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 1qo5_1_D DATA FIRST_RESID 1 DATA SEQUENCE AHRFPALTQE QKKELSEIAQ SIVANGKGIL AADESVGTMG NRLQRIKVEN DATA SEQUENCE TEENRRQFRE ILFSVDSSIN QSIGGVILFH ETLYQKDSQG KLFRNILKEK DATA SEQUENCE GIVVGIKLDQ GGAPLAGTNK ETTIQGLDGL SERCAQYKKD GVDFGKWRAV DATA SEQUENCE LRIADQCPSS LAIQENANAL ARYASICQQN GLVPIVEPEV IPDGDHDLEH DATA SEQUENCE CQYVTEKVLA AVYKALNDHH VYLEGTLLKP NMVTAGHACT KKYTPEQVAM DATA SEQUENCE ATVTALHRTV PAAVPGICFL SGGMSEEDAT LNLNAINLCP LPKPWKLSFS DATA SEQUENCE YGRALQASAL AAWGGKAANK EATQEAFMKR AMANCQAAKG QYVHTGSSGA DATA SEQUENCE ASTQSL 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.524 177.584 -0.099 0.000 1.274 1 A CA 0.000 52.047 52.037 0.016 0.000 0.836 1 A CB 0.000 19.267 19.000 0.445 0.000 0.831 2 H N 1.676 120.770 119.070 0.039 0.000 3.209 2 H HA 0.251 4.809 4.556 0.002 0.000 0.297 2 H C 1.028 176.520 175.328 0.273 0.000 0.936 2 H CA 2.687 58.794 56.048 0.099 0.000 1.392 2 H CB 0.124 29.939 29.762 0.089 0.000 1.349 2 H HN 1.028 nan 8.280 nan 0.000 0.568 3 R N 1.474 122.067 120.500 0.155 0.000 4.105 3 R HA -0.232 4.107 4.340 -0.001 0.000 0.308 3 R C -0.882 175.452 176.300 0.056 0.000 0.241 3 R CA 0.348 56.461 56.100 0.021 0.000 1.034 3 R CB -0.983 29.298 30.300 -0.031 0.000 1.102 3 R HN 0.635 nan 8.270 nan 0.000 0.510 4 F N -0.192 119.704 119.950 -0.090 0.000 2.346 4 F HA -0.159 4.366 4.527 -0.003 0.000 0.178 4 F C -1.577 174.135 175.800 -0.147 0.000 1.026 4 F CA 0.670 58.610 58.000 -0.101 0.000 0.831 4 F CB -1.296 37.648 39.000 -0.093 0.000 0.804 4 F HN 0.320 nan 8.300 nan 0.000 0.815 5 P HA 0.259 nan 4.420 nan 0.000 0.271 5 P C 0.546 177.823 177.300 -0.037 0.000 1.220 5 P CA 0.367 63.432 63.100 -0.059 0.000 0.768 5 P CB 1.551 33.209 31.700 -0.069 0.000 0.848 6 A N 4.429 127.222 122.820 -0.044 0.000 1.969 6 A HA 0.016 4.335 4.320 -0.001 0.000 0.218 6 A C 1.091 178.660 177.584 -0.026 0.000 1.169 6 A CA 1.063 53.095 52.037 -0.008 0.000 0.635 6 A CB -0.400 18.623 19.000 0.038 0.000 0.810 6 A HN 0.572 nan 8.150 nan 0.000 0.445 7 L N -0.926 120.259 121.223 -0.064 0.000 2.354 7 L HA 0.404 4.744 4.340 -0.001 0.000 0.264 7 L C 0.446 177.247 176.870 -0.115 0.000 1.008 7 L CA -0.799 53.981 54.840 -0.101 0.000 0.819 7 L CB 2.287 44.237 42.059 -0.182 0.000 1.339 7 L HN 0.258 nan 8.230 nan 0.000 0.420 8 T N -2.772 111.720 114.554 -0.103 0.000 2.788 8 T HA 0.152 4.501 4.350 -0.001 0.000 0.280 8 T C 0.686 175.309 174.700 -0.127 0.000 0.984 8 T CA -0.572 61.471 62.100 -0.094 0.000 0.972 8 T CB 1.144 69.974 68.868 -0.064 0.000 1.039 8 T HN 0.473 nan 8.240 nan 0.000 0.530 9 Q N 0.028 119.769 119.800 -0.098 0.000 2.119 9 Q HA -0.081 4.258 4.340 -0.001 0.000 0.201 9 Q C 2.185 178.133 176.000 -0.086 0.000 0.972 9 Q CA 1.622 57.367 55.803 -0.097 0.000 0.847 9 Q CB -0.462 28.242 28.738 -0.058 0.000 0.903 9 Q HN 0.963 nan 8.270 nan 0.000 0.433 10 E N 0.669 120.831 120.200 -0.064 0.000 2.077 10 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 10 E C 1.852 178.420 176.600 -0.053 0.000 0.989 10 E CA 1.050 57.423 56.400 -0.045 0.000 0.800 10 E CB 0.167 29.847 29.700 -0.034 0.000 0.746 10 E HN 0.403 nan 8.360 nan 0.000 0.452 11 Q N 0.256 120.010 119.800 -0.077 0.000 2.084 11 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 11 Q C 2.201 178.142 176.000 -0.098 0.000 0.978 11 Q CA 1.524 57.282 55.803 -0.075 0.000 0.844 11 Q CB -0.019 28.671 28.738 -0.080 0.000 0.898 11 Q HN 0.154 nan 8.270 nan 0.000 0.426 12 K N 1.011 121.281 120.400 -0.217 0.000 1.991 12 K HA -0.199 4.120 4.320 -0.001 0.000 0.212 12 K C 2.094 178.692 176.600 -0.003 0.000 1.049 12 K CA 1.431 57.529 56.287 -0.315 0.000 0.932 12 K CB -0.155 32.007 32.500 -0.563 0.000 0.717 12 K HN 0.034 nan 8.250 nan 0.000 0.441 13 K N 1.467 121.860 120.400 -0.012 0.000 2.089 13 K HA -0.289 4.030 4.320 -0.001 0.000 0.210 13 K C 2.108 178.733 176.600 0.043 0.000 1.048 13 K CA 2.041 58.347 56.287 0.032 0.000 0.926 13 K CB -0.047 32.458 32.500 0.009 0.000 0.714 13 K HN 0.221 nan 8.250 nan 0.000 0.448 14 E N 0.522 120.739 120.200 0.028 0.000 2.028 14 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 14 E C 2.086 178.722 176.600 0.059 0.000 0.988 14 E CA 1.271 57.692 56.400 0.035 0.000 0.799 14 E CB -0.108 29.606 29.700 0.023 0.000 0.755 14 E HN 0.400 nan 8.360 nan 0.000 0.447 15 L N 0.766 122.039 121.223 0.083 0.000 2.275 15 L HA -0.083 4.257 4.340 -0.001 0.000 0.215 15 L C 2.689 179.632 176.870 0.123 0.000 1.119 15 L CA 0.973 55.882 54.840 0.114 0.000 0.790 15 L CB -0.246 41.911 42.059 0.164 0.000 0.919 15 L HN 0.140 nan 8.230 nan 0.000 0.443 16 S N -0.304 115.489 115.700 0.156 0.000 2.425 16 S HA -0.114 4.356 4.470 -0.001 0.000 0.225 16 S C 1.845 176.474 174.600 0.049 0.000 1.024 16 S CA 0.765 59.031 58.200 0.109 0.000 0.951 16 S CB 0.070 63.375 63.200 0.175 0.000 0.796 16 S HN 0.427 nan 8.310 nan 0.000 0.498 17 E N 0.660 120.890 120.200 0.050 0.000 2.077 17 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 17 E C 1.871 178.479 176.600 0.013 0.000 0.989 17 E CA 1.540 57.956 56.400 0.025 0.000 0.800 17 E CB -0.181 29.533 29.700 0.023 0.000 0.746 17 E HN 0.590 nan 8.360 nan 0.000 0.452 18 I N 0.699 121.283 120.570 0.024 0.000 2.163 18 I HA -0.268 3.902 4.170 -0.001 0.000 0.240 18 I C 2.493 178.593 176.117 -0.029 0.000 1.081 18 I CA 0.997 62.306 61.300 0.014 0.000 1.353 18 I CB -0.366 37.664 38.000 0.050 0.000 1.054 18 I HN 0.102 nan 8.210 nan 0.000 0.407 19 A N 0.203 123.008 122.820 -0.026 0.000 1.892 19 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 19 A C 2.249 179.782 177.584 -0.085 0.000 1.188 19 A CA 1.757 53.748 52.037 -0.075 0.000 0.631 19 A CB -0.701 18.267 19.000 -0.053 0.000 0.822 19 A HN 0.517 nan 8.150 nan 0.000 0.447 20 Q N -0.115 119.654 119.800 -0.051 0.000 2.435 20 Q HA -0.075 4.265 4.340 -0.001 0.000 0.207 20 Q C 2.231 178.195 176.000 -0.060 0.000 0.956 20 Q CA 1.151 56.923 55.803 -0.052 0.000 0.917 20 Q CB -0.122 28.600 28.738 -0.026 0.000 0.997 20 Q HN 0.880 nan 8.270 nan 0.000 0.497 21 S N -0.040 115.624 115.700 -0.061 0.000 2.436 21 S HA -0.014 4.455 4.470 -0.001 0.000 0.228 21 S C 1.766 176.313 174.600 -0.088 0.000 1.014 21 S CA 0.438 58.605 58.200 -0.056 0.000 0.950 21 S CB -0.137 63.041 63.200 -0.036 0.000 0.784 21 S HN 0.296 nan 8.310 nan 0.000 0.504 22 I N 1.805 122.292 120.570 -0.137 0.000 3.059 22 I HA 0.047 4.216 4.170 -0.001 0.000 0.270 22 I C 1.094 177.091 176.117 -0.200 0.000 1.238 22 I CA 0.547 61.728 61.300 -0.197 0.000 1.478 22 I CB 0.407 38.212 38.000 -0.326 0.000 1.097 22 I HN 0.352 nan 8.210 nan 0.000 0.455 23 V N -2.890 116.925 119.914 -0.164 0.000 2.988 23 V HA 0.499 4.618 4.120 -0.001 0.000 0.356 23 V C 1.525 177.565 176.094 -0.091 0.000 1.380 23 V CA 0.119 62.324 62.300 -0.159 0.000 1.184 23 V CB -0.225 31.505 31.823 -0.155 0.000 1.204 23 V HN 0.106 nan 8.190 nan 0.000 0.530 24 A N 1.936 124.710 122.820 -0.075 0.000 1.873 24 A HA 0.015 4.334 4.320 -0.001 0.000 0.215 24 A C 1.090 178.659 177.584 -0.025 0.000 1.186 24 A CA 1.936 53.947 52.037 -0.043 0.000 0.616 24 A CB -0.471 18.509 19.000 -0.033 0.000 0.823 24 A HN 0.737 nan 8.150 nan 0.000 0.442 25 N N -2.231 116.456 118.700 -0.022 0.000 2.752 25 N HA 0.447 5.187 4.740 -0.001 0.000 0.260 25 N C 0.269 175.788 175.510 0.014 0.000 1.562 25 N CA 0.362 53.412 53.050 0.000 0.000 0.788 25 N CB 1.355 39.843 38.487 0.003 0.000 1.192 25 N HN 0.492 nan 8.380 nan 0.000 0.503 26 G N 0.641 109.451 108.800 0.016 0.000 2.184 26 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.264 26 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.264 26 G C 0.056 174.984 174.900 0.047 0.000 0.975 26 G CA 0.243 45.372 45.100 0.049 0.000 0.642 26 G HN 0.413 nan 8.290 nan 0.000 0.536 27 K N 0.404 120.791 120.400 -0.021 0.000 2.168 27 K HA 0.576 4.896 4.320 -0.001 0.000 0.258 27 K C 0.987 177.416 176.600 -0.286 0.000 1.010 27 K CA 0.102 56.350 56.287 -0.065 0.000 0.929 27 K CB 1.030 33.490 32.500 -0.065 0.000 0.998 27 K HN 0.377 nan 8.250 nan 0.000 0.479 28 G N 0.685 109.147 108.800 -0.563 0.000 3.251 28 G HA2 0.632 4.592 3.960 -0.001 0.000 0.248 28 G HA3 0.632 4.592 3.960 -0.001 0.000 0.248 28 G C -1.075 173.394 174.900 -0.718 0.000 1.320 28 G CA -0.865 43.463 45.100 -1.287 0.000 0.982 28 G HN 0.457 nan 8.290 nan 0.000 0.575 29 I N 0.432 120.552 120.570 -0.750 0.000 2.474 29 I HA 0.348 4.518 4.170 -0.001 0.000 0.294 29 I C -1.034 175.108 176.117 0.041 0.000 1.005 29 I CA -0.712 60.445 61.300 -0.238 0.000 1.113 29 I CB 2.116 39.974 38.000 -0.237 0.000 1.289 29 I HN 0.318 nan 8.210 nan 0.000 0.436 30 L N 7.122 128.437 121.223 0.154 0.000 2.272 30 L HA 0.688 5.027 4.340 -0.001 0.000 0.289 30 L C -0.159 176.827 176.870 0.193 0.000 1.032 30 L CA 0.032 55.029 54.840 0.262 0.000 0.810 30 L CB 1.298 43.533 42.059 0.295 0.000 1.205 30 L HN 0.628 nan 8.230 nan 0.000 0.422 31 A N 4.682 127.626 122.820 0.206 0.000 2.621 31 A HA 0.705 5.025 4.320 -0.001 0.000 0.329 31 A C 0.628 178.290 177.584 0.129 0.000 1.458 31 A CA 0.096 52.230 52.037 0.161 0.000 1.052 31 A CB 0.091 19.193 19.000 0.169 0.000 1.142 31 A HN 1.127 nan 8.150 nan 0.000 0.523 32 A N 2.423 125.313 122.820 0.117 0.000 2.535 32 A HA 0.272 4.592 4.320 -0.001 0.000 0.273 32 A C 0.723 178.370 177.584 0.106 0.000 1.267 32 A CA 0.364 52.468 52.037 0.110 0.000 0.940 32 A CB -0.055 19.052 19.000 0.177 0.000 1.101 32 A HN 0.717 nan 8.150 nan 0.000 0.521 33 D N 0.253 120.707 120.400 0.090 0.000 2.413 33 D HA 0.043 4.682 4.640 -0.001 0.000 0.237 33 D C -0.521 175.785 176.300 0.010 0.000 1.171 33 D CA -0.124 53.938 54.000 0.103 0.000 0.839 33 D CB -0.282 40.579 40.800 0.102 0.000 0.950 33 D HN 0.375 nan 8.370 nan 0.000 0.499 34 E N 1.002 121.176 120.200 -0.043 0.000 2.465 34 E HA 0.104 4.453 4.350 -0.001 0.000 0.260 34 E C 0.763 177.098 176.600 -0.441 0.000 0.980 34 E CA -0.100 56.200 56.400 -0.167 0.000 0.927 34 E CB 0.616 30.251 29.700 -0.109 0.000 0.934 34 E HN 0.306 nan 8.360 nan 0.000 0.459 35 S N 1.711 117.043 115.700 -0.613 0.000 2.626 35 S HA 0.065 4.534 4.470 -0.001 0.000 0.257 35 S C 1.297 175.521 174.600 -0.627 0.000 1.288 35 S CA -0.669 56.836 58.200 -1.158 0.000 0.980 35 S CB 0.807 63.646 63.200 -0.601 0.000 0.975 35 S HN 0.302 nan 8.310 nan 0.000 0.577 36 V N 1.789 121.428 119.914 -0.458 0.000 2.282 36 V HA -0.113 4.006 4.120 -0.001 0.000 0.249 36 V C 2.743 178.773 176.094 -0.107 0.000 1.057 36 V CA 2.475 64.692 62.300 -0.138 0.000 1.032 36 V CB -1.851 29.979 31.823 0.011 0.000 0.645 36 V HN 1.038 nan 8.190 nan 0.000 0.447 37 G N -0.982 107.746 108.800 -0.119 0.000 2.394 37 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.215 37 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.215 37 G C 1.693 176.537 174.900 -0.093 0.000 1.165 37 G CA 1.321 46.370 45.100 -0.084 0.000 0.784 37 G HN 0.471 nan 8.290 nan 0.000 0.535 38 T N 0.980 115.455 114.554 -0.132 0.000 2.777 38 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 38 T C 2.301 176.943 174.700 -0.097 0.000 1.040 38 T CA 1.462 63.495 62.100 -0.112 0.000 1.141 38 T CB -0.169 68.623 68.868 -0.127 0.000 0.868 38 T HN 0.185 nan 8.240 nan 0.000 0.444 39 M N 1.661 121.191 119.600 -0.116 0.000 2.229 39 M HA 0.142 4.622 4.480 -0.001 0.000 0.264 39 M C 2.238 178.505 176.300 -0.054 0.000 1.063 39 M CA 1.220 56.473 55.300 -0.078 0.000 1.114 39 M CB -0.965 31.591 32.600 -0.074 0.000 1.387 39 M HN 0.235 nan 8.290 nan 0.000 0.420 40 G N 0.171 108.942 108.800 -0.048 0.000 2.440 40 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.218 40 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.218 40 G C 1.419 176.296 174.900 -0.040 0.000 1.154 40 G CA 1.180 46.261 45.100 -0.033 0.000 0.767 40 G HN 0.499 nan 8.290 nan 0.000 0.552 41 N N 0.624 119.295 118.700 -0.049 0.000 2.094 41 N HA -0.098 4.642 4.740 -0.001 0.000 0.191 41 N C 2.340 177.820 175.510 -0.050 0.000 1.023 41 N CA 0.924 53.945 53.050 -0.048 0.000 0.857 41 N CB -0.280 38.176 38.487 -0.051 0.000 1.013 41 N HN 0.181 nan 8.380 nan 0.000 0.426 42 R N 0.890 121.355 120.500 -0.058 0.000 2.070 42 R HA 0.041 4.380 4.340 -0.001 0.000 0.233 42 R C 2.417 178.671 176.300 -0.076 0.000 1.137 42 R CA 0.616 56.673 56.100 -0.071 0.000 0.945 42 R CB -1.197 29.051 30.300 -0.087 0.000 0.845 42 R HN 0.318 nan 8.270 nan 0.000 0.430 43 L N 1.100 122.285 121.223 -0.063 0.000 2.131 43 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 43 L C 2.644 179.488 176.870 -0.044 0.000 1.092 43 L CA 0.983 55.798 54.840 -0.040 0.000 0.759 43 L CB -0.421 41.639 42.059 0.002 0.000 0.903 43 L HN 0.133 nan 8.230 nan 0.000 0.435 44 Q N 0.941 120.716 119.800 -0.042 0.000 2.061 44 Q HA -0.226 4.113 4.340 -0.001 0.000 0.204 44 Q C 2.210 178.183 176.000 -0.045 0.000 0.984 44 Q CA 1.776 57.555 55.803 -0.041 0.000 0.846 44 Q CB -0.193 28.523 28.738 -0.037 0.000 0.902 44 Q HN 0.280 nan 8.270 nan 0.000 0.421 45 R N -0.094 120.378 120.500 -0.047 0.000 2.139 45 R HA -0.113 4.227 4.340 -0.001 0.000 0.243 45 R C 1.775 178.047 176.300 -0.048 0.000 1.145 45 R CA 1.593 57.667 56.100 -0.043 0.000 0.976 45 R CB -0.510 29.764 30.300 -0.043 0.000 0.866 45 R HN 0.531 nan 8.270 nan 0.000 0.449 46 I N -1.817 118.717 120.570 -0.059 0.000 3.884 46 I HA 0.208 4.378 4.170 -0.001 0.000 0.330 46 I C -0.757 175.308 176.117 -0.087 0.000 1.451 46 I CA -0.423 60.835 61.300 -0.069 0.000 1.165 46 I CB 0.025 37.981 38.000 -0.072 0.000 1.097 46 I HN -0.115 nan 8.210 nan 0.000 0.404 47 K N 1.047 121.405 120.400 -0.069 0.000 3.490 47 K HA -0.115 4.205 4.320 -0.001 0.000 0.273 47 K C -0.804 175.741 176.600 -0.092 0.000 0.916 47 K CA 0.251 56.496 56.287 -0.070 0.000 0.718 47 K CB -1.260 31.200 32.500 -0.066 0.000 1.477 47 K HN 0.392 nan 8.250 nan 0.000 0.452 48 V N 0.832 120.694 119.914 -0.088 0.000 2.588 48 V HA 0.157 4.277 4.120 -0.001 0.000 0.304 48 V C 0.326 176.395 176.094 -0.041 0.000 1.042 48 V CA -0.862 61.380 62.300 -0.097 0.000 0.877 48 V CB 1.764 33.508 31.823 -0.133 0.000 0.996 48 V HN 0.376 nan 8.190 nan 0.000 0.425 49 E N 4.114 124.294 120.200 -0.033 0.000 2.376 49 E HA 0.010 4.360 4.350 -0.001 0.000 0.266 49 E C 0.328 176.938 176.600 0.018 0.000 1.009 49 E CA -0.170 56.224 56.400 -0.010 0.000 0.902 49 E CB 0.449 30.142 29.700 -0.011 0.000 0.972 49 E HN 0.753 nan 8.360 nan 0.000 0.439 50 N N 4.007 122.716 118.700 0.015 0.000 2.543 50 N HA -0.023 4.716 4.740 -0.001 0.000 0.289 50 N C -0.974 174.560 175.510 0.040 0.000 1.223 50 N CA 0.023 53.089 53.050 0.028 0.000 1.080 50 N CB 0.310 38.803 38.487 0.010 0.000 1.450 50 N HN 0.297 nan 8.380 nan 0.000 0.501 51 T N 0.982 115.572 114.554 0.060 0.000 2.925 51 T HA 0.047 4.397 4.350 -0.001 0.000 0.285 51 T C 1.185 175.937 174.700 0.085 0.000 1.021 51 T CA -0.594 61.546 62.100 0.066 0.000 1.042 51 T CB 1.917 70.824 68.868 0.066 0.000 1.037 51 T HN 0.485 nan 8.240 nan 0.000 0.481 52 E N 1.235 121.485 120.200 0.084 0.000 2.033 52 E HA -0.229 4.120 4.350 -0.001 0.000 0.199 52 E C 1.666 178.330 176.600 0.107 0.000 1.011 52 E CA 1.689 58.149 56.400 0.100 0.000 0.815 52 E CB 0.014 29.770 29.700 0.094 0.000 0.755 52 E HN 0.618 nan 8.360 nan 0.000 0.451 53 E N 0.754 121.011 120.200 0.096 0.000 2.130 53 E HA -0.225 4.125 4.350 -0.001 0.000 0.196 53 E C 1.702 178.393 176.600 0.151 0.000 0.998 53 E CA 1.702 58.166 56.400 0.107 0.000 0.806 53 E CB -0.233 29.521 29.700 0.089 0.000 0.738 53 E HN 0.262 nan 8.360 nan 0.000 0.459 54 N N 0.131 118.936 118.700 0.175 0.000 2.080 54 N HA -0.089 4.650 4.740 -0.001 0.000 0.189 54 N C 1.771 177.430 175.510 0.247 0.000 1.036 54 N CA 1.129 54.357 53.050 0.296 0.000 0.846 54 N CB -0.332 38.316 38.487 0.268 0.000 1.015 54 N HN 0.166 nan 8.380 nan 0.000 0.423 55 R N 0.754 121.350 120.500 0.160 0.000 2.119 55 R HA -0.141 4.199 4.340 -0.001 0.000 0.246 55 R C 2.224 178.574 176.300 0.083 0.000 1.146 55 R CA 1.219 57.384 56.100 0.109 0.000 0.962 55 R CB -0.243 30.124 30.300 0.112 0.000 0.863 55 R HN 0.289 nan 8.270 nan 0.000 0.442 56 R N 0.842 121.417 120.500 0.124 0.000 2.090 56 R HA -0.110 4.230 4.340 -0.001 0.000 0.228 56 R C 2.106 178.468 176.300 0.104 0.000 1.110 56 R CA 1.298 57.502 56.100 0.174 0.000 0.973 56 R CB 0.054 30.450 30.300 0.160 0.000 0.869 56 R HN 0.320 nan 8.270 nan 0.000 0.440 57 Q N -0.690 119.159 119.800 0.083 0.000 2.079 57 Q HA -0.165 4.174 4.340 -0.001 0.000 0.200 57 Q C 1.797 177.635 176.000 -0.271 0.000 0.974 57 Q CA 1.609 57.431 55.803 0.032 0.000 0.840 57 Q CB -0.116 28.766 28.738 0.240 0.000 0.898 57 Q HN 0.262 nan 8.270 nan 0.000 0.430 58 F N 1.377 120.916 119.950 -0.686 0.000 2.113 58 F HA -0.137 4.389 4.527 -0.001 0.000 0.297 58 F C 1.988 177.312 175.800 -0.793 0.000 1.103 58 F CA 1.414 58.763 58.000 -1.086 0.000 1.248 58 F CB 0.002 38.312 39.000 -1.149 0.000 0.999 58 F HN -0.124 nan 8.300 nan 0.000 0.475 59 R N 0.143 120.169 120.500 -0.791 0.000 2.105 59 R HA -0.205 4.134 4.340 -0.001 0.000 0.239 59 R C 2.284 177.625 176.300 -1.599 0.000 1.135 59 R CA 1.670 56.971 56.100 -1.333 0.000 0.967 59 R CB -0.728 28.924 30.300 -1.079 0.000 0.861 59 R HN 0.499 nan 8.270 nan 0.000 0.442 60 E N 1.368 121.032 120.200 -0.893 0.000 2.106 60 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 60 E C 1.935 178.278 176.600 -0.429 0.000 0.984 60 E CA 0.898 56.989 56.400 -0.515 0.000 0.806 60 E CB -0.015 29.739 29.700 0.089 0.000 0.750 60 E HN 0.312 nan 8.360 nan 0.000 0.458 61 I N 1.208 121.484 120.570 -0.491 0.000 2.163 61 I HA -0.322 3.848 4.170 -0.001 0.000 0.243 61 I C 2.503 178.362 176.117 -0.429 0.000 1.085 61 I CA 1.072 62.132 61.300 -0.401 0.000 1.347 61 I CB -0.246 37.469 38.000 -0.473 0.000 1.044 61 I HN 0.219 nan 8.210 nan 0.000 0.408 62 L N -0.200 120.584 121.223 -0.732 0.000 2.017 62 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 62 L C 2.462 179.228 176.870 -0.174 0.000 1.073 62 L CA 1.650 56.092 54.840 -0.663 0.000 0.745 62 L CB -0.734 40.670 42.059 -1.092 0.000 0.894 62 L HN 0.222 nan 8.230 nan 0.000 0.432 63 F N -0.194 119.523 119.950 -0.388 0.000 2.604 63 F HA -0.086 4.441 4.527 -0.001 0.000 0.298 63 F C 2.407 178.145 175.800 -0.104 0.000 1.131 63 F CA 0.343 58.197 58.000 -0.244 0.000 1.457 63 F CB -0.251 38.517 39.000 -0.385 0.000 1.095 63 F HN 0.197 nan 8.300 nan 0.000 0.574 64 S N -0.760 114.979 115.700 0.066 0.000 2.577 64 S HA 0.130 4.599 4.470 -0.001 0.000 0.219 64 S C 0.413 175.050 174.600 0.061 0.000 0.962 64 S CA -0.342 57.897 58.200 0.065 0.000 0.921 64 S CB -0.657 62.563 63.200 0.033 0.000 0.789 64 S HN 0.026 nan 8.310 nan 0.000 0.497 65 V N 2.803 122.769 119.914 0.087 0.000 2.999 65 V HA 0.092 4.211 4.120 -0.001 0.000 0.307 65 V C 0.481 176.613 176.094 0.064 0.000 1.084 65 V CA -0.100 62.254 62.300 0.091 0.000 1.155 65 V CB 0.603 32.537 31.823 0.184 0.000 0.975 65 V HN 0.572 nan 8.190 nan 0.000 0.490 66 D N 2.943 123.366 120.400 0.039 0.000 2.583 66 D HA -0.063 4.577 4.640 -0.001 0.000 0.232 66 D C 1.454 177.765 176.300 0.019 0.000 1.128 66 D CA 1.129 55.143 54.000 0.024 0.000 0.859 66 D CB 0.973 41.780 40.800 0.011 0.000 1.169 66 D HN 0.715 nan 8.370 nan 0.000 0.481 67 S N 2.066 117.778 115.700 0.020 0.000 2.407 67 S HA -0.291 4.178 4.470 -0.001 0.000 0.235 67 S C 2.099 176.702 174.600 0.004 0.000 1.036 67 S CA 1.336 59.545 58.200 0.015 0.000 1.013 67 S CB -0.564 62.644 63.200 0.014 0.000 0.820 67 S HN 0.442 nan 8.310 nan 0.000 0.476 68 S N 1.464 117.164 115.700 -0.001 0.000 2.421 68 S HA -0.199 4.271 4.470 -0.001 0.000 0.239 68 S C 1.540 176.127 174.600 -0.021 0.000 1.054 68 S CA 1.456 59.650 58.200 -0.010 0.000 1.035 68 S CB -0.776 62.414 63.200 -0.017 0.000 0.840 68 S HN 0.624 nan 8.310 nan 0.000 0.475 69 I N 2.323 122.876 120.570 -0.029 0.000 2.315 69 I HA -0.234 3.936 4.170 -0.001 0.000 0.251 69 I C 1.619 177.724 176.117 -0.021 0.000 1.125 69 I CA 1.606 62.874 61.300 -0.053 0.000 1.392 69 I CB -0.624 37.351 38.000 -0.042 0.000 1.065 69 I HN 0.362 nan 8.210 nan 0.000 0.424 70 N N -0.206 118.492 118.700 -0.004 0.000 2.396 70 N HA -0.280 4.460 4.740 -0.001 0.000 0.191 70 N C 1.357 176.865 175.510 -0.003 0.000 1.015 70 N CA 1.248 54.297 53.050 -0.002 0.000 0.893 70 N CB -0.074 38.411 38.487 -0.003 0.000 0.956 70 N HN 0.630 nan 8.380 nan 0.000 0.445 71 Q N -1.523 118.274 119.800 -0.005 0.000 2.384 71 Q HA 0.170 4.510 4.340 -0.001 0.000 0.207 71 Q C 1.143 177.152 176.000 0.015 0.000 0.904 71 Q CA 0.299 56.103 55.803 0.001 0.000 0.933 71 Q CB 0.828 29.565 28.738 -0.002 0.000 1.077 71 Q HN 0.249 nan 8.270 nan 0.000 0.522 72 S N -0.101 115.611 115.700 0.020 0.000 2.566 72 S HA 0.167 4.637 4.470 -0.001 0.000 0.234 72 S C 0.563 175.233 174.600 0.116 0.000 1.075 72 S CA -0.026 58.221 58.200 0.080 0.000 0.926 72 S CB 0.728 63.956 63.200 0.047 0.000 0.811 72 S HN 0.113 nan 8.310 nan 0.000 0.518 73 I N 2.939 123.547 120.570 0.063 0.000 2.297 73 I HA 0.313 4.482 4.170 -0.001 0.000 0.291 73 I C 1.436 177.544 176.117 -0.014 0.000 1.033 73 I CA -0.230 61.098 61.300 0.047 0.000 1.253 73 I CB 0.383 38.438 38.000 0.091 0.000 1.396 73 I HN 0.261 nan 8.210 nan 0.000 0.476 74 G N 4.896 113.645 108.800 -0.086 0.000 2.492 74 G HA2 0.333 4.292 3.960 -0.001 0.000 0.214 74 G HA3 0.333 4.292 3.960 -0.001 0.000 0.214 74 G C 0.617 175.476 174.900 -0.068 0.000 1.147 74 G CA 0.502 45.541 45.100 -0.102 0.000 0.809 74 G HN 0.744 nan 8.290 nan 0.000 0.533 75 G N -1.715 107.063 108.800 -0.037 0.000 2.646 75 G HA2 0.474 4.434 3.960 -0.001 0.000 0.291 75 G HA3 0.474 4.434 3.960 -0.001 0.000 0.291 75 G C -2.190 172.787 174.900 0.128 0.000 1.445 75 G CA -0.376 44.790 45.100 0.110 0.000 0.814 75 G HN 0.407 nan 8.290 nan 0.000 0.495 76 V N 1.337 121.358 119.914 0.178 0.000 2.525 76 V HA 0.439 4.559 4.120 -0.001 0.000 0.299 76 V C -0.183 175.931 176.094 0.034 0.000 1.034 76 V CA -0.595 61.739 62.300 0.057 0.000 0.863 76 V CB 1.511 33.231 31.823 -0.171 0.000 0.999 76 V HN 0.664 nan 8.190 nan 0.000 0.423 77 I N 5.745 126.361 120.570 0.077 0.000 2.342 77 I HA 0.457 4.627 4.170 -0.001 0.000 0.291 77 I C -0.422 175.671 176.117 -0.041 0.000 1.010 77 I CA -0.300 60.974 61.300 -0.044 0.000 1.308 77 I CB 1.090 39.142 38.000 0.087 0.000 1.400 77 I HN 0.338 nan 8.210 nan 0.000 0.488 78 L N 5.553 126.711 121.223 -0.107 0.000 2.334 78 L HA 0.485 4.825 4.340 -0.001 0.000 0.272 78 L C -0.242 176.655 176.870 0.044 0.000 1.020 78 L CA -0.747 54.082 54.840 -0.018 0.000 0.812 78 L CB 1.859 43.859 42.059 -0.099 0.000 1.264 78 L HN 0.424 nan 8.230 nan 0.000 0.439 79 F N 0.911 120.846 119.950 -0.025 0.000 2.380 79 F HA 0.171 4.698 4.527 -0.001 0.000 0.325 79 F C 1.740 177.566 175.800 0.043 0.000 1.136 79 F CA 0.047 58.054 58.000 0.012 0.000 1.171 79 F CB 0.459 39.485 39.000 0.043 0.000 1.230 79 F HN 0.486 nan 8.300 nan 0.000 0.554 80 H N 2.629 121.207 119.070 -0.819 0.000 2.265 80 H HA -0.243 4.312 4.556 -0.001 0.000 0.293 80 H C 1.984 177.144 175.328 -0.279 0.000 1.089 80 H CA 2.654 58.413 56.048 -0.481 0.000 1.244 80 H CB -0.185 29.350 29.762 -0.378 0.000 1.355 80 H HN 0.878 nan 8.280 nan 0.000 0.485 81 E N -0.172 119.757 120.200 -0.450 0.000 2.068 81 E HA -0.211 4.138 4.350 -0.001 0.000 0.207 81 E C 2.073 178.676 176.600 0.005 0.000 1.032 81 E CA 2.427 58.778 56.400 -0.082 0.000 0.839 81 E CB -0.407 29.356 29.700 0.104 0.000 0.758 81 E HN 0.409 nan 8.360 nan 0.000 0.457 82 T N 1.422 116.038 114.554 0.103 0.000 2.759 82 T HA -0.166 4.183 4.350 -0.001 0.000 0.269 82 T C 1.780 176.533 174.700 0.089 0.000 1.042 82 T CA 1.222 63.451 62.100 0.216 0.000 1.140 82 T CB -0.372 68.673 68.868 0.295 0.000 0.864 82 T HN 0.172 nan 8.240 nan 0.000 0.455 83 L N 0.321 121.443 121.223 -0.168 0.000 2.129 83 L HA -0.097 4.243 4.340 -0.001 0.000 0.212 83 L C 1.440 177.922 176.870 -0.646 0.000 1.087 83 L CA 1.717 56.290 54.840 -0.445 0.000 0.757 83 L CB -0.620 41.014 42.059 -0.709 0.000 0.896 83 L HN 0.375 nan 8.230 nan 0.000 0.434 84 Y N -1.337 118.877 120.300 -0.142 0.000 2.458 84 Y HA 0.236 4.786 4.550 -0.001 0.000 0.256 84 Y C 1.235 177.066 175.900 -0.115 0.000 1.159 84 Y CA -0.550 57.477 58.100 -0.123 0.000 1.261 84 Y CB -0.028 38.336 38.460 -0.160 0.000 1.119 84 Y HN 0.275 nan 8.280 nan 0.000 0.524 85 Q N 0.603 120.364 119.800 -0.064 0.000 2.308 85 Q HA 0.390 4.730 4.340 -0.001 0.000 0.207 85 Q C -0.443 175.193 176.000 -0.606 0.000 1.035 85 Q CA -0.284 55.372 55.803 -0.245 0.000 1.008 85 Q CB 1.113 29.721 28.738 -0.217 0.000 1.168 85 Q HN 0.128 nan 8.270 nan 0.000 0.565 86 K N -0.125 119.780 120.400 -0.825 0.000 2.509 86 K HA 0.226 4.546 4.320 -0.001 0.000 0.266 86 K C -1.027 175.093 176.600 -0.801 0.000 0.987 86 K CA -0.828 55.016 56.287 -0.738 0.000 0.868 86 K CB 1.710 34.027 32.500 -0.304 0.000 1.421 86 K HN 0.462 nan 8.250 nan 0.000 0.444 87 D N 0.247 120.421 120.400 -0.376 0.000 2.174 87 D HA 0.038 4.678 4.640 -0.001 0.000 0.245 87 D C -0.451 175.839 176.300 -0.016 0.000 1.301 87 D CA 0.583 54.564 54.000 -0.032 0.000 0.959 87 D CB 0.468 41.260 40.800 -0.013 0.000 1.231 87 D HN 0.236 nan 8.370 nan 0.000 0.535 88 S N 0.313 116.033 115.700 0.033 0.000 2.543 88 S HA 0.332 4.802 4.470 -0.001 0.000 0.299 88 S C -0.456 174.155 174.600 0.018 0.000 1.125 88 S CA -0.119 58.095 58.200 0.022 0.000 1.098 88 S CB 0.373 63.598 63.200 0.042 0.000 1.063 88 S HN 0.403 nan 8.310 nan 0.000 0.493 89 Q N 1.564 121.365 119.800 0.002 0.000 1.918 89 Q HA -0.078 4.261 4.340 -0.001 0.000 0.262 89 Q C 0.263 176.256 176.000 -0.012 0.000 0.753 89 Q CA 0.083 55.887 55.803 0.002 0.000 0.422 89 Q CB -1.280 27.467 28.738 0.015 0.000 0.640 89 Q HN 0.890 nan 8.270 nan 0.000 0.324 90 G N 2.726 111.508 108.800 -0.030 0.000 2.332 90 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.292 90 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.292 90 G C 0.079 174.951 174.900 -0.047 0.000 0.586 90 G CA 1.049 46.114 45.100 -0.059 0.000 2.045 90 G HN 0.327 nan 8.290 nan 0.000 0.505 91 K N 2.301 122.679 120.400 -0.037 0.000 2.227 91 K HA 0.431 4.751 4.320 -0.001 0.000 0.280 91 K C 0.582 177.158 176.600 -0.040 0.000 1.041 91 K CA -0.900 55.382 56.287 -0.009 0.000 0.905 91 K CB 0.535 33.053 32.500 0.031 0.000 1.068 91 K HN 0.223 nan 8.250 nan 0.000 0.470 92 L N 5.427 126.628 121.223 -0.038 0.000 2.490 92 L HA 0.022 4.361 4.340 -0.001 0.000 0.274 92 L C 0.988 177.891 176.870 0.056 0.000 1.201 92 L CA -0.354 54.445 54.840 -0.070 0.000 0.869 92 L CB 0.143 42.186 42.059 -0.026 0.000 1.123 92 L HN 0.774 nan 8.230 nan 0.000 0.484 93 F N 1.853 121.820 119.950 0.029 0.000 2.120 93 F HA -0.241 4.285 4.527 -0.001 0.000 0.300 93 F C 2.480 178.249 175.800 -0.051 0.000 1.095 93 F CA 1.737 59.779 58.000 0.069 0.000 1.249 93 F CB -0.714 38.403 39.000 0.194 0.000 0.995 93 F HN 0.570 nan 8.300 nan 0.000 0.480 94 R N 0.198 120.765 120.500 0.112 0.000 2.159 94 R HA -0.146 4.194 4.340 -0.001 0.000 0.237 94 R C 1.411 177.693 176.300 -0.031 0.000 1.131 94 R CA 1.811 57.885 56.100 -0.044 0.000 0.982 94 R CB -0.662 29.570 30.300 -0.112 0.000 0.868 94 R HN 0.195 nan 8.270 nan 0.000 0.453 95 N N 0.576 119.283 118.700 0.013 0.000 2.424 95 N HA 0.084 4.824 4.740 -0.001 0.000 0.178 95 N C 1.677 177.204 175.510 0.028 0.000 1.060 95 N CA 0.603 53.660 53.050 0.012 0.000 0.901 95 N CB 0.147 38.643 38.487 0.015 0.000 0.979 95 N HN 0.291 nan 8.380 nan 0.000 0.451 96 I N 0.584 121.192 120.570 0.064 0.000 2.353 96 I HA -0.159 4.011 4.170 -0.001 0.000 0.248 96 I C 1.869 177.999 176.117 0.022 0.000 1.119 96 I CA 0.758 62.103 61.300 0.076 0.000 1.417 96 I CB 0.052 38.150 38.000 0.163 0.000 1.078 96 I HN 0.030 nan 8.210 nan 0.000 0.421 97 L N 0.244 121.444 121.223 -0.037 0.000 2.044 97 L HA -0.163 4.176 4.340 -0.001 0.000 0.205 97 L C 2.512 179.347 176.870 -0.058 0.000 1.075 97 L CA 1.339 56.119 54.840 -0.100 0.000 0.747 97 L CB -0.481 41.426 42.059 -0.254 0.000 0.903 97 L HN 0.086 nan 8.230 nan 0.000 0.435 98 K N -0.060 120.314 120.400 -0.045 0.000 2.097 98 K HA -0.230 4.089 4.320 -0.001 0.000 0.206 98 K C 2.029 178.623 176.600 -0.009 0.000 1.049 98 K CA 1.398 57.670 56.287 -0.024 0.000 0.933 98 K CB -0.049 32.440 32.500 -0.018 0.000 0.717 98 K HN 0.258 nan 8.250 nan 0.000 0.442 99 E N 1.130 121.328 120.200 -0.002 0.000 2.150 99 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 99 E C 1.129 177.733 176.600 0.007 0.000 0.985 99 E CA 1.047 57.451 56.400 0.006 0.000 0.814 99 E CB 0.261 29.969 29.700 0.013 0.000 0.752 99 E HN 0.144 nan 8.360 nan 0.000 0.466 100 K N -0.892 119.511 120.400 0.005 0.000 2.525 100 K HA 0.043 4.362 4.320 -0.001 0.000 0.192 100 K C 0.846 177.447 176.600 0.003 0.000 1.029 100 K CA 0.530 56.822 56.287 0.008 0.000 1.029 100 K CB 0.460 32.966 32.500 0.011 0.000 0.814 100 K HN 0.277 nan 8.250 nan 0.000 0.503 101 G N 1.833 110.633 108.800 -0.001 0.000 2.132 101 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.234 101 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.234 101 G C 0.018 174.915 174.900 -0.004 0.000 0.989 101 G CA -0.304 44.795 45.100 -0.001 0.000 0.676 101 G HN 0.236 nan 8.290 nan 0.000 0.522 102 I N 0.941 121.506 120.570 -0.010 0.000 2.353 102 I HA 0.399 4.569 4.170 -0.001 0.000 0.293 102 I C 0.877 176.997 176.117 0.004 0.000 0.992 102 I CA -1.190 60.104 61.300 -0.009 0.000 1.268 102 I CB 1.782 39.766 38.000 -0.027 0.000 1.387 102 I HN -0.107 nan 8.210 nan 0.000 0.478 103 V N 7.057 126.999 119.914 0.046 0.000 2.555 103 V HA 0.133 4.253 4.120 -0.001 0.000 0.286 103 V C 0.302 176.502 176.094 0.178 0.000 1.044 103 V CA -0.483 61.887 62.300 0.116 0.000 1.026 103 V CB 1.162 33.084 31.823 0.166 0.000 0.981 103 V HN 0.378 nan 8.190 nan 0.000 0.480 104 V N 4.085 124.019 119.914 0.034 0.000 2.539 104 V HA 0.796 4.915 4.120 -0.001 0.000 0.292 104 V C 0.744 176.523 176.094 -0.525 0.000 1.045 104 V CA 0.002 62.206 62.300 -0.160 0.000 0.945 104 V CB 1.442 33.146 31.823 -0.199 0.000 0.993 104 V HN 1.024 nan 8.190 nan 0.000 0.464 105 G N 2.808 111.013 108.800 -0.992 0.000 2.600 105 G HA2 0.751 4.711 3.960 -0.001 0.000 0.303 105 G HA3 0.751 4.711 3.960 -0.001 0.000 0.303 105 G C -1.774 172.657 174.900 -0.783 0.000 1.253 105 G CA -0.559 43.475 45.100 -1.776 0.000 0.974 105 G HN 0.519 nan 8.290 nan 0.000 0.483 106 I N -0.258 119.953 120.570 -0.599 0.000 2.607 106 I HA 0.404 4.574 4.170 -0.001 0.000 0.290 106 I C -0.221 175.772 176.117 -0.206 0.000 1.129 106 I CA -1.535 59.513 61.300 -0.419 0.000 1.042 106 I CB 2.062 39.644 38.000 -0.698 0.000 1.242 106 I HN 0.431 nan 8.210 nan 0.000 0.421 107 K N 6.751 127.094 120.400 -0.095 0.000 2.412 107 K HA 0.222 4.542 4.320 -0.001 0.000 0.284 107 K C -0.088 176.522 176.600 0.016 0.000 1.046 107 K CA 0.179 56.469 56.287 0.006 0.000 0.999 107 K CB 0.445 33.006 32.500 0.101 0.000 0.941 107 K HN 0.773 nan 8.250 nan 0.000 0.474 108 L N 2.814 124.064 121.223 0.046 0.000 2.672 108 L HA 0.080 4.419 4.340 -0.001 0.000 0.236 108 L C 0.388 177.264 176.870 0.009 0.000 1.092 108 L CA -0.315 54.610 54.840 0.141 0.000 0.887 108 L CB 0.144 42.414 42.059 0.352 0.000 1.168 108 L HN 0.717 nan 8.230 nan 0.000 0.502 109 D N -0.713 119.502 120.400 -0.309 0.000 2.344 109 D HA 0.051 4.691 4.640 -0.001 0.000 0.244 109 D C 0.153 176.201 176.300 -0.421 0.000 1.134 109 D CA -0.236 53.259 54.000 -0.841 0.000 0.930 109 D CB 0.709 40.628 40.800 -1.469 0.000 1.175 109 D HN -0.006 nan 8.370 nan 0.000 0.437 110 Q N 0.575 120.121 119.800 -0.423 0.000 2.182 110 Q HA 0.384 4.724 4.340 -0.001 0.000 0.305 110 Q C 0.134 176.019 176.000 -0.191 0.000 0.880 110 Q CA -0.407 55.277 55.803 -0.199 0.000 1.131 110 Q CB 1.005 29.678 28.738 -0.108 0.000 1.237 110 Q HN 0.818 nan 8.270 nan 0.000 0.447 111 G N 0.034 108.674 108.800 -0.266 0.000 2.796 111 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.571 111 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.571 111 G C 0.056 174.858 174.900 -0.163 0.000 1.370 111 G CA -0.772 44.210 45.100 -0.196 0.000 0.856 111 G HN 0.408 nan 8.290 nan 0.000 0.538 112 G N -0.915 107.820 108.800 -0.107 0.000 2.572 112 G HA2 0.847 4.806 3.960 -0.001 0.000 0.261 112 G HA3 0.847 4.806 3.960 -0.001 0.000 0.261 112 G C 0.188 175.062 174.900 -0.043 0.000 1.197 112 G CA 0.659 45.718 45.100 -0.068 0.000 0.870 112 G HN 2.242 nan 8.290 nan 0.000 0.548 113 A N 1.457 124.265 122.820 -0.020 0.000 2.459 113 A HA 0.784 5.104 4.320 -0.001 0.000 0.296 113 A C -2.783 174.802 177.584 0.002 0.000 1.039 113 A CA -1.245 50.789 52.037 -0.006 0.000 0.698 113 A CB 2.016 21.020 19.000 0.007 0.000 1.261 113 A HN 0.540 nan 8.150 nan 0.000 0.405 114 P HA 0.285 nan 4.420 nan 0.000 0.269 114 P C -0.901 176.406 177.300 0.011 0.000 1.215 114 P CA -0.096 63.006 63.100 0.004 0.000 0.780 114 P CB 0.773 32.474 31.700 0.003 0.000 0.898 115 L N 2.445 123.675 121.223 0.012 0.000 2.318 115 L HA 0.472 4.812 4.340 -0.001 0.000 0.277 115 L C 0.264 177.142 176.870 0.013 0.000 1.008 115 L CA -0.982 53.868 54.840 0.016 0.000 0.846 115 L CB 0.216 42.286 42.059 0.018 0.000 1.220 115 L HN 0.443 nan 8.230 nan 0.000 0.423 116 A N 3.313 126.141 122.820 0.013 0.000 2.555 116 A HA 0.456 4.775 4.320 -0.001 0.000 0.233 116 A C 1.240 178.831 177.584 0.012 0.000 1.060 116 A CA 0.640 52.684 52.037 0.011 0.000 0.759 116 A CB -0.342 18.665 19.000 0.011 0.000 0.995 116 A HN 1.710 nan 8.150 nan 0.000 0.506 117 G N 0.824 109.631 108.800 0.011 0.000 2.212 117 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.255 117 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.255 117 G C 0.149 175.057 174.900 0.013 0.000 1.062 117 G CA 0.495 45.602 45.100 0.012 0.000 0.815 117 G HN 1.366 nan 8.290 nan 0.000 0.497 118 T N -0.658 113.904 114.554 0.012 0.000 2.900 118 T HA 0.451 4.801 4.350 -0.001 0.000 0.303 118 T C -0.041 174.666 174.700 0.013 0.000 1.142 118 T CA -0.411 61.697 62.100 0.014 0.000 1.007 118 T CB 1.291 70.167 68.868 0.013 0.000 1.156 118 T HN 0.261 nan 8.240 nan 0.000 0.490 119 N N 2.506 121.214 118.700 0.014 0.000 2.892 119 N HA 0.034 4.774 4.740 -0.001 0.000 0.300 119 N C -0.168 175.348 175.510 0.010 0.000 1.211 119 N CA 0.361 53.419 53.050 0.013 0.000 1.158 119 N CB -0.957 37.540 38.487 0.016 0.000 1.455 119 N HN 0.627 nan 8.380 nan 0.000 0.524 120 K N 0.026 120.431 120.400 0.008 0.000 3.117 120 K HA -0.213 4.106 4.320 -0.001 0.000 0.269 120 K C -0.749 175.854 176.600 0.004 0.000 1.098 120 K CA 0.706 56.996 56.287 0.005 0.000 0.785 120 K CB -1.221 31.281 32.500 0.004 0.000 1.242 120 K HN 0.644 nan 8.250 nan 0.000 0.491 121 E N 0.363 120.567 120.200 0.007 0.000 2.250 121 E HA 0.404 4.754 4.350 -0.001 0.000 0.269 121 E C 0.547 177.151 176.600 0.007 0.000 1.018 121 E CA -0.347 56.057 56.400 0.007 0.000 0.873 121 E CB 1.501 31.207 29.700 0.010 0.000 1.134 121 E HN 0.338 nan 8.360 nan 0.000 0.403 122 T N -1.576 112.982 114.554 0.007 0.000 2.831 122 T HA 0.630 4.980 4.350 -0.001 0.000 0.287 122 T C -0.055 174.657 174.700 0.021 0.000 1.070 122 T CA -0.771 61.335 62.100 0.010 0.000 1.010 122 T CB 1.637 70.504 68.868 -0.002 0.000 1.264 122 T HN 0.402 nan 8.240 nan 0.000 0.532 123 T N 0.002 114.573 114.554 0.029 0.000 2.724 123 T HA 0.730 5.080 4.350 -0.001 0.000 0.274 123 T C -0.825 173.906 174.700 0.051 0.000 0.984 123 T CA -0.876 61.259 62.100 0.059 0.000 1.024 123 T CB 0.937 69.854 68.868 0.082 0.000 1.320 123 T HN 0.632 nan 8.240 nan 0.000 0.555 124 I N 1.203 121.846 120.570 0.121 0.000 2.608 124 I HA 0.388 4.558 4.170 -0.001 0.000 0.295 124 I C -0.114 176.053 176.117 0.083 0.000 1.049 124 I CA -0.806 60.505 61.300 0.019 0.000 1.063 124 I CB 1.947 39.924 38.000 -0.038 0.000 1.248 124 I HN 0.721 nan 8.210 nan 0.000 0.424 125 Q N 2.559 122.305 119.800 -0.090 0.000 2.204 125 Q HA 0.734 5.073 4.340 -0.001 0.000 0.254 125 Q C 0.460 176.402 176.000 -0.098 0.000 0.981 125 Q CA -0.710 55.096 55.803 0.005 0.000 0.897 125 Q CB 2.182 30.912 28.738 -0.014 0.000 1.273 125 Q HN 0.961 nan 8.270 nan 0.000 0.464 126 G N -0.082 108.792 108.800 0.124 0.000 2.559 126 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.202 126 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.202 126 G C 0.401 175.507 174.900 0.343 0.000 0.992 126 G CA -0.375 44.800 45.100 0.125 0.000 0.764 126 G HN 0.478 nan 8.290 nan 0.000 0.525 127 L N 0.793 122.240 121.223 0.374 0.000 2.341 127 L HA 0.238 4.577 4.340 -0.001 0.000 0.214 127 L C 0.421 177.389 176.870 0.163 0.000 1.115 127 L CA 0.179 55.187 54.840 0.279 0.000 0.820 127 L CB -0.187 41.975 42.059 0.173 0.000 0.944 127 L HN 0.043 nan 8.230 nan 0.000 0.452 128 D N 1.428 121.905 120.400 0.128 0.000 2.417 128 D HA 0.189 4.828 4.640 -0.001 0.000 0.250 128 D C 1.234 177.573 176.300 0.066 0.000 1.166 128 D CA 1.057 55.103 54.000 0.077 0.000 0.881 128 D CB 1.127 41.960 40.800 0.056 0.000 1.164 128 D HN 0.261 nan 8.370 nan 0.000 0.467 129 G N 2.145 110.975 108.800 0.051 0.000 2.187 129 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.261 129 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.261 129 G C 1.006 175.935 174.900 0.048 0.000 1.000 129 G CA 0.598 45.719 45.100 0.035 0.000 0.718 129 G HN 0.513 nan 8.290 nan 0.000 0.519 130 L N 0.783 122.060 121.223 0.090 0.000 2.083 130 L HA 0.038 4.377 4.340 -0.001 0.000 0.209 130 L C 2.686 179.615 176.870 0.097 0.000 1.083 130 L CA 3.088 58.008 54.840 0.134 0.000 0.752 130 L CB -0.655 41.522 42.059 0.196 0.000 0.899 130 L HN 0.262 nan 8.230 nan 0.000 0.433 131 S N -0.189 115.550 115.700 0.065 0.000 2.359 131 S HA -0.198 4.272 4.470 -0.001 0.000 0.224 131 S C 1.720 176.338 174.600 0.030 0.000 1.035 131 S CA 1.587 59.815 58.200 0.046 0.000 1.018 131 S CB -0.415 62.802 63.200 0.029 0.000 0.876 131 S HN 0.537 nan 8.310 nan 0.000 0.448 132 E N 1.263 121.470 120.200 0.012 0.000 2.106 132 E HA -0.033 4.316 4.350 -0.001 0.000 0.192 132 E C 2.119 178.688 176.600 -0.051 0.000 0.984 132 E CA 0.819 57.210 56.400 -0.016 0.000 0.806 132 E CB -0.241 29.444 29.700 -0.025 0.000 0.750 132 E HN 0.394 nan 8.360 nan 0.000 0.458 133 R N -0.178 120.290 120.500 -0.053 0.000 2.081 133 R HA -0.055 4.285 4.340 -0.001 0.000 0.235 133 R C 2.232 178.468 176.300 -0.108 0.000 1.131 133 R CA 1.420 57.423 56.100 -0.163 0.000 0.960 133 R CB -0.528 29.733 30.300 -0.065 0.000 0.856 133 R HN 0.248 nan 8.270 nan 0.000 0.436 134 C N -0.149 119.199 119.300 0.081 0.000 2.435 134 C HA -0.003 4.457 4.460 -0.001 0.000 0.279 134 C C 2.839 177.900 174.990 0.118 0.000 1.321 134 C CA 0.593 59.722 59.018 0.185 0.000 1.752 134 C CB -0.867 26.965 27.740 0.153 0.000 1.959 134 C HN 0.573 nan 8.230 nan 0.000 0.500 135 A N -0.025 122.822 122.820 0.045 0.000 1.930 135 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 135 A C 2.119 179.720 177.584 0.028 0.000 1.175 135 A CA 1.914 53.972 52.037 0.034 0.000 0.627 135 A CB -0.531 18.476 19.000 0.011 0.000 0.815 135 A HN 0.539 nan 8.150 nan 0.000 0.443 136 Q N -1.092 118.693 119.800 -0.025 0.000 2.083 136 Q HA -0.106 4.234 4.340 -0.001 0.000 0.198 136 Q C 1.628 177.662 176.000 0.057 0.000 0.969 136 Q CA 1.722 57.505 55.803 -0.033 0.000 0.838 136 Q CB -0.588 28.061 28.738 -0.147 0.000 0.900 136 Q HN 0.684 nan 8.270 nan 0.000 0.436 137 Y N 0.346 120.699 120.300 0.090 0.000 2.224 137 Y HA -0.136 4.413 4.550 -0.001 0.000 0.289 137 Y C 2.201 178.118 175.900 0.029 0.000 1.146 137 Y CA 1.469 59.609 58.100 0.068 0.000 1.182 137 Y CB -0.524 37.969 38.460 0.054 0.000 0.983 137 Y HN 0.097 nan 8.280 nan 0.000 0.524 138 K N 0.872 121.381 120.400 0.182 0.000 2.032 138 K HA -0.187 4.133 4.320 -0.001 0.000 0.209 138 K C 2.008 178.656 176.600 0.079 0.000 1.048 138 K CA 1.659 58.008 56.287 0.104 0.000 0.927 138 K CB -0.197 32.351 32.500 0.080 0.000 0.712 138 K HN 0.137 nan 8.250 nan 0.000 0.441 139 K N 0.097 120.544 120.400 0.078 0.000 2.032 139 K HA -0.135 4.184 4.320 -0.001 0.000 0.209 139 K C 1.226 177.869 176.600 0.072 0.000 1.048 139 K CA 1.780 58.104 56.287 0.062 0.000 0.927 139 K CB -0.132 32.398 32.500 0.051 0.000 0.712 139 K HN 0.196 nan 8.250 nan 0.000 0.441 140 D N -1.186 119.279 120.400 0.108 0.000 2.378 140 D HA 0.000 4.640 4.640 -0.001 0.000 0.227 140 D C 0.829 177.156 176.300 0.045 0.000 1.012 140 D CA 1.010 55.075 54.000 0.109 0.000 0.905 140 D CB 0.586 41.510 40.800 0.207 0.000 0.895 140 D HN 0.513 nan 8.370 nan 0.000 0.532 141 G N -0.699 108.122 108.800 0.036 0.000 2.175 141 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.182 141 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.182 141 G C 0.224 175.109 174.900 -0.025 0.000 1.003 141 G CA -0.030 45.072 45.100 0.003 0.000 0.666 141 G HN 0.227 nan 8.290 nan 0.000 0.506 142 V N 1.054 120.951 119.914 -0.028 0.000 2.607 142 V HA 0.478 4.598 4.120 -0.001 0.000 0.289 142 V C 0.602 176.682 176.094 -0.023 0.000 1.053 142 V CA 0.241 62.488 62.300 -0.088 0.000 0.996 142 V CB 1.665 33.408 31.823 -0.134 0.000 0.995 142 V HN 0.238 nan 8.190 nan 0.000 0.476 143 D N 2.128 122.516 120.400 -0.021 0.000 2.520 143 D HA 0.213 4.853 4.640 -0.001 0.000 0.223 143 D C -0.249 176.172 176.300 0.202 0.000 1.186 143 D CA 0.504 54.558 54.000 0.090 0.000 0.821 143 D CB 1.208 42.092 40.800 0.140 0.000 1.072 143 D HN 0.535 nan 8.370 nan 0.000 0.518 144 F N -0.531 119.417 119.950 -0.002 0.000 2.662 144 F HA 0.720 5.246 4.527 -0.001 0.000 0.312 144 F C -0.432 175.385 175.800 0.028 0.000 1.113 144 F CA -1.108 56.900 58.000 0.013 0.000 0.951 144 F CB 1.213 40.213 39.000 0.001 0.000 1.344 144 F HN -0.217 nan 8.300 nan 0.000 0.462 145 G N 0.866 109.802 108.800 0.227 0.000 2.714 145 G HA2 0.621 4.581 3.960 -0.001 0.000 0.292 145 G HA3 0.621 4.581 3.960 -0.001 0.000 0.292 145 G C -2.158 172.973 174.900 0.386 0.000 1.308 145 G CA -1.074 44.138 45.100 0.187 0.000 0.964 145 G HN 0.716 nan 8.290 nan 0.000 0.484 146 K N 0.001 120.577 120.400 0.294 0.000 2.513 146 K HA 0.337 4.657 4.320 -0.001 0.000 0.251 146 K C -2.224 174.427 176.600 0.085 0.000 0.939 146 K CA -0.766 55.668 56.287 0.244 0.000 0.793 146 K CB 2.484 35.086 32.500 0.171 0.000 1.241 146 K HN 0.575 nan 8.250 nan 0.000 0.431 147 W N 6.418 127.542 121.300 -0.292 0.000 2.687 147 W HA 0.356 5.016 4.660 0.000 0.000 0.328 147 W C -1.404 174.940 176.519 -0.293 0.000 1.012 147 W CA -0.623 56.370 57.345 -0.586 0.000 1.262 147 W CB 1.030 29.543 29.460 -1.579 0.000 1.331 147 W HN 0.679 nan 8.180 nan 0.000 0.433 148 R N 4.457 124.820 120.500 -0.229 0.000 2.338 148 R HA 0.725 5.064 4.340 -0.001 0.000 0.317 148 R C -0.811 175.451 176.300 -0.064 0.000 0.968 148 R CA -0.132 55.926 56.100 -0.070 0.000 0.849 148 R CB 1.312 31.561 30.300 -0.084 0.000 1.128 148 R HN 0.408 nan 8.270 nan 0.000 0.448 149 A N 3.403 126.263 122.820 0.066 0.000 2.294 149 A HA 0.677 4.996 4.320 -0.001 0.000 0.330 149 A C -1.056 176.541 177.584 0.020 0.000 1.133 149 A CA -0.711 51.365 52.037 0.065 0.000 0.836 149 A CB 1.804 20.872 19.000 0.113 0.000 1.190 149 A HN 0.501 nan 8.150 nan 0.000 0.492 150 V N 2.482 122.402 119.914 0.010 0.000 2.569 150 V HA 0.411 4.530 4.120 -0.001 0.000 0.301 150 V C -1.090 175.006 176.094 0.003 0.000 1.044 150 V CA -0.501 61.800 62.300 0.001 0.000 0.874 150 V CB 1.284 33.098 31.823 -0.015 0.000 1.002 150 V HN 0.702 nan 8.190 nan 0.000 0.424 151 L N 4.913 126.137 121.223 0.002 0.000 2.354 151 L HA 0.728 5.068 4.340 -0.001 0.000 0.269 151 L C -0.077 176.783 176.870 -0.016 0.000 1.005 151 L CA -0.621 54.216 54.840 -0.005 0.000 0.819 151 L CB 2.244 44.299 42.059 -0.007 0.000 1.311 151 L HN 0.654 nan 8.230 nan 0.000 0.423 152 R N 1.815 122.301 120.500 -0.025 0.000 2.854 152 R HA 0.763 5.102 4.340 -0.001 0.000 0.271 152 R C -0.932 175.322 176.300 -0.076 0.000 0.994 152 R CA -0.754 55.326 56.100 -0.033 0.000 0.945 152 R CB 2.410 32.702 30.300 -0.013 0.000 1.194 152 R HN 0.429 nan 8.270 nan 0.000 0.476 153 I N 1.467 121.955 120.570 -0.136 0.000 2.354 153 I HA 0.728 4.897 4.170 -0.001 0.000 0.292 153 I C -0.141 175.931 176.117 -0.076 0.000 0.989 153 I CA -0.269 60.905 61.300 -0.211 0.000 1.188 153 I CB 1.676 39.307 38.000 -0.616 0.000 1.342 153 I HN 0.812 nan 8.210 nan 0.000 0.457 154 A N 4.304 127.119 122.820 -0.009 0.000 2.410 154 A HA 0.294 4.613 4.320 -0.001 0.000 0.300 154 A C -1.459 176.152 177.584 0.046 0.000 1.077 154 A CA -0.726 51.332 52.037 0.034 0.000 0.610 154 A CB 0.573 19.588 19.000 0.025 0.000 1.371 154 A HN 0.580 nan 8.150 nan 0.000 0.510 155 D N 1.026 121.453 120.400 0.045 0.000 2.554 155 D HA 0.163 4.803 4.640 -0.001 0.000 0.251 155 D C 0.631 176.952 176.300 0.036 0.000 1.213 155 D CA 1.737 55.762 54.000 0.041 0.000 0.900 155 D CB -0.172 40.648 40.800 0.034 0.000 1.135 155 D HN 0.535 nan 8.370 nan 0.000 0.522 156 Q N 0.618 120.443 119.800 0.043 0.000 2.460 156 Q HA -0.229 4.111 4.340 -0.001 0.000 0.248 156 Q C -0.695 175.327 176.000 0.036 0.000 0.847 156 Q CA 0.757 56.583 55.803 0.039 0.000 1.214 156 Q CB -1.849 26.907 28.738 0.030 0.000 1.523 156 Q HN 0.521 nan 8.270 nan 0.000 0.602 157 C N 0.556 119.875 119.300 0.032 0.000 2.561 157 C HA 0.575 5.035 4.460 -0.001 0.000 0.319 157 C C -2.122 172.877 174.990 0.016 0.000 1.198 157 C CA -1.344 57.685 59.018 0.019 0.000 1.665 157 C CB 1.449 29.194 27.740 0.009 0.000 2.258 157 C HN 0.139 nan 8.230 nan 0.000 0.493 158 P HA 0.176 nan 4.420 nan 0.000 0.287 158 P C -0.089 177.225 177.300 0.024 0.000 1.307 158 P CA 0.424 63.529 63.100 0.008 0.000 0.777 158 P CB 0.849 32.547 31.700 -0.005 0.000 0.883 159 S N 2.415 118.129 115.700 0.023 0.000 2.580 159 S HA 0.035 4.505 4.470 -0.001 0.000 0.266 159 S C 1.442 176.056 174.600 0.022 0.000 1.354 159 S CA 0.022 58.237 58.200 0.026 0.000 1.008 159 S CB -0.105 63.108 63.200 0.022 0.000 0.898 159 S HN 0.373 nan 8.310 nan 0.000 0.555 160 S N 0.684 116.398 115.700 0.024 0.000 2.382 160 S HA -0.090 4.379 4.470 -0.001 0.000 0.228 160 S C 1.671 176.281 174.600 0.018 0.000 1.027 160 S CA 1.129 59.341 58.200 0.020 0.000 0.991 160 S CB -0.750 62.463 63.200 0.021 0.000 0.823 160 S HN 0.700 nan 8.310 nan 0.000 0.469 161 L N 1.782 123.017 121.223 0.019 0.000 2.141 161 L HA 0.059 4.398 4.340 -0.001 0.000 0.209 161 L C 2.193 179.075 176.870 0.019 0.000 1.094 161 L CA 1.673 56.524 54.840 0.019 0.000 0.763 161 L CB -0.932 41.139 42.059 0.019 0.000 0.908 161 L HN 0.213 nan 8.230 nan 0.000 0.437 162 A N 0.031 122.862 122.820 0.018 0.000 1.855 162 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 162 A C 2.260 179.853 177.584 0.016 0.000 1.191 162 A CA 2.138 54.186 52.037 0.018 0.000 0.613 162 A CB -0.893 18.117 19.000 0.016 0.000 0.829 162 A HN 0.475 nan 8.150 nan 0.000 0.442 163 I N -0.327 120.249 120.570 0.010 0.000 2.226 163 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 163 I C 2.774 178.893 176.117 0.003 0.000 1.100 163 I CA 1.644 62.946 61.300 0.003 0.000 1.374 163 I CB -0.398 37.601 38.000 -0.002 0.000 1.057 163 I HN 0.454 nan 8.210 nan 0.000 0.413 164 Q N 0.275 120.080 119.800 0.008 0.000 2.083 164 Q HA -0.244 4.095 4.340 -0.001 0.000 0.198 164 Q C 2.054 178.061 176.000 0.011 0.000 0.969 164 Q CA 1.540 57.348 55.803 0.008 0.000 0.838 164 Q CB -0.209 28.538 28.738 0.015 0.000 0.900 164 Q HN 0.399 nan 8.270 nan 0.000 0.436 165 E N 1.320 121.531 120.200 0.018 0.000 2.106 165 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 165 E C 1.501 178.117 176.600 0.026 0.000 0.984 165 E CA 1.236 57.652 56.400 0.026 0.000 0.806 165 E CB -0.142 29.577 29.700 0.032 0.000 0.750 165 E HN 0.248 nan 8.360 nan 0.000 0.458 166 N N -0.112 118.605 118.700 0.029 0.000 2.396 166 N HA -0.065 4.675 4.740 -0.001 0.000 0.180 166 N C 1.488 176.993 175.510 -0.007 0.000 1.028 166 N CA 1.016 54.093 53.050 0.045 0.000 0.893 166 N CB -0.010 38.507 38.487 0.049 0.000 0.967 166 N HN 0.339 nan 8.380 nan 0.000 0.440 167 A N 1.677 124.477 122.820 -0.034 0.000 1.897 167 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 167 A C 1.985 179.492 177.584 -0.129 0.000 1.181 167 A CA 0.915 52.902 52.037 -0.082 0.000 0.620 167 A CB -0.297 18.668 19.000 -0.058 0.000 0.821 167 A HN 0.264 nan 8.150 nan 0.000 0.443 168 N N 0.559 119.211 118.700 -0.081 0.000 2.244 168 N HA -0.097 4.642 4.740 -0.001 0.000 0.183 168 N C 1.914 177.299 175.510 -0.209 0.000 1.016 168 N CA 1.308 54.288 53.050 -0.117 0.000 0.866 168 N CB -0.330 38.182 38.487 0.042 0.000 0.980 168 N HN 0.476 nan 8.380 nan 0.000 0.430 169 A N 1.715 124.449 122.820 -0.144 0.000 1.930 169 A HA -0.028 4.292 4.320 -0.001 0.000 0.217 169 A C 2.390 179.626 177.584 -0.580 0.000 1.175 169 A CA 0.697 52.596 52.037 -0.230 0.000 0.627 169 A CB -0.689 18.331 19.000 0.032 0.000 0.815 169 A HN 0.145 nan 8.150 nan 0.000 0.443 170 L N -0.741 120.188 121.223 -0.490 0.000 2.043 170 L HA -0.266 4.073 4.340 -0.001 0.000 0.212 170 L C 3.078 179.728 176.870 -0.366 0.000 1.075 170 L CA 1.312 55.864 54.840 -0.480 0.000 0.752 170 L CB -0.451 41.464 42.059 -0.241 0.000 0.891 170 L HN 0.460 nan 8.230 nan 0.000 0.432 171 A N -0.709 121.840 122.820 -0.451 0.000 1.897 171 A HA -0.130 4.189 4.320 -0.001 0.000 0.215 171 A C 2.361 179.584 177.584 -0.602 0.000 1.181 171 A CA 0.930 52.616 52.037 -0.586 0.000 0.620 171 A CB -0.315 18.146 19.000 -0.898 0.000 0.821 171 A HN 0.210 nan 8.150 nan 0.000 0.443 172 R N -1.200 118.961 120.500 -0.564 0.000 2.073 172 R HA -0.167 4.172 4.340 -0.001 0.000 0.234 172 R C 2.068 178.201 176.300 -0.279 0.000 1.134 172 R CA 1.797 57.716 56.100 -0.303 0.000 0.952 172 R CB -1.261 28.923 30.300 -0.194 0.000 0.850 172 R HN 0.760 nan 8.270 nan 0.000 0.433 173 Y N 1.298 121.280 120.300 -0.532 0.000 2.081 173 Y HA -0.269 4.280 4.550 -0.001 0.000 0.280 173 Y C 2.221 177.967 175.900 -0.258 0.000 1.163 173 Y CA 1.649 59.444 58.100 -0.507 0.000 1.135 173 Y CB -0.736 37.046 38.460 -1.130 0.000 0.970 173 Y HN 0.063 nan 8.280 nan 0.000 0.498 174 A N -0.402 121.941 122.820 -0.796 0.000 1.908 174 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 174 A C 2.561 179.928 177.584 -0.361 0.000 1.181 174 A CA 2.219 53.858 52.037 -0.663 0.000 0.627 174 A CB -1.576 17.192 19.000 -0.386 0.000 0.818 174 A HN 0.586 nan 8.150 nan 0.000 0.445 175 S N -0.483 115.066 115.700 -0.252 0.000 2.359 175 S HA -0.146 4.323 4.470 -0.001 0.000 0.224 175 S C 1.914 176.455 174.600 -0.098 0.000 1.035 175 S CA 1.584 59.714 58.200 -0.118 0.000 1.018 175 S CB -0.512 62.650 63.200 -0.063 0.000 0.876 175 S HN 0.480 nan 8.310 nan 0.000 0.448 176 I N 0.897 121.396 120.570 -0.119 0.000 2.179 176 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 176 I C 2.590 178.674 176.117 -0.054 0.000 1.088 176 I CA 0.966 62.231 61.300 -0.057 0.000 1.357 176 I CB -0.555 37.433 38.000 -0.021 0.000 1.051 176 I HN 0.409 nan 8.210 nan 0.000 0.409 177 C N 0.525 119.750 119.300 -0.125 0.000 2.391 177 C HA -0.227 4.232 4.460 -0.001 0.000 0.276 177 C C 2.843 177.809 174.990 -0.040 0.000 1.217 177 C CA 1.131 60.101 59.018 -0.080 0.000 1.766 177 C CB -1.266 26.356 27.740 -0.197 0.000 2.046 177 C HN 0.543 nan 8.230 nan 0.000 0.475 178 Q N -0.487 119.279 119.800 -0.057 0.000 2.167 178 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 178 Q C 2.191 178.191 176.000 -0.000 0.000 0.970 178 Q CA 0.890 56.688 55.803 -0.008 0.000 0.855 178 Q CB -0.282 28.467 28.738 0.019 0.000 0.911 178 Q HN 0.643 nan 8.270 nan 0.000 0.438 179 Q N 0.302 120.098 119.800 -0.006 0.000 2.437 179 Q HA -0.022 4.318 4.340 -0.001 0.000 0.210 179 Q C 0.788 176.793 176.000 0.009 0.000 0.972 179 Q CA 0.765 56.569 55.803 0.001 0.000 0.903 179 Q CB 0.101 28.841 28.738 0.004 0.000 0.967 179 Q HN 0.386 nan 8.270 nan 0.000 0.486 180 N N -1.130 117.580 118.700 0.016 0.000 2.187 180 N HA 0.102 4.841 4.740 -0.001 0.000 0.212 180 N C 0.482 176.014 175.510 0.037 0.000 1.152 180 N CA 0.697 53.764 53.050 0.030 0.000 0.872 180 N CB 1.501 40.016 38.487 0.046 0.000 1.025 180 N HN 0.293 nan 8.380 nan 0.000 0.514 181 G N 0.935 109.755 108.800 0.033 0.000 2.157 181 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.239 181 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.239 181 G C -0.132 174.803 174.900 0.060 0.000 0.982 181 G CA -0.166 44.959 45.100 0.042 0.000 0.650 181 G HN 0.210 nan 8.290 nan 0.000 0.527 182 L N 0.668 121.928 121.223 0.062 0.000 2.322 182 L HA 0.630 4.969 4.340 -0.001 0.000 0.279 182 L C 0.710 177.632 176.870 0.087 0.000 1.036 182 L CA -1.257 53.636 54.840 0.088 0.000 0.807 182 L CB 1.929 44.042 42.059 0.091 0.000 1.226 182 L HN -0.094 nan 8.230 nan 0.000 0.433 183 V N 4.486 124.481 119.914 0.135 0.000 2.455 183 V HA 0.184 4.303 4.120 -0.001 0.000 0.273 183 V C -1.920 174.250 176.094 0.127 0.000 1.045 183 V CA -1.296 61.066 62.300 0.104 0.000 0.976 183 V CB 1.113 32.989 31.823 0.089 0.000 0.993 183 V HN 0.580 nan 8.190 nan 0.000 0.475 184 P HA 0.308 nan 4.420 nan 0.000 0.281 184 P C -0.481 176.899 177.300 0.134 0.000 1.252 184 P CA -0.196 62.919 63.100 0.024 0.000 0.778 184 P CB 0.785 32.290 31.700 -0.325 0.000 0.895 185 I N 3.553 124.288 120.570 0.275 0.000 2.337 185 I HA 0.131 4.300 4.170 -0.001 0.000 0.291 185 I C 0.239 176.505 176.117 0.250 0.000 1.046 185 I CA -0.670 60.745 61.300 0.191 0.000 1.324 185 I CB 1.060 39.178 38.000 0.198 0.000 1.409 185 I HN 0.003 nan 8.210 nan 0.000 0.494 186 V N 7.198 127.207 119.914 0.158 0.000 2.364 186 V HA 0.133 4.252 4.120 -0.001 0.000 0.272 186 V C 0.400 176.539 176.094 0.075 0.000 1.036 186 V CA -0.402 61.990 62.300 0.154 0.000 0.880 186 V CB 1.294 33.110 31.823 -0.011 0.000 0.991 186 V HN 0.671 nan 8.190 nan 0.000 0.460 187 E N 7.678 127.935 120.200 0.094 0.000 2.079 187 E HA 0.307 4.656 4.350 -0.001 0.000 0.252 187 E C -2.479 174.153 176.600 0.053 0.000 0.992 187 E CA -1.788 54.649 56.400 0.062 0.000 0.829 187 E CB 1.100 30.838 29.700 0.063 0.000 1.158 187 E HN 0.460 nan 8.360 nan 0.000 0.435 188 P HA 0.182 nan 4.420 nan 0.000 0.220 188 P C -0.969 176.344 177.300 0.022 0.000 1.828 188 P CA -0.354 62.756 63.100 0.017 0.000 1.159 188 P CB 0.306 31.997 31.700 -0.015 0.000 1.758 189 E N 2.119 122.337 120.200 0.030 0.000 2.290 189 E HA 0.219 4.569 4.350 -0.001 0.000 0.277 189 E C -0.696 175.919 176.600 0.024 0.000 1.035 189 E CA -0.581 55.840 56.400 0.034 0.000 0.873 189 E CB 0.697 30.416 29.700 0.032 0.000 1.029 189 E HN 0.037 nan 8.360 nan 0.000 0.419 190 V N 6.889 126.819 119.914 0.026 0.000 2.304 190 V HA 0.124 4.244 4.120 -0.001 0.000 0.262 190 V C 0.167 176.281 176.094 0.032 0.000 1.061 190 V CA -0.647 61.660 62.300 0.012 0.000 0.872 190 V CB 0.197 32.019 31.823 -0.001 0.000 1.077 190 V HN 0.726 nan 8.190 nan 0.000 0.480 191 I N 9.356 129.945 120.570 0.032 0.000 2.996 191 I HA -0.037 4.133 4.170 -0.001 0.000 0.310 191 I C -0.643 175.533 176.117 0.097 0.000 1.225 191 I CA -0.470 60.859 61.300 0.048 0.000 1.442 191 I CB 0.486 38.501 38.000 0.024 0.000 1.334 191 I HN 0.478 nan 8.210 nan 0.000 0.550 192 P HA 0.013 nan 4.420 nan 0.000 0.245 192 P C -0.334 177.070 177.300 0.174 0.000 1.206 192 P CA 0.062 63.262 63.100 0.167 0.000 0.781 192 P CB -0.062 31.721 31.700 0.139 0.000 0.994 193 D N 1.215 121.692 120.400 0.128 0.000 2.525 193 D HA 0.319 4.958 4.640 -0.001 0.000 0.235 193 D C 1.484 177.883 176.300 0.166 0.000 1.137 193 D CA 1.590 55.649 54.000 0.099 0.000 0.868 193 D CB -0.121 40.705 40.800 0.043 0.000 1.180 193 D HN 0.275 nan 8.370 nan 0.000 0.465 194 G N 2.118 110.981 108.800 0.105 0.000 2.434 194 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.671 194 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.671 194 G C -0.453 174.442 174.900 -0.009 0.000 1.280 194 G CA -0.113 45.048 45.100 0.103 0.000 0.975 194 G HN 0.555 nan 8.290 nan 0.000 0.510 195 D N -0.701 119.734 120.400 0.059 0.000 2.463 195 D HA 0.126 4.766 4.640 -0.001 0.000 0.224 195 D C 1.018 177.324 176.300 0.010 0.000 1.174 195 D CA 0.270 54.265 54.000 -0.008 0.000 0.829 195 D CB -0.704 40.115 40.800 0.032 0.000 0.993 195 D HN 0.872 nan 8.370 nan 0.000 0.497 196 H N -0.030 119.086 119.070 0.077 0.000 2.757 196 H HA 0.269 4.825 4.556 -0.001 0.000 0.370 196 H C 0.079 175.471 175.328 0.106 0.000 1.172 196 H CA -0.134 55.985 56.048 0.119 0.000 1.426 196 H CB 0.577 30.375 29.762 0.059 0.000 1.438 196 H HN 0.114 nan 8.280 nan 0.000 0.612 197 D N 0.766 121.307 120.400 0.235 0.000 2.511 197 D HA -0.008 4.632 4.640 -0.001 0.000 0.276 197 D C 1.395 177.778 176.300 0.138 0.000 1.220 197 D CA -0.827 53.283 54.000 0.184 0.000 1.077 197 D CB 0.646 41.589 40.800 0.237 0.000 1.126 197 D HN 0.443 nan 8.370 nan 0.000 0.583 198 L N -0.471 120.737 121.223 -0.024 0.000 2.017 198 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 198 L C 2.145 179.027 176.870 0.019 0.000 1.073 198 L CA 1.804 56.529 54.840 -0.193 0.000 0.745 198 L CB -0.603 41.049 42.059 -0.679 0.000 0.894 198 L HN 0.486 nan 8.230 nan 0.000 0.432 199 E N -1.645 118.612 120.200 0.096 0.000 2.150 199 E HA -0.258 4.092 4.350 -0.001 0.000 0.193 199 E C 1.990 178.713 176.600 0.205 0.000 0.985 199 E CA 0.816 57.292 56.400 0.126 0.000 0.814 199 E CB -0.064 29.697 29.700 0.101 0.000 0.752 199 E HN 0.561 nan 8.360 nan 0.000 0.466 200 H N -0.002 119.126 119.070 0.096 0.000 2.423 200 H HA -0.090 4.466 4.556 -0.001 0.000 0.297 200 H C 2.162 177.556 175.328 0.110 0.000 1.075 200 H CA 1.154 57.260 56.048 0.097 0.000 1.342 200 H CB -0.526 29.295 29.762 0.099 0.000 1.395 200 H HN 0.225 nan 8.280 nan 0.000 0.530 201 C N 0.303 119.712 119.300 0.182 0.000 2.467 201 C HA 0.001 4.461 4.460 -0.001 0.000 0.279 201 C C 2.750 177.798 174.990 0.097 0.000 1.347 201 C CA 1.138 60.194 59.018 0.064 0.000 1.748 201 C CB -0.963 26.846 27.740 0.117 0.000 1.977 201 C HN 0.718 nan 8.230 nan 0.000 0.501 202 Q N -1.157 118.724 119.800 0.135 0.000 2.084 202 Q HA -0.244 4.096 4.340 -0.001 0.000 0.202 202 Q C 2.069 178.165 176.000 0.161 0.000 0.978 202 Q CA 2.129 58.008 55.803 0.126 0.000 0.844 202 Q CB -0.530 28.280 28.738 0.119 0.000 0.898 202 Q HN 0.846 nan 8.270 nan 0.000 0.426 203 Y N 0.280 120.634 120.300 0.089 0.000 2.109 203 Y HA -0.207 4.342 4.550 -0.001 0.000 0.285 203 Y C 2.048 177.994 175.900 0.076 0.000 1.131 203 Y CA 1.750 59.904 58.100 0.089 0.000 1.121 203 Y CB -0.438 38.092 38.460 0.115 0.000 0.987 203 Y HN -0.050 nan 8.280 nan 0.000 0.495 204 V N -0.099 119.936 119.914 0.203 0.000 2.332 204 V HA -0.351 3.768 4.120 -0.001 0.000 0.248 204 V C 2.258 178.332 176.094 -0.034 0.000 1.055 204 V CA 2.460 64.776 62.300 0.026 0.000 1.038 204 V CB -1.192 30.634 31.823 0.006 0.000 0.651 204 V HN 0.532 nan 8.190 nan 0.000 0.450 205 T N -0.232 114.327 114.554 0.008 0.000 2.708 205 T HA -0.218 4.131 4.350 -0.001 0.000 0.266 205 T C 1.774 176.474 174.700 -0.001 0.000 1.037 205 T CA 1.775 63.883 62.100 0.013 0.000 1.146 205 T CB -0.292 68.603 68.868 0.046 0.000 0.865 205 T HN 0.633 nan 8.240 nan 0.000 0.435 206 E N 1.274 121.466 120.200 -0.013 0.000 2.085 206 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 206 E C 2.201 178.750 176.600 -0.085 0.000 0.994 206 E CA 1.347 57.726 56.400 -0.035 0.000 0.801 206 E CB -0.206 29.474 29.700 -0.033 0.000 0.743 206 E HN 0.640 nan 8.360 nan 0.000 0.453 207 K N 0.669 120.961 120.400 -0.179 0.000 2.217 207 K HA -0.046 4.274 4.320 -0.001 0.000 0.202 207 K C 1.917 178.472 176.600 -0.074 0.000 1.051 207 K CA 1.056 57.243 56.287 -0.166 0.000 0.952 207 K CB 0.002 32.346 32.500 -0.260 0.000 0.736 207 K HN -0.058 nan 8.250 nan 0.000 0.453 208 V N 1.835 121.718 119.914 -0.053 0.000 2.379 208 V HA -0.142 3.977 4.120 -0.001 0.000 0.245 208 V C 2.209 178.299 176.094 -0.006 0.000 1.044 208 V CA 1.312 63.596 62.300 -0.025 0.000 1.036 208 V CB -0.422 31.389 31.823 -0.019 0.000 0.664 208 V HN 0.267 nan 8.190 nan 0.000 0.453 209 L N 0.334 121.572 121.223 0.024 0.000 2.291 209 L HA 0.014 4.354 4.340 -0.001 0.000 0.214 209 L C 2.596 179.548 176.870 0.137 0.000 1.120 209 L CA 1.131 56.027 54.840 0.093 0.000 0.799 209 L CB -0.794 41.365 42.059 0.166 0.000 0.925 209 L HN 0.295 nan 8.230 nan 0.000 0.446 210 A N 0.434 123.294 122.820 0.066 0.000 1.897 210 A HA -0.056 4.264 4.320 -0.001 0.000 0.215 210 A C 2.621 180.243 177.584 0.063 0.000 1.181 210 A CA 1.405 53.486 52.037 0.074 0.000 0.620 210 A CB -0.635 18.380 19.000 0.026 0.000 0.821 210 A HN 0.338 nan 8.150 nan 0.000 0.443 211 A N -0.364 122.469 122.820 0.022 0.000 1.892 211 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 211 A C 2.263 179.836 177.584 -0.019 0.000 1.188 211 A CA 2.076 54.115 52.037 0.003 0.000 0.631 211 A CB -1.103 17.890 19.000 -0.012 0.000 0.822 211 A HN 0.399 nan 8.150 nan 0.000 0.447 212 V N -1.674 118.200 119.914 -0.067 0.000 2.261 212 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 212 V C 2.401 178.356 176.094 -0.232 0.000 1.047 212 V CA 2.150 64.332 62.300 -0.197 0.000 1.015 212 V CB -0.976 30.657 31.823 -0.317 0.000 0.642 212 V HN 0.667 nan 8.190 nan 0.000 0.446 213 Y N 0.147 120.438 120.300 -0.015 0.000 2.293 213 Y HA -0.148 4.401 4.550 -0.001 0.000 0.291 213 Y C 2.419 178.319 175.900 0.000 0.000 1.137 213 Y CA 1.629 59.723 58.100 -0.009 0.000 1.202 213 Y CB -0.271 38.188 38.460 -0.003 0.000 0.990 213 Y HN 0.147 nan 8.280 nan 0.000 0.537 214 K N 0.788 121.260 120.400 0.121 0.000 2.228 214 K HA 0.031 4.350 4.320 -0.001 0.000 0.202 214 K C 1.986 178.622 176.600 0.060 0.000 1.051 214 K CA 1.118 57.455 56.287 0.082 0.000 0.960 214 K CB -0.504 32.031 32.500 0.058 0.000 0.743 214 K HN 0.167 nan 8.250 nan 0.000 0.458 215 A N 0.415 123.254 122.820 0.032 0.000 1.930 215 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 215 A C 1.838 179.481 177.584 0.098 0.000 1.175 215 A CA 1.027 53.104 52.037 0.065 0.000 0.627 215 A CB -0.445 18.548 19.000 -0.012 0.000 0.815 215 A HN 0.249 nan 8.150 nan 0.000 0.443 216 L N 0.259 121.472 121.223 -0.016 0.000 2.191 216 L HA -0.137 4.203 4.340 -0.001 0.000 0.212 216 L C 2.038 178.929 176.870 0.035 0.000 1.103 216 L CA 2.091 56.904 54.840 -0.046 0.000 0.769 216 L CB -1.359 40.667 42.059 -0.055 0.000 0.908 216 L HN 0.690 nan 8.230 nan 0.000 0.438 217 N N -1.145 117.594 118.700 0.064 0.000 2.251 217 N HA -0.139 4.601 4.740 -0.001 0.000 0.181 217 N C 1.401 176.908 175.510 -0.004 0.000 1.019 217 N CA 0.684 53.773 53.050 0.064 0.000 0.862 217 N CB 0.164 38.702 38.487 0.086 0.000 0.992 217 N HN 0.129 nan 8.380 nan 0.000 0.429 218 D N -0.065 120.328 120.400 -0.012 0.000 2.190 218 D HA -0.174 4.466 4.640 -0.001 0.000 0.200 218 D C 0.667 176.714 176.300 -0.422 0.000 0.992 218 D CA 1.172 55.093 54.000 -0.132 0.000 0.854 218 D CB -0.340 40.417 40.800 -0.072 0.000 0.936 218 D HN 0.577 nan 8.370 nan 0.000 0.462 219 H N -0.937 117.913 119.070 -0.368 0.000 2.519 219 H HA 0.109 4.665 4.556 0.000 0.000 0.289 219 H C -0.113 174.972 175.328 -0.406 0.000 1.040 219 H CA 0.018 55.804 56.048 -0.436 0.000 1.165 219 H CB -0.105 29.528 29.762 -0.214 0.000 1.462 219 H HN 0.408 nan 8.280 nan 0.000 0.555 220 H N -1.541 117.572 119.070 0.072 0.000 2.820 220 H HA -0.130 4.426 4.556 -0.001 0.000 0.295 220 H C -0.083 175.283 175.328 0.064 0.000 1.187 220 H CA 0.029 56.102 56.048 0.042 0.000 1.144 220 H CB -2.131 27.631 29.762 0.000 0.000 1.354 220 H HN 0.065 nan 8.280 nan 0.000 0.395 221 V N 0.739 120.722 119.914 0.115 0.000 2.686 221 V HA -0.044 4.076 4.120 -0.001 0.000 0.295 221 V C 0.597 176.780 176.094 0.148 0.000 1.055 221 V CA -0.111 62.245 62.300 0.093 0.000 1.050 221 V CB 0.393 32.220 31.823 0.006 0.000 0.984 221 V HN 0.342 nan 8.190 nan 0.000 0.482 222 Y N 5.216 125.531 120.300 0.025 0.000 2.636 222 Y HA 0.313 4.862 4.550 -0.001 0.000 0.341 222 Y C 0.993 176.912 175.900 0.031 0.000 1.169 222 Y CA -0.657 57.460 58.100 0.028 0.000 1.498 222 Y CB -0.062 38.408 38.460 0.016 0.000 1.362 222 Y HN 0.618 nan 8.280 nan 0.000 0.494 223 L N 2.640 123.744 121.223 -0.198 0.000 2.189 223 L HA -0.249 4.091 4.340 -0.001 0.000 0.214 223 L C 1.419 178.113 176.870 -0.294 0.000 1.097 223 L CA 1.492 56.238 54.840 -0.156 0.000 0.764 223 L CB -0.155 41.878 42.059 -0.045 0.000 0.900 223 L HN 0.492 nan 8.230 nan 0.000 0.436 224 E N -0.041 119.743 120.200 -0.694 0.000 2.418 224 E HA -0.034 4.316 4.350 -0.001 0.000 0.197 224 E C 1.410 177.790 176.600 -0.367 0.000 1.026 224 E CA 0.802 56.862 56.400 -0.566 0.000 0.862 224 E CB -0.096 29.235 29.700 -0.615 0.000 0.799 224 E HN 0.366 nan 8.360 nan 0.000 0.518 225 G N -0.087 108.495 108.800 -0.362 0.000 4.757 225 G HA2 0.300 4.259 3.960 -0.001 0.000 0.303 225 G HA3 0.300 4.259 3.960 -0.001 0.000 0.303 225 G C -0.273 174.614 174.900 -0.020 0.000 1.318 225 G CA -0.225 44.861 45.100 -0.022 0.000 1.020 225 G HN 0.015 nan 8.290 nan 0.000 0.589 226 T N -0.309 114.207 114.554 -0.063 0.000 2.778 226 T HA 0.756 5.106 4.350 -0.001 0.000 0.293 226 T C -1.373 173.304 174.700 -0.039 0.000 1.144 226 T CA -0.352 61.728 62.100 -0.034 0.000 1.010 226 T CB 1.661 70.512 68.868 -0.028 0.000 1.325 226 T HN 0.078 nan 8.240 nan 0.000 0.515 227 L N 1.248 122.450 121.223 -0.035 0.000 2.465 227 L HA 0.704 5.044 4.340 -0.001 0.000 0.257 227 L C -1.703 175.133 176.870 -0.056 0.000 0.988 227 L CA -0.993 53.801 54.840 -0.077 0.000 0.827 227 L CB 2.339 44.316 42.059 -0.137 0.000 1.397 227 L HN 0.443 nan 8.230 nan 0.000 0.410 228 L N 2.058 123.216 121.223 -0.109 0.000 2.346 228 L HA 0.525 4.865 4.340 -0.001 0.000 0.276 228 L C -0.712 176.062 176.870 -0.161 0.000 1.006 228 L CA -0.157 54.626 54.840 -0.095 0.000 0.817 228 L CB 1.560 43.569 42.059 -0.083 0.000 1.272 228 L HN 0.524 nan 8.230 nan 0.000 0.421 229 K N 6.785 127.128 120.400 -0.094 0.000 2.484 229 K HA 0.539 4.859 4.320 -0.001 0.000 0.226 229 K C -2.654 173.915 176.600 -0.053 0.000 1.031 229 K CA -1.701 54.531 56.287 -0.091 0.000 1.026 229 K CB 0.846 33.343 32.500 -0.005 0.000 1.412 229 K HN 0.385 nan 8.250 nan 0.000 0.492 230 P HA 0.163 nan 4.420 nan 0.000 0.281 230 P C -1.285 176.090 177.300 0.126 0.000 1.281 230 P CA -0.679 62.415 63.100 -0.009 0.000 0.811 230 P CB 0.575 32.244 31.700 -0.052 0.000 1.154 231 N N -0.545 118.241 118.700 0.143 0.000 2.530 231 N HA 0.314 5.053 4.740 -0.001 0.000 0.277 231 N C 0.382 176.053 175.510 0.269 0.000 1.168 231 N CA -0.599 52.559 53.050 0.181 0.000 0.979 231 N CB 0.097 38.650 38.487 0.110 0.000 1.141 231 N HN 0.280 nan 8.380 nan 0.000 0.459 232 M N 0.523 120.261 119.600 0.229 0.000 2.113 232 M HA 0.097 4.577 4.480 -0.001 0.000 0.288 232 M C -0.295 176.035 176.300 0.050 0.000 1.225 232 M CA -0.502 54.836 55.300 0.063 0.000 1.148 232 M CB 0.593 33.101 32.600 -0.154 0.000 1.388 232 M HN 0.308 nan 8.290 nan 0.000 0.469 233 V N 1.361 121.276 119.914 0.003 0.000 2.334 233 V HA 0.341 4.461 4.120 -0.001 0.000 0.267 233 V C 0.245 176.304 176.094 -0.059 0.000 1.040 233 V CA -0.205 62.097 62.300 0.003 0.000 0.866 233 V CB 0.457 32.291 31.823 0.019 0.000 1.019 233 V HN 0.999 nan 8.190 nan 0.000 0.468 234 T N 2.501 117.019 114.554 -0.061 0.000 2.838 234 T HA 0.858 5.208 4.350 -0.001 0.000 0.292 234 T C -0.055 174.560 174.700 -0.140 0.000 1.113 234 T CA -0.313 61.699 62.100 -0.148 0.000 1.008 234 T CB 1.968 70.775 68.868 -0.103 0.000 1.259 234 T HN 0.780 nan 8.240 nan 0.000 0.520 235 A N 0.310 122.972 122.820 -0.264 0.000 2.346 235 A HA 0.707 5.026 4.320 -0.001 0.000 0.252 235 A C 1.039 178.482 177.584 -0.235 0.000 1.089 235 A CA -0.077 51.846 52.037 -0.190 0.000 0.797 235 A CB -0.661 18.295 19.000 -0.074 0.000 1.047 235 A HN 1.370 nan 8.150 nan 0.000 0.494 236 G N -1.366 107.076 108.800 -0.596 0.000 2.684 236 G HA2 0.244 4.203 3.960 -0.001 0.000 0.255 236 G HA3 0.244 4.203 3.960 -0.001 0.000 0.255 236 G C 0.878 175.638 174.900 -0.233 0.000 1.219 236 G CA 0.100 44.847 45.100 -0.589 0.000 0.901 236 G HN 0.894 nan 8.290 nan 0.000 0.548 237 H N 0.487 119.464 119.070 -0.155 0.000 2.353 237 H HA -0.172 4.384 4.556 -0.001 0.000 0.298 237 H C 2.444 177.733 175.328 -0.065 0.000 1.103 237 H CA 1.862 57.864 56.048 -0.077 0.000 1.293 237 H CB 0.147 29.882 29.762 -0.044 0.000 1.372 237 H HN 0.422 nan 8.280 nan 0.000 0.501 238 A N 0.031 122.866 122.820 0.026 0.000 2.345 238 A HA 0.110 4.430 4.320 -0.001 0.000 0.225 238 A C 0.937 178.508 177.584 -0.023 0.000 1.243 238 A CA -0.156 51.891 52.037 0.017 0.000 0.875 238 A CB -0.510 18.515 19.000 0.042 0.000 0.929 238 A HN 0.401 nan 8.150 nan 0.000 0.502 239 C N 1.342 120.605 119.300 -0.061 0.000 2.637 239 C HA 0.360 4.820 4.460 -0.001 0.000 0.418 239 C C 2.241 177.225 174.990 -0.010 0.000 1.319 239 C CA 0.732 59.736 59.018 -0.024 0.000 1.949 239 C CB -0.122 27.616 27.740 -0.003 0.000 2.639 239 C HN 0.662 nan 8.230 nan 0.000 0.594 240 T N 2.291 116.844 114.554 -0.003 0.000 3.054 240 T HA 0.081 4.431 4.350 -0.001 0.000 0.259 240 T C 0.656 175.332 174.700 -0.040 0.000 1.092 240 T CA 0.322 62.410 62.100 -0.021 0.000 1.121 240 T CB -0.123 68.732 68.868 -0.021 0.000 0.912 240 T HN 0.826 nan 8.240 nan 0.000 0.489 241 K N 1.597 121.971 120.400 -0.045 0.000 2.336 241 K HA 0.272 4.592 4.320 -0.001 0.000 0.262 241 K C -0.181 176.285 176.600 -0.225 0.000 0.992 241 K CA -0.205 55.975 56.287 -0.179 0.000 0.927 241 K CB 0.316 32.652 32.500 -0.273 0.000 0.956 241 K HN 0.008 nan 8.250 nan 0.000 0.495 242 K N 1.913 122.102 120.400 -0.352 0.000 2.270 242 K HA 0.377 4.697 4.320 -0.001 0.000 0.255 242 K C -1.013 175.395 176.600 -0.321 0.000 0.936 242 K CA -0.565 55.593 56.287 -0.215 0.000 0.809 242 K CB 1.158 33.574 32.500 -0.141 0.000 1.131 242 K HN 0.451 nan 8.250 nan 0.000 0.427 243 Y N -0.756 119.523 120.300 -0.036 0.000 2.633 243 Y HA 0.405 4.954 4.550 -0.001 0.000 0.339 243 Y C 0.651 176.533 175.900 -0.030 0.000 1.045 243 Y CA -0.735 57.349 58.100 -0.027 0.000 1.098 243 Y CB 2.258 40.704 38.460 -0.023 0.000 1.296 243 Y HN 0.333 nan 8.280 nan 0.000 0.494 244 T N 2.081 116.732 114.554 0.163 0.000 2.925 244 T HA 0.254 4.604 4.350 -0.001 0.000 0.285 244 T C -1.998 172.736 174.700 0.056 0.000 1.021 244 T CA -1.907 60.236 62.100 0.072 0.000 1.042 244 T CB 1.505 70.408 68.868 0.059 0.000 1.037 244 T HN 0.344 nan 8.240 nan 0.000 0.481 245 P HA -0.103 nan 4.420 nan 0.000 0.216 245 P C 0.886 178.191 177.300 0.009 0.000 1.150 245 P CA 1.119 64.224 63.100 0.008 0.000 0.843 245 P CB 0.286 31.994 31.700 0.014 0.000 0.787 246 E N -1.032 119.182 120.200 0.023 0.000 2.152 246 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 246 E C 2.095 178.713 176.600 0.030 0.000 0.983 246 E CA 1.019 57.434 56.400 0.024 0.000 0.818 246 E CB -0.582 29.134 29.700 0.027 0.000 0.758 246 E HN 0.395 nan 8.360 nan 0.000 0.467 247 Q N -0.201 119.630 119.800 0.051 0.000 2.096 247 Q HA -0.024 4.316 4.340 -0.001 0.000 0.197 247 Q C 2.169 178.179 176.000 0.017 0.000 0.964 247 Q CA 1.014 56.858 55.803 0.068 0.000 0.838 247 Q CB 0.052 28.888 28.738 0.163 0.000 0.906 247 Q HN 0.125 nan 8.270 nan 0.000 0.444 248 V N 1.227 121.134 119.914 -0.011 0.000 2.469 248 V HA -0.298 3.821 4.120 -0.001 0.000 0.251 248 V C 2.180 178.241 176.094 -0.056 0.000 1.064 248 V CA 1.835 64.097 62.300 -0.063 0.000 1.066 248 V CB -0.860 30.918 31.823 -0.075 0.000 0.667 248 V HN 0.397 nan 8.190 nan 0.000 0.461 249 A N -1.071 121.729 122.820 -0.034 0.000 1.872 249 A HA -0.190 4.129 4.320 -0.001 0.000 0.214 249 A C 2.152 179.735 177.584 -0.001 0.000 1.187 249 A CA 1.971 53.990 52.037 -0.030 0.000 0.614 249 A CB -0.495 18.495 19.000 -0.018 0.000 0.826 249 A HN 0.394 nan 8.150 nan 0.000 0.442 250 M N 0.117 119.723 119.600 0.011 0.000 2.099 250 M HA 0.030 4.510 4.480 -0.001 0.000 0.262 250 M C 2.297 178.618 176.300 0.034 0.000 1.067 250 M CA 1.386 56.698 55.300 0.021 0.000 1.124 250 M CB -1.226 31.391 32.600 0.028 0.000 1.353 250 M HN 0.417 nan 8.290 nan 0.000 0.410 251 A N -1.587 121.249 122.820 0.025 0.000 1.930 251 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 251 A C 2.251 179.870 177.584 0.057 0.000 1.175 251 A CA 2.245 54.305 52.037 0.038 0.000 0.627 251 A CB -1.166 17.835 19.000 0.002 0.000 0.815 251 A HN 0.504 nan 8.150 nan 0.000 0.443 252 T N -0.678 113.899 114.554 0.039 0.000 2.812 252 T HA -0.059 4.290 4.350 -0.001 0.000 0.264 252 T C 1.778 176.553 174.700 0.125 0.000 1.042 252 T CA 1.613 63.753 62.100 0.068 0.000 1.140 252 T CB -0.196 68.663 68.868 -0.016 0.000 0.870 252 T HN 0.143 nan 8.240 nan 0.000 0.445 253 V N 1.337 121.318 119.914 0.110 0.000 2.951 253 V HA -0.067 4.053 4.120 -0.001 0.000 0.255 253 V C 2.615 178.811 176.094 0.169 0.000 1.088 253 V CA 1.308 63.706 62.300 0.165 0.000 1.109 253 V CB -0.842 31.060 31.823 0.132 0.000 0.724 253 V HN 0.492 nan 8.190 nan 0.000 0.471 254 T N 0.969 115.602 114.554 0.133 0.000 2.643 254 T HA -0.184 4.166 4.350 -0.001 0.000 0.264 254 T C 2.177 177.097 174.700 0.366 0.000 1.045 254 T CA 1.876 64.115 62.100 0.233 0.000 1.155 254 T CB -0.422 68.538 68.868 0.154 0.000 0.863 254 T HN 0.557 nan 8.240 nan 0.000 0.420 255 A N 1.341 124.293 122.820 0.220 0.000 1.873 255 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 255 A C 2.343 180.040 177.584 0.187 0.000 1.193 255 A CA 1.549 53.688 52.037 0.169 0.000 0.629 255 A CB -1.027 18.047 19.000 0.124 0.000 0.826 255 A HN 0.498 nan 8.150 nan 0.000 0.447 256 L N -0.514 120.835 121.223 0.210 0.000 2.083 256 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 256 L C 2.682 179.781 176.870 0.382 0.000 1.083 256 L CA 1.543 56.491 54.840 0.179 0.000 0.752 256 L CB -0.872 41.187 42.059 -0.000 0.000 0.899 256 L HN 0.778 nan 8.230 nan 0.000 0.433 257 H N 0.256 119.526 119.070 0.334 0.000 2.547 257 H HA 0.022 4.578 4.556 -0.000 0.000 0.272 257 H C 1.698 177.121 175.328 0.158 0.000 0.989 257 H CA 0.484 56.729 56.048 0.328 0.000 1.214 257 H CB -0.054 29.849 29.762 0.236 0.000 1.389 257 H HN 0.302 nan 8.280 nan 0.000 0.577 258 R N 0.632 121.106 120.500 -0.043 0.000 2.297 258 R HA 0.057 4.396 4.340 -0.001 0.000 0.197 258 R C 1.003 177.281 176.300 -0.036 0.000 0.943 258 R CA 1.131 57.144 56.100 -0.146 0.000 1.038 258 R CB 0.331 30.593 30.300 -0.063 0.000 0.957 258 R HN 0.583 nan 8.270 nan 0.000 0.484 259 T N -4.216 110.356 114.554 0.030 0.000 3.029 259 T HA 0.157 4.507 4.350 -0.001 0.000 0.256 259 T C 0.501 175.170 174.700 -0.053 0.000 0.914 259 T CA -0.230 61.883 62.100 0.021 0.000 0.880 259 T CB 0.282 69.190 68.868 0.067 0.000 1.246 259 T HN -0.165 nan 8.240 nan 0.000 0.523 260 V N 4.585 124.483 119.914 -0.027 0.000 2.353 260 V HA 0.396 4.515 4.120 -0.001 0.000 0.264 260 V C -2.451 173.605 176.094 -0.063 0.000 1.049 260 V CA -2.109 60.044 62.300 -0.245 0.000 0.896 260 V CB 0.481 32.212 31.823 -0.153 0.000 1.025 260 V HN 0.240 nan 8.190 nan 0.000 0.475 261 P HA -0.042 nan 4.420 nan 0.000 0.264 261 P C 0.796 178.125 177.300 0.048 0.000 1.173 261 P CA 0.391 63.419 63.100 -0.121 0.000 0.761 261 P CB 0.702 32.291 31.700 -0.185 0.000 0.794 262 A N 3.697 126.483 122.820 -0.058 0.000 1.969 262 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 262 A C 2.135 179.690 177.584 -0.048 0.000 1.169 262 A CA 1.782 53.718 52.037 -0.170 0.000 0.635 262 A CB -1.440 17.413 19.000 -0.245 0.000 0.810 262 A HN 0.563 nan 8.150 nan 0.000 0.445 263 A N -0.416 122.376 122.820 -0.046 0.000 2.024 263 A HA 0.116 4.435 4.320 -0.001 0.000 0.220 263 A C 1.135 178.707 177.584 -0.021 0.000 1.164 263 A CA 1.029 53.036 52.037 -0.050 0.000 0.643 263 A CB -0.835 18.119 19.000 -0.077 0.000 0.806 263 A HN 0.322 nan 8.150 nan 0.000 0.451 264 V N 1.882 121.825 119.914 0.048 0.000 2.529 264 V HA 0.049 4.168 4.120 -0.001 0.000 0.292 264 V C -0.848 175.306 176.094 0.100 0.000 1.028 264 V CA -0.436 61.892 62.300 0.047 0.000 1.074 264 V CB 1.153 33.003 31.823 0.044 0.000 0.958 264 V HN 0.377 nan 8.190 nan 0.000 0.481 265 P HA 0.104 nan 4.420 nan 0.000 0.221 265 P C 0.528 177.859 177.300 0.052 0.000 1.155 265 P CA 0.925 64.048 63.100 0.039 0.000 0.812 265 P CB 0.537 32.226 31.700 -0.019 0.000 0.801 266 G N -0.250 108.534 108.800 -0.026 0.000 2.746 266 G HA2 0.594 4.554 3.960 -0.001 0.000 0.297 266 G HA3 0.594 4.554 3.960 -0.001 0.000 0.297 266 G C -1.588 173.185 174.900 -0.211 0.000 1.426 266 G CA -0.490 44.562 45.100 -0.080 0.000 0.989 266 G HN -0.058 nan 8.290 nan 0.000 0.520 267 I N 1.002 121.389 120.570 -0.305 0.000 2.390 267 I HA 0.266 4.436 4.170 -0.001 0.000 0.283 267 I C -0.462 175.338 176.117 -0.528 0.000 1.016 267 I CA -0.581 60.408 61.300 -0.519 0.000 1.151 267 I CB 1.756 39.278 38.000 -0.798 0.000 1.293 267 I HN 0.248 nan 8.210 nan 0.000 0.458 268 C N 6.618 125.660 119.300 -0.431 0.000 2.203 268 C HA 0.418 4.878 4.460 -0.001 0.000 0.325 268 C C 0.434 175.276 174.990 -0.246 0.000 1.156 268 C CA -0.686 58.141 59.018 -0.318 0.000 1.597 268 C CB -1.038 26.539 27.740 -0.272 0.000 2.148 268 C HN 0.487 nan 8.230 nan 0.000 0.472 269 F N 3.611 123.556 119.950 -0.008 0.000 2.595 269 F HA 0.252 4.778 4.527 -0.001 0.000 0.359 269 F C 0.784 176.718 175.800 0.223 0.000 1.147 269 F CA -0.438 57.622 58.000 0.101 0.000 1.341 269 F CB 0.428 39.524 39.000 0.159 0.000 1.104 269 F HN 0.429 nan 8.300 nan 0.000 0.603 270 L N 0.291 121.745 121.223 0.385 0.000 2.357 270 L HA 0.508 4.847 4.340 -0.001 0.000 0.273 270 L C 0.664 177.711 176.870 0.296 0.000 1.080 270 L CA -0.227 54.797 54.840 0.306 0.000 0.803 270 L CB 1.153 43.317 42.059 0.176 0.000 1.174 270 L HN 0.596 nan 8.230 nan 0.000 0.443 271 S N -0.288 115.498 115.700 0.143 0.000 2.497 271 S HA 0.240 4.710 4.470 -0.001 0.000 0.218 271 S C 1.331 175.884 174.600 -0.078 0.000 1.023 271 S CA 0.134 58.250 58.200 -0.141 0.000 0.913 271 S CB -0.658 62.133 63.200 -0.682 0.000 0.800 271 S HN 1.581 nan 8.310 nan 0.000 0.505 272 G N 1.543 110.336 108.800 -0.011 0.000 2.424 272 G HA2 0.117 4.076 3.960 -0.001 0.000 0.294 272 G HA3 0.117 4.076 3.960 -0.001 0.000 0.294 272 G C 1.075 175.976 174.900 0.002 0.000 0.939 272 G CA 0.368 45.473 45.100 0.009 0.000 1.143 272 G HN 1.812 nan 8.290 nan 0.000 0.507 273 G N -1.364 107.422 108.800 -0.024 0.000 2.175 273 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.244 273 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.244 273 G C 0.561 175.466 174.900 0.008 0.000 0.982 273 G CA 0.706 45.811 45.100 0.007 0.000 0.641 273 G HN 0.897 nan 8.290 nan 0.000 0.527 274 M N 2.079 121.651 119.600 -0.047 0.000 2.241 274 M HA 0.434 4.913 4.480 -0.001 0.000 0.335 274 M C 1.565 177.817 176.300 -0.080 0.000 1.122 274 M CA 0.285 55.544 55.300 -0.068 0.000 1.164 274 M CB 0.856 33.387 32.600 -0.114 0.000 1.459 274 M HN 0.523 nan 8.290 nan 0.000 0.461 275 S N 1.192 116.856 115.700 -0.060 0.000 2.592 275 S HA 0.009 4.479 4.470 -0.001 0.000 0.256 275 S C 0.701 175.248 174.600 -0.087 0.000 1.369 275 S CA -0.355 57.813 58.200 -0.053 0.000 0.984 275 S CB 0.341 63.523 63.200 -0.030 0.000 0.919 275 S HN 0.754 nan 8.310 nan 0.000 0.576 276 E N 0.240 120.400 120.200 -0.067 0.000 2.106 276 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 276 E C 1.812 178.356 176.600 -0.093 0.000 0.984 276 E CA 1.034 57.381 56.400 -0.089 0.000 0.806 276 E CB -0.150 29.526 29.700 -0.041 0.000 0.750 276 E HN 0.697 nan 8.360 nan 0.000 0.458 277 E N 1.354 121.530 120.200 -0.041 0.000 2.047 277 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 277 E C 1.541 178.126 176.600 -0.024 0.000 0.987 277 E CA 1.256 57.657 56.400 0.001 0.000 0.799 277 E CB -0.126 29.635 29.700 0.102 0.000 0.752 277 E HN 0.121 nan 8.360 nan 0.000 0.449 278 D N -0.073 120.303 120.400 -0.038 0.000 2.084 278 D HA -0.104 4.536 4.640 -0.001 0.000 0.196 278 D C 1.794 178.042 176.300 -0.087 0.000 0.985 278 D CA 1.685 55.654 54.000 -0.051 0.000 0.826 278 D CB -0.671 40.095 40.800 -0.057 0.000 0.978 278 D HN 0.241 nan 8.370 nan 0.000 0.456 279 A N 0.520 123.252 122.820 -0.147 0.000 1.894 279 A HA -0.303 4.017 4.320 -0.001 0.000 0.220 279 A C 2.389 179.945 177.584 -0.047 0.000 1.237 279 A CA 3.142 55.056 52.037 -0.206 0.000 0.660 279 A CB -1.309 17.329 19.000 -0.602 0.000 0.835 279 A HN 0.311 nan 8.150 nan 0.000 0.461 280 T N 0.288 114.782 114.554 -0.099 0.000 2.684 280 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 280 T C 1.837 176.437 174.700 -0.167 0.000 1.036 280 T CA 1.593 63.570 62.100 -0.204 0.000 1.148 280 T CB -0.443 68.131 68.868 -0.492 0.000 0.863 280 T HN 0.363 nan 8.240 nan 0.000 0.436 281 L N 1.061 122.230 121.223 -0.089 0.000 2.083 281 L HA -0.096 4.243 4.340 -0.001 0.000 0.209 281 L C 2.560 179.433 176.870 0.004 0.000 1.083 281 L CA 0.891 55.745 54.840 0.022 0.000 0.752 281 L CB -0.584 41.511 42.059 0.060 0.000 0.899 281 L HN 0.213 nan 8.230 nan 0.000 0.433 282 N N 0.145 118.825 118.700 -0.033 0.000 2.135 282 N HA -0.158 4.582 4.740 -0.001 0.000 0.186 282 N C 1.809 177.272 175.510 -0.079 0.000 1.027 282 N CA 1.077 54.089 53.050 -0.063 0.000 0.849 282 N CB -0.411 38.014 38.487 -0.104 0.000 1.002 282 N HN 0.184 nan 8.380 nan 0.000 0.425 283 L N 1.469 122.665 121.223 -0.045 0.000 2.131 283 L HA -0.082 4.258 4.340 -0.001 0.000 0.210 283 L C 1.703 178.585 176.870 0.020 0.000 1.092 283 L CA 1.649 56.473 54.840 -0.026 0.000 0.759 283 L CB -0.829 41.283 42.059 0.089 0.000 0.903 283 L HN 0.092 nan 8.230 nan 0.000 0.435 284 N N -0.424 118.296 118.700 0.035 0.000 2.135 284 N HA -0.114 4.626 4.740 -0.001 0.000 0.186 284 N C 1.873 177.422 175.510 0.066 0.000 1.027 284 N CA 1.394 54.491 53.050 0.078 0.000 0.849 284 N CB -0.222 38.349 38.487 0.140 0.000 1.002 284 N HN 0.470 nan 8.380 nan 0.000 0.425 285 A N 0.519 123.364 122.820 0.042 0.000 1.933 285 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 285 A C 2.215 179.813 177.584 0.024 0.000 1.175 285 A CA 1.050 53.106 52.037 0.031 0.000 0.628 285 A CB -0.814 18.191 19.000 0.009 0.000 0.814 285 A HN 0.407 nan 8.150 nan 0.000 0.444 286 I N -0.147 120.423 120.570 0.000 0.000 2.163 286 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 286 I C 1.877 178.043 176.117 0.082 0.000 1.085 286 I CA 1.770 63.079 61.300 0.014 0.000 1.347 286 I CB -0.417 37.543 38.000 -0.066 0.000 1.044 286 I HN 0.360 nan 8.210 nan 0.000 0.408 287 N N 0.087 118.840 118.700 0.089 0.000 2.550 287 N HA -0.000 4.739 4.740 -0.001 0.000 0.186 287 N C 1.081 176.639 175.510 0.080 0.000 1.110 287 N CA 0.591 53.704 53.050 0.104 0.000 0.912 287 N CB 0.149 38.702 38.487 0.110 0.000 0.968 287 N HN 0.321 nan 8.380 nan 0.000 0.448 288 L N -0.863 120.398 121.223 0.064 0.000 2.766 288 L HA 0.305 4.644 4.340 -0.001 0.000 0.242 288 L C 0.209 177.103 176.870 0.040 0.000 1.136 288 L CA -0.522 54.348 54.840 0.050 0.000 0.933 288 L CB 0.162 42.248 42.059 0.045 0.000 1.241 288 L HN 0.138 nan 8.230 nan 0.000 0.522 289 C N 3.687 123.013 119.300 0.043 0.000 2.634 289 C HA 0.171 4.631 4.460 -0.001 0.000 0.418 289 C C -1.425 173.575 174.990 0.016 0.000 1.373 289 C CA -0.951 58.083 59.018 0.027 0.000 1.756 289 C CB 0.091 27.849 27.740 0.029 0.000 2.589 289 C HN 0.152 nan 8.230 nan 0.000 0.602 290 P HA 0.266 nan 4.420 nan 0.000 0.225 290 P C -0.701 176.580 177.300 -0.032 0.000 1.813 290 P CA 0.084 63.180 63.100 -0.007 0.000 1.013 290 P CB -0.126 31.573 31.700 -0.002 0.000 1.961 291 L N 2.905 124.097 121.223 -0.053 0.000 2.409 291 L HA 0.629 4.969 4.340 -0.001 0.000 0.255 291 L C -2.569 174.242 176.870 -0.098 0.000 1.027 291 L CA -2.722 52.041 54.840 -0.128 0.000 0.834 291 L CB 2.056 43.980 42.059 -0.224 0.000 1.426 291 L HN -0.113 nan 8.230 nan 0.000 0.411 292 P HA 0.258 nan 4.420 nan 0.000 0.271 292 P C -1.341 175.859 177.300 -0.166 0.000 1.226 292 P CA 0.059 63.103 63.100 -0.093 0.000 0.765 292 P CB 0.174 31.860 31.700 -0.023 0.000 0.835 293 K N 4.844 125.110 120.400 -0.224 0.000 2.687 293 K HA 0.209 4.528 4.320 -0.001 0.000 0.197 293 K C -1.847 174.409 176.600 -0.572 0.000 1.049 293 K CA -1.215 54.890 56.287 -0.304 0.000 1.030 293 K CB 1.519 34.110 32.500 0.152 0.000 1.261 293 K HN 0.315 nan 8.250 nan 0.000 0.565 294 P HA -0.097 nan 4.420 nan 0.000 0.233 294 P C -0.541 176.486 177.300 -0.455 0.000 1.167 294 P CA 0.524 63.169 63.100 -0.758 0.000 0.770 294 P CB 0.158 31.336 31.700 -0.869 0.000 0.837 295 W N 0.246 121.531 121.300 -0.024 0.000 2.647 295 W HA 0.457 5.116 4.660 -0.001 0.000 0.353 295 W C -0.091 176.411 176.519 -0.028 0.000 1.080 295 W CA -1.536 55.785 57.345 -0.039 0.000 1.208 295 W CB 0.469 29.892 29.460 -0.061 0.000 1.396 295 W HN -0.405 nan 8.180 nan 0.000 0.573 296 K N 2.360 122.898 120.400 0.230 0.000 2.511 296 K HA 0.112 4.431 4.320 -0.001 0.000 0.280 296 K C -0.414 176.244 176.600 0.098 0.000 1.008 296 K CA 0.153 56.518 56.287 0.131 0.000 1.050 296 K CB 0.409 32.928 32.500 0.030 0.000 0.889 296 K HN 0.455 nan 8.250 nan 0.000 0.484 297 L N 1.983 123.282 121.223 0.127 0.000 2.301 297 L HA 0.231 4.571 4.340 -0.001 0.000 0.278 297 L C 0.498 177.462 176.870 0.157 0.000 1.022 297 L CA -0.340 54.583 54.840 0.138 0.000 0.854 297 L CB 1.402 43.626 42.059 0.274 0.000 1.226 297 L HN 0.618 nan 8.230 nan 0.000 0.429 298 S N 2.184 117.927 115.700 0.072 0.000 2.921 298 S HA 0.789 5.259 4.470 -0.001 0.000 0.315 298 S C -0.949 173.687 174.600 0.059 0.000 1.087 298 S CA -0.478 57.743 58.200 0.035 0.000 0.877 298 S CB 1.240 64.334 63.200 -0.178 0.000 1.340 298 S HN 0.304 nan 8.310 nan 0.000 0.622 299 F N 0.129 119.938 119.950 -0.234 0.000 2.561 299 F HA 0.838 5.364 4.527 -0.001 0.000 0.321 299 F C -0.110 175.493 175.800 -0.329 0.000 1.065 299 F CA -1.012 56.672 58.000 -0.527 0.000 0.934 299 F CB 1.644 39.861 39.000 -1.306 0.000 1.215 299 F HN 0.333 nan 8.300 nan 0.000 0.471 300 S N 2.187 117.831 115.700 -0.093 0.000 2.216 300 S HA 0.426 4.895 4.470 -0.001 0.000 0.156 300 S C -1.568 173.227 174.600 0.325 0.000 1.665 300 S CA -0.272 57.955 58.200 0.045 0.000 1.262 300 S CB -0.560 62.656 63.200 0.028 0.000 1.207 300 S HN 0.673 nan 8.310 nan 0.000 0.427 301 Y N 0.974 121.470 120.300 0.326 0.000 2.352 301 Y HA 0.526 5.076 4.550 -0.001 0.000 0.326 301 Y C 1.465 177.473 175.900 0.180 0.000 1.166 301 Y CA -0.802 57.441 58.100 0.239 0.000 1.182 301 Y CB 1.907 40.509 38.460 0.235 0.000 1.216 301 Y HN 0.606 nan 8.280 nan 0.000 0.474 302 G N 1.847 110.808 108.800 0.270 0.000 2.613 302 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.218 302 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.218 302 G C 1.068 176.038 174.900 0.117 0.000 1.508 302 G CA -0.200 44.997 45.100 0.161 0.000 0.788 302 G HN 0.503 nan 8.290 nan 0.000 0.603 303 R N 1.332 121.866 120.500 0.057 0.000 2.066 303 R HA 0.195 4.535 4.340 -0.001 0.000 0.232 303 R C 2.683 178.987 176.300 0.006 0.000 1.131 303 R CA 1.440 57.553 56.100 0.023 0.000 0.955 303 R CB -0.954 29.339 30.300 -0.013 0.000 0.851 303 R HN 0.322 nan 8.270 nan 0.000 0.432 304 A N 0.510 123.281 122.820 -0.082 0.000 2.186 304 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 304 A C 1.742 179.348 177.584 0.037 0.000 1.159 304 A CA 1.169 53.124 52.037 -0.136 0.000 0.680 304 A CB -0.444 18.230 19.000 -0.543 0.000 0.787 304 A HN 0.255 nan 8.150 nan 0.000 0.467 305 L N -2.023 119.300 121.223 0.167 0.000 2.693 305 L HA 0.132 4.471 4.340 -0.001 0.000 0.235 305 L C 1.337 178.343 176.870 0.226 0.000 1.127 305 L CA 0.238 55.220 54.840 0.237 0.000 0.914 305 L CB 0.257 42.536 42.059 0.367 0.000 1.193 305 L HN 0.410 nan 8.230 nan 0.000 0.502 306 Q N -1.290 118.604 119.800 0.158 0.000 2.093 306 Q HA 0.287 4.626 4.340 -0.001 0.000 0.217 306 Q C 1.569 177.653 176.000 0.139 0.000 0.785 306 Q CA 0.266 56.174 55.803 0.176 0.000 1.038 306 Q CB 1.062 29.919 28.738 0.197 0.000 1.190 306 Q HN 0.332 nan 8.270 nan 0.000 0.468 307 A N 1.316 124.189 122.820 0.088 0.000 1.840 307 A HA -0.161 4.159 4.320 -0.001 0.000 0.214 307 A C 2.230 179.855 177.584 0.067 0.000 1.198 307 A CA 1.865 53.931 52.037 0.048 0.000 0.608 307 A CB -0.640 18.376 19.000 0.027 0.000 0.839 307 A HN 0.366 nan 8.150 nan 0.000 0.443 308 S N 0.378 116.127 115.700 0.080 0.000 2.400 308 S HA -0.004 4.466 4.470 -0.001 0.000 0.232 308 S C 1.998 176.676 174.600 0.129 0.000 1.025 308 S CA 1.385 59.637 58.200 0.086 0.000 0.993 308 S CB -0.614 62.629 63.200 0.071 0.000 0.808 308 S HN 0.878 nan 8.310 nan 0.000 0.478 309 A N 1.538 124.467 122.820 0.182 0.000 1.929 309 A HA 0.191 4.511 4.320 -0.001 0.000 0.216 309 A C 2.160 179.937 177.584 0.323 0.000 1.176 309 A CA 1.057 53.248 52.037 0.258 0.000 0.628 309 A CB -0.717 18.459 19.000 0.292 0.000 0.816 309 A HN 0.434 nan 8.150 nan 0.000 0.444 310 L N -0.213 121.127 121.223 0.195 0.000 2.012 310 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 310 L C 2.855 179.789 176.870 0.107 0.000 1.073 310 L CA 2.052 56.864 54.840 -0.047 0.000 0.748 310 L CB -1.087 40.833 42.059 -0.232 0.000 0.891 310 L HN 0.399 nan 8.230 nan 0.000 0.431 311 A N -1.164 121.706 122.820 0.083 0.000 1.872 311 A HA -0.058 4.262 4.320 -0.001 0.000 0.214 311 A C 2.421 180.064 177.584 0.099 0.000 1.187 311 A CA 1.606 53.680 52.037 0.061 0.000 0.614 311 A CB -1.007 18.018 19.000 0.043 0.000 0.826 311 A HN 0.429 nan 8.150 nan 0.000 0.442 312 A N -1.617 121.285 122.820 0.137 0.000 1.978 312 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 312 A C 1.924 179.634 177.584 0.210 0.000 1.170 312 A CA 1.673 53.797 52.037 0.144 0.000 0.636 312 A CB -0.785 18.308 19.000 0.155 0.000 0.810 312 A HN 0.857 nan 8.150 nan 0.000 0.448 313 W N 0.082 121.419 121.300 0.062 0.000 2.380 313 W HA 0.123 4.783 4.660 -0.001 0.000 0.317 313 W C 1.701 178.231 176.519 0.018 0.000 1.196 313 W CA 2.122 59.508 57.345 0.068 0.000 1.307 313 W CB -0.726 28.811 29.460 0.129 0.000 1.157 313 W HN 0.714 nan 8.180 nan 0.000 0.483 314 G N -0.294 108.473 108.800 -0.056 0.000 2.187 314 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.261 314 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.261 314 G C 1.207 175.639 174.900 -0.780 0.000 1.000 314 G CA 1.183 46.102 45.100 -0.301 0.000 0.718 314 G HN 1.615 nan 8.290 nan 0.000 0.519 315 G N -1.540 106.102 108.800 -1.929 0.000 2.136 315 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.242 315 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.242 315 G C 0.155 174.324 174.900 -1.219 0.000 0.989 315 G CA 0.902 44.579 45.100 -2.373 0.000 0.682 315 G HN 0.980 nan 8.290 nan 0.000 0.522 316 K N 0.225 120.086 120.400 -0.898 0.000 2.367 316 K HA 0.634 4.953 4.320 -0.001 0.000 0.263 316 K C 1.494 178.098 176.600 0.008 0.000 1.000 316 K CA -0.032 56.085 56.287 -0.282 0.000 0.891 316 K CB 1.487 33.877 32.500 -0.184 0.000 1.117 316 K HN 0.302 nan 8.250 nan 0.000 0.443 317 A N 3.172 126.059 122.820 0.112 0.000 1.971 317 A HA -0.283 4.036 4.320 -0.001 0.000 0.222 317 A C 2.108 179.788 177.584 0.159 0.000 1.182 317 A CA 2.484 54.643 52.037 0.203 0.000 0.649 317 A CB -0.478 18.603 19.000 0.136 0.000 0.818 317 A HN 0.823 nan 8.150 nan 0.000 0.458 318 A N -0.286 122.590 122.820 0.093 0.000 2.076 318 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 318 A C 1.591 179.230 177.584 0.093 0.000 1.160 318 A CA 1.761 53.841 52.037 0.072 0.000 0.653 318 A CB -0.541 18.480 19.000 0.036 0.000 0.801 318 A HN 0.559 nan 8.150 nan 0.000 0.455 319 N N -0.428 118.353 118.700 0.136 0.000 2.383 319 N HA -0.008 4.732 4.740 -0.001 0.000 0.192 319 N C 1.254 176.877 175.510 0.188 0.000 1.141 319 N CA 0.604 53.749 53.050 0.159 0.000 0.851 319 N CB -0.112 38.483 38.487 0.180 0.000 0.976 319 N HN 0.682 nan 8.380 nan 0.000 0.465 320 K N 1.600 122.106 120.400 0.176 0.000 2.066 320 K HA -0.288 4.032 4.320 -0.001 0.000 0.221 320 K C 1.412 178.070 176.600 0.097 0.000 1.056 320 K CA 1.823 58.188 56.287 0.129 0.000 0.950 320 K CB -0.022 32.532 32.500 0.089 0.000 0.726 320 K HN 0.195 nan 8.250 nan 0.000 0.456 321 E N -0.581 119.669 120.200 0.083 0.000 2.038 321 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 321 E C 1.983 178.632 176.600 0.081 0.000 1.000 321 E CA 1.351 57.793 56.400 0.070 0.000 0.803 321 E CB -0.214 29.520 29.700 0.057 0.000 0.750 321 E HN 0.531 nan 8.360 nan 0.000 0.448 322 A N 0.352 123.228 122.820 0.093 0.000 1.940 322 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 322 A C 2.343 179.999 177.584 0.120 0.000 1.176 322 A CA 2.091 54.186 52.037 0.096 0.000 0.631 322 A CB -0.904 18.155 19.000 0.099 0.000 0.814 322 A HN 0.243 nan 8.150 nan 0.000 0.446 323 T N -0.058 114.585 114.554 0.147 0.000 2.708 323 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 323 T C 2.065 176.841 174.700 0.126 0.000 1.037 323 T CA 1.671 63.871 62.100 0.166 0.000 1.146 323 T CB -0.286 68.681 68.868 0.166 0.000 0.865 323 T HN 0.616 nan 8.240 nan 0.000 0.435 324 Q N 0.355 120.211 119.800 0.092 0.000 2.135 324 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 324 Q C 2.448 178.524 176.000 0.126 0.000 0.981 324 Q CA 0.976 56.846 55.803 0.112 0.000 0.856 324 Q CB -0.079 28.702 28.738 0.072 0.000 0.902 324 Q HN 0.480 nan 8.270 nan 0.000 0.425 325 E N 0.098 120.354 120.200 0.093 0.000 2.107 325 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 325 E C 1.857 178.498 176.600 0.067 0.000 0.982 325 E CA 0.917 57.354 56.400 0.062 0.000 0.809 325 E CB 0.055 29.788 29.700 0.056 0.000 0.756 325 E HN 0.309 nan 8.360 nan 0.000 0.459 326 A N 0.846 123.732 122.820 0.109 0.000 1.872 326 A HA -0.151 4.168 4.320 -0.001 0.000 0.214 326 A C 1.991 179.673 177.584 0.164 0.000 1.187 326 A CA 1.157 53.268 52.037 0.122 0.000 0.614 326 A CB -0.778 18.309 19.000 0.145 0.000 0.826 326 A HN 0.344 nan 8.150 nan 0.000 0.442 327 F N 0.137 120.102 119.950 0.025 0.000 2.186 327 F HA -0.100 4.427 4.527 -0.001 0.000 0.299 327 F C 2.080 177.887 175.800 0.012 0.000 1.090 327 F CA 1.607 59.617 58.000 0.017 0.000 1.307 327 F CB -0.279 38.713 39.000 -0.013 0.000 1.019 327 F HN 0.079 nan 8.300 nan 0.000 0.489 328 M N 0.633 120.123 119.600 -0.183 0.000 2.132 328 M HA -0.178 4.302 4.480 -0.001 0.000 0.263 328 M C 2.356 178.538 176.300 -0.195 0.000 1.065 328 M CA 1.678 56.780 55.300 -0.330 0.000 1.122 328 M CB -0.905 31.602 32.600 -0.156 0.000 1.365 328 M HN 0.285 nan 8.290 nan 0.000 0.411 329 K N -0.020 120.332 120.400 -0.080 0.000 2.025 329 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 329 K C 2.080 178.645 176.600 -0.059 0.000 1.049 329 K CA 1.122 57.383 56.287 -0.045 0.000 0.933 329 K CB 0.068 32.565 32.500 -0.004 0.000 0.714 329 K HN 0.028 nan 8.250 nan 0.000 0.438 330 R N 0.610 121.086 120.500 -0.040 0.000 2.091 330 R HA -0.059 4.280 4.340 -0.001 0.000 0.238 330 R C 2.246 178.463 176.300 -0.138 0.000 1.136 330 R CA 1.449 57.517 56.100 -0.054 0.000 0.959 330 R CB -1.201 29.119 30.300 0.032 0.000 0.856 330 R HN 0.406 nan 8.270 nan 0.000 0.437 331 A N 0.684 123.394 122.820 -0.184 0.000 1.877 331 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 331 A C 2.308 179.795 177.584 -0.161 0.000 1.186 331 A CA 1.621 53.528 52.037 -0.217 0.000 0.620 331 A CB -0.431 18.345 19.000 -0.374 0.000 0.822 331 A HN 0.196 nan 8.150 nan 0.000 0.443 332 M N -0.673 118.851 119.600 -0.126 0.000 2.080 332 M HA -0.210 4.270 4.480 -0.001 0.000 0.260 332 M C 2.591 178.869 176.300 -0.036 0.000 1.068 332 M CA 1.599 56.865 55.300 -0.057 0.000 1.109 332 M CB -0.583 31.990 32.600 -0.045 0.000 1.342 332 M HN 0.523 nan 8.290 nan 0.000 0.405 333 A N 0.664 123.450 122.820 -0.056 0.000 1.908 333 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 333 A C 1.809 179.275 177.584 -0.197 0.000 1.181 333 A CA 1.796 53.806 52.037 -0.046 0.000 0.627 333 A CB -0.804 18.112 19.000 -0.140 0.000 0.818 333 A HN 0.531 nan 8.150 nan 0.000 0.445 334 N N -0.754 117.738 118.700 -0.346 0.000 2.457 334 N HA -0.100 4.639 4.740 -0.001 0.000 0.180 334 N C 1.649 177.019 175.510 -0.234 0.000 1.050 334 N CA 1.142 53.853 53.050 -0.564 0.000 0.906 334 N CB -0.478 37.249 38.487 -1.267 0.000 0.968 334 N HN 0.633 nan 8.380 nan 0.000 0.445 335 C N 1.274 120.547 119.300 -0.045 0.000 2.450 335 C HA 0.034 4.494 4.460 -0.001 0.000 0.279 335 C C 2.409 177.467 174.990 0.114 0.000 1.335 335 C CA 0.629 59.738 59.018 0.151 0.000 1.749 335 C CB -0.589 27.229 27.740 0.130 0.000 1.963 335 C HN 0.409 nan 8.230 nan 0.000 0.501 336 Q N 0.689 120.544 119.800 0.092 0.000 2.137 336 Q HA 0.039 4.379 4.340 -0.001 0.000 0.198 336 Q C 2.513 178.599 176.000 0.143 0.000 0.960 336 Q CA 1.466 57.346 55.803 0.127 0.000 0.847 336 Q CB -0.299 28.550 28.738 0.186 0.000 0.915 336 Q HN 0.752 nan 8.270 nan 0.000 0.448 337 A N 1.577 124.456 122.820 0.100 0.000 1.902 337 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 337 A C 2.363 180.014 177.584 0.110 0.000 1.181 337 A CA 1.479 53.567 52.037 0.085 0.000 0.623 337 A CB -0.802 18.179 19.000 -0.032 0.000 0.818 337 A HN 0.375 nan 8.150 nan 0.000 0.443 338 A N -0.245 122.657 122.820 0.136 0.000 2.024 338 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 338 A C 1.858 179.514 177.584 0.120 0.000 1.164 338 A CA 1.873 54.008 52.037 0.164 0.000 0.643 338 A CB -0.338 18.793 19.000 0.219 0.000 0.806 338 A HN 0.548 nan 8.150 nan 0.000 0.451 339 K N -1.357 119.107 120.400 0.106 0.000 2.397 339 K HA 0.342 4.661 4.320 -0.001 0.000 0.202 339 K C 0.833 177.483 176.600 0.083 0.000 1.022 339 K CA 0.394 56.733 56.287 0.085 0.000 1.141 339 K CB 0.180 32.722 32.500 0.071 0.000 0.857 339 K HN 0.536 nan 8.250 nan 0.000 0.514 340 G N 1.936 110.794 108.800 0.097 0.000 2.225 340 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.267 340 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.267 340 G C 0.381 175.333 174.900 0.087 0.000 1.024 340 G CA 0.376 45.531 45.100 0.092 0.000 0.784 340 G HN 0.469 nan 8.290 nan 0.000 0.507 341 Q N -1.587 118.273 119.800 0.100 0.000 2.194 341 Q HA 0.290 4.630 4.340 -0.001 0.000 0.214 341 Q C 0.402 176.462 176.000 0.100 0.000 0.838 341 Q CA -0.532 55.318 55.803 0.078 0.000 0.972 341 Q CB 0.653 29.427 28.738 0.060 0.000 1.131 341 Q HN 0.689 nan 8.270 nan 0.000 0.498 342 Y N 0.409 120.722 120.300 0.021 0.000 2.304 342 Y HA 0.373 4.923 4.550 -0.001 0.000 0.328 342 Y C -0.768 175.147 175.900 0.024 0.000 1.123 342 Y CA -0.574 57.535 58.100 0.015 0.000 1.218 342 Y CB 0.717 39.183 38.460 0.010 0.000 1.207 342 Y HN -0.273 nan 8.280 nan 0.000 0.495 343 V N 6.107 125.561 119.914 -0.768 0.000 2.540 343 V HA 0.096 4.215 4.120 -0.001 0.000 0.302 343 V C -0.730 174.899 176.094 -0.774 0.000 1.035 343 V CA -1.041 60.957 62.300 -0.503 0.000 0.873 343 V CB 1.201 32.879 31.823 -0.242 0.000 0.992 343 V HN 0.819 nan 8.190 nan 0.000 0.428 344 H N 4.062 122.907 119.070 -0.376 0.000 3.267 344 H HA 0.170 4.725 4.556 -0.001 0.000 0.239 344 H C 0.635 175.846 175.328 -0.195 0.000 0.836 344 H CA 1.396 57.343 56.048 -0.168 0.000 1.388 344 H CB 0.025 29.796 29.762 0.016 0.000 1.505 344 H HN 0.986 nan 8.280 nan 0.000 0.510 345 T N 0.867 115.085 114.554 -0.560 0.000 2.618 345 T HA 0.582 4.932 4.350 -0.001 0.000 0.255 345 T C 0.754 175.346 174.700 -0.179 0.000 0.988 345 T CA -0.471 61.415 62.100 -0.357 0.000 1.221 345 T CB 0.114 68.796 68.868 -0.308 0.000 1.674 345 T HN 0.979 nan 8.240 nan 0.000 0.448 346 G N 0.842 109.651 108.800 0.016 0.000 3.085 346 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.455 346 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.455 346 G C 0.074 174.969 174.900 -0.008 0.000 1.592 346 G CA 0.001 45.150 45.100 0.081 0.000 1.083 346 G HN 1.563 nan 8.290 nan 0.000 0.574 347 S N -0.464 115.241 115.700 0.008 0.000 3.305 347 S HA 0.256 4.725 4.470 -0.001 0.000 0.397 347 S C 0.648 175.255 174.600 0.012 0.000 1.171 347 S CA 1.350 59.557 58.200 0.011 0.000 0.935 347 S CB -0.130 63.083 63.200 0.021 0.000 0.642 347 S HN 1.712 nan 8.310 nan 0.000 0.479 348 S N 1.831 117.542 115.700 0.019 0.000 2.545 348 S HA 0.618 5.088 4.470 -0.001 0.000 0.259 348 S C -0.188 174.431 174.600 0.032 0.000 1.092 348 S CA -0.100 58.120 58.200 0.034 0.000 1.054 348 S CB 1.113 64.338 63.200 0.040 0.000 1.146 348 S HN 1.161 nan 8.310 nan 0.000 0.447 349 G N 0.881 109.702 108.800 0.035 0.000 2.576 349 G HA2 0.618 4.578 3.960 -0.001 0.000 0.290 349 G HA3 0.618 4.578 3.960 -0.001 0.000 0.290 349 G C 0.516 175.434 174.900 0.031 0.000 1.442 349 G CA 0.016 45.134 45.100 0.030 0.000 0.792 349 G HN 0.740 nan 8.290 nan 0.000 0.491 350 A N -0.247 122.588 122.820 0.024 0.000 1.978 350 A HA 0.229 4.549 4.320 -0.001 0.000 0.220 350 A C 2.628 180.224 177.584 0.020 0.000 1.170 350 A CA 2.910 54.959 52.037 0.020 0.000 0.636 350 A CB -0.660 18.349 19.000 0.014 0.000 0.810 350 A HN 1.870 nan 8.150 nan 0.000 0.448 351 A N -0.567 122.266 122.820 0.022 0.000 2.121 351 A HA 0.037 4.357 4.320 -0.001 0.000 0.218 351 A C 2.232 179.829 177.584 0.020 0.000 1.154 351 A CA 1.743 53.792 52.037 0.021 0.000 0.679 351 A CB -0.468 18.548 19.000 0.027 0.000 0.795 351 A HN 0.488 nan 8.150 nan 0.000 0.458 352 S N -0.647 115.068 115.700 0.025 0.000 2.458 352 S HA -0.043 4.426 4.470 -0.001 0.000 0.223 352 S C 1.682 176.295 174.600 0.021 0.000 1.019 352 S CA 1.204 59.417 58.200 0.022 0.000 0.937 352 S CB -0.110 63.110 63.200 0.033 0.000 0.788 352 S HN 0.821 nan 8.310 nan 0.000 0.511 353 T N -1.050 113.520 114.554 0.027 0.000 3.054 353 T HA 0.229 4.579 4.350 -0.001 0.000 0.255 353 T C 1.299 176.004 174.700 0.009 0.000 1.035 353 T CA -0.051 62.062 62.100 0.023 0.000 0.941 353 T CB 0.092 68.980 68.868 0.034 0.000 1.026 353 T HN 0.022 nan 8.240 nan 0.000 0.533 354 Q N 2.998 122.802 119.800 0.007 0.000 1.850 354 Q HA -0.227 4.112 4.340 -0.001 0.000 0.285 354 Q C 0.567 176.569 176.000 0.003 0.000 1.057 354 Q CA 2.625 58.431 55.803 0.004 0.000 0.892 354 Q CB -0.999 27.740 28.738 0.001 0.000 1.003 354 Q HN 0.942 nan 8.270 nan 0.000 0.422 355 S N -2.774 112.925 115.700 -0.001 0.000 2.772 355 S HA -0.019 4.451 4.470 -0.001 0.000 0.857 355 S C -1.008 173.605 174.600 0.022 0.000 0.842 355 S CA 0.248 58.454 58.200 0.010 0.000 1.520 355 S CB -1.426 61.786 63.200 0.019 0.000 1.093 355 S HN 0.437 nan 8.310 nan 0.000 0.224 356 L N 0.000 121.240 121.223 0.028 0.000 2.949 356 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 356 L CA 0.000 54.847 54.840 0.012 0.000 0.813 356 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 356 L HN 0.000 nan 8.230 nan 0.000 0.502