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 3aar_1_A DATA FIRST_RESID 42 DATA SEQUENCE HSCIAVIDAG STGSRLHIYS YDTDDTNTPI HIEEIWNKKI KPGFASIQPN DATA SEQUENCE SVTIDAYLTM LLADAPIHNI PVYFYATAGM RLLPQSQQKK YYDELEYWFR DATA SEQUENCE QQSQWQLVEA KTITGNDEAL FDWLAVNYKL DTLKSVQNKS VGVMDMGGAS DATA SEQUENCE VQIVFPMPKN AEISKHNQVE LNIYGQNINL YVHSFLGLGQ TEMSHQFLNS DATA SEQUENCE PScFANDYPL PDGESGQGNA PScKEEVTSL MNSVHKVNQQ IQPLLALNPV DATA SEQUENCE NEWYSIGGIS NLASSQLFHF ENSELTNQSL LQQGDNQIcH QQWDILNGQY DATA SEQUENCE PDDEYLYQYc LLSSYYYALM VDGYGINPNQ TIHYIPPEQN LDWTIGVVLH DATA SEQUENCE RA 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 42 H HA 0.000 nan 4.556 nan 0.000 0.296 42 H C 0.000 175.202 175.328 -0.210 0.000 0.993 42 H CA 0.000 55.977 56.048 -0.119 0.000 1.023 42 H CB 0.000 29.723 29.762 -0.065 0.000 1.292 43 S N 1.379 116.888 115.700 -0.318 0.000 2.652 43 S HA 0.589 5.059 4.470 -0.001 0.000 0.270 43 S C 0.480 174.836 174.600 -0.407 0.000 1.243 43 S CA -0.481 57.431 58.200 -0.481 0.000 0.999 43 S CB 0.924 63.608 63.200 -0.860 0.000 0.973 43 S HN 0.690 nan 8.310 nan 0.000 0.544 44 C N 1.205 120.440 119.300 -0.109 0.000 2.797 44 C HA 0.895 5.355 4.460 -0.001 0.000 0.306 44 C C -0.586 174.557 174.990 0.256 0.000 1.207 44 C CA -0.902 58.180 59.018 0.106 0.000 1.507 44 C CB -0.225 27.554 27.740 0.065 0.000 2.028 44 C HN 0.953 nan 8.230 nan 0.000 0.475 45 I N 1.602 122.379 120.570 0.344 0.000 2.827 45 I HA 0.697 4.866 4.170 -0.001 0.000 0.298 45 I C -0.627 175.677 176.117 0.311 0.000 1.235 45 I CA -0.445 61.049 61.300 0.323 0.000 1.021 45 I CB 2.149 40.339 38.000 0.317 0.000 1.259 45 I HN 1.171 nan 8.210 nan 0.000 0.427 46 A N 6.505 129.506 122.820 0.302 0.000 2.337 46 A HA 0.820 5.140 4.320 -0.001 0.000 0.329 46 A C -1.491 176.219 177.584 0.210 0.000 1.146 46 A CA -0.459 51.753 52.037 0.292 0.000 0.800 46 A CB 1.620 20.874 19.000 0.423 0.000 1.220 46 A HN 0.424 nan 8.150 nan 0.000 0.472 47 V N 3.384 123.380 119.914 0.137 0.000 2.525 47 V HA 0.382 4.501 4.120 -0.001 0.000 0.299 47 V C -0.590 175.491 176.094 -0.023 0.000 1.034 47 V CA -0.143 62.151 62.300 -0.010 0.000 0.863 47 V CB 1.452 33.191 31.823 -0.141 0.000 0.999 47 V HN 0.761 nan 8.190 nan 0.000 0.423 48 I N 3.661 124.167 120.570 -0.107 0.000 2.321 48 I HA 0.351 4.520 4.170 -0.001 0.000 0.291 48 I C -0.372 175.625 176.117 -0.199 0.000 0.998 48 I CA -0.257 60.942 61.300 -0.170 0.000 1.227 48 I CB 1.540 39.377 38.000 -0.271 0.000 1.368 48 I HN 0.581 nan 8.210 nan 0.000 0.466 49 D N 6.945 127.300 120.400 -0.076 0.000 2.411 49 D HA 0.314 4.953 4.640 -0.001 0.000 0.225 49 D C -0.154 176.168 176.300 0.037 0.000 1.156 49 D CA -0.311 53.759 54.000 0.116 0.000 0.874 49 D CB 1.235 42.139 40.800 0.173 0.000 1.034 49 D HN 0.556 nan 8.370 nan 0.000 0.502 50 A N 3.840 126.619 122.820 -0.069 0.000 2.798 50 A HA 0.620 4.940 4.320 -0.001 0.000 0.316 50 A C 0.759 178.413 177.584 0.117 0.000 1.506 50 A CA -0.270 51.718 52.037 -0.082 0.000 1.162 50 A CB 0.011 18.803 19.000 -0.347 0.000 1.138 50 A HN 0.556 nan 8.150 nan 0.000 0.532 51 G N 0.031 108.926 108.800 0.157 0.000 2.568 51 G HA2 0.413 4.373 3.960 -0.001 0.000 0.293 51 G HA3 0.413 4.373 3.960 -0.001 0.000 0.293 51 G C 0.972 175.959 174.900 0.145 0.000 1.347 51 G CA 0.309 45.508 45.100 0.166 0.000 1.039 51 G HN 0.445 nan 8.290 nan 0.000 0.523 52 S N -0.772 115.004 115.700 0.125 0.000 2.355 52 S HA -0.136 4.334 4.470 -0.001 0.000 0.222 52 S C 2.541 177.210 174.600 0.115 0.000 1.031 52 S CA 1.985 60.249 58.200 0.107 0.000 0.993 52 S CB -0.378 62.878 63.200 0.094 0.000 0.859 52 S HN 0.856 nan 8.310 nan 0.000 0.453 53 T N -1.378 113.250 114.554 0.122 0.000 3.081 53 T HA 0.513 4.862 4.350 -0.001 0.000 0.250 53 T C 0.658 175.437 174.700 0.132 0.000 1.100 53 T CA 0.472 62.644 62.100 0.120 0.000 1.038 53 T CB 0.367 69.304 68.868 0.115 0.000 0.962 53 T HN 0.482 nan 8.240 nan 0.000 0.516 54 G N -0.247 108.644 108.800 0.151 0.000 2.316 54 G HA2 0.453 4.412 3.960 -0.001 0.000 0.296 54 G HA3 0.453 4.412 3.960 -0.001 0.000 0.296 54 G C -1.698 173.299 174.900 0.161 0.000 1.399 54 G CA -0.837 44.362 45.100 0.166 0.000 0.833 54 G HN 0.163 nan 8.290 nan 0.000 0.565 55 S N -0.480 115.303 115.700 0.138 0.000 2.454 55 S HA 0.720 5.189 4.470 -0.001 0.000 0.306 55 S C -0.088 174.485 174.600 -0.045 0.000 1.100 55 S CA -0.650 57.587 58.200 0.061 0.000 1.087 55 S CB 1.785 65.050 63.200 0.108 0.000 1.019 55 S HN 0.673 nan 8.310 nan 0.000 0.480 56 R N 2.535 122.994 120.500 -0.069 0.000 2.439 56 R HA 0.486 4.826 4.340 -0.001 0.000 0.310 56 R C -1.362 174.788 176.300 -0.251 0.000 0.955 56 R CA -0.764 55.223 56.100 -0.189 0.000 0.853 56 R CB 0.687 30.873 30.300 -0.190 0.000 1.171 56 R HN 0.543 nan 8.270 nan 0.000 0.449 57 L N 4.143 125.198 121.223 -0.280 0.000 2.305 57 L HA 0.374 4.713 4.340 -0.001 0.000 0.281 57 L C -1.324 175.350 176.870 -0.326 0.000 1.085 57 L CA 0.048 54.779 54.840 -0.181 0.000 0.813 57 L CB 0.910 42.943 42.059 -0.044 0.000 1.157 57 L HN 0.669 nan 8.230 nan 0.000 0.436 58 H N 5.116 124.114 119.070 -0.121 0.000 2.547 58 H HA 0.583 5.138 4.556 -0.001 0.000 0.342 58 H C -0.798 174.408 175.328 -0.204 0.000 1.048 58 H CA -0.392 55.494 56.048 -0.270 0.000 1.204 58 H CB 1.495 31.003 29.762 -0.423 0.000 1.493 58 H HN 0.553 nan 8.280 nan 0.000 0.511 59 I N 3.948 124.472 120.570 -0.077 0.000 2.362 59 I HA 0.242 4.411 4.170 -0.001 0.000 0.289 59 I C -0.935 175.108 176.117 -0.123 0.000 0.994 59 I CA -0.677 60.648 61.300 0.040 0.000 1.158 59 I CB 0.848 38.969 38.000 0.201 0.000 1.315 59 I HN 0.483 nan 8.210 nan 0.000 0.451 60 Y N 3.649 124.038 120.300 0.149 0.000 2.393 60 Y HA 0.421 4.970 4.550 -0.001 0.000 0.341 60 Y C 0.544 176.547 175.900 0.172 0.000 0.988 60 Y CA -0.696 57.481 58.100 0.130 0.000 1.078 60 Y CB 2.159 40.667 38.460 0.080 0.000 1.203 60 Y HN 0.547 nan 8.280 nan 0.000 0.453 61 S N 2.779 118.652 115.700 0.289 0.000 2.651 61 S HA 0.865 5.334 4.470 -0.001 0.000 0.291 61 S C -1.262 173.516 174.600 0.298 0.000 1.141 61 S CA -0.549 57.756 58.200 0.175 0.000 1.027 61 S CB 1.389 64.567 63.200 -0.037 0.000 1.043 61 S HN 0.682 nan 8.310 nan 0.000 0.530 62 Y N -1.841 118.554 120.300 0.158 0.000 2.677 62 Y HA 0.690 5.239 4.550 -0.001 0.000 0.334 62 Y C -1.608 174.455 175.900 0.271 0.000 1.196 62 Y CA -1.209 57.005 58.100 0.190 0.000 1.059 62 Y CB 0.432 38.939 38.460 0.078 0.000 1.315 62 Y HN 0.509 nan 8.280 nan 0.000 0.455 63 D N 0.462 121.079 120.400 0.361 0.000 2.442 63 D HA 0.588 5.227 4.640 -0.001 0.000 0.254 63 D C -0.999 175.458 176.300 0.262 0.000 1.069 63 D CA -0.434 53.693 54.000 0.211 0.000 1.017 63 D CB 2.140 43.075 40.800 0.224 0.000 1.172 63 D HN 0.634 nan 8.370 nan 0.000 0.561 64 T N 0.554 115.203 114.554 0.159 0.000 2.848 64 T HA 0.350 4.699 4.350 -0.001 0.000 0.285 64 T C -0.338 174.416 174.700 0.090 0.000 0.995 64 T CA -0.881 61.311 62.100 0.154 0.000 0.970 64 T CB 1.506 70.466 68.868 0.154 0.000 0.976 64 T HN 0.353 nan 8.240 nan 0.000 0.441 65 D N 1.014 121.469 120.400 0.092 0.000 2.511 65 D HA 0.152 4.792 4.640 -0.001 0.000 0.276 65 D C 0.771 177.113 176.300 0.070 0.000 1.220 65 D CA -0.638 53.409 54.000 0.078 0.000 1.077 65 D CB 0.403 41.264 40.800 0.102 0.000 1.126 65 D HN 0.461 nan 8.370 nan 0.000 0.583 66 D N -2.384 118.053 120.400 0.062 0.000 2.352 66 D HA -0.087 4.552 4.640 -0.001 0.000 0.232 66 D C 1.173 177.504 176.300 0.053 0.000 1.055 66 D CA 0.653 54.683 54.000 0.049 0.000 0.891 66 D CB -0.802 40.020 40.800 0.038 0.000 0.897 66 D HN 0.415 nan 8.370 nan 0.000 0.529 67 T N -3.971 110.627 114.554 0.073 0.000 3.105 67 T HA 0.092 4.441 4.350 -0.001 0.000 0.253 67 T C 0.742 175.460 174.700 0.030 0.000 1.047 67 T CA -0.264 61.874 62.100 0.062 0.000 0.944 67 T CB -0.443 68.487 68.868 0.103 0.000 1.016 67 T HN 0.022 nan 8.240 nan 0.000 0.544 68 N N 0.813 119.533 118.700 0.032 0.000 2.780 68 N HA -0.134 4.606 4.740 -0.001 0.000 0.248 68 N C -1.102 174.396 175.510 -0.020 0.000 1.102 68 N CA 1.053 54.112 53.050 0.016 0.000 0.697 68 N CB -1.689 36.801 38.487 0.006 0.000 1.028 68 N HN 0.635 nan 8.380 nan 0.000 0.554 69 T N 0.903 115.442 114.554 -0.025 0.000 2.807 69 T HA 0.506 4.855 4.350 -0.001 0.000 0.279 69 T C -2.610 172.065 174.700 -0.041 0.000 0.993 69 T CA -1.175 60.837 62.100 -0.146 0.000 0.970 69 T CB 2.306 70.909 68.868 -0.442 0.000 0.950 69 T HN -0.086 nan 8.240 nan 0.000 0.441 70 P HA 0.255 nan 4.420 nan 0.000 0.265 70 P C -0.526 176.855 177.300 0.135 0.000 1.193 70 P CA -0.163 62.936 63.100 -0.003 0.000 0.765 70 P CB 0.234 31.736 31.700 -0.329 0.000 0.823 71 I N -1.919 118.759 120.570 0.179 0.000 3.145 71 I HA 0.527 4.696 4.170 -0.001 0.000 0.313 71 I C -0.419 175.787 176.117 0.149 0.000 1.122 71 I CA -1.275 60.099 61.300 0.123 0.000 0.987 71 I CB 1.563 39.455 38.000 -0.181 0.000 1.236 71 I HN 0.443 nan 8.210 nan 0.000 0.453 72 H N 0.735 119.983 119.070 0.297 0.000 2.713 72 H HA -0.098 4.457 4.556 -0.001 0.000 0.311 72 H C -0.630 174.850 175.328 0.252 0.000 1.175 72 H CA 0.272 56.470 56.048 0.250 0.000 1.143 72 H CB -1.605 28.294 29.762 0.229 0.000 1.434 72 H HN 0.412 nan 8.280 nan 0.000 0.418 73 I N 1.930 122.712 120.570 0.353 0.000 2.517 73 I HA 0.033 4.202 4.170 -0.001 0.000 0.285 73 I C 0.516 176.775 176.117 0.238 0.000 1.106 73 I CA 0.605 62.023 61.300 0.197 0.000 1.402 73 I CB 0.498 38.398 38.000 -0.166 0.000 1.399 73 I HN 0.216 nan 8.210 nan 0.000 0.535 74 E N 6.307 126.661 120.200 0.257 0.000 2.234 74 E HA 0.224 4.573 4.350 -0.001 0.000 0.266 74 E C -0.866 175.895 176.600 0.268 0.000 0.877 74 E CA -0.688 55.845 56.400 0.222 0.000 0.758 74 E CB 2.222 31.991 29.700 0.115 0.000 1.170 74 E HN 0.500 nan 8.360 nan 0.000 0.415 75 E N 3.520 123.845 120.200 0.208 0.000 2.217 75 E HA 0.110 4.459 4.350 -0.001 0.000 0.279 75 E C 0.884 177.489 176.600 0.008 0.000 1.068 75 E CA -0.045 56.344 56.400 -0.018 0.000 0.882 75 E CB 0.311 29.946 29.700 -0.108 0.000 1.039 75 E HN 0.576 nan 8.360 nan 0.000 0.418 76 I N 1.936 122.520 120.570 0.022 0.000 3.968 76 I HA 0.434 4.603 4.170 -0.001 0.000 0.328 76 I C -0.261 175.979 176.117 0.206 0.000 1.290 76 I CA -0.425 60.929 61.300 0.089 0.000 1.163 76 I CB 0.299 38.347 38.000 0.080 0.000 1.024 76 I HN 0.416 nan 8.210 nan 0.000 0.413 77 W N 2.821 124.067 121.300 -0.090 0.000 3.645 77 W HA 0.399 5.058 4.660 -0.001 0.000 0.285 77 W C -1.990 174.449 176.519 -0.133 0.000 1.266 77 W CA -0.762 56.537 57.345 -0.076 0.000 1.212 77 W CB 1.056 30.499 29.460 -0.028 0.000 1.306 77 W HN 0.185 nan 8.180 nan 0.000 0.552 78 N N 3.207 121.580 118.700 -0.544 0.000 2.525 78 N HA 0.729 5.468 4.740 -0.001 0.000 0.270 78 N C -1.950 173.040 175.510 -0.868 0.000 1.321 78 N CA -0.836 51.877 53.050 -0.562 0.000 0.797 78 N CB 2.528 40.723 38.487 -0.487 0.000 1.529 78 N HN 0.291 nan 8.380 nan 0.000 0.491 79 K N 0.317 120.373 120.400 -0.574 0.000 2.561 79 K HA 0.377 4.696 4.320 -0.001 0.000 0.254 79 K C -1.960 174.458 176.600 -0.303 0.000 0.942 79 K CA -0.508 55.497 56.287 -0.469 0.000 0.818 79 K CB 1.584 33.872 32.500 -0.353 0.000 1.306 79 K HN 0.629 nan 8.250 nan 0.000 0.435 80 K N 5.087 125.344 120.400 -0.238 0.000 2.244 80 K HA 0.642 4.961 4.320 -0.001 0.000 0.260 80 K C -0.898 175.624 176.600 -0.129 0.000 0.951 80 K CA -0.732 55.458 56.287 -0.162 0.000 0.826 80 K CB 0.694 33.122 32.500 -0.121 0.000 1.108 80 K HN 0.663 nan 8.250 nan 0.000 0.433 81 I N -0.700 119.796 120.570 -0.123 0.000 2.785 81 I HA 0.597 4.766 4.170 -0.001 0.000 0.302 81 I C -1.029 175.071 176.117 -0.028 0.000 1.069 81 I CA -0.906 60.319 61.300 -0.124 0.000 1.045 81 I CB 2.306 40.142 38.000 -0.273 0.000 1.236 81 I HN 0.448 nan 8.210 nan 0.000 0.429 82 K N 3.695 124.109 120.400 0.023 0.000 2.295 82 K HA 0.650 4.969 4.320 -0.001 0.000 0.239 82 K C -2.449 174.271 176.600 0.201 0.000 0.991 82 K CA -1.507 54.852 56.287 0.119 0.000 0.845 82 K CB 1.810 34.362 32.500 0.086 0.000 1.197 82 K HN 0.523 nan 8.250 nan 0.000 0.441 83 P HA 0.150 nan 4.420 nan 0.000 0.328 83 P C -0.256 177.212 177.300 0.280 0.000 1.305 83 P CA -0.458 62.766 63.100 0.206 0.000 0.745 83 P CB 0.003 31.789 31.700 0.143 0.000 1.462 84 G N -1.074 107.838 108.800 0.188 0.000 2.491 84 G HA2 0.028 3.987 3.960 -0.001 0.000 0.242 84 G HA3 0.028 3.987 3.960 -0.001 0.000 0.242 84 G C 0.391 175.368 174.900 0.128 0.000 1.266 84 G CA -0.380 44.831 45.100 0.185 0.000 0.844 84 G HN 0.364 nan 8.290 nan 0.000 0.571 85 F N 2.780 122.697 119.950 -0.055 0.000 2.120 85 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 85 F C 2.560 178.154 175.800 -0.343 0.000 1.095 85 F CA 1.906 59.733 58.000 -0.288 0.000 1.249 85 F CB -0.176 38.776 39.000 -0.080 0.000 0.995 85 F HN 0.433 nan 8.300 nan 0.000 0.480 86 A N -1.039 121.606 122.820 -0.293 0.000 2.216 86 A HA -0.042 4.277 4.320 -0.001 0.000 0.214 86 A C 2.088 179.544 177.584 -0.214 0.000 1.160 86 A CA 1.332 53.083 52.037 -0.478 0.000 0.725 86 A CB -1.062 17.796 19.000 -0.236 0.000 0.784 86 A HN 0.456 nan 8.150 nan 0.000 0.472 87 S N -0.538 115.094 115.700 -0.114 0.000 2.540 87 S HA 0.286 4.755 4.470 -0.001 0.000 0.218 87 S C 0.654 175.243 174.600 -0.019 0.000 0.977 87 S CA -0.062 58.122 58.200 -0.026 0.000 0.918 87 S CB -0.732 62.475 63.200 0.012 0.000 0.806 87 S HN 0.637 nan 8.310 nan 0.000 0.496 88 I N -0.458 120.076 120.570 -0.061 0.000 2.677 88 I HA 0.460 4.629 4.170 -0.001 0.000 0.305 88 I C 0.002 176.078 176.117 -0.067 0.000 0.988 88 I CA -1.033 60.227 61.300 -0.067 0.000 1.260 88 I CB 0.985 38.891 38.000 -0.157 0.000 1.410 88 I HN 0.016 nan 8.210 nan 0.000 0.523 89 Q N 5.040 124.781 119.800 -0.097 0.000 2.255 89 Q HA 0.205 4.545 4.340 -0.001 0.000 0.280 89 Q C -2.092 173.732 176.000 -0.292 0.000 1.068 89 Q CA -1.521 54.188 55.803 -0.158 0.000 0.911 89 Q CB 0.658 29.337 28.738 -0.099 0.000 1.157 89 Q HN 0.446 nan 8.270 nan 0.000 0.380 90 P HA 0.065 nan 4.420 nan 0.000 0.220 90 P C -1.573 175.496 177.300 -0.385 0.000 1.806 90 P CA -0.088 62.564 63.100 -0.747 0.000 0.976 90 P CB -0.375 30.573 31.700 -1.254 0.000 1.952 91 N N -1.750 116.812 118.700 -0.230 0.000 2.545 91 N HA 0.216 4.956 4.740 -0.001 0.000 0.289 91 N C 0.754 176.226 175.510 -0.063 0.000 1.279 91 N CA -0.963 52.008 53.050 -0.132 0.000 0.824 91 N CB 0.247 38.675 38.487 -0.098 0.000 1.395 91 N HN -0.290 nan 8.380 nan 0.000 0.526 92 S N -0.453 115.232 115.700 -0.025 0.000 2.359 92 S HA -0.105 4.365 4.470 -0.001 0.000 0.224 92 S C 1.758 176.406 174.600 0.080 0.000 1.035 92 S CA 1.279 59.507 58.200 0.047 0.000 1.018 92 S CB -0.442 62.779 63.200 0.034 0.000 0.876 92 S HN 0.425 nan 8.310 nan 0.000 0.448 93 V N 1.846 121.789 119.914 0.048 0.000 2.295 93 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 93 V C 2.568 178.699 176.094 0.063 0.000 1.049 93 V CA 2.224 64.561 62.300 0.062 0.000 1.024 93 V CB -1.382 30.463 31.823 0.037 0.000 0.648 93 V HN 0.520 nan 8.190 nan 0.000 0.447 94 T N 0.261 114.833 114.554 0.030 0.000 2.777 94 T HA -0.080 4.269 4.350 -0.001 0.000 0.266 94 T C 1.907 176.643 174.700 0.060 0.000 1.040 94 T CA 1.307 63.427 62.100 0.033 0.000 1.141 94 T CB -0.206 68.651 68.868 -0.018 0.000 0.868 94 T HN 0.167 nan 8.240 nan 0.000 0.444 95 I N 1.871 122.460 120.570 0.032 0.000 2.226 95 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 95 I C 2.400 178.492 176.117 -0.041 0.000 1.100 95 I CA 1.407 62.733 61.300 0.042 0.000 1.374 95 I CB -1.203 36.823 38.000 0.044 0.000 1.057 95 I HN 0.303 nan 8.210 nan 0.000 0.413 96 D N 0.986 121.412 120.400 0.043 0.000 2.097 96 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 96 D C 2.206 178.552 176.300 0.077 0.000 0.989 96 D CA 1.645 55.713 54.000 0.112 0.000 0.827 96 D CB 0.140 41.143 40.800 0.338 0.000 0.966 96 D HN 0.240 nan 8.370 nan 0.000 0.456 97 A N -0.835 122.046 122.820 0.102 0.000 1.908 97 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 97 A C 2.263 179.896 177.584 0.081 0.000 1.181 97 A CA 1.600 53.696 52.037 0.098 0.000 0.627 97 A CB -1.354 17.707 19.000 0.103 0.000 0.818 97 A HN 0.538 nan 8.150 nan 0.000 0.445 98 Y N 0.267 120.543 120.300 -0.040 0.000 2.133 98 Y HA -0.118 4.431 4.550 -0.001 0.000 0.287 98 Y C 2.078 177.895 175.900 -0.139 0.000 1.134 98 Y CA 1.933 60.014 58.100 -0.032 0.000 1.133 98 Y CB -0.234 38.258 38.460 0.053 0.000 0.987 98 Y HN 0.207 nan 8.280 nan 0.000 0.502 99 L N -1.106 120.005 121.223 -0.186 0.000 2.093 99 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 99 L C 2.293 178.900 176.870 -0.439 0.000 1.085 99 L CA 1.701 56.194 54.840 -0.578 0.000 0.755 99 L CB -0.912 40.258 42.059 -1.483 0.000 0.904 99 L HN 0.211 nan 8.230 nan 0.000 0.435 100 T N -0.355 114.081 114.554 -0.197 0.000 2.708 100 T HA -0.265 4.084 4.350 -0.001 0.000 0.266 100 T C 1.836 176.546 174.700 0.017 0.000 1.037 100 T CA 1.695 63.835 62.100 0.066 0.000 1.146 100 T CB -0.201 68.772 68.868 0.175 0.000 0.865 100 T HN 0.147 nan 8.240 nan 0.000 0.435 101 M N 0.965 120.536 119.600 -0.048 0.000 2.117 101 M HA 0.035 4.515 4.480 -0.001 0.000 0.262 101 M C 1.916 178.167 176.300 -0.081 0.000 1.065 101 M CA 1.270 56.535 55.300 -0.059 0.000 1.114 101 M CB -0.698 31.840 32.600 -0.104 0.000 1.361 101 M HN 0.205 nan 8.290 nan 0.000 0.408 102 L N -0.658 120.456 121.223 -0.182 0.000 2.056 102 L HA -0.047 4.292 4.340 -0.001 0.000 0.207 102 L C 1.786 178.644 176.870 -0.021 0.000 1.078 102 L CA 1.856 56.598 54.840 -0.165 0.000 0.749 102 L CB -0.393 41.505 42.059 -0.269 0.000 0.901 102 L HN 0.413 nan 8.230 nan 0.000 0.433 103 L N -1.646 119.559 121.223 -0.030 0.000 2.515 103 L HA 0.225 4.564 4.340 -0.001 0.000 0.223 103 L C 2.468 179.525 176.870 0.311 0.000 1.079 103 L CA 0.530 55.411 54.840 0.068 0.000 0.857 103 L CB -0.658 41.263 42.059 -0.230 0.000 1.050 103 L HN 0.200 nan 8.230 nan 0.000 0.476 104 A N 0.371 123.329 122.820 0.229 0.000 1.940 104 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 104 A C 1.679 179.364 177.584 0.170 0.000 1.176 104 A CA 2.017 54.186 52.037 0.220 0.000 0.631 104 A CB -0.342 18.754 19.000 0.160 0.000 0.814 104 A HN 0.338 nan 8.150 nan 0.000 0.446 105 D N -0.252 120.259 120.400 0.184 0.000 2.339 105 D HA 0.319 4.958 4.640 -0.001 0.000 0.217 105 D C 0.754 176.910 176.300 -0.239 0.000 1.050 105 D CA 0.676 54.744 54.000 0.114 0.000 0.856 105 D CB -0.198 40.782 40.800 0.299 0.000 0.922 105 D HN 0.437 nan 8.370 nan 0.000 0.518 106 A N 2.222 124.781 122.820 -0.435 0.000 2.540 106 A HA 0.202 4.522 4.320 -0.001 0.000 0.239 106 A C -1.653 175.498 177.584 -0.721 0.000 1.061 106 A CA -0.611 50.769 52.037 -1.095 0.000 0.758 106 A CB 0.228 19.081 19.000 -0.245 0.000 0.991 106 A HN -0.080 nan 8.150 nan 0.000 0.502 107 P HA 0.239 nan 4.420 nan 0.000 0.243 107 P C -0.622 176.492 177.300 -0.310 0.000 1.668 107 P CA 0.110 62.931 63.100 -0.465 0.000 0.898 107 P CB -0.877 30.566 31.700 -0.428 0.000 1.637 108 I N -4.802 115.577 120.570 -0.319 0.000 3.206 108 I HA 0.670 4.839 4.170 -0.001 0.000 0.313 108 I C -0.691 175.287 176.117 -0.232 0.000 1.103 108 I CA -1.280 59.862 61.300 -0.264 0.000 0.985 108 I CB 1.836 39.651 38.000 -0.309 0.000 1.240 108 I HN -0.153 nan 8.210 nan 0.000 0.464 109 H N 2.914 121.793 119.070 -0.319 0.000 3.083 109 H HA 0.348 4.904 4.556 -0.001 0.000 0.339 109 H C -1.317 173.857 175.328 -0.256 0.000 1.020 109 H CA -0.413 55.451 56.048 -0.307 0.000 1.360 109 H CB 1.108 30.747 29.762 -0.204 0.000 1.811 109 H HN 0.857 nan 8.280 nan 0.000 0.493 110 N N 3.041 121.388 118.700 -0.587 0.000 2.688 110 N HA -0.197 4.542 4.740 -0.001 0.000 0.261 110 N C -0.753 174.634 175.510 -0.205 0.000 1.116 110 N CA 0.810 53.633 53.050 -0.378 0.000 0.689 110 N CB -1.301 37.013 38.487 -0.288 0.000 0.882 110 N HN 0.622 nan 8.380 nan 0.000 0.554 111 I N 0.234 120.689 120.570 -0.192 0.000 2.569 111 I HA 0.479 4.649 4.170 -0.001 0.000 0.296 111 I C -2.286 173.874 176.117 0.072 0.000 1.028 111 I CA -2.255 59.019 61.300 -0.043 0.000 1.082 111 I CB 2.446 40.420 38.000 -0.042 0.000 1.264 111 I HN -0.140 nan 8.210 nan 0.000 0.429 112 P HA 0.130 nan 4.420 nan 0.000 0.271 112 P C -1.279 176.114 177.300 0.155 0.000 1.216 112 P CA 0.004 63.157 63.100 0.087 0.000 0.776 112 P CB 1.046 32.802 31.700 0.094 0.000 0.881 113 V N 4.688 124.634 119.914 0.054 0.000 2.709 113 V HA 0.480 4.599 4.120 -0.001 0.000 0.308 113 V C -1.654 174.323 176.094 -0.197 0.000 1.062 113 V CA -0.769 61.577 62.300 0.076 0.000 0.901 113 V CB 1.302 33.245 31.823 0.201 0.000 1.003 113 V HN 0.337 nan 8.190 nan 0.000 0.425 114 Y N 5.551 125.746 120.300 -0.176 0.000 2.335 114 Y HA 0.520 5.069 4.550 -0.001 0.000 0.338 114 Y C -0.458 175.255 175.900 -0.311 0.000 0.977 114 Y CA -0.427 57.451 58.100 -0.370 0.000 1.114 114 Y CB 1.949 39.985 38.460 -0.706 0.000 1.182 114 Y HN 0.670 nan 8.280 nan 0.000 0.463 115 F N 5.028 124.861 119.950 -0.195 0.000 2.332 115 F HA 0.466 4.993 4.527 -0.001 0.000 0.368 115 F C -1.694 174.244 175.800 0.230 0.000 1.110 115 F CA -0.817 57.162 58.000 -0.034 0.000 1.087 115 F CB 0.306 39.277 39.000 -0.048 0.000 1.235 115 F HN 0.340 nan 8.300 nan 0.000 0.470 116 Y N 5.146 125.427 120.300 -0.032 0.000 2.338 116 Y HA 0.614 5.163 4.550 -0.001 0.000 0.328 116 Y C 0.171 176.124 175.900 0.088 0.000 0.965 116 Y CA -1.700 56.502 58.100 0.168 0.000 1.208 116 Y CB 1.104 39.764 38.460 0.333 0.000 1.132 116 Y HN 0.690 nan 8.280 nan 0.000 0.469 117 A N 2.497 125.521 122.820 0.340 0.000 2.293 117 A HA 0.763 5.082 4.320 -0.001 0.000 0.302 117 A C 0.630 178.319 177.584 0.174 0.000 1.119 117 A CA 0.101 52.291 52.037 0.255 0.000 0.823 117 A CB 0.552 19.802 19.000 0.418 0.000 1.097 117 A HN 0.729 nan 8.150 nan 0.000 0.491 118 T N -1.860 112.762 114.554 0.114 0.000 2.675 118 T HA 0.587 4.936 4.350 -0.001 0.000 0.241 118 T C 1.571 176.288 174.700 0.028 0.000 0.949 118 T CA 0.358 62.464 62.100 0.010 0.000 1.077 118 T CB 0.009 68.836 68.868 -0.069 0.000 1.797 118 T HN 1.265 nan 8.240 nan 0.000 0.551 119 A N 0.455 123.276 122.820 0.002 0.000 1.986 119 A HA 0.112 4.432 4.320 -0.001 0.000 0.220 119 A C 2.438 180.044 177.584 0.038 0.000 1.171 119 A CA 2.338 54.385 52.037 0.016 0.000 0.640 119 A CB -1.936 17.074 19.000 0.016 0.000 0.811 119 A HN 1.056 nan 8.150 nan 0.000 0.451 120 G N -0.863 107.967 108.800 0.050 0.000 2.476 120 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 120 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 120 G C 1.495 176.409 174.900 0.024 0.000 1.164 120 G CA 1.635 46.761 45.100 0.044 0.000 0.768 120 G HN 0.460 nan 8.290 nan 0.000 0.560 121 M N 0.359 119.984 119.600 0.041 0.000 2.254 121 M HA 0.182 4.661 4.480 -0.001 0.000 0.265 121 M C 2.483 178.815 176.300 0.054 0.000 1.066 121 M CA 0.900 56.220 55.300 0.033 0.000 1.123 121 M CB -0.263 32.412 32.600 0.126 0.000 1.388 121 M HN 0.130 nan 8.290 nan 0.000 0.425 122 R N -0.533 119.999 120.500 0.054 0.000 2.159 122 R HA -0.090 4.249 4.340 -0.001 0.000 0.237 122 R C 1.788 178.110 176.300 0.038 0.000 1.131 122 R CA 1.212 57.336 56.100 0.041 0.000 0.982 122 R CB -0.640 29.672 30.300 0.020 0.000 0.868 122 R HN 0.389 nan 8.270 nan 0.000 0.453 123 L N 0.850 122.096 121.223 0.038 0.000 2.552 123 L HA 0.064 4.403 4.340 -0.001 0.000 0.227 123 L C 0.563 177.455 176.870 0.036 0.000 1.146 123 L CA 0.159 55.023 54.840 0.040 0.000 0.858 123 L CB -0.045 42.040 42.059 0.044 0.000 0.969 123 L HN 0.069 nan 8.230 nan 0.000 0.451 124 L N 0.137 121.381 121.223 0.034 0.000 2.343 124 L HA 0.384 4.723 4.340 -0.001 0.000 0.275 124 L C -2.101 174.800 176.870 0.051 0.000 1.056 124 L CA -2.185 52.679 54.840 0.039 0.000 0.804 124 L CB 0.757 42.835 42.059 0.031 0.000 1.203 124 L HN -0.241 nan 8.230 nan 0.000 0.440 125 P HA -0.044 nan 4.420 nan 0.000 0.266 125 P C 0.033 177.375 177.300 0.071 0.000 1.195 125 P CA -0.137 62.993 63.100 0.050 0.000 0.768 125 P CB 0.579 32.304 31.700 0.042 0.000 0.838 126 Q N 3.075 122.916 119.800 0.068 0.000 2.234 126 Q HA -0.187 4.152 4.340 -0.001 0.000 0.206 126 Q C 1.688 177.747 176.000 0.097 0.000 0.980 126 Q CA 2.337 58.193 55.803 0.089 0.000 0.869 126 Q CB -0.939 27.839 28.738 0.065 0.000 0.912 126 Q HN 0.514 nan 8.270 nan 0.000 0.436 127 S N -1.142 114.601 115.700 0.071 0.000 2.387 127 S HA -0.157 4.312 4.470 -0.001 0.000 0.226 127 S C 1.934 176.575 174.600 0.068 0.000 1.026 127 S CA 1.002 59.239 58.200 0.061 0.000 0.972 127 S CB -0.335 62.888 63.200 0.038 0.000 0.814 127 S HN 0.394 nan 8.310 nan 0.000 0.477 128 Q N 1.368 121.215 119.800 0.078 0.000 2.137 128 Q HA 0.083 4.422 4.340 -0.001 0.000 0.198 128 Q C 2.286 178.397 176.000 0.184 0.000 0.960 128 Q CA 1.514 57.373 55.803 0.093 0.000 0.847 128 Q CB -0.519 28.275 28.738 0.095 0.000 0.915 128 Q HN 0.746 nan 8.270 nan 0.000 0.448 129 Q N -0.032 119.886 119.800 0.197 0.000 2.135 129 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 129 Q C 1.929 178.114 176.000 0.308 0.000 0.981 129 Q CA 1.500 57.460 55.803 0.262 0.000 0.856 129 Q CB -0.200 28.715 28.738 0.295 0.000 0.902 129 Q HN 0.287 nan 8.270 nan 0.000 0.425 130 K N 1.388 121.940 120.400 0.252 0.000 2.103 130 K HA -0.198 4.121 4.320 -0.001 0.000 0.207 130 K C 1.777 178.470 176.600 0.154 0.000 1.048 130 K CA 1.320 57.748 56.287 0.236 0.000 0.930 130 K CB 0.115 32.704 32.500 0.148 0.000 0.716 130 K HN 0.063 nan 8.250 nan 0.000 0.444 131 K N -0.444 119.988 120.400 0.054 0.000 2.032 131 K HA -0.195 4.124 4.320 -0.001 0.000 0.209 131 K C 2.139 178.651 176.600 -0.146 0.000 1.048 131 K CA 1.973 58.209 56.287 -0.085 0.000 0.927 131 K CB -0.346 32.029 32.500 -0.208 0.000 0.712 131 K HN 0.204 nan 8.250 nan 0.000 0.441 132 Y N -0.283 119.911 120.300 -0.176 0.000 2.145 132 Y HA -0.241 4.308 4.550 -0.001 0.000 0.286 132 Y C 2.278 178.086 175.900 -0.152 0.000 1.145 132 Y CA 1.458 59.376 58.100 -0.304 0.000 1.148 132 Y CB -0.533 37.552 38.460 -0.626 0.000 0.981 132 Y HN 0.059 nan 8.280 nan 0.000 0.507 133 Y N -0.149 120.324 120.300 0.289 0.000 2.314 133 Y HA -0.182 4.367 4.550 -0.001 0.000 0.293 133 Y C 2.048 178.048 175.900 0.167 0.000 1.129 133 Y CA 0.895 59.125 58.100 0.216 0.000 1.201 133 Y CB -0.648 37.924 38.460 0.187 0.000 0.999 133 Y HN 0.138 nan 8.280 nan 0.000 0.541 134 D N 0.017 120.566 120.400 0.247 0.000 2.117 134 D HA -0.147 4.492 4.640 -0.001 0.000 0.197 134 D C 1.982 178.399 176.300 0.194 0.000 0.987 134 D CA 1.279 55.389 54.000 0.184 0.000 0.829 134 D CB -0.093 40.771 40.800 0.106 0.000 0.961 134 D HN 0.352 nan 8.370 nan 0.000 0.460 135 E N 0.479 120.767 120.200 0.147 0.000 2.047 135 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 135 E C 2.394 179.172 176.600 0.296 0.000 0.987 135 E CA 0.163 56.668 56.400 0.176 0.000 0.799 135 E CB -0.418 29.322 29.700 0.065 0.000 0.752 135 E HN 0.293 nan 8.360 nan 0.000 0.449 136 L N 1.344 122.727 121.223 0.267 0.000 2.046 136 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 136 L C 2.511 179.649 176.870 0.447 0.000 1.077 136 L CA 1.475 56.493 54.840 0.296 0.000 0.747 136 L CB -0.072 42.072 42.059 0.141 0.000 0.896 136 L HN -0.008 nan 8.230 nan 0.000 0.432 137 E N -0.514 119.906 120.200 0.367 0.000 2.058 137 E HA -0.308 4.041 4.350 -0.001 0.000 0.194 137 E C 2.022 178.821 176.600 0.332 0.000 0.997 137 E CA 1.890 58.484 56.400 0.324 0.000 0.801 137 E CB -0.482 29.369 29.700 0.252 0.000 0.746 137 E HN 0.655 nan 8.360 nan 0.000 0.450 138 Y N -0.698 119.733 120.300 0.218 0.000 2.181 138 Y HA -0.239 4.310 4.550 -0.001 0.000 0.288 138 Y C 2.281 178.289 175.900 0.180 0.000 1.146 138 Y CA 2.218 60.417 58.100 0.165 0.000 1.164 138 Y CB -0.695 37.842 38.460 0.127 0.000 0.982 138 Y HN 0.147 nan 8.280 nan 0.000 0.515 139 W N -0.085 121.266 121.300 0.086 0.000 2.335 139 W HA -0.268 4.391 4.660 -0.001 0.000 0.311 139 W C 1.813 178.221 176.519 -0.185 0.000 1.213 139 W CA 2.406 59.702 57.345 -0.083 0.000 1.274 139 W CB -0.766 28.640 29.460 -0.090 0.000 1.148 139 W HN 0.096 nan 8.180 nan 0.000 0.498 140 F N 0.230 120.348 119.950 0.280 0.000 2.293 140 F HA -0.095 4.431 4.527 -0.001 0.000 0.300 140 F C 2.455 178.204 175.800 -0.085 0.000 1.086 140 F CA 1.596 59.681 58.000 0.143 0.000 1.375 140 F CB -0.585 38.545 39.000 0.216 0.000 1.045 140 F HN -0.247 nan 8.300 nan 0.000 0.516 141 R N -0.172 120.338 120.500 0.016 0.000 2.189 141 R HA -0.102 4.238 4.340 -0.001 0.000 0.223 141 R C 1.563 177.718 176.300 -0.242 0.000 1.092 141 R CA 0.693 56.733 56.100 -0.100 0.000 0.989 141 R CB -0.153 30.081 30.300 -0.110 0.000 0.876 141 R HN 0.250 nan 8.270 nan 0.000 0.457 142 Q N 0.555 120.106 119.800 -0.414 0.000 2.403 142 Q HA -0.008 4.331 4.340 -0.001 0.000 0.203 142 Q C -0.008 175.773 176.000 -0.366 0.000 0.932 142 Q CA 0.580 56.121 55.803 -0.438 0.000 0.945 142 Q CB 0.484 28.881 28.738 -0.569 0.000 1.045 142 Q HN 0.420 nan 8.270 nan 0.000 0.511 143 Q N -1.729 117.871 119.800 -0.333 0.000 2.605 143 Q HA 0.561 4.900 4.340 -0.001 0.000 0.296 143 Q C 0.311 176.240 176.000 -0.119 0.000 1.056 143 Q CA -0.505 55.145 55.803 -0.256 0.000 0.778 143 Q CB 0.815 29.321 28.738 -0.386 0.000 1.497 143 Q HN -0.087 nan 8.270 nan 0.000 0.443 144 S N -1.532 114.111 115.700 -0.095 0.000 2.649 144 S HA 0.023 4.492 4.470 -0.001 0.000 0.246 144 S C 1.305 175.807 174.600 -0.163 0.000 1.057 144 S CA 0.262 58.408 58.200 -0.091 0.000 1.051 144 S CB -0.034 63.111 63.200 -0.093 0.000 1.018 144 S HN 0.632 nan 8.310 nan 0.000 0.569 145 Q N 0.145 119.822 119.800 -0.206 0.000 2.079 145 Q HA -0.005 4.334 4.340 -0.001 0.000 0.200 145 Q C -0.629 175.095 176.000 -0.459 0.000 0.974 145 Q CA 1.001 56.523 55.803 -0.468 0.000 0.840 145 Q CB 0.058 28.527 28.738 -0.448 0.000 0.898 145 Q HN 0.714 nan 8.270 nan 0.000 0.430 146 W N 1.308 122.630 121.300 0.036 0.000 2.391 146 W HA 0.314 4.973 4.660 -0.001 0.000 0.311 146 W C -0.306 176.288 176.519 0.125 0.000 1.087 146 W CA -0.729 56.709 57.345 0.156 0.000 1.209 146 W CB 0.998 30.717 29.460 0.431 0.000 1.273 146 W HN 0.025 nan 8.180 nan 0.000 0.482 147 Q N 4.419 124.357 119.800 0.229 0.000 2.503 147 Q HA 0.217 4.556 4.340 -0.001 0.000 0.227 147 Q C -0.805 175.203 176.000 0.013 0.000 1.109 147 Q CA -0.875 54.983 55.803 0.091 0.000 0.922 147 Q CB 0.506 29.254 28.738 0.017 0.000 1.249 147 Q HN 0.544 nan 8.270 nan 0.000 0.530 148 L N 4.876 126.068 121.223 -0.052 0.000 2.500 148 L HA -0.008 4.331 4.340 -0.001 0.000 0.272 148 L C 0.312 177.022 176.870 -0.267 0.000 1.149 148 L CA 0.595 55.251 54.840 -0.306 0.000 0.897 148 L CB 1.026 42.769 42.059 -0.527 0.000 1.178 148 L HN 0.547 nan 8.230 nan 0.000 0.473 149 V N 3.813 123.482 119.914 -0.409 0.000 2.374 149 V HA 0.129 4.248 4.120 -0.001 0.000 0.241 149 V C 0.571 176.461 176.094 -0.340 0.000 1.034 149 V CA 0.941 62.971 62.300 -0.450 0.000 1.037 149 V CB -0.403 30.904 31.823 -0.860 0.000 0.682 149 V HN 0.836 nan 8.190 nan 0.000 0.463 150 E N -1.087 118.889 120.200 -0.373 0.000 2.343 150 E HA 0.686 5.035 4.350 -0.001 0.000 0.278 150 E C -1.191 175.400 176.600 -0.014 0.000 0.910 150 E CA -0.431 55.914 56.400 -0.091 0.000 0.757 150 E CB 2.415 32.200 29.700 0.142 0.000 1.218 150 E HN 0.278 nan 8.360 nan 0.000 0.435 151 A N 3.165 126.012 122.820 0.045 0.000 2.335 151 A HA 0.698 5.017 4.320 -0.001 0.000 0.304 151 A C -0.759 176.840 177.584 0.024 0.000 1.118 151 A CA -0.586 51.555 52.037 0.173 0.000 0.757 151 A CB 0.726 19.779 19.000 0.089 0.000 1.188 151 A HN 0.649 nan 8.150 nan 0.000 0.460 152 K N 0.128 120.625 120.400 0.161 0.000 2.615 152 K HA 0.562 4.882 4.320 -0.001 0.000 0.291 152 K C -1.260 175.414 176.600 0.124 0.000 1.017 152 K CA -0.728 55.437 56.287 -0.203 0.000 0.882 152 K CB 0.950 33.401 32.500 -0.082 0.000 1.522 152 K HN 0.250 nan 8.250 nan 0.000 0.412 153 T N 2.557 117.143 114.554 0.053 0.000 2.729 153 T HA 0.306 4.655 4.350 -0.001 0.000 0.296 153 T C 0.459 175.161 174.700 0.004 0.000 0.928 153 T CA -0.706 61.493 62.100 0.165 0.000 1.045 153 T CB -0.376 68.615 68.868 0.205 0.000 0.902 153 T HN 0.477 nan 8.240 nan 0.000 0.500 154 I N 1.549 122.084 120.570 -0.058 0.000 2.581 154 I HA 0.469 4.638 4.170 -0.001 0.000 0.288 154 I C 0.966 176.993 176.117 -0.151 0.000 1.047 154 I CA -0.949 60.241 61.300 -0.183 0.000 1.374 154 I CB 0.640 38.454 38.000 -0.310 0.000 1.423 154 I HN 0.513 nan 8.210 nan 0.000 0.549 155 T N 2.077 116.525 114.554 -0.177 0.000 2.813 155 T HA 0.245 4.594 4.350 -0.001 0.000 0.297 155 T C 1.345 175.917 174.700 -0.213 0.000 1.036 155 T CA -0.142 61.850 62.100 -0.180 0.000 1.044 155 T CB 1.171 69.918 68.868 -0.202 0.000 0.993 155 T HN 0.873 nan 8.240 nan 0.000 0.535 156 G N 0.820 109.502 108.800 -0.197 0.000 2.450 156 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.220 156 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.220 156 G C 1.384 176.128 174.900 -0.260 0.000 1.130 156 G CA 0.823 45.798 45.100 -0.208 0.000 0.760 156 G HN 0.868 nan 8.290 nan 0.000 0.557 157 N N 0.740 119.262 118.700 -0.296 0.000 2.084 157 N HA -0.084 4.655 4.740 -0.001 0.000 0.190 157 N C 1.645 176.927 175.510 -0.380 0.000 1.030 157 N CA 1.211 54.053 53.050 -0.346 0.000 0.849 157 N CB -0.093 38.185 38.487 -0.347 0.000 1.012 157 N HN 0.141 nan 8.380 nan 0.000 0.423 158 D N 0.868 121.037 120.400 -0.384 0.000 2.104 158 D HA -0.197 4.442 4.640 -0.001 0.000 0.194 158 D C 1.708 177.626 176.300 -0.637 0.000 0.994 158 D CA 1.001 54.676 54.000 -0.542 0.000 0.830 158 D CB -0.327 40.230 40.800 -0.404 0.000 0.959 158 D HN 0.396 nan 8.370 nan 0.000 0.452 159 E N 0.527 120.493 120.200 -0.390 0.000 2.077 159 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 159 E C 2.029 178.495 176.600 -0.223 0.000 0.989 159 E CA 1.049 57.255 56.400 -0.323 0.000 0.800 159 E CB 0.001 29.453 29.700 -0.413 0.000 0.746 159 E HN 0.172 nan 8.360 nan 0.000 0.452 160 A N 1.185 123.866 122.820 -0.232 0.000 1.883 160 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 160 A C 2.167 179.675 177.584 -0.125 0.000 1.186 160 A CA 1.576 53.527 52.037 -0.144 0.000 0.624 160 A CB -0.829 18.057 19.000 -0.190 0.000 0.822 160 A HN 0.410 nan 8.150 nan 0.000 0.444 161 L N -1.223 119.813 121.223 -0.312 0.000 2.012 161 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 161 L C 2.165 178.972 176.870 -0.105 0.000 1.073 161 L CA 2.163 56.804 54.840 -0.332 0.000 0.748 161 L CB -0.866 40.806 42.059 -0.645 0.000 0.891 161 L HN 0.329 nan 8.230 nan 0.000 0.431 162 F N 0.254 120.224 119.950 0.035 0.000 2.186 162 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 162 F C 2.369 178.282 175.800 0.188 0.000 1.090 162 F CA 1.120 59.208 58.000 0.146 0.000 1.307 162 F CB -1.293 37.905 39.000 0.331 0.000 1.019 162 F HN 0.187 nan 8.300 nan 0.000 0.489 163 D N -0.860 119.737 120.400 0.328 0.000 2.116 163 D HA -0.259 4.381 4.640 -0.001 0.000 0.193 163 D C 2.057 178.503 176.300 0.244 0.000 0.998 163 D CA 1.361 55.520 54.000 0.266 0.000 0.836 163 D CB -0.847 40.066 40.800 0.188 0.000 0.951 163 D HN 0.421 nan 8.370 nan 0.000 0.449 164 W N 1.412 122.747 121.300 0.058 0.000 2.358 164 W HA -0.087 4.572 4.660 -0.001 0.000 0.303 164 W C 2.190 178.734 176.519 0.040 0.000 1.208 164 W CA 1.038 58.405 57.345 0.035 0.000 1.274 164 W CB -0.386 29.065 29.460 -0.016 0.000 1.138 164 W HN -0.089 nan 8.180 nan 0.000 0.515 165 L N 0.296 121.702 121.223 0.305 0.000 2.046 165 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 165 L C 2.717 179.597 176.870 0.017 0.000 1.077 165 L CA 1.465 56.389 54.840 0.140 0.000 0.747 165 L CB -1.370 40.819 42.059 0.217 0.000 0.896 165 L HN 0.094 nan 8.230 nan 0.000 0.432 166 A N -0.415 122.445 122.820 0.067 0.000 1.877 166 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 166 A C 2.324 179.912 177.584 0.007 0.000 1.186 166 A CA 1.843 53.905 52.037 0.042 0.000 0.620 166 A CB -0.823 18.231 19.000 0.090 0.000 0.822 166 A HN 0.189 nan 8.150 nan 0.000 0.443 167 V N 0.607 120.485 119.914 -0.060 0.000 2.307 167 V HA -0.264 3.855 4.120 -0.001 0.000 0.245 167 V C 2.185 178.099 176.094 -0.301 0.000 1.045 167 V CA 2.368 64.574 62.300 -0.156 0.000 1.024 167 V CB -1.131 30.601 31.823 -0.152 0.000 0.651 167 V HN 0.625 nan 8.190 nan 0.000 0.449 168 N N -1.004 117.433 118.700 -0.440 0.000 2.244 168 N HA -0.169 4.570 4.740 -0.001 0.000 0.183 168 N C 1.712 177.065 175.510 -0.262 0.000 1.016 168 N CA 1.191 53.934 53.050 -0.512 0.000 0.866 168 N CB -0.347 37.592 38.487 -0.913 0.000 0.980 168 N HN 0.627 nan 8.380 nan 0.000 0.430 169 Y N 1.705 121.865 120.300 -0.234 0.000 2.145 169 Y HA -0.163 4.386 4.550 -0.001 0.000 0.286 169 Y C 2.265 178.091 175.900 -0.122 0.000 1.145 169 Y CA 1.546 59.574 58.100 -0.120 0.000 1.148 169 Y CB -0.042 38.374 38.460 -0.073 0.000 0.981 169 Y HN -0.103 nan 8.280 nan 0.000 0.507 170 K N 0.140 120.516 120.400 -0.040 0.000 2.097 170 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 170 K C 1.705 178.179 176.600 -0.210 0.000 1.049 170 K CA 1.712 57.938 56.287 -0.102 0.000 0.933 170 K CB -0.312 32.165 32.500 -0.039 0.000 0.717 170 K HN 0.435 nan 8.250 nan 0.000 0.442 171 L N 0.486 121.544 121.223 -0.276 0.000 2.554 171 L HA -0.017 4.322 4.340 -0.001 0.000 0.226 171 L C 0.213 176.920 176.870 -0.272 0.000 1.137 171 L CA 0.215 54.870 54.840 -0.308 0.000 0.863 171 L CB -0.271 41.517 42.059 -0.452 0.000 0.985 171 L HN 0.325 nan 8.230 nan 0.000 0.451 172 D N 0.631 120.852 120.400 -0.298 0.000 2.723 172 D HA -0.189 4.450 4.640 -0.001 0.000 0.236 172 D C 0.989 177.152 176.300 -0.229 0.000 1.138 172 D CA 1.095 54.920 54.000 -0.291 0.000 0.676 172 D CB -0.693 39.954 40.800 -0.255 0.000 1.069 172 D HN 0.480 nan 8.370 nan 0.000 0.430 173 T N -3.402 111.016 114.554 -0.225 0.000 3.054 173 T HA 0.282 4.631 4.350 -0.001 0.000 0.255 173 T C 2.020 176.654 174.700 -0.110 0.000 1.035 173 T CA -0.138 61.857 62.100 -0.176 0.000 0.941 173 T CB 0.011 68.751 68.868 -0.215 0.000 1.026 173 T HN 0.298 nan 8.240 nan 0.000 0.533 174 L N 0.003 121.180 121.223 -0.076 0.000 2.307 174 L HA 0.301 4.640 4.340 -0.001 0.000 0.211 174 L C 2.682 179.641 176.870 0.147 0.000 1.099 174 L CA 0.638 55.540 54.840 0.103 0.000 0.816 174 L CB -0.199 42.032 42.059 0.288 0.000 0.952 174 L HN 0.150 nan 8.230 nan 0.000 0.455 175 K N -0.077 120.245 120.400 -0.129 0.000 2.296 175 K HA 0.000 4.319 4.320 -0.001 0.000 0.200 175 K C 0.666 177.208 176.600 -0.096 0.000 1.048 175 K CA 0.629 56.727 56.287 -0.314 0.000 0.966 175 K CB 0.223 32.406 32.500 -0.528 0.000 0.754 175 K HN 0.332 nan 8.250 nan 0.000 0.466 176 S N -0.672 114.996 115.700 -0.054 0.000 2.599 176 S HA 0.380 4.849 4.470 -0.001 0.000 0.287 176 S C -0.183 174.421 174.600 0.007 0.000 1.105 176 S CA -1.158 57.029 58.200 -0.022 0.000 0.899 176 S CB 1.970 65.142 63.200 -0.046 0.000 1.100 176 S HN -0.158 nan 8.310 nan 0.000 0.482 177 V N 3.054 122.978 119.914 0.015 0.000 2.585 177 V HA 0.097 4.217 4.120 -0.001 0.000 0.296 177 V C 0.949 177.051 176.094 0.013 0.000 1.035 177 V CA 0.150 62.465 62.300 0.025 0.000 1.084 177 V CB 0.480 32.315 31.823 0.021 0.000 0.953 177 V HN 0.899 nan 8.190 nan 0.000 0.483 178 Q N 3.247 123.061 119.800 0.024 0.000 2.287 178 Q HA 0.065 4.404 4.340 -0.001 0.000 0.201 178 Q C 1.691 177.695 176.000 0.007 0.000 0.946 178 Q CA 1.078 56.888 55.803 0.012 0.000 0.868 178 Q CB -0.678 28.076 28.738 0.025 0.000 0.967 178 Q HN 1.162 nan 8.270 nan 0.000 0.516 179 N N 0.507 119.215 118.700 0.014 0.000 2.716 179 N HA -0.186 4.553 4.740 -0.001 0.000 0.250 179 N C 0.036 175.546 175.510 0.001 0.000 1.033 179 N CA 1.428 54.482 53.050 0.006 0.000 0.727 179 N CB -2.482 nan 38.487 nan 0.000 0.950 179 N HN 0.471 nan 8.380 nan 0.000 0.541 180 K N -0.316 120.087 120.400 0.005 0.000 2.762 180 K HA 0.755 5.074 4.320 -0.001 0.000 0.272 180 K C -0.071 176.531 176.600 0.002 0.000 1.093 180 K CA 0.430 56.714 56.287 -0.005 0.000 1.048 180 K CB 0.503 32.996 32.500 -0.011 0.000 1.304 180 K HN 1.409 nan 8.250 nan 0.000 0.511 181 S N 1.556 117.247 115.700 -0.015 0.000 2.498 181 S HA 0.447 4.916 4.470 -0.001 0.000 0.281 181 S C 0.007 174.582 174.600 -0.042 0.000 1.265 181 S CA -0.194 58.000 58.200 -0.011 0.000 1.071 181 S CB -0.096 63.073 63.200 -0.053 0.000 0.894 181 S HN 0.611 nan 8.310 nan 0.000 0.491 182 V N 5.195 125.146 119.914 0.061 0.000 2.417 182 V HA 0.709 4.828 4.120 -0.001 0.000 0.291 182 V C 0.872 177.055 176.094 0.148 0.000 1.024 182 V CA -0.551 61.780 62.300 0.052 0.000 0.861 182 V CB 1.413 33.249 31.823 0.023 0.000 0.985 182 V HN 0.930 nan 8.190 nan 0.000 0.436 183 G N 2.972 111.703 108.800 -0.114 0.000 2.432 183 G HA2 0.687 4.646 3.960 -0.001 0.000 0.331 183 G HA3 0.687 4.646 3.960 -0.001 0.000 0.331 183 G C -1.351 173.796 174.900 0.411 0.000 1.170 183 G CA -0.581 44.478 45.100 -0.068 0.000 0.943 183 G HN 0.549 nan 8.290 nan 0.000 0.483 184 V N 1.849 122.138 119.914 0.625 0.000 2.656 184 V HA 0.581 4.700 4.120 -0.001 0.000 0.307 184 V C -0.175 176.215 176.094 0.492 0.000 1.051 184 V CA -0.534 62.086 62.300 0.532 0.000 0.893 184 V CB 1.845 33.894 31.823 0.377 0.000 0.999 184 V HN 0.757 nan 8.190 nan 0.000 0.426 185 M N 3.590 123.403 119.600 0.355 0.000 2.253 185 M HA 0.470 4.950 4.480 -0.001 0.000 0.314 185 M C -1.412 174.986 176.300 0.165 0.000 1.019 185 M CA -0.497 54.926 55.300 0.207 0.000 0.932 185 M CB 2.022 34.676 32.600 0.090 0.000 1.606 185 M HN 0.618 nan 8.290 nan 0.000 0.430 186 D N 4.107 124.597 120.400 0.150 0.000 2.349 186 D HA 0.316 4.955 4.640 -0.001 0.000 0.232 186 D C -0.700 175.674 176.300 0.122 0.000 1.071 186 D CA -0.352 53.722 54.000 0.123 0.000 0.832 186 D CB 0.982 41.845 40.800 0.105 0.000 1.086 186 D HN 0.395 nan 8.370 nan 0.000 0.504 187 M N 3.593 123.252 119.600 0.099 0.000 3.213 187 M HA 0.316 4.795 4.480 -0.001 0.000 0.275 187 M C 0.754 177.150 176.300 0.159 0.000 1.424 187 M CA -0.469 54.922 55.300 0.151 0.000 1.561 187 M CB -0.086 32.581 32.600 0.111 0.000 1.109 187 M HN 0.355 nan 8.290 nan 0.000 0.552 188 G N 0.467 109.353 108.800 0.142 0.000 2.616 188 G HA2 0.444 4.403 3.960 -0.001 0.000 0.268 188 G HA3 0.444 4.403 3.960 -0.001 0.000 0.268 188 G C 0.869 175.834 174.900 0.108 0.000 1.213 188 G CA -0.230 44.937 45.100 0.110 0.000 0.926 188 G HN 0.671 nan 8.290 nan 0.000 0.523 189 G N -0.886 107.965 108.800 0.085 0.000 2.430 189 G HA2 0.216 4.175 3.960 -0.001 0.000 0.216 189 G HA3 0.216 4.175 3.960 -0.001 0.000 0.216 189 G C 1.384 176.302 174.900 0.031 0.000 1.146 189 G CA 1.677 46.816 45.100 0.064 0.000 0.793 189 G HN 0.939 nan 8.290 nan 0.000 0.537 190 A N -0.444 122.401 122.820 0.043 0.000 2.074 190 A HA 0.548 4.867 4.320 -0.001 0.000 0.200 190 A C 1.242 178.856 177.584 0.050 0.000 1.335 190 A CA 1.153 53.209 52.037 0.032 0.000 0.922 190 A CB 0.255 19.278 19.000 0.038 0.000 0.972 190 A HN 0.671 nan 8.150 nan 0.000 0.475 191 S N -0.518 115.215 115.700 0.055 0.000 2.599 191 S HA 0.686 5.155 4.470 -0.001 0.000 0.294 191 S C -0.601 174.061 174.600 0.102 0.000 1.094 191 S CA -0.079 58.166 58.200 0.074 0.000 0.931 191 S CB 1.479 64.701 63.200 0.037 0.000 1.093 191 S HN 1.246 nan 8.310 nan 0.000 0.488 192 V N -0.429 119.579 119.914 0.157 0.000 2.581 192 V HA 0.817 4.936 4.120 -0.001 0.000 0.303 192 V C -1.202 175.013 176.094 0.202 0.000 1.041 192 V CA -0.683 61.735 62.300 0.196 0.000 0.907 192 V CB 1.105 33.074 31.823 0.242 0.000 0.994 192 V HN 0.861 nan 8.190 nan 0.000 0.442 193 Q N 3.230 123.122 119.800 0.154 0.000 2.345 193 Q HA 0.763 5.103 4.340 -0.001 0.000 0.268 193 Q C -0.860 175.229 176.000 0.148 0.000 1.054 193 Q CA -0.338 55.528 55.803 0.105 0.000 0.835 193 Q CB 2.645 31.397 28.738 0.023 0.000 1.339 193 Q HN 0.980 nan 8.270 nan 0.000 0.447 194 I N 1.023 121.657 120.570 0.106 0.000 2.686 194 I HA 0.790 4.959 4.170 -0.001 0.000 0.295 194 I C -1.673 174.508 176.117 0.106 0.000 1.114 194 I CA -1.061 60.299 61.300 0.101 0.000 1.038 194 I CB 1.768 39.676 38.000 -0.152 0.000 1.238 194 I HN 0.477 nan 8.210 nan 0.000 0.420 195 V N 8.248 128.301 119.914 0.231 0.000 2.817 195 V HA 0.702 4.821 4.120 -0.001 0.000 0.303 195 V C -1.904 174.299 176.094 0.182 0.000 1.151 195 V CA -0.258 62.054 62.300 0.020 0.000 0.929 195 V CB 1.884 33.688 31.823 -0.032 0.000 1.030 195 V HN 0.715 nan 8.190 nan 0.000 0.427 196 F N 4.160 124.107 119.950 -0.004 0.000 2.654 196 F HA 0.914 5.439 4.527 -0.002 0.000 0.308 196 F C -3.136 172.563 175.800 -0.169 0.000 1.108 196 F CA -2.682 55.274 58.000 -0.075 0.000 0.957 196 F CB 1.207 40.173 39.000 -0.056 0.000 1.309 196 F HN 0.298 nan 8.300 nan 0.000 0.446 197 P HA 0.276 nan 4.420 nan 0.000 0.268 197 P C -0.828 176.513 177.300 0.069 0.000 1.204 197 P CA 0.040 63.097 63.100 -0.071 0.000 0.768 197 P CB 0.621 32.312 31.700 -0.015 0.000 0.842 198 M N 3.925 123.509 119.600 -0.026 0.000 2.307 198 M HA 0.367 4.846 4.480 -0.001 0.000 0.279 198 M C -3.038 173.247 176.300 -0.025 0.000 1.080 198 M CA -2.188 53.127 55.300 0.025 0.000 0.964 198 M CB 2.304 34.940 32.600 0.060 0.000 1.825 198 M HN 0.064 nan 8.290 nan 0.000 0.489 199 P HA 0.040 nan 4.420 nan 0.000 0.267 199 P C -1.374 175.911 177.300 -0.026 0.000 1.200 199 P CA 0.029 63.115 63.100 -0.025 0.000 0.772 199 P CB 0.435 32.126 31.700 -0.014 0.000 0.855 200 K N 2.974 123.353 120.400 -0.036 0.000 2.504 200 K HA -0.056 4.263 4.320 -0.001 0.000 0.278 200 K C -0.096 176.490 176.600 -0.024 0.000 1.025 200 K CA 0.487 56.752 56.287 -0.037 0.000 1.093 200 K CB -0.137 32.338 32.500 -0.043 0.000 0.873 200 K HN 0.365 nan 8.250 nan 0.000 0.483 201 N N 3.374 122.063 118.700 -0.018 0.000 2.461 201 N HA 0.228 4.967 4.740 -0.001 0.000 0.284 201 N C -0.121 175.381 175.510 -0.013 0.000 1.049 201 N CA -0.190 52.854 53.050 -0.010 0.000 0.889 201 N CB 1.792 40.280 38.487 0.002 0.000 1.365 201 N HN 0.587 nan 8.380 nan 0.000 0.499 202 A N 2.918 125.728 122.820 -0.015 0.000 2.067 202 A HA -0.025 4.295 4.320 -0.001 0.000 0.219 202 A C 1.673 179.250 177.584 -0.012 0.000 1.158 202 A CA 1.957 53.983 52.037 -0.019 0.000 0.661 202 A CB -0.545 18.444 19.000 -0.018 0.000 0.801 202 A HN 0.760 nan 8.150 nan 0.000 0.452 203 E N -0.368 119.830 120.200 -0.003 0.000 2.435 203 E HA 0.342 4.691 4.350 -0.001 0.000 0.195 203 E C 0.564 177.174 176.600 0.017 0.000 1.029 203 E CA 0.498 56.902 56.400 0.006 0.000 0.865 203 E CB -0.477 29.228 29.700 0.008 0.000 0.833 203 E HN 0.722 nan 8.360 nan 0.000 0.510 204 I N 0.582 121.164 120.570 0.020 0.000 2.437 204 I HA 0.232 4.401 4.170 -0.001 0.000 0.298 204 I C 0.685 176.812 176.117 0.017 0.000 0.984 204 I CA -1.045 60.284 61.300 0.047 0.000 1.214 204 I CB 2.146 40.200 38.000 0.090 0.000 1.365 204 I HN 0.099 nan 8.210 nan 0.000 0.469 205 S N 4.420 120.134 115.700 0.023 0.000 2.573 205 S HA -0.078 4.391 4.470 -0.001 0.000 0.297 205 S C 1.408 175.945 174.600 -0.104 0.000 1.280 205 S CA -0.050 58.133 58.200 -0.028 0.000 1.061 205 S CB 0.380 63.586 63.200 0.010 0.000 0.812 205 S HN 0.766 nan 8.310 nan 0.000 0.500 206 K N 4.070 124.345 120.400 -0.209 0.000 2.280 206 K HA -0.142 4.177 4.320 -0.001 0.000 0.202 206 K C 1.173 177.574 176.600 -0.332 0.000 1.047 206 K CA 1.549 57.666 56.287 -0.282 0.000 0.942 206 K CB -0.354 31.941 32.500 -0.342 0.000 0.739 206 K HN 0.748 nan 8.250 nan 0.000 0.457 207 H N 0.983 119.962 119.070 -0.152 0.000 2.495 207 H HA 0.070 4.625 4.556 -0.001 0.000 0.287 207 H C 0.954 176.100 175.328 -0.303 0.000 1.033 207 H CA 0.771 56.696 56.048 -0.206 0.000 1.307 207 H CB 0.061 29.707 29.762 -0.194 0.000 1.401 207 H HN 0.349 nan 8.280 nan 0.000 0.555 208 N N 1.389 119.950 118.700 -0.232 0.000 2.314 208 N HA 0.011 4.750 4.740 -0.001 0.000 0.200 208 N C -0.260 174.968 175.510 -0.470 0.000 1.135 208 N CA 0.253 53.022 53.050 -0.470 0.000 0.835 208 N CB 0.746 38.945 38.487 -0.480 0.000 0.989 208 N HN 0.519 nan 8.380 nan 0.000 0.478 209 Q N 0.204 119.827 119.800 -0.295 0.000 2.347 209 Q HA 0.538 4.878 4.340 -0.001 0.000 0.271 209 Q C -1.118 174.736 176.000 -0.243 0.000 1.064 209 Q CA -0.681 54.974 55.803 -0.247 0.000 0.800 209 Q CB 3.071 31.725 28.738 -0.140 0.000 1.304 209 Q HN -0.160 nan 8.270 nan 0.000 0.438 210 V N 0.906 120.661 119.914 -0.264 0.000 2.769 210 V HA 0.491 4.610 4.120 -0.001 0.000 0.312 210 V C -0.647 175.325 176.094 -0.204 0.000 1.061 210 V CA -0.884 61.270 62.300 -0.245 0.000 0.931 210 V CB 2.105 33.735 31.823 -0.322 0.000 1.010 210 V HN 0.734 nan 8.190 nan 0.000 0.433 211 E N 4.069 124.184 120.200 -0.143 0.000 2.210 211 E HA 0.824 5.174 4.350 -0.001 0.000 0.266 211 E C -1.228 175.339 176.600 -0.055 0.000 0.883 211 E CA -0.605 55.734 56.400 -0.102 0.000 0.761 211 E CB 2.568 32.225 29.700 -0.072 0.000 1.156 211 E HN 0.703 nan 8.360 nan 0.000 0.412 212 L N 0.337 121.531 121.223 -0.047 0.000 2.622 212 L HA 0.648 4.988 4.340 -0.001 0.000 0.258 212 L C -1.494 175.382 176.870 0.009 0.000 0.996 212 L CA -1.120 53.731 54.840 0.020 0.000 0.858 212 L CB 2.119 44.209 42.059 0.052 0.000 1.449 212 L HN 0.324 nan 8.230 nan 0.000 0.411 213 N N 2.251 120.966 118.700 0.025 0.000 2.399 213 N HA 0.583 5.323 4.740 -0.001 0.000 0.280 213 N C -1.803 173.708 175.510 0.001 0.000 1.008 213 N CA -0.358 52.701 53.050 0.016 0.000 0.894 213 N CB 1.933 40.425 38.487 0.008 0.000 1.273 213 N HN 0.643 nan 8.380 nan 0.000 0.486 214 I N 4.052 124.625 120.570 0.005 0.000 2.533 214 I HA 0.245 4.414 4.170 -0.001 0.000 0.290 214 I C -0.397 175.712 176.117 -0.014 0.000 1.056 214 I CA -0.333 60.912 61.300 -0.091 0.000 1.057 214 I CB 0.887 38.859 38.000 -0.046 0.000 1.240 214 I HN 0.551 nan 8.210 nan 0.000 0.423 215 Y N 4.729 125.057 120.300 0.046 0.000 3.491 215 Y HA -0.214 4.335 4.550 -0.002 0.000 0.215 215 Y C 1.535 177.450 175.900 0.026 0.000 1.219 215 Y CA 1.233 59.352 58.100 0.031 0.000 1.485 215 Y CB -1.964 36.513 38.460 0.028 0.000 1.450 215 Y HN 0.976 nan 8.280 nan 0.000 0.603 216 G N -1.005 107.861 108.800 0.110 0.000 2.184 216 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.264 216 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.264 216 G C 0.108 175.047 174.900 0.065 0.000 0.975 216 G CA 0.378 45.523 45.100 0.076 0.000 0.642 216 G HN 0.555 nan 8.290 nan 0.000 0.536 217 Q N 0.326 120.173 119.800 0.079 0.000 2.282 217 Q HA 0.515 4.854 4.340 -0.001 0.000 0.260 217 Q C -0.481 175.547 176.000 0.047 0.000 0.964 217 Q CA -0.968 54.875 55.803 0.066 0.000 0.880 217 Q CB 1.038 29.830 28.738 0.090 0.000 1.286 217 Q HN 0.201 nan 8.270 nan 0.000 0.445 218 N N 2.057 120.773 118.700 0.027 0.000 2.497 218 N HA 0.300 5.040 4.740 -0.001 0.000 0.268 218 N C -0.886 174.624 175.510 -0.001 0.000 1.171 218 N CA 0.316 53.370 53.050 0.007 0.000 0.948 218 N CB 0.587 39.072 38.487 -0.004 0.000 1.069 218 N HN 0.458 nan 8.380 nan 0.000 0.460 219 I N 1.583 122.136 120.570 -0.029 0.000 2.608 219 I HA 0.321 4.490 4.170 -0.001 0.000 0.295 219 I C -0.565 175.468 176.117 -0.140 0.000 1.049 219 I CA -0.826 60.426 61.300 -0.080 0.000 1.063 219 I CB 1.857 39.803 38.000 -0.090 0.000 1.248 219 I HN 0.301 nan 8.210 nan 0.000 0.424 220 N N 6.089 124.685 118.700 -0.173 0.000 2.399 220 N HA 0.675 5.415 4.740 -0.001 0.000 0.284 220 N C -1.519 173.829 175.510 -0.270 0.000 1.025 220 N CA -0.464 52.474 53.050 -0.187 0.000 0.885 220 N CB 1.898 40.315 38.487 -0.116 0.000 1.339 220 N HN 0.361 nan 8.380 nan 0.000 0.487 221 L N 1.762 122.779 121.223 -0.344 0.000 2.362 221 L HA 0.494 4.834 4.340 -0.001 0.000 0.271 221 L C -0.993 175.658 176.870 -0.365 0.000 1.002 221 L CA -1.133 53.439 54.840 -0.447 0.000 0.818 221 L CB 1.415 43.076 42.059 -0.662 0.000 1.298 221 L HN 0.498 nan 8.230 nan 0.000 0.420 222 Y N 3.146 123.109 120.300 -0.561 0.000 2.316 222 Y HA 0.536 5.085 4.550 -0.000 0.000 0.331 222 Y C -0.341 175.194 175.900 -0.608 0.000 1.083 222 Y CA -0.640 57.101 58.100 -0.598 0.000 1.206 222 Y CB 1.185 39.131 38.460 -0.856 0.000 1.195 222 Y HN 0.270 nan 8.280 nan 0.000 0.497 223 V N 3.486 122.761 119.914 -1.066 0.000 2.735 223 V HA 0.647 4.766 4.120 -0.001 0.000 0.310 223 V C -1.475 174.114 176.094 -0.841 0.000 1.061 223 V CA -0.753 61.093 62.300 -0.756 0.000 0.913 223 V CB 1.704 33.212 31.823 -0.526 0.000 1.005 223 V HN 0.951 nan 8.190 nan 0.000 0.428 224 H N 1.303 120.041 119.070 -0.554 0.000 3.038 224 H HA 0.748 5.303 4.556 -0.002 0.000 0.362 224 H C -1.046 174.042 175.328 -0.400 0.000 1.167 224 H CA 0.023 55.781 56.048 -0.483 0.000 1.197 224 H CB 2.228 31.802 29.762 -0.314 0.000 1.840 224 H HN 1.065 nan 8.280 nan 0.000 0.540 225 S N 3.212 118.739 115.700 -0.289 0.000 2.548 225 S HA 0.556 5.025 4.470 -0.001 0.000 0.286 225 S C -1.809 172.556 174.600 -0.392 0.000 1.098 225 S CA -0.596 57.469 58.200 -0.225 0.000 0.930 225 S CB 0.621 63.717 63.200 -0.173 0.000 1.070 225 S HN 0.404 nan 8.310 nan 0.000 0.480 226 F N 3.613 123.644 119.950 0.134 0.000 2.382 226 F HA 0.461 4.987 4.527 -0.002 0.000 0.361 226 F C -0.170 175.660 175.800 0.050 0.000 1.109 226 F CA -0.779 57.284 58.000 0.104 0.000 1.031 226 F CB 1.370 40.356 39.000 -0.024 0.000 1.234 226 F HN 0.403 nan 8.300 nan 0.000 0.445 227 L N 3.568 124.926 121.223 0.224 0.000 2.360 227 L HA 0.634 4.973 4.340 -0.001 0.000 0.276 227 L C 0.907 177.923 176.870 0.243 0.000 1.121 227 L CA 0.737 55.677 54.840 0.167 0.000 0.845 227 L CB 0.502 42.629 42.059 0.113 0.000 1.143 227 L HN 0.854 nan 8.230 nan 0.000 0.452 228 G N 3.889 112.782 108.800 0.156 0.000 2.258 228 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.233 228 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.233 228 G C 0.520 175.479 174.900 0.098 0.000 1.006 228 G CA 0.306 45.501 45.100 0.158 0.000 0.620 228 G HN 0.656 nan 8.290 nan 0.000 0.511 229 L N 2.662 123.891 121.223 0.010 0.000 2.554 229 L HA 0.532 4.871 4.340 -0.001 0.000 0.226 229 L C 1.902 178.832 176.870 0.099 0.000 1.137 229 L CA 1.165 55.977 54.840 -0.045 0.000 0.863 229 L CB -0.659 41.231 42.059 -0.282 0.000 0.985 229 L HN 0.504 nan 8.230 nan 0.000 0.451 230 G N -0.601 108.246 108.800 0.078 0.000 2.559 230 G HA2 0.012 3.971 3.960 -0.001 0.000 0.235 230 G HA3 0.012 3.971 3.960 -0.001 0.000 0.235 230 G C 0.716 175.579 174.900 -0.062 0.000 1.266 230 G CA 0.228 45.374 45.100 0.076 0.000 0.847 230 G HN 0.595 nan 8.290 nan 0.000 0.583 231 Q N 0.486 120.219 119.800 -0.110 0.000 2.170 231 Q HA -0.124 4.215 4.340 -0.001 0.000 0.203 231 Q C 2.049 177.880 176.000 -0.281 0.000 0.976 231 Q CA 1.782 57.337 55.803 -0.413 0.000 0.858 231 Q CB -0.514 28.031 28.738 -0.322 0.000 0.907 231 Q HN 0.464 nan 8.270 nan 0.000 0.433 232 T N 1.372 115.836 114.554 -0.150 0.000 2.701 232 T HA -0.109 4.240 4.350 -0.001 0.000 0.263 232 T C 1.644 176.084 174.700 -0.434 0.000 1.040 232 T CA 1.310 63.304 62.100 -0.176 0.000 1.147 232 T CB -0.129 68.705 68.868 -0.057 0.000 0.865 232 T HN 0.300 nan 8.240 nan 0.000 0.426 233 E N 1.419 121.429 120.200 -0.317 0.000 2.051 233 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 233 E C 2.274 178.723 176.600 -0.252 0.000 0.991 233 E CA 1.342 57.535 56.400 -0.345 0.000 0.799 233 E CB -0.440 29.203 29.700 -0.094 0.000 0.748 233 E HN 0.637 nan 8.360 nan 0.000 0.449 234 M N 0.633 120.152 119.600 -0.136 0.000 2.229 234 M HA -0.075 4.404 4.480 -0.001 0.000 0.264 234 M C 2.122 178.492 176.300 0.117 0.000 1.063 234 M CA 2.229 57.541 55.300 0.021 0.000 1.114 234 M CB -0.814 31.790 32.600 0.007 0.000 1.387 234 M HN -0.023 nan 8.290 nan 0.000 0.420 235 S N -0.403 115.269 115.700 -0.047 0.000 2.419 235 S HA -0.201 4.268 4.470 -0.001 0.000 0.233 235 S C 1.738 176.491 174.600 0.255 0.000 1.016 235 S CA 1.409 59.672 58.200 0.106 0.000 0.974 235 S CB -1.593 61.604 63.200 -0.006 0.000 0.786 235 S HN 0.788 nan 8.310 nan 0.000 0.492 236 H N 0.883 120.005 119.070 0.088 0.000 2.518 236 H HA 0.042 4.598 4.556 -0.001 0.000 0.289 236 H C 1.876 177.194 175.328 -0.016 0.000 1.051 236 H CA 0.988 57.062 56.048 0.043 0.000 1.280 236 H CB 0.074 29.852 29.762 0.026 0.000 1.380 236 H HN 0.435 nan 8.280 nan 0.000 0.566 237 Q N -0.290 119.523 119.800 0.021 0.000 2.398 237 Q HA 0.009 4.348 4.340 -0.001 0.000 0.204 237 Q C 0.650 176.368 176.000 -0.470 0.000 0.932 237 Q CA 0.631 56.249 55.803 -0.308 0.000 0.916 237 Q CB 0.389 28.776 28.738 -0.586 0.000 1.024 237 Q HN 0.517 nan 8.270 nan 0.000 0.504 238 F N -0.601 119.403 119.950 0.091 0.000 2.661 238 F HA 0.213 4.739 4.527 -0.001 0.000 0.306 238 F C 1.570 177.515 175.800 0.242 0.000 1.094 238 F CA -0.113 57.957 58.000 0.117 0.000 1.254 238 F CB 0.197 39.229 39.000 0.053 0.000 1.040 238 F HN -0.094 nan 8.300 nan 0.000 0.562 239 L N -0.296 121.102 121.223 0.292 0.000 2.275 239 L HA -0.121 4.218 4.340 -0.001 0.000 0.215 239 L C 0.772 177.662 176.870 0.033 0.000 1.119 239 L CA 1.406 56.360 54.840 0.190 0.000 0.790 239 L CB -0.478 41.632 42.059 0.085 0.000 0.919 239 L HN 0.199 nan 8.230 nan 0.000 0.443 240 N N -1.111 117.636 118.700 0.078 0.000 2.273 240 N HA 0.066 4.805 4.740 -0.001 0.000 0.231 240 N C -0.323 175.249 175.510 0.104 0.000 1.134 240 N CA -0.260 52.813 53.050 0.037 0.000 0.856 240 N CB 0.660 39.147 38.487 -0.000 0.000 1.068 240 N HN 0.002 nan 8.380 nan 0.000 0.510 241 S N 1.707 117.542 115.700 0.225 0.000 2.415 241 S HA 0.173 4.642 4.470 -0.001 0.000 0.313 241 S C -1.709 173.051 174.600 0.266 0.000 1.067 241 S CA -1.153 57.185 58.200 0.231 0.000 1.099 241 S CB 1.297 64.675 63.200 0.297 0.000 0.991 241 S HN 0.139 nan 8.310 nan 0.000 0.491 242 P HA -0.035 nan 4.420 nan 0.000 0.220 242 P C 1.098 178.474 177.300 0.128 0.000 1.148 242 P CA 0.811 64.011 63.100 0.166 0.000 0.803 242 P CB 0.118 31.874 31.700 0.093 0.000 0.782 243 S N -1.676 114.069 115.700 0.075 0.000 2.474 243 S HA -0.096 4.373 4.470 -0.001 0.000 0.235 243 S C 1.440 175.992 174.600 -0.080 0.000 0.997 243 S CA 0.849 59.045 58.200 -0.007 0.000 0.949 243 S CB -0.919 62.279 63.200 -0.004 0.000 0.766 243 S HN 0.267 nan 8.310 nan 0.000 0.517 244 c N 0.869 119.425 118.600 -0.074 0.000 2.754 244 c HA 0.478 5.047 4.570 -0.001 0.000 0.276 244 c C 0.094 173.662 174.090 -0.870 0.000 1.264 244 c CA -0.702 55.388 56.329 -0.399 0.000 1.700 244 c CB -1.589 40.679 42.510 -0.404 0.000 1.885 244 c HN 0.328 nan 8.230 nan 0.000 0.607 245 F N 0.048 119.928 119.950 -0.117 0.000 2.613 245 F HA 0.609 5.135 4.527 -0.001 0.000 0.314 245 F C 0.513 176.254 175.800 -0.098 0.000 1.075 245 F CA -0.811 57.081 58.000 -0.180 0.000 0.945 245 F CB 0.569 39.445 39.000 -0.206 0.000 1.310 245 F HN -0.029 nan 8.300 nan 0.000 0.467 246 A N 1.444 124.321 122.820 0.095 0.000 2.507 246 A HA 0.168 4.487 4.320 -0.001 0.000 0.235 246 A C 0.071 177.792 177.584 0.228 0.000 1.070 246 A CA -0.458 51.691 52.037 0.187 0.000 0.768 246 A CB -0.141 19.098 19.000 0.399 0.000 1.011 246 A HN 0.707 nan 8.150 nan 0.000 0.502 247 N N 1.818 120.632 118.700 0.190 0.000 2.359 247 N HA 0.067 4.807 4.740 -0.001 0.000 0.261 247 N C -0.154 175.501 175.510 0.242 0.000 1.267 247 N CA 1.101 54.255 53.050 0.174 0.000 0.864 247 N CB 0.183 38.755 38.487 0.142 0.000 1.063 247 N HN 0.574 nan 8.380 nan 0.000 0.474 248 D N -0.282 120.229 120.400 0.185 0.000 3.006 248 D HA -0.263 4.376 4.640 -0.001 0.000 0.205 248 D C -0.210 176.190 176.300 0.167 0.000 1.075 248 D CA 0.676 54.776 54.000 0.167 0.000 1.000 248 D CB -1.714 39.191 40.800 0.175 0.000 1.097 248 D HN 0.652 nan 8.370 nan 0.000 0.426 249 Y N 2.042 122.354 120.300 0.020 0.000 2.620 249 Y HA 0.317 4.867 4.550 -0.001 0.000 0.330 249 Y C -2.008 173.760 175.900 -0.220 0.000 1.186 249 Y CA -1.150 56.780 58.100 -0.283 0.000 1.467 249 Y CB 0.799 38.970 38.460 -0.482 0.000 1.262 249 Y HN -0.186 nan 8.280 nan 0.000 0.550 250 P HA 0.143 nan 4.420 nan 0.000 0.280 250 P C -0.836 176.105 177.300 -0.597 0.000 1.300 250 P CA 0.197 62.952 63.100 -0.576 0.000 0.785 250 P CB 0.294 31.702 31.700 -0.487 0.000 0.874 251 L N 6.345 127.393 121.223 -0.293 0.000 2.436 251 L HA 0.203 4.542 4.340 -0.001 0.000 0.265 251 L C -0.879 175.874 176.870 -0.195 0.000 1.168 251 L CA -1.860 52.845 54.840 -0.225 0.000 0.815 251 L CB 0.128 42.105 42.059 -0.137 0.000 1.109 251 L HN 0.189 nan 8.230 nan 0.000 0.462 252 P HA -0.201 nan 4.420 nan 0.000 0.216 252 P C 0.647 177.887 177.300 -0.100 0.000 1.150 252 P CA 1.287 64.311 63.100 -0.128 0.000 0.843 252 P CB -0.032 31.608 31.700 -0.100 0.000 0.787 253 D N -2.230 118.119 120.400 -0.084 0.000 2.349 253 D HA 0.069 4.708 4.640 -0.001 0.000 0.224 253 D C 1.444 177.707 176.300 -0.061 0.000 1.029 253 D CA 0.791 54.754 54.000 -0.062 0.000 0.879 253 D CB -0.846 39.926 40.800 -0.046 0.000 0.906 253 D HN 0.277 nan 8.370 nan 0.000 0.528 254 G N -0.529 108.224 108.800 -0.079 0.000 2.213 254 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.236 254 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.236 254 G C 0.214 175.077 174.900 -0.062 0.000 0.991 254 G CA 0.041 45.097 45.100 -0.073 0.000 0.629 254 G HN 0.359 nan 8.290 nan 0.000 0.517 255 E N 0.649 120.818 120.200 -0.053 0.000 2.376 255 E HA 0.620 4.969 4.350 -0.001 0.000 0.254 255 E C 0.094 176.671 176.600 -0.039 0.000 1.213 255 E CA -0.017 56.364 56.400 -0.032 0.000 0.945 255 E CB 0.855 30.548 29.700 -0.013 0.000 1.057 255 E HN 0.198 nan 8.360 nan 0.000 0.479 256 S N -0.491 115.204 115.700 -0.007 0.000 2.501 256 S HA 0.517 4.987 4.470 -0.001 0.000 0.301 256 S C 0.113 174.748 174.600 0.058 0.000 1.096 256 S CA -0.722 57.484 58.200 0.010 0.000 1.063 256 S CB 1.664 64.879 63.200 0.025 0.000 1.042 256 S HN 0.567 nan 8.310 nan 0.000 0.494 257 G N 0.798 109.663 108.800 0.107 0.000 2.414 257 G HA2 0.294 4.253 3.960 -0.001 0.000 0.236 257 G HA3 0.294 4.253 3.960 -0.001 0.000 0.236 257 G C -0.327 174.642 174.900 0.114 0.000 1.293 257 G CA 0.057 45.260 45.100 0.172 0.000 0.869 257 G HN 0.620 nan 8.290 nan 0.000 0.556 258 Q N 1.504 121.353 119.800 0.081 0.000 3.605 258 Q HA 0.373 4.712 4.340 -0.001 0.000 0.222 258 Q C 0.319 176.286 176.000 -0.056 0.000 0.915 258 Q CA -0.590 55.229 55.803 0.027 0.000 0.731 258 Q CB 0.376 29.135 28.738 0.036 0.000 1.423 258 Q HN 0.794 nan 8.270 nan 0.000 0.446 259 G N 1.788 110.510 108.800 -0.129 0.000 2.483 259 G HA2 0.270 4.229 3.960 -0.001 0.000 0.248 259 G HA3 0.270 4.229 3.960 -0.001 0.000 0.248 259 G C -0.393 174.224 174.900 -0.471 0.000 1.248 259 G CA -0.119 44.843 45.100 -0.230 0.000 0.838 259 G HN 0.527 nan 8.290 nan 0.000 0.566 260 N N 0.002 118.532 118.700 -0.282 0.000 2.655 260 N HA 0.394 5.133 4.740 -0.001 0.000 0.277 260 N C 0.742 176.199 175.510 -0.088 0.000 1.177 260 N CA 0.161 53.106 53.050 -0.176 0.000 0.882 260 N CB 1.334 39.806 38.487 -0.025 0.000 1.481 260 N HN 0.449 nan 8.380 nan 0.000 0.547 261 A N 4.434 127.215 122.820 -0.065 0.000 1.892 261 A HA -0.011 4.309 4.320 -0.001 0.000 0.218 261 A C -0.733 176.775 177.584 -0.126 0.000 1.188 261 A CA 1.688 53.661 52.037 -0.106 0.000 0.631 261 A CB -1.184 17.758 19.000 -0.097 0.000 0.822 261 A HN 0.651 nan 8.150 nan 0.000 0.447 262 P HA -0.097 nan 4.420 nan 0.000 0.216 262 P C 1.682 178.939 177.300 -0.071 0.000 1.150 262 P CA 1.795 64.832 63.100 -0.106 0.000 0.837 262 P CB -0.086 31.574 31.700 -0.067 0.000 0.786 263 S N -1.339 114.334 115.700 -0.046 0.000 2.357 263 S HA -0.161 4.308 4.470 -0.001 0.000 0.221 263 S C 2.104 176.681 174.600 -0.038 0.000 1.031 263 S CA 1.212 59.397 58.200 -0.026 0.000 0.982 263 S CB -1.443 61.752 63.200 -0.009 0.000 0.853 263 S HN 0.269 nan 8.310 nan 0.000 0.458 264 c N 2.393 120.947 118.600 -0.077 0.000 2.432 264 c HA -0.039 4.531 4.570 -0.001 0.000 0.277 264 c C 2.698 176.703 174.090 -0.142 0.000 1.249 264 c CA 1.236 57.495 56.329 -0.116 0.000 1.725 264 c CB -1.089 41.306 42.510 -0.191 0.000 2.028 264 c HN 0.588 nan 8.230 nan 0.000 0.477 265 K N 0.276 120.593 120.400 -0.139 0.000 2.044 265 K HA -0.196 4.123 4.320 -0.001 0.000 0.210 265 K C 2.005 178.565 176.600 -0.067 0.000 1.049 265 K CA 1.884 58.099 56.287 -0.119 0.000 0.927 265 K CB -0.379 32.042 32.500 -0.130 0.000 0.713 265 K HN 0.536 nan 8.250 nan 0.000 0.443 266 E N 0.761 120.936 120.200 -0.041 0.000 2.118 266 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 266 E C 1.919 178.534 176.600 0.026 0.000 0.992 266 E CA 1.476 57.872 56.400 -0.006 0.000 0.804 266 E CB -0.067 29.633 29.700 -0.000 0.000 0.741 266 E HN 0.518 nan 8.360 nan 0.000 0.458 267 E N 0.198 120.427 120.200 0.049 0.000 2.152 267 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 267 E C 2.210 178.959 176.600 0.248 0.000 0.983 267 E CA 0.576 57.071 56.400 0.157 0.000 0.818 267 E CB 0.148 29.980 29.700 0.220 0.000 0.758 267 E HN 0.007 nan 8.360 nan 0.000 0.467 268 V N 1.019 120.954 119.914 0.035 0.000 2.358 268 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 268 V C 2.233 178.353 176.094 0.044 0.000 1.047 268 V CA 2.002 64.281 62.300 -0.036 0.000 1.035 268 V CB -0.615 31.037 31.823 -0.285 0.000 0.658 268 V HN 0.313 nan 8.190 nan 0.000 0.452 269 T N 0.543 115.094 114.554 -0.005 0.000 2.759 269 T HA -0.214 4.135 4.350 -0.001 0.000 0.269 269 T C 2.158 176.869 174.700 0.017 0.000 1.042 269 T CA 1.963 64.051 62.100 -0.021 0.000 1.140 269 T CB -0.356 68.496 68.868 -0.026 0.000 0.864 269 T HN 0.745 nan 8.240 nan 0.000 0.455 270 S N 1.869 117.603 115.700 0.057 0.000 2.359 270 S HA -0.114 4.355 4.470 -0.001 0.000 0.224 270 S C 2.063 176.711 174.600 0.080 0.000 1.035 270 S CA 1.192 59.429 58.200 0.062 0.000 1.018 270 S CB -0.815 62.427 63.200 0.069 0.000 0.876 270 S HN 0.323 nan 8.310 nan 0.000 0.448 271 L N 1.248 122.556 121.223 0.143 0.000 2.012 271 L HA 0.034 4.374 4.340 -0.001 0.000 0.210 271 L C 2.593 179.575 176.870 0.186 0.000 1.073 271 L CA 2.027 56.976 54.840 0.181 0.000 0.748 271 L CB -0.740 41.498 42.059 0.298 0.000 0.891 271 L HN 0.381 nan 8.230 nan 0.000 0.431 272 M N -0.718 118.940 119.600 0.098 0.000 2.086 272 M HA -0.178 4.301 4.480 -0.001 0.000 0.261 272 M C 1.686 177.969 176.300 -0.027 0.000 1.067 272 M CA 1.810 57.101 55.300 -0.015 0.000 1.116 272 M CB -0.430 32.070 32.600 -0.166 0.000 1.348 272 M HN 0.327 nan 8.290 nan 0.000 0.407 273 N N -0.732 117.956 118.700 -0.020 0.000 2.409 273 N HA 0.050 4.789 4.740 -0.001 0.000 0.174 273 N C 1.588 177.105 175.510 0.011 0.000 1.037 273 N CA 0.818 53.856 53.050 -0.021 0.000 0.898 273 N CB 0.098 38.566 38.487 -0.031 0.000 1.010 273 N HN 0.141 nan 8.380 nan 0.000 0.445 274 S N -0.314 115.399 115.700 0.021 0.000 2.439 274 S HA 0.118 4.587 4.470 -0.001 0.000 0.224 274 S C 2.002 176.607 174.600 0.009 0.000 1.029 274 S CA 0.172 58.383 58.200 0.018 0.000 0.946 274 S CB 0.445 63.655 63.200 0.017 0.000 0.797 274 S HN 0.010 nan 8.310 nan 0.000 0.504 275 V N 0.999 120.915 119.914 0.003 0.000 2.403 275 V HA 0.027 4.146 4.120 -0.001 0.000 0.239 275 V C 1.791 177.817 176.094 -0.113 0.000 1.041 275 V CA 0.981 63.234 62.300 -0.079 0.000 1.051 275 V CB -0.521 31.220 31.823 -0.136 0.000 0.704 275 V HN 0.487 nan 8.190 nan 0.000 0.472 276 H N 0.473 119.569 119.070 0.044 0.000 2.548 276 H HA 0.104 4.659 4.556 -0.002 0.000 0.268 276 H C 0.758 176.140 175.328 0.090 0.000 0.975 276 H CA 0.412 56.514 56.048 0.089 0.000 1.195 276 H CB 0.116 29.877 29.762 -0.003 0.000 1.397 276 H HN 0.384 nan 8.280 nan 0.000 0.572 277 K N -0.111 120.352 120.400 0.105 0.000 3.071 277 K HA -0.162 4.157 4.320 -0.001 0.000 0.265 277 K C 1.141 177.771 176.600 0.050 0.000 1.060 277 K CA 0.313 56.650 56.287 0.083 0.000 0.767 277 K CB -1.711 30.866 32.500 0.129 0.000 1.241 277 K HN 0.026 nan 8.250 nan 0.000 0.486 278 V N 0.433 120.261 119.914 -0.143 0.000 2.255 278 V HA -0.351 3.768 4.120 -0.001 0.000 0.247 278 V C 2.371 178.432 176.094 -0.054 0.000 1.051 278 V CA 2.352 64.467 62.300 -0.308 0.000 1.018 278 V CB -0.389 31.058 31.823 -0.627 0.000 0.641 278 V HN 0.645 nan 8.190 nan 0.000 0.445 279 N N -0.151 118.514 118.700 -0.058 0.000 2.084 279 N HA -0.262 4.477 4.740 -0.001 0.000 0.190 279 N C 2.094 177.620 175.510 0.028 0.000 1.030 279 N CA 2.017 55.060 53.050 -0.013 0.000 0.849 279 N CB -0.100 38.367 38.487 -0.034 0.000 1.012 279 N HN 0.668 nan 8.380 nan 0.000 0.423 280 Q N 0.370 120.191 119.800 0.035 0.000 2.112 280 Q HA -0.207 4.133 4.340 -0.001 0.000 0.206 280 Q C 1.759 177.807 176.000 0.080 0.000 0.987 280 Q CA 1.635 57.469 55.803 0.053 0.000 0.858 280 Q CB 0.055 28.830 28.738 0.060 0.000 0.905 280 Q HN 0.553 nan 8.270 nan 0.000 0.420 281 Q N -0.720 119.151 119.800 0.117 0.000 2.165 281 Q HA -0.014 4.326 4.340 -0.001 0.000 0.197 281 Q C 2.082 178.168 176.000 0.143 0.000 0.952 281 Q CA 0.632 56.534 55.803 0.165 0.000 0.848 281 Q CB 0.351 29.237 28.738 0.247 0.000 0.931 281 Q HN 0.396 nan 8.270 nan 0.000 0.470 282 I N 0.575 121.235 120.570 0.151 0.000 2.429 282 I HA -0.148 4.022 4.170 -0.001 0.000 0.247 282 I C 2.409 178.576 176.117 0.084 0.000 1.099 282 I CA 0.969 62.368 61.300 0.166 0.000 1.422 282 I CB -1.151 37.013 38.000 0.273 0.000 1.112 282 I HN 0.268 nan 8.210 nan 0.000 0.430 283 Q N 1.536 121.375 119.800 0.065 0.000 2.061 283 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 283 Q C -0.497 175.499 176.000 -0.006 0.000 0.984 283 Q CA 2.113 57.931 55.803 0.024 0.000 0.846 283 Q CB -1.215 27.532 28.738 0.015 0.000 0.902 283 Q HN 0.271 nan 8.270 nan 0.000 0.421 284 P HA -0.117 nan 4.420 nan 0.000 0.216 284 P C 1.434 178.713 177.300 -0.035 0.000 1.150 284 P CA 1.149 64.240 63.100 -0.014 0.000 0.837 284 P CB -0.193 31.505 31.700 -0.003 0.000 0.786 285 L N -1.703 119.492 121.223 -0.047 0.000 2.109 285 L HA -0.090 4.250 4.340 -0.001 0.000 0.207 285 L C 2.508 179.330 176.870 -0.080 0.000 1.086 285 L CA 0.986 55.788 54.840 -0.063 0.000 0.760 285 L CB -0.834 41.120 42.059 -0.176 0.000 0.910 285 L HN -0.035 nan 8.230 nan 0.000 0.437 286 L N -0.211 120.910 121.223 -0.170 0.000 2.083 286 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 286 L C 2.852 179.603 176.870 -0.199 0.000 1.083 286 L CA 1.154 55.770 54.840 -0.373 0.000 0.752 286 L CB -0.449 41.435 42.059 -0.292 0.000 0.899 286 L HN 0.265 nan 8.230 nan 0.000 0.433 287 A N -0.049 122.709 122.820 -0.104 0.000 1.908 287 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 287 A C 2.107 179.654 177.584 -0.063 0.000 1.181 287 A CA 1.579 53.576 52.037 -0.066 0.000 0.627 287 A CB -0.635 18.341 19.000 -0.040 0.000 0.818 287 A HN 0.433 nan 8.150 nan 0.000 0.445 288 L N -1.420 119.768 121.223 -0.058 0.000 2.418 288 L HA 0.003 4.342 4.340 -0.001 0.000 0.218 288 L C -0.050 176.795 176.870 -0.041 0.000 1.125 288 L CA 0.543 55.359 54.840 -0.040 0.000 0.835 288 L CB -0.194 41.850 42.059 -0.026 0.000 0.953 288 L HN 0.357 nan 8.230 nan 0.000 0.454 289 N N -0.356 118.304 118.700 -0.068 0.000 2.765 289 N HA 0.183 4.922 4.740 -0.001 0.000 0.277 289 N C -2.599 172.817 175.510 -0.156 0.000 1.750 289 N CA -1.088 51.926 53.050 -0.060 0.000 0.827 289 N CB 0.632 39.152 38.487 0.055 0.000 1.200 289 N HN -0.061 nan 8.380 nan 0.000 0.494 290 P HA -0.021 nan 4.420 nan 0.000 0.265 290 P C -0.117 177.062 177.300 -0.202 0.000 1.193 290 P CA 0.020 63.026 63.100 -0.157 0.000 0.765 290 P CB 1.141 32.786 31.700 -0.091 0.000 0.823 291 V N 4.099 123.823 119.914 -0.316 0.000 2.509 291 V HA 0.069 4.188 4.120 -0.001 0.000 0.284 291 V C 1.541 177.449 176.094 -0.310 0.000 1.047 291 V CA 0.074 62.108 62.300 -0.444 0.000 0.952 291 V CB 0.600 31.790 31.823 -1.056 0.000 0.988 291 V HN 0.507 nan 8.190 nan 0.000 0.469 292 N N 2.627 121.199 118.700 -0.214 0.000 2.368 292 N HA 0.083 4.822 4.740 -0.001 0.000 0.176 292 N C -0.078 175.377 175.510 -0.092 0.000 1.021 292 N CA 0.518 53.498 53.050 -0.115 0.000 0.888 292 N CB 0.412 38.862 38.487 -0.061 0.000 0.995 292 N HN 0.697 nan 8.380 nan 0.000 0.437 293 E N -0.767 119.354 120.200 -0.132 0.000 2.275 293 E HA 0.194 4.543 4.350 -0.001 0.000 0.270 293 E C -1.490 175.084 176.600 -0.044 0.000 0.882 293 E CA -0.488 55.910 56.400 -0.004 0.000 0.758 293 E CB 1.561 31.323 29.700 0.104 0.000 1.195 293 E HN 0.114 nan 8.360 nan 0.000 0.419 294 W N 2.175 123.553 121.300 0.129 0.000 2.433 294 W HA 0.389 5.048 4.660 -0.002 0.000 0.315 294 W C -0.607 175.933 176.519 0.035 0.000 1.087 294 W CA -0.459 56.954 57.345 0.113 0.000 1.205 294 W CB 0.981 30.457 29.460 0.027 0.000 1.288 294 W HN 0.463 nan 8.180 nan 0.000 0.504 295 Y N 2.239 122.775 120.300 0.394 0.000 2.376 295 Y HA 0.428 4.977 4.550 -0.002 0.000 0.340 295 Y C 0.398 176.438 175.900 0.232 0.000 0.965 295 Y CA -0.817 57.432 58.100 0.248 0.000 1.078 295 Y CB 2.003 40.526 38.460 0.105 0.000 1.193 295 Y HN 0.301 nan 8.280 nan 0.000 0.452 296 S N 4.332 120.186 115.700 0.256 0.000 2.532 296 S HA 0.891 5.360 4.470 -0.001 0.000 0.301 296 S C -0.725 173.967 174.600 0.154 0.000 1.083 296 S CA -0.709 57.585 58.200 0.156 0.000 1.025 296 S CB 1.446 64.649 63.200 0.005 0.000 1.056 296 S HN 0.665 nan 8.310 nan 0.000 0.494 297 I N -1.550 119.092 120.570 0.119 0.000 3.206 297 I HA 0.960 5.129 4.170 -0.001 0.000 0.313 297 I C 0.539 176.689 176.117 0.056 0.000 1.103 297 I CA -0.755 60.610 61.300 0.107 0.000 0.985 297 I CB 1.296 39.381 38.000 0.141 0.000 1.240 297 I HN 1.138 nan 8.210 nan 0.000 0.464 298 G N 1.160 109.996 108.800 0.060 0.000 2.508 298 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.220 298 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.220 298 G C 0.542 175.434 174.900 -0.013 0.000 1.287 298 G CA 0.023 45.152 45.100 0.048 0.000 0.916 298 G HN 1.420 nan 8.290 nan 0.000 0.574 299 G N -0.312 108.495 108.800 0.012 0.000 2.432 299 G HA2 0.065 4.025 3.960 -0.001 0.000 0.219 299 G HA3 0.065 4.025 3.960 -0.001 0.000 0.219 299 G C 1.920 176.745 174.900 -0.125 0.000 1.135 299 G CA 1.633 46.731 45.100 -0.003 0.000 0.767 299 G HN 1.235 nan 8.290 nan 0.000 0.550 300 I N 0.709 121.057 120.570 -0.370 0.000 2.335 300 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 300 I C 2.679 178.428 176.117 -0.613 0.000 1.129 300 I CA 1.323 62.138 61.300 -0.808 0.000 1.402 300 I CB 0.060 37.362 38.000 -1.163 0.000 1.069 300 I HN 0.117 nan 8.210 nan 0.000 0.424 301 S N 1.092 116.556 115.700 -0.393 0.000 2.399 301 S HA -0.135 4.334 4.470 -0.001 0.000 0.231 301 S C 1.663 176.088 174.600 -0.292 0.000 1.022 301 S CA 1.338 59.336 58.200 -0.338 0.000 0.983 301 S CB -0.435 62.761 63.200 -0.007 0.000 0.803 301 S HN 0.577 nan 8.310 nan 0.000 0.480 302 N N 1.487 120.063 118.700 -0.207 0.000 2.135 302 N HA 0.011 4.750 4.740 -0.001 0.000 0.186 302 N C 1.846 177.253 175.510 -0.171 0.000 1.027 302 N CA 0.753 53.718 53.050 -0.143 0.000 0.849 302 N CB -0.424 37.975 38.487 -0.147 0.000 1.002 302 N HN 0.315 nan 8.380 nan 0.000 0.425 303 L N 1.301 122.370 121.223 -0.255 0.000 2.046 303 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 303 L C 2.263 178.851 176.870 -0.469 0.000 1.077 303 L CA 1.402 56.004 54.840 -0.396 0.000 0.747 303 L CB -0.301 41.500 42.059 -0.431 0.000 0.896 303 L HN 0.060 nan 8.230 nan 0.000 0.432 304 A N -1.440 121.050 122.820 -0.550 0.000 2.015 304 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 304 A C 2.214 179.741 177.584 -0.094 0.000 1.163 304 A CA 1.679 53.441 52.037 -0.459 0.000 0.646 304 A CB -0.474 17.732 19.000 -1.324 0.000 0.806 304 A HN 0.510 nan 8.150 nan 0.000 0.448 305 S N 0.270 115.898 115.700 -0.121 0.000 2.593 305 S HA 0.081 4.550 4.470 -0.001 0.000 0.217 305 S C 1.040 175.694 174.600 0.091 0.000 0.966 305 S CA 0.353 58.599 58.200 0.075 0.000 0.914 305 S CB -0.302 62.950 63.200 0.087 0.000 0.776 305 S HN 0.763 nan 8.310 nan 0.000 0.523 306 S N 0.952 116.689 115.700 0.060 0.000 2.600 306 S HA 0.396 4.865 4.470 -0.001 0.000 0.265 306 S C 1.338 175.997 174.600 0.098 0.000 1.325 306 S CA 0.073 58.338 58.200 0.108 0.000 1.002 306 S CB 0.693 63.970 63.200 0.128 0.000 0.921 306 S HN 0.403 nan 8.310 nan 0.000 0.554 307 Q N 0.291 120.166 119.800 0.125 0.000 2.224 307 Q HA 0.046 4.386 4.340 -0.001 0.000 0.203 307 Q C 1.975 177.974 176.000 -0.002 0.000 0.970 307 Q CA 1.483 57.376 55.803 0.150 0.000 0.865 307 Q CB -0.981 27.934 28.738 0.294 0.000 0.922 307 Q HN 0.809 nan 8.270 nan 0.000 0.445 308 L N -1.016 120.069 121.223 -0.229 0.000 2.044 308 L HA 0.250 4.590 4.340 -0.001 0.000 0.205 308 L C 0.365 176.757 176.870 -0.798 0.000 1.075 308 L CA 0.987 55.484 54.840 -0.571 0.000 0.747 308 L CB -0.226 41.433 42.059 -0.667 0.000 0.903 308 L HN 0.422 nan 8.230 nan 0.000 0.435 309 F N 0.120 119.727 119.950 -0.571 0.000 2.375 309 F HA 0.281 4.808 4.527 -0.001 0.000 0.333 309 F C 0.299 175.639 175.800 -0.766 0.000 1.104 309 F CA -0.341 57.256 58.000 -0.672 0.000 1.149 309 F CB 0.534 39.295 39.000 -0.398 0.000 1.190 309 F HN 0.004 nan 8.300 nan 0.000 0.533 310 H N 4.276 123.111 119.070 -0.393 0.000 2.685 310 H HA 0.359 4.914 4.556 -0.001 0.000 0.307 310 H C -1.168 173.842 175.328 -0.531 0.000 1.017 310 H CA -0.689 55.173 56.048 -0.309 0.000 1.237 310 H CB 0.474 30.115 29.762 -0.201 0.000 1.409 310 H HN 0.366 nan 8.280 nan 0.000 0.488 311 F N 1.052 121.126 119.950 0.207 0.000 2.576 311 F HA 0.335 4.861 4.527 -0.001 0.000 0.313 311 F C 0.365 176.257 175.800 0.153 0.000 1.078 311 F CA -0.906 57.198 58.000 0.172 0.000 0.921 311 F CB 2.020 41.140 39.000 0.200 0.000 1.232 311 F HN 0.314 nan 8.300 nan 0.000 0.459 312 E N 0.503 120.886 120.200 0.305 0.000 2.249 312 E HA 0.452 4.801 4.350 -0.001 0.000 0.263 312 E C -0.397 176.261 176.600 0.097 0.000 0.950 312 E CA -0.768 55.732 56.400 0.166 0.000 0.827 312 E CB 0.752 30.518 29.700 0.110 0.000 1.220 312 E HN 0.514 nan 8.360 nan 0.000 0.411 313 N N 0.623 119.347 118.700 0.040 0.000 2.741 313 N HA -0.245 4.494 4.740 -0.001 0.000 0.251 313 N C -0.593 174.845 175.510 -0.121 0.000 1.112 313 N CA 1.126 54.165 53.050 -0.017 0.000 0.750 313 N CB -1.359 37.121 38.487 -0.012 0.000 1.119 313 N HN 0.507 nan 8.380 nan 0.000 0.561 314 S N -0.506 115.070 115.700 -0.206 0.000 3.559 314 S HA -0.251 4.218 4.470 -0.001 0.000 0.369 314 S C 0.098 174.119 174.600 -0.966 0.000 0.987 314 S CA 1.804 59.568 58.200 -0.725 0.000 1.187 314 S CB -0.896 61.998 63.200 -0.510 0.000 0.914 314 S HN 0.789 nan 8.310 nan 0.000 0.480 315 E N -0.399 119.521 120.200 -0.467 0.000 2.449 315 E HA 0.735 5.084 4.350 -0.001 0.000 0.278 315 E C -0.737 175.797 176.600 -0.109 0.000 0.992 315 E CA -1.275 54.931 56.400 -0.324 0.000 0.807 315 E CB 1.101 30.538 29.700 -0.438 0.000 1.350 315 E HN 0.363 nan 8.360 nan 0.000 0.462 316 L N -2.007 119.078 121.223 -0.230 0.000 2.479 316 L HA 0.757 5.097 4.340 -0.001 0.000 0.255 316 L C -0.581 176.177 176.870 -0.187 0.000 1.026 316 L CA -0.585 54.051 54.840 -0.340 0.000 0.842 316 L CB 1.691 43.122 42.059 -1.047 0.000 1.444 316 L HN 0.755 nan 8.230 nan 0.000 0.409 317 T N -2.894 111.628 114.554 -0.053 0.000 2.918 317 T HA 0.459 4.808 4.350 -0.001 0.000 0.286 317 T C 0.399 175.093 174.700 -0.009 0.000 1.026 317 T CA -0.328 61.749 62.100 -0.037 0.000 1.031 317 T CB 1.303 70.185 68.868 0.023 0.000 1.046 317 T HN 0.719 nan 8.240 nan 0.000 0.479 318 N N 0.344 119.012 118.700 -0.053 0.000 2.166 318 N HA -0.144 4.596 4.740 -0.001 0.000 0.186 318 N C 1.984 177.654 175.510 0.266 0.000 1.019 318 N CA 0.794 53.846 53.050 0.004 0.000 0.856 318 N CB -0.129 38.172 38.487 -0.309 0.000 0.993 318 N HN 0.640 nan 8.380 nan 0.000 0.426 319 Q N 0.663 120.590 119.800 0.212 0.000 2.061 319 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 319 Q C 2.000 178.114 176.000 0.190 0.000 0.984 319 Q CA 1.575 57.519 55.803 0.235 0.000 0.846 319 Q CB -0.452 28.371 28.738 0.142 0.000 0.902 319 Q HN 0.327 nan 8.270 nan 0.000 0.421 320 S N -0.025 115.793 115.700 0.197 0.000 2.368 320 S HA -0.122 4.347 4.470 -0.001 0.000 0.224 320 S C 2.014 176.802 174.600 0.313 0.000 1.029 320 S CA 0.994 59.334 58.200 0.233 0.000 0.988 320 S CB -0.306 63.071 63.200 0.295 0.000 0.838 320 S HN 0.392 nan 8.310 nan 0.000 0.462 321 L N 1.391 122.842 121.223 0.381 0.000 1.989 321 L HA 0.004 4.343 4.340 -0.001 0.000 0.211 321 L C 2.174 179.220 176.870 0.294 0.000 1.071 321 L CA 1.827 56.910 54.840 0.406 0.000 0.749 321 L CB -0.925 41.250 42.059 0.194 0.000 0.890 321 L HN 0.423 nan 8.230 nan 0.000 0.431 322 L N -0.594 120.745 121.223 0.194 0.000 2.046 322 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 322 L C 2.642 179.528 176.870 0.026 0.000 1.077 322 L CA 2.052 56.902 54.840 0.017 0.000 0.747 322 L CB -0.802 41.075 42.059 -0.305 0.000 0.896 322 L HN 0.568 nan 8.230 nan 0.000 0.432 323 Q N -1.020 118.812 119.800 0.054 0.000 2.050 323 Q HA -0.266 4.074 4.340 -0.001 0.000 0.202 323 Q C 2.166 178.188 176.000 0.036 0.000 0.980 323 Q CA 2.070 57.893 55.803 0.034 0.000 0.840 323 Q CB -0.123 28.638 28.738 0.039 0.000 0.898 323 Q HN 0.659 nan 8.270 nan 0.000 0.424 324 Q N -0.746 119.096 119.800 0.071 0.000 2.084 324 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 324 Q C 2.052 178.007 176.000 -0.076 0.000 0.978 324 Q CA 1.219 57.006 55.803 -0.027 0.000 0.844 324 Q CB -0.263 28.452 28.738 -0.039 0.000 0.898 324 Q HN 0.543 nan 8.270 nan 0.000 0.426 325 G N 0.988 109.877 108.800 0.148 0.000 2.421 325 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.216 325 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.216 325 G C 0.994 175.915 174.900 0.035 0.000 1.171 325 G CA 1.189 46.372 45.100 0.138 0.000 0.775 325 G HN 0.295 nan 8.290 nan 0.000 0.543 326 D N 0.468 120.891 120.400 0.039 0.000 2.097 326 D HA -0.091 4.549 4.640 -0.001 0.000 0.195 326 D C 2.310 178.680 176.300 0.118 0.000 0.989 326 D CA 1.012 55.057 54.000 0.074 0.000 0.827 326 D CB -0.119 40.721 40.800 0.065 0.000 0.966 326 D HN 0.142 nan 8.370 nan 0.000 0.456 327 N N -0.430 118.298 118.700 0.046 0.000 2.207 327 N HA -0.058 4.682 4.740 -0.001 0.000 0.182 327 N C 1.622 177.143 175.510 0.019 0.000 1.020 327 N CA 0.731 53.801 53.050 0.034 0.000 0.858 327 N CB -0.071 38.412 38.487 -0.007 0.000 0.991 327 N HN 0.276 nan 8.380 nan 0.000 0.427 328 Q N -0.294 119.473 119.800 -0.054 0.000 2.376 328 Q HA 0.201 4.540 4.340 -0.001 0.000 0.206 328 Q C 1.467 177.447 176.000 -0.033 0.000 0.921 328 Q CA 0.461 56.212 55.803 -0.087 0.000 0.911 328 Q CB 0.858 29.444 28.738 -0.252 0.000 1.032 328 Q HN 0.404 nan 8.270 nan 0.000 0.510 329 I N -1.797 118.769 120.570 -0.008 0.000 3.650 329 I HA -0.042 4.127 4.170 -0.001 0.000 0.261 329 I C 2.082 178.238 176.117 0.066 0.000 1.154 329 I CA 0.251 61.590 61.300 0.065 0.000 1.418 329 I CB -1.082 36.964 38.000 0.077 0.000 1.539 329 I HN 0.023 nan 8.210 nan 0.000 0.449 330 c N 1.475 120.078 118.600 0.005 0.000 2.393 330 c HA -0.180 4.389 4.570 -0.001 0.000 0.276 330 c C 2.414 176.415 174.090 -0.148 0.000 1.215 330 c CA 0.830 57.101 56.329 -0.095 0.000 1.743 330 c CB -1.470 40.948 42.510 -0.152 0.000 2.044 330 c HN 0.450 nan 8.230 nan 0.000 0.464 331 H N -0.325 118.767 119.070 0.036 0.000 2.538 331 H HA 0.172 4.727 4.556 -0.001 0.000 0.286 331 H C 0.581 175.947 175.328 0.065 0.000 1.035 331 H CA 0.239 56.314 56.048 0.046 0.000 1.169 331 H CB -0.094 29.682 29.762 0.023 0.000 1.417 331 H HN 0.511 nan 8.280 nan 0.000 0.567 332 Q N 1.304 121.198 119.800 0.156 0.000 2.230 332 Q HA 0.106 4.445 4.340 -0.001 0.000 0.253 332 Q C -0.097 176.012 176.000 0.182 0.000 0.919 332 Q CA -0.612 55.282 55.803 0.151 0.000 0.908 332 Q CB 1.074 29.893 28.738 0.136 0.000 1.245 332 Q HN 0.074 nan 8.270 nan 0.000 0.437 333 Q N 4.107 123.999 119.800 0.153 0.000 2.271 333 Q HA -0.076 4.263 4.340 -0.001 0.000 0.273 333 Q C 0.112 176.239 176.000 0.211 0.000 1.051 333 Q CA 0.247 56.151 55.803 0.169 0.000 0.901 333 Q CB 0.238 29.040 28.738 0.107 0.000 1.174 333 Q HN 1.036 nan 8.270 nan 0.000 0.385 334 W N 5.631 127.002 121.300 0.118 0.000 2.355 334 W HA -0.202 4.457 4.660 -0.001 0.000 0.309 334 W C 0.519 177.117 176.519 0.132 0.000 1.206 334 W CA 1.545 58.985 57.345 0.158 0.000 1.284 334 W CB 0.278 29.877 29.460 0.232 0.000 1.145 334 W HN 0.694 nan 8.180 nan 0.000 0.502 335 D N 0.865 121.193 120.400 -0.120 0.000 2.117 335 D HA -0.215 4.424 4.640 -0.001 0.000 0.197 335 D C 2.138 178.283 176.300 -0.258 0.000 0.987 335 D CA 2.031 55.873 54.000 -0.263 0.000 0.829 335 D CB -0.400 40.371 40.800 -0.047 0.000 0.961 335 D HN 0.298 nan 8.370 nan 0.000 0.460 336 I N 0.667 121.156 120.570 -0.135 0.000 2.179 336 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 336 I C 2.502 178.539 176.117 -0.133 0.000 1.088 336 I CA 0.473 61.713 61.300 -0.100 0.000 1.357 336 I CB -0.156 37.826 38.000 -0.030 0.000 1.051 336 I HN -0.019 nan 8.210 nan 0.000 0.409 337 L N 1.360 122.500 121.223 -0.137 0.000 2.012 337 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 337 L C 2.188 178.932 176.870 -0.211 0.000 1.073 337 L CA 2.078 56.870 54.840 -0.079 0.000 0.748 337 L CB -0.944 41.126 42.059 0.018 0.000 0.891 337 L HN 0.237 nan 8.230 nan 0.000 0.431 338 N N -0.328 117.975 118.700 -0.660 0.000 2.149 338 N HA -0.150 4.589 4.740 -0.001 0.000 0.188 338 N C 1.882 177.231 175.510 -0.269 0.000 1.019 338 N CA 1.605 54.266 53.050 -0.648 0.000 0.857 338 N CB -0.643 37.194 38.487 -1.083 0.000 0.997 338 N HN 0.460 nan 8.380 nan 0.000 0.426 339 G N -0.503 108.152 108.800 -0.241 0.000 2.450 339 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 339 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 339 G C 1.438 176.254 174.900 -0.140 0.000 1.130 339 G CA 0.694 45.705 45.100 -0.150 0.000 0.760 339 G HN 0.451 nan 8.290 nan 0.000 0.557 340 Q N -1.251 118.449 119.800 -0.166 0.000 2.269 340 Q HA 0.087 4.426 4.340 -0.001 0.000 0.201 340 Q C -0.012 175.692 176.000 -0.494 0.000 0.946 340 Q CA 0.534 56.147 55.803 -0.317 0.000 0.877 340 Q CB 0.287 28.809 28.738 -0.360 0.000 0.963 340 Q HN 0.634 nan 8.270 nan 0.000 0.472 341 Y N -0.603 119.677 120.300 -0.034 0.000 2.562 341 Y HA 0.270 4.820 4.550 -0.001 0.000 0.363 341 Y C -1.963 173.946 175.900 0.015 0.000 0.991 341 Y CA -2.098 56.012 58.100 0.016 0.000 1.121 341 Y CB 1.030 39.526 38.460 0.059 0.000 1.159 341 Y HN 0.092 nan 8.280 nan 0.000 0.651 342 P HA -0.002 nan 4.420 nan 0.000 0.236 342 P C 0.402 177.763 177.300 0.102 0.000 1.177 342 P CA 1.148 64.286 63.100 0.064 0.000 0.773 342 P CB 0.549 32.259 31.700 0.016 0.000 0.878 343 D N -1.597 118.883 120.400 0.133 0.000 2.398 343 D HA 0.014 4.653 4.640 -0.001 0.000 0.210 343 D C 0.085 176.487 176.300 0.170 0.000 1.094 343 D CA 0.383 54.463 54.000 0.134 0.000 0.839 343 D CB 0.052 40.921 40.800 0.116 0.000 0.963 343 D HN 0.101 nan 8.370 nan 0.000 0.506 344 D N 1.376 121.901 120.400 0.208 0.000 2.380 344 D HA 0.061 4.700 4.640 -0.001 0.000 0.230 344 D C 0.834 177.256 176.300 0.203 0.000 1.154 344 D CA -0.047 54.088 54.000 0.226 0.000 0.859 344 D CB 0.910 41.859 40.800 0.248 0.000 1.045 344 D HN -0.021 nan 8.370 nan 0.000 0.495 345 E N 2.372 122.697 120.200 0.208 0.000 2.418 345 E HA -0.147 4.202 4.350 -0.001 0.000 0.197 345 E C 0.479 177.117 176.600 0.063 0.000 1.026 345 E CA 0.562 57.042 56.400 0.134 0.000 0.862 345 E CB 0.243 29.982 29.700 0.066 0.000 0.799 345 E HN 0.630 nan 8.360 nan 0.000 0.518 346 Y N -0.344 119.957 120.300 0.001 0.000 2.457 346 Y HA 0.033 4.582 4.550 -0.001 0.000 0.263 346 Y C 1.802 177.271 175.900 -0.717 0.000 1.164 346 Y CA -0.355 57.601 58.100 -0.239 0.000 1.274 346 Y CB 0.313 38.669 38.460 -0.174 0.000 1.097 346 Y HN 0.040 nan 8.280 nan 0.000 0.523 347 L N 0.471 121.480 121.223 -0.356 0.000 2.013 347 L HA -0.288 4.051 4.340 -0.001 0.000 0.212 347 L C 2.410 179.189 176.870 -0.152 0.000 1.073 347 L CA 2.101 56.697 54.840 -0.407 0.000 0.753 347 L CB -0.926 41.208 42.059 0.125 0.000 0.890 347 L HN 0.500 nan 8.230 nan 0.000 0.432 348 Y N -1.436 118.831 120.300 -0.054 0.000 2.403 348 Y HA -0.123 4.426 4.550 -0.001 0.000 0.291 348 Y C 2.051 177.766 175.900 -0.308 0.000 1.143 348 Y CA 1.162 59.072 58.100 -0.316 0.000 1.257 348 Y CB -0.814 37.318 38.460 -0.547 0.000 0.984 348 Y HN 0.340 nan 8.280 nan 0.000 0.550 349 Q N -0.879 118.369 119.800 -0.921 0.000 2.360 349 Q HA -0.000 4.339 4.340 -0.001 0.000 0.202 349 Q C 0.758 176.561 176.000 -0.328 0.000 0.915 349 Q CA -0.100 55.248 55.803 -0.758 0.000 0.943 349 Q CB 0.029 28.318 28.738 -0.749 0.000 1.064 349 Q HN 0.568 nan 8.270 nan 0.000 0.511 350 Y N -0.681 119.507 120.300 -0.186 0.000 2.439 350 Y HA -0.212 4.337 4.550 -0.001 0.000 0.292 350 Y C 2.327 178.191 175.900 -0.060 0.000 1.130 350 Y CA -0.276 57.812 58.100 -0.020 0.000 1.254 350 Y CB -0.801 37.783 38.460 0.206 0.000 1.000 350 Y HN 0.290 nan 8.280 nan 0.000 0.554 351 c N -0.411 118.158 118.600 -0.052 0.000 2.453 351 c HA -0.120 4.449 4.570 -0.001 0.000 0.277 351 c C 2.805 176.721 174.090 -0.290 0.000 1.262 351 c CA 0.733 56.966 56.329 -0.159 0.000 1.718 351 c CB -1.388 40.972 42.510 -0.250 0.000 2.031 351 c HN 0.519 nan 8.230 nan 0.000 0.480 352 L N 0.906 121.828 121.223 -0.503 0.000 2.017 352 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 352 L C 2.276 178.906 176.870 -0.401 0.000 1.073 352 L CA 2.054 56.566 54.840 -0.546 0.000 0.745 352 L CB -0.792 40.830 42.059 -0.727 0.000 0.894 352 L HN 0.395 nan 8.230 nan 0.000 0.432 353 L N -0.825 120.195 121.223 -0.338 0.000 2.072 353 L HA -0.124 4.215 4.340 -0.001 0.000 0.205 353 L C 2.692 179.290 176.870 -0.455 0.000 1.079 353 L CA 1.211 55.784 54.840 -0.445 0.000 0.752 353 L CB -0.734 41.139 42.059 -0.310 0.000 0.906 353 L HN 0.499 nan 8.230 nan 0.000 0.436 354 S N -1.149 114.453 115.700 -0.163 0.000 2.368 354 S HA -0.175 4.294 4.470 -0.001 0.000 0.225 354 S C 2.107 176.678 174.600 -0.047 0.000 1.030 354 S CA 1.454 59.635 58.200 -0.031 0.000 0.999 354 S CB -0.496 62.776 63.200 0.120 0.000 0.844 354 S HN 0.296 nan 8.310 nan 0.000 0.459 355 S N 1.031 116.657 115.700 -0.123 0.000 2.368 355 S HA -0.074 4.396 4.470 -0.001 0.000 0.225 355 S C 1.583 176.106 174.600 -0.129 0.000 1.030 355 S CA 1.389 59.503 58.200 -0.142 0.000 0.999 355 S CB -0.677 62.398 63.200 -0.209 0.000 0.844 355 S HN 0.754 nan 8.310 nan 0.000 0.459 356 Y N 1.219 121.300 120.300 -0.365 0.000 2.200 356 Y HA -0.193 4.357 4.550 -0.001 0.000 0.290 356 Y C 1.936 177.670 175.900 -0.276 0.000 1.137 356 Y CA 1.340 59.199 58.100 -0.402 0.000 1.163 356 Y CB -0.619 37.514 38.460 -0.545 0.000 0.988 356 Y HN 0.184 nan 8.280 nan 0.000 0.518 357 Y N -0.932 119.166 120.300 -0.336 0.000 2.181 357 Y HA -0.254 4.295 4.550 -0.001 0.000 0.288 357 Y C 2.511 178.194 175.900 -0.362 0.000 1.146 357 Y CA 1.486 59.317 58.100 -0.448 0.000 1.164 357 Y CB -1.608 36.693 38.460 -0.265 0.000 0.982 357 Y HN 0.349 nan 8.280 nan 0.000 0.515 358 Y N 0.163 120.363 120.300 -0.167 0.000 2.145 358 Y HA -0.213 4.336 4.550 -0.001 0.000 0.286 358 Y C 2.536 178.288 175.900 -0.246 0.000 1.145 358 Y CA 1.495 59.488 58.100 -0.179 0.000 1.148 358 Y CB -0.495 37.894 38.460 -0.119 0.000 0.981 358 Y HN 0.055 nan 8.280 nan 0.000 0.507 359 A N 0.024 122.833 122.820 -0.018 0.000 1.908 359 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 359 A C 2.137 179.509 177.584 -0.353 0.000 1.181 359 A CA 1.938 53.893 52.037 -0.136 0.000 0.627 359 A CB -1.218 17.689 19.000 -0.155 0.000 0.818 359 A HN 0.560 nan 8.150 nan 0.000 0.445 360 L N -0.754 120.152 121.223 -0.529 0.000 2.005 360 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 360 L C 2.591 178.921 176.870 -0.899 0.000 1.072 360 L CA 2.255 56.636 54.840 -0.765 0.000 0.744 360 L CB -0.463 41.083 42.059 -0.855 0.000 0.895 360 L HN 0.446 nan 8.230 nan 0.000 0.433 361 M N -2.185 117.015 119.600 -0.666 0.000 2.156 361 M HA -0.128 4.351 4.480 -0.001 0.000 0.264 361 M C 1.969 178.005 176.300 -0.440 0.000 1.067 361 M CA 1.327 56.305 55.300 -0.536 0.000 1.131 361 M CB -0.213 32.127 32.600 -0.432 0.000 1.368 361 M HN 0.148 nan 8.290 nan 0.000 0.416 362 V N 0.100 119.708 119.914 -0.510 0.000 2.326 362 V HA -0.169 3.950 4.120 -0.001 0.000 0.238 362 V C 1.386 177.313 176.094 -0.278 0.000 1.038 362 V CA 1.853 63.879 62.300 -0.457 0.000 1.032 362 V CB -0.636 30.695 31.823 -0.819 0.000 0.675 362 V HN 0.305 nan 8.190 nan 0.000 0.467 363 D N 0.519 120.777 120.400 -0.237 0.000 2.183 363 D HA -0.021 4.619 4.640 -0.001 0.000 0.203 363 D C 1.955 178.149 176.300 -0.176 0.000 0.969 363 D CA 1.349 55.262 54.000 -0.146 0.000 0.842 363 D CB -0.270 40.476 40.800 -0.091 0.000 0.957 363 D HN 0.440 nan 8.370 nan 0.000 0.484 364 G N -0.255 108.372 108.800 -0.288 0.000 2.655 364 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.217 364 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.217 364 G C 0.901 175.713 174.900 -0.146 0.000 1.279 364 G CA 0.021 44.930 45.100 -0.319 0.000 0.870 364 G HN 0.147 nan 8.290 nan 0.000 0.560 365 Y N 1.099 121.282 120.300 -0.195 0.000 2.421 365 Y HA 0.204 4.753 4.550 -0.001 0.000 0.292 365 Y C 2.429 178.247 175.900 -0.135 0.000 1.136 365 Y CA 0.076 58.085 58.100 -0.151 0.000 1.255 365 Y CB -0.616 37.712 38.460 -0.221 0.000 0.991 365 Y HN 0.436 nan 8.280 nan 0.000 0.552 366 G N 0.149 108.933 108.800 -0.028 0.000 2.132 366 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.234 366 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.234 366 G C 0.126 174.988 174.900 -0.064 0.000 0.989 366 G CA 0.015 45.084 45.100 -0.051 0.000 0.676 366 G HN 0.295 nan 8.290 nan 0.000 0.522 367 I N 1.097 121.604 120.570 -0.105 0.000 2.648 367 I HA 0.054 4.223 4.170 -0.001 0.000 0.284 367 I C 1.070 177.104 176.117 -0.140 0.000 1.153 367 I CA -0.528 60.702 61.300 -0.118 0.000 1.426 367 I CB 0.470 38.323 38.000 -0.246 0.000 1.381 367 I HN 0.168 nan 8.210 nan 0.000 0.571 368 N N 8.363 127.017 118.700 -0.077 0.000 2.458 368 N HA 0.018 4.758 4.740 -0.001 0.000 0.258 368 N C -1.736 173.706 175.510 -0.113 0.000 1.219 368 N CA -1.112 51.893 53.050 -0.074 0.000 0.902 368 N CB 1.333 39.804 38.487 -0.027 0.000 1.076 368 N HN 0.268 nan 8.380 nan 0.000 0.455 369 P HA -0.106 nan 4.420 nan 0.000 0.221 369 P C 0.404 177.683 177.300 -0.034 0.000 1.145 369 P CA 1.182 64.219 63.100 -0.105 0.000 0.795 369 P CB 0.119 31.831 31.700 0.020 0.000 0.775 370 N N -1.368 117.321 118.700 -0.018 0.000 2.280 370 N HA -0.023 4.716 4.740 -0.001 0.000 0.192 370 N C 0.532 176.034 175.510 -0.014 0.000 1.109 370 N CA 0.006 53.054 53.050 -0.002 0.000 0.855 370 N CB -0.715 37.778 38.487 0.010 0.000 0.974 370 N HN 0.015 nan 8.380 nan 0.000 0.482 371 Q N 0.959 120.742 119.800 -0.028 0.000 2.313 371 Q HA 0.206 4.546 4.340 -0.001 0.000 0.266 371 Q C -0.703 175.273 176.000 -0.041 0.000 0.989 371 Q CA 0.037 55.834 55.803 -0.011 0.000 0.890 371 Q CB 0.503 29.255 28.738 0.023 0.000 1.200 371 Q HN 0.169 nan 8.270 nan 0.000 0.396 372 T N 5.645 120.170 114.554 -0.049 0.000 2.853 372 T HA 0.261 4.610 4.350 -0.001 0.000 0.298 372 T C -0.170 174.437 174.700 -0.155 0.000 0.978 372 T CA -0.097 61.917 62.100 -0.143 0.000 1.152 372 T CB 0.110 68.853 68.868 -0.209 0.000 0.914 372 T HN 0.419 nan 8.240 nan 0.000 0.539 373 I N 4.163 124.599 120.570 -0.224 0.000 2.382 373 I HA 0.273 4.443 4.170 -0.001 0.000 0.285 373 I C 0.308 176.243 176.117 -0.304 0.000 1.007 373 I CA -0.837 60.356 61.300 -0.178 0.000 1.142 373 I CB 0.821 38.712 38.000 -0.181 0.000 1.289 373 I HN 0.664 nan 8.210 nan 0.000 0.453 374 H N 6.084 124.963 119.070 -0.319 0.000 2.615 374 H HA 0.382 4.937 4.556 -0.002 0.000 0.363 374 H C -0.602 174.580 175.328 -0.244 0.000 1.148 374 H CA 0.320 56.077 56.048 -0.485 0.000 1.401 374 H CB 0.636 29.724 29.762 -1.124 0.000 1.461 374 H HN 0.511 nan 8.280 nan 0.000 0.588 375 Y N -0.386 119.866 120.300 -0.081 0.000 2.462 375 Y HA 0.436 4.985 4.550 -0.001 0.000 0.346 375 Y C -1.145 174.797 175.900 0.071 0.000 0.976 375 Y CA -1.554 56.529 58.100 -0.029 0.000 1.044 375 Y CB 0.789 39.164 38.460 -0.141 0.000 1.230 375 Y HN 0.324 nan 8.280 nan 0.000 0.455 376 I N 4.348 125.068 120.570 0.250 0.000 2.471 376 I HA 0.201 4.370 4.170 -0.001 0.000 0.286 376 I C -2.323 173.916 176.117 0.202 0.000 1.079 376 I CA -2.615 58.795 61.300 0.184 0.000 1.398 376 I CB 0.462 38.560 38.000 0.164 0.000 1.403 376 I HN 0.491 nan 8.210 nan 0.000 0.530 377 P HA 0.044 nan 4.420 nan 0.000 0.262 377 P C -1.867 175.517 177.300 0.140 0.000 1.182 377 P CA -0.715 62.485 63.100 0.167 0.000 0.761 377 P CB 0.009 31.768 31.700 0.099 0.000 0.795 378 P HA -0.228 nan 4.420 nan 0.000 0.217 378 P C 1.293 178.643 177.300 0.084 0.000 1.148 378 P CA 1.493 64.650 63.100 0.095 0.000 0.834 378 P CB -0.236 31.509 31.700 0.076 0.000 0.783 379 E N 0.052 120.303 120.200 0.084 0.000 2.418 379 E HA -0.174 4.175 4.350 -0.001 0.000 0.197 379 E C 1.414 178.052 176.600 0.064 0.000 1.026 379 E CA 0.886 57.328 56.400 0.069 0.000 0.862 379 E CB -0.740 29.000 29.700 0.067 0.000 0.799 379 E HN 0.406 nan 8.360 nan 0.000 0.518 380 Q N 0.507 120.349 119.800 0.069 0.000 2.451 380 Q HA 0.034 4.374 4.340 -0.001 0.000 0.206 380 Q C -0.241 175.800 176.000 0.068 0.000 0.947 380 Q CA -0.053 55.788 55.803 0.063 0.000 0.937 380 Q CB 0.038 28.813 28.738 0.061 0.000 1.025 380 Q HN 0.222 nan 8.270 nan 0.000 0.511 381 N N 1.014 119.757 118.700 0.072 0.000 2.705 381 N HA -0.206 4.533 4.740 -0.001 0.000 0.255 381 N C -0.676 174.883 175.510 0.082 0.000 1.008 381 N CA 0.548 53.644 53.050 0.075 0.000 0.742 381 N CB -1.462 37.063 38.487 0.064 0.000 0.906 381 N HN 0.342 nan 8.380 nan 0.000 0.541 382 L N 0.397 121.672 121.223 0.087 0.000 2.462 382 L HA 0.124 4.464 4.340 -0.001 0.000 0.272 382 L C 0.433 177.358 176.870 0.092 0.000 1.166 382 L CA 0.672 55.565 54.840 0.087 0.000 0.880 382 L CB 0.459 42.574 42.059 0.093 0.000 1.142 382 L HN 0.097 nan 8.230 nan 0.000 0.473 383 D N 5.248 125.677 120.400 0.049 0.000 2.629 383 D HA 0.057 4.697 4.640 -0.001 0.000 0.250 383 D C 0.681 176.932 176.300 -0.082 0.000 1.126 383 D CA -0.554 53.430 54.000 -0.026 0.000 0.852 383 D CB 0.991 41.706 40.800 -0.143 0.000 1.335 383 D HN 0.740 nan 8.370 nan 0.000 0.518 384 W N 3.529 124.823 121.300 -0.010 0.000 2.387 384 W HA -0.206 4.454 4.660 -0.001 0.000 0.272 384 W C 1.093 177.551 176.519 -0.102 0.000 1.224 384 W CA 1.532 58.882 57.345 0.008 0.000 1.210 384 W CB -1.555 27.959 29.460 0.090 0.000 1.125 384 W HN 0.365 nan 8.180 nan 0.000 0.572 385 T N -0.312 113.642 114.554 -1.001 0.000 2.929 385 T HA -0.215 4.134 4.350 -0.001 0.000 0.271 385 T C 1.900 176.197 174.700 -0.672 0.000 1.085 385 T CA 1.456 62.921 62.100 -1.059 0.000 1.125 385 T CB -0.803 67.366 68.868 -1.166 0.000 0.874 385 T HN 0.287 nan 8.240 nan 0.000 0.494 386 I N 1.590 121.829 120.570 -0.552 0.000 2.454 386 I HA -0.011 4.158 4.170 -0.001 0.000 0.254 386 I C 2.587 178.389 176.117 -0.524 0.000 1.156 386 I CA 1.177 62.052 61.300 -0.709 0.000 1.433 386 I CB -0.546 37.135 38.000 -0.533 0.000 1.082 386 I HN 0.434 nan 8.210 nan 0.000 0.432 387 G N -0.165 108.478 108.800 -0.262 0.000 2.432 387 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 387 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 387 G C 1.583 176.393 174.900 -0.149 0.000 1.135 387 G CA 0.929 46.014 45.100 -0.026 0.000 0.767 387 G HN 0.339 nan 8.290 nan 0.000 0.550 388 V N 0.611 120.168 119.914 -0.596 0.000 2.343 388 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 388 V C 2.997 178.786 176.094 -0.509 0.000 1.051 388 V CA 1.447 63.316 62.300 -0.719 0.000 1.036 388 V CB -0.431 30.888 31.823 -0.840 0.000 0.654 388 V HN 0.257 nan 8.190 nan 0.000 0.451 389 V N -0.161 119.410 119.914 -0.572 0.000 2.261 389 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 389 V C 2.341 178.144 176.094 -0.486 0.000 1.047 389 V CA 2.112 64.054 62.300 -0.597 0.000 1.015 389 V CB -0.584 30.771 31.823 -0.779 0.000 0.642 389 V HN 0.433 nan 8.190 nan 0.000 0.446 390 L N -0.710 120.278 121.223 -0.391 0.000 2.083 390 L HA -0.220 4.119 4.340 -0.001 0.000 0.209 390 L C 2.573 179.376 176.870 -0.112 0.000 1.083 390 L CA 1.953 56.633 54.840 -0.266 0.000 0.752 390 L CB -0.588 41.354 42.059 -0.196 0.000 0.899 390 L HN 0.451 nan 8.230 nan 0.000 0.433 391 H N -0.793 118.198 119.070 -0.131 0.000 2.486 391 H HA 0.097 4.652 4.556 -0.001 0.000 0.287 391 H C 1.922 177.216 175.328 -0.056 0.000 1.010 391 H CA 0.947 56.983 56.048 -0.021 0.000 1.324 391 H CB 0.451 30.328 29.762 0.192 0.000 1.446 391 H HN -0.044 nan 8.280 nan 0.000 0.537 392 R N -0.184 120.211 120.500 -0.176 0.000 2.394 392 R HA 0.411 4.750 4.340 -0.001 0.000 0.220 392 R C 0.788 176.987 176.300 -0.169 0.000 0.887 392 R CA 0.493 56.455 56.100 -0.229 0.000 1.034 392 R CB 0.023 30.111 30.300 -0.353 0.000 1.179 392 R HN 0.211 nan 8.270 nan 0.000 0.561 393 A N 0.000 122.672 122.820 -0.246 0.000 2.254 393 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 393 A CA 0.000 51.925 52.037 -0.186 0.000 0.836 393 A CB 0.000 18.657 19.000 -0.571 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486