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 1azw_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRTLYPEITP YQQGSLKVDD RHTLYFEQCG NPHGKPVVML HGGPGGGCND DATA SEQUENCE KMRRFHDPAK YRIVLFDQRG SGRSTPHADL VDNTTWDLVA DIERLRTHLG DATA SEQUENCE VDRWQVFGGS WGSTLALAYA QTHPQQVTEL VLRGIFLLRR FELEWFYQEG DATA SEQUENCE ASRLFPDAWE HYLNAIPPVE RADLMSAFHR RLTSDDEATR LAAAKAWSVW DATA SEQUENCE EGATSFLHVD EDFVTGHEDA HFALAFARIE NHYFVNGGFF EVEDQLLRDA DATA SEQUENCE HRIADIPGVI VHGRYDVVCP LQSAWDLHKA WPKAQLQISP ASGHSAFEPE DATA SEQUENCE NVDALVRATD GFA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 R N 1.270 121.760 120.500 -0.016 0.000 2.774 2 R HA 0.596 4.936 4.340 -0.000 0.000 0.269 2 R C -0.085 176.185 176.300 -0.051 0.000 1.068 2 R CA 0.166 56.238 56.100 -0.046 0.000 1.180 2 R CB 0.266 30.545 30.300 -0.035 0.000 1.077 2 R HN 0.627 nan 8.270 nan 0.000 0.513 3 T N -0.178 114.309 114.554 -0.112 0.000 2.838 3 T HA 0.436 4.786 4.350 -0.000 0.000 0.292 3 T C 0.254 174.845 174.700 -0.181 0.000 1.113 3 T CA -0.916 61.121 62.100 -0.104 0.000 1.008 3 T CB 1.238 70.048 68.868 -0.097 0.000 1.259 3 T HN 0.261 nan 8.240 nan 0.000 0.520 4 L N 1.347 122.482 121.223 -0.147 0.000 2.456 4 L HA 0.246 4.586 4.340 -0.000 0.000 0.272 4 L C 0.038 176.810 176.870 -0.163 0.000 1.189 4 L CA -0.511 54.225 54.840 -0.174 0.000 0.846 4 L CB -0.030 41.919 42.059 -0.184 0.000 1.111 4 L HN 0.631 nan 8.230 nan 0.000 0.475 5 Y N 2.925 123.189 120.300 -0.060 0.000 2.394 5 Y HA 0.038 4.588 4.550 -0.000 0.000 0.351 5 Y C -1.506 174.378 175.900 -0.027 0.000 1.272 5 Y CA -1.103 56.988 58.100 -0.015 0.000 1.508 5 Y CB -0.340 38.132 38.460 0.021 0.000 1.369 5 Y HN 0.427 nan 8.280 nan 0.000 0.639 6 P HA -0.015 nan 4.420 nan 0.000 0.272 6 P C -1.117 176.221 177.300 0.064 0.000 1.230 6 P CA -0.218 62.926 63.100 0.073 0.000 0.788 6 P CB 0.502 32.246 31.700 0.073 0.000 0.949 7 E N 1.076 121.292 120.200 0.026 0.000 2.529 7 E HA 0.065 4.415 4.350 -0.000 0.000 0.259 7 E C 0.104 176.727 176.600 0.037 0.000 0.966 7 E CA 0.532 56.942 56.400 0.017 0.000 0.937 7 E CB 0.144 29.843 29.700 -0.001 0.000 0.923 7 E HN 0.419 nan 8.360 nan 0.000 0.468 8 I N 1.368 121.963 120.570 0.043 0.000 3.042 8 I HA 0.341 4.511 4.170 -0.000 0.000 0.310 8 I C -0.892 175.258 176.117 0.054 0.000 1.117 8 I CA -0.521 60.814 61.300 0.058 0.000 1.003 8 I CB 2.503 40.548 38.000 0.076 0.000 1.228 8 I HN 0.373 nan 8.210 nan 0.000 0.443 9 T N 4.896 119.489 114.554 0.064 0.000 2.861 9 T HA 0.468 4.818 4.350 -0.000 0.000 0.287 9 T C -2.681 172.064 174.700 0.074 0.000 1.003 9 T CA -1.038 61.097 62.100 0.059 0.000 0.977 9 T CB 1.554 70.452 68.868 0.051 0.000 0.996 9 T HN 0.413 nan 8.240 nan 0.000 0.448 10 P HA 0.037 nan 4.420 nan 0.000 0.267 10 P C -0.002 177.304 177.300 0.011 0.000 1.205 10 P CA -0.236 62.856 63.100 -0.013 0.000 0.765 10 P CB 0.424 32.098 31.700 -0.043 0.000 0.828 11 Y N 0.412 120.731 120.300 0.031 0.000 2.546 11 Y HA 0.248 4.798 4.550 -0.000 0.000 0.287 11 Y C 0.669 176.575 175.900 0.009 0.000 1.158 11 Y CA -0.006 58.108 58.100 0.023 0.000 1.307 11 Y CB 0.154 38.630 38.460 0.026 0.000 1.036 11 Y HN 0.243 nan 8.280 nan 0.000 0.532 12 Q N 1.212 120.818 119.800 -0.323 0.000 2.386 12 Q HA 0.392 4.732 4.340 -0.000 0.000 0.274 12 Q C -2.063 173.749 176.000 -0.314 0.000 1.011 12 Q CA -0.436 55.214 55.803 -0.254 0.000 0.867 12 Q CB 2.568 31.139 28.738 -0.277 0.000 1.409 12 Q HN 0.632 nan 8.270 nan 0.000 0.395 13 Q N 0.445 120.064 119.800 -0.301 0.000 2.421 13 Q HA 0.897 5.237 4.340 -0.000 0.000 0.280 13 Q C -0.671 174.980 176.000 -0.582 0.000 1.085 13 Q CA -0.767 54.788 55.803 -0.413 0.000 0.807 13 Q CB 2.627 31.294 28.738 -0.119 0.000 1.405 13 Q HN 0.863 nan 8.270 nan 0.000 0.419 14 G N 0.013 108.251 108.800 -0.936 0.000 2.578 14 G HA2 0.642 4.602 3.960 -0.000 0.000 0.302 14 G HA3 0.642 4.602 3.960 -0.000 0.000 0.302 14 G C -1.453 173.122 174.900 -0.541 0.000 1.243 14 G CA -0.467 44.164 45.100 -0.782 0.000 0.843 14 G HN 0.401 nan 8.290 nan 0.000 0.486 15 S N -1.086 114.522 115.700 -0.153 0.000 2.536 15 S HA 0.651 5.121 4.470 -0.000 0.000 0.271 15 S C -1.848 172.889 174.600 0.229 0.000 1.134 15 S CA -0.400 57.866 58.200 0.110 0.000 0.897 15 S CB 1.899 65.153 63.200 0.090 0.000 1.094 15 S HN 0.887 nan 8.310 nan 0.000 0.473 16 L N 2.905 124.232 121.223 0.172 0.000 2.372 16 L HA 0.521 4.860 4.340 -0.000 0.000 0.274 16 L C -0.952 175.931 176.870 0.020 0.000 0.988 16 L CA -0.275 54.562 54.840 -0.004 0.000 0.833 16 L CB 1.195 43.104 42.059 -0.249 0.000 1.236 16 L HN 0.554 nan 8.230 nan 0.000 0.410 17 K N 4.681 125.095 120.400 0.024 0.000 2.220 17 K HA 0.177 4.497 4.320 -0.000 0.000 0.283 17 K C 1.123 177.741 176.600 0.029 0.000 1.098 17 K CA -0.031 56.284 56.287 0.046 0.000 0.928 17 K CB 0.930 33.458 32.500 0.047 0.000 1.214 17 K HN 0.666 nan 8.250 nan 0.000 0.442 18 V N -0.862 119.079 119.914 0.045 0.000 2.453 18 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 18 V C 0.707 176.835 176.094 0.056 0.000 1.048 18 V CA 1.088 63.408 62.300 0.032 0.000 1.049 18 V CB -0.707 31.137 31.823 0.034 0.000 0.672 18 V HN 0.746 nan 8.190 nan 0.000 0.457 19 D N -0.320 120.131 120.400 0.085 0.000 2.752 19 D HA 0.141 4.781 4.640 -0.000 0.000 0.313 19 D C -0.342 175.996 176.300 0.063 0.000 1.225 19 D CA -0.029 54.017 54.000 0.077 0.000 0.976 19 D CB 0.583 41.442 40.800 0.099 0.000 1.443 19 D HN 0.252 nan 8.370 nan 0.000 0.515 20 D N -1.312 119.115 120.400 0.044 0.000 2.379 20 D HA 0.010 4.650 4.640 -0.000 0.000 0.243 20 D C 1.272 177.573 176.300 0.002 0.000 1.088 20 D CA 0.461 54.475 54.000 0.024 0.000 0.925 20 D CB 0.295 41.106 40.800 0.018 0.000 0.888 20 D HN 0.355 nan 8.370 nan 0.000 0.529 21 R N -1.027 119.469 120.500 -0.007 0.000 2.650 21 R HA 0.115 4.455 4.340 -0.000 0.000 0.212 21 R C -0.492 175.698 176.300 -0.183 0.000 0.904 21 R CA -0.214 55.821 56.100 -0.109 0.000 1.021 21 R CB 0.521 30.715 30.300 -0.176 0.000 1.519 21 R HN 0.220 nan 8.270 nan 0.000 0.639 22 H N 0.071 119.164 119.070 0.038 0.000 2.459 22 H HA 0.351 4.907 4.556 -0.000 0.000 0.332 22 H C -1.123 174.242 175.328 0.063 0.000 1.094 22 H CA -0.069 56.011 56.048 0.053 0.000 1.224 22 H CB 2.102 31.898 29.762 0.056 0.000 1.449 22 H HN -0.086 nan 8.280 nan 0.000 0.484 23 T N 4.621 119.298 114.554 0.204 0.000 2.864 23 T HA 0.253 4.603 4.350 -0.000 0.000 0.299 23 T C -0.518 174.308 174.700 0.209 0.000 1.011 23 T CA -0.809 61.390 62.100 0.165 0.000 0.975 23 T CB 0.674 69.618 68.868 0.126 0.000 0.962 23 T HN 0.096 nan 8.240 nan 0.000 0.448 24 L N 3.158 124.505 121.223 0.207 0.000 2.350 24 L HA 0.454 4.794 4.340 -0.000 0.000 0.275 24 L C -0.248 176.817 176.870 0.325 0.000 1.099 24 L CA -0.970 54.037 54.840 0.278 0.000 0.808 24 L CB 0.228 42.437 42.059 0.250 0.000 1.149 24 L HN 0.654 nan 8.230 nan 0.000 0.442 25 Y N 4.527 124.995 120.300 0.279 0.000 2.326 25 Y HA 0.567 5.117 4.550 0.000 0.000 0.337 25 Y C -0.647 175.474 175.900 0.369 0.000 1.023 25 Y CA -0.916 57.326 58.100 0.237 0.000 1.143 25 Y CB 0.749 39.303 38.460 0.156 0.000 1.183 25 Y HN 0.430 nan 8.280 nan 0.000 0.485 26 F N 3.320 122.824 119.950 -0.742 0.000 2.640 26 F HA 0.834 5.361 4.527 0.000 0.000 0.324 26 F C -1.542 173.864 175.800 -0.656 0.000 1.077 26 F CA -1.189 56.544 58.000 -0.445 0.000 0.965 26 F CB 1.714 40.622 39.000 -0.153 0.000 1.351 26 F HN 0.558 nan 8.300 nan 0.000 0.487 27 E N 0.276 120.385 120.200 -0.151 0.000 2.407 27 E HA 0.481 4.831 4.350 -0.000 0.000 0.279 27 E C -2.171 174.396 176.600 -0.056 0.000 1.012 27 E CA -1.188 55.079 56.400 -0.222 0.000 0.800 27 E CB 2.271 31.923 29.700 -0.081 0.000 1.276 27 E HN 0.811 nan 8.360 nan 0.000 0.452 28 Q N 0.563 120.211 119.800 -0.252 0.000 2.375 28 Q HA 0.646 4.986 4.340 -0.000 0.000 0.271 28 Q C -1.255 174.487 176.000 -0.430 0.000 1.074 28 Q CA -0.826 54.781 55.803 -0.326 0.000 0.808 28 Q CB 2.445 30.889 28.738 -0.492 0.000 1.327 28 Q HN 0.628 nan 8.270 nan 0.000 0.441 29 C N 0.584 119.846 119.300 -0.064 0.000 3.044 29 C HA 0.954 5.414 4.460 -0.000 0.000 0.315 29 C C 0.773 175.958 174.990 0.324 0.000 1.320 29 C CA 0.253 59.357 59.018 0.143 0.000 1.582 29 C CB 1.149 28.946 27.740 0.096 0.000 2.039 29 C HN 1.120 nan 8.230 nan 0.000 0.466 30 G N 2.062 111.040 108.800 0.296 0.000 2.593 30 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.237 30 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.237 30 G C -0.442 174.551 174.900 0.156 0.000 1.312 30 G CA 0.095 45.319 45.100 0.205 0.000 0.896 30 G HN 1.047 nan 8.290 nan 0.000 0.574 31 N N 1.818 120.577 118.700 0.097 0.000 2.416 31 N HA 0.366 5.106 4.740 -0.000 0.000 0.265 31 N C -0.887 174.624 175.510 0.001 0.000 1.195 31 N CA -1.524 51.541 53.050 0.025 0.000 0.943 31 N CB 1.080 39.597 38.487 0.051 0.000 1.115 31 N HN 0.120 nan 8.380 nan 0.000 0.481 32 P HA -0.107 nan 4.420 nan 0.000 0.223 32 P C 0.038 177.136 177.300 -0.337 0.000 1.144 32 P CA 1.288 64.207 63.100 -0.302 0.000 0.783 32 P CB 0.108 31.452 31.700 -0.592 0.000 0.771 33 H N -2.750 116.313 119.070 -0.013 0.000 2.674 33 H HA 0.324 4.880 4.556 -0.000 0.000 0.274 33 H C 1.228 176.567 175.328 0.017 0.000 1.121 33 H CA -0.042 56.009 56.048 0.005 0.000 1.132 33 H CB 0.400 30.152 29.762 -0.016 0.000 1.606 33 H HN 0.062 nan 8.280 nan 0.000 0.558 34 G N 0.712 109.572 108.800 0.101 0.000 2.563 34 G HA2 0.087 4.047 3.960 -0.000 0.000 0.283 34 G HA3 0.087 4.047 3.960 -0.000 0.000 0.283 34 G C -0.027 174.916 174.900 0.072 0.000 1.309 34 G CA -0.631 44.508 45.100 0.064 0.000 1.022 34 G HN 0.082 nan 8.290 nan 0.000 0.501 35 K N 1.606 122.005 120.400 -0.002 0.000 2.419 35 K HA 0.089 4.409 4.320 -0.000 0.000 0.282 35 K C -1.999 174.763 176.600 0.270 0.000 1.056 35 K CA -1.072 55.249 56.287 0.057 0.000 1.035 35 K CB 0.502 32.909 32.500 -0.156 0.000 0.921 35 K HN 0.160 nan 8.250 nan 0.000 0.472 36 P HA -0.013 nan 4.420 nan 0.000 0.271 36 P C -0.940 176.587 177.300 0.378 0.000 1.216 36 P CA -0.214 63.090 63.100 0.340 0.000 0.771 36 P CB 1.245 33.139 31.700 0.323 0.000 0.864 37 V N 4.346 124.409 119.914 0.248 0.000 2.777 37 V HA 0.324 4.444 4.120 -0.000 0.000 0.306 37 V C -1.242 174.731 176.094 -0.200 0.000 1.112 37 V CA -0.953 61.330 62.300 -0.027 0.000 0.917 37 V CB 2.525 34.158 31.823 -0.316 0.000 1.018 37 V HN 0.354 nan 8.190 nan 0.000 0.426 38 V N 8.168 127.763 119.914 -0.531 0.000 2.398 38 V HA 0.638 4.758 4.120 -0.000 0.000 0.286 38 V C -0.065 175.855 176.094 -0.289 0.000 1.026 38 V CA -0.523 61.417 62.300 -0.599 0.000 0.868 38 V CB 1.615 32.599 31.823 -1.398 0.000 0.982 38 V HN 0.985 nan 8.190 nan 0.000 0.443 39 M N 7.464 126.991 119.600 -0.122 0.000 2.120 39 M HA 0.496 4.976 4.480 -0.000 0.000 0.354 39 M C -0.726 175.542 176.300 -0.054 0.000 1.287 39 M CA 0.227 55.510 55.300 -0.028 0.000 1.103 39 M CB 0.844 33.439 32.600 -0.008 0.000 1.623 39 M HN 0.466 nan 8.290 nan 0.000 0.471 40 L N 5.821 127.021 121.223 -0.038 0.000 2.276 40 L HA 0.409 4.749 4.340 -0.000 0.000 0.286 40 L C 0.498 177.326 176.870 -0.070 0.000 1.024 40 L CA -0.871 53.865 54.840 -0.173 0.000 0.826 40 L CB 0.299 42.242 42.059 -0.192 0.000 1.211 40 L HN 0.715 nan 8.230 nan 0.000 0.422 41 H N 1.506 120.574 119.070 -0.002 0.000 2.660 41 H HA 0.383 4.939 4.556 0.000 0.000 0.374 41 H C 0.184 175.644 175.328 0.220 0.000 1.291 41 H CA -0.320 55.796 56.048 0.114 0.000 1.437 41 H CB 1.138 30.970 29.762 0.117 0.000 1.509 41 H HN 0.583 nan 8.280 nan 0.000 0.614 42 G N -1.453 107.654 108.800 0.513 0.000 2.582 42 G HA2 0.455 4.415 3.960 -0.000 0.000 0.232 42 G HA3 0.455 4.415 3.960 -0.000 0.000 0.232 42 G C 0.461 175.758 174.900 0.661 0.000 1.458 42 G CA -0.058 45.365 45.100 0.539 0.000 1.062 42 G HN 1.104 nan 8.290 nan 0.000 0.566 43 G N -0.445 108.678 108.800 0.539 0.000 2.938 43 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.234 43 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.234 43 G C -2.382 172.506 174.900 -0.019 0.000 1.707 43 G CA 0.166 45.406 45.100 0.233 0.000 1.299 43 G HN 0.864 nan 8.290 nan 0.000 0.515 44 P HA 0.386 nan 4.420 nan 0.000 0.272 44 P C 0.879 177.940 177.300 -0.398 0.000 1.240 44 P CA 2.076 64.697 63.100 -0.797 0.000 0.791 44 P CB 0.602 31.093 31.700 -2.015 0.000 0.978 45 G N -0.135 108.597 108.800 -0.113 0.000 2.132 45 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.234 45 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.234 45 G C 0.932 175.922 174.900 0.150 0.000 0.989 45 G CA 0.167 45.248 45.100 -0.032 0.000 0.676 45 G HN 0.791 nan 8.290 nan 0.000 0.522 46 G N -0.282 108.670 108.800 0.254 0.000 2.459 46 G HA2 0.554 4.514 3.960 -0.000 0.000 0.213 46 G HA3 0.554 4.514 3.960 -0.000 0.000 0.213 46 G C 1.403 176.206 174.900 -0.161 0.000 1.155 46 G CA 1.554 46.812 45.100 0.262 0.000 0.811 46 G HN 2.175 nan 8.290 nan 0.000 0.534 47 G N -1.616 106.554 108.800 -1.051 0.000 2.716 47 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.686 47 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.686 47 G C -0.023 174.643 174.900 -0.390 0.000 1.337 47 G CA -0.516 44.110 45.100 -0.790 0.000 0.829 47 G HN 0.636 nan 8.290 nan 0.000 0.599 48 C N 2.259 121.517 119.300 -0.070 0.000 2.580 48 C HA 0.721 5.181 4.460 -0.000 0.000 0.371 48 C C 0.834 175.873 174.990 0.081 0.000 1.308 48 C CA 0.219 59.303 59.018 0.110 0.000 2.428 48 C CB 0.618 28.465 27.740 0.178 0.000 2.529 48 C HN 1.170 nan 8.230 nan 0.000 0.657 49 N N 0.301 119.079 118.700 0.129 0.000 2.701 49 N HA 0.274 5.014 4.740 -0.000 0.000 0.290 49 N C 0.013 175.574 175.510 0.085 0.000 1.338 49 N CA -0.672 52.425 53.050 0.079 0.000 0.799 49 N CB 0.275 38.807 38.487 0.075 0.000 1.491 49 N HN 0.550 nan 8.380 nan 0.000 0.540 50 D N 0.341 120.759 120.400 0.031 0.000 2.117 50 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 50 D C 1.020 177.334 176.300 0.024 0.000 0.982 50 D CA 1.308 55.322 54.000 0.024 0.000 0.828 50 D CB 0.183 40.976 40.800 -0.013 0.000 0.967 50 D HN 0.583 nan 8.370 nan 0.000 0.464 51 K N 0.411 120.797 120.400 -0.024 0.000 2.211 51 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 51 K C 2.103 178.789 176.600 0.143 0.000 1.047 51 K CA 0.741 56.974 56.287 -0.090 0.000 0.935 51 K CB -0.127 32.079 32.500 -0.490 0.000 0.728 51 K HN 0.168 nan 8.250 nan 0.000 0.452 52 M N 0.233 120.023 119.600 0.316 0.000 2.632 52 M HA -0.086 4.394 4.480 -0.000 0.000 0.256 52 M C 1.510 177.972 176.300 0.270 0.000 1.080 52 M CA 1.211 56.782 55.300 0.452 0.000 1.084 52 M CB -0.029 32.803 32.600 0.387 0.000 1.439 52 M HN 0.071 nan 8.290 nan 0.000 0.509 53 R N -0.137 120.452 120.500 0.150 0.000 2.240 53 R HA 0.025 4.364 4.340 -0.000 0.000 0.203 53 R C 1.353 177.709 176.300 0.093 0.000 1.011 53 R CA 0.593 56.753 56.100 0.101 0.000 1.007 53 R CB 0.033 30.380 30.300 0.078 0.000 0.911 53 R HN 0.351 nan 8.270 nan 0.000 0.468 54 R N -0.356 120.171 120.500 0.046 0.000 2.356 54 R HA 0.102 4.442 4.340 -0.000 0.000 0.234 54 R C 0.395 176.696 176.300 0.000 0.000 0.929 54 R CA 0.196 56.309 56.100 0.022 0.000 1.084 54 R CB 0.140 30.407 30.300 -0.054 0.000 1.105 54 R HN 0.124 nan 8.270 nan 0.000 0.515 55 F N -0.433 119.593 119.950 0.126 0.000 2.664 55 F HA 0.127 4.654 4.527 0.000 0.000 0.296 55 F C 0.406 176.126 175.800 -0.134 0.000 1.125 55 F CA 0.266 58.274 58.000 0.013 0.000 1.444 55 F CB 0.165 39.007 39.000 -0.264 0.000 1.114 55 F HN 0.011 nan 8.300 nan 0.000 0.576 56 H N -1.543 117.551 119.070 0.039 0.000 2.569 56 H HA 0.244 4.800 4.556 -0.000 0.000 0.357 56 H C -0.887 174.224 175.328 -0.363 0.000 1.153 56 H CA -1.551 54.416 56.048 -0.134 0.000 1.193 56 H CB 0.949 30.476 29.762 -0.393 0.000 1.602 56 H HN -0.241 nan 8.280 nan 0.000 0.523 57 D N 3.697 123.909 120.400 -0.313 0.000 2.363 57 D HA 0.025 4.665 4.640 -0.000 0.000 0.263 57 D C -1.374 174.840 176.300 -0.145 0.000 1.258 57 D CA -1.508 52.079 54.000 -0.688 0.000 0.907 57 D CB 0.930 41.570 40.800 -0.266 0.000 1.107 57 D HN 0.317 nan 8.370 nan 0.000 0.495 58 P HA -0.144 nan 4.420 nan 0.000 0.231 58 P C 0.594 177.911 177.300 0.029 0.000 1.158 58 P CA 0.560 63.664 63.100 0.007 0.000 0.763 58 P CB 0.287 31.996 31.700 0.015 0.000 0.805 59 A N 0.498 123.318 122.820 -0.001 0.000 1.903 59 A HA -0.019 4.301 4.320 -0.000 0.000 0.213 59 A C 2.125 179.713 177.584 0.006 0.000 1.185 59 A CA 1.204 53.248 52.037 0.012 0.000 0.628 59 A CB -0.471 18.537 19.000 0.014 0.000 0.830 59 A HN 0.084 nan 8.150 nan 0.000 0.446 60 K N -1.921 118.470 120.400 -0.015 0.000 2.356 60 K HA 0.210 4.530 4.320 -0.000 0.000 0.195 60 K C -0.737 175.750 176.600 -0.188 0.000 1.037 60 K CA 0.279 56.498 56.287 -0.113 0.000 1.014 60 K CB 0.153 32.535 32.500 -0.196 0.000 0.815 60 K HN 0.495 nan 8.250 nan 0.000 0.507 61 Y N 0.259 120.596 120.300 0.062 0.000 2.429 61 Y HA 0.353 4.903 4.550 -0.000 0.000 0.342 61 Y C -0.126 175.819 175.900 0.076 0.000 1.004 61 Y CA -1.288 56.861 58.100 0.080 0.000 1.075 61 Y CB 1.513 40.030 38.460 0.094 0.000 1.214 61 Y HN -0.254 nan 8.280 nan 0.000 0.455 62 R N 4.481 125.154 120.500 0.289 0.000 2.369 62 R HA 0.459 4.799 4.340 -0.000 0.000 0.310 62 R C -1.448 174.975 176.300 0.205 0.000 1.141 62 R CA -0.255 55.989 56.100 0.241 0.000 1.116 62 R CB -0.324 30.101 30.300 0.207 0.000 1.135 62 R HN 0.728 nan 8.270 nan 0.000 0.529 63 I N 5.029 125.684 120.570 0.141 0.000 2.363 63 I HA 0.104 4.274 4.170 -0.000 0.000 0.292 63 I C -0.168 175.981 176.117 0.054 0.000 1.075 63 I CA -0.529 60.773 61.300 0.003 0.000 1.333 63 I CB 1.295 39.267 38.000 -0.047 0.000 1.415 63 I HN 0.202 nan 8.210 nan 0.000 0.502 64 V N 8.103 128.060 119.914 0.070 0.000 2.394 64 V HA 0.439 4.559 4.120 -0.000 0.000 0.282 64 V C 0.038 176.218 176.094 0.144 0.000 1.031 64 V CA -0.467 61.926 62.300 0.155 0.000 0.881 64 V CB 1.351 33.357 31.823 0.304 0.000 0.982 64 V HN 0.438 nan 8.190 nan 0.000 0.451 65 L N 5.825 127.175 121.223 0.212 0.000 2.333 65 L HA 0.879 5.219 4.340 -0.000 0.000 0.263 65 L C -0.659 176.479 176.870 0.445 0.000 1.014 65 L CA -0.394 54.600 54.840 0.257 0.000 0.820 65 L CB 2.029 44.201 42.059 0.188 0.000 1.352 65 L HN 0.719 nan 8.230 nan 0.000 0.421 66 F N -2.086 117.985 119.950 0.203 0.000 2.744 66 F HA 0.579 5.106 4.527 0.000 0.000 0.311 66 F C -1.750 174.250 175.800 0.333 0.000 1.144 66 F CA -1.242 56.914 58.000 0.261 0.000 0.938 66 F CB 0.910 40.018 39.000 0.180 0.000 1.292 66 F HN 0.304 nan 8.300 nan 0.000 0.444 67 D N 2.249 122.866 120.400 0.362 0.000 2.225 67 D HA 0.319 4.959 4.640 -0.000 0.000 0.248 67 D C -0.646 175.837 176.300 0.304 0.000 1.096 67 D CA -0.045 54.126 54.000 0.285 0.000 0.863 67 D CB 1.614 42.587 40.800 0.288 0.000 1.156 67 D HN 0.603 nan 8.370 nan 0.000 0.450 68 Q N 1.125 121.102 119.800 0.295 0.000 2.354 68 Q HA 0.262 4.602 4.340 -0.000 0.000 0.244 68 Q C 0.076 176.178 176.000 0.170 0.000 0.969 68 Q CA -0.514 55.407 55.803 0.196 0.000 0.885 68 Q CB 1.042 29.809 28.738 0.048 0.000 1.241 68 Q HN 0.182 nan 8.270 nan 0.000 0.461 69 R N 0.839 121.391 120.500 0.087 0.000 2.543 69 R HA -0.173 4.167 4.340 -0.000 0.000 0.280 69 R C 1.014 177.331 176.300 0.029 0.000 0.885 69 R CA 1.051 57.132 56.100 -0.032 0.000 1.130 69 R CB -0.614 29.456 30.300 -0.384 0.000 0.871 69 R HN 1.062 nan 8.270 nan 0.000 0.424 70 G N 1.722 110.599 108.800 0.129 0.000 2.175 70 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.265 70 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.265 70 G C 0.125 174.977 174.900 -0.080 0.000 0.979 70 G CA 0.666 45.787 45.100 0.036 0.000 0.663 70 G HN 0.634 nan 8.290 nan 0.000 0.533 71 S N -0.365 115.347 115.700 0.021 0.000 2.462 71 S HA 0.654 5.124 4.470 -0.000 0.000 0.294 71 S C 1.491 176.139 174.600 0.080 0.000 1.144 71 S CA 1.081 59.284 58.200 0.004 0.000 1.088 71 S CB 0.946 64.181 63.200 0.059 0.000 1.009 71 S HN 2.166 nan 8.310 nan 0.000 0.484 72 G N 5.237 114.093 108.800 0.093 0.000 2.646 72 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.324 72 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.324 72 G C 0.392 175.400 174.900 0.180 0.000 1.195 72 G CA 0.632 45.812 45.100 0.134 0.000 0.976 72 G HN 1.023 nan 8.290 nan 0.000 0.546 73 R N 0.563 121.113 120.500 0.084 0.000 2.702 73 R HA 0.583 4.923 4.340 -0.000 0.000 0.314 73 R C 0.000 176.404 176.300 0.174 0.000 1.152 73 R CA 0.378 56.510 56.100 0.053 0.000 1.097 73 R CB 0.273 30.451 30.300 -0.202 0.000 1.343 73 R HN 0.278 nan 8.270 nan 0.000 0.575 74 S N 1.038 116.872 115.700 0.222 0.000 2.578 74 S HA 0.488 4.958 4.470 -0.000 0.000 0.301 74 S C -0.278 174.458 174.600 0.225 0.000 1.091 74 S CA -0.483 57.869 58.200 0.253 0.000 1.032 74 S CB 2.048 65.414 63.200 0.276 0.000 1.064 74 S HN 0.485 nan 8.310 nan 0.000 0.508 75 T N 0.528 115.208 114.554 0.209 0.000 2.887 75 T HA 0.670 5.020 4.350 -0.000 0.000 0.288 75 T C -3.229 171.548 174.700 0.128 0.000 1.021 75 T CA -2.458 59.739 62.100 0.163 0.000 1.000 75 T CB 1.674 70.611 68.868 0.114 0.000 1.034 75 T HN 0.287 nan 8.240 nan 0.000 0.467 76 P HA 0.144 nan 4.420 nan 0.000 0.286 76 P C -0.058 177.311 177.300 0.114 0.000 1.269 76 P CA -0.317 62.815 63.100 0.054 0.000 0.787 76 P CB 0.350 32.033 31.700 -0.030 0.000 0.920 77 H N 4.051 123.146 119.070 0.042 0.000 3.092 77 H HA -0.079 4.477 4.556 -0.000 0.000 0.332 77 H C 1.041 176.356 175.328 -0.022 0.000 1.029 77 H CA 1.435 57.494 56.048 0.018 0.000 1.376 77 H CB 0.418 30.196 29.762 0.026 0.000 1.329 77 H HN 0.726 nan 8.280 nan 0.000 0.598 78 A N 3.946 126.431 122.820 -0.559 0.000 2.790 78 A HA -0.282 4.038 4.320 -0.000 0.000 0.277 78 A C 0.358 177.831 177.584 -0.185 0.000 1.435 78 A CA 1.340 53.132 52.037 -0.409 0.000 0.877 78 A CB -1.962 16.804 19.000 -0.389 0.000 1.007 78 A HN 0.844 nan 8.150 nan 0.000 0.613 79 D N -1.189 119.161 120.400 -0.084 0.000 2.351 79 D HA 0.465 5.105 4.640 -0.000 0.000 0.251 79 D C 0.829 177.091 176.300 -0.063 0.000 1.137 79 D CA -0.257 53.723 54.000 -0.033 0.000 0.879 79 D CB 0.427 41.255 40.800 0.048 0.000 1.181 79 D HN 0.055 nan 8.370 nan 0.000 0.448 80 L N 3.738 124.865 121.223 -0.160 0.000 2.640 80 L HA 0.230 4.570 4.340 -0.000 0.000 0.230 80 L C -0.309 176.429 176.870 -0.221 0.000 1.123 80 L CA 0.104 54.730 54.840 -0.356 0.000 0.900 80 L CB 0.188 41.937 42.059 -0.517 0.000 1.146 80 L HN 0.286 nan 8.230 nan 0.000 0.484 81 V N 0.701 120.586 119.914 -0.048 0.000 2.461 81 V HA 0.198 4.318 4.120 -0.000 0.000 0.275 81 V C 0.499 176.665 176.094 0.119 0.000 1.047 81 V CA -0.688 61.623 62.300 0.018 0.000 0.955 81 V CB 1.009 32.835 31.823 0.005 0.000 0.988 81 V HN 0.380 nan 8.190 nan 0.000 0.471 82 D N 2.822 123.260 120.400 0.064 0.000 2.811 82 D HA -0.179 4.461 4.640 -0.000 0.000 0.231 82 D C 0.217 176.502 176.300 -0.024 0.000 1.157 82 D CA 0.777 54.808 54.000 0.051 0.000 0.716 82 D CB -0.502 40.373 40.800 0.126 0.000 1.077 82 D HN 0.682 nan 8.370 nan 0.000 0.428 83 N N 0.708 119.367 118.700 -0.068 0.000 2.816 83 N HA 0.236 4.976 4.740 -0.000 0.000 0.236 83 N C -1.315 174.076 175.510 -0.199 0.000 1.076 83 N CA 0.138 53.138 53.050 -0.082 0.000 0.902 83 N CB 0.795 39.265 38.487 -0.027 0.000 1.149 83 N HN -0.110 nan 8.380 nan 0.000 0.506 84 T N 0.500 114.858 114.554 -0.327 0.000 2.903 84 T HA 0.255 4.605 4.350 -0.000 0.000 0.299 84 T C 1.218 175.718 174.700 -0.333 0.000 1.093 84 T CA -0.390 61.203 62.100 -0.845 0.000 1.002 84 T CB 1.431 69.743 68.868 -0.926 0.000 1.127 84 T HN 0.286 nan 8.240 nan 0.000 0.488 85 T N 1.435 115.781 114.554 -0.347 0.000 2.653 85 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 85 T C 1.441 175.851 174.700 -0.483 0.000 1.035 85 T CA 1.936 63.890 62.100 -0.244 0.000 1.154 85 T CB -0.297 68.244 68.868 -0.545 0.000 0.862 85 T HN 0.728 nan 8.240 nan 0.000 0.441 86 W N 1.453 122.822 121.300 0.114 0.000 2.699 86 W HA 0.084 4.744 4.660 0.000 0.000 0.249 86 W C 2.071 178.647 176.519 0.095 0.000 1.280 86 W CA -0.237 57.180 57.345 0.119 0.000 1.345 86 W CB -0.228 29.289 29.460 0.094 0.000 1.128 86 W HN 0.221 nan 8.180 nan 0.000 0.642 87 D N 0.479 120.943 120.400 0.108 0.000 2.120 87 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 87 D C 2.294 178.647 176.300 0.089 0.000 0.972 87 D CA 1.113 55.160 54.000 0.080 0.000 0.837 87 D CB -0.512 40.283 40.800 -0.008 0.000 0.989 87 D HN 0.154 nan 8.370 nan 0.000 0.469 88 L N 0.868 122.142 121.223 0.086 0.000 2.131 88 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 88 L C 2.511 179.467 176.870 0.142 0.000 1.092 88 L CA 0.607 55.524 54.840 0.129 0.000 0.759 88 L CB -0.468 41.699 42.059 0.180 0.000 0.903 88 L HN -0.063 nan 8.230 nan 0.000 0.435 89 V N 0.164 120.181 119.914 0.172 0.000 2.548 89 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 89 V C 2.734 179.009 176.094 0.301 0.000 1.055 89 V CA 1.598 64.070 62.300 0.288 0.000 1.065 89 V CB -0.546 31.527 31.823 0.416 0.000 0.681 89 V HN 0.449 nan 8.190 nan 0.000 0.462 90 A N -0.178 122.788 122.820 0.243 0.000 1.929 90 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 90 A C 1.966 179.600 177.584 0.082 0.000 1.176 90 A CA 1.662 53.813 52.037 0.189 0.000 0.628 90 A CB -0.503 18.597 19.000 0.167 0.000 0.816 90 A HN 0.504 nan 8.150 nan 0.000 0.444 91 D N 0.457 120.886 120.400 0.047 0.000 2.104 91 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 91 D C 1.807 178.015 176.300 -0.154 0.000 0.994 91 D CA 1.310 55.281 54.000 -0.049 0.000 0.830 91 D CB -0.463 40.328 40.800 -0.015 0.000 0.959 91 D HN 0.512 nan 8.370 nan 0.000 0.452 92 I N 1.141 121.636 120.570 -0.124 0.000 2.248 92 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 92 I C 2.238 178.314 176.117 -0.068 0.000 1.107 92 I CA 1.123 62.301 61.300 -0.204 0.000 1.373 92 I CB -0.170 37.585 38.000 -0.409 0.000 1.055 92 I HN -0.008 nan 8.210 nan 0.000 0.418 93 E N 0.610 120.801 120.200 -0.014 0.000 2.158 93 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 93 E C 2.297 178.842 176.600 -0.092 0.000 0.982 93 E CA 0.741 57.128 56.400 -0.022 0.000 0.823 93 E CB -0.047 29.634 29.700 -0.032 0.000 0.766 93 E HN 0.512 nan 8.360 nan 0.000 0.468 94 R N 0.443 120.884 120.500 -0.099 0.000 2.075 94 R HA -0.002 4.338 4.340 -0.000 0.000 0.232 94 R C 2.570 178.759 176.300 -0.185 0.000 1.126 94 R CA 0.642 56.671 56.100 -0.118 0.000 0.963 94 R CB -0.265 29.970 30.300 -0.108 0.000 0.858 94 R HN 0.130 nan 8.270 nan 0.000 0.435 95 L N 0.644 121.698 121.223 -0.282 0.000 1.976 95 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 95 L C 2.805 179.496 176.870 -0.298 0.000 1.071 95 L CA 1.507 56.112 54.840 -0.393 0.000 0.746 95 L CB -0.364 41.410 42.059 -0.476 0.000 0.890 95 L HN 0.218 nan 8.230 nan 0.000 0.432 96 R N -0.863 119.445 120.500 -0.320 0.000 2.112 96 R HA -0.242 4.098 4.340 -0.000 0.000 0.242 96 R C 2.189 178.232 176.300 -0.428 0.000 1.137 96 R CA 2.516 58.217 56.100 -0.665 0.000 0.944 96 R CB -0.578 29.337 30.300 -0.642 0.000 0.857 96 R HN 0.299 nan 8.270 nan 0.000 0.435 97 T N 0.009 114.406 114.554 -0.261 0.000 2.788 97 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 97 T C 1.643 176.263 174.700 -0.134 0.000 1.044 97 T CA 1.444 63.437 62.100 -0.178 0.000 1.139 97 T CB -0.368 68.429 68.868 -0.118 0.000 0.867 97 T HN 0.425 nan 8.240 nan 0.000 0.454 98 H N 0.562 119.495 119.070 -0.228 0.000 2.389 98 H HA 0.066 4.622 4.556 -0.000 0.000 0.299 98 H C 1.859 177.073 175.328 -0.190 0.000 1.081 98 H CA 1.075 57.003 56.048 -0.200 0.000 1.345 98 H CB -0.253 29.360 29.762 -0.248 0.000 1.393 98 H HN 0.338 nan 8.280 nan 0.000 0.520 99 L N -0.143 121.013 121.223 -0.111 0.000 2.599 99 L HA 0.095 4.435 4.340 -0.000 0.000 0.230 99 L C 1.670 178.443 176.870 -0.161 0.000 1.141 99 L CA 0.587 55.356 54.840 -0.119 0.000 0.877 99 L CB 0.067 42.069 42.059 -0.095 0.000 1.009 99 L HN 0.525 nan 8.230 nan 0.000 0.447 100 G N 0.704 109.388 108.800 -0.194 0.000 2.162 100 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 100 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 100 G C 0.349 175.142 174.900 -0.179 0.000 0.976 100 G CA 0.403 45.404 45.100 -0.165 0.000 0.655 100 G HN 0.295 nan 8.290 nan 0.000 0.533 101 V N -1.206 118.543 119.914 -0.275 0.000 2.686 101 V HA 0.682 4.802 4.120 -0.000 0.000 0.295 101 V C 0.950 176.853 176.094 -0.319 0.000 1.057 101 V CA 0.497 62.620 62.300 -0.296 0.000 1.012 101 V CB 1.487 33.072 31.823 -0.397 0.000 1.006 101 V HN 0.108 nan 8.190 nan 0.000 0.477 102 D N 3.664 123.942 120.400 -0.203 0.000 2.369 102 D HA 0.173 4.813 4.640 -0.000 0.000 0.231 102 D C 0.652 176.872 176.300 -0.133 0.000 0.967 102 D CA 0.940 54.851 54.000 -0.149 0.000 0.905 102 D CB 0.338 41.096 40.800 -0.070 0.000 1.044 102 D HN 0.639 nan 8.370 nan 0.000 0.487 103 R N -0.062 120.397 120.500 -0.068 0.000 2.837 103 R HA 0.511 4.851 4.340 -0.000 0.000 0.271 103 R C -1.168 175.257 176.300 0.210 0.000 0.993 103 R CA -0.858 55.286 56.100 0.074 0.000 0.931 103 R CB 2.586 32.949 30.300 0.105 0.000 1.206 103 R HN 0.038 nan 8.270 nan 0.000 0.474 104 W N -0.023 121.329 121.300 0.087 0.000 3.153 104 W HA 0.266 4.926 4.660 0.000 0.000 0.316 104 W C -1.434 175.150 176.519 0.108 0.000 1.255 104 W CA -1.189 56.214 57.345 0.096 0.000 1.192 104 W CB 0.112 29.620 29.460 0.080 0.000 1.400 104 W HN 0.583 nan 8.180 nan 0.000 0.568 105 Q N 1.563 121.509 119.800 0.243 0.000 2.313 105 Q HA 0.471 4.811 4.340 -0.000 0.000 0.266 105 Q C -1.074 174.882 176.000 -0.073 0.000 0.989 105 Q CA -0.069 55.788 55.803 0.090 0.000 0.890 105 Q CB 1.213 30.046 28.738 0.159 0.000 1.200 105 Q HN 0.399 nan 8.270 nan 0.000 0.396 106 V N 5.894 125.771 119.914 -0.061 0.000 2.347 106 V HA 0.348 4.468 4.120 -0.000 0.000 0.280 106 V C -0.693 175.403 176.094 0.003 0.000 1.021 106 V CA -0.599 61.631 62.300 -0.115 0.000 0.847 106 V CB 0.652 32.442 31.823 -0.054 0.000 0.990 106 V HN 0.669 nan 8.190 nan 0.000 0.444 107 F N 3.917 123.772 119.950 -0.158 0.000 2.426 107 F HA 0.868 5.395 4.527 -0.000 0.000 0.348 107 F C 0.362 176.076 175.800 -0.144 0.000 1.124 107 F CA -0.325 57.610 58.000 -0.107 0.000 1.008 107 F CB 1.591 40.572 39.000 -0.031 0.000 1.139 107 F HN 0.602 nan 8.300 nan 0.000 0.452 108 G N 2.860 111.456 108.800 -0.340 0.000 2.742 108 G HA2 0.559 4.519 3.960 -0.000 0.000 0.296 108 G HA3 0.559 4.519 3.960 -0.000 0.000 0.296 108 G C -1.584 173.099 174.900 -0.362 0.000 1.436 108 G CA -0.484 44.467 45.100 -0.249 0.000 0.928 108 G HN 1.015 nan 8.290 nan 0.000 0.520 109 G N -0.578 108.074 108.800 -0.247 0.000 2.574 109 G HA2 0.720 4.680 3.960 -0.000 0.000 0.299 109 G HA3 0.720 4.680 3.960 -0.000 0.000 0.299 109 G C 0.260 175.104 174.900 -0.095 0.000 1.298 109 G CA 0.795 45.745 45.100 -0.251 0.000 0.952 109 G HN 1.886 nan 8.290 nan 0.000 0.477 110 S N -0.830 114.837 115.700 -0.055 0.000 3.938 110 S HA -0.289 4.181 4.470 -0.000 0.000 0.624 110 S C 1.445 176.164 174.600 0.197 0.000 2.186 110 S CA 1.657 59.936 58.200 0.132 0.000 4.144 110 S CB -1.560 61.776 63.200 0.227 0.000 0.230 110 S HN 1.542 nan 8.310 nan 0.000 0.755 111 W N 2.590 123.988 121.300 0.163 0.000 2.341 111 W HA -0.079 4.581 4.660 -0.000 0.000 0.283 111 W C 1.959 178.549 176.519 0.119 0.000 1.215 111 W CA 1.756 59.252 57.345 0.252 0.000 1.211 111 W CB -1.386 28.203 29.460 0.215 0.000 1.131 111 W HN 0.717 nan 8.180 nan 0.000 0.552 112 G N 0.955 109.691 108.800 -0.107 0.000 2.442 112 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.219 112 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.219 112 G C 1.706 176.425 174.900 -0.301 0.000 1.141 112 G CA 2.039 46.991 45.100 -0.247 0.000 0.763 112 G HN 0.417 nan 8.290 nan 0.000 0.554 113 S N 0.153 115.733 115.700 -0.200 0.000 2.383 113 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 113 S C 2.252 176.726 174.600 -0.210 0.000 1.026 113 S CA 1.940 60.041 58.200 -0.165 0.000 0.981 113 S CB -0.769 62.388 63.200 -0.071 0.000 0.818 113 S HN 0.293 nan 8.310 nan 0.000 0.472 114 T N 2.859 117.246 114.554 -0.278 0.000 2.708 114 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 114 T C 1.718 176.107 174.700 -0.518 0.000 1.037 114 T CA 1.233 63.121 62.100 -0.353 0.000 1.146 114 T CB -0.514 68.112 68.868 -0.403 0.000 0.865 114 T HN 0.252 nan 8.240 nan 0.000 0.435 115 L N 0.477 121.200 121.223 -0.833 0.000 2.093 115 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 115 L C 2.899 179.636 176.870 -0.221 0.000 1.085 115 L CA 1.230 55.731 54.840 -0.565 0.000 0.755 115 L CB -0.622 41.088 42.059 -0.581 0.000 0.904 115 L HN 0.296 nan 8.230 nan 0.000 0.435 116 A N -0.012 122.680 122.820 -0.213 0.000 1.902 116 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 116 A C 2.150 179.694 177.584 -0.067 0.000 1.181 116 A CA 1.414 53.401 52.037 -0.084 0.000 0.623 116 A CB -0.615 18.312 19.000 -0.122 0.000 0.818 116 A HN 0.424 nan 8.150 nan 0.000 0.443 117 L N -0.912 120.223 121.223 -0.147 0.000 2.005 117 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 117 L C 3.158 179.960 176.870 -0.113 0.000 1.072 117 L CA 1.072 55.802 54.840 -0.183 0.000 0.744 117 L CB -0.643 41.293 42.059 -0.205 0.000 0.895 117 L HN 0.434 nan 8.230 nan 0.000 0.433 118 A N -0.525 122.263 122.820 -0.053 0.000 1.883 118 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 118 A C 2.219 179.899 177.584 0.159 0.000 1.186 118 A CA 1.988 54.075 52.037 0.083 0.000 0.624 118 A CB -1.038 17.978 19.000 0.027 0.000 0.822 118 A HN 0.487 nan 8.150 nan 0.000 0.444 119 Y N 0.651 120.967 120.300 0.026 0.000 2.097 119 Y HA -0.119 4.431 4.550 0.000 0.000 0.282 119 Y C 2.692 178.642 175.900 0.084 0.000 1.152 119 Y CA 1.407 59.567 58.100 0.099 0.000 1.136 119 Y CB -0.846 37.652 38.460 0.063 0.000 0.975 119 Y HN 0.299 nan 8.280 nan 0.000 0.498 120 A N 0.116 122.819 122.820 -0.197 0.000 1.940 120 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 120 A C 2.101 179.525 177.584 -0.265 0.000 1.176 120 A CA 1.969 53.832 52.037 -0.290 0.000 0.631 120 A CB -0.735 18.139 19.000 -0.211 0.000 0.814 120 A HN 0.708 nan 8.150 nan 0.000 0.446 121 Q N -1.201 118.471 119.800 -0.213 0.000 2.297 121 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 121 Q C 1.769 177.650 176.000 -0.197 0.000 0.962 121 Q CA 1.546 57.221 55.803 -0.214 0.000 0.879 121 Q CB -0.062 28.562 28.738 -0.189 0.000 0.947 121 Q HN 0.680 nan 8.270 nan 0.000 0.462 122 T N -1.101 113.342 114.554 -0.184 0.000 3.010 122 T HA 0.001 4.351 4.350 -0.000 0.000 0.252 122 T C 0.004 174.357 174.700 -0.579 0.000 1.047 122 T CA 0.748 62.668 62.100 -0.300 0.000 1.140 122 T CB 0.094 68.878 68.868 -0.140 0.000 0.885 122 T HN 0.252 nan 8.240 nan 0.000 0.464 123 H N 0.234 119.140 119.070 -0.273 0.000 2.488 123 H HA 0.283 4.839 4.556 -0.000 0.000 0.237 123 H C -2.175 172.967 175.328 -0.311 0.000 1.395 123 H CA -1.562 54.311 56.048 -0.292 0.000 1.491 123 H CB 1.466 31.018 29.762 -0.349 0.000 1.567 123 H HN 0.079 nan 8.280 nan 0.000 0.508 124 P HA -0.178 nan 4.420 nan 0.000 0.215 124 P C 1.567 178.848 177.300 -0.032 0.000 1.157 124 P CA 0.940 63.979 63.100 -0.101 0.000 0.863 124 P CB 0.478 32.123 31.700 -0.093 0.000 0.787 125 Q N -0.710 119.090 119.800 -0.000 0.000 2.508 125 Q HA -0.125 4.215 4.340 -0.000 0.000 0.214 125 Q C 1.301 177.334 176.000 0.054 0.000 0.979 125 Q CA 1.134 56.954 55.803 0.028 0.000 0.911 125 Q CB -0.557 28.198 28.738 0.029 0.000 0.969 125 Q HN 0.323 nan 8.270 nan 0.000 0.504 126 Q N -1.341 118.505 119.800 0.077 0.000 2.194 126 Q HA 0.220 4.559 4.340 -0.000 0.000 0.214 126 Q C -0.508 175.670 176.000 0.296 0.000 0.838 126 Q CA -0.042 55.855 55.803 0.156 0.000 0.972 126 Q CB 0.824 29.672 28.738 0.183 0.000 1.131 126 Q HN 0.015 nan 8.270 nan 0.000 0.498 127 V N 2.301 122.321 119.914 0.178 0.000 2.384 127 V HA 0.181 4.301 4.120 -0.000 0.000 0.287 127 V C 1.292 177.460 176.094 0.123 0.000 1.020 127 V CA 0.025 62.434 62.300 0.183 0.000 0.850 127 V CB 1.500 33.365 31.823 0.071 0.000 0.987 127 V HN 0.313 nan 8.190 nan 0.000 0.436 128 T N 2.053 116.690 114.554 0.137 0.000 2.852 128 T HA 0.181 4.531 4.350 -0.000 0.000 0.256 128 T C 0.412 175.116 174.700 0.007 0.000 1.038 128 T CA 0.442 62.594 62.100 0.087 0.000 1.141 128 T CB 0.300 69.239 68.868 0.118 0.000 0.869 128 T HN 0.588 nan 8.240 nan 0.000 0.439 129 E N -0.672 119.493 120.200 -0.057 0.000 2.449 129 E HA 0.746 5.096 4.350 -0.000 0.000 0.278 129 E C -1.798 174.740 176.600 -0.104 0.000 0.992 129 E CA -0.678 55.598 56.400 -0.208 0.000 0.807 129 E CB 2.180 31.433 29.700 -0.746 0.000 1.350 129 E HN 0.170 nan 8.360 nan 0.000 0.462 130 L N 0.997 122.196 121.223 -0.040 0.000 2.381 130 L HA 0.585 4.925 4.340 -0.000 0.000 0.274 130 L C -1.259 175.645 176.870 0.056 0.000 0.988 130 L CA -0.971 53.896 54.840 0.045 0.000 0.824 130 L CB 1.892 44.032 42.059 0.135 0.000 1.263 130 L HN 0.279 nan 8.230 nan 0.000 0.410 131 V N 5.267 125.166 119.914 -0.025 0.000 2.250 131 V HA 0.369 4.489 4.120 -0.000 0.000 0.268 131 V C 0.048 175.941 176.094 -0.334 0.000 1.043 131 V CA -0.348 61.892 62.300 -0.099 0.000 0.814 131 V CB 0.860 32.670 31.823 -0.021 0.000 1.072 131 V HN 0.508 nan 8.190 nan 0.000 0.451 132 L N 4.170 125.292 121.223 -0.169 0.000 2.343 132 L HA 0.762 5.102 4.340 -0.000 0.000 0.275 132 L C 0.210 176.937 176.870 -0.239 0.000 1.056 132 L CA -0.503 54.217 54.840 -0.200 0.000 0.804 132 L CB 1.408 43.460 42.059 -0.012 0.000 1.203 132 L HN 0.440 nan 8.230 nan 0.000 0.440 133 R N 1.238 121.564 120.500 -0.290 0.000 2.651 133 R HA 0.385 4.725 4.340 -0.000 0.000 0.278 133 R C -0.200 175.943 176.300 -0.262 0.000 1.010 133 R CA -0.019 55.903 56.100 -0.297 0.000 0.896 133 R CB 2.111 32.144 30.300 -0.445 0.000 1.211 133 R HN 0.761 nan 8.270 nan 0.000 0.456 134 G N 5.160 113.753 108.800 -0.344 0.000 2.372 134 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.290 134 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.290 134 G C 0.426 175.327 174.900 0.003 0.000 0.965 134 G CA 0.193 45.054 45.100 -0.399 0.000 1.263 134 G HN 0.459 nan 8.290 nan 0.000 0.498 135 I N 0.097 120.787 120.570 0.200 0.000 2.826 135 I HA 0.129 4.299 4.170 -0.000 0.000 0.295 135 I C 0.495 176.787 176.117 0.291 0.000 1.213 135 I CA 0.249 61.685 61.300 0.227 0.000 1.436 135 I CB -0.160 37.976 38.000 0.226 0.000 1.348 135 I HN 0.203 nan 8.210 nan 0.000 0.570 136 F N 7.638 127.605 119.950 0.029 0.000 2.539 136 F HA 0.352 4.879 4.527 0.000 0.000 0.328 136 F C -0.193 175.610 175.800 0.004 0.000 1.148 136 F CA -0.896 57.109 58.000 0.008 0.000 0.940 136 F CB 1.390 40.425 39.000 0.060 0.000 1.194 136 F HN 0.149 nan 8.300 nan 0.000 0.438 137 L N 5.927 127.068 121.223 -0.137 0.000 2.616 137 L HA 0.342 4.682 4.340 -0.000 0.000 0.229 137 L C 1.223 177.936 176.870 -0.261 0.000 1.110 137 L CA 0.443 55.173 54.840 -0.183 0.000 0.884 137 L CB -0.826 41.163 42.059 -0.117 0.000 1.115 137 L HN 0.786 nan 8.230 nan 0.000 0.481 138 L N -0.186 120.648 121.223 -0.649 0.000 4.040 138 L HA -0.306 4.034 4.340 -0.000 0.000 0.410 138 L C 0.406 177.150 176.870 -0.210 0.000 1.187 138 L CA 0.208 54.714 54.840 -0.557 0.000 0.956 138 L CB -0.680 41.294 42.059 -0.141 0.000 2.022 138 L HN 0.323 nan 8.230 nan 0.000 0.897 139 R N -0.135 120.207 120.500 -0.263 0.000 2.490 139 R HA 0.183 4.523 4.340 -0.000 0.000 0.278 139 R C 1.254 177.454 176.300 -0.166 0.000 1.069 139 R CA -0.313 55.705 56.100 -0.138 0.000 1.080 139 R CB 0.524 30.747 30.300 -0.129 0.000 1.030 139 R HN 0.157 nan 8.270 nan 0.000 0.491 140 R N 2.004 122.505 120.500 0.001 0.000 2.139 140 R HA -0.211 4.128 4.340 -0.000 0.000 0.243 140 R C 1.845 178.204 176.300 0.099 0.000 1.145 140 R CA 2.026 58.159 56.100 0.054 0.000 0.976 140 R CB -0.286 30.079 30.300 0.108 0.000 0.866 140 R HN 0.734 nan 8.270 nan 0.000 0.449 141 F N 0.212 120.221 119.950 0.099 0.000 2.293 141 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 141 F C 1.390 177.306 175.800 0.192 0.000 1.086 141 F CA 0.998 59.079 58.000 0.135 0.000 1.375 141 F CB -0.405 38.656 39.000 0.101 0.000 1.045 141 F HN 0.046 nan 8.300 nan 0.000 0.516 142 E N 1.471 121.290 120.200 -0.636 0.000 2.028 142 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 142 E C 2.340 179.008 176.600 0.113 0.000 0.988 142 E CA 1.617 57.815 56.400 -0.337 0.000 0.799 142 E CB -0.445 28.986 29.700 -0.448 0.000 0.755 142 E HN 0.472 nan 8.360 nan 0.000 0.447 143 L N 1.257 122.524 121.223 0.073 0.000 1.990 143 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 143 L C 2.455 179.539 176.870 0.356 0.000 1.072 143 L CA 1.459 56.438 54.840 0.232 0.000 0.755 143 L CB -0.603 41.540 42.059 0.139 0.000 0.889 143 L HN 0.152 nan 8.230 nan 0.000 0.432 144 E N -0.615 119.761 120.200 0.294 0.000 2.153 144 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 144 E C 1.907 178.684 176.600 0.295 0.000 0.988 144 E CA 1.275 57.856 56.400 0.302 0.000 0.811 144 E CB -0.266 29.593 29.700 0.264 0.000 0.746 144 E HN 0.639 nan 8.360 nan 0.000 0.466 145 W N 1.032 122.434 121.300 0.170 0.000 2.333 145 W HA -0.261 4.399 4.660 -0.000 0.000 0.316 145 W C 1.753 178.370 176.519 0.162 0.000 1.215 145 W CA 1.086 58.521 57.345 0.150 0.000 1.278 145 W CB -0.547 29.002 29.460 0.149 0.000 1.154 145 W HN 0.036 nan 8.180 nan 0.000 0.486 146 F N 0.384 120.359 119.950 0.041 0.000 2.098 146 F HA -0.112 4.415 4.527 -0.000 0.000 0.294 146 F C 2.075 177.774 175.800 -0.169 0.000 1.107 146 F CA 1.506 59.385 58.000 -0.203 0.000 1.234 146 F CB -1.307 37.421 39.000 -0.453 0.000 1.002 146 F HN -0.204 nan 8.300 nan 0.000 0.472 147 Y N -1.081 119.265 120.300 0.077 0.000 2.500 147 Y HA 0.072 4.622 4.550 -0.000 0.000 0.270 147 Y C 2.199 178.246 175.900 0.246 0.000 1.134 147 Y CA 0.655 58.732 58.100 -0.039 0.000 1.293 147 Y CB -0.313 38.161 38.460 0.023 0.000 1.063 147 Y HN 0.176 nan 8.280 nan 0.000 0.534 148 Q N 0.361 120.376 119.800 0.359 0.000 2.619 148 Q HA 0.209 4.549 4.340 -0.000 0.000 0.230 148 Q C -0.429 175.681 176.000 0.184 0.000 0.871 148 Q CA 0.594 56.607 55.803 0.350 0.000 0.934 148 Q CB 1.112 30.010 28.738 0.266 0.000 1.183 148 Q HN 0.306 nan 8.270 nan 0.000 0.631 149 E N -2.206 117.957 120.200 -0.062 0.000 2.451 149 E HA 0.474 4.824 4.350 -0.000 0.000 0.295 149 E C -0.815 175.529 176.600 -0.427 0.000 0.966 149 E CA 0.220 56.430 56.400 -0.317 0.000 0.808 149 E CB 0.900 30.516 29.700 -0.140 0.000 1.242 149 E HN 0.298 nan 8.360 nan 0.000 0.412 150 G N 2.139 110.491 108.800 -0.746 0.000 2.191 150 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.090 150 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.090 150 G C 0.863 174.936 174.900 -1.379 0.000 1.980 150 G CA 0.357 44.667 45.100 -1.317 0.000 1.116 150 G HN 0.758 nan 8.290 nan 0.000 0.313 151 A N 1.142 123.163 122.820 -1.333 0.000 2.076 151 A HA 0.155 4.475 4.320 -0.000 0.000 0.220 151 A C 2.596 180.110 177.584 -0.115 0.000 1.160 151 A CA 3.168 54.989 52.037 -0.360 0.000 0.653 151 A CB -0.865 18.213 19.000 0.130 0.000 0.801 151 A HN 1.633 nan 8.150 nan 0.000 0.455 152 S N -0.233 115.147 115.700 -0.535 0.000 2.419 152 S HA -0.213 4.257 4.470 -0.000 0.000 0.235 152 S C 1.868 176.201 174.600 -0.446 0.000 1.019 152 S CA 1.446 59.150 58.200 -0.826 0.000 0.982 152 S CB -0.317 61.583 63.200 -2.166 0.000 0.789 152 S HN 0.552 nan 8.310 nan 0.000 0.490 153 R N 0.677 120.952 120.500 -0.375 0.000 2.115 153 R HA 0.319 4.659 4.340 -0.000 0.000 0.226 153 R C 2.063 178.277 176.300 -0.143 0.000 1.100 153 R CA 1.021 56.982 56.100 -0.231 0.000 0.980 153 R CB -0.523 29.652 30.300 -0.208 0.000 0.875 153 R HN 0.429 nan 8.270 nan 0.000 0.445 154 L N -1.733 119.417 121.223 -0.122 0.000 2.249 154 L HA 0.099 4.438 4.340 -0.000 0.000 0.207 154 L C 0.224 176.858 176.870 -0.394 0.000 1.090 154 L CA 0.766 55.474 54.840 -0.221 0.000 0.802 154 L CB 0.153 42.105 42.059 -0.178 0.000 0.947 154 L HN -0.000 nan 8.230 nan 0.000 0.453 155 F N -0.469 119.526 119.950 0.076 0.000 2.532 155 F HA 0.303 4.830 4.527 -0.000 0.000 0.313 155 F C -1.669 174.266 175.800 0.226 0.000 1.301 155 F CA -1.959 56.148 58.000 0.179 0.000 1.154 155 F CB 0.092 39.254 39.000 0.271 0.000 1.335 155 F HN -0.118 nan 8.300 nan 0.000 0.542 156 P HA -0.178 nan 4.420 nan 0.000 0.215 156 P C 1.363 178.793 177.300 0.217 0.000 1.157 156 P CA 1.601 64.803 63.100 0.169 0.000 0.863 156 P CB 0.159 31.897 31.700 0.063 0.000 0.787 157 D N 0.392 120.892 120.400 0.166 0.000 2.116 157 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 157 D C 1.798 178.126 176.300 0.048 0.000 0.998 157 D CA 2.128 56.191 54.000 0.106 0.000 0.836 157 D CB -1.344 39.531 40.800 0.126 0.000 0.951 157 D HN 0.178 nan 8.370 nan 0.000 0.449 158 A N 0.008 122.989 122.820 0.269 0.000 1.930 158 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 158 A C 2.174 179.929 177.584 0.286 0.000 1.176 158 A CA 1.067 53.303 52.037 0.332 0.000 0.632 158 A CB -1.511 17.830 19.000 0.568 0.000 0.819 158 A HN 0.517 nan 8.150 nan 0.000 0.445 159 W N 1.340 122.706 121.300 0.111 0.000 2.321 159 W HA -0.221 4.439 4.660 -0.000 0.000 0.306 159 W C 1.641 178.080 176.519 -0.133 0.000 1.217 159 W CA 2.062 59.272 57.345 -0.224 0.000 1.257 159 W CB -0.182 29.163 29.460 -0.191 0.000 1.145 159 W HN 0.550 nan 8.180 nan 0.000 0.509 160 E N -0.879 119.287 120.200 -0.058 0.000 2.171 160 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 160 E C 1.641 178.161 176.600 -0.133 0.000 0.997 160 E CA 1.927 58.244 56.400 -0.139 0.000 0.810 160 E CB -0.584 29.048 29.700 -0.114 0.000 0.738 160 E HN 0.589 nan 8.360 nan 0.000 0.467 161 H N -1.492 117.587 119.070 0.016 0.000 2.395 161 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 161 H C 1.874 177.199 175.328 -0.004 0.000 1.070 161 H CA 1.141 57.211 56.048 0.037 0.000 1.356 161 H CB -0.078 29.758 29.762 0.122 0.000 1.401 161 H HN 0.190 nan 8.280 nan 0.000 0.524 162 Y N 1.490 121.689 120.300 -0.168 0.000 2.145 162 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 162 Y C 2.202 177.916 175.900 -0.311 0.000 1.145 162 Y CA 1.152 59.068 58.100 -0.307 0.000 1.148 162 Y CB -0.412 37.507 38.460 -0.902 0.000 0.981 162 Y HN 0.078 nan 8.280 nan 0.000 0.507 163 L N 0.465 121.388 121.223 -0.500 0.000 2.012 163 L HA -0.322 4.018 4.340 -0.000 0.000 0.210 163 L C 2.067 178.789 176.870 -0.247 0.000 1.073 163 L CA 2.129 56.705 54.840 -0.440 0.000 0.748 163 L CB -0.827 40.982 42.059 -0.417 0.000 0.891 163 L HN 0.404 nan 8.230 nan 0.000 0.431 164 N N -0.351 118.260 118.700 -0.149 0.000 2.334 164 N HA -0.176 4.564 4.740 -0.000 0.000 0.187 164 N C 1.631 177.069 175.510 -0.119 0.000 1.016 164 N CA 0.808 53.805 53.050 -0.088 0.000 0.879 164 N CB -0.051 38.431 38.487 -0.008 0.000 0.965 164 N HN 0.340 nan 8.380 nan 0.000 0.438 165 A N 0.446 123.169 122.820 -0.161 0.000 2.168 165 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 165 A C 0.535 177.895 177.584 -0.372 0.000 1.152 165 A CA 0.696 52.596 52.037 -0.229 0.000 0.716 165 A CB 0.125 19.001 19.000 -0.206 0.000 0.794 165 A HN 0.101 nan 8.150 nan 0.000 0.465 166 I N -0.274 120.086 120.570 -0.349 0.000 2.509 166 I HA 0.371 4.541 4.170 -0.000 0.000 0.293 166 I C -2.887 173.117 176.117 -0.188 0.000 1.020 166 I CA -3.224 57.877 61.300 -0.332 0.000 1.088 166 I CB 1.310 39.098 38.000 -0.352 0.000 1.267 166 I HN -0.143 nan 8.210 nan 0.000 0.430 167 P HA 0.251 nan 4.420 nan 0.000 0.271 167 P C -2.048 175.211 177.300 -0.068 0.000 1.218 167 P CA -1.118 61.926 63.100 -0.093 0.000 0.780 167 P CB 0.212 31.863 31.700 -0.080 0.000 0.901 168 P HA -0.257 nan 4.420 nan 0.000 0.218 168 P C 1.413 178.705 177.300 -0.012 0.000 1.165 168 P CA 1.764 64.851 63.100 -0.022 0.000 0.922 168 P CB -0.462 31.231 31.700 -0.013 0.000 0.794 169 V N -2.519 117.386 119.914 -0.014 0.000 3.186 169 V HA -0.141 3.979 4.120 -0.000 0.000 0.270 169 V C 1.512 177.603 176.094 -0.006 0.000 1.149 169 V CA 1.738 64.034 62.300 -0.007 0.000 1.160 169 V CB -1.308 30.510 31.823 -0.009 0.000 0.758 169 V HN 0.160 nan 8.190 nan 0.000 0.516 170 E N -0.263 119.926 120.200 -0.018 0.000 2.489 170 E HA 0.172 4.522 4.350 -0.000 0.000 0.204 170 E C 1.766 178.369 176.600 0.005 0.000 1.006 170 E CA -0.275 56.115 56.400 -0.016 0.000 0.936 170 E CB 0.239 29.910 29.700 -0.048 0.000 1.002 170 E HN 0.454 nan 8.360 nan 0.000 0.488 171 R N 0.626 121.132 120.500 0.010 0.000 2.369 171 R HA -0.002 4.338 4.340 -0.000 0.000 0.200 171 R C 1.663 178.016 176.300 0.088 0.000 1.046 171 R CA 0.621 56.747 56.100 0.043 0.000 1.057 171 R CB -0.055 30.265 30.300 0.033 0.000 0.888 171 R HN 0.089 nan 8.270 nan 0.000 0.474 172 A N -0.335 122.531 122.820 0.077 0.000 1.975 172 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 172 A C 0.408 178.061 177.584 0.114 0.000 1.170 172 A CA 0.935 53.025 52.037 0.089 0.000 0.656 172 A CB 0.291 19.331 19.000 0.066 0.000 0.821 172 A HN 0.271 nan 8.150 nan 0.000 0.449 173 D N -1.040 119.430 120.400 0.117 0.000 2.405 173 D HA 0.447 5.087 4.640 -0.000 0.000 0.264 173 D C 0.753 177.161 176.300 0.181 0.000 1.240 173 D CA -0.312 53.776 54.000 0.146 0.000 0.893 173 D CB 0.126 40.994 40.800 0.114 0.000 1.198 173 D HN 0.111 nan 8.370 nan 0.000 0.514 174 L N 1.887 123.257 121.223 0.245 0.000 2.043 174 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 174 L C 2.367 179.513 176.870 0.461 0.000 1.075 174 L CA 1.208 56.251 54.840 0.338 0.000 0.752 174 L CB -0.401 41.900 42.059 0.403 0.000 0.891 174 L HN 0.550 nan 8.230 nan 0.000 0.432 175 M N -0.498 119.342 119.600 0.399 0.000 2.080 175 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 175 M C 2.656 179.113 176.300 0.261 0.000 1.068 175 M CA 2.356 57.888 55.300 0.387 0.000 1.109 175 M CB -0.461 32.337 32.600 0.330 0.000 1.342 175 M HN 0.451 nan 8.290 nan 0.000 0.405 176 S N 0.362 116.169 115.700 0.179 0.000 2.402 176 S HA -0.026 4.444 4.470 -0.000 0.000 0.229 176 S C 2.058 176.735 174.600 0.128 0.000 1.021 176 S CA 0.880 59.149 58.200 0.116 0.000 0.974 176 S CB -0.565 62.671 63.200 0.060 0.000 0.800 176 S HN 0.437 nan 8.310 nan 0.000 0.484 177 A N 0.873 123.765 122.820 0.120 0.000 1.940 177 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 177 A C 1.882 179.426 177.584 -0.067 0.000 1.176 177 A CA 1.365 53.408 52.037 0.010 0.000 0.631 177 A CB -1.030 17.953 19.000 -0.030 0.000 0.814 177 A HN 0.557 nan 8.150 nan 0.000 0.446 178 F N -1.253 118.667 119.950 -0.049 0.000 2.163 178 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 178 F C 2.256 177.954 175.800 -0.170 0.000 1.094 178 F CA 1.644 59.564 58.000 -0.134 0.000 1.290 178 F CB -0.589 38.312 39.000 -0.164 0.000 1.017 178 F HN 0.463 nan 8.300 nan 0.000 0.483 179 H N 0.356 119.399 119.070 -0.045 0.000 2.353 179 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 179 H C 2.333 177.603 175.328 -0.096 0.000 1.103 179 H CA 1.961 57.943 56.048 -0.109 0.000 1.293 179 H CB -0.006 29.712 29.762 -0.073 0.000 1.372 179 H HN 0.046 nan 8.280 nan 0.000 0.501 180 R N -0.317 120.171 120.500 -0.021 0.000 2.096 180 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 180 R C 2.508 178.714 176.300 -0.157 0.000 1.127 180 R CA 1.562 57.606 56.100 -0.093 0.000 0.968 180 R CB -0.058 30.218 30.300 -0.041 0.000 0.861 180 R HN 0.333 nan 8.270 nan 0.000 0.440 181 R N -0.155 120.243 120.500 -0.170 0.000 2.075 181 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 181 R C 1.731 177.925 176.300 -0.177 0.000 1.114 181 R CA 0.652 56.645 56.100 -0.178 0.000 0.972 181 R CB -0.081 30.085 30.300 -0.222 0.000 0.869 181 R HN 0.018 nan 8.270 nan 0.000 0.437 182 L N 0.110 121.212 121.223 -0.202 0.000 2.549 182 L HA -0.046 4.294 4.340 -0.000 0.000 0.229 182 L C 1.343 178.062 176.870 -0.252 0.000 1.158 182 L CA 1.710 56.418 54.840 -0.219 0.000 0.842 182 L CB -0.297 41.596 42.059 -0.276 0.000 0.952 182 L HN 0.110 nan 8.230 nan 0.000 0.452 183 T N -2.497 111.884 114.554 -0.289 0.000 3.040 183 T HA 0.106 4.456 4.350 -0.000 0.000 0.266 183 T C 0.945 175.534 174.700 -0.186 0.000 1.005 183 T CA 0.049 61.978 62.100 -0.286 0.000 0.906 183 T CB 0.281 68.859 68.868 -0.482 0.000 1.082 183 T HN 0.190 nan 8.240 nan 0.000 0.531 184 S N 1.086 116.692 115.700 -0.157 0.000 2.572 184 S HA -0.010 4.460 4.470 -0.000 0.000 0.267 184 S C 1.020 175.565 174.600 -0.092 0.000 1.361 184 S CA -0.158 57.974 58.200 -0.113 0.000 1.009 184 S CB 0.370 63.507 63.200 -0.104 0.000 0.888 184 S HN 0.261 nan 8.310 nan 0.000 0.553 185 D N 0.641 120.998 120.400 -0.072 0.000 2.213 185 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 185 D C 0.090 176.359 176.300 -0.052 0.000 0.961 185 D CA 0.547 54.512 54.000 -0.058 0.000 0.853 185 D CB -0.220 40.552 40.800 -0.046 0.000 0.967 185 D HN 0.603 nan 8.370 nan 0.000 0.496 186 D N 1.500 121.868 120.400 -0.053 0.000 2.346 186 D HA -0.056 4.584 4.640 -0.000 0.000 0.260 186 D C 1.167 177.439 176.300 -0.047 0.000 1.252 186 D CA 0.151 54.123 54.000 -0.046 0.000 0.895 186 D CB 0.965 41.737 40.800 -0.046 0.000 1.097 186 D HN 0.021 nan 8.370 nan 0.000 0.489 187 E N 3.324 123.502 120.200 -0.037 0.000 2.118 187 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 187 E C 1.550 178.133 176.600 -0.028 0.000 0.992 187 E CA 1.182 57.563 56.400 -0.031 0.000 0.804 187 E CB 0.095 29.784 29.700 -0.019 0.000 0.741 187 E HN 0.597 nan 8.360 nan 0.000 0.458 188 A N 0.251 123.055 122.820 -0.027 0.000 1.877 188 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 188 A C 2.419 179.982 177.584 -0.034 0.000 1.186 188 A CA 1.956 53.978 52.037 -0.025 0.000 0.620 188 A CB -1.014 17.972 19.000 -0.024 0.000 0.822 188 A HN 0.327 nan 8.150 nan 0.000 0.443 189 T N 0.039 114.564 114.554 -0.048 0.000 2.684 189 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 189 T C 2.008 176.663 174.700 -0.075 0.000 1.036 189 T CA 1.939 63.999 62.100 -0.067 0.000 1.148 189 T CB -0.303 68.519 68.868 -0.075 0.000 0.863 189 T HN 0.784 nan 8.240 nan 0.000 0.436 190 R N 0.520 120.978 120.500 -0.071 0.000 2.236 190 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 190 R C 2.250 178.523 176.300 -0.045 0.000 1.036 190 R CA 0.678 56.732 56.100 -0.078 0.000 1.001 190 R CB -0.442 29.803 30.300 -0.093 0.000 0.896 190 R HN 0.289 nan 8.270 nan 0.000 0.464 191 L N 1.072 122.280 121.223 -0.025 0.000 2.068 191 L HA 0.143 4.483 4.340 -0.000 0.000 0.204 191 L C 2.502 179.387 176.870 0.024 0.000 1.076 191 L CA 1.914 56.757 54.840 0.005 0.000 0.753 191 L CB -0.576 41.488 42.059 0.009 0.000 0.910 191 L HN 0.258 nan 8.230 nan 0.000 0.439 192 A N -0.356 122.467 122.820 0.005 0.000 1.908 192 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 192 A C 2.413 180.020 177.584 0.039 0.000 1.181 192 A CA 2.068 54.113 52.037 0.012 0.000 0.627 192 A CB -1.186 17.800 19.000 -0.025 0.000 0.818 192 A HN 0.576 nan 8.150 nan 0.000 0.445 193 A N -0.293 122.532 122.820 0.009 0.000 1.855 193 A HA 0.228 4.548 4.320 -0.000 0.000 0.215 193 A C 2.535 180.263 177.584 0.241 0.000 1.191 193 A CA 1.977 54.053 52.037 0.064 0.000 0.613 193 A CB -1.132 17.824 19.000 -0.072 0.000 0.829 193 A HN 1.125 nan 8.150 nan 0.000 0.442 194 A N -0.302 122.591 122.820 0.122 0.000 1.978 194 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 194 A C 2.119 179.847 177.584 0.240 0.000 1.170 194 A CA 1.953 54.067 52.037 0.128 0.000 0.636 194 A CB -0.413 18.604 19.000 0.027 0.000 0.810 194 A HN 0.557 nan 8.150 nan 0.000 0.448 195 K N -0.591 119.935 120.400 0.210 0.000 2.031 195 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 195 K C 2.428 179.217 176.600 0.315 0.000 1.049 195 K CA 0.976 57.403 56.287 0.233 0.000 0.939 195 K CB -0.331 32.265 32.500 0.160 0.000 0.717 195 K HN 0.420 nan 8.250 nan 0.000 0.438 196 A N 1.737 124.751 122.820 0.323 0.000 1.865 196 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 196 A C 1.948 179.856 177.584 0.540 0.000 1.191 196 A CA 1.468 53.738 52.037 0.388 0.000 0.623 196 A CB -1.045 18.168 19.000 0.354 0.000 0.826 196 A HN 0.644 nan 8.150 nan 0.000 0.444 197 W N 0.662 122.158 121.300 0.327 0.000 2.358 197 W HA -0.119 4.541 4.660 -0.000 0.000 0.303 197 W C 2.383 179.133 176.519 0.384 0.000 1.208 197 W CA 1.877 59.366 57.345 0.240 0.000 1.274 197 W CB -0.548 28.908 29.460 -0.006 0.000 1.138 197 W HN 0.393 nan 8.180 nan 0.000 0.515 198 S N 0.199 116.319 115.700 0.700 0.000 2.368 198 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 198 S C 1.929 176.878 174.600 0.582 0.000 1.029 198 S CA 1.558 60.180 58.200 0.704 0.000 0.988 198 S CB -0.606 62.934 63.200 0.567 0.000 0.838 198 S HN 0.034 nan 8.310 nan 0.000 0.462 199 V N 1.919 122.108 119.914 0.458 0.000 2.287 199 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 199 V C 1.986 178.269 176.094 0.314 0.000 1.053 199 V CA 2.063 64.575 62.300 0.354 0.000 1.027 199 V CB -0.963 31.050 31.823 0.316 0.000 0.646 199 V HN 0.764 nan 8.190 nan 0.000 0.447 200 W N 1.128 122.516 121.300 0.147 0.000 2.290 200 W HA -0.350 4.310 4.660 -0.000 0.000 0.318 200 W C 2.407 178.929 176.519 0.006 0.000 1.248 200 W CA 2.430 59.766 57.345 -0.014 0.000 1.263 200 W CB -0.051 29.269 29.460 -0.235 0.000 1.147 200 W HN 0.422 nan 8.180 nan 0.000 0.494 201 E N -0.250 119.943 120.200 -0.011 0.000 2.107 201 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 201 E C 2.429 179.000 176.600 -0.048 0.000 0.982 201 E CA 1.485 57.919 56.400 0.055 0.000 0.809 201 E CB -0.747 29.188 29.700 0.391 0.000 0.756 201 E HN 0.275 nan 8.360 nan 0.000 0.459 202 G N 0.526 109.241 108.800 -0.142 0.000 2.422 202 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 202 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 202 G C 1.564 176.496 174.900 0.053 0.000 1.146 202 G CA 0.695 45.604 45.100 -0.317 0.000 0.769 202 G HN 0.379 nan 8.290 nan 0.000 0.547 203 A N 0.199 123.001 122.820 -0.031 0.000 2.167 203 A HA 0.223 4.543 4.320 -0.000 0.000 0.214 203 A C 2.095 179.463 177.584 -0.361 0.000 1.151 203 A CA 1.984 53.983 52.037 -0.064 0.000 0.735 203 A CB -0.249 18.766 19.000 0.025 0.000 0.802 203 A HN 0.544 nan 8.150 nan 0.000 0.467 204 T N -5.011 109.233 114.554 -0.517 0.000 3.339 204 T HA 0.316 4.666 4.350 -0.000 0.000 0.292 204 T C 0.618 175.074 174.700 -0.408 0.000 1.012 204 T CA 0.459 62.074 62.100 -0.809 0.000 0.937 204 T CB 0.245 68.410 68.868 -1.172 0.000 1.164 204 T HN 0.028 nan 8.240 nan 0.000 0.509 205 S N 0.504 116.085 115.700 -0.199 0.000 2.540 205 S HA 0.487 4.957 4.470 -0.000 0.000 0.218 205 S C -0.589 173.670 174.600 -0.568 0.000 0.977 205 S CA -0.440 57.586 58.200 -0.290 0.000 0.918 205 S CB -0.071 63.009 63.200 -0.199 0.000 0.806 205 S HN 0.564 nan 8.310 nan 0.000 0.496 206 F N -0.457 119.432 119.950 -0.102 0.000 2.599 206 F HA 0.397 4.924 4.527 0.000 0.000 0.311 206 F C 0.432 176.242 175.800 0.017 0.000 1.076 206 F CA -1.054 56.910 58.000 -0.059 0.000 0.937 206 F CB 1.250 40.201 39.000 -0.082 0.000 1.282 206 F HN -0.183 nan 8.300 nan 0.000 0.460 207 L N 1.113 122.462 121.223 0.209 0.000 2.083 207 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 207 L C 0.088 176.919 176.870 -0.066 0.000 1.083 207 L CA 1.995 56.861 54.840 0.045 0.000 0.752 207 L CB -0.563 41.465 42.059 -0.053 0.000 0.899 207 L HN 0.532 nan 8.230 nan 0.000 0.433 208 H N -1.825 117.343 119.070 0.163 0.000 2.466 208 H HA 0.425 4.981 4.556 -0.000 0.000 0.338 208 H C -0.505 174.893 175.328 0.116 0.000 1.091 208 H CA -0.949 55.163 56.048 0.106 0.000 1.207 208 H CB 1.215 31.000 29.762 0.039 0.000 1.466 208 H HN -0.211 nan 8.280 nan 0.000 0.493 209 V N 2.789 122.843 119.914 0.234 0.000 2.540 209 V HA -0.090 4.030 4.120 -0.000 0.000 0.297 209 V C 0.485 176.631 176.094 0.087 0.000 1.024 209 V CA 0.416 62.827 62.300 0.184 0.000 1.105 209 V CB 0.183 32.122 31.823 0.194 0.000 0.938 209 V HN 0.787 nan 8.190 nan 0.000 0.482 210 D N 3.770 124.188 120.400 0.031 0.000 2.473 210 D HA 0.132 4.772 4.640 -0.000 0.000 0.226 210 D C 1.041 177.373 176.300 0.053 0.000 1.089 210 D CA -0.331 53.613 54.000 -0.092 0.000 0.883 210 D CB 1.073 41.596 40.800 -0.463 0.000 1.029 210 D HN 0.727 nan 8.370 nan 0.000 0.517 211 E N 2.623 122.849 120.200 0.044 0.000 2.114 211 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 211 E C 0.403 177.049 176.600 0.078 0.000 1.008 211 E CA 1.405 57.846 56.400 0.068 0.000 0.810 211 E CB 0.350 30.076 29.700 0.043 0.000 0.739 211 E HN 0.490 nan 8.360 nan 0.000 0.456 212 D N -0.402 120.033 120.400 0.058 0.000 2.178 212 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 212 D C 1.639 178.021 176.300 0.137 0.000 0.974 212 D CA 0.613 54.651 54.000 0.064 0.000 0.841 212 D CB -0.401 40.414 40.800 0.025 0.000 0.953 212 D HN 0.213 nan 8.370 nan 0.000 0.478 213 F N 1.481 121.436 119.950 0.008 0.000 2.113 213 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 213 F C 2.256 178.136 175.800 0.132 0.000 1.103 213 F CA 0.795 58.852 58.000 0.095 0.000 1.248 213 F CB -0.334 38.746 39.000 0.133 0.000 0.999 213 F HN -0.240 nan 8.300 nan 0.000 0.475 214 V N -0.332 119.705 119.914 0.204 0.000 2.233 214 V HA -0.372 3.748 4.120 -0.000 0.000 0.247 214 V C 2.360 178.529 176.094 0.125 0.000 1.050 214 V CA 2.532 64.909 62.300 0.129 0.000 1.010 214 V CB -1.235 30.675 31.823 0.145 0.000 0.637 214 V HN 0.385 nan 8.190 nan 0.000 0.444 215 T N 0.350 114.962 114.554 0.098 0.000 2.684 215 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 215 T C 1.826 176.545 174.700 0.032 0.000 1.036 215 T CA 1.691 63.831 62.100 0.067 0.000 1.148 215 T CB -0.758 68.138 68.868 0.046 0.000 0.863 215 T HN 0.650 nan 8.240 nan 0.000 0.436 216 G N 0.089 108.877 108.800 -0.019 0.000 2.498 216 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 216 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 216 G C 1.277 176.011 174.900 -0.276 0.000 1.119 216 G CA 0.445 45.450 45.100 -0.159 0.000 0.766 216 G HN 0.580 nan 8.290 nan 0.000 0.552 217 H N 0.271 119.218 119.070 -0.205 0.000 2.544 217 H HA 0.027 4.583 4.556 -0.000 0.000 0.269 217 H C 1.825 177.265 175.328 0.187 0.000 0.970 217 H CA 1.193 57.230 56.048 -0.018 0.000 1.219 217 H CB 0.523 30.249 29.762 -0.061 0.000 1.421 217 H HN 0.681 nan 8.280 nan 0.000 0.555 218 E N 1.133 121.451 120.200 0.196 0.000 2.444 218 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 218 E C -0.210 176.474 176.600 0.140 0.000 1.041 218 E CA -0.238 56.270 56.400 0.181 0.000 0.883 218 E CB -0.008 29.780 29.700 0.147 0.000 1.024 218 E HN 0.107 nan 8.360 nan 0.000 0.470 219 D N 1.157 121.637 120.400 0.132 0.000 2.342 219 D HA 0.116 4.756 4.640 -0.000 0.000 0.260 219 D C 1.289 177.686 176.300 0.162 0.000 1.278 219 D CA 0.413 54.481 54.000 0.115 0.000 0.910 219 D CB 1.202 42.044 40.800 0.071 0.000 1.079 219 D HN 0.164 nan 8.370 nan 0.000 0.496 220 A N 4.737 127.633 122.820 0.126 0.000 2.001 220 A HA -0.327 3.993 4.320 -0.000 0.000 0.224 220 A C 2.070 179.745 177.584 0.152 0.000 1.203 220 A CA 2.010 54.119 52.037 0.120 0.000 0.667 220 A CB -0.962 18.091 19.000 0.089 0.000 0.823 220 A HN 0.907 nan 8.150 nan 0.000 0.473 221 H N -2.720 116.397 119.070 0.078 0.000 2.436 221 H HA -0.059 4.497 4.556 -0.000 0.000 0.294 221 H C 1.887 177.329 175.328 0.190 0.000 1.048 221 H CA 1.580 57.677 56.048 0.083 0.000 1.353 221 H CB -0.097 29.657 29.762 -0.013 0.000 1.414 221 H HN 0.548 nan 8.280 nan 0.000 0.536 222 F N 1.285 121.241 119.950 0.010 0.000 2.094 222 F HA 0.072 4.599 4.527 -0.000 0.000 0.291 222 F C 2.659 178.439 175.800 -0.033 0.000 1.109 222 F CA 1.455 59.409 58.000 -0.077 0.000 1.221 222 F CB -0.892 37.999 39.000 -0.182 0.000 1.014 222 F HN 0.139 nan 8.300 nan 0.000 0.473 223 A N 1.478 124.296 122.820 -0.003 0.000 1.915 223 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 223 A C 2.297 179.841 177.584 -0.068 0.000 1.198 223 A CA 2.108 54.139 52.037 -0.010 0.000 0.647 223 A CB -1.387 17.691 19.000 0.130 0.000 0.825 223 A HN 0.492 nan 8.150 nan 0.000 0.456 224 L N -1.154 120.036 121.223 -0.054 0.000 2.012 224 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 224 L C 2.983 179.736 176.870 -0.195 0.000 1.073 224 L CA 2.368 57.158 54.840 -0.083 0.000 0.748 224 L CB -1.506 40.545 42.059 -0.012 0.000 0.891 224 L HN 0.502 nan 8.230 nan 0.000 0.431 225 A N -1.673 120.967 122.820 -0.301 0.000 1.970 225 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 225 A C 2.099 179.509 177.584 -0.290 0.000 1.170 225 A CA 0.599 52.383 52.037 -0.422 0.000 0.645 225 A CB -0.543 18.031 19.000 -0.710 0.000 0.816 225 A HN 0.318 nan 8.150 nan 0.000 0.447 226 F N 0.993 120.624 119.950 -0.532 0.000 2.060 226 F HA -0.011 4.517 4.527 0.000 0.000 0.295 226 F C 2.628 178.276 175.800 -0.253 0.000 1.120 226 F CA 1.084 58.790 58.000 -0.490 0.000 1.205 226 F CB -0.739 37.730 39.000 -0.884 0.000 0.986 226 F HN 0.238 nan 8.300 nan 0.000 0.470 227 A N 0.486 123.250 122.820 -0.092 0.000 1.883 227 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 227 A C 2.359 179.624 177.584 -0.532 0.000 1.186 227 A CA 1.953 53.810 52.037 -0.300 0.000 0.624 227 A CB -0.777 18.116 19.000 -0.178 0.000 0.822 227 A HN 0.450 nan 8.150 nan 0.000 0.444 228 R N -0.580 119.705 120.500 -0.358 0.000 2.073 228 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 228 R C 2.028 178.169 176.300 -0.264 0.000 1.134 228 R CA 1.702 57.611 56.100 -0.319 0.000 0.952 228 R CB -0.497 29.651 30.300 -0.253 0.000 0.850 228 R HN 0.585 nan 8.270 nan 0.000 0.433 229 I N 0.305 120.719 120.570 -0.261 0.000 2.439 229 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 229 I C 2.402 178.361 176.117 -0.263 0.000 1.139 229 I CA 1.021 62.217 61.300 -0.173 0.000 1.438 229 I CB -0.243 37.628 38.000 -0.215 0.000 1.085 229 I HN 0.261 nan 8.210 nan 0.000 0.427 230 E N 1.529 121.429 120.200 -0.501 0.000 2.001 230 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 230 E C 2.122 178.150 176.600 -0.954 0.000 1.002 230 E CA 1.400 57.316 56.400 -0.807 0.000 0.819 230 E CB -0.133 29.250 29.700 -0.527 0.000 0.769 230 E HN 0.316 nan 8.360 nan 0.000 0.454 231 N N -0.143 118.141 118.700 -0.692 0.000 2.094 231 N HA -0.279 4.461 4.740 -0.000 0.000 0.191 231 N C 1.947 177.322 175.510 -0.226 0.000 1.023 231 N CA 1.871 54.565 53.050 -0.593 0.000 0.857 231 N CB -0.298 37.599 38.487 -0.982 0.000 1.013 231 N HN 0.278 nan 8.380 nan 0.000 0.426 232 H N -0.508 118.434 119.070 -0.212 0.000 2.319 232 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 232 H C 1.546 176.842 175.328 -0.052 0.000 1.092 232 H CA 2.242 58.263 56.048 -0.046 0.000 1.302 232 H CB -0.552 29.210 29.762 0.000 0.000 1.373 232 H HN 0.261 nan 8.280 nan 0.000 0.497 233 Y N -0.865 119.283 120.300 -0.254 0.000 2.293 233 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 233 Y C 2.103 178.014 175.900 0.019 0.000 1.137 233 Y CA 1.057 59.059 58.100 -0.164 0.000 1.202 233 Y CB -0.263 38.070 38.460 -0.211 0.000 0.990 233 Y HN 0.234 nan 8.280 nan 0.000 0.537 234 F N -1.623 118.348 119.950 0.035 0.000 2.098 234 F HA -0.147 4.380 4.527 -0.000 0.000 0.294 234 F C 2.487 178.233 175.800 -0.090 0.000 1.107 234 F CA 0.467 58.495 58.000 0.047 0.000 1.234 234 F CB -1.523 37.599 39.000 0.204 0.000 1.002 234 F HN -0.219 nan 8.300 nan 0.000 0.472 235 V N 0.698 120.634 119.914 0.037 0.000 2.453 235 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 235 V C 1.847 177.778 176.094 -0.271 0.000 1.068 235 V CA 1.832 64.044 62.300 -0.146 0.000 1.070 235 V CB -0.539 31.083 31.823 -0.335 0.000 0.664 235 V HN 0.396 nan 8.190 nan 0.000 0.461 236 N N -0.410 118.025 118.700 -0.441 0.000 2.336 236 N HA 0.082 4.822 4.740 -0.000 0.000 0.189 236 N C 1.269 176.415 175.510 -0.607 0.000 1.113 236 N CA 0.815 53.465 53.050 -0.667 0.000 0.858 236 N CB 0.714 38.419 38.487 -1.303 0.000 0.970 236 N HN 0.558 nan 8.380 nan 0.000 0.471 237 G N 1.022 109.616 108.800 -0.343 0.000 2.273 237 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.280 237 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.280 237 G C 0.967 175.650 174.900 -0.362 0.000 1.047 237 G CA 0.604 45.573 45.100 -0.218 0.000 0.869 237 G HN 0.536 nan 8.290 nan 0.000 0.502 238 G N -1.177 107.363 108.800 -0.433 0.000 2.175 238 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.265 238 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.265 238 G C 0.859 175.454 174.900 -0.509 0.000 0.979 238 G CA 0.815 45.611 45.100 -0.506 0.000 0.663 238 G HN 1.978 nan 8.290 nan 0.000 0.533 239 F N -3.110 116.627 119.950 -0.355 0.000 2.988 239 F HA -0.176 4.351 4.527 -0.000 0.000 0.287 239 F C 0.918 176.859 175.800 0.234 0.000 0.781 239 F CA 0.503 58.458 58.000 -0.076 0.000 1.221 239 F CB -2.372 36.586 39.000 -0.069 0.000 1.392 239 F HN 0.245 nan 8.300 nan 0.000 0.425 240 F N 0.738 120.892 119.950 0.339 0.000 2.406 240 F HA 0.258 4.785 4.527 -0.000 0.000 0.327 240 F C 1.849 177.772 175.800 0.204 0.000 1.153 240 F CA -0.819 57.397 58.000 0.360 0.000 1.218 240 F CB 0.353 39.489 39.000 0.226 0.000 1.215 240 F HN -0.017 nan 8.300 nan 0.000 0.570 241 E N -0.034 120.382 120.200 0.360 0.000 2.107 241 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 241 E C -0.312 176.373 176.600 0.142 0.000 0.982 241 E CA 0.876 57.375 56.400 0.166 0.000 0.809 241 E CB 0.372 30.115 29.700 0.072 0.000 0.756 241 E HN 0.240 nan 8.360 nan 0.000 0.459 242 V N 0.231 120.243 119.914 0.163 0.000 2.851 242 V HA 0.036 4.156 4.120 -0.000 0.000 0.307 242 V C 0.582 176.756 176.094 0.133 0.000 1.129 242 V CA -0.517 61.852 62.300 0.113 0.000 0.932 242 V CB 1.999 33.855 31.823 0.055 0.000 1.024 242 V HN 0.186 nan 8.190 nan 0.000 0.426 243 E N 3.504 123.782 120.200 0.131 0.000 2.200 243 E HA -0.292 4.058 4.350 -0.000 0.000 0.211 243 E C 0.917 177.551 176.600 0.057 0.000 1.048 243 E CA 2.489 58.969 56.400 0.134 0.000 0.851 243 E CB 0.088 29.849 29.700 0.102 0.000 0.747 243 E HN 0.941 nan 8.360 nan 0.000 0.462 244 D N -0.258 120.148 120.400 0.011 0.000 2.460 244 D HA -0.066 4.574 4.640 -0.000 0.000 0.229 244 D C 1.347 177.575 176.300 -0.119 0.000 1.170 244 D CA -0.069 53.906 54.000 -0.042 0.000 0.827 244 D CB 0.058 40.860 40.800 0.004 0.000 0.973 244 D HN 0.381 nan 8.370 nan 0.000 0.496 245 Q N 0.423 120.103 119.800 -0.201 0.000 2.135 245 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 245 Q C 1.910 177.730 176.000 -0.299 0.000 0.981 245 Q CA 1.075 56.730 55.803 -0.246 0.000 0.856 245 Q CB 0.039 28.606 28.738 -0.285 0.000 0.902 245 Q HN 0.398 nan 8.270 nan 0.000 0.425 246 L N -0.156 120.816 121.223 -0.418 0.000 2.156 246 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 246 L C 2.144 178.892 176.870 -0.203 0.000 1.095 246 L CA 0.225 54.873 54.840 -0.320 0.000 0.770 246 L CB -0.261 41.594 42.059 -0.339 0.000 0.914 246 L HN 0.282 nan 8.230 nan 0.000 0.439 247 L N -0.218 120.914 121.223 -0.152 0.000 2.095 247 L HA -0.104 4.236 4.340 -0.000 0.000 0.204 247 L C 2.682 179.513 176.870 -0.065 0.000 1.080 247 L CA 1.498 56.287 54.840 -0.086 0.000 0.759 247 L CB -0.940 41.091 42.059 -0.046 0.000 0.914 247 L HN 0.178 nan 8.230 nan 0.000 0.439 248 R N -0.209 120.252 120.500 -0.064 0.000 2.117 248 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 248 R C 0.662 176.969 176.300 0.012 0.000 1.143 248 R CA 1.819 57.907 56.100 -0.019 0.000 0.968 248 R CB -0.077 30.206 30.300 -0.029 0.000 0.863 248 R HN 0.361 nan 8.270 nan 0.000 0.444 249 D N -0.422 119.921 120.400 -0.095 0.000 2.368 249 D HA 0.103 4.743 4.640 -0.000 0.000 0.218 249 D C 1.084 177.161 176.300 -0.372 0.000 1.112 249 D CA 0.424 54.284 54.000 -0.234 0.000 0.834 249 D CB 0.788 41.449 40.800 -0.231 0.000 0.953 249 D HN 0.305 nan 8.370 nan 0.000 0.505 250 A N 1.394 124.085 122.820 -0.216 0.000 2.076 250 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 250 A C 1.918 179.372 177.584 -0.216 0.000 1.160 250 A CA 1.148 53.047 52.037 -0.231 0.000 0.653 250 A CB -0.981 17.945 19.000 -0.123 0.000 0.801 250 A HN 0.475 nan 8.150 nan 0.000 0.455 251 H N -0.699 118.314 119.070 -0.095 0.000 2.489 251 H HA -0.032 4.524 4.556 -0.000 0.000 0.293 251 H C 1.706 176.987 175.328 -0.078 0.000 1.066 251 H CA 1.280 57.289 56.048 -0.065 0.000 1.305 251 H CB -0.365 29.367 29.762 -0.050 0.000 1.386 251 H HN 0.537 nan 8.280 nan 0.000 0.551 252 R N 1.108 121.263 120.500 -0.574 0.000 2.189 252 R HA 0.052 4.392 4.340 -0.000 0.000 0.218 252 R C 2.076 178.241 176.300 -0.224 0.000 1.074 252 R CA 1.303 57.196 56.100 -0.345 0.000 0.991 252 R CB -0.034 30.027 30.300 -0.399 0.000 0.883 252 R HN 0.522 nan 8.270 nan 0.000 0.457 253 I N -3.413 116.987 120.570 -0.283 0.000 3.891 253 I HA 0.348 4.518 4.170 -0.000 0.000 0.331 253 I C 1.636 177.670 176.117 -0.139 0.000 1.406 253 I CA -0.124 60.996 61.300 -0.301 0.000 1.139 253 I CB 0.378 38.014 38.000 -0.607 0.000 1.056 253 I HN -0.157 nan 8.210 nan 0.000 0.399 254 A N 2.010 124.827 122.820 -0.007 0.000 1.903 254 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 254 A C 1.679 179.392 177.584 0.215 0.000 1.191 254 A CA 2.268 54.400 52.037 0.158 0.000 0.638 254 A CB -0.543 18.524 19.000 0.112 0.000 0.823 254 A HN 0.563 nan 8.150 nan 0.000 0.451 255 D N -0.708 119.774 120.400 0.136 0.000 2.325 255 D HA 0.204 4.844 4.640 -0.000 0.000 0.225 255 D C -0.015 176.378 176.300 0.156 0.000 1.096 255 D CA 0.134 54.212 54.000 0.131 0.000 0.844 255 D CB 0.018 40.867 40.800 0.081 0.000 0.925 255 D HN 0.435 nan 8.370 nan 0.000 0.513 256 I N 3.738 124.438 120.570 0.217 0.000 2.301 256 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 256 I C -2.053 174.292 176.117 0.380 0.000 1.046 256 I CA -1.903 59.528 61.300 0.218 0.000 1.282 256 I CB 1.359 39.426 38.000 0.111 0.000 1.409 256 I HN -0.325 nan 8.210 nan 0.000 0.484 257 P HA 0.276 nan 4.420 nan 0.000 0.272 257 P C -0.174 177.243 177.300 0.195 0.000 1.223 257 P CA 0.142 63.362 63.100 0.199 0.000 0.784 257 P CB 1.436 33.260 31.700 0.206 0.000 0.923 258 G N -0.219 108.666 108.800 0.141 0.000 2.356 258 G HA2 0.453 4.413 3.960 -0.000 0.000 0.294 258 G HA3 0.453 4.413 3.960 -0.000 0.000 0.294 258 G C -1.980 172.937 174.900 0.029 0.000 1.423 258 G CA -0.474 44.712 45.100 0.143 0.000 0.806 258 G HN 0.385 nan 8.290 nan 0.000 0.527 259 V N 0.298 120.271 119.914 0.099 0.000 2.769 259 V HA 0.650 4.770 4.120 -0.000 0.000 0.312 259 V C -0.355 175.725 176.094 -0.022 0.000 1.061 259 V CA -0.694 61.614 62.300 0.013 0.000 0.931 259 V CB 1.940 33.821 31.823 0.097 0.000 1.010 259 V HN 0.649 nan 8.190 nan 0.000 0.433 260 I N 3.687 124.217 120.570 -0.066 0.000 2.437 260 I HA 0.414 4.584 4.170 -0.000 0.000 0.279 260 I C -0.772 175.328 176.117 -0.029 0.000 1.028 260 I CA -0.561 60.727 61.300 -0.020 0.000 1.142 260 I CB 1.754 39.749 38.000 -0.008 0.000 1.266 260 I HN 0.248 nan 8.210 nan 0.000 0.461 261 V N 5.627 125.514 119.914 -0.045 0.000 2.427 261 V HA 0.434 4.554 4.120 -0.000 0.000 0.286 261 V C -0.720 175.368 176.094 -0.009 0.000 1.034 261 V CA -0.477 61.795 62.300 -0.046 0.000 0.893 261 V CB 1.621 33.385 31.823 -0.097 0.000 0.982 261 V HN 0.664 nan 8.190 nan 0.000 0.452 262 H N 2.001 121.022 119.070 -0.081 0.000 3.029 262 H HA 0.576 5.132 4.556 -0.000 0.000 0.358 262 H C 0.055 175.340 175.328 -0.072 0.000 1.129 262 H CA -0.273 55.730 56.048 -0.075 0.000 1.230 262 H CB 1.686 31.419 29.762 -0.049 0.000 1.827 262 H HN 0.854 nan 8.280 nan 0.000 0.530 263 G N 2.829 111.633 108.800 0.007 0.000 2.370 263 G HA2 0.129 4.089 3.960 -0.000 0.000 0.272 263 G HA3 0.129 4.089 3.960 -0.000 0.000 0.272 263 G C 0.729 175.685 174.900 0.092 0.000 1.208 263 G CA -0.473 44.652 45.100 0.041 0.000 0.856 263 G HN 0.819 nan 8.290 nan 0.000 0.500 264 R N 1.663 122.145 120.500 -0.029 0.000 2.103 264 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 264 R C 0.701 176.738 176.300 -0.438 0.000 1.142 264 R CA 1.565 57.505 56.100 -0.266 0.000 0.960 264 R CB -0.287 29.773 30.300 -0.400 0.000 0.858 264 R HN 0.635 nan 8.270 nan 0.000 0.439 265 Y N 0.501 120.815 120.300 0.023 0.000 2.718 265 Y HA 0.164 4.714 4.550 0.000 0.000 0.322 265 Y C -0.307 175.621 175.900 0.047 0.000 1.122 265 Y CA -0.688 57.430 58.100 0.031 0.000 1.348 265 Y CB -0.039 38.431 38.460 0.018 0.000 1.174 265 Y HN 0.020 nan 8.280 nan 0.000 0.523 266 D N 1.357 121.808 120.400 0.085 0.000 2.348 266 D HA 0.005 4.645 4.640 -0.000 0.000 0.259 266 D C 1.127 177.450 176.300 0.039 0.000 1.296 266 D CA 0.240 54.265 54.000 0.042 0.000 0.931 266 D CB 1.001 41.823 40.800 0.036 0.000 1.067 266 D HN 0.272 nan 8.370 nan 0.000 0.503 267 V N 2.142 122.102 119.914 0.076 0.000 3.649 267 V HA 0.035 4.155 4.120 -0.000 0.000 0.275 267 V C 1.466 177.566 176.094 0.010 0.000 1.281 267 V CA 0.125 62.560 62.300 0.224 0.000 1.143 267 V CB 0.135 32.190 31.823 0.387 0.000 0.892 267 V HN 0.328 nan 8.190 nan 0.000 0.441 268 V N -0.681 118.938 119.914 -0.492 0.000 2.685 268 V HA 0.183 4.303 4.120 -0.000 0.000 0.244 268 V C 0.903 176.446 176.094 -0.919 0.000 1.054 268 V CA 1.140 62.682 62.300 -1.263 0.000 1.076 268 V CB 0.294 31.218 31.823 -1.497 0.000 0.725 268 V HN 0.679 nan 8.190 nan 0.000 0.467 269 C N 1.012 119.967 119.300 -0.574 0.000 2.789 269 C HA 0.435 4.895 4.460 -0.000 0.000 0.324 269 C C -2.680 172.252 174.990 -0.097 0.000 1.042 269 C CA -1.327 57.514 59.018 -0.294 0.000 1.396 269 C CB 0.885 28.495 27.740 -0.216 0.000 1.870 269 C HN 0.283 nan 8.230 nan 0.000 0.470 270 P HA -0.009 nan 4.420 nan 0.000 0.266 270 P C 0.971 178.115 177.300 -0.260 0.000 1.193 270 P CA -0.039 62.850 63.100 -0.350 0.000 0.770 270 P CB 0.539 31.792 31.700 -0.746 0.000 0.836 271 L N 2.520 123.537 121.223 -0.343 0.000 2.263 271 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 271 L C 2.099 178.755 176.870 -0.356 0.000 1.111 271 L CA 1.835 56.325 54.840 -0.584 0.000 0.773 271 L CB -1.168 40.658 42.059 -0.388 0.000 0.906 271 L HN 0.383 nan 8.230 nan 0.000 0.439 272 Q N -0.456 119.204 119.800 -0.232 0.000 2.062 272 Q HA -0.245 4.095 4.340 -0.000 0.000 0.209 272 Q C 2.236 178.269 176.000 0.055 0.000 0.996 272 Q CA 2.459 58.226 55.803 -0.061 0.000 0.859 272 Q CB -0.312 28.406 28.738 -0.033 0.000 0.920 272 Q HN 0.665 nan 8.270 nan 0.000 0.415 273 S N 0.321 116.021 115.700 0.001 0.000 2.382 273 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 273 S C 1.922 176.550 174.600 0.048 0.000 1.027 273 S CA 1.017 59.246 58.200 0.048 0.000 0.991 273 S CB -0.241 62.979 63.200 0.033 0.000 0.823 273 S HN 0.532 nan 8.310 nan 0.000 0.469 274 A N 0.938 123.725 122.820 -0.056 0.000 1.930 274 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 274 A C 1.824 179.486 177.584 0.131 0.000 1.175 274 A CA 0.813 52.853 52.037 0.006 0.000 0.627 274 A CB -0.837 18.063 19.000 -0.166 0.000 0.815 274 A HN 0.761 nan 8.150 nan 0.000 0.443 275 W N 1.145 122.395 121.300 -0.083 0.000 2.354 275 W HA -0.190 4.470 4.660 0.000 0.000 0.315 275 W C 1.111 177.657 176.519 0.045 0.000 1.206 275 W CA 1.833 59.176 57.345 -0.003 0.000 1.290 275 W CB -0.148 29.280 29.460 -0.054 0.000 1.152 275 W HN 0.411 nan 8.180 nan 0.000 0.489 276 D N 0.714 121.207 120.400 0.155 0.000 2.117 276 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 276 D C 2.000 178.301 176.300 0.002 0.000 0.987 276 D CA 1.443 55.467 54.000 0.040 0.000 0.829 276 D CB -0.867 39.993 40.800 0.100 0.000 0.961 276 D HN 0.174 nan 8.370 nan 0.000 0.460 277 L N 0.502 121.763 121.223 0.063 0.000 2.017 277 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 277 L C 2.247 179.203 176.870 0.143 0.000 1.073 277 L CA 1.825 56.729 54.840 0.107 0.000 0.745 277 L CB -0.772 41.382 42.059 0.158 0.000 0.894 277 L HN 0.195 nan 8.230 nan 0.000 0.432 278 H N 0.046 119.099 119.070 -0.028 0.000 2.319 278 H HA -0.229 4.327 4.556 -0.000 0.000 0.297 278 H C 2.004 177.222 175.328 -0.184 0.000 1.097 278 H CA 2.182 58.152 56.048 -0.131 0.000 1.285 278 H CB 0.169 29.779 29.762 -0.254 0.000 1.368 278 H HN 0.383 nan 8.280 nan 0.000 0.495 279 K N 0.075 120.173 120.400 -0.504 0.000 2.147 279 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 279 K C 2.235 178.689 176.600 -0.244 0.000 1.049 279 K CA 0.964 56.949 56.287 -0.504 0.000 0.936 279 K CB 0.057 32.305 32.500 -0.420 0.000 0.722 279 K HN 0.309 nan 8.250 nan 0.000 0.446 280 A N -0.219 122.539 122.820 -0.103 0.000 2.081 280 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 280 A C 0.285 177.933 177.584 0.106 0.000 1.158 280 A CA 0.215 52.247 52.037 -0.008 0.000 0.724 280 A CB -0.068 18.934 19.000 0.004 0.000 0.826 280 A HN 0.479 nan 8.150 nan 0.000 0.463 281 W N 0.792 122.023 121.300 -0.115 0.000 2.423 281 W HA 0.528 5.188 4.660 -0.000 0.000 0.286 281 W C -2.871 173.609 176.519 -0.065 0.000 1.001 281 W CA -2.906 54.398 57.345 -0.068 0.000 1.643 281 W CB 1.148 30.583 29.460 -0.041 0.000 1.593 281 W HN 0.021 nan 8.180 nan 0.000 0.403 282 P HA -0.201 nan 4.420 nan 0.000 0.218 282 P C 1.542 178.728 177.300 -0.190 0.000 1.149 282 P CA 1.892 64.892 63.100 -0.165 0.000 0.817 282 P CB 0.257 31.884 31.700 -0.121 0.000 0.785 283 K N -0.167 120.101 120.400 -0.219 0.000 2.360 283 K HA -0.021 4.299 4.320 -0.000 0.000 0.201 283 K C 0.670 177.015 176.600 -0.424 0.000 1.046 283 K CA 0.359 56.510 56.287 -0.228 0.000 0.945 283 K CB -0.334 32.130 32.500 -0.060 0.000 0.750 283 K HN 0.029 nan 8.250 nan 0.000 0.464 284 A N 1.141 123.443 122.820 -0.862 0.000 2.304 284 A HA 0.206 4.525 4.320 -0.000 0.000 0.271 284 A C -0.865 176.466 177.584 -0.422 0.000 1.091 284 A CA -0.469 51.035 52.037 -0.888 0.000 0.812 284 A CB 0.491 18.427 19.000 -1.774 0.000 1.056 284 A HN 0.396 nan 8.150 nan 0.000 0.489 285 Q N 0.456 120.075 119.800 -0.301 0.000 2.331 285 Q HA 0.394 4.734 4.340 -0.000 0.000 0.257 285 Q C -1.003 174.859 176.000 -0.231 0.000 0.957 285 Q CA -0.532 55.145 55.803 -0.210 0.000 0.923 285 Q CB 1.525 30.186 28.738 -0.128 0.000 1.212 285 Q HN 0.575 nan 8.270 nan 0.000 0.443 286 L N 3.034 124.062 121.223 -0.326 0.000 2.319 286 L HA 0.191 4.531 4.340 -0.000 0.000 0.280 286 L C -0.890 175.879 176.870 -0.168 0.000 1.099 286 L CA 0.422 55.083 54.840 -0.298 0.000 0.828 286 L CB 0.992 42.723 42.059 -0.547 0.000 1.150 286 L HN 0.557 nan 8.230 nan 0.000 0.442 287 Q N 5.087 124.831 119.800 -0.094 0.000 2.394 287 Q HA 0.513 4.853 4.340 -0.000 0.000 0.261 287 Q C -1.089 174.897 176.000 -0.024 0.000 1.023 287 Q CA -0.051 55.719 55.803 -0.055 0.000 0.720 287 Q CB 1.397 30.107 28.738 -0.047 0.000 1.241 287 Q HN 0.664 nan 8.270 nan 0.000 0.483 288 I N 1.328 121.887 120.570 -0.018 0.000 2.395 288 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 288 I C 0.015 176.131 176.117 -0.001 0.000 1.023 288 I CA -0.310 60.988 61.300 -0.004 0.000 1.350 288 I CB 1.573 39.558 38.000 -0.025 0.000 1.409 288 I HN 0.425 nan 8.210 nan 0.000 0.507 289 S N 8.091 123.797 115.700 0.011 0.000 2.430 289 S HA 0.194 4.664 4.470 -0.000 0.000 0.289 289 S C -1.613 173.007 174.600 0.033 0.000 1.143 289 S CA -1.086 57.126 58.200 0.020 0.000 1.067 289 S CB 1.295 64.508 63.200 0.020 0.000 0.964 289 S HN 0.445 nan 8.310 nan 0.000 0.485 290 P HA -0.101 nan 4.420 nan 0.000 0.215 290 P C 0.305 177.696 177.300 0.151 0.000 1.157 290 P CA 1.048 64.188 63.100 0.067 0.000 0.874 290 P CB 0.237 31.970 31.700 0.055 0.000 0.790 291 A N -1.910 120.994 122.820 0.139 0.000 2.959 291 A HA 0.508 4.828 4.320 -0.000 0.000 0.280 291 A C 0.050 177.719 177.584 0.143 0.000 0.953 291 A CA -0.045 52.095 52.037 0.171 0.000 1.047 291 A CB 0.135 19.192 19.000 0.095 0.000 1.147 291 A HN -0.022 nan 8.150 nan 0.000 0.489 292 S N -1.165 114.625 115.700 0.150 0.000 2.634 292 S HA 0.823 5.293 4.470 -0.000 0.000 0.296 292 S C 0.712 175.372 174.600 0.099 0.000 1.104 292 S CA -0.124 58.139 58.200 0.106 0.000 0.920 292 S CB 1.803 65.040 63.200 0.060 0.000 1.111 292 S HN 0.732 nan 8.310 nan 0.000 0.493 293 G N -0.099 108.726 108.800 0.042 0.000 2.945 293 G HA2 0.285 4.245 3.960 -0.000 0.000 0.156 293 G HA3 0.285 4.245 3.960 -0.000 0.000 0.156 293 G C 0.523 175.353 174.900 -0.115 0.000 1.375 293 G CA 0.189 45.289 45.100 0.000 0.000 1.039 293 G HN 0.727 nan 8.290 nan 0.000 0.586 294 H N 0.131 119.016 119.070 -0.308 0.000 2.284 294 H HA 0.110 4.666 4.556 -0.000 0.000 0.304 294 H C 1.852 176.915 175.328 -0.443 0.000 1.069 294 H CA 1.192 57.000 56.048 -0.400 0.000 1.327 294 H CB -0.681 28.832 29.762 -0.414 0.000 1.387 294 H HN 0.336 nan 8.280 nan 0.000 0.498 295 S N -0.681 114.590 115.700 -0.715 0.000 2.571 295 S HA 0.040 4.510 4.470 -0.000 0.000 0.298 295 S C 1.482 175.750 174.600 -0.553 0.000 1.280 295 S CA 0.161 57.889 58.200 -0.787 0.000 1.052 295 S CB 0.250 62.629 63.200 -1.368 0.000 0.799 295 S HN 0.609 nan 8.310 nan 0.000 0.501 296 A N 4.337 126.811 122.820 -0.577 0.000 2.167 296 A HA 0.189 4.509 4.320 -0.000 0.000 0.214 296 A C 0.861 178.209 177.584 -0.393 0.000 1.151 296 A CA 0.604 52.315 52.037 -0.543 0.000 0.735 296 A CB -0.383 18.199 19.000 -0.696 0.000 0.802 296 A HN 0.778 nan 8.150 nan 0.000 0.467 297 F N 1.099 121.135 119.950 0.143 0.000 2.713 297 F HA 0.255 4.782 4.527 0.000 0.000 0.294 297 F C 0.469 176.395 175.800 0.210 0.000 1.152 297 F CA -0.662 57.463 58.000 0.209 0.000 1.385 297 F CB 0.044 39.177 39.000 0.222 0.000 0.981 297 F HN 0.068 nan 8.300 nan 0.000 0.514 298 E N 1.089 121.418 120.200 0.215 0.000 2.283 298 E HA 0.142 4.492 4.350 -0.000 0.000 0.278 298 E C -1.638 175.051 176.600 0.148 0.000 1.027 298 E CA -1.709 54.811 56.400 0.201 0.000 0.843 298 E CB 1.234 30.995 29.700 0.102 0.000 1.062 298 E HN 0.025 nan 8.360 nan 0.000 0.401 299 P HA -0.248 nan 4.420 nan 0.000 0.219 299 P C 0.799 178.145 177.300 0.078 0.000 1.161 299 P CA 1.725 64.881 63.100 0.094 0.000 0.909 299 P CB 0.304 32.048 31.700 0.073 0.000 0.793 300 E N -1.471 118.770 120.200 0.068 0.000 2.110 300 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 300 E C 1.782 178.406 176.600 0.040 0.000 0.988 300 E CA 0.836 57.265 56.400 0.049 0.000 0.804 300 E CB -0.532 29.196 29.700 0.045 0.000 0.745 300 E HN 0.291 nan 8.360 nan 0.000 0.458 301 N N 0.400 119.121 118.700 0.035 0.000 2.270 301 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 301 N C 1.905 177.455 175.510 0.068 0.000 1.016 301 N CA 0.589 53.640 53.050 0.002 0.000 0.870 301 N CB -0.049 38.396 38.487 -0.070 0.000 0.979 301 N HN 0.001 nan 8.380 nan 0.000 0.431 302 V N 1.356 121.352 119.914 0.137 0.000 2.307 302 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 302 V C 2.089 178.286 176.094 0.172 0.000 1.045 302 V CA 1.778 64.224 62.300 0.242 0.000 1.024 302 V CB -0.570 31.376 31.823 0.206 0.000 0.651 302 V HN 0.240 nan 8.190 nan 0.000 0.449 303 D N 0.640 121.098 120.400 0.097 0.000 2.108 303 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 303 D C 2.132 178.471 176.300 0.065 0.000 0.995 303 D CA 2.032 56.069 54.000 0.062 0.000 0.834 303 D CB -0.295 40.528 40.800 0.038 0.000 0.967 303 D HN 0.328 nan 8.370 nan 0.000 0.446 304 A N -0.025 122.825 122.820 0.050 0.000 1.892 304 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 304 A C 2.567 180.182 177.584 0.051 0.000 1.188 304 A CA 1.775 53.831 52.037 0.031 0.000 0.631 304 A CB -1.052 17.951 19.000 0.005 0.000 0.822 304 A HN 0.420 nan 8.150 nan 0.000 0.447 305 L N -0.890 120.384 121.223 0.085 0.000 2.027 305 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 305 L C 2.558 179.555 176.870 0.213 0.000 1.074 305 L CA 1.147 56.064 54.840 0.129 0.000 0.745 305 L CB -0.577 41.560 42.059 0.131 0.000 0.898 305 L HN 0.246 nan 8.230 nan 0.000 0.433 306 V N -0.177 119.885 119.914 0.247 0.000 2.332 306 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 306 V C 2.649 178.837 176.094 0.157 0.000 1.055 306 V CA 1.729 64.163 62.300 0.222 0.000 1.038 306 V CB -0.646 31.265 31.823 0.146 0.000 0.651 306 V HN 0.397 nan 8.190 nan 0.000 0.450 307 R N -0.041 120.518 120.500 0.099 0.000 2.073 307 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 307 R C 2.477 178.800 176.300 0.037 0.000 1.134 307 R CA 1.531 57.664 56.100 0.056 0.000 0.952 307 R CB -0.662 29.650 30.300 0.020 0.000 0.850 307 R HN 0.543 nan 8.270 nan 0.000 0.433 308 A N 0.334 123.186 122.820 0.053 0.000 1.865 308 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 308 A C 2.262 179.943 177.584 0.160 0.000 1.191 308 A CA 2.163 54.233 52.037 0.054 0.000 0.623 308 A CB -1.058 18.026 19.000 0.141 0.000 0.826 308 A HN 0.294 nan 8.150 nan 0.000 0.444 309 T N -0.184 114.501 114.554 0.218 0.000 2.684 309 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 309 T C 1.636 176.553 174.700 0.361 0.000 1.036 309 T CA 1.693 63.941 62.100 0.246 0.000 1.148 309 T CB -0.485 68.320 68.868 -0.105 0.000 0.863 309 T HN 0.478 nan 8.240 nan 0.000 0.436 310 D N 0.498 121.050 120.400 0.253 0.000 2.123 310 D HA -0.055 4.585 4.640 -0.000 0.000 0.196 310 D C 2.278 178.652 176.300 0.124 0.000 0.992 310 D CA 1.259 55.395 54.000 0.226 0.000 0.833 310 D CB -0.728 40.180 40.800 0.180 0.000 0.954 310 D HN 0.500 nan 8.370 nan 0.000 0.455 311 G N -0.353 108.439 108.800 -0.014 0.000 2.450 311 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 311 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 311 G C 1.180 175.950 174.900 -0.217 0.000 1.130 311 G CA 0.358 45.334 45.100 -0.206 0.000 0.760 311 G HN 0.217 nan 8.290 nan 0.000 0.557 312 F N 1.194 121.251 119.950 0.179 0.000 2.714 312 F HA 0.543 5.070 4.527 -0.000 0.000 0.294 312 F C 2.038 177.939 175.800 0.168 0.000 1.120 312 F CA -0.721 57.393 58.000 0.191 0.000 1.398 312 F CB -0.285 38.870 39.000 0.258 0.000 1.120 312 F HN 0.182 nan 8.300 nan 0.000 0.589 313 A N 0.000 123.009 122.820 0.315 0.000 2.254 313 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 313 A CA 0.000 52.038 52.037 0.002 0.000 0.836 313 A CB 0.000 19.007 19.000 0.012 0.000 0.831 313 A HN 0.000 nan 8.150 nan 0.000 0.486