P C 0.646 178.009 177.300 0.106 0.000 1.220 59 P CA 0.647 63.770 63.100 0.039 0.000 0.768 59 P CB 1.269 33.012 31.700 0.073 0.000 0.848 60 A N 4.046 126.859 122.820 -0.012 0.000 1.892 60 A HA -0.237 4.075 4.320 -0.013 0.000 0.218 60 A C 1.517 179.170 177.584 0.115 0.000 1.188 60 A CA 2.174 54.240 52.037 0.048 0.000 0.631 60 A CB -1.354 17.639 19.000 -0.011 0.000 0.822 60 A HN 0.451 nan 8.150 nan 0.000 0.447 61 D N -1.173 119.275 120.400 0.080 0.000 2.347 61 D HA 0.048 4.680 4.640 -0.013 0.000 0.215 61 D C 1.201 177.554 176.300 0.090 0.000 0.976 61 D CA 0.830 54.875 54.000 0.074 0.000 0.884 61 D CB 0.107 40.936 40.800 0.049 0.000 0.915 61 D HN 0.437 nan 8.370 nan 0.000 0.526 62 K N 0.375 120.847 120.400 0.121 0.000 2.564 62 K HA 0.059 4.371 4.320 -0.013 0.000 0.205 62 K C 0.968 177.660 176.600 0.153 0.000 1.053 62 K CA -0.018 56.339 56.287 0.117 0.000 1.072 62 K CB 0.782 33.340 32.500 0.097 0.000 0.822 62 K HN 0.222 nan 8.250 nan 0.000 0.497 63 E N 0.271 120.589 120.200 0.197 0.000 2.338 63 E HA -0.120 4.223 4.350 -0.013 0.000 0.197 63 E C 0.781 177.417 176.600 0.059 0.000 1.007 63 E CA 0.951 57.473 56.400 0.205 0.000 0.849 63 E CB 0.068 29.983 29.700 0.360 0.000 0.774 63 E HN 0.090 nan 8.360 nan 0.000 0.506 64 N N 1.219 119.974 118.700 0.091 0.000 2.336 64 N HA 0.011 4.743 4.740 -0.013 0.000 0.189 64 N C -0.645 174.979 175.510 0.190 0.000 1.113 64 N CA 0.176 53.289 53.050 0.105 0.000 0.858 64 N CB 0.203 38.740 38.487 0.082 0.000 0.970 64 N HN 0.166 nan 8.380 nan 0.000 0.471 65 D N 0.950 121.434 120.400 0.140 0.000 2.424 65 D HA -0.022 4.610 4.640 -0.013 0.000 0.244 65 D C 0.561 176.912 176.300 0.085 0.000 1.134 65 D CA 0.518 54.574 54.000 0.094 0.000 0.881 65 D CB 0.801 41.621 40.800 0.034 0.000 1.191 65 D HN -0.131 nan 8.370 nan 0.000 0.445 66 T N 0.661 115.175 114.554 -0.066 0.000 2.940 66 T HA 0.355 4.697 4.350 -0.013 0.000 0.309 66 T C 1.392 175.725 174.700 -0.612 0.000 1.056 66 T CA 0.873 62.778 62.100 -0.325 0.000 1.137 66 T CB 0.203 68.701 68.868 -0.616 0.000 0.976 66 T HN 0.612 nan 8.240 nan 0.000 0.547 67 G N 3.957 111.888 108.800 -1.449 0.000 2.184 67 G HA2 -0.256 3.696 3.960 -0.013 0.000 0.264 67 G HA3 -0.256 3.696 3.960 -0.013 0.000 0.264 67 G C 0.814 175.526 174.900 -0.313 0.000 0.975 67 G CA 0.396 44.952 45.100 -0.905 0.000 0.642 67 G HN 0.696 nan 8.290 nan 0.000 0.536 68 I N 0.968 121.465 120.570 -0.123 0.000 2.406 68 I HA 0.194 4.357 4.170 -0.013 0.000 0.249 68 I C 1.629 177.870 176.117 0.206 0.000 1.122 68 I CA 0.248 61.595 61.300 0.078 0.000 1.431 68 I CB -0.000 38.062 38.000 0.104 0.000 1.087 68 I HN 0.089 nan 8.210 nan 0.000 0.424 69 V N 1.721 121.824 119.914 0.315 0.000 2.637 69 V HA 0.528 4.640 4.120 -0.013 0.000 0.296 69 V C 0.632 176.902 176.094 0.292 0.000 1.046 69 V CA 0.316 62.782 62.300 0.276 0.000 1.066 69 V CB 0.197 32.005 31.823 -0.024 0.000 0.968 69 V HN 0.415 nan 8.190 nan 0.000 0.483 70 G N 3.057 112.048 108.800 0.318 0.000 2.694 70 G HA2 0.516 4.468 3.960 -0.013 0.000 0.290 70 G HA3 0.516 4.468 3.960 -0.013 0.000 0.290 70 G C -1.234 173.928 174.900 0.436 0.000 1.386 70 G CA -0.712 44.575 45.100 0.312 0.000 0.872 70 G HN 0.597 nan 8.290 nan 0.000 0.475 71 Q N -0.921 119.108 119.800 0.382 0.000 2.313 71 Q HA 0.195 4.527 4.340 -0.013 0.000 0.266 71 Q C 0.617 176.758 176.000 0.235 0.000 0.989 71 Q CA -0.145 55.828 55.803 0.282 0.000 0.890 71 Q CB 0.629 29.474 28.738 0.178 0.000 1.200 71 Q HN 0.778 nan 8.270 nan 0.000 0.396 72 H N 1.606 120.739 119.070 0.104 0.000 2.406 72 H HA 0.237 4.785 4.556 -0.013 0.000 0.304 72 H C -0.331 175.037 175.328 0.068 0.000 1.042 72 H CA 1.202 57.320 56.048 0.117 0.000 1.360 72 H CB 0.636 30.516 29.762 0.197 0.000 1.448 72 H HN 0.607 nan 8.280 nan 0.000 0.553 73 S N -1.014 114.639 115.700 -0.078 0.000 2.643 73 S HA 0.612 5.074 4.470 -0.013 0.000 0.270 73 S C -0.961 173.579 174.600 -0.101 0.000 1.166 73 S CA -0.247 57.862 58.200 -0.151 0.000 0.815 73 S CB 1.802 64.870 63.200 -0.221 0.000 1.139 73 S HN 0.658 nan 8.310 nan 0.000 0.472 74 S N -0.844 114.780 115.700 -0.126 0.000 2.625 74 S HA 0.846 5.308 4.470 -0.013 0.000 0.271 74 S C -1.185 173.288 174.600 -0.212 0.000 1.161 74 S CA -0.714 57.352 58.200 -0.222 0.000 0.820 74 S CB 1.198 64.269 63.200 -0.214 0.000 1.137 74 S HN 1.929 nan 8.310 nan 0.000 0.470 75 c N 1.489 119.914 118.600 -0.292 0.000 2.811 75 c HA 0.642 5.204 4.570 -0.013 0.000 0.352 75 c C -1.988 171.985 174.090 -0.195 0.000 1.098 75 c CA -0.408 55.806 56.329 -0.192 0.000 1.295 75 c CB 0.708 43.126 42.510 -0.154 0.000 1.758 75 c HN 0.946 nan 8.230 nan 0.000 0.488 76 D N 4.045 124.384 120.400 -0.102 0.000 2.274 76 D HA 0.336 4.968 4.640 -0.013 0.000 0.239 76 D C -0.061 176.238 176.300 -0.002 0.000 1.104 76 D CA 0.086 54.070 54.000 -0.028 0.000 0.840 76 D CB 2.071 42.870 40.800 -0.001 0.000 1.100 76 D HN 0.410 nan 8.370 nan 0.000 0.477 77 V N 3.876 123.808 119.914 0.030 0.000 2.508 77 V HA -0.017 4.095 4.120 -0.013 0.000 0.281 77 V C 0.801 176.935 176.094 0.067 0.000 1.041 77 V CA -0.522 61.798 62.300 0.033 0.000 1.016 77 V CB 0.895 32.740 31.823 0.036 0.000 0.984 77 V HN 0.348 nan 8.190 nan 0.000 0.478 78 Q N 3.245 123.073 119.800 0.047 0.000 2.364 78 Q HA 0.421 4.753 4.340 -0.013 0.000 0.267 78 Q C 0.817 176.869 176.000 0.088 0.000 0.999 78 Q CA 0.984 56.818 55.803 0.052 0.000 0.886 78 Q CB 0.778 29.538 28.738 0.035 0.000 1.243 78 Q HN 1.159 nan 8.270 nan 0.000 0.415 79 G N 1.256 110.100 108.800 0.075 0.000 2.615 79 G HA2 -0.138 3.814 3.960 -0.013 0.000 0.218 79 G HA3 -0.138 3.814 3.960 -0.013 0.000 0.218 79 G C 0.127 175.075 174.900 0.081 0.000 1.339 79 G CA -0.605 44.543 45.100 0.081 0.000 0.884 79 G HN 0.858 nan 8.290 nan 0.000 0.559 80 G N -0.472 108.339 108.800 0.017 0.000 2.653 80 G HA2 0.670 4.623 3.960 -0.013 0.000 0.265 80 G HA3 0.670 4.623 3.960 -0.013 0.000 0.265 80 G C 0.988 175.898 174.900 0.017 0.000 1.237 80 G CA 0.635 45.708 45.100 -0.044 0.000 0.946 80 G HN 1.842 nan 8.290 nan 0.000 0.522 81 G N -1.399 107.406 108.800 0.008 0.000 2.634 81 G HA2 0.341 4.293 3.960 -0.013 0.000 0.255 81 G HA3 0.341 4.293 3.960 -0.013 0.000 0.255 81 G C 1.334 176.279 174.900 0.075 0.000 1.205 81 G CA 0.048 45.184 45.100 0.059 0.000 0.884 81 G HN 0.957 nan 8.290 nan 0.000 0.549 82 I N -1.202 119.467 120.570 0.165 0.000 2.361 82 I HA -0.143 4.019 4.170 -0.013 0.000 0.251 82 I C 2.435 178.674 176.117 0.204 0.000 1.133 82 I CA 1.809 63.276 61.300 0.278 0.000 1.413 82 I CB -0.412 37.708 38.000 0.200 0.000 1.073 82 I HN 0.410 nan 8.210 nan 0.000 0.424 83 S N 1.589 117.344 115.700 0.092 0.000 2.442 83 S HA -0.166 4.296 4.470 -0.013 0.000 0.236 83 S C 2.075 176.669 174.600 -0.011 0.000 1.007 83 S CA 1.058 59.290 58.200 0.053 0.000 0.965 83 S CB -0.960 62.263 63.200 0.037 0.000 0.773 83 S HN 0.750 nan 8.310 nan 0.000 0.504 84 S N 0.261 115.885 115.700 -0.127 0.000 2.507 84 S HA -0.018 4.444 4.470 -0.013 0.000 0.235 84 S C 0.780 175.164 174.600 -0.360 0.000 0.988 84 S CA 0.149 58.176 58.200 -0.288 0.000 0.944 84 S CB -0.798 62.160 63.200 -0.404 0.000 0.762 84 S HN 0.645 nan 8.310 nan 0.000 0.526 85 Y N 1.160 121.477 120.300 0.029 0.000 2.625 85 Y HA 0.649 5.191 4.550 -0.013 0.000 0.285 85 Y C 2.072 177.987 175.900 0.026 0.000 1.168 85 Y CA -0.709 57.407 58.100 0.026 0.000 1.250 85 Y CB -0.729 37.747 38.460 0.027 0.000 1.130 85 Y HN 0.331 nan 8.280 nan 0.000 0.526 86 A N 0.751 123.639 122.820 0.114 0.000 1.948 86 A HA -0.244 4.069 4.320 -0.013 0.000 0.220 86 A C 1.927 179.559 177.584 0.080 0.000 1.177 86 A CA 2.122 54.210 52.037 0.085 0.000 0.636 86 A CB -0.334 18.696 19.000 0.049 0.000 0.815 86 A HN 0.457 nan 8.150 nan 0.000 0.449 87 N N -0.821 117.926 118.700 0.078 0.000 2.336 87 N HA 0.023 4.755 4.740 -0.013 0.000 0.189 87 N C -0.428 175.130 175.510 0.080 0.000 1.113 87 N CA 0.518 53.608 53.050 0.066 0.000 0.858 87 N CB 0.495 39.012 38.487 0.049 0.000 0.970 87 N HN 0.394 nan 8.380 nan 0.000 0.471 88 D N -0.030 120.441 120.400 0.118 0.000 3.060 88 D HA 0.157 4.789 4.640 -0.013 0.000 0.326 88 D C -1.869 174.494 176.300 0.105 0.000 1.253 88 D CA -1.505 52.562 54.000 0.112 0.000 0.737 88 D CB 0.946 41.835 40.800 0.149 0.000 1.260 88 D HN -0.051 nan 8.370 nan 0.000 0.542 89 P HA -0.099 nan 4.420 nan 0.000 0.219 89 P C 1.427 178.720 177.300 -0.012 0.000 1.146 89 P CA 0.659 63.796 63.100 0.062 0.000 0.808 89 P CB 0.411 32.145 31.700 0.058 0.000 0.779 90 S N 0.049 115.737 115.700 -0.021 0.000 2.400 90 S HA -0.116 4.346 4.470 -0.013 0.000 0.232 90 S C 1.813 176.332 174.600 -0.135 0.000 1.025 90 S CA 1.091 59.258 58.200 -0.054 0.000 0.993 90 S CB -0.554 62.629 63.200 -0.029 0.000 0.808 90 S HN 0.296 nan 8.310 nan 0.000 0.478 91 K N 1.173 121.447 120.400 -0.209 0.000 2.209 91 K HA 0.019 4.331 4.320 -0.013 0.000 0.204 91 K C 2.308 178.436 176.600 -0.787 0.000 1.048 91 K CA 0.934 56.955 56.287 -0.443 0.000 0.940 91 K CB -0.280 31.937 32.500 -0.471 0.000 0.729 91 K HN 0.362 nan 8.250 nan 0.000 0.451 92 A N 1.288 123.714 122.820 -0.656 0.000 1.877 92 A HA -0.101 4.211 4.320 -0.013 0.000 0.216 92 A C 2.417 179.864 177.584 -0.227 0.000 1.186 92 A CA 1.994 53.757 52.037 -0.456 0.000 0.620 92 A CB -1.073 17.903 19.000 -0.040 0.000 0.822 92 A HN 0.397 nan 8.150 nan 0.000 0.443 93 G N -1.121 107.588 108.800 -0.151 0.000 2.421 93 G HA2 -0.263 3.689 3.960 -0.013 0.000 0.216 93 G HA3 -0.263 3.689 3.960 -0.013 0.000 0.216 93 G C 1.598 176.437 174.900 -0.101 0.000 1.171 93 G CA 1.284 46.328 45.100 -0.094 0.000 0.775 93 G HN 0.511 nan 8.290 nan 0.000 0.543 94 Q N 1.391 121.116 119.800 -0.126 0.000 2.181 94 Q HA -0.134 4.198 4.340 -0.013 0.000 0.205 94 Q C 2.693 178.635 176.000 -0.098 0.000 0.980 94 Q CA 1.885 57.631 55.803 -0.095 0.000 0.862 94 Q CB -0.475 28.203 28.738 -0.100 0.000 0.905 94 Q HN 0.561 nan 8.270 nan 0.000 0.429 95 S N -1.016 114.590 115.700 -0.156 0.000 2.442 95 S HA -0.109 4.354 4.470 -0.013 0.000 0.236 95 S C 1.640 176.216 174.600 -0.039 0.000 1.007 95 S CA 1.035 59.187 58.200 -0.081 0.000 0.965 95 S CB -0.385 62.777 63.200 -0.062 0.000 0.773 95 S HN 0.496 nan 8.310 nan 0.000 0.504 96 L N 0.790 121.976 121.223 -0.063 0.000 2.492 96 L HA 0.141 4.473 4.340 -0.013 0.000 0.223 96 L C 2.349 179.154 176.870 -0.109 0.000 1.132 96 L CA 0.071 54.861 54.840 -0.084 0.000 0.850 96 L CB -0.483 41.510 42.059 -0.111 0.000 0.966 96 L HN 0.208 nan 8.230 nan 0.000 0.454 97 V N 0.346 120.223 119.914 -0.061 0.000 2.295 97 V HA -0.275 3.837 4.120 -0.013 0.000 0.246 97 V C 2.676 178.760 176.094 -0.017 0.000 1.049 97 V CA 1.822 64.112 62.300 -0.015 0.000 1.024 97 V CB -0.499 31.358 31.823 0.056 0.000 0.648 97 V HN 0.460 nan 8.190 nan 0.000 0.447 98 R N -1.047 119.443 120.500 -0.017 0.000 2.075 98 R HA -0.156 4.177 4.340 -0.013 0.000 0.232 98 R C 2.347 178.625 176.300 -0.035 0.000 1.126 98 R CA 1.797 57.891 56.100 -0.010 0.000 0.963 98 R CB -0.750 29.547 30.300 -0.006 0.000 0.858 98 R HN 0.467 nan 8.270 nan 0.000 0.435 99 c N 0.766 119.326 118.600 -0.067 0.000 2.440 99 c HA -0.022 4.541 4.570 -0.013 0.000 0.278 99 c C 2.619 176.632 174.090 -0.129 0.000 1.295 99 c CA 0.434 56.705 56.329 -0.097 0.000 1.738 99 c CB -0.859 41.583 42.510 -0.115 0.000 1.987 99 c HN 0.427 nan 8.230 nan 0.000 0.492 100 L N 0.693 121.798 121.223 -0.197 0.000 2.079 100 L HA -0.158 4.174 4.340 -0.013 0.000 0.210 100 L C 2.751 179.569 176.870 -0.087 0.000 1.081 100 L CA 1.339 55.993 54.840 -0.308 0.000 0.752 100 L CB -0.678 40.882 42.059 -0.832 0.000 0.896 100 L HN 0.364 nan 8.230 nan 0.000 0.433 101 E N -0.158 120.049 120.200 0.012 0.000 2.110 101 E HA -0.288 4.054 4.350 -0.013 0.000 0.193 101 E C 2.037 178.676 176.600 0.065 0.000 0.988 101 E CA 1.147 57.612 56.400 0.108 0.000 0.804 101 E CB -0.192 29.568 29.700 0.100 0.000 0.745 101 E HN 0.567 nan 8.360 nan 0.000 0.458 102 Q N 0.465 120.274 119.800 0.014 0.000 2.050 102 Q HA -0.139 4.193 4.340 -0.013 0.000 0.202 102 Q C 2.136 178.145 176.000 0.015 0.000 0.980 102 Q CA 1.501 57.306 55.803 0.003 0.000 0.840 102 Q CB -0.110 28.608 28.738 -0.033 0.000 0.898 102 Q HN 0.212 nan 8.270 nan 0.000 0.424 103 A N 0.919 123.731 122.820 -0.013 0.000 1.948 103 A HA -0.207 4.105 4.320 -0.013 0.000 0.220 103 A C 2.046 179.730 177.584 0.167 0.000 1.177 103 A CA 1.431 53.458 52.037 -0.017 0.000 0.636 103 A CB -0.774 18.085 19.000 -0.236 0.000 0.815 103 A HN 0.474 nan 8.150 nan 0.000 0.449 104 L N -1.384 119.966 121.223 0.213 0.000 2.093 104 L HA -0.170 4.162 4.340 -0.013 0.000 0.208 104 L C 2.836 179.840 176.870 0.222 0.000 1.085 104 L CA 1.402 56.316 54.840 0.125 0.000 0.755 104 L CB -0.388 41.722 42.059 0.086 0.000 0.904 104 L HN 0.372 nan 8.230 nan 0.000 0.435 105 R N -0.451 120.135 120.500 0.143 0.000 2.119 105 R HA -0.081 4.252 4.340 -0.013 0.000 0.222 105 R C 1.599 177.964 176.300 0.108 0.000 1.088 105 R CA 0.964 57.131 56.100 0.113 0.000 0.984 105 R CB -0.174 30.167 30.300 0.069 0.000 0.884 105 R HN 0.329 nan 8.270 nan 0.000 0.447 106 D N 0.177 120.640 120.400 0.105 0.000 2.194 106 D HA -0.013 4.620 4.640 -0.013 0.000 0.204 106 D C 0.366 176.726 176.300 0.101 0.000 0.964 106 D CA 0.764 54.844 54.000 0.133 0.000 0.846 106 D CB 0.265 41.135 40.800 0.117 0.000 0.962 106 D HN -0.086 nan 8.370 nan 0.000 0.490 107 V N 2.734 122.666 119.914 0.029 0.000 2.427 107 V HA 0.241 4.353 4.120 -0.013 0.000 0.286 107 V C -2.181 173.871 176.094 -0.070 0.000 1.034 107 V CA -1.859 60.299 62.300 -0.237 0.000 0.893 107 V CB 1.569 33.371 31.823 -0.035 0.000 0.982 107 V HN -0.106 nan 8.190 nan 0.000 0.452 108 P HA 0.146 nan 4.420 nan 0.000 0.266 108 P C 0.687 177.789 177.300 -0.329 0.000 1.193 108 P CA 0.083 63.066 63.100 -0.196 0.000 0.770 108 P CB 0.589 32.191 31.700 -0.163 0.000 0.836 109 R N 2.155 122.394 120.500 -0.435 0.000 2.096 109 R HA -0.145 4.187 4.340 -0.013 0.000 0.235 109 R C 1.589 177.566 176.300 -0.540 0.000 1.127 109 R CA 1.817 57.431 56.100 -0.810 0.000 0.968 109 R CB -0.526 29.528 30.300 -0.410 0.000 0.861 109 R HN 0.657 nan 8.270 nan 0.000 0.440 110 D N -0.014 120.226 120.400 -0.268 0.000 2.350 110 D HA -0.165 4.467 4.640 -0.013 0.000 0.216 110 D C 1.345 177.591 176.300 -0.089 0.000 0.968 110 D CA 0.931 54.845 54.000 -0.144 0.000 0.894 110 D CB -0.060 40.689 40.800 -0.086 0.000 0.909 110 D HN 0.128 nan 8.370 nan 0.000 0.520 111 R N -1.185 119.259 120.500 -0.092 0.000 2.397 111 R HA 0.205 4.538 4.340 -0.013 0.000 0.241 111 R C 1.835 178.223 176.300 0.147 0.000 0.914 111 R CA -0.102 56.016 56.100 0.030 0.000 1.071 111 R CB 0.066 30.408 30.300 0.071 0.000 1.116 111 R HN 0.353 nan 8.270 nan 0.000 0.524 112 H N -0.222 118.861 119.070 0.022 0.000 2.289 112 H HA -0.164 4.384 4.556 -0.013 0.000 0.296 112 H C 2.082 177.448 175.328 0.064 0.000 1.091 112 H CA 1.200 57.264 56.048 0.027 0.000 1.274 112 H CB 0.132 29.750 29.762 -0.238 0.000 1.364 112 H HN 0.270 nan 8.280 nan 0.000 0.490 113 A N 0.674 123.578 122.820 0.139 0.000 2.024 113 A HA -0.179 4.134 4.320 -0.013 0.000 0.220 113 A C 2.237 179.893 177.584 0.119 0.000 1.164 113 A CA 1.855 53.948 52.037 0.093 0.000 0.643 113 A CB -0.352 18.676 19.000 0.046 0.000 0.806 113 A HN 0.523 nan 8.150 nan 0.000 0.451 114 S N -2.145 113.635 115.700 0.134 0.000 2.593 114 S HA 0.215 4.677 4.470 -0.013 0.000 0.236 114 S C 0.196 174.891 174.600 0.159 0.000 0.991 114 S CA -0.025 58.249 58.200 0.123 0.000 0.963 114 S CB -0.124 63.130 63.200 0.089 0.000 0.865 114 S HN 0.184 nan 8.310 nan 0.000 0.488 115 T N 6.225 120.915 114.554 0.226 0.000 2.733 115 T HA 0.414 4.756 4.350 -0.013 0.000 0.294 115 T C -2.750 172.073 174.700 0.205 0.000 0.956 115 T CA -1.438 60.809 62.100 0.245 0.000 0.987 115 T CB 1.272 70.336 68.868 0.327 0.000 0.920 115 T HN 0.241 nan 8.240 nan 0.000 0.470 116 P HA 0.272 nan 4.420 nan 0.000 0.271 116 P C -0.919 176.310 177.300 -0.118 0.000 1.216 116 P CA -0.677 62.394 63.100 -0.048 0.000 0.776 116 P CB 0.838 32.497 31.700 -0.067 0.000 0.881 117 L N 4.839 125.933 121.223 -0.216 0.000 2.385 117 L HA 0.535 4.868 4.340 -0.013 0.000 0.273 117 L C -1.517 175.262 176.870 -0.152 0.000 0.990 117 L CA -0.853 53.941 54.840 -0.078 0.000 0.821 117 L CB 1.113 43.233 42.059 0.103 0.000 1.279 117 L HN 0.226 nan 8.230 nan 0.000 0.412 118 Y N 4.489 124.949 120.300 0.266 0.000 2.499 118 Y HA 0.671 5.214 4.550 -0.012 0.000 0.347 118 Y C -0.724 175.401 175.900 0.374 0.000 0.987 118 Y CA -0.786 57.497 58.100 0.305 0.000 1.044 118 Y CB 2.104 40.742 38.460 0.297 0.000 1.245 118 Y HN 0.593 nan 8.280 nan 0.000 0.461 119 L N 1.714 123.279 121.223 0.570 0.000 2.341 119 L HA 0.941 5.274 4.340 -0.013 0.000 0.278 119 L C -0.403 176.716 176.870 0.415 0.000 1.005 119 L CA -0.301 54.806 54.840 0.445 0.000 0.818 119 L CB 1.422 43.692 42.059 0.352 0.000 1.259 119 L HN 0.817 nan 8.230 nan 0.000 0.418 120 G N 3.546 112.568 108.800 0.370 0.000 2.530 120 G HA2 0.738 4.690 3.960 -0.013 0.000 0.316 120 G HA3 0.738 4.690 3.960 -0.013 0.000 0.316 120 G C -1.423 173.550 174.900 0.122 0.000 1.298 120 G CA -0.298 44.848 45.100 0.078 0.000 0.948 120 G HN 0.857 nan 8.290 nan 0.000 0.486 121 A N 1.870 124.678 122.820 -0.020 0.000 2.355 121 A HA 0.928 5.241 4.320 -0.013 0.000 0.324 121 A C 0.666 178.194 177.584 -0.093 0.000 1.117 121 A CA 0.049 52.102 52.037 0.027 0.000 0.785 121 A CB 1.527 20.562 19.000 0.059 0.000 1.254 121 A HN 1.192 nan 8.150 nan 0.000 0.453 122 T N -1.354 113.185 114.554 -0.024 0.000 2.628 122 T HA 0.587 4.929 4.350 -0.013 0.000 0.223 122 T C 1.545 176.240 174.700 -0.009 0.000 0.959 122 T CA 0.464 62.520 62.100 -0.073 0.000 1.113 122 T CB -0.115 68.735 68.868 -0.030 0.000 2.140 122 T HN 1.204 nan 8.240 nan 0.000 0.516 123 A N 0.340 123.175 122.820 0.025 0.000 2.067 123 A HA 0.282 4.594 4.320 -0.013 0.000 0.219 123 A C 2.357 179.964 177.584 0.038 0.000 1.158 123 A CA 1.632 53.688 52.037 0.032 0.000 0.661 123 A CB -1.731 17.303 19.000 0.057 0.000 0.801 123 A HN 0.930 nan 8.150 nan 0.000 0.452 124 G N -0.560 108.269 108.800 0.049 0.000 2.421 124 G HA2 -0.216 3.736 3.960 -0.013 0.000 0.216 124 G HA3 -0.216 3.736 3.960 -0.013 0.000 0.216 124 G C 1.490 176.411 174.900 0.036 0.000 1.171 124 G CA 1.272 46.398 45.100 0.043 0.000 0.775 124 G HN 0.369 nan 8.290 nan 0.000 0.543 125 M N 0.156 119.779 119.600 0.037 0.000 2.288 125 M HA 0.106 4.578 4.480 -0.013 0.000 0.266 125 M C 2.610 178.923 176.300 0.022 0.000 1.072 125 M CA 0.703 56.023 55.300 0.034 0.000 1.132 125 M CB -0.823 31.802 32.600 0.041 0.000 1.386 125 M HN 0.219 nan 8.290 nan 0.000 0.432 126 R N 0.283 120.790 120.500 0.011 0.000 2.091 126 R HA -0.096 4.237 4.340 -0.013 0.000 0.238 126 R C 2.248 178.557 176.300 0.015 0.000 1.136 126 R CA 1.174 57.278 56.100 0.005 0.000 0.959 126 R CB -0.594 29.701 30.300 -0.008 0.000 0.856 126 R HN 0.345 nan 8.270 nan 0.000 0.437 127 L N 0.347 121.583 121.223 0.021 0.000 2.056 127 L HA -0.184 4.148 4.340 -0.013 0.000 0.207 127 L C 2.419 179.301 176.870 0.021 0.000 1.078 127 L CA 0.629 55.482 54.840 0.022 0.000 0.749 127 L CB -0.415 41.657 42.059 0.021 0.000 0.901 127 L HN 0.161 nan 8.230 nan 0.000 0.433 128 L N 0.163 121.400 121.223 0.023 0.000 2.083 128 L HA -0.239 4.093 4.340 -0.013 0.000 0.209 128 L C 2.182 179.068 176.870 0.026 0.000 1.083 128 L CA 1.728 56.583 54.840 0.026 0.000 0.752 128 L CB -0.952 41.127 42.059 0.032 0.000 0.899 128 L HN 0.312 nan 8.230 nan 0.000 0.433 129 N N -0.558 118.156 118.700 0.024 0.000 2.244 129 N HA -0.165 4.567 4.740 -0.013 0.000 0.183 129 N C 1.866 177.388 175.510 0.020 0.000 1.016 129 N CA 1.162 54.226 53.050 0.023 0.000 0.866 129 N CB 0.035 38.534 38.487 0.020 0.000 0.980 129 N HN 0.447 nan 8.380 nan 0.000 0.430 130 L N 0.241 121.476 121.223 0.019 0.000 2.056 130 L HA -0.129 4.203 4.340 -0.013 0.000 0.207 130 L C 2.312 179.194 176.870 0.020 0.000 1.078 130 L CA 1.159 56.011 54.840 0.019 0.000 0.749 130 L CB -0.736 41.335 42.059 0.021 0.000 0.901 130 L HN 0.149 nan 8.230 nan 0.000 0.433 131 T N -2.009 112.557 114.554 0.020 0.000 2.732 131 T HA -0.085 4.257 4.350 -0.013 0.000 0.261 131 T C 0.971 175.684 174.700 0.021 0.000 1.040 131 T CA 1.206 63.318 62.100 0.020 0.000 1.145 131 T CB 0.035 68.915 68.868 0.020 0.000 0.866 131 T HN 0.183 nan 8.240 nan 0.000 0.427 132 S N 0.507 116.221 115.700 0.023 0.000 2.446 132 S HA 0.363 4.825 4.470 -0.013 0.000 0.230 132 S C -2.568 172.048 174.600 0.027 0.000 1.051 132 S CA -1.213 57.002 58.200 0.024 0.000 1.113 132 S CB 1.369 64.584 63.200 0.026 0.000 1.184 132 S HN -0.114 nan 8.310 nan 0.000 0.435 133 P HA -0.072 nan 4.420 nan 0.000 0.218 133 P C 0.906 178.224 177.300 0.030 0.000 1.148 133 P CA 1.149 64.265 63.100 0.026 0.000 0.822 133 P CB 0.228 31.941 31.700 0.023 0.000 0.784 134 E N 0.103 120.320 120.200 0.028 0.000 2.051 134 E HA -0.141 4.201 4.350 -0.013 0.000 0.192 134 E C 2.196 178.817 176.600 0.036 0.000 0.991 134 E CA 1.664 58.082 56.400 0.030 0.000 0.799 134 E CB -1.410 28.306 29.700 0.027 0.000 0.748 134 E HN 0.147 nan 8.360 nan 0.000 0.449 135 A N 0.523 123.365 122.820 0.037 0.000 1.902 135 A HA -0.186 4.126 4.320 -0.013 0.000 0.217 135 A C 2.352 179.967 177.584 0.051 0.000 1.181 135 A CA 2.012 54.075 52.037 0.044 0.000 0.623 135 A CB -1.113 17.913 19.000 0.043 0.000 0.818 135 A HN 0.284 nan 8.150 nan 0.000 0.443 136 T N 0.578 115.160 114.554 0.047 0.000 2.665 136 T HA -0.129 4.213 4.350 -0.013 0.000 0.268 136 T C 2.203 176.937 174.700 0.055 0.000 1.035 136 T CA 1.885 64.016 62.100 0.051 0.000 1.151 136 T CB -0.527 68.366 68.868 0.042 0.000 0.862 136 T HN 0.618 nan 8.240 nan 0.000 0.438 137 A N 1.635 124.485 122.820 0.049 0.000 1.933 137 A HA -0.101 4.211 4.320 -0.013 0.000 0.218 137 A C 2.396 180.013 177.584 0.055 0.000 1.175 137 A CA 1.292 53.360 52.037 0.051 0.000 0.628 137 A CB -0.462 18.565 19.000 0.044 0.000 0.814 137 A HN 0.428 nan 8.150 nan 0.000 0.444 138 R N -0.707 119.824 120.500 0.051 0.000 2.092 138 R HA -0.059 4.273 4.340 -0.013 0.000 0.231 138 R C 2.013 178.347 176.300 0.057 0.000 1.119 138 R CA 1.347 57.477 56.100 0.050 0.000 0.970 138 R CB -0.573 29.755 30.300 0.046 0.000 0.864 138 R HN 0.391 nan 8.270 nan 0.000 0.440 139 V N 1.713 121.668 119.914 0.068 0.000 2.295 139 V HA -0.232 3.881 4.120 -0.013 0.000 0.246 139 V C 2.341 178.482 176.094 0.078 0.000 1.049 139 V CA 1.664 64.012 62.300 0.080 0.000 1.024 139 V CB -0.401 31.484 31.823 0.103 0.000 0.648 139 V HN 0.279 nan 8.190 nan 0.000 0.447 140 L N -0.497 120.776 121.223 0.083 0.000 2.083 140 L HA -0.197 4.135 4.340 -0.013 0.000 0.209 140 L C 2.564 179.494 176.870 0.100 0.000 1.083 140 L CA 1.622 56.522 54.840 0.099 0.000 0.752 140 L CB -0.572 41.546 42.059 0.098 0.000 0.899 140 L HN 0.388 nan 8.230 nan 0.000 0.433 141 E N 0.088 120.337 120.200 0.081 0.000 2.051 141 E HA -0.234 4.108 4.350 -0.013 0.000 0.192 141 E C 2.302 178.936 176.600 0.058 0.000 0.991 141 E CA 1.305 57.749 56.400 0.073 0.000 0.799 141 E CB -0.188 29.547 29.700 0.059 0.000 0.748 141 E HN 0.498 nan 8.360 nan 0.000 0.449 142 A N 0.991 123.836 122.820 0.042 0.000 1.877 142 A HA -0.168 4.144 4.320 -0.013 0.000 0.216 142 A C 2.558 180.145 177.584 0.005 0.000 1.186 142 A CA 1.757 53.803 52.037 0.016 0.000 0.620 142 A CB -0.995 18.006 19.000 0.000 0.000 0.822 142 A HN 0.251 nan 8.150 nan 0.000 0.443 143 V N -2.618 117.309 119.914 0.021 0.000 2.407 143 V HA -0.179 3.933 4.120 -0.013 0.000 0.248 143 V C 2.159 178.236 176.094 -0.029 0.000 1.055 143 V CA 2.759 65.060 62.300 0.001 0.000 1.049 143 V CB -1.835 30.012 31.823 0.041 0.000 0.662 143 V HN 0.411 nan 8.190 nan 0.000 0.455 144 T N 0.339 114.925 114.554 0.053 0.000 2.708 144 T HA -0.216 4.127 4.350 -0.013 0.000 0.266 144 T C 2.014 176.709 174.700 -0.008 0.000 1.037 144 T CA 2.284 64.440 62.100 0.093 0.000 1.146 144 T CB -0.369 68.647 68.868 0.248 0.000 0.865 144 T HN 0.665 nan 8.240 nan 0.000 0.435 145 Q N 0.340 120.152 119.800 0.020 0.000 2.061 145 Q HA -0.119 4.213 4.340 -0.013 0.000 0.204 145 Q C 2.638 178.626 176.000 -0.020 0.000 0.984 145 Q CA 1.720 57.529 55.803 0.010 0.000 0.846 145 Q CB -0.480 28.269 28.738 0.018 0.000 0.902 145 Q HN 0.443 nan 8.270 nan 0.000 0.421 146 T N 1.469 116.003 114.554 -0.033 0.000 2.708 146 T HA -0.112 4.231 4.350 -0.013 0.000 0.266 146 T C 1.886 176.588 174.700 0.002 0.000 1.037 146 T CA 1.001 63.102 62.100 0.002 0.000 1.146 146 T CB -0.236 68.626 68.868 -0.011 0.000 0.865 146 T HN 0.168 nan 8.240 nan 0.000 0.435 147 L N 1.301 122.387 121.223 -0.228 0.000 2.083 147 L HA -0.095 4.237 4.340 -0.013 0.000 0.209 147 L C 3.036 179.709 176.870 -0.328 0.000 1.083 147 L CA 1.549 56.123 54.840 -0.444 0.000 0.752 147 L CB -1.154 40.242 42.059 -1.104 0.000 0.899 147 L HN 0.458 nan 8.230 nan 0.000 0.433 148 T N -3.811 110.579 114.554 -0.273 0.000 2.962 148 T HA -0.162 4.180 4.350 -0.013 0.000 0.270 148 T C 1.734 176.456 174.700 0.036 0.000 1.088 148 T CA 0.625 62.726 62.100 0.002 0.000 1.127 148 T CB -0.164 68.768 68.868 0.107 0.000 0.883 148 T HN 0.206 nan 8.240 nan 0.000 0.493 149 Q N 0.129 119.944 119.800 0.024 0.000 2.436 149 Q HA 0.173 4.505 4.340 -0.013 0.000 0.209 149 Q C -0.198 175.686 176.000 -0.194 0.000 0.965 149 Q CA 0.567 56.329 55.803 -0.069 0.000 0.910 149 Q CB -0.479 28.189 28.738 -0.116 0.000 0.980 149 Q HN 0.678 nan 8.270 nan 0.000 0.491 150 Y N 0.953 121.204 120.300 -0.081 0.000 2.354 150 Y HA 0.171 4.713 4.550 -0.013 0.000 0.322 150 Y C -1.145 174.650 175.900 -0.175 0.000 1.253 150 Y CA -2.154 55.871 58.100 -0.125 0.000 1.272 150 Y CB 0.526 38.964 38.460 -0.036 0.000 1.255 150 Y HN -0.081 nan 8.280 nan 0.000 0.500 151 P HA -0.005 nan 4.420 nan 0.000 0.249 151 P C -0.509 176.643 177.300 -0.246 0.000 1.229 151 P CA 0.416 63.363 63.100 -0.256 0.000 0.788 151 P CB 0.023 31.554 31.700 -0.281 0.000 1.072 152 F N 1.385 121.384 119.950 0.081 0.000 2.490 152 F HA 0.120 4.639 4.527 -0.013 0.000 0.336 152 F C 1.364 177.226 175.800 0.104 0.000 1.178 152 F CA -0.504 57.543 58.000 0.078 0.000 1.301 152 F CB -0.325 38.703 39.000 0.046 0.000 1.175 152 F HN -0.204 nan 8.300 nan 0.000 0.593 153 D N 2.058 122.624 120.400 0.277 0.000 2.455 153 D HA 0.000 4.633 4.640 -0.013 0.000 0.234 153 D C -0.723 175.667 176.300 0.149 0.000 1.224 153 D CA -0.196 53.903 54.000 0.165 0.000 0.999 153 D CB -0.759 40.103 40.800 0.104 0.000 1.072 153 D HN 0.237 nan 8.370 nan 0.000 0.514 154 F N 3.494 123.471 119.950 0.044 0.000 2.504 154 F HA 0.269 4.788 4.527 -0.013 0.000 0.369 154 F C 0.869 176.647 175.800 -0.037 0.000 1.082 154 F CA -0.353 57.651 58.000 0.007 0.000 1.216 154 F CB 0.766 39.807 39.000 0.069 0.000 1.108 154 F HN 0.249 nan 8.300 nan 0.000 0.554 155 R N 3.910 124.025 120.500 -0.642 0.000 2.472 155 R HA 0.354 4.686 4.340 -0.013 0.000 0.279 155 R C 0.194 176.166 176.300 -0.547 0.000 0.953 155 R CA 0.307 56.099 56.100 -0.514 0.000 1.088 155 R CB 0.145 30.188 30.300 -0.428 0.000 1.197 155 R HN 0.922 nan 8.270 nan 0.000 0.536 156 G N 0.380 108.482 108.800 -1.163 0.000 2.428 156 G HA2 0.106 4.058 3.960 -0.013 0.000 0.681 156 G HA3 0.106 4.058 3.960 -0.013 0.000 0.681 156 G C -1.533 173.355 174.900 -0.020 0.000 1.340 156 G CA -0.512 44.194 45.100 -0.657 0.000 0.915 156 G HN 0.212 nan 8.290 nan 0.000 0.645 157 A N 1.478 124.433 122.820 0.225 0.000 2.271 157 A HA 0.926 5.238 4.320 -0.013 0.000 0.317 157 A C 0.288 177.992 177.584 0.200 0.000 1.245 157 A CA -0.506 51.716 52.037 0.308 0.000 0.857 157 A CB 0.881 20.085 19.000 0.341 0.000 1.175 157 A HN 0.763 nan 8.150 nan 0.000 0.512 158 R N 1.868 122.486 120.500 0.197 0.000 2.795 158 R HA 0.500 4.832 4.340 -0.013 0.000 0.275 158 R C -1.201 175.141 176.300 0.070 0.000 0.981 158 R CA -0.693 55.488 56.100 0.136 0.000 0.917 158 R CB 1.633 32.037 30.300 0.174 0.000 1.202 158 R HN 0.700 nan 8.270 nan 0.000 0.469 159 I N 2.963 123.552 120.570 0.032 0.000 2.325 159 I HA 0.134 4.297 4.170 -0.013 0.000 0.291 159 I C 0.135 176.209 176.117 -0.073 0.000 1.019 159 I CA -0.769 60.514 61.300 -0.028 0.000 1.302 159 I CB 0.652 38.646 38.000 -0.010 0.000 1.401 159 I HN 0.154 nan 8.210 nan 0.000 0.485 160 L N 6.023 127.129 121.223 -0.195 0.000 2.439 160 L HA 0.112 4.445 4.340 -0.013 0.000 0.269 160 L C 0.885 177.655 176.870 -0.166 0.000 1.179 160 L CA 0.542 55.244 54.840 -0.231 0.000 0.828 160 L CB 0.886 42.627 42.059 -0.530 0.000 1.106 160 L HN 0.732 nan 8.230 nan 0.000 0.467 161 S N 1.006 116.634 115.700 -0.120 0.000 2.600 161 S HA 0.257 4.719 4.470 -0.013 0.000 0.265 161 S C 1.310 175.812 174.600 -0.163 0.000 1.325 161 S CA -0.243 57.884 58.200 -0.122 0.000 1.002 161 S CB 0.946 64.082 63.200 -0.107 0.000 0.921 161 S HN 0.784 nan 8.310 nan 0.000 0.554 162 G N 0.487 109.192 108.800 -0.158 0.000 2.432 162 G HA2 -0.161 3.791 3.960 -0.013 0.000 0.219 162 G HA3 -0.161 3.791 3.960 -0.013 0.000 0.219 162 G C 1.264 176.044 174.900 -0.201 0.000 1.135 162 G CA 0.805 45.799 45.100 -0.177 0.000 0.767 162 G HN 0.717 nan 8.290 nan 0.000 0.550 163 Q N 0.563 120.232 119.800 -0.219 0.000 2.050 163 Q HA -0.037 4.295 4.340 -0.013 0.000 0.202 163 Q C 2.317 178.156 176.000 -0.269 0.000 0.980 163 Q CA 1.577 57.233 55.803 -0.245 0.000 0.840 163 Q CB -0.226 28.371 28.738 -0.236 0.000 0.898 163 Q HN 0.313 nan 8.270 nan 0.000 0.424 164 D N 0.377 120.620 120.400 -0.262 0.000 2.133 164 D HA -0.228 4.404 4.640 -0.013 0.000 0.192 164 D C 1.714 177.882 176.300 -0.220 0.000 1.001 164 D CA 1.393 55.196 54.000 -0.329 0.000 0.844 164 D CB -0.207 40.553 40.800 -0.066 0.000 0.944 164 D HN 0.382 nan 8.370 nan 0.000 0.447 165 E N -0.050 120.044 120.200 -0.177 0.000 2.077 165 E HA -0.133 4.209 4.350 -0.013 0.000 0.193 165 E C 2.127 178.789 176.600 0.104 0.000 0.989 165 E CA 1.333 57.656 56.400 -0.128 0.000 0.800 165 E CB -0.235 29.338 29.700 -0.210 0.000 0.746 165 E HN 0.286 nan 8.360 nan 0.000 0.452 166 G N 0.189 109.004 108.800 0.024 0.000 2.404 166 G HA2 -0.203 3.749 3.960 -0.013 0.000 0.214 166 G HA3 -0.203 3.749 3.960 -0.013 0.000 0.214 166 G C 1.651 176.625 174.900 0.122 0.000 1.189 166 G CA 0.822 45.982 45.100 0.099 0.000 0.789 166 G HN 0.220 nan 8.290 nan 0.000 0.533 167 V N 0.573 120.441 119.914 -0.077 0.000 2.295 167 V HA -0.109 4.003 4.120 -0.013 0.000 0.246 167 V C 2.548 178.702 176.094 0.101 0.000 1.049 167 V CA 1.451 63.689 62.300 -0.104 0.000 1.024 167 V CB -0.642 30.958 31.823 -0.373 0.000 0.648 167 V HN 0.267 nan 8.190 nan 0.000 0.447 168 F N 1.443 121.530 119.950 0.229 0.000 2.234 168 F HA 0.031 4.551 4.527 -0.012 0.000 0.299 168 F C 2.360 178.338 175.800 0.296 0.000 1.087 168 F CA 0.993 59.151 58.000 0.263 0.000 1.340 168 F CB -1.470 37.714 39.000 0.306 0.000 1.031 168 F HN 0.190 nan 8.300 nan 0.000 0.500 169 G N -1.309 107.809 108.800 0.530 0.000 2.408 169 G HA2 -0.310 3.642 3.960 -0.013 0.000 0.217 169 G HA3 -0.310 3.642 3.960 -0.013 0.000 0.217 169 G C 1.589 176.712 174.900 0.372 0.000 1.150 169 G CA 0.553 45.926 45.100 0.456 0.000 0.776 169 G HN 0.492 nan 8.290 nan 0.000 0.542 170 W N 0.960 122.397 121.300 0.228 0.000 2.358 170 W HA -0.086 4.567 4.660 -0.012 0.000 0.303 170 W C 2.443 179.052 176.519 0.150 0.000 1.208 170 W CA 1.688 59.132 57.345 0.164 0.000 1.274 170 W CB -0.230 29.305 29.460 0.126 0.000 1.138 170 W HN 0.029 nan 8.180 nan 0.000 0.515 171 V N 0.440 120.617 119.914 0.438 0.000 2.343 171 V HA -0.347 3.765 4.120 -0.013 0.000 0.247 171 V C 2.252 178.427 176.094 0.135 0.000 1.051 171 V CA 2.443 64.939 62.300 0.327 0.000 1.036 171 V CB -1.461 30.611 31.823 0.414 0.000 0.654 171 V HN 0.213 nan 8.190 nan 0.000 0.451 172 T N 0.461 115.066 114.554 0.084 0.000 2.635 172 T HA -0.235 4.107 4.350 -0.013 0.000 0.267 172 T C 2.060 176.705 174.700 -0.092 0.000 1.040 172 T CA 1.938 64.016 62.100 -0.037 0.000 1.156 172 T CB -0.491 68.313 68.868 -0.107 0.000 0.863 172 T HN 0.587 nan 8.240 nan 0.000 0.430 173 A N 2.250 124.963 122.820 -0.179 0.000 1.877 173 A HA -0.145 4.167 4.320 -0.013 0.000 0.216 173 A C 2.274 179.656 177.584 -0.336 0.000 1.186 173 A CA 1.531 53.418 52.037 -0.249 0.000 0.620 173 A CB -0.628 18.229 19.000 -0.239 0.000 0.822 173 A HN 0.458 nan 8.150 nan 0.000 0.443 174 N N -1.773 116.602 118.700 -0.542 0.000 2.270 174 N HA -0.144 4.588 4.740 -0.013 0.000 0.181 174 N C 1.656 176.713 175.510 -0.754 0.000 1.016 174 N CA 1.549 54.068 53.050 -0.884 0.000 0.870 174 N CB -0.383 37.167 38.487 -1.561 0.000 0.979 174 N HN 0.691 nan 8.380 nan 0.000 0.431 175 Y N 2.012 122.058 120.300 -0.423 0.000 2.145 175 Y HA -0.072 4.470 4.550 -0.014 0.000 0.286 175 Y C 2.285 178.087 175.900 -0.163 0.000 1.145 175 Y CA 1.286 59.319 58.100 -0.112 0.000 1.148 175 Y CB -0.404 38.094 38.460 0.065 0.000 0.981 175 Y HN -0.079 nan 8.280 nan 0.000 0.507 176 L N -0.225 120.997 121.223 -0.001 0.000 2.131 176 L HA -0.215 4.117 4.340 -0.013 0.000 0.210 176 L C 1.909 178.678 176.870 -0.168 0.000 1.092 176 L CA 1.069 55.867 54.840 -0.069 0.000 0.759 176 L CB -0.378 41.661 42.059 -0.033 0.000 0.903 176 L HN 0.307 nan 8.230 nan 0.000 0.435 177 L N -0.765 120.327 121.223 -0.220 0.000 2.592 177 L HA 0.059 4.391 4.340 -0.013 0.000 0.227 177 L C 0.322 177.064 176.870 -0.213 0.000 1.127 177 L CA 0.049 54.766 54.840 -0.206 0.000 0.884 177 L CB -0.164 41.764 42.059 -0.219 0.000 1.065 177 L HN 0.261 nan 8.230 nan 0.000 0.457 178 E N -0.296 119.740 120.200 -0.273 0.000 2.513 178 E HA -0.228 4.114 4.350 -0.013 0.000 0.257 178 E C 0.315 176.824 176.600 -0.151 0.000 1.098 178 E CA 0.183 56.449 56.400 -0.224 0.000 0.752 178 E CB -1.133 28.504 29.700 -0.105 0.000 1.324 178 E HN 0.454 nan 8.360 nan 0.000 0.403 179 N N -0.648 117.834 118.700 -0.364 0.000 2.461 179 N HA -0.005 4.727 4.740 -0.013 0.000 0.188 179 N C 0.598 175.987 175.510 -0.201 0.000 1.134 179 N CA 0.659 53.533 53.050 -0.294 0.000 0.878 179 N CB 0.073 38.262 38.487 -0.496 0.000 0.972 179 N HN 0.220 nan 8.380 nan 0.000 0.456 180 F N 0.522 120.419 119.950 -0.089 0.000 2.727 180 F HA 0.281 4.801 4.527 -0.013 0.000 0.302 180 F C 0.923 176.627 175.800 -0.161 0.000 1.097 180 F CA -0.799 57.171 58.000 -0.051 0.000 1.330 180 F CB -0.002 38.963 39.000 -0.059 0.000 1.084 180 F HN -0.143 nan 8.300 nan 0.000 0.578 181 I N 1.505 122.007 120.570 -0.114 0.000 2.710 181 I HA -0.083 4.079 4.170 -0.013 0.000 0.286 181 I C 0.760 176.674 176.117 -0.338 0.000 1.181 181 I CA 0.002 61.084 61.300 -0.363 0.000 1.430 181 I CB 0.403 37.971 38.000 -0.720 0.000 1.367 181 I HN 0.049 nan 8.210 nan 0.000 0.577 182 K N 7.105 127.349 120.400 -0.260 0.000 2.292 182 K HA 0.159 4.471 4.320 -0.013 0.000 0.290 182 K C -1.046 175.481 176.600 -0.121 0.000 1.083 182 K CA -0.259 55.881 56.287 -0.244 0.000 0.918 182 K CB 0.175 32.269 32.500 -0.677 0.000 1.089 182 K HN 0.258 nan 8.250 nan 0.000 0.473 183 Y N 2.810 123.198 120.300 0.148 0.000 2.309 183 Y HA 0.408 4.950 4.550 -0.014 0.000 0.327 183 Y C 1.336 177.429 175.900 0.321 0.000 1.172 183 Y CA 1.299 59.525 58.100 0.211 0.000 1.280 183 Y CB 1.623 40.152 38.460 0.115 0.000 1.234 183 Y HN 0.925 nan 8.280 nan 0.000 0.512 184 G N 1.280 110.322 108.800 0.405 0.000 2.342 184 G HA2 0.047 3.999 3.960 -0.013 0.000 0.220 184 G HA3 0.047 3.999 3.960 -0.013 0.000 0.220 184 G C -1.671 173.213 174.900 -0.027 0.000 1.243 184 G CA -0.517 44.613 45.100 0.050 0.000 1.083 184 G HN 1.005 nan 8.290 nan 0.000 0.500 185 W N -2.453 118.310 121.300 -0.895 0.000 2.959 185 W HA 0.721 5.374 4.660 -0.011 0.000 0.358 185 W C -0.091 175.581 176.519 -1.413 0.000 1.228 185 W CA -0.809 55.946 57.345 -0.984 0.000 1.183 185 W CB 0.767 29.994 29.460 -0.388 0.000 1.467 185 W HN 1.198 nan 8.180 nan 0.000 0.578 186 V N 3.696 123.353 119.914 -0.428 0.000 2.584 186 V HA 0.327 4.439 4.120 -0.013 0.000 0.303 186 V C 1.198 177.123 176.094 -0.282 0.000 1.035 186 V CA 2.558 64.726 62.300 -0.220 0.000 1.172 186 V CB 0.291 32.175 31.823 0.102 0.000 0.896 186 V HN 1.933 nan 8.190 nan 0.000 0.486 187 G N 5.218 113.853 108.800 -0.275 0.000 2.179 187 G HA2 -0.302 3.650 3.960 -0.013 0.000 0.260 187 G HA3 -0.302 3.650 3.960 -0.013 0.000 0.260 187 G C 0.527 175.206 174.900 -0.370 0.000 0.977 187 G CA 0.539 45.531 45.100 -0.180 0.000 0.641 187 G HN 1.121 nan 8.290 nan 0.000 0.533 188 R N -0.523 119.480 120.500 -0.828 0.000 2.837 188 R HA 0.355 4.687 4.340 -0.013 0.000 0.245 188 R C -0.889 174.794 176.300 -1.028 0.000 1.712 188 R CA -0.751 54.817 56.100 -0.888 0.000 1.539 188 R CB -0.035 29.612 30.300 -1.088 0.000 1.490 188 R HN 0.219 nan 8.270 nan 0.000 0.667 189 W N 4.033 125.146 121.300 -0.313 0.000 2.316 189 W HA 0.333 4.985 4.660 -0.012 0.000 0.321 189 W C 1.090 177.501 176.519 -0.180 0.000 1.203 189 W CA -1.008 56.208 57.345 -0.215 0.000 1.214 189 W CB 0.691 30.077 29.460 -0.123 0.000 1.169 189 W HN 0.312 nan 8.180 nan 0.000 0.561 190 I N 1.308 121.954 120.570 0.127 0.000 2.710 190 I HA 0.351 4.513 4.170 -0.013 0.000 0.286 190 I C -0.219 175.946 176.117 0.080 0.000 1.181 190 I CA 0.113 61.450 61.300 0.061 0.000 1.430 190 I CB 0.504 38.550 38.000 0.076 0.000 1.367 190 I HN 0.470 nan 8.210 nan 0.000 0.577 191 R N 5.750 126.272 120.500 0.037 0.000 2.574 191 R HA 0.534 4.866 4.340 -0.013 0.000 0.288 191 R C -2.292 174.019 176.300 0.018 0.000 1.004 191 R CA -1.581 54.539 56.100 0.033 0.000 0.895 191 R CB 1.456 31.773 30.300 0.028 0.000 1.191 191 R HN 0.667 nan 8.270 nan 0.000 0.444 192 P HA 0.083 nan 4.420 nan 0.000 0.273 192 P C -0.554 176.769 177.300 0.038 0.000 1.250 192 P CA -0.648 62.465 63.100 0.023 0.000 0.793 192 P CB 0.638 32.349 31.700 0.020 0.000 1.011 193 R N 0.708 121.231 120.500 0.038 0.000 2.678 193 R HA -0.087 4.245 4.340 -0.013 0.000 0.264 193 R C 0.386 176.743 176.300 0.096 0.000 0.995 193 R CA -0.089 56.050 56.100 0.065 0.000 1.098 193 R CB 0.194 30.514 30.300 0.034 0.000 0.949 193 R HN 0.327 nan 8.270 nan 0.000 0.422 194 K N 2.406 122.893 120.400 0.145 0.000 2.504 194 K HA -0.022 4.291 4.320 -0.013 0.000 0.278 194 K C -0.248 176.420 176.600 0.113 0.000 1.025 194 K CA 0.999 57.355 56.287 0.114 0.000 1.093 194 K CB 0.336 32.967 32.500 0.219 0.000 0.873 194 K HN 0.668 nan 8.250 nan 0.000 0.483 195 G N 3.066 111.895 108.800 0.050 0.000 2.594 195 G HA2 0.281 4.233 3.960 -0.013 0.000 0.243 195 G HA3 0.281 4.233 3.960 -0.013 0.000 0.243 195 G C -0.461 174.457 174.900 0.031 0.000 1.229 195 G CA -0.122 45.013 45.100 0.059 0.000 0.843 195 G HN 0.826 nan 8.290 nan 0.000 0.578 196 T N -1.399 113.199 114.554 0.073 0.000 2.945 196 T HA 0.560 4.902 4.350 -0.013 0.000 0.286 196 T C -0.376 174.275 174.700 -0.082 0.000 1.025 196 T CA -0.888 61.189 62.100 -0.038 0.000 1.039 196 T CB 1.802 70.753 68.868 0.137 0.000 1.068 196 T HN 0.344 nan 8.240 nan 0.000 0.497 197 L N 2.361 123.438 121.223 -0.242 0.000 2.265 197 L HA 0.627 4.959 4.340 -0.013 0.000 0.288 197 L C 0.801 177.581 176.870 -0.151 0.000 1.058 197 L CA 0.118 54.824 54.840 -0.224 0.000 0.809 197 L CB 0.337 42.243 42.059 -0.255 0.000 1.179 197 L HN 1.041 nan 8.230 nan 0.000 0.429 198 G N 3.669 112.286 108.800 -0.305 0.000 2.594 198 G HA2 0.507 4.459 3.960 -0.013 0.000 0.243 198 G HA3 0.507 4.459 3.960 -0.013 0.000 0.243 198 G C -0.924 174.077 174.900 0.168 0.000 1.229 198 G CA 0.075 45.002 45.100 -0.287 0.000 0.843 198 G HN 0.996 nan 8.290 nan 0.000 0.578 199 A N 1.165 124.290 122.820 0.509 0.000 2.371 199 A HA 0.783 5.095 4.320 -0.013 0.000 0.311 199 A C -0.289 177.562 177.584 0.445 0.000 1.068 199 A CA -0.632 51.739 52.037 0.557 0.000 0.744 199 A CB 1.269 20.674 19.000 0.675 0.000 1.239 199 A HN 0.620 nan 8.150 nan 0.000 0.435 200 M N 2.279 121.983 119.600 0.174 0.000 2.204 200 M HA 0.311 4.783 4.480 -0.013 0.000 0.293 200 M C -1.622 174.540 176.300 -0.229 0.000 0.994 200 M CA -0.514 54.812 55.300 0.043 0.000 0.925 200 M CB 2.183 34.670 32.600 -0.187 0.000 1.577 200 M HN 0.761 nan 8.290 nan 0.000 0.439 201 D N 3.894 124.276 120.400 -0.029 0.000 2.408 201 D HA 0.431 5.064 4.640 -0.013 0.000 0.243 201 D C -1.865 174.543 176.300 0.181 0.000 1.075 201 D CA -0.466 53.380 54.000 -0.257 0.000 0.832 201 D CB 1.667 42.418 40.800 -0.082 0.000 1.162 201 D HN 0.428 nan 8.370 nan 0.000 0.515 202 L N 4.817 126.057 121.223 0.028 0.000 2.301 202 L HA 0.689 5.022 4.340 -0.013 0.000 0.278 202 L C 0.373 177.273 176.870 0.048 0.000 1.022 202 L CA -0.200 54.569 54.840 -0.119 0.000 0.854 202 L CB 0.912 42.522 42.059 -0.747 0.000 1.226 202 L HN 0.452 nan 8.230 nan 0.000 0.429 203 G N 2.273 111.165 108.800 0.154 0.000 2.574 203 G HA2 0.418 4.370 3.960 -0.013 0.000 0.248 203 G HA3 0.418 4.370 3.960 -0.013 0.000 0.248 203 G C 0.667 175.661 174.900 0.156 0.000 1.422 203 G CA -0.077 45.146 45.100 0.206 0.000 1.051 203 G HN 0.677 nan 8.290 nan 0.000 0.560 204 G N -1.234 107.664 108.800 0.162 0.000 2.453 204 G HA2 0.297 4.249 3.960 -0.013 0.000 0.215 204 G HA3 0.297 4.249 3.960 -0.013 0.000 0.215 204 G C 1.261 176.199 174.900 0.062 0.000 1.147 204 G CA 1.641 46.803 45.100 0.103 0.000 0.802 204 G HN 0.951 nan 8.290 nan 0.000 0.535 205 A N -0.528 122.346 122.820 0.089 0.000 2.312 205 A HA 0.595 4.907 4.320 -0.013 0.000 0.215 205 A C 1.032 178.681 177.584 0.109 0.000 1.256 205 A CA 1.103 53.181 52.037 0.068 0.000 0.966 205 A CB 0.374 19.410 19.000 0.060 0.000 1.053 205 A HN 0.757 nan 8.150 nan 0.000 0.510 206 S N -1.918 113.875 115.700 0.155 0.000 2.651 206 S HA 0.705 5.167 4.470 -0.013 0.000 0.279 206 S C -0.682 174.086 174.600 0.280 0.000 1.148 206 S CA -0.186 58.150 58.200 0.227 0.000 0.837 206 S CB 1.619 64.922 63.200 0.173 0.000 1.138 206 S HN 0.308 nan 8.310 nan 0.000 0.478 207 T N 0.625 115.417 114.554 0.396 0.000 2.893 207 T HA 0.666 5.008 4.350 -0.013 0.000 0.293 207 T C -1.746 173.237 174.700 0.472 0.000 1.027 207 T CA -0.339 62.027 62.100 0.443 0.000 0.988 207 T CB 1.607 70.802 68.868 0.545 0.000 1.043 207 T HN 0.656 nan 8.240 nan 0.000 0.461 208 Q N 2.241 122.283 119.800 0.404 0.000 2.345 208 Q HA 0.747 5.079 4.340 -0.013 0.000 0.268 208 Q C -1.052 175.170 176.000 0.370 0.000 1.054 208 Q CA -0.541 55.453 55.803 0.319 0.000 0.835 208 Q CB 2.658 31.527 28.738 0.218 0.000 1.339 208 Q HN 0.722 nan 8.270 nan 0.000 0.447 209 I N 0.397 121.155 120.570 0.314 0.000 2.533 209 I HA 0.707 4.869 4.170 -0.013 0.000 0.290 209 I C -1.449 174.860 176.117 0.319 0.000 1.056 209 I CA -0.202 61.277 61.300 0.298 0.000 1.057 209 I CB 1.916 39.921 38.000 0.008 0.000 1.240 209 I HN 0.535 nan 8.210 nan 0.000 0.423 210 T N 7.732 122.546 114.554 0.432 0.000 3.172 210 T HA 0.628 4.970 4.350 -0.013 0.000 0.320 210 T C -1.178 173.744 174.700 0.370 0.000 1.085 210 T CA -0.402 61.827 62.100 0.215 0.000 1.052 210 T CB 1.101 70.046 68.868 0.128 0.000 1.107 210 T HN 0.513 nan 8.240 nan 0.000 0.458 211 F N -0.508 119.418 119.950 -0.040 0.000 2.703 211 F HA 0.659 5.178 4.527 -0.013 0.000 0.308 211 F C -0.642 175.062 175.800 -0.159 0.000 1.126 211 F CA -1.327 56.630 58.000 -0.072 0.000 0.959 211 F CB 1.199 40.145 39.000 -0.090 0.000 1.297 211 F HN 0.485 nan 8.300 nan 0.000 0.441 212 E N 1.341 121.613 120.200 0.120 0.000 2.360 212 E HA 0.407 4.749 4.350 -0.013 0.000 0.269 212 E C -1.078 175.598 176.600 0.128 0.000 1.022 212 E CA 0.096 56.531 56.400 0.058 0.000 0.887 212 E CB 1.042 30.917 29.700 0.292 0.000 0.990 212 E HN 0.797 nan 8.360 nan 0.000 0.426 213 T N 1.598 116.143 114.554 -0.014 0.000 2.909 213 T HA 0.225 4.567 4.350 -0.013 0.000 0.299 213 T C 0.523 175.223 174.700 -0.001 0.000 1.073 213 T CA -0.157 61.960 62.100 0.029 0.000 0.999 213 T CB 1.483 70.303 68.868 -0.080 0.000 1.098 213 T HN 0.571 nan 8.240 nan 0.000 0.477 214 T N 0.133 114.705 114.554 0.030 0.000 3.086 214 T HA 0.289 4.631 4.350 -0.013 0.000 0.250 214 T C 0.710 175.428 174.700 0.029 0.000 1.074 214 T CA -0.189 61.922 62.100 0.018 0.000 0.988 214 T CB 0.027 68.908 68.868 0.022 0.000 0.988 214 T HN 0.390 nan 8.240 nan 0.000 0.530 215 S N 3.693 119.419 115.700 0.043 0.000 2.576 215 S HA 0.403 4.866 4.470 -0.013 0.000 0.276 215 S C -2.318 172.330 174.600 0.080 0.000 1.339 215 S CA -0.866 57.376 58.200 0.069 0.000 1.039 215 S CB 0.467 63.725 63.200 0.097 0.000 0.902 215 S HN 0.331 nan 8.310 nan 0.000 0.516 216 P HA 0.103 nan 4.420 nan 0.000 0.266 216 P C -0.418 176.904 177.300 0.037 0.000 1.195 216 P CA -0.176 62.951 63.100 0.045 0.000 0.768 216 P CB 0.390 32.101 31.700 0.019 0.000 0.838 217 S N 1.539 117.234 115.700 -0.008 0.000 2.549 217 S HA 0.075 4.537 4.470 -0.013 0.000 0.279 217 S C 0.666 175.063 174.600 -0.337 0.000 1.321 217 S CA -0.116 58.031 58.200 -0.089 0.000 1.054 217 S CB 0.012 63.196 63.200 -0.028 0.000 0.899 217 S HN 0.410 nan 8.310 nan 0.000 0.497 218 E N 1.777 121.466 120.200 -0.852 0.000 2.514 218 E HA 0.152 4.494 4.350 -0.013 0.000 0.215 218 E C -0.806 175.473 176.600 -0.535 0.000 0.946 218 E CA -0.061 55.856 56.400 -0.806 0.000 1.038 218 E CB 0.577 29.535 29.700 -1.236 0.000 1.069 218 E HN 0.619 nan 8.360 nan 0.000 0.503 219 D N 0.174 120.260 120.400 -0.522 0.000 2.686 219 D HA 0.156 4.788 4.640 -0.013 0.000 0.249 219 D C -2.232 173.999 176.300 -0.115 0.000 1.260 219 D CA -2.208 51.658 54.000 -0.223 0.000 0.910 219 D CB 1.966 42.582 40.800 -0.307 0.000 1.323 219 D HN -0.281 nan 8.370 nan 0.000 0.561 220 P HA -0.025 nan 4.420 nan 0.000 0.217 220 P C 1.360 178.621 177.300 -0.065 0.000 1.148 220 P CA 1.075 64.144 63.100 -0.051 0.000 0.828 220 P CB 0.300 31.983 31.700 -0.030 0.000 0.783 221 G N -0.780 107.986 108.800 -0.058 0.000 2.479 221 G HA2 -0.251 3.701 3.960 -0.013 0.000 0.220 221 G HA3 -0.251 3.701 3.960 -0.013 0.000 0.220 221 G C 1.177 175.995 174.900 -0.137 0.000 1.115 221 G CA 0.872 45.925 45.100 -0.077 0.000 0.757 221 G HN 0.360 nan 8.290 nan 0.000 0.560 222 N N -0.808 117.801 118.700 -0.152 0.000 2.254 222 N HA 0.147 4.879 4.740 -0.013 0.000 0.190 222 N C 0.387 175.702 175.510 -0.325 0.000 1.107 222 N CA -0.150 52.715 53.050 -0.309 0.000 0.869 222 N CB 0.651 38.983 38.487 -0.258 0.000 0.983 222 N HN 0.355 nan 8.380 nan 0.000 0.487 223 E N 1.506 121.590 120.200 -0.194 0.000 2.200 223 E HA 0.329 4.672 4.350 -0.013 0.000 0.283 223 E C -1.266 175.198 176.600 -0.225 0.000 1.015 223 E CA -0.413 55.876 56.400 -0.185 0.000 0.819 223 E CB 0.902 30.556 29.700 -0.076 0.000 1.081 223 E HN -0.187 nan 8.360 nan 0.000 0.397 224 V N 5.409 125.115 119.914 -0.347 0.000 2.638 224 V HA 0.291 4.403 4.120 -0.013 0.000 0.306 224 V C -0.825 175.027 176.094 -0.403 0.000 1.052 224 V CA -0.825 61.289 62.300 -0.310 0.000 0.885 224 V CB 1.846 33.451 31.823 -0.362 0.000 0.999 224 V HN 0.712 nan 8.190 nan 0.000 0.424 225 H N 5.376 124.413 119.070 -0.055 0.000 2.589 225 H HA 0.606 5.155 4.556 -0.012 0.000 0.335 225 H C -1.074 174.284 175.328 0.049 0.000 1.019 225 H CA -0.369 55.712 56.048 0.055 0.000 1.213 225 H CB 2.184 31.985 29.762 0.065 0.000 1.472 225 H HN 0.425 nan 8.280 nan 0.000 0.508 226 L N 2.617 123.973 121.223 0.222 0.000 2.346 226 L HA 0.508 4.840 4.340 -0.013 0.000 0.274 226 L C 0.224 177.238 176.870 0.240 0.000 1.007 226 L CA -0.952 53.989 54.840 0.168 0.000 0.818 226 L CB 2.170 44.317 42.059 0.148 0.000 1.284 226 L HN 0.264 nan 8.230 nan 0.000 0.424 227 R N 3.075 123.643 120.500 0.114 0.000 2.337 227 R HA 0.697 5.029 4.340 -0.013 0.000 0.319 227 R C -1.772 174.536 176.300 0.013 0.000 0.954 227 R CA -0.133 56.020 56.100 0.089 0.000 0.840 227 R CB 0.580 30.886 30.300 0.011 0.000 1.164 227 R HN 0.571 nan 8.270 nan 0.000 0.472 228 L N 5.599 126.858 121.223 0.061 0.000 2.406 228 L HA 0.431 4.763 4.340 -0.013 0.000 0.272 228 L C -0.617 176.275 176.870 0.037 0.000 0.980 228 L CA -1.117 53.626 54.840 -0.162 0.000 0.831 228 L CB 1.624 43.461 42.059 -0.371 0.000 1.253 228 L HN 0.685 nan 8.230 nan 0.000 0.406 229 Y N 2.221 122.533 120.300 0.020 0.000 3.491 229 Y HA -0.247 4.295 4.550 -0.014 0.000 0.215 229 Y C 1.458 177.417 175.900 0.099 0.000 1.219 229 Y CA 1.108 59.246 58.100 0.065 0.000 1.485 229 Y CB -1.889 36.625 38.460 0.090 0.000 1.450 229 Y HN 1.001 nan 8.280 nan 0.000 0.603 230 G N -1.796 107.098 108.800 0.157 0.000 2.176 230 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.253 230 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.253 230 G C -0.037 174.934 174.900 0.118 0.000 0.979 230 G CA 0.206 45.391 45.100 0.143 0.000 0.641 230 G HN 0.395 nan 8.290 nan 0.000 0.530 231 Q N -0.097 119.784 119.800 0.136 0.000 2.345 231 Q HA 0.422 4.754 4.340 -0.013 0.000 0.268 231 Q C -0.628 175.391 176.000 0.030 0.000 1.054 231 Q CA -0.670 55.153 55.803 0.035 0.000 0.835 231 Q CB 1.688 30.422 28.738 -0.005 0.000 1.339 231 Q HN 0.633 nan 8.270 nan 0.000 0.447 232 H N 1.807 120.752 119.070 -0.208 0.000 2.517 232 H HA 0.355 4.902 4.556 -0.015 0.000 0.317 232 H C -1.245 173.877 175.328 -0.343 0.000 1.080 232 H CA -0.358 55.604 56.048 -0.143 0.000 1.301 232 H CB 0.523 30.234 29.762 -0.085 0.000 1.425 232 H HN 0.478 nan 8.280 nan 0.000 0.471 233 Y N 4.073 124.396 120.300 0.038 0.000 2.341 233 Y HA 0.231 4.775 4.550 -0.010 0.000 0.338 233 Y C 0.264 176.014 175.900 -0.250 0.000 0.965 233 Y CA -0.877 57.169 58.100 -0.091 0.000 1.108 233 Y CB 1.286 39.833 38.460 0.145 0.000 1.180 233 Y HN 0.546 nan 8.280 nan 0.000 0.458 234 R N 3.147 123.475 120.500 -0.285 0.000 2.207 234 R HA 0.694 5.027 4.340 -0.013 0.000 0.334 234 R C -1.800 174.312 176.300 -0.313 0.000 1.013 234 R CA -0.312 55.588 56.100 -0.334 0.000 0.858 234 R CB 0.475 30.616 30.300 -0.265 0.000 1.094 234 R HN 0.580 nan 8.270 nan 0.000 0.457 235 V N 5.272 124.927 119.914 -0.433 0.000 2.735 235 V HA 0.302 4.414 4.120 -0.013 0.000 0.310 235 V C -1.177 174.639 176.094 -0.464 0.000 1.061 235 V CA -0.901 61.087 62.300 -0.520 0.000 0.913 235 V CB 1.817 33.172 31.823 -0.780 0.000 1.005 235 V HN 0.687 nan 8.190 nan 0.000 0.428 236 Y N 2.703 122.607 120.300 -0.660 0.000 2.361 236 Y HA 0.719 5.261 4.550 -0.015 0.000 0.332 236 Y C -0.002 175.581 175.900 -0.528 0.000 1.101 236 Y CA 0.071 57.803 58.100 -0.613 0.000 1.137 236 Y CB 1.930 39.850 38.460 -0.900 0.000 1.207 236 Y HN 0.661 nan 8.280 nan 0.000 0.463 237 T N 4.467 118.345 114.554 -1.126 0.000 2.916 237 T HA 0.422 4.764 4.350 -0.013 0.000 0.305 237 T C -2.405 171.793 174.700 -0.836 0.000 1.119 237 T CA -0.453 61.183 62.100 -0.774 0.000 1.008 237 T CB 0.805 69.414 68.868 -0.431 0.000 1.129 237 T HN 0.841 nan 8.240 nan 0.000 0.480 238 H N 0.622 119.376 119.070 -0.526 0.000 2.996 238 H HA 0.661 5.209 4.556 -0.013 0.000 0.368 238 H C -1.346 173.836 175.328 -0.242 0.000 1.185 238 H CA -0.374 55.412 56.048 -0.436 0.000 1.160 238 H CB 2.081 31.572 29.762 -0.451 0.000 1.820 238 H HN 0.530 nan 8.280 nan 0.000 0.547 239 S N 4.005 119.176 115.700 -0.881 0.000 2.478 239 S HA 0.434 4.897 4.470 -0.013 0.000 0.312 239 S C -1.400 172.856 174.600 -0.574 0.000 1.094 239 S CA -0.599 57.347 58.200 -0.424 0.000 1.081 239 S CB 0.038 63.083 63.200 -0.258 0.000 1.007 239 S HN 0.409 nan 8.310 nan 0.000 0.475 240 F N 4.918 124.909 119.950 0.068 0.000 2.368 240 F HA 0.381 4.901 4.527 -0.013 0.000 0.362 240 F C 0.261 176.224 175.800 0.271 0.000 1.137 240 F CA -0.721 57.390 58.000 0.185 0.000 1.161 240 F CB 0.729 39.860 39.000 0.218 0.000 1.265 240 F HN 0.438 nan 8.300 nan 0.000 0.530 241 L N 3.610 125.016 121.223 0.305 0.000 2.456 241 L HA 0.174 4.506 4.340 -0.013 0.000 0.272 241 L C 0.699 177.778 176.870 0.349 0.000 1.189 241 L CA 0.213 55.202 54.840 0.248 0.000 0.846 241 L CB 0.222 42.359 42.059 0.130 0.000 1.111 241 L HN 0.883 nan 8.230 nan 0.000 0.475 242 c N 2.671 121.391 118.600 0.199 0.000 4.784 242 c HA -0.218 4.344 4.570 -0.013 0.000 0.261 242 c C 0.837 174.871 174.090 -0.093 0.000 1.492 242 c CA 0.742 57.100 56.329 0.049 0.000 1.622 242 c CB -3.165 39.345 42.510 0.000 0.000 1.855 242 c HN 0.858 nan 8.230 nan 0.000 0.662 243 Y N 0.921 121.308 120.300 0.144 0.000 2.607 243 Y HA 0.443 4.986 4.550 -0.012 0.000 0.266 243 Y C 1.598 177.559 175.900 0.102 0.000 1.178 243 Y CA 0.583 58.769 58.100 0.144 0.000 1.226 243 Y CB -0.030 38.681 38.460 0.418 0.000 1.144 243 Y HN 0.468 nan 8.280 nan 0.000 0.528 244 G N -0.047 108.828 108.800 0.125 0.000 2.599 244 G HA2 0.093 4.045 3.960 -0.013 0.000 0.264 244 G HA3 0.093 4.045 3.960 -0.013 0.000 0.264 244 G C 1.000 175.837 174.900 -0.104 0.000 1.200 244 G CA -0.464 44.678 45.100 0.070 0.000 0.896 244 G HN 0.313 nan 8.290 nan 0.000 0.536 245 R N -0.461 119.996 120.500 -0.072 0.000 2.094 245 R HA -0.134 4.198 4.340 -0.013 0.000 0.239 245 R C 1.690 177.892 176.300 -0.163 0.000 1.137 245 R CA 2.179 58.196 56.100 -0.139 0.000 0.943 245 R CB -0.250 30.025 30.300 -0.042 0.000 0.850 245 R HN 0.613 nan 8.270 nan 0.000 0.433 246 D N -0.068 120.276 120.400 -0.093 0.000 2.144 246 D HA -0.142 4.491 4.640 -0.013 0.000 0.200 246 D C 2.115 178.341 176.300 -0.124 0.000 0.978 246 D CA 0.923 54.870 54.000 -0.089 0.000 0.833 246 D CB -0.112 40.663 40.800 -0.041 0.000 0.961 246 D HN 0.315 nan 8.370 nan 0.000 0.470 247 Q N 0.225 119.943 119.800 -0.136 0.000 2.079 247 Q HA -0.061 4.272 4.340 -0.013 0.000 0.200 247 Q C 2.406 178.243 176.000 -0.272 0.000 0.974 247 Q CA 0.409 56.109 55.803 -0.171 0.000 0.840 247 Q CB -0.127 28.530 28.738 -0.136 0.000 0.898 247 Q HN 0.330 nan 8.270 nan 0.000 0.430 248 I N 1.006 121.343 120.570 -0.390 0.000 2.208 248 I HA -0.256 3.906 4.170 -0.013 0.000 0.245 248 I C 2.431 178.342 176.117 -0.345 0.000 1.097 248 I CA 1.101 62.085 61.300 -0.527 0.000 1.363 248 I CB -1.129 36.292 38.000 -0.964 0.000 1.051 248 I HN 0.182 nan 8.210 nan 0.000 0.413 249 L N -0.394 120.676 121.223 -0.254 0.000 2.042 249 L HA -0.246 4.086 4.340 -0.013 0.000 0.210 249 L C 2.588 179.388 176.870 -0.116 0.000 1.076 249 L CA 0.937 55.696 54.840 -0.135 0.000 0.749 249 L CB -0.564 41.442 42.059 -0.089 0.000 0.893 249 L HN 0.205 nan 8.230 nan 0.000 0.432 250 L N -0.163 120.974 121.223 -0.143 0.000 2.046 250 L HA -0.204 4.128 4.340 -0.013 0.000 0.208 250 L C 2.735 179.478 176.870 -0.211 0.000 1.077 250 L CA 1.731 56.474 54.840 -0.161 0.000 0.747 250 L CB -0.435 41.532 42.059 -0.153 0.000 0.896 250 L HN 0.091 nan 8.230 nan 0.000 0.432 251 R N -1.181 119.184 120.500 -0.225 0.000 2.081 251 R HA -0.119 4.213 4.340 -0.013 0.000 0.235 251 R C 2.230 178.393 176.300 -0.229 0.000 1.131 251 R CA 1.433 57.395 56.100 -0.231 0.000 0.960 251 R CB -0.430 29.704 30.300 -0.276 0.000 0.856 251 R HN 0.342 nan 8.270 nan 0.000 0.436 252 L N 0.281 121.371 121.223 -0.222 0.000 2.093 252 L HA -0.167 4.165 4.340 -0.013 0.000 0.208 252 L C 2.348 178.998 176.870 -0.366 0.000 1.085 252 L CA 0.583 55.290 54.840 -0.221 0.000 0.755 252 L CB -0.419 41.577 42.059 -0.105 0.000 0.904 252 L HN 0.198 nan 8.230 nan 0.000 0.435 253 L N 0.365 121.404 121.223 -0.308 0.000 2.017 253 L HA -0.144 4.188 4.340 -0.013 0.000 0.208 253 L C 2.659 179.294 176.870 -0.391 0.000 1.073 253 L CA 2.058 56.648 54.840 -0.417 0.000 0.745 253 L CB -0.799 41.136 42.059 -0.206 0.000 0.894 253 L HN 0.136 nan 8.230 nan 0.000 0.432 254 A N -1.412 121.209 122.820 -0.331 0.000 1.883 254 A HA -0.270 4.042 4.320 -0.013 0.000 0.217 254 A C 2.543 180.027 177.584 -0.168 0.000 1.186 254 A CA 2.246 54.118 52.037 -0.275 0.000 0.624 254 A CB -1.303 17.543 19.000 -0.257 0.000 0.822 254 A HN 0.559 nan 8.150 nan 0.000 0.444 255 S N -0.741 114.830 115.700 -0.215 0.000 2.356 255 S HA -0.022 4.440 4.470 -0.013 0.000 0.223 255 S C 2.227 176.657 174.600 -0.284 0.000 1.032 255 S CA 1.561 59.635 58.200 -0.209 0.000 1.005 255 S CB -0.527 62.555 63.200 -0.197 0.000 0.867 255 S HN 0.845 nan 8.310 nan 0.000 0.449 256 A N 1.498 124.077 122.820 -0.401 0.000 1.908 256 A HA -0.029 4.283 4.320 -0.013 0.000 0.218 256 A C 2.205 179.574 177.584 -0.359 0.000 1.181 256 A CA 1.591 53.355 52.037 -0.454 0.000 0.627 256 A CB -0.939 17.535 19.000 -0.875 0.000 0.818 256 A HN 0.570 nan 8.150 nan 0.000 0.445 257 L N -0.964 120.078 121.223 -0.302 0.000 2.043 257 L HA -0.295 4.037 4.340 -0.013 0.000 0.212 257 L C 2.957 179.745 176.870 -0.136 0.000 1.075 257 L CA 2.138 56.876 54.840 -0.170 0.000 0.752 257 L CB -0.439 41.569 42.059 -0.084 0.000 0.891 257 L HN 0.672 nan 8.230 nan 0.000 0.432 258 Q N 0.147 119.864 119.800 -0.140 0.000 2.083 258 Q HA -0.146 4.186 4.340 -0.013 0.000 0.198 258 Q C 2.187 178.064 176.000 -0.205 0.000 0.969 258 Q CA 1.477 57.202 55.803 -0.130 0.000 0.838 258 Q CB 0.082 28.760 28.738 -0.101 0.000 0.900 258 Q HN 0.514 nan 8.270 nan 0.000 0.436 259 I N -0.640 119.735 120.570 -0.325 0.000 2.585 259 I HA -0.111 4.051 4.170 -0.013 0.000 0.254 259 I C 1.764 177.517 176.117 -0.606 0.000 1.129 259 I CA 0.508 61.515 61.300 -0.489 0.000 1.455 259 I CB 0.039 37.631 38.000 -0.680 0.000 1.111 259 I HN 0.289 nan 8.210 nan 0.000 0.433 260 H N 0.325 119.155 119.070 -0.401 0.000 2.800 260 H HA 0.298 4.846 4.556 -0.013 0.000 0.257 260 H C 0.569 175.610 175.328 -0.477 0.000 0.967 260 H CA 0.024 55.675 56.048 -0.662 0.000 1.192 260 H CB 0.520 29.391 29.762 -1.486 0.000 1.441 260 H HN 0.076 nan 8.280 nan 0.000 0.461 261 R N 0.013 120.388 120.500 -0.210 0.000 3.863 261 R HA -0.197 4.136 4.340 -0.013 0.000 0.313 261 R C -0.823 175.509 176.300 0.054 0.000 1.202 261 R CA 1.239 57.300 56.100 -0.065 0.000 0.852 261 R CB -2.401 27.910 30.300 0.019 0.000 1.292 261 R HN 0.254 nan 8.270 nan 0.000 0.519 262 F N -4.426 115.548 119.950 0.040 0.000 2.692 262 F HA 0.631 5.150 4.527 -0.013 0.000 0.320 262 F C -0.162 175.621 175.800 -0.029 0.000 1.123 262 F CA -1.634 56.380 58.000 0.023 0.000 0.961 262 F CB 0.971 39.986 39.000 0.025 0.000 1.383 262 F HN -0.162 nan 8.300 nan 0.000 0.483 263 H N 2.923 122.069 119.070 0.126 0.000 2.718 263 H HA 0.407 4.955 4.556 -0.013 0.000 0.295 263 H C -2.230 173.131 175.328 0.054 0.000 1.051 263 H CA -2.952 52.991 56.048 -0.176 0.000 1.260 263 H CB 1.949 31.263 29.762 -0.748 0.000 1.403 263 H HN 0.361 nan 8.280 nan 0.000 0.488 264 P HA -0.083 nan 4.420 nan 0.000 0.223 264 P C 1.019 178.420 177.300 0.168 0.000 1.151 264 P CA 0.617 63.871 63.100 0.256 0.000 0.787 264 P CB 0.245 32.017 31.700 0.120 0.000 0.788 265 c N -2.645 116.046 118.600 0.151 0.000 2.481 265 c HA 0.089 4.651 4.570 -0.013 0.000 0.275 265 c C 1.299 175.376 174.090 -0.021 0.000 1.419 265 c CA -0.542 55.787 56.329 -0.000 0.000 1.773 265 c CB -1.574 40.911 42.510 -0.041 0.000 1.862 265 c HN 0.209 nan 8.230 nan 0.000 0.530 266 W N 1.984 123.098 121.300 -0.310 0.000 2.237 266 W HA 0.332 4.985 4.660 -0.013 0.000 0.335 266 W C -2.353 174.115 176.519 -0.086 0.000 1.230 266 W CA -2.849 54.332 57.345 -0.274 0.000 1.253 266 W CB -0.675 28.647 29.460 -0.229 0.000 1.129 266 W HN -0.037 nan 8.180 nan 0.000 0.590 267 P HA 0.041 nan 4.420 nan 0.000 0.275 267 P C -0.302 177.115 177.300 0.195 0.000 1.227 267 P CA -0.350 62.851 63.100 0.169 0.000 0.781 267 P CB 0.638 32.483 31.700 0.243 0.000 0.906 268 K N 2.074 122.577 120.400 0.171 0.000 2.472 268 K HA 0.184 4.496 4.320 -0.013 0.000 0.280 268 K C 1.099 177.815 176.600 0.194 0.000 1.028 268 K CA 1.107 57.479 56.287 0.142 0.000 1.045 268 K CB -0.852 31.703 32.500 0.091 0.000 0.902 268 K HN 0.804 nan 8.250 nan 0.000 0.478 269 G N 3.141 112.034 108.800 0.156 0.000 2.213 269 G HA2 -0.293 3.659 3.960 -0.013 0.000 0.226 269 G HA3 -0.293 3.659 3.960 -0.013 0.000 0.226 269 G C -0.598 174.368 174.900 0.110 0.000 0.992 269 G CA 0.164 45.375 45.100 0.185 0.000 0.632 269 G HN 0.685 nan 8.290 nan 0.000 0.511 270 Y N 2.676 122.843 120.300 -0.223 0.000 2.313 270 Y HA 0.601 5.143 4.550 -0.013 0.000 0.332 270 Y C 0.341 176.033 175.900 -0.346 0.000 1.071 270 Y CA -0.253 57.421 58.100 -0.711 0.000 1.169 270 Y CB 1.482 39.205 38.460 -1.228 0.000 1.192 270 Y HN 0.670 nan 8.280 nan 0.000 0.487 271 S N 3.856 118.947 115.700 -1.015 0.000 2.579 271 S HA 0.787 5.249 4.470 -0.013 0.000 0.272 271 S C -0.870 173.236 174.600 -0.824 0.000 1.141 271 S CA -0.690 57.129 58.200 -0.635 0.000 0.843 271 S CB 2.042 65.106 63.200 -0.226 0.000 1.122 271 S HN 0.814 nan 8.310 nan 0.000 0.468 272 T N 0.619 114.921 114.554 -0.420 0.000 2.821 272 T HA 0.447 4.789 4.350 -0.013 0.000 0.306 272 T C -1.983 172.674 174.700 -0.072 0.000 1.313 272 T CA -0.528 61.389 62.100 -0.304 0.000 1.012 272 T CB 1.767 70.413 68.868 -0.370 0.000 1.298 272 T HN 0.610 nan 8.240 nan 0.000 0.502 273 Q N 2.388 122.155 119.800 -0.055 0.000 2.349 273 Q HA 0.402 4.735 4.340 -0.013 0.000 0.254 273 Q C -0.573 175.440 176.000 0.022 0.000 0.980 273 Q CA -0.211 55.588 55.803 -0.007 0.000 0.924 273 Q CB 1.338 30.066 28.738 -0.017 0.000 1.209 273 Q HN 0.487 nan 8.270 nan 0.000 0.445 274 V N 4.427 124.371 119.914 0.051 0.000 2.383 274 V HA 0.161 4.273 4.120 -0.013 0.000 0.275 274 V C 0.071 176.185 176.094 0.033 0.000 1.036 274 V CA -0.749 61.586 62.300 0.059 0.000 0.889 274 V CB 1.227 33.099 31.823 0.081 0.000 0.985 274 V HN 0.577 nan 8.190 nan 0.000 0.459 275 L N 5.969 127.205 121.223 0.022 0.000 2.283 275 L HA 0.313 4.645 4.340 -0.013 0.000 0.287 275 L C 0.996 177.878 176.870 0.021 0.000 1.073 275 L CA 0.533 55.385 54.840 0.020 0.000 0.822 275 L CB 0.507 42.573 42.059 0.013 0.000 1.186 275 L HN 0.590 nan 8.230 nan 0.000 0.436 276 L N 3.159 124.413 121.223 0.051 0.000 2.131 276 L HA -0.202 4.130 4.340 -0.013 0.000 0.210 276 L C 2.258 179.204 176.870 0.127 0.000 1.092 276 L CA 1.332 56.235 54.840 0.104 0.000 0.759 276 L CB -0.360 41.804 42.059 0.175 0.000 0.903 276 L HN 0.865 nan 8.230 nan 0.000 0.435 277 Q N 0.732 120.583 119.800 0.084 0.000 2.096 277 Q HA -0.254 4.078 4.340 -0.013 0.000 0.204 277 Q C 1.880 177.903 176.000 0.039 0.000 0.982 277 Q CA 1.991 57.837 55.803 0.072 0.000 0.850 277 Q CB -0.006 28.757 28.738 0.042 0.000 0.901 277 Q HN 0.570 nan 8.270 nan 0.000 0.422 278 E N -0.241 119.961 120.200 0.003 0.000 2.150 278 E HA -0.130 4.212 4.350 -0.013 0.000 0.193 278 E C 2.165 178.717 176.600 -0.080 0.000 0.985 278 E CA 1.229 57.613 56.400 -0.027 0.000 0.814 278 E CB 0.070 29.754 29.700 -0.026 0.000 0.752 278 E HN 0.249 nan 8.360 nan 0.000 0.466 279 V N 0.518 120.342 119.914 -0.149 0.000 2.295 279 V HA -0.239 3.873 4.120 -0.013 0.000 0.246 279 V C 1.514 177.348 176.094 -0.433 0.000 1.049 279 V CA 1.687 63.764 62.300 -0.371 0.000 1.024 279 V CB -0.502 30.944 31.823 -0.629 0.000 0.648 279 V HN 0.259 nan 8.190 nan 0.000 0.447 280 Y N 0.489 120.769 120.300 -0.034 0.000 2.468 280 Y HA 0.096 4.638 4.550 -0.013 0.000 0.268 280 Y C 2.365 178.249 175.900 -0.028 0.000 1.177 280 Y CA 0.096 58.174 58.100 -0.036 0.000 1.265 280 Y CB -0.425 38.013 38.460 -0.036 0.000 1.103 280 Y HN 0.439 nan 8.280 nan 0.000 0.522 281 Q N -0.670 119.167 119.800 0.061 0.000 2.311 281 Q HA 0.002 4.334 4.340 -0.013 0.000 0.203 281 Q C 0.970 176.983 176.000 0.021 0.000 0.954 281 Q CA 0.538 56.365 55.803 0.041 0.000 0.885 281 Q CB 0.018 28.768 28.738 0.021 0.000 0.963 281 Q HN 0.204 nan 8.270 nan 0.000 0.471 282 S N 1.468 117.169 115.700 0.001 0.000 2.565 282 S HA 0.158 4.620 4.470 -0.013 0.000 0.276 282 S C -1.815 172.788 174.600 0.005 0.000 1.326 282 S CA -1.487 56.708 58.200 -0.009 0.000 1.045 282 S CB 0.999 64.176 63.200 -0.039 0.000 0.918 282 S HN 0.022 nan 8.310 nan 0.000 0.505 283 P HA -0.061 nan 4.420 nan 0.000 0.218 283 P C 0.914 178.219 177.300 0.009 0.000 1.146 283 P CA 1.067 64.176 63.100 0.015 0.000 0.813 283 P CB -0.035 31.676 31.700 0.019 0.000 0.778 284 c N -2.131 116.461 118.600 -0.013 0.000 2.481 284 c HA 0.021 4.583 4.570 -0.013 0.000 0.275 284 c C 2.213 176.273 174.090 -0.051 0.000 1.419 284 c CA 1.566 57.871 56.329 -0.040 0.000 1.773 284 c CB -1.742 40.719 42.510 -0.081 0.000 1.862 284 c HN 0.362 nan 8.230 nan 0.000 0.530 285 T N -3.937 110.602 114.554 -0.025 0.000 2.975 285 T HA 0.209 4.552 4.350 -0.013 0.000 0.261 285 T C 1.412 176.177 174.700 0.109 0.000 0.984 285 T CA -0.027 62.075 62.100 0.003 0.000 0.911 285 T CB -0.359 68.465 68.868 -0.073 0.000 1.127 285 T HN 0.276 nan 8.240 nan 0.000 0.514 286 M N 1.646 121.294 119.600 0.080 0.000 2.195 286 M HA 0.008 4.480 4.480 -0.013 0.000 0.260 286 M C 2.575 178.906 176.300 0.053 0.000 1.066 286 M CA 1.952 57.302 55.300 0.083 0.000 1.089 286 M CB -0.612 32.015 32.600 0.045 0.000 1.377 286 M HN 0.550 nan 8.290 nan 0.000 0.411 287 G N -0.319 108.505 108.800 0.040 0.000 2.448 287 G HA2 -0.139 3.814 3.960 -0.013 0.000 0.219 287 G HA3 -0.139 3.814 3.960 -0.013 0.000 0.219 287 G C 0.783 175.692 174.900 0.015 0.000 1.127 287 G CA 0.426 45.538 45.100 0.021 0.000 0.766 287 G HN 0.442 nan 8.290 nan 0.000 0.552 288 Q N -1.390 118.442 119.800 0.054 0.000 2.189 288 Q HA 0.781 5.113 4.340 -0.013 0.000 0.193 288 Q C 0.229 176.220 176.000 -0.016 0.000 1.034 288 Q CA -0.390 55.455 55.803 0.070 0.000 1.062 288 Q CB 0.845 29.674 28.738 0.153 0.000 1.118 288 Q HN 0.253 nan 8.270 nan 0.000 0.569 298 I N 1.446 122.032 120.570 0.026 0.000 2.582 298 I HA 0.582 4.744 4.170 -0.013 0.000 0.292 298 I C -0.837 175.296 176.117 0.027 0.000 1.066 298 I CA -1.272 60.044 61.300 0.026 0.000 1.053 298 I CB 2.428 40.439 38.000 0.017 0.000 1.241 298 I HN 0.278 nan 8.210 nan 0.000 0.421 299 V N 1.363 121.297 119.914 0.033 0.000 2.789 299 V HA 0.622 4.734 4.120 -0.013 0.000 0.311 299 V C -0.222 175.897 176.094 0.041 0.000 1.073 299 V CA -0.523 61.798 62.300 0.035 0.000 0.921 299 V CB 1.710 33.556 31.823 0.038 0.000 1.009 299 V HN 0.671 nan 8.190 nan 0.000 0.426 300 S N 4.546 120.269 115.700 0.039 0.000 2.523 300 S HA 0.725 5.188 4.470 -0.013 0.000 0.275 300 S C -0.483 174.165 174.600 0.079 0.000 1.281 300 S CA -0.260 57.966 58.200 0.044 0.000 1.050 300 S CB 0.935 64.151 63.200 0.027 0.000 0.937 300 S HN 0.890 nan 8.310 nan 0.000 0.492 301 L N 2.954 124.254 121.223 0.129 0.000 2.409 301 L HA 0.601 4.933 4.340 -0.013 0.000 0.272 301 L C -0.621 176.433 176.870 0.307 0.000 0.980 301 L CA 0.101 55.065 54.840 0.206 0.000 0.826 301 L CB 2.039 44.227 42.059 0.213 0.000 1.268 301 L HN 0.622 nan 8.230 nan 0.000 0.407 302 S N 1.903 117.774 115.700 0.284 0.000 2.568 302 S HA 0.863 5.326 4.470 -0.013 0.000 0.302 302 S C -0.099 174.741 174.600 0.401 0.000 1.082 302 S CA -0.329 58.036 58.200 0.275 0.000 1.009 302 S CB 1.760 65.044 63.200 0.141 0.000 1.069 302 S HN 0.896 nan 8.310 nan 0.000 0.500 303 G N 0.146 109.195 108.800 0.414 0.000 2.504 303 G HA2 0.464 4.417 3.960 -0.013 0.000 0.288 303 G HA3 0.464 4.417 3.960 -0.013 0.000 0.288 303 G C 0.569 175.596 174.900 0.211 0.000 1.182 303 G CA -0.172 45.172 45.100 0.406 0.000 0.894 303 G HN 0.762 nan 8.290 nan 0.000 0.521 304 T N -3.571 111.081 114.554 0.163 0.000 3.087 304 T HA 0.238 4.580 4.350 -0.013 0.000 0.283 304 T C 0.775 175.492 174.700 0.027 0.000 0.956 304 T CA 0.787 62.895 62.100 0.013 0.000 0.894 304 T CB -0.005 68.728 68.868 -0.226 0.000 1.160 304 T HN 1.034 nan 8.240 nan 0.000 0.532 305 S N 2.233 117.985 115.700 0.087 0.000 3.524 305 S HA -0.148 4.314 4.470 -0.013 0.000 0.377 305 S C -0.160 174.468 174.600 0.046 0.000 0.949 305 S CA 0.444 58.689 58.200 0.075 0.000 1.264 305 S CB -1.875 61.369 63.200 0.073 0.000 0.918 305 S HN 0.781 nan 8.310 nan 0.000 0.517 306 N N 0.537 119.268 118.700 0.052 0.000 2.707 306 N HA 0.581 5.313 4.740 -0.013 0.000 0.235 306 N C 0.766 176.305 175.510 0.048 0.000 1.028 306 N CA 0.221 53.292 53.050 0.035 0.000 0.906 306 N CB 0.921 39.426 38.487 0.031 0.000 1.131 306 N HN 0.372 nan 8.380 nan 0.000 0.509 307 A N 2.297 125.141 122.820 0.040 0.000 1.940 307 A HA -0.123 4.189 4.320 -0.013 0.000 0.219 307 A C 1.918 179.525 177.584 0.039 0.000 1.176 307 A CA 1.830 53.891 52.037 0.039 0.000 0.631 307 A CB -0.490 18.524 19.000 0.025 0.000 0.814 307 A HN 0.584 nan 8.150 nan 0.000 0.446 308 T N 0.157 114.731 114.554 0.034 0.000 2.777 308 T HA -0.025 4.317 4.350 -0.013 0.000 0.266 308 T C 1.779 176.510 174.700 0.053 0.000 1.040 308 T CA 1.246 63.369 62.100 0.037 0.000 1.141 308 T CB -0.285 68.601 68.868 0.031 0.000 0.868 308 T HN 0.351 nan 8.240 nan 0.000 0.444 309 L N 0.440 121.697 121.223 0.056 0.000 2.141 309 L HA -0.077 4.255 4.340 -0.013 0.000 0.209 309 L C 2.893 179.808 176.870 0.075 0.000 1.094 309 L CA 0.672 55.552 54.840 0.066 0.000 0.763 309 L CB -0.481 41.593 42.059 0.026 0.000 0.908 309 L HN 0.447 nan 8.230 nan 0.000 0.437 310 c N 0.199 118.843 118.600 0.074 0.000 2.432 310 c HA -0.190 4.373 4.570 -0.013 0.000 0.277 310 c C 3.103 177.247 174.090 0.091 0.000 1.249 310 c CA 1.035 57.417 56.329 0.087 0.000 1.725 310 c CB -0.702 41.860 42.510 0.085 0.000 2.028 310 c HN 0.495 nan 8.230 nan 0.000 0.477 311 R N 0.399 120.947 120.500 0.080 0.000 2.083 311 R HA -0.155 4.178 4.340 -0.013 0.000 0.237 311 R C 1.801 178.156 176.300 0.092 0.000 1.137 311 R CA 2.477 58.628 56.100 0.085 0.000 0.951 311 R CB -0.638 29.699 30.300 0.061 0.000 0.851 311 R HN 0.550 nan 8.270 nan 0.000 0.434 312 D N 0.669 121.119 120.400 0.083 0.000 2.123 312 D HA -0.181 4.451 4.640 -0.013 0.000 0.196 312 D C 1.881 178.230 176.300 0.082 0.000 0.992 312 D CA 0.875 54.924 54.000 0.083 0.000 0.833 312 D CB -0.239 40.614 40.800 0.088 0.000 0.954 312 D HN 0.174 nan 8.370 nan 0.000 0.455 313 L N 0.495 121.769 121.223 0.085 0.000 2.017 313 L HA -0.140 4.192 4.340 -0.013 0.000 0.208 313 L C 2.348 179.245 176.870 0.044 0.000 1.073 313 L CA 1.154 56.025 54.840 0.050 0.000 0.745 313 L CB -0.366 41.719 42.059 0.045 0.000 0.894 313 L HN -0.114 nan 8.230 nan 0.000 0.432 314 V N -0.559 119.411 119.914 0.092 0.000 2.343 314 V HA -0.288 3.824 4.120 -0.013 0.000 0.247 314 V C 2.730 178.947 176.094 0.205 0.000 1.051 314 V CA 1.737 64.127 62.300 0.150 0.000 1.036 314 V CB -1.025 30.933 31.823 0.224 0.000 0.654 314 V HN 0.749 nan 8.190 nan 0.000 0.451 315 S N 0.663 116.480 115.700 0.196 0.000 2.419 315 S HA -0.248 4.215 4.470 -0.013 0.000 0.235 315 S C 1.977 176.691 174.600 0.191 0.000 1.019 315 S CA 1.365 59.708 58.200 0.239 0.000 0.982 315 S CB -0.595 62.685 63.200 0.135 0.000 0.789 315 S HN 0.624 nan 8.310 nan 0.000 0.490 316 R N 0.569 121.120 120.500 0.085 0.000 2.237 316 R HA 0.177 4.509 4.340 -0.013 0.000 0.219 316 R C 1.859 178.144 176.300 -0.025 0.000 1.080 316 R CA 0.994 57.112 56.100 0.031 0.000 0.995 316 R CB -0.562 29.733 30.300 -0.010 0.000 0.875 316 R HN 0.470 nan 8.270 nan 0.000 0.462 317 L N -0.291 120.853 121.223 -0.131 0.000 2.376 317 L HA -0.003 4.329 4.340 -0.013 0.000 0.219 317 L C 0.015 176.631 176.870 -0.423 0.000 1.133 317 L CA 0.575 55.198 54.840 -0.361 0.000 0.816 317 L CB 0.035 41.718 42.059 -0.627 0.000 0.933 317 L HN -0.016 nan 8.230 nan 0.000 0.449 318 F N -0.171 119.808 119.950 0.048 0.000 2.375 318 F HA 0.299 4.818 4.527 -0.013 0.000 0.361 318 F C 0.424 176.279 175.800 0.092 0.000 1.117 318 F CA -1.036 56.942 58.000 -0.036 0.000 1.037 318 F CB 0.468 39.280 39.000 -0.313 0.000 1.192 318 F HN -0.160 nan 8.300 nan 0.000 0.452 319 N N 5.160 124.065 118.700 0.342 0.000 2.420 319 N HA 0.214 4.946 4.740 -0.013 0.000 0.249 319 N C 0.305 175.982 175.510 0.278 0.000 1.033 319 N CA -0.146 53.061 53.050 0.261 0.000 0.944 319 N CB 0.790 39.414 38.487 0.229 0.000 1.113 319 N HN 0.760 nan 8.380 nan 0.000 0.502 320 I N 0.973 121.670 120.570 0.211 0.000 3.927 320 I HA 0.162 4.325 4.170 -0.013 0.000 0.332 320 I C 0.992 177.192 176.117 0.139 0.000 1.485 320 I CA -0.251 61.165 61.300 0.194 0.000 1.131 320 I CB -0.033 38.067 38.000 0.167 0.000 1.092 320 I HN 0.266 nan 8.210 nan 0.000 0.410 321 S N -0.097 115.678 115.700 0.126 0.000 2.461 321 S HA 0.077 4.539 4.470 -0.013 0.000 0.228 321 S C 0.890 175.539 174.600 0.080 0.000 1.005 321 S CA 0.151 58.405 58.200 0.090 0.000 0.942 321 S CB -0.100 63.147 63.200 0.079 0.000 0.776 321 S HN 0.485 nan 8.310 nan 0.000 0.514 322 S N -0.840 114.918 115.700 0.097 0.000 2.536 322 S HA 0.608 5.070 4.470 -0.013 0.000 0.271 322 S C -1.667 172.992 174.600 0.097 0.000 1.134 322 S CA -0.622 57.624 58.200 0.077 0.000 0.897 322 S CB 1.794 65.031 63.200 0.062 0.000 1.094 322 S HN 0.556 nan 8.310 nan 0.000 0.473 323 c N 6.700 125.343 118.600 0.073 0.000 2.727 323 c HA 0.644 5.206 4.570 -0.013 0.000 0.369 323 c C -1.994 172.100 174.090 0.006 0.000 1.067 323 c CA -1.226 55.164 56.329 0.102 0.000 1.273 323 c CB 1.111 43.713 42.510 0.152 0.000 1.778 323 c HN 0.852 nan 8.230 nan 0.000 0.467 324 P HA 0.190 nan 4.420 nan 0.000 0.249 324 P C -0.086 176.902 177.300 -0.520 0.000 1.229 324 P CA 0.528 63.401 63.100 -0.378 0.000 0.788 324 P CB 0.006 31.376 31.700 -0.549 0.000 1.072 325 F N 0.136 120.130 119.950 0.073 0.000 2.585 325 F HA 0.282 4.801 4.527 -0.015 0.000 0.350 325 F C 2.224 178.082 175.800 0.096 0.000 1.074 325 F CA -0.663 57.389 58.000 0.086 0.000 1.032 325 F CB 0.139 39.270 39.000 0.217 0.000 1.330 325 F HN -0.341 nan 8.300 nan 0.000 0.495 326 S N -0.924 114.972 115.700 0.326 0.000 2.402 326 S HA -0.043 4.419 4.470 -0.013 0.000 0.229 326 S C 0.318 175.035 174.600 0.194 0.000 1.021 326 S CA 0.707 59.028 58.200 0.202 0.000 0.974 326 S CB -0.154 63.143 63.200 0.162 0.000 0.800 326 S HN 0.669 nan 8.310 nan 0.000 0.484 327 Q N -1.168 118.800 119.800 0.280 0.000 2.353 327 Q HA 0.589 4.921 4.340 -0.013 0.000 0.275 327 Q C -2.133 173.974 176.000 0.178 0.000 1.029 327 Q CA -0.832 55.063 55.803 0.154 0.000 0.848 327 Q CB 2.062 30.840 28.738 0.067 0.000 1.390 327 Q HN 0.408 nan 8.270 nan 0.000 0.401 328 c N 1.010 119.690 118.600 0.134 0.000 2.848 328 c HA 0.618 5.180 4.570 -0.013 0.000 0.317 328 c C 1.331 175.555 174.090 0.223 0.000 1.260 328 c CA -0.010 56.419 56.329 0.166 0.000 1.656 328 c CB 2.003 44.665 42.510 0.252 0.000 2.174 328 c HN 1.095 nan 8.230 nan 0.000 0.479 329 S N 1.092 116.910 115.700 0.197 0.000 2.288 329 S HA 0.438 4.901 4.470 -0.013 0.000 0.191 329 S C -0.064 174.786 174.600 0.416 0.000 1.028 329 S CA 0.612 58.995 58.200 0.305 0.000 1.030 329 S CB -0.295 63.084 63.200 0.298 0.000 0.932 329 S HN 0.945 nan 8.310 nan 0.000 0.463 330 F N -1.371 118.685 119.950 0.178 0.000 2.745 330 F HA 0.675 5.195 4.527 -0.012 0.000 0.316 330 F C -0.718 175.215 175.800 0.222 0.000 1.155 330 F CA -1.112 56.983 58.000 0.158 0.000 0.937 330 F CB 0.188 39.244 39.000 0.092 0.000 1.361 330 F HN 0.154 nan 8.300 nan 0.000 0.472 331 N N 0.411 119.310 118.700 0.331 0.000 2.725 331 N HA -0.140 4.592 4.740 -0.013 0.000 0.249 331 N C 0.932 176.548 175.510 0.178 0.000 1.103 331 N CA 1.611 54.806 53.050 0.241 0.000 0.707 331 N CB -1.451 37.176 38.487 0.233 0.000 1.043 331 N HN 1.851 nan 8.380 nan 0.000 0.553 332 G N -2.572 106.344 108.800 0.194 0.000 2.168 332 G HA2 -0.328 3.624 3.960 -0.013 0.000 0.257 332 G HA3 -0.328 3.624 3.960 -0.013 0.000 0.257 332 G C 0.087 175.162 174.900 0.291 0.000 0.997 332 G CA 0.393 45.622 45.100 0.216 0.000 0.708 332 G HN 0.525 nan 8.290 nan 0.000 0.520 333 V N 1.320 121.326 119.914 0.153 0.000 2.488 333 V HA 0.507 4.619 4.120 -0.013 0.000 0.277 333 V C 0.826 176.932 176.094 0.021 0.000 1.046 333 V CA -0.737 61.559 62.300 -0.005 0.000 0.986 333 V CB 0.974 32.569 31.823 -0.380 0.000 0.989 333 V HN 0.407 nan 8.190 nan 0.000 0.475 334 F N 5.250 124.977 119.950 -0.373 0.000 2.572 334 F HA 0.315 4.835 4.527 -0.012 0.000 0.370 334 F C 0.148 175.826 175.800 -0.203 0.000 1.103 334 F CA 0.303 57.969 58.000 -0.556 0.000 1.286 334 F CB 0.173 38.415 39.000 -1.263 0.000 1.105 334 F HN 0.596 nan 8.300 nan 0.000 0.583 335 Q N 8.508 127.624 119.800 -1.142 0.000 2.281 335 Q HA 0.354 4.687 4.340 -0.013 0.000 0.263 335 Q C -2.910 172.387 176.000 -1.171 0.000 0.989 335 Q CA -2.160 52.863 55.803 -1.300 0.000 0.852 335 Q CB 2.702 31.108 28.738 -0.555 0.000 1.337 335 Q HN 0.375 nan 8.270 nan 0.000 0.418 336 P HA 0.262 nan 4.420 nan 0.000 0.274 336 P C -2.640 174.526 177.300 -0.223 0.000 1.246 336 P CA -1.441 61.377 63.100 -0.469 0.000 0.795 336 P CB -0.308 31.228 31.700 -0.273 0.000 1.006 337 P HA -0.062 nan 4.420 nan 0.000 0.262 337 P C -0.063 177.134 177.300 -0.172 0.000 1.182 337 P CA 0.223 63.247 63.100 -0.126 0.000 0.761 337 P CB -0.102 31.549 31.700 -0.081 0.000 0.795 338 V N 1.009 120.662 119.914 -0.434 0.000 2.872 338 V HA 0.546 4.659 4.120 -0.013 0.000 0.307 338 V C 0.134 175.990 176.094 -0.397 0.000 1.072 338 V CA -0.388 61.441 62.300 -0.786 0.000 1.148 338 V CB -0.097 30.923 31.823 -1.338 0.000 0.954 338 V HN 0.718 nan 8.190 nan 0.000 0.490 339 A N 2.719 125.374 122.820 -0.276 0.000 2.589 339 A HA 0.918 5.231 4.320 -0.013 0.000 0.296 339 A C 0.165 177.747 177.584 -0.003 0.000 1.062 339 A CA 0.050 52.057 52.037 -0.049 0.000 0.686 339 A CB 1.038 20.046 19.000 0.013 0.000 1.282 339 A HN 2.900 nan 8.150 nan 0.000 0.404 340 G N 1.045 109.863 108.800 0.031 0.000 2.760 340 G HA2 -0.079 3.873 3.960 -0.013 0.000 0.246 340 G HA3 -0.079 3.873 3.960 -0.013 0.000 0.246 340 G C -0.391 174.517 174.900 0.015 0.000 1.359 340 G CA -0.146 44.948 45.100 -0.010 0.000 0.861 340 G HN 1.228 nan 8.290 nan 0.000 0.541 341 N N -0.906 117.765 118.700 -0.048 0.000 2.444 341 N HA 0.625 5.357 4.740 -0.013 0.000 0.255 341 N C -0.420 175.012 175.510 -0.130 0.000 1.255 341 N CA 0.398 53.440 53.050 -0.015 0.000 0.933 341 N CB 0.411 38.863 38.487 -0.059 0.000 1.143 341 N HN 0.431 nan 8.380 nan 0.000 0.453 342 F N 0.346 120.253 119.950 -0.070 0.000 2.588 342 F HA 0.475 4.994 4.527 -0.013 0.000 0.310 342 F C -0.332 175.383 175.800 -0.142 0.000 1.082 342 F CA -0.906 57.056 58.000 -0.064 0.000 0.929 342 F CB 1.450 40.394 39.000 -0.093 0.000 1.254 342 F HN 0.207 nan 8.300 nan 0.000 0.455 343 I N 2.488 123.134 120.570 0.127 0.000 2.354 343 I HA 0.746 4.908 4.170 -0.013 0.000 0.292 343 I C -1.006 175.198 176.117 0.145 0.000 0.989 343 I CA -0.439 60.916 61.300 0.092 0.000 1.188 343 I CB 0.995 39.079 38.000 0.140 0.000 1.342 343 I HN 0.665 nan 8.210 nan 0.000 0.457 344 A N 7.931 130.696 122.820 -0.092 0.000 2.273 344 A HA 0.671 4.983 4.320 -0.013 0.000 0.315 344 A C -0.801 176.959 177.584 0.293 0.000 1.256 344 A CA -0.497 51.431 52.037 -0.182 0.000 0.851 344 A CB 0.226 18.772 19.000 -0.756 0.000 1.172 344 A HN 0.751 nan 8.150 nan 0.000 0.508 345 F N 1.546 121.700 119.950 0.341 0.000 2.914 345 F HA 0.768 5.287 4.527 -0.014 0.000 0.379 345 F C 1.165 177.130 175.800 0.276 0.000 1.324 345 F CA -0.128 58.040 58.000 0.280 0.000 1.112 345 F CB -0.312 38.770 39.000 0.137 0.000 1.574 345 F HN 0.951 nan 8.300 nan 0.000 0.483 346 S N 0.559 116.451 115.700 0.319 0.000 3.917 346 S HA -0.421 4.042 4.470 -0.013 0.000 0.601 346 S C 1.284 175.612 174.600 -0.453 0.000 2.206 346 S CA 0.719 58.896 58.200 -0.038 0.000 4.167 346 S CB -2.125 61.212 63.200 0.228 0.000 0.372 346 S HN 1.944 nan 8.310 nan 0.000 0.766 347 A N 0.159 122.896 122.820 -0.138 0.000 2.119 347 A HA 0.334 4.646 4.320 -0.013 0.000 0.217 347 A C 1.789 179.389 177.584 0.026 0.000 1.153 347 A CA 1.615 53.658 52.037 0.011 0.000 0.692 347 A CB -1.040 18.035 19.000 0.123 0.000 0.799 347 A HN 0.656 nan 8.150 nan 0.000 0.458 348 F N -1.613 118.425 119.950 0.147 0.000 2.102 348 F HA -0.154 4.365 4.527 -0.013 0.000 0.298 348 F C 2.175 178.119 175.800 0.240 0.000 1.105 348 F CA 1.741 59.894 58.000 0.254 0.000 1.239 348 F CB -0.982 38.254 39.000 0.393 0.000 0.991 348 F HN 0.442 nan 8.300 nan 0.000 0.474 349 Y N -0.351 120.148 120.300 0.333 0.000 2.145 349 Y HA -0.314 4.228 4.550 -0.013 0.000 0.286 349 Y C 2.295 178.310 175.900 0.191 0.000 1.145 349 Y CA 1.565 59.811 58.100 0.243 0.000 1.148 349 Y CB -0.864 37.686 38.460 0.151 0.000 0.981 349 Y HN 0.032 nan 8.280 nan 0.000 0.507 350 Y N -0.244 120.250 120.300 0.325 0.000 2.274 350 Y HA -0.181 4.361 4.550 -0.013 0.000 0.290 350 Y C 2.657 178.661 175.900 0.174 0.000 1.145 350 Y CA 1.524 59.761 58.100 0.228 0.000 1.203 350 Y CB -1.468 37.169 38.460 0.295 0.000 0.984 350 Y HN 0.097 nan 8.280 nan 0.000 0.533 351 T N -0.793 113.948 114.554 0.312 0.000 2.851 351 T HA -0.081 4.261 4.350 -0.013 0.000 0.262 351 T C 2.200 176.977 174.700 0.128 0.000 1.043 351 T CA 1.277 63.561 62.100 0.307 0.000 1.140 351 T CB -0.640 68.383 68.868 0.257 0.000 0.872 351 T HN 0.111 nan 8.240 nan 0.000 0.446 352 V N 2.044 121.915 119.914 -0.073 0.000 2.427 352 V HA -0.158 3.954 4.120 -0.013 0.000 0.248 352 V C 2.398 178.356 176.094 -0.226 0.000 1.051 352 V CA 1.813 63.957 62.300 -0.261 0.000 1.048 352 V CB -0.571 30.837 31.823 -0.692 0.000 0.666 352 V HN 0.459 nan 8.190 nan 0.000 0.456 353 D N -0.363 119.869 120.400 -0.281 0.000 2.144 353 D HA -0.232 4.400 4.640 -0.013 0.000 0.199 353 D C 1.912 178.137 176.300 -0.126 0.000 0.984 353 D CA 1.281 55.122 54.000 -0.265 0.000 0.834 353 D CB -0.195 40.383 40.800 -0.371 0.000 0.955 353 D HN 0.396 nan 8.370 nan 0.000 0.465 354 F N 0.638 120.457 119.950 -0.217 0.000 2.134 354 F HA -0.081 4.438 4.527 -0.013 0.000 0.299 354 F C 1.957 177.594 175.800 -0.271 0.000 1.097 354 F CA 1.244 59.039 58.000 -0.341 0.000 1.264 354 F CB -0.218 38.335 39.000 -0.745 0.000 1.001 354 F HN -0.016 nan 8.300 nan 0.000 0.479 355 L N -0.197 120.943 121.223 -0.139 0.000 2.093 355 L HA -0.197 4.135 4.340 -0.013 0.000 0.208 355 L C 2.588 179.316 176.870 -0.236 0.000 1.085 355 L CA 1.833 56.568 54.840 -0.175 0.000 0.755 355 L CB -1.195 40.836 42.059 -0.047 0.000 0.904 355 L HN 0.352 nan 8.230 nan 0.000 0.435 356 T N -4.582 109.852 114.554 -0.200 0.000 2.894 356 T HA -0.120 4.222 4.350 -0.013 0.000 0.258 356 T C 1.833 176.424 174.700 -0.182 0.000 1.043 356 T CA 1.286 63.290 62.100 -0.160 0.000 1.141 356 T CB -0.601 68.199 68.868 -0.113 0.000 0.873 356 T HN 0.409 nan 8.240 nan 0.000 0.449 357 T N -0.519 113.908 114.554 -0.212 0.000 3.031 357 T HA 0.198 4.541 4.350 -0.013 0.000 0.254 357 T C 1.954 176.498 174.700 -0.260 0.000 1.060 357 T CA 0.544 62.534 62.100 -0.183 0.000 1.135 357 T CB -0.471 68.326 68.868 -0.118 0.000 0.896 357 T HN 0.233 nan 8.240 nan 0.000 0.472 358 V N 1.138 120.778 119.914 -0.458 0.000 2.436 358 V HA 0.158 4.270 4.120 -0.013 0.000 0.240 358 V C 2.646 178.425 176.094 -0.526 0.000 1.040 358 V CA 0.797 62.759 62.300 -0.563 0.000 1.052 358 V CB -0.278 30.976 31.823 -0.949 0.000 0.707 358 V HN 0.317 nan 8.190 nan 0.000 0.469 359 M N 0.178 119.401 119.600 -0.628 0.000 2.419 359 M HA 0.200 4.672 4.480 -0.013 0.000 0.264 359 M C 1.735 177.898 176.300 -0.228 0.000 1.082 359 M CA 1.242 56.317 55.300 -0.375 0.000 1.119 359 M CB -1.219 31.194 32.600 -0.312 0.000 1.398 359 M HN 0.589 nan 8.290 nan 0.000 0.453 360 G N 2.055 110.723 108.800 -0.219 0.000 2.246 360 G HA2 -0.235 3.717 3.960 -0.013 0.000 0.273 360 G HA3 -0.235 3.717 3.960 -0.013 0.000 0.273 360 G C -0.160 174.675 174.900 -0.108 0.000 1.055 360 G CA 0.031 45.046 45.100 -0.142 0.000 0.851 360 G HN 0.425 nan 8.290 nan 0.000 0.500 361 L N 0.674 121.829 121.223 -0.113 0.000 2.334 361 L HA 0.570 4.902 4.340 -0.013 0.000 0.276 361 L C -1.692 175.142 176.870 -0.061 0.000 1.014 361 L CA -2.540 52.253 54.840 -0.078 0.000 0.815 361 L CB 2.062 44.076 42.059 -0.075 0.000 1.268 361 L HN -0.060 nan 8.230 nan 0.000 0.428 362 P HA 0.054 nan 4.420 nan 0.000 0.275 362 P C -0.039 177.260 177.300 -0.002 0.000 1.227 362 P CA -0.151 62.941 63.100 -0.014 0.000 0.781 362 P CB 1.488 33.188 31.700 -0.000 0.000 0.906 363 V N -0.970 118.957 119.914 0.022 0.000 3.078 363 V HA 0.401 4.513 4.120 -0.013 0.000 0.344 363 V C 1.542 177.757 176.094 0.200 0.000 1.409 363 V CA 0.735 63.074 62.300 0.065 0.000 1.146 363 V CB -0.034 31.782 31.823 -0.011 0.000 1.126 363 V HN 0.529 nan 8.190 nan 0.000 0.513 364 G N 1.744 110.642 108.800 0.163 0.000 2.471 364 G HA2 0.104 4.056 3.960 -0.013 0.000 0.219 364 G HA3 0.104 4.056 3.960 -0.013 0.000 0.219 364 G C 0.756 175.846 174.900 0.317 0.000 1.125 364 G CA 1.402 46.615 45.100 0.188 0.000 0.775 364 G HN 0.817 nan 8.290 nan 0.000 0.548 365 T N -3.054 111.685 114.554 0.309 0.000 2.930 365 T HA 0.536 4.879 4.350 -0.013 0.000 0.290 365 T C 1.246 175.996 174.700 0.084 0.000 1.052 365 T CA -0.830 61.456 62.100 0.310 0.000 1.017 365 T CB 1.816 70.772 68.868 0.145 0.000 1.137 365 T HN -0.131 nan 8.240 nan 0.000 0.511 366 L N 0.544 121.638 121.223 -0.214 0.000 2.083 366 L HA -0.024 4.308 4.340 -0.013 0.000 0.209 366 L C 2.907 179.712 176.870 -0.108 0.000 1.083 366 L CA 1.607 56.207 54.840 -0.400 0.000 0.752 366 L CB -0.456 41.389 42.059 -0.358 0.000 0.899 366 L HN 0.834 nan 8.230 nan 0.000 0.433 367 K N 0.040 120.410 120.400 -0.050 0.000 2.057 367 K HA -0.227 4.085 4.320 -0.013 0.000 0.207 367 K C 2.122 178.686 176.600 -0.060 0.000 1.049 367 K CA 1.456 57.717 56.287 -0.043 0.000 0.931 367 K CB -0.015 32.477 32.500 -0.014 0.000 0.714 367 K HN 0.311 nan 8.250 nan 0.000 0.440 368 Q N 0.277 120.062 119.800 -0.024 0.000 2.084 368 Q HA -0.177 4.155 4.340 -0.013 0.000 0.202 368 Q C 2.149 178.120 176.000 -0.048 0.000 0.978 368 Q CA 1.436 57.227 55.803 -0.019 0.000 0.844 368 Q CB -0.172 28.581 28.738 0.025 0.000 0.898 368 Q HN 0.273 nan 8.270 nan 0.000 0.426 369 L N 1.231 122.422 121.223 -0.053 0.000 2.012 369 L HA -0.217 4.116 4.340 -0.013 0.000 0.210 369 L C 2.141 178.902 176.870 -0.181 0.000 1.073 369 L CA 2.007 56.803 54.840 -0.073 0.000 0.748 369 L CB -0.563 41.465 42.059 -0.053 0.000 0.891 369 L HN 0.212 nan 8.230 nan 0.000 0.431 370 E N -0.573 119.421 120.200 -0.343 0.000 2.058 370 E HA -0.271 4.071 4.350 -0.013 0.000 0.194 370 E C 2.009 178.456 176.600 -0.256 0.000 0.997 370 E CA 1.657 57.721 56.400 -0.559 0.000 0.801 370 E CB -0.113 29.207 29.700 -0.632 0.000 0.746 370 E HN 0.670 nan 8.360 nan 0.000 0.450 371 E N -0.027 120.077 120.200 -0.160 0.000 2.077 371 E HA -0.203 4.139 4.350 -0.013 0.000 0.193 371 E C 2.029 178.587 176.600 -0.071 0.000 0.989 371 E CA 0.987 57.331 56.400 -0.093 0.000 0.800 371 E CB -0.153 29.508 29.700 -0.064 0.000 0.746 371 E HN 0.358 nan 8.360 nan 0.000 0.452 372 A N 0.689 123.469 122.820 -0.067 0.000 1.933 372 A HA -0.162 4.150 4.320 -0.013 0.000 0.218 372 A C 2.337 179.910 177.584 -0.018 0.000 1.175 372 A CA 1.751 53.763 52.037 -0.041 0.000 0.628 372 A CB -0.716 18.260 19.000 -0.040 0.000 0.814 372 A HN 0.169 nan 8.150 nan 0.000 0.444 373 T N -0.648 113.883 114.554 -0.040 0.000 2.777 373 T HA -0.125 4.218 4.350 -0.013 0.000 0.266 373 T C 1.856 176.556 174.700 0.000 0.000 1.040 373 T CA 1.431 63.527 62.100 -0.007 0.000 1.141 373 T CB -0.182 68.661 68.868 -0.041 0.000 0.868 373 T HN 0.688 nan 8.240 nan 0.000 0.444 374 E N 0.594 120.773 120.200 -0.035 0.000 2.038 374 E HA -0.134 4.208 4.350 -0.013 0.000 0.195 374 E C 2.163 178.766 176.600 0.004 0.000 1.000 374 E CA 1.180 57.569 56.400 -0.018 0.000 0.803 374 E CB -0.241 29.435 29.700 -0.039 0.000 0.750 374 E HN 0.457 nan 8.360 nan 0.000 0.448 375 I N 0.634 121.203 120.570 -0.002 0.000 2.208 375 I HA -0.296 3.866 4.170 -0.013 0.000 0.245 375 I C 2.489 178.626 176.117 0.033 0.000 1.097 375 I CA 1.515 62.820 61.300 0.007 0.000 1.363 375 I CB -0.378 37.617 38.000 -0.008 0.000 1.051 375 I HN 0.201 nan 8.210 nan 0.000 0.413 376 T N -0.264 114.322 114.554 0.053 0.000 2.708 376 T HA -0.192 4.151 4.350 -0.013 0.000 0.266 376 T C 1.958 176.723 174.700 0.108 0.000 1.037 376 T CA 1.524 63.688 62.100 0.106 0.000 1.146 376 T CB -0.432 68.534 68.868 0.164 0.000 0.865 376 T HN 0.420 nan 8.240 nan 0.000 0.435 377 c N 1.915 120.565 118.600 0.084 0.000 2.432 377 c HA 0.041 4.603 4.570 -0.013 0.000 0.280 377 c C 2.500 176.634 174.090 0.073 0.000 1.353 377 c CA 0.182 56.560 56.329 0.081 0.000 1.766 377 c CB -1.184 41.364 42.510 0.064 0.000 1.924 377 c HN 0.537 nan 8.230 nan 0.000 0.509 378 N N 0.598 119.333 118.700 0.058 0.000 2.467 378 N HA -0.000 4.732 4.740 -0.013 0.000 0.184 378 N C 0.486 176.031 175.510 0.059 0.000 1.106 378 N CA 0.543 53.622 53.050 0.048 0.000 0.892 378 N CB -0.193 38.311 38.487 0.029 0.000 0.969 378 N HN 0.601 nan 8.380 nan 0.000 0.454 379 Q N 0.945 120.790 119.800 0.075 0.000 2.337 379 Q HA 0.038 4.370 4.340 -0.013 0.000 0.270 379 Q C 0.793 176.864 176.000 0.118 0.000 1.002 379 Q CA 0.211 56.066 55.803 0.087 0.000 0.888 379 Q CB 0.397 29.195 28.738 0.101 0.000 1.222 379 Q HN 0.292 nan 8.270 nan 0.000 0.400 380 T N -1.861 112.760 114.554 0.112 0.000 2.788 380 T HA 0.065 4.407 4.350 -0.013 0.000 0.287 380 T C 0.982 175.831 174.700 0.248 0.000 1.007 380 T CA -0.720 61.475 62.100 0.159 0.000 1.005 380 T CB 0.760 69.699 68.868 0.119 0.000 1.012 380 T HN 0.791 nan 8.240 nan 0.000 0.530 381 W N 1.149 122.480 121.300 0.051 0.000 2.363 381 W HA -0.239 4.413 4.660 -0.013 0.000 0.296 381 W C 2.258 178.800 176.519 0.039 0.000 1.212 381 W CA 1.525 58.902 57.345 0.053 0.000 1.260 381 W CB -0.509 29.009 29.460 0.098 0.000 1.131 381 W HN 0.965 nan 8.180 nan 0.000 0.530 382 T N -1.540 113.020 114.554 0.009 0.000 2.746 382 T HA -0.237 4.105 4.350 -0.013 0.000 0.267 382 T C 1.374 176.002 174.700 -0.120 0.000 1.039 382 T CA 1.734 63.750 62.100 -0.140 0.000 1.142 382 T CB -0.653 68.186 68.868 -0.047 0.000 0.866 382 T HN 0.261 nan 8.240 nan 0.000 0.444 383 E N 0.529 120.710 120.200 -0.032 0.000 2.072 383 E HA 0.010 4.352 4.350 -0.013 0.000 0.191 383 E C 2.063 178.641 176.600 -0.037 0.000 0.985 383 E CA 0.900 57.285 56.400 -0.025 0.000 0.801 383 E CB -0.226 29.482 29.700 0.014 0.000 0.750 383 E HN 0.301 nan 8.360 nan 0.000 0.452 384 L N 1.190 122.407 121.223 -0.009 0.000 2.072 384 L HA -0.181 4.151 4.340 -0.013 0.000 0.205 384 L C 2.099 178.901 176.870 -0.113 0.000 1.079 384 L CA 1.726 56.578 54.840 0.019 0.000 0.752 384 L CB -0.253 41.904 42.059 0.163 0.000 0.906 384 L HN 0.057 nan 8.230 nan 0.000 0.436 385 Q N -0.837 118.758 119.800 -0.342 0.000 2.135 385 Q HA -0.195 4.137 4.340 -0.013 0.000 0.204 385 Q C 2.190 178.056 176.000 -0.223 0.000 0.981 385 Q CA 1.527 57.077 55.803 -0.421 0.000 0.856 385 Q CB -0.386 27.936 28.738 -0.695 0.000 0.902 385 Q HN 0.664 nan 8.270 nan 0.000 0.425 386 A N 1.171 123.887 122.820 -0.173 0.000 2.076 386 A HA -0.195 4.117 4.320 -0.013 0.000 0.220 386 A C 1.807 179.337 177.584 -0.090 0.000 1.160 386 A CA 1.205 53.174 52.037 -0.114 0.000 0.653 386 A CB -0.296 18.650 19.000 -0.089 0.000 0.801 386 A HN 0.240 nan 8.150 nan 0.000 0.455 387 R N -1.293 119.157 120.500 -0.084 0.000 2.276 387 R HA 0.155 4.487 4.340 -0.013 0.000 0.196 387 R C -0.611 175.647 176.300 -0.070 0.000 0.961 387 R CA 0.367 56.418 56.100 -0.081 0.000 1.024 387 R CB 0.288 30.534 30.300 -0.090 0.000 0.940 387 R HN 0.266 nan 8.270 nan 0.000 0.480 388 V N 2.295 122.176 119.914 -0.056 0.000 2.380 388 V HA 0.174 4.287 4.120 -0.013 0.000 0.272 388 V C -2.008 174.060 176.094 -0.043 0.000 1.011 388 V CA -1.239 61.046 62.300 -0.025 0.000 0.826 388 V CB 1.842 33.684 31.823 0.032 0.000 1.040 388 V HN -0.039 nan 8.190 nan 0.000 0.441 389 P HA 0.017 nan 4.420 nan 0.000 0.221 389 P C 1.088 178.371 177.300 -0.029 0.000 1.150 389 P CA 0.997 64.073 63.100 -0.040 0.000 0.800 389 P CB 0.445 32.124 31.700 -0.034 0.000 0.787 390 G N -0.309 108.483 108.800 -0.014 0.000 2.773 390 G HA2 0.328 4.280 3.960 -0.013 0.000 0.186 390 G HA3 0.328 4.280 3.960 -0.013 0.000 0.186 390 G C -0.620 174.283 174.900 0.005 0.000 1.411 390 G CA -0.375 44.723 45.100 -0.003 0.000 1.054 390 G HN 0.165 nan 8.290 nan 0.000 0.579 391 Q N -0.378 119.431 119.800 0.015 0.000 2.361 391 Q HA 0.285 4.617 4.340 -0.013 0.000 0.276 391 Q C 0.002 176.027 176.000 0.042 0.000 1.022 391 Q CA 0.291 56.108 55.803 0.024 0.000 0.898 391 Q CB 0.830 29.580 28.738 0.020 0.000 1.246 391 Q HN 0.277 nan 8.270 nan 0.000 0.410 392 K N 1.408 121.841 120.400 0.054 0.000 2.399 392 K HA 0.098 4.410 4.320 -0.013 0.000 0.204 392 K C -0.142 176.517 176.600 0.098 0.000 1.023 392 K CA 0.324 56.666 56.287 0.092 0.000 1.127 392 K CB 0.214 32.783 32.500 0.115 0.000 0.856 392 K HN 0.929 nan 8.250 nan 0.000 0.514 393 T N -0.546 114.038 114.554 0.049 0.000 2.940 393 T HA 0.156 4.498 4.350 -0.013 0.000 0.309 393 T C 0.698 175.377 174.700 -0.034 0.000 1.056 393 T CA -0.167 61.932 62.100 -0.001 0.000 1.137 393 T CB 0.838 69.694 68.868 -0.020 0.000 0.976 393 T HN 0.419 nan 8.240 nan 0.000 0.547 394 R N -0.714 119.709 120.500 -0.128 0.000 3.884 394 R HA -0.171 4.161 4.340 -0.013 0.000 0.464 394 R C 1.176 177.265 176.300 -0.351 0.000 0.963 394 R CA 0.875 56.800 56.100 -0.291 0.000 1.408 394 R CB -2.135 27.945 30.300 -0.367 0.000 2.054 394 R HN 0.574 nan 8.270 nan 0.000 0.522 395 L N 0.984 122.166 121.223 -0.069 0.000 2.046 395 L HA 0.032 4.365 4.340 -0.013 0.000 0.208 395 L C 2.390 179.254 176.870 -0.011 0.000 1.077 395 L CA 2.495 57.400 54.840 0.108 0.000 0.747 395 L CB -0.506 41.711 42.059 0.262 0.000 0.896 395 L HN 0.321 nan 8.230 nan 0.000 0.432 396 A N -1.486 121.154 122.820 -0.300 0.000 2.172 396 A HA -0.123 4.189 4.320 -0.013 0.000 0.216 396 A C 1.674 178.994 177.584 -0.441 0.000 1.154 396 A CA 1.496 53.134 52.037 -0.665 0.000 0.701 396 A CB -0.525 17.352 19.000 -1.872 0.000 0.789 396 A HN 0.532 nan 8.150 nan 0.000 0.465 397 D N -2.142 118.032 120.400 -0.377 0.000 2.360 397 D HA 0.062 4.694 4.640 -0.013 0.000 0.210 397 D C 0.976 177.107 176.300 -0.281 0.000 1.047 397 D CA 0.319 54.152 54.000 -0.278 0.000 0.854 397 D CB -0.124 40.489 40.800 -0.312 0.000 0.936 397 D HN 0.532 nan 8.370 nan 0.000 0.514 398 Y N 0.848 121.002 120.300 -0.244 0.000 2.181 398 Y HA -0.221 4.321 4.550 -0.013 0.000 0.288 398 Y C 2.679 178.529 175.900 -0.083 0.000 1.146 398 Y CA 0.705 58.644 58.100 -0.267 0.000 1.164 398 Y CB -0.743 37.302 38.460 -0.691 0.000 0.982 398 Y HN 0.122 nan 8.280 nan 0.000 0.515 399 c N 0.277 118.942 118.600 0.108 0.000 2.393 399 c HA -0.259 4.303 4.570 -0.013 0.000 0.276 399 c C 2.967 177.112 174.090 0.092 0.000 1.215 399 c CA 1.595 57.989 56.329 0.109 0.000 1.743 399 c CB -1.418 41.148 42.510 0.093 0.000 2.044 399 c HN 0.564 nan 8.230 nan 0.000 0.464 400 A N 0.077 122.931 122.820 0.057 0.000 1.902 400 A HA -0.042 4.271 4.320 -0.013 0.000 0.217 400 A C 2.390 180.040 177.584 0.111 0.000 1.181 400 A CA 2.436 54.513 52.037 0.067 0.000 0.623 400 A CB -0.929 18.084 19.000 0.021 0.000 0.818 400 A HN 0.578 nan 8.150 nan 0.000 0.443 401 V N -0.183 119.774 119.914 0.072 0.000 2.358 401 V HA -0.213 3.899 4.120 -0.013 0.000 0.246 401 V C 3.030 179.255 176.094 0.218 0.000 1.047 401 V CA 1.860 64.238 62.300 0.130 0.000 1.035 401 V CB -1.311 30.530 31.823 0.031 0.000 0.658 401 V HN 0.610 nan 8.190 nan 0.000 0.452 402 A N -0.348 122.579 122.820 0.180 0.000 1.902 402 A HA -0.267 4.046 4.320 -0.013 0.000 0.217 402 A C 2.183 179.867 177.584 0.166 0.000 1.181 402 A CA 2.390 54.530 52.037 0.171 0.000 0.623 402 A CB -0.550 18.543 19.000 0.156 0.000 0.818 402 A HN 0.466 nan 8.150 nan 0.000 0.443 403 M N -1.402 118.296 119.600 0.163 0.000 2.117 403 M HA -0.082 4.390 4.480 -0.013 0.000 0.262 403 M C 1.801 178.231 176.300 0.217 0.000 1.065 403 M CA 1.803 57.203 55.300 0.166 0.000 1.114 403 M CB -0.659 32.028 32.600 0.146 0.000 1.361 403 M HN 0.452 nan 8.290 nan 0.000 0.408 404 F N 0.279 120.294 119.950 0.108 0.000 2.095 404 F HA -0.179 4.340 4.527 -0.013 0.000 0.298 404 F C 1.843 177.723 175.800 0.134 0.000 1.104 404 F CA 1.853 59.935 58.000 0.137 0.000 1.232 404 F CB -0.560 38.488 39.000 0.080 0.000 0.987 404 F HN 0.176 nan 8.300 nan 0.000 0.475 405 I N -0.353 120.219 120.570 0.003 0.000 2.179 405 I HA -0.349 3.813 4.170 -0.013 0.000 0.242 405 I C 2.737 178.791 176.117 -0.105 0.000 1.088 405 I CA 1.748 63.026 61.300 -0.037 0.000 1.357 405 I CB -0.827 37.310 38.000 0.229 0.000 1.051 405 I HN 0.300 nan 8.210 nan 0.000 0.409 406 H N 1.254 120.257 119.070 -0.111 0.000 2.353 406 H HA -0.184 4.364 4.556 -0.013 0.000 0.300 406 H C 2.090 177.249 175.328 -0.282 0.000 1.090 406 H CA 1.833 57.774 56.048 -0.178 0.000 1.327 406 H CB 0.110 29.794 29.762 -0.130 0.000 1.383 406 H HN 0.451 nan 8.280 nan 0.000 0.508 407 Q N -0.052 119.520 119.800 -0.381 0.000 2.079 407 Q HA -0.114 4.219 4.340 -0.013 0.000 0.200 407 Q C 2.612 177.993 176.000 -1.031 0.000 0.974 407 Q CA 1.051 56.485 55.803 -0.615 0.000 0.840 407 Q CB -0.032 28.504 28.738 -0.336 0.000 0.898 407 Q HN 0.300 nan 8.270 nan 0.000 0.430 408 L N 0.958 121.602 121.223 -0.966 0.000 1.990 408 L HA -0.214 4.118 4.340 -0.013 0.000 0.213 408 L C 2.015 178.339 176.870 -0.911 0.000 1.072 408 L CA 1.728 55.916 54.840 -1.088 0.000 0.755 408 L CB -0.519 40.973 42.059 -0.945 0.000 0.889 408 L HN 0.184 nan 8.230 nan 0.000 0.432 409 L N -1.080 119.804 121.223 -0.564 0.000 2.056 409 L HA -0.165 4.167 4.340 -0.013 0.000 0.207 409 L C 2.561 179.298 176.870 -0.222 0.000 1.078 409 L CA 1.500 56.183 54.840 -0.262 0.000 0.749 409 L CB -0.754 41.140 42.059 -0.275 0.000 0.901 409 L HN 0.525 nan 8.230 nan 0.000 0.433 410 S N 0.212 115.626 115.700 -0.477 0.000 2.387 410 S HA -0.118 4.344 4.470 -0.013 0.000 0.221 410 S C 1.975 176.363 174.600 -0.353 0.000 1.041 410 S CA 0.393 58.362 58.200 -0.385 0.000 0.959 410 S CB -0.230 62.636 63.200 -0.556 0.000 0.843 410 S HN 0.484 nan 8.310 nan 0.000 0.488 411 R N 1.146 121.323 120.500 -0.537 0.000 2.265 411 R HA 0.376 4.708 4.340 -0.013 0.000 0.194 411 R C 2.094 177.982 176.300 -0.686 0.000 0.931 411 R CA 0.727 56.536 56.100 -0.483 0.000 1.032 411 R CB -0.638 29.401 30.300 -0.436 0.000 0.980 411 R HN 0.403 nan 8.270 nan 0.000 0.497 412 G N 0.529 108.762 108.800 -0.945 0.000 2.508 412 G HA2 -0.119 3.833 3.960 -0.013 0.000 0.212 412 G HA3 -0.119 3.833 3.960 -0.013 0.000 0.212 412 G C 0.588 175.172 174.900 -0.528 0.000 1.206 412 G CA -0.002 44.595 45.100 -0.839 0.000 0.822 412 G HN 0.207 nan 8.290 nan 0.000 0.550 413 Y N 0.793 120.832 120.300 -0.436 0.000 2.523 413 Y HA 0.179 4.722 4.550 -0.012 0.000 0.279 413 Y C 1.023 176.643 175.900 -0.467 0.000 1.139 413 Y CA -0.253 57.650 58.100 -0.328 0.000 1.296 413 Y CB -0.344 38.094 38.460 -0.037 0.000 1.045 413 Y HN 0.430 nan 8.280 nan 0.000 0.538 414 H N -2.752 116.307 119.070 -0.019 0.000 2.886 414 H HA -0.190 4.358 4.556 -0.013 0.000 0.294 414 H C -0.324 174.901 175.328 -0.171 0.000 1.246 414 H CA 0.216 56.199 56.048 -0.108 0.000 1.142 414 H CB -2.514 27.178 29.762 -0.116 0.000 1.358 414 H HN 0.182 nan 8.280 nan 0.000 0.406 415 F N 2.261 122.165 119.950 -0.077 0.000 2.553 415 F HA 0.190 4.710 4.527 -0.012 0.000 0.356 415 F C 1.433 177.199 175.800 -0.057 0.000 1.142 415 F CA 0.861 58.817 58.000 -0.073 0.000 1.322 415 F CB 0.630 39.590 39.000 -0.066 0.000 1.126 415 F HN 0.272 nan 8.300 nan 0.000 0.599 416 D N 0.086 120.590 120.400 0.174 0.000 2.687 416 D HA 0.215 4.847 4.640 -0.013 0.000 0.264 416 D C 0.535 176.928 176.300 0.155 0.000 1.091 416 D CA -0.573 53.488 54.000 0.101 0.000 1.123 416 D CB 0.340 41.170 40.800 0.050 0.000 1.407 416 D HN 0.292 nan 8.370 nan 0.000 0.591 417 E N -0.307 119.957 120.200 0.107 0.000 2.118 417 E HA -0.196 4.147 4.350 -0.013 0.000 0.195 417 E C 1.792 178.492 176.600 0.167 0.000 0.992 417 E CA 0.882 57.370 56.400 0.146 0.000 0.804 417 E CB -0.119 29.638 29.700 0.095 0.000 0.741 417 E HN 0.505 nan 8.360 nan 0.000 0.458 418 R N 0.978 121.549 120.500 0.118 0.000 2.066 418 R HA -0.113 4.220 4.340 -0.013 0.000 0.232 418 R C 2.461 178.835 176.300 0.125 0.000 1.131 418 R CA 1.892 58.050 56.100 0.097 0.000 0.955 418 R CB -0.099 30.236 30.300 0.059 0.000 0.851 418 R HN 0.195 nan 8.270 nan 0.000 0.432 419 S N -0.367 115.429 115.700 0.160 0.000 2.406 419 S HA -0.118 4.344 4.470 -0.013 0.000 0.228 419 S C 1.789 176.608 174.600 0.365 0.000 1.020 419 S CA 0.581 58.911 58.200 0.216 0.000 0.965 419 S CB -0.508 62.750 63.200 0.098 0.000 0.798 419 S HN 0.424 nan 8.310 nan 0.000 0.488 420 F N 2.950 123.023 119.950 0.206 0.000 2.293 420 F HA 0.192 4.711 4.527 -0.013 0.000 0.300 420 F C 2.472 178.273 175.800 0.002 0.000 1.086 420 F CA 0.828 58.848 58.000 0.033 0.000 1.375 420 F CB -0.294 38.699 39.000 -0.012 0.000 1.045 420 F HN 0.094 nan 8.300 nan 0.000 0.516 421 R N 0.383 120.901 120.500 0.031 0.000 2.200 421 R HA -0.144 4.188 4.340 -0.013 0.000 0.234 421 R C 1.231 177.461 176.300 -0.118 0.000 1.127 421 R CA 1.521 57.590 56.100 -0.053 0.000 0.989 421 R CB -0.193 30.129 30.300 0.036 0.000 0.869 421 R HN 0.218 nan 8.270 nan 0.000 0.459 422 E N -0.014 120.141 120.200 -0.075 0.000 2.479 422 E HA 0.052 4.394 4.350 -0.013 0.000 0.193 422 E C -0.236 176.309 176.600 -0.091 0.000 1.049 422 E CA 0.101 56.480 56.400 -0.035 0.000 0.870 422 E CB 0.624 30.368 29.700 0.074 0.000 0.944 422 E HN 0.068 nan 8.360 nan 0.000 0.492 423 V N 2.255 121.976 119.914 -0.321 0.000 2.465 423 V HA 0.215 4.327 4.120 -0.013 0.000 0.279 423 V C 0.359 176.125 176.094 -0.546 0.000 1.045 423 V CA -0.802 61.194 62.300 -0.508 0.000 0.938 423 V CB 1.439 32.696 31.823 -0.944 0.000 0.986 423 V HN -0.003 nan 8.190 nan 0.000 0.467 424 V N 2.138 121.789 119.914 -0.438 0.000 2.715 424 V HA 0.702 4.814 4.120 -0.013 0.000 0.310 424 V C -0.983 174.861 176.094 -0.417 0.000 1.054 424 V CA -0.817 61.294 62.300 -0.314 0.000 0.928 424 V CB 1.843 33.604 31.823 -0.104 0.000 1.007 424 V HN 0.534 nan 8.190 nan 0.000 0.437 425 F N 3.311 123.301 119.950 0.068 0.000 2.332 425 F HA 0.781 5.301 4.527 -0.012 0.000 0.368 425 F C 0.419 176.441 175.800 0.371 0.000 1.110 425 F CA -0.107 58.019 58.000 0.210 0.000 1.087 425 F CB 1.437 40.540 39.000 0.172 0.000 1.235 425 F HN 0.493 nan 8.300 nan 0.000 0.470 426 Q N 2.048 122.115 119.800 0.445 0.000 2.435 426 Q HA 0.273 4.605 4.340 -0.013 0.000 0.282 426 Q C -0.097 175.893 176.000 -0.016 0.000 1.020 426 Q CA -0.731 55.188 55.803 0.195 0.000 0.820 426 Q CB 2.672 31.460 28.738 0.083 0.000 1.436 426 Q HN 0.782 nan 8.270 nan 0.000 0.395 427 K N -0.636 119.535 120.400 -0.381 0.000 2.402 427 K HA 0.378 4.691 4.320 -0.013 0.000 0.204 427 K C 0.177 176.671 176.600 -0.178 0.000 1.056 427 K CA -0.096 56.029 56.287 -0.270 0.000 1.069 427 K CB 1.425 33.660 32.500 -0.442 0.000 0.888 427 K HN 0.257 nan 8.250 nan 0.000 0.546 428 K N 0.922 121.228 120.400 -0.156 0.000 2.498 428 K HA 0.631 4.943 4.320 -0.013 0.000 0.254 428 K C -1.965 174.585 176.600 -0.082 0.000 0.933 428 K CA -0.794 55.433 56.287 -0.100 0.000 0.806 428 K CB 2.384 34.847 32.500 -0.061 0.000 1.301 428 K HN 0.134 nan 8.250 nan 0.000 0.432 429 A N 2.018 124.792 122.820 -0.076 0.000 2.398 429 A HA 0.713 5.026 4.320 -0.013 0.000 0.301 429 A C -0.338 177.226 177.584 -0.033 0.000 1.041 429 A CA -0.094 51.905 52.037 -0.062 0.000 0.711 429 A CB 1.376 20.320 19.000 -0.094 0.000 1.240 429 A HN 1.520 nan 8.150 nan 0.000 0.420 430 A N 3.095 125.903 122.820 -0.020 0.000 2.560 430 A HA -0.096 4.216 4.320 -0.013 0.000 0.299 430 A C 0.560 178.160 177.584 0.028 0.000 1.484 430 A CA 1.299 53.336 52.037 0.001 0.000 0.749 430 A CB -2.144 16.851 19.000 -0.007 0.000 1.072 430 A HN 1.700 nan 8.150 nan 0.000 0.426 431 D N -2.357 118.058 120.400 0.026 0.000 3.059 431 D HA -0.163 4.469 4.640 -0.013 0.000 0.220 431 D C 0.181 176.517 176.300 0.061 0.000 1.169 431 D CA 1.877 55.903 54.000 0.043 0.000 0.902 431 D CB -1.670 39.164 40.800 0.056 0.000 1.116 431 D HN 0.869 nan 8.370 nan 0.000 0.417 432 T N 0.098 114.679 114.554 0.046 0.000 2.848 432 T HA 0.564 4.906 4.350 -0.013 0.000 0.285 432 T C 0.118 174.811 174.700 -0.011 0.000 0.995 432 T CA -0.124 62.013 62.100 0.062 0.000 0.970 432 T CB 2.024 70.949 68.868 0.095 0.000 0.976 432 T HN 0.266 nan 8.240 nan 0.000 0.441 433 A N 2.929 125.738 122.820 -0.018 0.000 2.546 433 A HA 0.416 4.728 4.320 -0.013 0.000 0.243 433 A C 0.363 177.803 177.584 -0.240 0.000 1.063 433 A CA -0.198 51.782 52.037 -0.095 0.000 0.757 433 A CB -0.076 18.908 19.000 -0.026 0.000 0.991 433 A HN 0.703 nan 8.150 nan 0.000 0.503 434 V N 3.173 122.919 119.914 -0.281 0.000 2.432 434 V HA 0.638 4.750 4.120 -0.013 0.000 0.271 434 V C 0.951 176.686 176.094 -0.599 0.000 1.046 434 V CA 0.994 62.994 62.300 -0.500 0.000 0.945 434 V CB 0.382 31.815 31.823 -0.650 0.000 0.992 434 V HN 1.404 nan 8.190 nan 0.000 0.471 435 G N 4.063 112.545 108.800 -0.529 0.000 2.428 435 G HA2 0.247 4.199 3.960 -0.013 0.000 0.304 435 G HA3 0.247 4.199 3.960 -0.013 0.000 0.304 435 G C -0.098 174.719 174.900 -0.137 0.000 1.303 435 G CA -0.103 44.838 45.100 -0.265 0.000 0.825 435 G HN 0.651 nan 8.290 nan 0.000 0.484 436 W N -0.372 120.989 121.300 0.101 0.000 2.678 436 W HA 0.295 4.947 4.660 -0.013 0.000 0.256 436 W C 1.640 178.184 176.519 0.041 0.000 1.280 436 W CA 1.097 58.527 57.345 0.142 0.000 1.345 436 W CB -1.038 28.554 29.460 0.220 0.000 1.118 436 W HN 0.643 nan 8.180 nan 0.000 0.629 437 A N 2.403 124.840 122.820 -0.637 0.000 1.892 437 A HA -0.235 4.077 4.320 -0.013 0.000 0.218 437 A C 2.136 179.616 177.584 -0.174 0.000 1.188 437 A CA 2.393 54.141 52.037 -0.482 0.000 0.631 437 A CB -1.048 17.616 19.000 -0.561 0.000 0.822 437 A HN 0.282 nan 8.150 nan 0.000 0.447 438 L N 0.060 121.082 121.223 -0.335 0.000 2.017 438 L HA -0.001 4.331 4.340 -0.013 0.000 0.208 438 L C 2.415 179.019 176.870 -0.445 0.000 1.073 438 L CA 2.536 56.992 54.840 -0.639 0.000 0.745 438 L CB -1.256 40.420 42.059 -0.638 0.000 0.894 438 L HN 0.293 nan 8.230 nan 0.000 0.432 439 G N -1.779 106.897 108.800 -0.206 0.000 2.442 439 G HA2 -0.382 3.571 3.960 -0.013 0.000 0.219 439 G HA3 -0.382 3.571 3.960 -0.013 0.000 0.219 439 G C 1.574 176.270 174.900 -0.339 0.000 1.141 439 G CA 1.025 46.073 45.100 -0.086 0.000 0.763 439 G HN 0.522 nan 8.290 nan 0.000 0.554 440 Y N 0.539 120.480 120.300 -0.598 0.000 2.145 440 Y HA -0.052 4.490 4.550 -0.013 0.000 0.286 440 Y C 2.802 178.259 175.900 -0.740 0.000 1.145 440 Y CA 1.916 59.404 58.100 -1.020 0.000 1.148 440 Y CB -0.217 38.055 38.460 -0.313 0.000 0.981 440 Y HN 0.175 nan 8.280 nan 0.000 0.507 441 M N -0.752 118.570 119.600 -0.462 0.000 2.117 441 M HA -0.211 4.261 4.480 -0.013 0.000 0.262 441 M C 2.032 178.021 176.300 -0.519 0.000 1.065 441 M CA 1.695 56.691 55.300 -0.507 0.000 1.114 441 M CB -0.361 32.102 32.600 -0.228 0.000 1.361 441 M HN 0.407 nan 8.290 nan 0.000 0.408 442 L N 0.051 120.956 121.223 -0.530 0.000 2.042 442 L HA -0.289 4.043 4.340 -0.013 0.000 0.210 442 L C 2.502 179.138 176.870 -0.389 0.000 1.076 442 L CA 1.487 56.030 54.840 -0.495 0.000 0.749 442 L CB -1.197 40.539 42.059 -0.538 0.000 0.893 442 L HN 0.487 nan 8.230 nan 0.000 0.432 443 N N 0.961 119.417 118.700 -0.407 0.000 2.080 443 N HA -0.165 4.567 4.740 -0.013 0.000 0.189 443 N C 1.911 177.215 175.510 -0.345 0.000 1.036 443 N CA 1.528 54.397 53.050 -0.302 0.000 0.846 443 N CB -0.044 38.304 38.487 -0.232 0.000 1.015 443 N HN 0.296 nan 8.380 nan 0.000 0.423 444 L N 0.465 121.352 121.223 -0.559 0.000 2.291 444 L HA -0.046 4.286 4.340 -0.013 0.000 0.214 444 L C 1.924 178.668 176.870 -0.210 0.000 1.120 444 L CA 1.400 55.947 54.840 -0.488 0.000 0.799 444 L CB -0.464 41.029 42.059 -0.944 0.000 0.925 444 L HN 0.338 nan 8.230 nan 0.000 0.446 445 T N -4.794 109.640 114.554 -0.199 0.000 3.086 445 T HA 0.063 4.406 4.350 -0.013 0.000 0.250 445 T C 0.874 175.522 174.700 -0.087 0.000 1.074 445 T CA -0.068 62.005 62.100 -0.044 0.000 0.988 445 T CB -0.216 68.645 68.868 -0.012 0.000 0.988 445 T HN 0.254 nan 8.240 nan 0.000 0.530 446 N N 0.340 118.957 118.700 -0.138 0.000 2.740 446 N HA -0.132 4.600 4.740 -0.013 0.000 0.248 446 N C 0.273 175.703 175.510 -0.133 0.000 1.062 446 N CA 0.371 53.350 53.050 -0.119 0.000 0.704 446 N CB -1.895 36.552 38.487 -0.067 0.000 0.968 446 N HN 0.622 nan 8.380 nan 0.000 0.547 447 L N -0.816 120.284 121.223 -0.204 0.000 2.529 447 L HA 0.262 4.594 4.340 -0.013 0.000 0.223 447 L C 0.697 177.472 176.870 -0.158 0.000 1.113 447 L CA 0.383 55.092 54.840 -0.219 0.000 0.861 447 L CB 0.096 41.915 42.059 -0.400 0.000 1.012 447 L HN 0.252 nan 8.230 nan 0.000 0.461 448 I N 2.330 122.784 120.570 -0.194 0.000 2.312 448 I HA 0.238 4.400 4.170 -0.013 0.000 0.290 448 I C -2.004 173.922 176.117 -0.318 0.000 1.008 448 I CA -1.869 59.266 61.300 -0.275 0.000 1.226 448 I CB 1.308 39.113 38.000 -0.326 0.000 1.371 448 I HN -0.143 nan 8.210 nan 0.000 0.468 449 P HA 0.159 nan 4.420 nan 0.000 0.275 449 P C 0.375 177.506 177.300 -0.281 0.000 1.227 449 P CA -0.302 62.663 63.100 -0.224 0.000 0.781 449 P CB 1.686 33.315 31.700 -0.118 0.000 0.906 450 A N 2.962 125.686 122.820 -0.161 0.000 1.930 450 A HA -0.050 4.262 4.320 -0.013 0.000 0.217 450 A C 0.795 178.340 177.584 -0.066 0.000 1.175 450 A CA 1.314 53.280 52.037 -0.119 0.000 0.627 450 A CB -0.337 18.620 19.000 -0.071 0.000 0.815 450 A HN 0.582 nan 8.150 nan 0.000 0.443 451 D N -1.397 118.981 120.400 -0.037 0.000 2.527 451 D HA 0.506 5.138 4.640 -0.013 0.000 0.233 451 D C -0.726 175.597 176.300 0.039 0.000 1.063 451 D CA -0.473 53.541 54.000 0.023 0.000 0.880 451 D CB 1.610 42.430 40.800 0.034 0.000 1.457 451 D HN 0.106 nan 8.370 nan 0.000 0.475 452 L N 1.548 122.818 121.223 0.078 0.000 2.473 452 L HA 0.190 4.522 4.340 -0.013 0.000 0.268 452 L C -1.995 174.893 176.870 0.031 0.000 1.215 452 L CA -1.343 53.539 54.840 0.071 0.000 0.823 452 L CB -0.273 41.817 42.059 0.052 0.000 1.099 452 L HN 0.086 nan 8.230 nan 0.000 0.483 453 P HA 0.019 nan 4.420 nan 0.000 0.264 453 P C 0.626 177.922 177.300 -0.006 0.000 1.193 453 P CA 0.498 63.606 63.100 0.012 0.000 0.763 453 P CB 0.558 32.268 31.700 0.016 0.000 0.810 454 G N 3.155 111.952 108.800 -0.005 0.000 2.269 454 G HA2 -0.320 3.632 3.960 -0.013 0.000 0.277 454 G HA3 -0.320 3.632 3.960 -0.013 0.000 0.277 454 G C 0.595 175.474 174.900 -0.035 0.000 1.008 454 G CA 0.331 45.420 45.100 -0.017 0.000 0.774 454 G HN 0.665 nan 8.290 nan 0.000 0.511 455 L N -2.740 118.474 121.223 -0.015 0.000 3.976 455 L HA -0.279 4.053 4.340 -0.013 0.000 0.418 455 L C 1.355 178.146 176.870 -0.130 0.000 1.177 455 L CA 1.265 56.096 54.840 -0.016 0.000 0.968 455 L CB -1.358 40.726 42.059 0.042 0.000 1.933 455 L HN 0.752 nan 8.230 nan 0.000 0.976 456 R N 0.352 120.774 120.500 -0.131 0.000 3.416 456 R HA -0.231 4.101 4.340 -0.013 0.000 0.263 456 R C 0.866 177.038 176.300 -0.214 0.000 1.053 456 R CA 1.368 57.353 56.100 -0.192 0.000 0.705 456 R CB -0.882 29.209 30.300 -0.349 0.000 1.124 456 R HN 0.581 nan 8.270 nan 0.000 0.444 457 K N -2.740 117.554 120.400 -0.178 0.000 3.193 457 K HA -0.266 4.046 4.320 -0.013 0.000 0.294 457 K C 0.740 177.139 176.600 -0.335 0.000 1.185 457 K CA 1.089 57.264 56.287 -0.186 0.000 0.866 457 K CB -1.639 30.789 32.500 -0.119 0.000 1.227 457 K HN 0.927 nan 8.250 nan 0.000 0.467 458 G N -0.174 108.294 108.800 -0.552 0.000 2.162 458 G HA2 -0.393 3.559 3.960 -0.013 0.000 0.260 458 G HA3 -0.393 3.559 3.960 -0.013 0.000 0.260 458 G C 0.732 175.163 174.900 -0.781 0.000 0.976 458 G CA 1.358 45.722 45.100 -1.228 0.000 0.655 458 G HN 0.643 nan 8.290 nan 0.000 0.533 459 T N -3.209 111.121 114.554 -0.373 0.000 3.051 459 T HA 0.007 4.349 4.350 -0.013 0.000 0.269 459 T C 1.494 176.190 174.700 -0.007 0.000 1.127 459 T CA 1.703 63.737 62.100 -0.109 0.000 1.107 459 T CB -0.392 68.476 68.868 -0.001 0.000 0.898 459 T HN 0.675 nan 8.240 nan 0.000 0.517 460 H N -0.579 118.372 119.070 -0.198 0.000 2.529 460 H HA 0.321 4.869 4.556 -0.014 0.000 0.277 460 H C 0.054 175.393 175.328 0.019 0.000 1.004 460 H CA -1.063 54.830 56.048 -0.259 0.000 1.167 460 H CB 0.129 29.741 29.762 -0.250 0.000 1.445 460 H HN 0.221 nan 8.280 nan 0.000 0.554 461 F N 0.000 119.941 119.950 -0.016 0.000 2.286 461 F HA 0.000 4.523 4.527 -0.007 0.000 0.279 461 F CA 0.000 57.987 58.000 -0.022 0.000 1.383 461 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574