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 1lwt_1_A DATA FIRST_RESID 1 DATA SEQUENCE CFAKGTNVLX ADGSIECIEN IEVGNKVXGK DGRPREVIKL PRGRETXYSV DATA SEQUENCE VQKSQHRAHK XXSSREVPEL LKFTCNATHE LVVRTPRSVR RLSRTIKGVE DATA SEQUENCE YFEVITFEXG QKKAPDGRIV ELVKEVSKSY PISEGPERAN ELVESYRKAS DATA SEQUENCE NKAYFEWTIE ARDLSLLGSH VRKATYQTYA PILYENDHFF DYXQKSKFHL DATA SEQUENCE TIEGPKVLAY LLGLWIGDGL SDRATFSVDS RDTSLXERVT EYAEKLNLCA DATA SEQUENCE EYKDRKXXXX AKTVNLYSKV VRGNGIRNNL NTENPLWDAI VGLGFLKDGV DATA SEQUENCE KNIPSFLSTD NIGTRETFLA GLIDSDGYVT DEHGIKATIK TIHTSVRDGL DATA SEQUENCE VSLARSLGLV VSVNAEPAKV DXNGTKHKIS YAIYXSGGDV LLNVLSKCAG DATA SEQUENCE SKKFRPAPAA AFARECRGFY FELQELKEDD YYGITLSDDS DHQFLLANQV DATA SEQUENCE VVHN 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 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.845 174.990 -0.242 0.000 1.270 1 C CA 0.000 58.963 59.018 -0.092 0.000 1.963 1 C CB 0.000 27.539 27.740 -0.335 0.000 2.134 2 F N 1.392 121.546 119.950 0.341 0.000 2.522 2 F HA 0.735 5.263 4.527 0.001 0.000 0.324 2 F C 0.793 176.808 175.800 0.359 0.000 1.077 2 F CA -0.406 57.782 58.000 0.313 0.000 0.944 2 F CB 1.148 40.313 39.000 0.275 0.000 1.175 2 F HN 0.867 nan 8.300 nan 0.000 0.468 3 A N 2.039 125.135 122.820 0.461 0.000 2.445 3 A HA 0.222 4.543 4.320 0.001 0.000 0.242 3 A C 0.169 177.966 177.584 0.355 0.000 1.075 3 A CA -0.554 51.709 52.037 0.376 0.000 0.777 3 A CB 0.088 19.241 19.000 0.255 0.000 1.013 3 A HN 0.798 nan 8.150 nan 0.000 0.493 4 K N 1.053 121.649 120.400 0.328 0.000 2.419 4 K HA 0.353 4.673 4.320 0.001 0.000 0.282 4 K C 1.052 177.670 176.600 0.030 0.000 1.056 4 K CA 1.039 57.365 56.287 0.065 0.000 1.035 4 K CB -0.196 32.308 32.500 0.007 0.000 0.921 4 K HN 1.174 nan 8.250 nan 0.000 0.472 5 G N 2.523 111.313 108.800 -0.017 0.000 3.288 5 G HA2 -0.198 3.763 3.960 0.001 0.000 0.195 5 G HA3 -0.198 3.763 3.960 0.001 0.000 0.195 5 G C -0.167 174.735 174.900 0.004 0.000 1.093 5 G CA -0.305 44.792 45.100 -0.005 0.000 0.852 5 G HN 0.596 nan 8.290 nan 0.000 0.453 6 T N 3.732 118.318 114.554 0.053 0.000 2.656 6 T HA 0.177 4.527 4.350 0.001 0.000 0.263 6 T C 0.287 174.961 174.700 -0.044 0.000 1.017 6 T CA 0.485 62.608 62.100 0.038 0.000 1.216 6 T CB -0.172 68.761 68.868 0.108 0.000 0.989 6 T HN 0.402 nan 8.240 nan 0.000 0.507 7 N N 2.872 121.536 118.700 -0.059 0.000 2.514 7 N HA 0.294 5.035 4.740 0.001 0.000 0.277 7 N C -0.340 175.110 175.510 -0.101 0.000 1.126 7 N CA -0.429 52.576 53.050 -0.076 0.000 0.978 7 N CB 1.454 39.902 38.487 -0.065 0.000 1.106 7 N HN 0.241 nan 8.380 nan 0.000 0.461 8 V N 2.296 122.159 119.914 -0.085 0.000 2.732 8 V HA 0.326 4.447 4.120 0.001 0.000 0.310 8 V C 0.341 176.407 176.094 -0.046 0.000 1.053 8 V CA -0.782 61.487 62.300 -0.051 0.000 0.957 8 V CB 1.933 33.723 31.823 -0.055 0.000 1.018 8 V HN 0.469 nan 8.190 nan 0.000 0.452 12 D N 0.449 120.629 120.400 -0.368 0.000 2.363 12 D HA 0.323 4.963 4.640 0.001 0.000 0.226 12 D C 1.311 177.473 176.300 -0.229 0.000 1.020 12 D CA 1.272 55.097 54.000 -0.292 0.000 0.892 12 D CB -0.406 40.344 40.800 -0.083 0.000 0.900 12 D HN 1.497 nan 8.370 nan 0.000 0.531 13 G N 0.140 108.763 108.800 -0.295 0.000 2.184 13 G HA2 -0.328 3.632 3.960 0.001 0.000 0.264 13 G HA3 -0.328 3.632 3.960 0.001 0.000 0.264 13 G C 0.531 175.406 174.900 -0.042 0.000 0.975 13 G CA 0.784 45.815 45.100 -0.114 0.000 0.642 13 G HN 0.855 nan 8.290 nan 0.000 0.536 14 S N -0.549 115.119 115.700 -0.053 0.000 2.640 14 S HA 0.738 5.209 4.470 0.001 0.000 0.262 14 S C 0.280 174.850 174.600 -0.051 0.000 1.232 14 S CA -0.183 57.996 58.200 -0.035 0.000 0.988 14 S CB 1.211 64.392 63.200 -0.032 0.000 1.034 14 S HN 0.760 nan 8.310 nan 0.000 0.569 15 I N 0.410 120.951 120.570 -0.047 0.000 2.447 15 I HA 0.467 4.638 4.170 0.001 0.000 0.287 15 I C -0.348 175.736 176.117 -0.055 0.000 1.023 15 I CA -0.294 60.973 61.300 -0.055 0.000 1.083 15 I CB 1.921 39.889 38.000 -0.054 0.000 1.245 15 I HN 0.717 nan 8.210 nan 0.000 0.434 16 E N 3.974 124.137 120.200 -0.063 0.000 2.238 16 E HA 0.409 4.760 4.350 0.001 0.000 0.267 16 E C -1.352 175.207 176.600 -0.069 0.000 0.887 16 E CA -0.603 55.760 56.400 -0.063 0.000 0.769 16 E CB 2.236 31.896 29.700 -0.068 0.000 1.187 16 E HN 0.591 nan 8.360 nan 0.000 0.416 17 C N 3.986 123.245 119.300 -0.067 0.000 2.637 17 C HA 0.057 4.518 4.460 0.001 0.000 0.418 17 C C 2.232 177.171 174.990 -0.085 0.000 1.319 17 C CA -0.141 58.831 59.018 -0.077 0.000 1.949 17 C CB -0.502 27.189 27.740 -0.081 0.000 2.639 17 C HN 0.929 nan 8.230 nan 0.000 0.594 18 I N 3.505 124.026 120.570 -0.082 0.000 2.145 18 I HA -0.205 3.966 4.170 0.001 0.000 0.244 18 I C 1.997 178.078 176.117 -0.060 0.000 1.075 18 I CA 2.127 63.396 61.300 -0.051 0.000 1.332 18 I CB -0.226 37.785 38.000 0.018 0.000 1.033 18 I HN 0.841 nan 8.210 nan 0.000 0.410 19 E N 0.692 120.771 120.200 -0.202 0.000 2.265 19 E HA -0.137 4.213 4.350 0.001 0.000 0.196 19 E C 1.456 177.996 176.600 -0.101 0.000 0.996 19 E CA 1.299 57.519 56.400 -0.301 0.000 0.832 19 E CB -0.549 28.802 29.700 -0.583 0.000 0.756 19 E HN 0.624 nan 8.360 nan 0.000 0.491 20 N N 0.226 118.876 118.700 -0.082 0.000 2.236 20 N HA 0.104 4.845 4.740 0.001 0.000 0.196 20 N C -0.049 175.439 175.510 -0.036 0.000 1.114 20 N CA 0.069 53.090 53.050 -0.049 0.000 0.859 20 N CB 0.812 39.266 38.487 -0.055 0.000 0.982 20 N HN 0.200 nan 8.380 nan 0.000 0.493 21 I N 2.132 122.679 120.570 -0.038 0.000 2.452 21 I HA 0.011 4.182 4.170 0.001 0.000 0.287 21 I C 0.718 176.820 176.117 -0.026 0.000 1.079 21 I CA 0.232 61.504 61.300 -0.047 0.000 1.387 21 I CB 0.579 38.532 38.000 -0.078 0.000 1.404 21 I HN -0.096 nan 8.210 nan 0.000 0.522 22 E N 4.729 124.911 120.200 -0.030 0.000 2.561 22 E HA 0.402 4.753 4.350 0.001 0.000 0.254 22 E C -0.825 175.759 176.600 -0.028 0.000 1.213 22 E CA -0.916 55.473 56.400 -0.018 0.000 0.995 22 E CB 1.347 31.038 29.700 -0.016 0.000 1.233 22 E HN 0.259 nan 8.360 nan 0.000 0.556 23 V N 0.849 120.752 119.914 -0.018 0.000 2.461 23 V HA 0.381 4.502 4.120 0.001 0.000 0.275 23 V C 1.004 177.082 176.094 -0.027 0.000 1.047 23 V CA 1.177 63.463 62.300 -0.022 0.000 0.955 23 V CB 0.406 32.223 31.823 -0.010 0.000 0.988 23 V HN 1.026 nan 8.190 nan 0.000 0.471 24 G N 4.057 112.835 108.800 -0.036 0.000 2.218 24 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 24 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 24 G C 0.207 175.081 174.900 -0.044 0.000 0.994 24 G CA -0.238 44.841 45.100 -0.034 0.000 0.637 24 G HN 0.588 nan 8.290 nan 0.000 0.505 25 N N 0.963 119.630 118.700 -0.055 0.000 2.381 25 N HA 0.490 5.231 4.740 0.001 0.000 0.254 25 N C -0.147 175.312 175.510 -0.085 0.000 1.264 25 N CA 0.223 53.233 53.050 -0.067 0.000 0.942 25 N CB 0.451 38.894 38.487 -0.073 0.000 1.190 25 N HN 0.208 nan 8.380 nan 0.000 0.495 26 K N 1.103 121.446 120.400 -0.095 0.000 2.483 26 K HA 0.301 4.622 4.320 0.001 0.000 0.256 26 K C -0.099 176.422 176.600 -0.133 0.000 0.961 26 K CA -0.589 55.635 56.287 -0.106 0.000 0.873 26 K CB 1.350 33.798 32.500 -0.087 0.000 1.107 26 K HN 0.391 nan 8.250 nan 0.000 0.432 30 K N -0.584 119.838 120.400 0.036 0.000 2.281 30 K HA -0.124 4.196 4.320 0.001 0.000 0.203 30 K C 1.157 177.774 176.600 0.029 0.000 1.046 30 K CA 2.004 58.307 56.287 0.026 0.000 0.938 30 K CB -0.025 32.486 32.500 0.018 0.000 0.737 30 K HN 0.410 nan 8.250 nan 0.000 0.458 31 D N -0.302 120.116 120.400 0.030 0.000 2.349 31 D HA 0.058 4.698 4.640 0.001 0.000 0.224 31 D C 1.256 177.583 176.300 0.045 0.000 1.029 31 D CA 0.669 54.686 54.000 0.029 0.000 0.879 31 D CB 0.294 41.109 40.800 0.024 0.000 0.906 31 D HN 0.443 nan 8.370 nan 0.000 0.528 32 G N -0.037 108.798 108.800 0.058 0.000 2.241 32 G HA2 -0.335 3.625 3.960 0.001 0.000 0.244 32 G HA3 -0.335 3.625 3.960 0.001 0.000 0.244 32 G C 0.474 175.440 174.900 0.110 0.000 0.998 32 G CA 0.033 45.196 45.100 0.104 0.000 0.621 32 G HN 0.524 nan 8.290 nan 0.000 0.519 33 R N 1.795 122.334 120.500 0.065 0.000 2.528 33 R HA 0.480 4.821 4.340 0.001 0.000 0.271 33 R C -1.947 174.355 176.300 0.003 0.000 1.056 33 R CA -1.393 54.736 56.100 0.049 0.000 1.117 33 R CB 0.800 31.122 30.300 0.036 0.000 1.085 33 R HN 0.166 nan 8.270 nan 0.000 0.530 34 P HA 0.054 nan 4.420 nan 0.000 0.271 34 P C -1.109 176.166 177.300 -0.042 0.000 1.216 34 P CA 0.104 63.174 63.100 -0.050 0.000 0.776 34 P CB 0.783 32.452 31.700 -0.051 0.000 0.881 35 R N 2.156 122.622 120.500 -0.057 0.000 2.358 35 R HA 0.279 4.620 4.340 0.001 0.000 0.309 35 R C 0.281 176.529 176.300 -0.087 0.000 1.026 35 R CA -0.702 55.362 56.100 -0.059 0.000 0.909 35 R CB 0.798 31.076 30.300 -0.037 0.000 1.153 35 R HN 0.613 nan 8.270 nan 0.000 0.515 36 E N 1.582 121.739 120.200 -0.073 0.000 2.418 36 E HA 0.114 4.465 4.350 0.001 0.000 0.261 36 E C -0.588 175.962 176.600 -0.084 0.000 1.070 36 E CA -0.130 56.226 56.400 -0.073 0.000 0.931 36 E CB 0.932 30.602 29.700 -0.051 0.000 0.954 36 E HN 0.098 nan 8.360 nan 0.000 0.439 37 V N 5.496 125.359 119.914 -0.085 0.000 2.547 37 V HA 0.214 4.335 4.120 0.001 0.000 0.299 37 V C 0.742 176.809 176.094 -0.046 0.000 1.040 37 V CA -0.251 62.000 62.300 -0.083 0.000 0.913 37 V CB 1.446 33.206 31.823 -0.105 0.000 0.992 37 V HN 0.727 nan 8.190 nan 0.000 0.449 38 I N -0.027 120.527 120.570 -0.027 0.000 4.442 38 I HA 0.536 4.707 4.170 0.001 0.000 0.331 38 I C 0.189 176.307 176.117 0.002 0.000 1.364 38 I CA -0.089 61.205 61.300 -0.010 0.000 1.207 38 I CB 0.427 38.426 38.000 -0.002 0.000 1.298 38 I HN 0.404 nan 8.210 nan 0.000 0.463 39 K N 1.645 122.048 120.400 0.005 0.000 2.543 39 K HA 0.555 4.876 4.320 0.001 0.000 0.255 39 K C -1.107 175.512 176.600 0.032 0.000 0.934 39 K CA -0.530 55.769 56.287 0.020 0.000 0.810 39 K CB 3.126 35.642 32.500 0.028 0.000 1.315 39 K HN 0.049 nan 8.250 nan 0.000 0.433 40 L N 3.360 124.610 121.223 0.045 0.000 3.047 40 L HA 0.269 4.610 4.340 0.001 0.000 0.242 40 L C -2.274 174.654 176.870 0.097 0.000 1.315 40 L CA -1.707 53.177 54.840 0.073 0.000 1.042 40 L CB 0.382 42.480 42.059 0.066 0.000 1.420 40 L HN 0.240 nan 8.230 nan 0.000 0.517 41 P HA -0.027 nan 4.420 nan 0.000 0.255 41 P C -0.293 177.135 177.300 0.213 0.000 1.161 41 P CA 0.815 64.004 63.100 0.149 0.000 0.768 41 P CB 0.350 32.142 31.700 0.154 0.000 0.746 42 R N 2.074 122.615 120.500 0.068 0.000 2.943 42 R HA 0.876 5.216 4.340 0.001 0.000 0.246 42 R C 0.326 176.244 176.300 -0.637 0.000 1.201 42 R CA -0.737 55.220 56.100 -0.237 0.000 1.056 42 R CB 2.136 32.278 30.300 -0.263 0.000 1.243 42 R HN 0.645 nan 8.270 nan 0.000 0.498 43 G N 0.239 108.268 108.800 -1.285 0.000 2.352 43 G HA2 0.109 4.069 3.960 0.001 0.000 0.283 43 G HA3 0.109 4.069 3.960 0.001 0.000 0.283 43 G C -1.819 172.346 174.900 -1.225 0.000 1.308 43 G CA -0.870 43.521 45.100 -1.181 0.000 0.892 43 G HN 0.463 nan 8.290 nan 0.000 0.504 44 R N -0.049 120.171 120.500 -0.468 0.000 2.686 44 R HA 0.756 5.096 4.340 0.001 0.000 0.283 44 R C -0.686 175.728 176.300 0.190 0.000 0.978 44 R CA -0.549 55.485 56.100 -0.110 0.000 0.897 44 R CB 1.954 32.200 30.300 -0.090 0.000 1.192 44 R HN 0.705 nan 8.270 nan 0.000 0.457 45 E N 0.295 120.637 120.200 0.238 0.000 2.357 45 E HA 0.216 4.567 4.350 0.001 0.000 0.264 45 E C -1.068 175.601 176.600 0.116 0.000 1.164 45 E CA -0.681 55.834 56.400 0.192 0.000 0.893 45 E CB 1.992 31.824 29.700 0.220 0.000 1.619 45 E HN 0.582 nan 8.360 nan 0.000 0.464 49 S N 1.361 117.085 115.700 0.040 0.000 2.475 49 S HA 0.876 5.347 4.470 0.001 0.000 0.298 49 S C -1.264 173.272 174.600 -0.106 0.000 1.119 49 S CA -0.399 57.763 58.200 -0.063 0.000 1.085 49 S CB 0.801 63.988 63.200 -0.021 0.000 1.028 49 S HN 0.435 nan 8.310 nan 0.000 0.489 50 V N 4.118 123.864 119.914 -0.280 0.000 2.815 50 V HA 0.883 5.004 4.120 0.001 0.000 0.314 50 V C -0.503 175.597 176.094 0.010 0.000 1.064 50 V CA -0.506 61.672 62.300 -0.204 0.000 0.952 50 V CB 1.887 33.281 31.823 -0.715 0.000 1.020 50 V HN 0.747 nan 8.190 nan 0.000 0.439 51 V N 3.885 123.922 119.914 0.205 0.000 2.839 51 V HA 0.294 4.415 4.120 0.001 0.000 0.284 51 V C -0.439 175.867 176.094 0.353 0.000 1.397 51 V CA -0.472 61.962 62.300 0.225 0.000 0.938 51 V CB 1.697 33.598 31.823 0.129 0.000 1.112 51 V HN 1.086 nan 8.190 nan 0.000 0.443 52 Q N 5.910 125.946 119.800 0.393 0.000 2.479 52 Q HA 0.240 4.580 4.340 0.001 0.000 0.267 52 Q C -0.531 175.655 176.000 0.309 0.000 1.071 52 Q CA 0.367 56.470 55.803 0.500 0.000 0.935 52 Q CB 0.782 29.705 28.738 0.308 0.000 1.295 52 Q HN 0.748 nan 8.270 nan 0.000 0.476 53 K N 0.665 121.257 120.400 0.320 0.000 2.245 53 K HA 0.564 4.884 4.320 0.001 0.000 0.234 53 K C -1.008 175.674 176.600 0.136 0.000 1.021 53 K CA -0.340 56.066 56.287 0.199 0.000 0.898 53 K CB 1.827 34.449 32.500 0.203 0.000 1.163 53 K HN 0.911 nan 8.250 nan 0.000 0.459 54 S N -0.671 115.069 115.700 0.066 0.000 2.680 54 S HA 0.025 4.495 4.470 0.001 0.000 0.284 54 S C -0.158 174.437 174.600 -0.008 0.000 1.055 54 S CA -0.787 57.397 58.200 -0.026 0.000 0.849 54 S CB 1.089 64.146 63.200 -0.239 0.000 1.068 54 S HN 0.542 nan 8.310 nan 0.000 0.453 55 Q N 0.499 120.292 119.800 -0.011 0.000 2.576 55 Q HA 0.056 4.396 4.340 0.001 0.000 0.218 55 Q C 0.298 176.384 176.000 0.144 0.000 0.983 55 Q CA 0.973 56.807 55.803 0.052 0.000 0.920 55 Q CB -0.522 28.238 28.738 0.038 0.000 0.973 55 Q HN 0.712 nan 8.270 nan 0.000 0.528 56 H N -1.066 118.043 119.070 0.065 0.000 2.852 56 H HA 0.029 4.586 4.556 0.001 0.000 0.362 56 H C 1.293 176.707 175.328 0.143 0.000 1.122 56 H CA 0.530 56.622 56.048 0.074 0.000 1.419 56 H CB 0.687 30.473 29.762 0.041 0.000 1.401 56 H HN 0.211 nan 8.280 nan 0.000 0.609 57 R N 0.539 121.221 120.500 0.303 0.000 2.771 57 R HA 0.200 4.541 4.340 0.001 0.000 0.177 57 R C 0.932 177.459 176.300 0.378 0.000 0.937 57 R CA 0.306 56.608 56.100 0.338 0.000 1.536 57 R CB -0.237 30.146 30.300 0.139 0.000 1.696 57 R HN 0.438 nan 8.270 nan 0.000 0.550 58 A N 2.874 125.863 122.820 0.282 0.000 1.862 58 A HA -0.104 4.217 4.320 0.001 0.000 0.198 58 A C -0.354 177.387 177.584 0.261 0.000 1.529 58 A CA 1.240 53.399 52.037 0.202 0.000 1.659 58 A CB -1.638 17.426 19.000 0.107 0.000 0.666 58 A HN 0.723 nan 8.150 nan 0.000 0.657 59 H N -4.356 114.722 119.070 0.013 0.000 2.960 59 H HA 0.807 5.364 4.556 0.001 0.000 0.323 59 H C -0.265 175.071 175.328 0.015 0.000 1.326 59 H CA -0.946 55.110 56.048 0.013 0.000 1.124 59 H CB 0.458 30.231 29.762 0.017 0.000 1.853 59 H HN 0.020 nan 8.280 nan 0.000 0.536 64 S N 0.749 116.463 115.700 0.024 0.000 2.851 64 S HA 0.128 4.599 4.470 0.001 0.000 0.227 64 S C 0.298 174.910 174.600 0.019 0.000 0.958 64 S CA -0.432 57.781 58.200 0.021 0.000 0.990 64 S CB -1.075 62.136 63.200 0.018 0.000 0.790 64 S HN 0.471 nan 8.310 nan 0.000 0.509 65 R N 3.247 123.760 120.500 0.022 0.000 2.614 65 R HA -0.052 4.289 4.340 0.001 0.000 0.335 65 R C 0.585 176.890 176.300 0.009 0.000 0.859 65 R CA 0.365 56.478 56.100 0.022 0.000 1.123 65 R CB -0.372 29.940 30.300 0.020 0.000 0.887 65 R HN 0.664 nan 8.270 nan 0.000 0.407 66 E N 1.593 121.804 120.200 0.018 0.000 2.812 66 E HA -0.098 4.252 4.350 0.001 0.000 0.276 66 E C -0.261 176.320 176.600 -0.033 0.000 0.946 66 E CA -0.205 56.195 56.400 -0.001 0.000 0.971 66 E CB 0.346 30.050 29.700 0.007 0.000 0.960 66 E HN 0.305 nan 8.360 nan 0.000 0.479 67 V N 1.316 121.207 119.914 -0.039 0.000 2.583 67 V HA 0.231 4.352 4.120 0.001 0.000 0.287 67 V C -1.801 174.268 176.094 -0.042 0.000 1.051 67 V CA -1.836 60.431 62.300 -0.056 0.000 1.010 67 V CB 0.135 31.931 31.823 -0.046 0.000 0.988 67 V HN 0.721 nan 8.190 nan 0.000 0.478 68 P HA -0.024 nan 4.420 nan 0.000 0.272 68 P C 0.539 177.848 177.300 0.015 0.000 1.225 68 P CA 0.010 63.135 63.100 0.042 0.000 0.800 68 P CB 0.353 32.205 31.700 0.253 0.000 0.894 69 E N 1.633 121.838 120.200 0.010 0.000 2.320 69 E HA 0.024 4.375 4.350 0.001 0.000 0.189 69 E C -0.179 176.390 176.600 -0.051 0.000 1.100 69 E CA -0.066 56.310 56.400 -0.040 0.000 1.009 69 E CB -1.090 28.568 29.700 -0.070 0.000 1.145 69 E HN 0.384 nan 8.360 nan 0.000 0.454 70 L N 1.435 122.647 121.223 -0.017 0.000 2.653 70 L HA -0.069 4.271 4.340 0.001 0.000 0.288 70 L C 0.956 177.783 176.870 -0.072 0.000 1.243 70 L CA 0.160 54.978 54.840 -0.036 0.000 0.906 70 L CB -0.053 42.017 42.059 0.018 0.000 1.154 70 L HN 0.116 nan 8.230 nan 0.000 0.498 71 L N 5.574 126.696 121.223 -0.168 0.000 2.490 71 L HA 0.149 4.490 4.340 0.001 0.000 0.274 71 L C 0.405 177.255 176.870 -0.034 0.000 1.201 71 L CA 0.534 55.234 54.840 -0.232 0.000 0.869 71 L CB 0.070 41.755 42.059 -0.622 0.000 1.123 71 L HN 0.730 nan 8.230 nan 0.000 0.484 72 K N 2.931 123.372 120.400 0.068 0.000 2.617 72 K HA 0.739 5.060 4.320 0.001 0.000 0.293 72 K C -1.264 175.553 176.600 0.361 0.000 1.034 72 K CA -0.864 55.543 56.287 0.200 0.000 0.884 72 K CB 2.312 34.868 32.500 0.094 0.000 1.541 72 K HN 0.416 nan 8.250 nan 0.000 0.409 73 F N -2.331 117.650 119.950 0.052 0.000 3.032 73 F HA 0.502 5.030 4.527 0.001 0.000 0.331 73 F C -2.204 173.653 175.800 0.095 0.000 1.125 73 F CA -0.549 57.493 58.000 0.070 0.000 0.873 73 F CB 0.996 40.043 39.000 0.079 0.000 1.374 73 F HN 0.675 nan 8.300 nan 0.000 0.452 74 T N 0.071 114.724 114.554 0.165 0.000 2.937 74 T HA 0.690 5.041 4.350 0.001 0.000 0.297 74 T C -0.617 174.185 174.700 0.170 0.000 0.991 74 T CA -0.462 61.653 62.100 0.024 0.000 0.990 74 T CB 0.531 69.441 68.868 0.069 0.000 0.991 74 T HN 1.539 nan 8.240 nan 0.000 0.440 75 C N 2.032 121.352 119.300 0.033 0.000 2.822 75 C HA 0.902 5.363 4.460 0.001 0.000 0.341 75 C C 0.453 175.487 174.990 0.072 0.000 1.301 75 C CA -1.238 57.782 59.018 0.002 0.000 1.706 75 C CB 0.850 28.475 27.740 -0.192 0.000 2.178 75 C HN 1.012 nan 8.230 nan 0.000 0.481 76 N N 0.989 119.706 118.700 0.028 0.000 2.327 76 N HA 0.345 5.086 4.740 0.001 0.000 0.257 76 N C 0.877 176.469 175.510 0.137 0.000 1.281 76 N CA -0.011 53.072 53.050 0.054 0.000 0.942 76 N CB 0.173 38.564 38.487 -0.161 0.000 1.199 76 N HN 1.023 nan 8.380 nan 0.000 0.532 77 A N -0.984 121.960 122.820 0.207 0.000 2.067 77 A HA -0.092 4.228 4.320 0.001 0.000 0.219 77 A C 1.515 179.075 177.584 -0.039 0.000 1.158 77 A CA 1.747 53.908 52.037 0.208 0.000 0.661 77 A CB -1.137 18.076 19.000 0.354 0.000 0.801 77 A HN 0.877 nan 8.150 nan 0.000 0.452 78 T N -3.449 111.069 114.554 -0.059 0.000 3.214 78 T HA 0.162 4.513 4.350 0.001 0.000 0.264 78 T C 0.325 174.949 174.700 -0.126 0.000 1.012 78 T CA -0.396 61.642 62.100 -0.102 0.000 0.901 78 T CB -0.524 68.280 68.868 -0.107 0.000 1.070 78 T HN 0.436 nan 8.240 nan 0.000 0.561 79 H N 1.920 120.883 119.070 -0.179 0.000 2.610 79 H HA 0.334 4.891 4.556 0.001 0.000 0.336 79 H C -0.484 174.760 175.328 -0.140 0.000 1.087 79 H CA 0.012 55.951 56.048 -0.183 0.000 1.405 79 H CB 0.787 30.396 29.762 -0.256 0.000 1.460 79 H HN 0.420 nan 8.280 nan 0.000 0.538 80 E N 5.123 125.173 120.200 -0.250 0.000 2.180 80 E HA 0.141 4.491 4.350 0.001 0.000 0.283 80 E C -0.181 176.495 176.600 0.126 0.000 1.061 80 E CA -0.411 55.935 56.400 -0.090 0.000 0.861 80 E CB 0.745 30.259 29.700 -0.309 0.000 1.056 80 E HN 0.434 nan 8.360 nan 0.000 0.407 81 L N 4.385 125.602 121.223 -0.009 0.000 2.315 81 L HA 0.141 4.482 4.340 0.001 0.000 0.283 81 L C -0.249 176.486 176.870 -0.224 0.000 1.089 81 L CA -0.604 54.190 54.840 -0.077 0.000 0.833 81 L CB 0.898 42.877 42.059 -0.133 0.000 1.170 81 L HN 0.293 nan 8.230 nan 0.000 0.442 82 V N 5.830 125.641 119.914 -0.173 0.000 2.403 82 V HA 0.075 4.196 4.120 0.001 0.000 0.265 82 V C 0.493 176.383 176.094 -0.341 0.000 1.034 82 V CA -0.114 62.054 62.300 -0.220 0.000 1.036 82 V CB 0.715 32.465 31.823 -0.122 0.000 1.032 82 V HN 0.566 nan 8.190 nan 0.000 0.478 83 V N 3.841 123.471 119.914 -0.474 0.000 3.204 83 V HA 0.817 4.938 4.120 0.001 0.000 0.316 83 V C -0.342 175.463 176.094 -0.481 0.000 1.160 83 V CA -1.196 60.761 62.300 -0.572 0.000 1.044 83 V CB 2.290 33.633 31.823 -0.801 0.000 1.136 83 V HN 0.686 nan 8.190 nan 0.000 0.455 84 R N -0.856 119.328 120.500 -0.526 0.000 2.668 84 R HA 0.765 5.106 4.340 0.001 0.000 0.272 84 R C -1.508 174.779 176.300 -0.023 0.000 1.019 84 R CA -0.346 55.536 56.100 -0.363 0.000 0.894 84 R CB 2.676 32.370 30.300 -1.010 0.000 1.228 84 R HN 1.014 nan 8.270 nan 0.000 0.460 85 T N 3.448 118.291 114.554 0.481 0.000 3.032 85 T HA 0.369 4.720 4.350 0.001 0.000 0.312 85 T C -2.794 172.325 174.700 0.697 0.000 1.078 85 T CA -1.268 61.226 62.100 0.657 0.000 1.028 85 T CB 2.224 71.489 68.868 0.661 0.000 1.091 85 T HN 0.289 nan 8.240 nan 0.000 0.457 86 P HA 0.284 nan 4.420 nan 0.000 0.270 86 P C -0.502 177.044 177.300 0.410 0.000 1.223 86 P CA -0.470 62.910 63.100 0.467 0.000 0.785 86 P CB 0.573 32.490 31.700 0.363 0.000 0.923 87 R N 0.950 121.526 120.500 0.126 0.000 2.265 87 R HA 0.540 4.880 4.340 0.001 0.000 0.319 87 R C -0.187 176.181 176.300 0.113 0.000 1.006 87 R CA -0.230 55.918 56.100 0.080 0.000 0.880 87 R CB 0.742 30.848 30.300 -0.324 0.000 1.077 87 R HN 0.581 nan 8.270 nan 0.000 0.454 88 S N 0.774 116.532 115.700 0.097 0.000 2.547 88 S HA 0.511 4.982 4.470 0.001 0.000 0.281 88 S C -1.067 173.461 174.600 -0.120 0.000 1.118 88 S CA -0.858 57.258 58.200 -0.140 0.000 0.947 88 S CB 2.208 65.073 63.200 -0.558 0.000 1.053 88 S HN 0.331 nan 8.310 nan 0.000 0.482 89 V N 4.193 124.086 119.914 -0.035 0.000 2.524 89 V HA 0.726 4.847 4.120 0.001 0.000 0.297 89 V C -0.911 175.127 176.094 -0.093 0.000 1.035 89 V CA -0.615 61.603 62.300 -0.137 0.000 0.867 89 V CB 1.375 33.141 31.823 -0.095 0.000 1.004 89 V HN 1.143 nan 8.190 nan 0.000 0.426 90 R N 5.542 125.975 120.500 -0.112 0.000 2.711 90 R HA 0.745 5.086 4.340 0.001 0.000 0.284 90 R C -0.662 175.601 176.300 -0.061 0.000 0.968 90 R CA -0.993 55.061 56.100 -0.076 0.000 0.924 90 R CB 2.253 32.505 30.300 -0.079 0.000 1.162 90 R HN 0.602 nan 8.270 nan 0.000 0.465 91 R N 0.812 121.286 120.500 -0.045 0.000 2.643 91 R HA 0.600 4.940 4.340 0.001 0.000 0.272 91 R C -1.041 175.257 176.300 -0.003 0.000 0.995 91 R CA -1.024 55.053 56.100 -0.037 0.000 1.032 91 R CB 1.440 31.708 30.300 -0.055 0.000 1.126 91 R HN 0.487 nan 8.270 nan 0.000 0.505 92 L N -0.422 120.819 121.223 0.031 0.000 2.612 92 L HA 0.298 4.639 4.340 0.001 0.000 0.256 92 L C -1.509 175.437 176.870 0.127 0.000 0.949 92 L CA -0.114 54.762 54.840 0.061 0.000 0.867 92 L CB 2.488 44.565 42.059 0.030 0.000 1.417 92 L HN 0.532 nan 8.230 nan 0.000 0.414 93 S N 3.694 119.465 115.700 0.118 0.000 2.596 93 S HA 0.846 5.317 4.470 0.001 0.000 0.318 93 S C -0.877 173.743 174.600 0.034 0.000 1.097 93 S CA -0.660 57.599 58.200 0.098 0.000 1.080 93 S CB 0.433 63.700 63.200 0.112 0.000 0.991 93 S HN 0.800 nan 8.310 nan 0.000 0.471 94 R N 2.008 122.526 120.500 0.030 0.000 2.855 94 R HA 0.775 5.115 4.340 0.001 0.000 0.266 94 R C -1.531 174.810 176.300 0.068 0.000 1.034 94 R CA -0.872 55.250 56.100 0.036 0.000 0.944 94 R CB 1.141 31.462 30.300 0.034 0.000 1.219 94 R HN 0.443 nan 8.270 nan 0.000 0.474 95 T N 1.431 116.021 114.554 0.059 0.000 2.886 95 T HA 0.613 4.964 4.350 0.001 0.000 0.292 95 T C -0.735 174.016 174.700 0.086 0.000 1.012 95 T CA -0.688 61.454 62.100 0.069 0.000 0.982 95 T CB 1.184 70.052 68.868 -0.001 0.000 1.018 95 T HN 0.616 nan 8.240 nan 0.000 0.451 96 I N -1.088 119.567 120.570 0.141 0.000 2.842 96 I HA 0.730 4.900 4.170 0.001 0.000 0.297 96 I C -0.041 176.145 176.117 0.115 0.000 1.380 96 I CA -1.322 60.045 61.300 0.111 0.000 1.018 96 I CB 1.949 40.011 38.000 0.102 0.000 1.311 96 I HN 0.547 nan 8.210 nan 0.000 0.439 97 K N 2.940 123.380 120.400 0.066 0.000 3.088 97 K HA -0.124 4.197 4.320 0.001 0.000 0.273 97 K C 0.939 177.552 176.600 0.022 0.000 1.111 97 K CA 1.639 57.956 56.287 0.049 0.000 0.803 97 K CB -1.435 31.110 32.500 0.075 0.000 1.226 97 K HN 2.146 nan 8.250 nan 0.000 0.485 98 G N -1.522 107.281 108.800 0.005 0.000 4.165 98 G HA2 -0.322 3.639 3.960 0.001 0.000 0.211 98 G HA3 -0.322 3.639 3.960 0.001 0.000 0.211 98 G C 0.177 175.029 174.900 -0.080 0.000 1.469 98 G CA -0.000 45.081 45.100 -0.031 0.000 0.964 98 G HN 0.968 nan 8.290 nan 0.000 0.613 99 V N 3.962 123.794 119.914 -0.137 0.000 2.637 99 V HA 0.547 4.668 4.120 0.001 0.000 0.296 99 V C 0.470 176.289 176.094 -0.458 0.000 1.046 99 V CA 0.524 62.617 62.300 -0.344 0.000 1.066 99 V CB 1.006 32.514 31.823 -0.525 0.000 0.968 99 V HN 0.738 nan 8.190 nan 0.000 0.483 100 E N 6.148 126.089 120.200 -0.431 0.000 2.204 100 E HA 0.565 4.916 4.350 0.001 0.000 0.276 100 E C -1.564 174.781 176.600 -0.425 0.000 0.974 100 E CA -0.600 55.639 56.400 -0.268 0.000 0.815 100 E CB 1.470 31.059 29.700 -0.185 0.000 1.119 100 E HN 0.698 nan 8.360 nan 0.000 0.393 101 Y N 0.353 120.529 120.300 -0.206 0.000 2.876 101 Y HA 0.530 5.081 4.550 0.001 0.000 0.317 101 Y C -0.686 175.002 175.900 -0.354 0.000 1.369 101 Y CA -1.618 56.323 58.100 -0.265 0.000 1.101 101 Y CB 0.633 39.008 38.460 -0.143 0.000 1.346 101 Y HN 0.421 nan 8.280 nan 0.000 0.505 102 F N 0.516 120.424 119.950 -0.069 0.000 2.458 102 F HA 0.554 5.082 4.527 0.002 0.000 0.330 102 F C 0.048 175.686 175.800 -0.269 0.000 1.082 102 F CA -1.228 56.639 58.000 -0.220 0.000 0.995 102 F CB 1.739 40.489 39.000 -0.417 0.000 1.170 102 F HN 0.373 nan 8.300 nan 0.000 0.478 103 E N 0.669 120.902 120.200 0.055 0.000 2.336 103 E HA 0.703 5.054 4.350 0.001 0.000 0.267 103 E C -1.601 174.969 176.600 -0.050 0.000 0.906 103 E CA -0.753 55.623 56.400 -0.041 0.000 0.781 103 E CB 2.623 32.305 29.700 -0.031 0.000 1.261 103 E HN 0.340 nan 8.360 nan 0.000 0.436 104 V N 3.605 123.480 119.914 -0.064 0.000 2.467 104 V HA 0.234 4.355 4.120 0.001 0.000 0.260 104 V C -0.605 175.443 176.094 -0.076 0.000 0.963 104 V CA -0.588 61.668 62.300 -0.072 0.000 0.856 104 V CB 0.080 31.861 31.823 -0.070 0.000 1.087 104 V HN 0.552 nan 8.190 nan 0.000 0.467 105 I N 3.853 124.389 120.570 -0.058 0.000 2.618 105 I HA 0.445 4.615 4.170 0.001 0.000 0.284 105 I C 0.872 176.941 176.117 -0.081 0.000 1.146 105 I CA 1.202 62.483 61.300 -0.031 0.000 1.425 105 I CB 0.930 38.938 38.000 0.012 0.000 1.383 105 I HN 0.767 nan 8.210 nan 0.000 0.562 106 T N 2.713 117.246 114.554 -0.035 0.000 2.889 106 T HA 0.538 4.889 4.350 0.001 0.000 0.315 106 T C -0.728 174.108 174.700 0.226 0.000 1.291 106 T CA -0.772 61.264 62.100 -0.107 0.000 1.028 106 T CB 0.930 69.552 68.868 -0.410 0.000 1.235 106 T HN -0.003 nan 8.240 nan 0.000 0.491 107 F N 1.559 121.510 119.950 0.001 0.000 2.411 107 F HA 0.731 5.259 4.527 0.001 0.000 0.355 107 F C 0.828 176.763 175.800 0.226 0.000 1.117 107 F CA -1.049 57.030 58.000 0.132 0.000 1.139 107 F CB 0.907 40.080 39.000 0.288 0.000 1.120 107 F HN 0.758 nan 8.300 nan 0.000 0.493 111 Q N -0.802 118.935 119.800 -0.104 0.000 2.615 111 Q HA 0.701 5.042 4.340 0.001 0.000 0.298 111 Q C -1.379 174.581 176.000 -0.068 0.000 1.023 111 Q CA -0.897 54.860 55.803 -0.077 0.000 0.768 111 Q CB 3.102 31.806 28.738 -0.056 0.000 1.500 111 Q HN 0.583 nan 8.270 nan 0.000 0.441 112 K N 0.590 120.959 120.400 -0.051 0.000 2.589 112 K HA 0.267 4.588 4.320 0.001 0.000 0.265 112 K C -1.659 174.921 176.600 -0.033 0.000 0.935 112 K CA -0.744 55.516 56.287 -0.045 0.000 0.850 112 K CB 1.395 33.865 32.500 -0.050 0.000 1.372 112 K HN 0.207 nan 8.250 nan 0.000 0.420 113 K N 2.039 122.421 120.400 -0.030 0.000 2.276 113 K HA 0.362 4.683 4.320 0.001 0.000 0.285 113 K C -0.519 176.068 176.600 -0.021 0.000 1.062 113 K CA -0.267 56.006 56.287 -0.024 0.000 0.918 113 K CB 1.257 33.744 32.500 -0.021 0.000 1.055 113 K HN 0.701 nan 8.250 nan 0.000 0.477 114 A N 5.485 128.294 122.820 -0.019 0.000 2.425 114 A HA 0.268 4.589 4.320 0.001 0.000 0.249 114 A C -1.366 176.210 177.584 -0.013 0.000 1.084 114 A CA -1.013 51.014 52.037 -0.016 0.000 0.781 114 A CB 0.095 19.085 19.000 -0.016 0.000 1.019 114 A HN 0.425 nan 8.150 nan 0.000 0.490 115 P HA -0.204 nan 4.420 nan 0.000 0.217 115 P C 0.922 178.219 177.300 -0.005 0.000 1.148 115 P CA 1.653 64.749 63.100 -0.007 0.000 0.834 115 P CB 0.089 31.787 31.700 -0.003 0.000 0.783 116 D N -1.436 118.961 120.400 -0.004 0.000 2.371 116 D HA -0.051 4.589 4.640 0.001 0.000 0.234 116 D C 1.429 177.725 176.300 -0.006 0.000 1.049 116 D CA 1.070 55.068 54.000 -0.003 0.000 0.907 116 D CB -0.621 40.178 40.800 -0.002 0.000 0.891 116 D HN 0.249 nan 8.370 nan 0.000 0.531 117 G N 0.899 109.694 108.800 -0.009 0.000 2.299 117 G HA2 -0.336 3.625 3.960 0.001 0.000 0.237 117 G HA3 -0.336 3.625 3.960 0.001 0.000 0.237 117 G C 0.618 175.511 174.900 -0.012 0.000 1.027 117 G CA 0.140 45.233 45.100 -0.010 0.000 0.619 117 G HN 0.481 nan 8.290 nan 0.000 0.513 118 R N 0.162 120.654 120.500 -0.013 0.000 2.862 118 R HA 0.353 4.694 4.340 0.001 0.000 0.267 118 R C 0.451 176.741 176.300 -0.017 0.000 0.995 118 R CA 0.681 56.772 56.100 -0.016 0.000 1.140 118 R CB 0.173 30.462 30.300 -0.018 0.000 1.031 118 R HN 0.357 nan 8.270 nan 0.000 0.459 119 I N 2.919 123.478 120.570 -0.018 0.000 2.347 119 I HA 0.150 4.320 4.170 0.001 0.000 0.283 119 I C -0.379 175.726 176.117 -0.020 0.000 1.058 119 I CA -0.726 60.562 61.300 -0.020 0.000 1.202 119 I CB 1.081 39.070 38.000 -0.018 0.000 1.386 119 I HN 0.261 nan 8.210 nan 0.000 0.475 120 V N 2.253 122.156 119.914 -0.020 0.000 2.394 120 V HA 0.450 4.571 4.120 0.001 0.000 0.282 120 V C 0.114 176.199 176.094 -0.014 0.000 1.031 120 V CA -0.635 61.658 62.300 -0.012 0.000 0.881 120 V CB 1.449 33.268 31.823 -0.007 0.000 0.982 120 V HN 0.572 nan 8.190 nan 0.000 0.451 121 E N 4.839 125.038 120.200 -0.001 0.000 2.129 121 E HA 0.468 4.819 4.350 0.001 0.000 0.283 121 E C -0.803 175.786 176.600 -0.019 0.000 1.080 121 E CA -0.290 56.093 56.400 -0.027 0.000 0.867 121 E CB 1.393 31.083 29.700 -0.016 0.000 1.056 121 E HN 0.722 nan 8.360 nan 0.000 0.404 122 L N 0.084 121.227 121.223 -0.134 0.000 2.309 122 L HA 0.583 4.923 4.340 0.001 0.000 0.240 122 L C -0.528 176.020 176.870 -0.537 0.000 1.136 122 L CA -1.258 53.441 54.840 -0.235 0.000 0.985 122 L CB -0.118 41.957 42.059 0.027 0.000 1.572 122 L HN 0.012 nan 8.230 nan 0.000 0.426 123 V N 0.820 120.334 119.914 -0.666 0.000 2.481 123 V HA 0.645 4.766 4.120 0.001 0.000 0.286 123 V C -0.029 175.801 176.094 -0.440 0.000 1.042 123 V CA -0.523 61.341 62.300 -0.726 0.000 0.928 123 V CB 1.004 32.263 31.823 -0.940 0.000 0.986 123 V HN 0.697 nan 8.190 nan 0.000 0.462 124 K N 2.823 122.996 120.400 -0.379 0.000 2.443 124 K HA 0.500 4.821 4.320 0.001 0.000 0.251 124 K C -0.788 175.681 176.600 -0.218 0.000 0.972 124 K CA -0.806 55.321 56.287 -0.267 0.000 0.833 124 K CB 2.865 35.257 32.500 -0.180 0.000 1.317 124 K HN 0.650 nan 8.250 nan 0.000 0.441 125 E N 2.003 122.107 120.200 -0.159 0.000 2.130 125 E HA 0.246 4.597 4.350 0.001 0.000 0.284 125 E C -1.092 175.516 176.600 0.015 0.000 1.018 125 E CA -0.461 55.944 56.400 0.009 0.000 0.817 125 E CB 1.120 30.850 29.700 0.050 0.000 1.078 125 E HN 0.181 nan 8.360 nan 0.000 0.396 126 V N 3.276 123.215 119.914 0.040 0.000 2.628 126 V HA 0.386 4.506 4.120 0.001 0.000 0.306 126 V C -0.145 175.943 176.094 -0.009 0.000 1.045 126 V CA -0.564 61.734 62.300 -0.003 0.000 0.905 126 V CB 1.887 33.700 31.823 -0.017 0.000 0.997 126 V HN 0.707 nan 8.190 nan 0.000 0.436 127 S N 4.678 120.364 115.700 -0.023 0.000 2.538 127 S HA 0.751 5.222 4.470 0.001 0.000 0.288 127 S C -1.213 173.363 174.600 -0.041 0.000 1.108 127 S CA -0.881 57.298 58.200 -0.035 0.000 0.971 127 S CB 2.022 65.201 63.200 -0.035 0.000 1.041 127 S HN 0.531 nan 8.310 nan 0.000 0.483 128 K N 2.171 122.546 120.400 -0.041 0.000 2.378 128 K HA 0.700 5.021 4.320 0.001 0.000 0.252 128 K C -1.101 175.471 176.600 -0.046 0.000 0.931 128 K CA -0.585 55.690 56.287 -0.021 0.000 0.794 128 K CB 1.972 34.480 32.500 0.013 0.000 1.181 128 K HN 0.926 nan 8.250 nan 0.000 0.425 129 S N 1.054 116.727 115.700 -0.046 0.000 2.537 129 S HA 0.734 5.204 4.470 0.001 0.000 0.270 129 S C -1.258 173.347 174.600 0.009 0.000 1.142 129 S CA -1.027 57.099 58.200 -0.125 0.000 0.870 129 S CB 1.008 64.083 63.200 -0.208 0.000 1.112 129 S HN 0.550 nan 8.310 nan 0.000 0.466 130 Y N -2.351 118.051 120.300 0.170 0.000 2.588 130 Y HA 0.853 5.404 4.550 0.001 0.000 0.343 130 Y C -3.591 172.530 175.900 0.368 0.000 1.065 130 Y CA -3.120 55.127 58.100 0.244 0.000 1.038 130 Y CB 0.129 38.691 38.460 0.171 0.000 1.297 130 Y HN 0.399 nan 8.280 nan 0.000 0.467 131 P HA 0.170 nan 4.420 nan 0.000 0.266 131 P C 0.946 178.310 177.300 0.106 0.000 1.195 131 P CA 0.132 63.291 63.100 0.097 0.000 0.768 131 P CB 0.821 32.490 31.700 -0.051 0.000 0.838 132 I N 0.483 120.929 120.570 -0.207 0.000 2.399 132 I HA -0.322 3.849 4.170 0.001 0.000 0.254 132 I C 1.872 177.997 176.117 0.014 0.000 1.146 132 I CA 1.451 62.566 61.300 -0.310 0.000 1.412 132 I CB -0.940 36.772 38.000 -0.482 0.000 1.076 132 I HN 0.351 nan 8.210 nan 0.000 0.432 133 S N 1.101 116.801 115.700 0.000 0.000 2.381 133 S HA -0.288 4.183 4.470 0.001 0.000 0.230 133 S C 1.830 176.478 174.600 0.080 0.000 1.052 133 S CA 1.986 60.201 58.200 0.026 0.000 1.068 133 S CB -0.526 62.674 63.200 0.000 0.000 0.918 133 S HN 0.585 nan 8.310 nan 0.000 0.448 134 E N 0.772 121.049 120.200 0.127 0.000 2.110 134 E HA 0.203 4.554 4.350 0.001 0.000 0.193 134 E C 0.947 177.613 176.600 0.109 0.000 0.988 134 E CA 0.474 56.911 56.400 0.062 0.000 0.804 134 E CB -0.204 29.446 29.700 -0.083 0.000 0.745 134 E HN 0.595 nan 8.360 nan 0.000 0.458 135 G N 0.692 109.676 108.800 0.307 0.000 3.069 135 G HA2 -0.111 3.850 3.960 0.001 0.000 0.686 135 G HA3 -0.111 3.850 3.960 0.001 0.000 0.686 135 G C -2.212 172.911 174.900 0.371 0.000 1.161 135 G CA -0.424 44.873 45.100 0.329 0.000 0.804 135 G HN -0.121 nan 8.290 nan 0.000 0.608 136 P HA -0.199 nan 4.420 nan 0.000 0.229 136 P C 1.342 178.583 177.300 -0.098 0.000 1.147 136 P CA 1.744 64.655 63.100 -0.315 0.000 0.766 136 P CB 0.009 31.429 31.700 -0.466 0.000 0.775 137 E N 1.205 121.412 120.200 0.012 0.000 2.023 137 E HA -0.209 4.142 4.350 0.001 0.000 0.196 137 E C 2.139 178.740 176.600 0.002 0.000 1.003 137 E CA 0.712 57.106 56.400 -0.009 0.000 0.809 137 E CB -0.826 28.866 29.700 -0.012 0.000 0.755 137 E HN 0.188 nan 8.360 nan 0.000 0.449 138 R N 1.028 121.523 120.500 -0.008 0.000 2.113 138 R HA -0.190 4.151 4.340 0.001 0.000 0.244 138 R C 2.592 178.978 176.300 0.144 0.000 1.142 138 R CA 1.540 57.645 56.100 0.008 0.000 0.953 138 R CB -0.684 29.493 30.300 -0.205 0.000 0.860 138 R HN 0.324 nan 8.270 nan 0.000 0.438 139 A N 2.084 125.058 122.820 0.256 0.000 1.834 139 A HA -0.215 4.106 4.320 0.001 0.000 0.216 139 A C 1.748 179.329 177.584 -0.005 0.000 1.203 139 A CA 1.719 53.810 52.037 0.090 0.000 0.621 139 A CB -0.745 18.183 19.000 -0.119 0.000 0.841 139 A HN 0.312 nan 8.150 nan 0.000 0.446 140 N N 0.082 118.746 118.700 -0.060 0.000 2.314 140 N HA -0.201 4.540 4.740 0.001 0.000 0.191 140 N C 1.596 177.098 175.510 -0.014 0.000 1.007 140 N CA 1.391 54.409 53.050 -0.053 0.000 0.883 140 N CB -0.336 38.113 38.487 -0.064 0.000 0.969 140 N HN 0.695 nan 8.380 nan 0.000 0.441 141 E N 1.444 121.646 120.200 0.004 0.000 2.028 141 E HA -0.063 4.287 4.350 0.001 0.000 0.190 141 E C 2.141 178.758 176.600 0.028 0.000 0.984 141 E CA 0.513 56.922 56.400 0.014 0.000 0.800 141 E CB -0.213 29.496 29.700 0.015 0.000 0.758 141 E HN 0.306 nan 8.360 nan 0.000 0.448 142 L N 0.656 121.902 121.223 0.038 0.000 2.012 142 L HA -0.187 4.154 4.340 0.001 0.000 0.210 142 L C 2.819 179.730 176.870 0.069 0.000 1.073 142 L CA 1.091 55.961 54.840 0.051 0.000 0.748 142 L CB -0.686 41.397 42.059 0.039 0.000 0.891 142 L HN -0.010 nan 8.230 nan 0.000 0.431 143 V N -0.045 119.894 119.914 0.040 0.000 2.363 143 V HA -0.354 3.767 4.120 0.001 0.000 0.254 143 V C 2.336 178.491 176.094 0.103 0.000 1.074 143 V CA 2.242 64.577 62.300 0.058 0.000 1.069 143 V CB -0.549 31.281 31.823 0.010 0.000 0.659 143 V HN 0.467 nan 8.190 nan 0.000 0.455 144 E N -0.850 119.387 120.200 0.061 0.000 2.166 144 E HA -0.035 4.316 4.350 0.001 0.000 0.192 144 E C 2.193 178.825 176.600 0.054 0.000 0.967 144 E CA 0.768 57.194 56.400 0.044 0.000 0.840 144 E CB -0.154 29.554 29.700 0.015 0.000 0.795 144 E HN 0.407 nan 8.360 nan 0.000 0.470 145 S N -0.668 115.072 115.700 0.066 0.000 2.571 145 S HA -0.154 4.317 4.470 0.001 0.000 0.245 145 S C 0.989 175.661 174.600 0.120 0.000 0.976 145 S CA 0.773 59.014 58.200 0.068 0.000 0.954 145 S CB -0.065 63.172 63.200 0.062 0.000 0.756 145 S HN 0.383 nan 8.310 nan 0.000 0.535 146 Y N 0.703 120.995 120.300 -0.013 0.000 2.740 146 Y HA 0.376 4.927 4.550 0.001 0.000 0.257 146 Y C 1.963 177.841 175.900 -0.036 0.000 1.064 146 Y CA 0.347 58.438 58.100 -0.015 0.000 1.351 146 Y CB -0.459 37.997 38.460 -0.007 0.000 1.439 146 Y HN -0.019 nan 8.280 nan 0.000 0.488 147 R N 0.828 121.299 120.500 -0.048 0.000 2.153 147 R HA -0.196 4.145 4.340 0.001 0.000 0.252 147 R C 0.864 177.056 176.300 -0.180 0.000 1.158 147 R CA 1.833 57.834 56.100 -0.166 0.000 0.975 147 R CB -0.305 29.975 30.300 -0.034 0.000 0.871 147 R HN 0.145 nan 8.270 nan 0.000 0.450 148 K N -0.192 120.146 120.400 -0.103 0.000 2.805 148 K HA 0.245 4.566 4.320 0.001 0.000 0.227 148 K C -0.070 176.478 176.600 -0.087 0.000 1.207 148 K CA -0.108 56.126 56.287 -0.088 0.000 1.153 148 K CB 0.776 33.249 32.500 -0.044 0.000 1.688 148 K HN 0.108 nan 8.250 nan 0.000 0.467 149 A N 0.114 122.844 122.820 -0.151 0.000 1.933 149 A HA 0.191 4.512 4.320 0.001 0.000 0.198 149 A C 0.290 177.796 177.584 -0.129 0.000 1.617 149 A CA 0.074 52.042 52.037 -0.115 0.000 1.039 149 A CB 0.660 19.591 19.000 -0.115 0.000 1.066 149 A HN 0.341 nan 8.150 nan 0.000 0.484 150 S N -0.872 114.706 115.700 -0.203 0.000 2.541 150 S HA 0.374 4.845 4.470 0.001 0.000 0.271 150 S C -0.068 174.404 174.600 -0.214 0.000 1.133 150 S CA -0.524 57.566 58.200 -0.184 0.000 0.876 150 S CB 0.977 64.059 63.200 -0.196 0.000 1.105 150 S HN 0.273 nan 8.310 nan 0.000 0.470 151 N N 2.572 121.171 118.700 -0.168 0.000 2.058 151 N HA -0.047 4.693 4.740 0.001 0.000 0.191 151 N C -0.050 175.317 175.510 -0.237 0.000 1.037 151 N CA 1.144 54.092 53.050 -0.169 0.000 0.848 151 N CB -0.524 37.892 38.487 -0.118 0.000 1.021 151 N HN 0.583 nan 8.380 nan 0.000 0.422 152 K N 0.718 120.947 120.400 -0.285 0.000 2.382 152 K HA 0.234 4.554 4.320 0.001 0.000 0.275 152 K C 0.679 176.949 176.600 -0.549 0.000 1.009 152 K CA -0.092 55.906 56.287 -0.481 0.000 0.970 152 K CB 0.669 32.868 32.500 -0.503 0.000 0.934 152 K HN 0.115 nan 8.250 nan 0.000 0.479 153 A N 3.066 125.508 122.820 -0.630 0.000 2.238 153 A HA 0.033 4.353 4.320 0.001 0.000 0.208 153 A C -0.423 176.991 177.584 -0.283 0.000 1.177 153 A CA 0.582 52.382 52.037 -0.395 0.000 0.804 153 A CB -0.497 18.367 19.000 -0.227 0.000 0.823 153 A HN 0.662 nan 8.150 nan 0.000 0.482 154 Y N -5.081 115.156 120.300 -0.106 0.000 2.597 154 Y HA 0.748 5.298 4.550 0.002 0.000 0.340 154 Y C -1.034 174.822 175.900 -0.074 0.000 1.097 154 Y CA -3.384 54.702 58.100 -0.023 0.000 1.037 154 Y CB -0.006 38.556 38.460 0.169 0.000 1.305 154 Y HN -0.091 nan 8.280 nan 0.000 0.463 155 F N 1.041 121.246 119.950 0.424 0.000 2.379 155 F HA 0.477 5.005 4.527 0.001 0.000 0.332 155 F C 0.421 176.459 175.800 0.397 0.000 1.096 155 F CA -0.468 57.714 58.000 0.303 0.000 1.105 155 F CB 1.526 40.591 39.000 0.107 0.000 1.189 155 F HN 0.630 nan 8.300 nan 0.000 0.515 156 E N 3.648 124.170 120.200 0.537 0.000 2.489 156 E HA 0.214 4.565 4.350 0.001 0.000 0.232 156 E C -1.264 175.566 176.600 0.384 0.000 0.990 156 E CA -0.443 56.172 56.400 0.357 0.000 0.768 156 E CB 0.572 30.414 29.700 0.237 0.000 1.270 156 E HN 0.610 nan 8.360 nan 0.000 0.423 157 W N 2.258 123.570 121.300 0.020 0.000 3.164 157 W HA 0.688 5.348 4.660 0.001 0.000 0.325 157 W C -0.994 175.483 176.519 -0.070 0.000 1.228 157 W CA -0.773 56.558 57.345 -0.024 0.000 1.024 157 W CB 0.618 30.054 29.460 -0.039 0.000 1.534 157 W HN 0.109 nan 8.180 nan 0.000 0.614 158 T N 1.005 115.413 114.554 -0.243 0.000 2.887 158 T HA 0.712 5.062 4.350 0.001 0.000 0.288 158 T C -1.197 173.232 174.700 -0.452 0.000 1.021 158 T CA -0.722 61.114 62.100 -0.441 0.000 1.000 158 T CB 1.946 70.638 68.868 -0.293 0.000 1.034 158 T HN 0.797 nan 8.240 nan 0.000 0.467 159 I N 0.745 121.049 120.570 -0.442 0.000 2.752 159 I HA 0.409 4.580 4.170 0.001 0.000 0.295 159 I C -1.125 174.877 176.117 -0.192 0.000 1.219 159 I CA -0.879 60.267 61.300 -0.256 0.000 1.030 159 I CB 2.398 40.248 38.000 -0.249 0.000 1.259 159 I HN 0.756 nan 8.210 nan 0.000 0.423 160 E N 4.654 124.767 120.200 -0.144 0.000 2.338 160 E HA 0.326 4.676 4.350 0.001 0.000 0.272 160 E C 0.991 177.474 176.600 -0.196 0.000 1.029 160 E CA 0.437 56.750 56.400 -0.144 0.000 0.872 160 E CB 1.574 31.196 29.700 -0.130 0.000 1.015 160 E HN 0.699 nan 8.360 nan 0.000 0.417 161 A N 4.783 127.453 122.820 -0.251 0.000 1.909 161 A HA -0.357 3.964 4.320 0.001 0.000 0.221 161 A C 1.957 179.181 177.584 -0.600 0.000 1.223 161 A CA 2.500 54.266 52.037 -0.453 0.000 0.658 161 A CB -0.744 17.863 19.000 -0.655 0.000 0.831 161 A HN 0.842 nan 8.150 nan 0.000 0.462 162 R N -1.067 119.082 120.500 -0.584 0.000 2.249 162 R HA -0.119 4.222 4.340 0.001 0.000 0.230 162 R C 0.399 176.602 176.300 -0.161 0.000 1.121 162 R CA 1.730 57.623 56.100 -0.345 0.000 0.997 162 R CB -0.501 29.725 30.300 -0.123 0.000 0.867 162 R HN 0.446 nan 8.270 nan 0.000 0.465 163 D N 0.521 120.831 120.400 -0.150 0.000 2.367 163 D HA 0.003 4.644 4.640 0.001 0.000 0.207 163 D C 1.700 177.960 176.300 -0.067 0.000 1.034 163 D CA 0.052 54.004 54.000 -0.080 0.000 0.861 163 D CB 0.121 40.886 40.800 -0.059 0.000 0.943 163 D HN 0.145 nan 8.370 nan 0.000 0.515 164 L N 1.022 122.184 121.223 -0.103 0.000 2.137 164 L HA -0.220 4.121 4.340 0.001 0.000 0.213 164 L C 2.294 179.140 176.870 -0.041 0.000 1.085 164 L CA 1.227 56.026 54.840 -0.067 0.000 0.760 164 L CB -0.266 41.741 42.059 -0.087 0.000 0.893 164 L HN -0.077 nan 8.230 nan 0.000 0.434 165 S N -1.193 114.483 115.700 -0.039 0.000 2.402 165 S HA -0.126 4.344 4.470 0.001 0.000 0.229 165 S C 1.882 176.466 174.600 -0.026 0.000 1.021 165 S CA 0.864 59.048 58.200 -0.025 0.000 0.974 165 S CB -0.238 62.956 63.200 -0.009 0.000 0.800 165 S HN 0.330 nan 8.310 nan 0.000 0.484 166 L N 1.592 122.800 121.223 -0.025 0.000 2.189 166 L HA 0.018 4.359 4.340 0.001 0.000 0.214 166 L C 0.922 177.774 176.870 -0.031 0.000 1.097 166 L CA 1.045 55.870 54.840 -0.025 0.000 0.764 166 L CB -1.014 41.033 42.059 -0.019 0.000 0.900 166 L HN 0.355 nan 8.230 nan 0.000 0.436 167 L N -0.288 120.922 121.223 -0.022 0.000 2.416 167 L HA 0.219 4.560 4.340 0.001 0.000 0.272 167 L C 1.201 178.036 176.870 -0.058 0.000 1.161 167 L CA -0.182 54.640 54.840 -0.030 0.000 0.845 167 L CB 0.018 42.081 42.059 0.006 0.000 1.119 167 L HN 0.173 nan 8.230 nan 0.000 0.464 168 G N 1.618 110.363 108.800 -0.091 0.000 2.667 168 G HA2 0.135 4.096 3.960 0.001 0.000 0.250 168 G HA3 0.135 4.096 3.960 0.001 0.000 0.250 168 G C 0.845 175.692 174.900 -0.089 0.000 1.212 168 G CA -0.369 44.667 45.100 -0.107 0.000 0.874 168 G HN 0.718 nan 8.290 nan 0.000 0.561 169 S N -0.368 115.268 115.700 -0.106 0.000 2.378 169 S HA -0.174 4.297 4.470 0.001 0.000 0.221 169 S C 1.942 176.577 174.600 0.058 0.000 1.037 169 S CA 1.841 60.011 58.200 -0.051 0.000 1.069 169 S CB -0.680 62.470 63.200 -0.084 0.000 1.006 169 S HN 0.693 nan 8.310 nan 0.000 0.423 170 H N -0.199 118.877 119.070 0.011 0.000 2.321 170 H HA -0.107 4.449 4.556 0.001 0.000 0.295 170 H C 2.163 177.528 175.328 0.061 0.000 1.102 170 H CA 1.398 57.498 56.048 0.086 0.000 1.266 170 H CB -0.260 29.613 29.762 0.184 0.000 1.363 170 H HN 0.156 nan 8.280 nan 0.000 0.492 171 V N 0.774 120.669 119.914 -0.032 0.000 2.295 171 V HA -0.274 3.847 4.120 0.001 0.000 0.246 171 V C 2.512 178.624 176.094 0.029 0.000 1.049 171 V CA 2.019 64.198 62.300 -0.203 0.000 1.024 171 V CB -0.470 31.133 31.823 -0.365 0.000 0.648 171 V HN 0.278 nan 8.190 nan 0.000 0.447 172 R N 1.022 121.531 120.500 0.016 0.000 2.115 172 R HA -0.235 4.106 4.340 0.001 0.000 0.239 172 R C 2.265 178.585 176.300 0.033 0.000 1.133 172 R CA 2.318 58.428 56.100 0.017 0.000 0.935 172 R CB -0.741 29.542 30.300 -0.028 0.000 0.853 172 R HN 0.440 nan 8.270 nan 0.000 0.433 173 K N -0.739 119.681 120.400 0.033 0.000 2.074 173 K HA -0.064 4.257 4.320 0.001 0.000 0.209 173 K C 1.240 177.866 176.600 0.042 0.000 1.048 173 K CA 1.589 57.868 56.287 -0.012 0.000 0.926 173 K CB -0.286 32.206 32.500 -0.014 0.000 0.713 173 K HN 0.343 nan 8.250 nan 0.000 0.444 174 A N 1.009 123.945 122.820 0.193 0.000 2.324 174 A HA 0.059 4.380 4.320 0.001 0.000 0.240 174 A C -0.419 177.498 177.584 0.555 0.000 1.347 174 A CA 0.301 52.561 52.037 0.372 0.000 1.036 174 A CB -0.209 19.087 19.000 0.494 0.000 0.917 174 A HN 0.143 nan 8.150 nan 0.000 0.519 175 T N 0.352 115.200 114.554 0.490 0.000 2.841 175 T HA 0.583 4.934 4.350 0.001 0.000 0.285 175 T C -0.797 174.227 174.700 0.540 0.000 0.991 175 T CA -0.305 62.085 62.100 0.483 0.000 0.966 175 T CB 0.941 69.985 68.868 0.292 0.000 0.962 175 T HN 0.406 nan 8.240 nan 0.000 0.438 176 Y N 0.262 120.688 120.300 0.209 0.000 2.665 176 Y HA 0.813 5.363 4.550 0.001 0.000 0.336 176 Y C -0.396 175.442 175.900 -0.103 0.000 1.085 176 Y CA -1.555 56.596 58.100 0.085 0.000 1.096 176 Y CB 1.070 39.299 38.460 -0.386 0.000 1.301 176 Y HN 0.464 nan 8.280 nan 0.000 0.493 177 Q N 0.159 119.678 119.800 -0.468 0.000 2.418 177 Q HA 0.716 5.057 4.340 0.001 0.000 0.276 177 Q C -0.992 174.705 176.000 -0.504 0.000 1.081 177 Q CA -1.038 54.306 55.803 -0.765 0.000 0.864 177 Q CB 2.614 30.619 28.738 -1.221 0.000 1.384 177 Q HN 0.934 nan 8.270 nan 0.000 0.467 178 T N -2.049 112.408 114.554 -0.162 0.000 2.883 178 T HA 0.677 5.028 4.350 0.001 0.000 0.296 178 T C -1.239 173.632 174.700 0.284 0.000 1.117 178 T CA -0.705 61.464 62.100 0.116 0.000 1.006 178 T CB 0.917 69.738 68.868 -0.079 0.000 1.191 178 T HN 0.553 nan 8.240 nan 0.000 0.508 179 Y N -0.555 119.838 120.300 0.154 0.000 2.562 179 Y HA 0.925 5.476 4.550 0.002 0.000 0.343 179 Y C -0.507 175.397 175.900 0.007 0.000 1.025 179 Y CA -1.709 56.410 58.100 0.032 0.000 1.082 179 Y CB 1.152 39.586 38.460 -0.043 0.000 1.264 179 Y HN 1.020 nan 8.280 nan 0.000 0.478 180 A N 2.242 125.178 122.820 0.193 0.000 2.384 180 A HA 0.813 5.134 4.320 0.001 0.000 0.312 180 A C -2.943 174.722 177.584 0.135 0.000 1.113 180 A CA -2.269 49.828 52.037 0.100 0.000 0.779 180 A CB 1.269 20.295 19.000 0.042 0.000 1.307 180 A HN 0.616 nan 8.150 nan 0.000 0.436 181 P HA 0.176 nan 4.420 nan 0.000 0.274 181 P C -0.393 176.943 177.300 0.059 0.000 1.231 181 P CA -0.122 63.029 63.100 0.085 0.000 0.790 181 P CB 0.593 32.330 31.700 0.062 0.000 0.951 182 I N 3.799 124.400 120.570 0.052 0.000 2.455 182 I HA -0.009 4.162 4.170 0.001 0.000 0.303 182 I C 1.765 177.923 176.117 0.068 0.000 1.180 182 I CA 0.292 61.626 61.300 0.058 0.000 1.469 182 I CB -0.814 37.214 38.000 0.046 0.000 1.480 182 I HN 0.324 nan 8.210 nan 0.000 0.669 183 L N 4.860 126.126 121.223 0.072 0.000 2.313 183 L HA -0.092 4.248 4.340 0.001 0.000 0.214 183 L C 1.255 178.181 176.870 0.094 0.000 1.119 183 L CA 0.394 55.269 54.840 0.058 0.000 0.809 183 L CB -0.523 41.559 42.059 0.039 0.000 0.933 183 L HN 0.397 nan 8.230 nan 0.000 0.449 184 Y N 2.219 122.522 120.300 0.004 0.000 2.469 184 Y HA -0.066 4.485 4.550 0.001 0.000 0.353 184 Y C 0.223 176.134 175.900 0.018 0.000 1.269 184 Y CA 0.085 58.191 58.100 0.009 0.000 1.504 184 Y CB 0.398 38.864 38.460 0.011 0.000 1.369 184 Y HN 0.027 nan 8.280 nan 0.000 0.654 185 E N 3.138 122.864 120.200 -0.791 0.000 2.378 185 E HA 0.163 4.513 4.350 0.001 0.000 0.282 185 E C -1.247 174.988 176.600 -0.608 0.000 0.910 185 E CA -0.680 55.413 56.400 -0.512 0.000 0.816 185 E CB 0.880 30.419 29.700 -0.269 0.000 1.359 185 E HN 0.716 nan 8.360 nan 0.000 0.397 186 N N 0.721 119.270 118.700 -0.252 0.000 2.381 186 N HA 0.231 4.972 4.740 0.001 0.000 0.289 186 N C -0.152 175.384 175.510 0.044 0.000 1.288 186 N CA -0.164 52.861 53.050 -0.042 0.000 0.960 186 N CB 0.437 39.033 38.487 0.182 0.000 1.116 186 N HN 0.315 nan 8.380 nan 0.000 0.557 187 D N -2.169 118.324 120.400 0.155 0.000 2.672 187 D HA 0.069 4.710 4.640 0.001 0.000 0.287 187 D C 0.545 177.055 176.300 0.350 0.000 1.559 187 D CA -0.109 54.023 54.000 0.221 0.000 0.796 187 D CB -0.168 40.675 40.800 0.071 0.000 1.181 187 D HN 0.479 nan 8.370 nan 0.000 0.458 188 H N -0.057 119.155 119.070 0.237 0.000 2.362 188 H HA -0.240 4.316 4.556 0.001 0.000 0.294 188 H C 1.648 177.113 175.328 0.227 0.000 1.113 188 H CA 1.533 57.672 56.048 0.153 0.000 1.253 188 H CB -0.043 29.720 29.762 0.001 0.000 1.363 188 H HN 0.286 nan 8.280 nan 0.000 0.494 189 F N 0.718 120.919 119.950 0.418 0.000 2.046 189 F HA -0.237 4.291 4.527 0.001 0.000 0.297 189 F C 2.563 178.536 175.800 0.290 0.000 1.123 189 F CA 1.904 60.128 58.000 0.373 0.000 1.199 189 F CB -1.249 37.988 39.000 0.395 0.000 0.972 189 F HN 0.165 nan 8.300 nan 0.000 0.474 190 F N 1.569 121.597 119.950 0.131 0.000 2.069 190 F HA -0.222 4.306 4.527 0.002 0.000 0.298 190 F C 2.250 178.013 175.800 -0.061 0.000 1.113 190 F CA 2.279 60.268 58.000 -0.018 0.000 1.214 190 F CB -0.944 38.106 39.000 0.083 0.000 0.978 190 F HN -0.013 nan 8.300 nan 0.000 0.474 191 D N -0.496 120.069 120.400 0.275 0.000 2.123 191 D HA -0.236 4.405 4.640 0.001 0.000 0.196 191 D C 0.964 177.166 176.300 -0.164 0.000 0.992 191 D CA 1.295 55.331 54.000 0.061 0.000 0.833 191 D CB -1.081 39.774 40.800 0.093 0.000 0.954 191 D HN 0.407 nan 8.370 nan 0.000 0.455 195 K N 1.760 121.949 120.400 -0.351 0.000 2.585 195 K HA 0.083 4.403 4.320 0.001 0.000 0.194 195 K C -0.104 176.261 176.600 -0.391 0.000 1.037 195 K CA 0.570 56.657 56.287 -0.334 0.000 0.964 195 K CB 0.251 32.538 32.500 -0.354 0.000 0.787 195 K HN 0.014 nan 8.250 nan 0.000 0.488 196 S N -0.300 115.136 115.700 -0.440 0.000 2.689 196 S HA 0.166 4.636 4.470 0.001 0.000 0.306 196 S C 0.517 174.878 174.600 -0.397 0.000 1.104 196 S CA -0.912 57.066 58.200 -0.370 0.000 0.973 196 S CB 1.975 64.989 63.200 -0.310 0.000 1.121 196 S HN 0.265 nan 8.310 nan 0.000 0.523 197 K N 0.758 120.954 120.400 -0.340 0.000 1.987 197 K HA -0.112 4.209 4.320 0.001 0.000 0.216 197 K C -0.164 176.144 176.600 -0.487 0.000 1.051 197 K CA 1.468 57.496 56.287 -0.431 0.000 0.942 197 K CB -0.889 31.292 32.500 -0.533 0.000 0.722 197 K HN 0.411 nan 8.250 nan 0.000 0.444 198 F N 1.920 121.703 119.950 -0.277 0.000 2.642 198 F HA -0.020 4.507 4.527 0.001 0.000 0.371 198 F C 0.765 176.349 175.800 -0.360 0.000 1.120 198 F CA 0.389 58.260 58.000 -0.215 0.000 1.331 198 F CB 0.003 38.916 39.000 -0.145 0.000 1.044 198 F HN 0.206 nan 8.300 nan 0.000 0.594 199 H N 4.526 123.647 119.070 0.086 0.000 3.092 199 H HA 0.447 5.004 4.556 0.001 0.000 0.308 199 H C -0.333 175.003 175.328 0.014 0.000 1.047 199 H CA -0.428 55.624 56.048 0.008 0.000 1.466 199 H CB 0.802 30.547 29.762 -0.028 0.000 1.597 199 H HN 0.492 nan 8.280 nan 0.000 0.512 200 L N 0.866 122.156 121.223 0.112 0.000 2.578 200 L HA 0.447 4.788 4.340 0.001 0.000 0.259 200 L C 1.301 178.196 176.870 0.040 0.000 1.082 200 L CA -0.907 53.970 54.840 0.061 0.000 0.843 200 L CB 0.658 42.732 42.059 0.025 0.000 1.535 200 L HN 0.460 nan 8.230 nan 0.000 0.510 201 T N -2.163 112.402 114.554 0.019 0.000 2.753 201 T HA 0.238 4.589 4.350 0.001 0.000 0.309 201 T C 0.773 175.483 174.700 0.016 0.000 1.043 201 T CA -0.599 61.509 62.100 0.012 0.000 0.964 201 T CB 0.482 69.349 68.868 -0.002 0.000 1.206 201 T HN 0.326 nan 8.240 nan 0.000 0.528 202 I N 0.766 121.349 120.570 0.022 0.000 3.780 202 I HA 0.166 4.337 4.170 0.001 0.000 0.312 202 I C 1.031 177.168 176.117 0.034 0.000 1.377 202 I CA 0.453 61.780 61.300 0.046 0.000 1.224 202 I CB -1.619 36.415 38.000 0.058 0.000 1.110 202 I HN 0.727 nan 8.210 nan 0.000 0.418 203 E N 0.737 120.936 120.200 -0.001 0.000 2.562 203 E HA 0.150 4.501 4.350 0.001 0.000 0.214 203 E C 1.932 178.512 176.600 -0.033 0.000 0.979 203 E CA 0.160 56.532 56.400 -0.047 0.000 1.002 203 E CB 0.820 30.442 29.700 -0.130 0.000 1.048 203 E HN 0.490 nan 8.360 nan 0.000 0.488 204 G N 3.190 111.997 108.800 0.011 0.000 2.604 204 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 204 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 204 G C -0.835 174.153 174.900 0.146 0.000 1.265 204 G CA 0.678 45.799 45.100 0.034 0.000 0.804 204 G HN 0.127 nan 8.290 nan 0.000 0.579 205 P HA -0.189 nan 4.420 nan 0.000 0.219 205 P C 1.703 179.315 177.300 0.520 0.000 1.153 205 P CA 1.959 65.385 63.100 0.542 0.000 0.865 205 P CB -0.005 31.965 31.700 0.449 0.000 0.788 206 K N -0.131 120.436 120.400 0.278 0.000 1.975 206 K HA -0.108 4.212 4.320 0.001 0.000 0.210 206 K C 1.971 178.731 176.600 0.267 0.000 1.041 206 K CA 1.923 58.346 56.287 0.227 0.000 0.942 206 K CB -0.830 31.739 32.500 0.115 0.000 0.729 206 K HN 0.003 nan 8.250 nan 0.000 0.439 207 V N 0.431 120.389 119.914 0.073 0.000 2.287 207 V HA -0.223 3.898 4.120 0.001 0.000 0.248 207 V C 2.304 178.598 176.094 0.333 0.000 1.053 207 V CA 1.751 64.118 62.300 0.111 0.000 1.027 207 V CB -0.977 30.664 31.823 -0.304 0.000 0.646 207 V HN 0.373 nan 8.190 nan 0.000 0.447 208 L N 1.771 123.147 121.223 0.255 0.000 1.990 208 L HA -0.055 4.286 4.340 0.001 0.000 0.213 208 L C 2.726 179.788 176.870 0.319 0.000 1.072 208 L CA 2.660 57.667 54.840 0.279 0.000 0.755 208 L CB -1.431 40.810 42.059 0.303 0.000 0.889 208 L HN 0.395 nan 8.230 nan 0.000 0.432 209 A N -1.402 121.630 122.820 0.353 0.000 1.892 209 A HA -0.349 3.972 4.320 0.001 0.000 0.218 209 A C 2.357 180.083 177.584 0.237 0.000 1.188 209 A CA 2.200 54.326 52.037 0.147 0.000 0.631 209 A CB -1.428 17.579 19.000 0.012 0.000 0.822 209 A HN 0.675 nan 8.150 nan 0.000 0.447 210 Y N -0.001 120.413 120.300 0.190 0.000 2.181 210 Y HA -0.183 4.368 4.550 0.001 0.000 0.288 210 Y C 1.969 177.898 175.900 0.049 0.000 1.146 210 Y CA 1.658 59.826 58.100 0.113 0.000 1.164 210 Y CB -0.112 38.468 38.460 0.200 0.000 0.982 210 Y HN 0.196 nan 8.280 nan 0.000 0.515 211 L N -0.142 121.210 121.223 0.214 0.000 2.056 211 L HA -0.187 4.154 4.340 0.001 0.000 0.207 211 L C 2.335 179.248 176.870 0.072 0.000 1.078 211 L CA 1.488 56.395 54.840 0.112 0.000 0.749 211 L CB -1.581 40.628 42.059 0.250 0.000 0.901 211 L HN 0.343 nan 8.230 nan 0.000 0.433 212 L N -0.736 120.553 121.223 0.109 0.000 2.131 212 L HA -0.135 4.206 4.340 0.001 0.000 0.210 212 L C 2.512 179.577 176.870 0.326 0.000 1.092 212 L CA 1.259 56.195 54.840 0.159 0.000 0.759 212 L CB -1.001 41.011 42.059 -0.080 0.000 0.903 212 L HN 0.339 nan 8.230 nan 0.000 0.435 213 G N -0.367 108.363 108.800 -0.117 0.000 2.404 213 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 213 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 213 G C 1.531 176.119 174.900 -0.521 0.000 1.174 213 G CA 0.181 44.744 45.100 -0.895 0.000 0.780 213 G HN 0.132 nan 8.290 nan 0.000 0.537 214 L N -0.506 120.429 121.223 -0.479 0.000 2.056 214 L HA 0.049 4.390 4.340 0.001 0.000 0.207 214 L C 2.376 179.129 176.870 -0.195 0.000 1.078 214 L CA 1.536 56.112 54.840 -0.440 0.000 0.749 214 L CB -1.015 40.669 42.059 -0.624 0.000 0.901 214 L HN 0.493 nan 8.230 nan 0.000 0.433 215 W N 0.520 121.731 121.300 -0.147 0.000 2.355 215 W HA -0.243 4.418 4.660 0.001 0.000 0.309 215 W C 2.475 179.087 176.519 0.155 0.000 1.206 215 W CA 1.333 58.819 57.345 0.235 0.000 1.284 215 W CB -0.232 29.455 29.460 0.378 0.000 1.145 215 W HN 0.023 nan 8.180 nan 0.000 0.502 216 I N 0.884 121.565 120.570 0.185 0.000 2.194 216 I HA -0.256 3.915 4.170 0.001 0.000 0.246 216 I C 2.376 178.401 176.117 -0.153 0.000 1.093 216 I CA 2.068 63.363 61.300 -0.008 0.000 1.355 216 I CB -1.918 36.243 38.000 0.268 0.000 1.046 216 I HN 0.210 nan 8.210 nan 0.000 0.413 217 G N -0.240 108.480 108.800 -0.132 0.000 2.499 217 G HA2 -0.157 3.804 3.960 0.001 0.000 0.213 217 G HA3 -0.157 3.804 3.960 0.001 0.000 0.213 217 G C 1.160 175.989 174.900 -0.118 0.000 1.230 217 G CA 0.518 45.542 45.100 -0.126 0.000 0.813 217 G HN 0.275 nan 8.290 nan 0.000 0.542 218 D N 0.437 120.774 120.400 -0.106 0.000 2.398 218 D HA 0.210 4.851 4.640 0.001 0.000 0.210 218 D C 1.514 177.846 176.300 0.053 0.000 1.094 218 D CA 0.019 53.995 54.000 -0.040 0.000 0.839 218 D CB 0.407 41.190 40.800 -0.030 0.000 0.963 218 D HN 0.241 nan 8.370 nan 0.000 0.506 219 G N 0.266 109.073 108.800 0.013 0.000 2.712 219 G HA2 0.339 4.300 3.960 0.001 0.000 0.258 219 G HA3 0.339 4.300 3.960 0.001 0.000 0.258 219 G C -0.063 174.739 174.900 -0.164 0.000 1.241 219 G CA -0.304 44.844 45.100 0.081 0.000 0.923 219 G HN 0.120 nan 8.290 nan 0.000 0.548 220 L N -0.353 120.916 121.223 0.076 0.000 2.334 220 L HA 0.265 4.605 4.340 0.001 0.000 0.273 220 L C 1.296 178.306 176.870 0.233 0.000 1.013 220 L CA -0.670 54.228 54.840 0.097 0.000 0.816 220 L CB 2.289 44.433 42.059 0.141 0.000 1.278 220 L HN 0.681 nan 8.230 nan 0.000 0.431 221 S N -1.276 114.495 115.700 0.119 0.000 2.754 221 S HA -0.018 4.453 4.470 0.001 0.000 0.223 221 S C 0.453 175.307 174.600 0.424 0.000 0.951 221 S CA 0.241 58.598 58.200 0.261 0.000 0.954 221 S CB -0.356 62.881 63.200 0.062 0.000 0.780 221 S HN 0.816 nan 8.310 nan 0.000 0.509 222 D N -0.172 120.435 120.400 0.345 0.000 2.523 222 D HA 0.098 4.739 4.640 0.001 0.000 0.269 222 D C -0.014 176.202 176.300 -0.140 0.000 1.374 222 D CA -0.344 53.758 54.000 0.171 0.000 0.820 222 D CB 0.377 41.229 40.800 0.087 0.000 1.211 222 D HN 0.305 nan 8.370 nan 0.000 0.502 223 R N 0.021 120.461 120.500 -0.100 0.000 2.643 223 R HA 0.602 4.943 4.340 0.001 0.000 0.269 223 R C -0.876 175.308 176.300 -0.194 0.000 1.037 223 R CA -0.705 55.177 56.100 -0.362 0.000 0.894 223 R CB 1.729 31.905 30.300 -0.206 0.000 1.238 223 R HN -0.024 nan 8.270 nan 0.000 0.459 224 A N 1.425 124.010 122.820 -0.392 0.000 3.029 224 A HA 0.172 4.493 4.320 0.001 0.000 0.251 224 A C 0.148 177.411 177.584 -0.535 0.000 1.749 224 A CA 0.413 52.271 52.037 -0.299 0.000 1.386 224 A CB -0.408 18.476 19.000 -0.194 0.000 1.043 224 A HN 0.535 nan 8.150 nan 0.000 0.638 225 T N -0.418 113.840 114.554 -0.493 0.000 2.896 225 T HA 0.800 5.150 4.350 0.001 0.000 0.297 225 T C -1.163 173.226 174.700 -0.518 0.000 1.108 225 T CA -0.550 61.143 62.100 -0.679 0.000 1.004 225 T CB 0.823 69.490 68.868 -0.334 0.000 1.159 225 T HN 0.777 nan 8.240 nan 0.000 0.499 226 F N -0.743 119.287 119.950 0.134 0.000 2.713 226 F HA 0.759 5.287 4.527 0.001 0.000 0.311 226 F C -0.218 175.621 175.800 0.065 0.000 1.141 226 F CA -1.469 56.600 58.000 0.115 0.000 0.939 226 F CB 0.599 39.693 39.000 0.157 0.000 1.325 226 F HN 0.463 nan 8.300 nan 0.000 0.453 227 S N 0.060 115.930 115.700 0.283 0.000 2.645 227 S HA 0.900 5.371 4.470 0.001 0.000 0.266 227 S C -0.612 174.056 174.600 0.113 0.000 1.258 227 S CA -0.477 57.817 58.200 0.158 0.000 0.990 227 S CB 1.672 64.926 63.200 0.089 0.000 0.967 227 S HN 0.553 nan 8.310 nan 0.000 0.556 228 V N 0.444 120.406 119.914 0.080 0.000 3.242 228 V HA 0.295 4.416 4.120 0.001 0.000 0.298 228 V C -1.253 174.865 176.094 0.040 0.000 1.352 228 V CA -0.976 61.354 62.300 0.050 0.000 1.052 228 V CB 2.250 34.112 31.823 0.066 0.000 1.101 228 V HN 0.808 nan 8.190 nan 0.000 0.446 229 D N 1.241 121.657 120.400 0.027 0.000 2.441 229 D HA 0.188 4.829 4.640 0.001 0.000 0.221 229 D C 1.355 177.672 176.300 0.029 0.000 1.156 229 D CA 0.417 54.430 54.000 0.022 0.000 0.896 229 D CB 1.414 42.223 40.800 0.014 0.000 1.028 229 D HN 0.669 nan 8.370 nan 0.000 0.509 230 S N 3.673 119.393 115.700 0.032 0.000 2.462 230 S HA -0.268 4.203 4.470 0.001 0.000 0.251 230 S C 1.743 176.361 174.600 0.029 0.000 1.018 230 S CA 0.712 58.933 58.200 0.034 0.000 0.988 230 S CB 0.051 63.266 63.200 0.025 0.000 0.766 230 S HN 0.479 nan 8.310 nan 0.000 0.504 231 R N 1.835 122.348 120.500 0.022 0.000 2.112 231 R HA 0.080 4.421 4.340 0.001 0.000 0.216 231 R C -0.186 176.125 176.300 0.019 0.000 1.080 231 R CA 0.763 56.874 56.100 0.018 0.000 0.996 231 R CB -0.640 29.668 30.300 0.013 0.000 0.902 231 R HN 0.342 nan 8.270 nan 0.000 0.449 232 D N 1.212 121.623 120.400 0.019 0.000 2.359 232 D HA 0.040 4.680 4.640 0.001 0.000 0.250 232 D C 0.135 176.445 176.300 0.016 0.000 1.264 232 D CA 0.225 54.235 54.000 0.016 0.000 0.911 232 D CB 1.479 42.289 40.800 0.016 0.000 1.056 232 D HN 0.067 nan 8.370 nan 0.000 0.499 233 T N 1.398 115.959 114.554 0.012 0.000 2.851 233 T HA -0.096 4.254 4.350 0.001 0.000 0.262 233 T C 2.034 176.731 174.700 -0.005 0.000 1.043 233 T CA 0.735 62.842 62.100 0.012 0.000 1.140 233 T CB 0.042 68.916 68.868 0.010 0.000 0.872 233 T HN 0.299 nan 8.240 nan 0.000 0.446 234 S N 1.180 116.869 115.700 -0.019 0.000 2.374 234 S HA -0.046 4.425 4.470 0.001 0.000 0.227 234 S C 1.027 175.595 174.600 -0.052 0.000 1.037 234 S CA 0.483 58.656 58.200 -0.046 0.000 1.024 234 S CB -0.498 62.666 63.200 -0.060 0.000 0.861 234 S HN 0.256 nan 8.310 nan 0.000 0.456 238 R N 2.695 123.137 120.500 -0.097 0.000 2.133 238 R HA -0.166 4.174 4.340 0.001 0.000 0.245 238 R C 2.082 178.305 176.300 -0.129 0.000 1.137 238 R CA 2.429 58.397 56.100 -0.220 0.000 0.947 238 R CB -1.117 28.949 30.300 -0.390 0.000 0.865 238 R HN 0.169 nan 8.270 nan 0.000 0.437 239 V N 0.042 119.926 119.914 -0.050 0.000 2.215 239 V HA -0.363 3.758 4.120 0.001 0.000 0.249 239 V C 2.211 178.360 176.094 0.093 0.000 1.054 239 V CA 2.671 65.000 62.300 0.049 0.000 1.012 239 V CB -1.129 30.731 31.823 0.062 0.000 0.639 239 V HN 0.529 nan 8.190 nan 0.000 0.448 240 T N -0.509 114.079 114.554 0.056 0.000 2.570 240 T HA -0.341 4.010 4.350 0.001 0.000 0.266 240 T C 1.814 176.558 174.700 0.073 0.000 1.071 240 T CA 2.199 64.324 62.100 0.043 0.000 1.172 240 T CB -0.421 68.443 68.868 -0.007 0.000 0.864 240 T HN 0.683 nan 8.240 nan 0.000 0.421 241 E N -0.293 119.954 120.200 0.078 0.000 2.035 241 E HA -0.245 4.106 4.350 0.001 0.000 0.204 241 E C 2.131 178.839 176.600 0.180 0.000 1.025 241 E CA 1.688 58.157 56.400 0.116 0.000 0.835 241 E CB -0.287 29.496 29.700 0.139 0.000 0.764 241 E HN 0.539 nan 8.360 nan 0.000 0.457 242 Y N 0.138 120.425 120.300 -0.021 0.000 2.128 242 Y HA -0.205 4.345 4.550 0.001 0.000 0.284 242 Y C 2.384 178.311 175.900 0.046 0.000 1.154 242 Y CA 1.138 59.241 58.100 0.006 0.000 1.149 242 Y CB -1.113 37.348 38.460 0.002 0.000 0.976 242 Y HN 0.239 nan 8.280 nan 0.000 0.505 243 A N -0.248 122.703 122.820 0.217 0.000 1.908 243 A HA -0.255 4.066 4.320 0.001 0.000 0.218 243 A C 2.181 179.819 177.584 0.091 0.000 1.181 243 A CA 2.048 54.178 52.037 0.154 0.000 0.627 243 A CB -0.658 18.434 19.000 0.153 0.000 0.818 243 A HN 0.368 nan 8.150 nan 0.000 0.445 244 E N 0.209 120.453 120.200 0.074 0.000 2.077 244 E HA -0.133 4.218 4.350 0.001 0.000 0.193 244 E C 1.965 178.581 176.600 0.027 0.000 0.989 244 E CA 1.534 57.960 56.400 0.043 0.000 0.800 244 E CB -0.219 29.500 29.700 0.031 0.000 0.746 244 E HN 0.631 nan 8.360 nan 0.000 0.452 245 K N -0.250 120.156 120.400 0.010 0.000 2.209 245 K HA -0.060 4.261 4.320 0.001 0.000 0.204 245 K C 1.890 178.482 176.600 -0.013 0.000 1.048 245 K CA 0.811 57.084 56.287 -0.024 0.000 0.940 245 K CB -0.100 32.343 32.500 -0.096 0.000 0.729 245 K HN 0.217 nan 8.250 nan 0.000 0.451 246 L N 0.559 121.785 121.223 0.005 0.000 2.599 246 L HA -0.012 4.328 4.340 0.001 0.000 0.230 246 L C 0.010 176.892 176.870 0.020 0.000 1.141 246 L CA -0.081 54.762 54.840 0.005 0.000 0.877 246 L CB -0.464 41.601 42.059 0.010 0.000 1.009 246 L HN 0.325 nan 8.230 nan 0.000 0.447 247 N N 0.461 119.180 118.700 0.030 0.000 2.765 247 N HA -0.171 4.570 4.740 0.001 0.000 0.254 247 N C -1.096 174.445 175.510 0.052 0.000 1.094 247 N CA 0.437 53.512 53.050 0.042 0.000 0.680 247 N CB -1.121 37.397 38.487 0.051 0.000 0.902 247 N HN 0.203 nan 8.380 nan 0.000 0.557 248 L N -0.822 120.433 121.223 0.053 0.000 2.357 248 L HA 0.701 5.042 4.340 0.001 0.000 0.244 248 L C -0.323 176.590 176.870 0.072 0.000 1.115 248 L CA -0.789 54.090 54.840 0.066 0.000 0.919 248 L CB 1.826 43.917 42.059 0.054 0.000 1.532 248 L HN 0.250 nan 8.230 nan 0.000 0.416 249 C N 0.815 120.173 119.300 0.095 0.000 2.435 249 C HA 0.842 5.303 4.460 0.001 0.000 0.333 249 C C 0.096 175.143 174.990 0.096 0.000 1.202 249 C CA -0.783 58.296 59.018 0.101 0.000 1.830 249 C CB 1.230 29.061 27.740 0.151 0.000 2.326 249 C HN 0.714 nan 8.230 nan 0.000 0.507 250 A N 1.778 124.637 122.820 0.065 0.000 2.273 250 A HA 0.557 4.878 4.320 0.001 0.000 0.320 250 A C -0.202 177.433 177.584 0.085 0.000 1.358 250 A CA -0.045 52.029 52.037 0.063 0.000 0.910 250 A CB 0.148 19.158 19.000 0.018 0.000 1.159 250 A HN 0.840 nan 8.150 nan 0.000 0.526 251 E N 3.067 123.375 120.200 0.179 0.000 2.201 251 E HA 0.235 4.585 4.350 0.001 0.000 0.272 251 E C -0.375 176.448 176.600 0.371 0.000 1.228 251 E CA -0.544 56.043 56.400 0.311 0.000 1.305 251 E CB -0.581 29.388 29.700 0.449 0.000 1.381 251 E HN 0.529 nan 8.360 nan 0.000 0.475 252 Y N 0.837 121.196 120.300 0.098 0.000 2.805 252 Y HA 0.263 4.814 4.550 0.001 0.000 0.331 252 Y C -0.371 175.571 175.900 0.071 0.000 1.241 252 Y CA -0.720 57.428 58.100 0.080 0.000 1.546 252 Y CB 0.420 38.920 38.460 0.068 0.000 1.248 252 Y HN -0.050 nan 8.280 nan 0.000 0.559 253 K N 4.067 124.533 120.400 0.110 0.000 2.761 253 K HA 0.104 4.424 4.320 0.001 0.000 0.257 253 K C -0.573 176.029 176.600 0.003 0.000 1.053 253 K CA -0.298 55.986 56.287 -0.005 0.000 1.035 253 K CB 0.925 33.447 32.500 0.036 0.000 1.267 253 K HN 0.816 nan 8.250 nan 0.000 0.505 254 D N 1.198 121.576 120.400 -0.038 0.000 2.348 254 D HA -0.027 4.613 4.640 0.001 0.000 0.211 254 D C 0.343 176.632 176.300 -0.019 0.000 0.998 254 D CA 0.104 54.097 54.000 -0.013 0.000 0.873 254 D CB 0.374 41.163 40.800 -0.020 0.000 0.925 254 D HN 0.235 nan 8.370 nan 0.000 0.524 255 R N 2.233 122.712 120.500 -0.035 0.000 4.082 255 R HA -0.176 4.164 4.340 0.001 0.000 0.210 255 R C 0.111 176.405 176.300 -0.011 0.000 0.488 255 R CA 0.267 56.352 56.100 -0.026 0.000 0.946 255 R CB -0.815 29.470 30.300 -0.024 0.000 0.976 255 R HN -0.026 nan 8.270 nan 0.000 0.301 262 K N 0.486 120.910 120.400 0.041 0.000 2.322 262 K HA 0.511 4.831 4.320 0.001 0.000 0.283 262 K C -0.082 176.567 176.600 0.082 0.000 1.042 262 K CA 0.748 57.071 56.287 0.060 0.000 0.958 262 K CB 0.748 33.294 32.500 0.077 0.000 0.984 262 K HN 0.820 nan 8.250 nan 0.000 0.473 263 T N 3.174 117.780 114.554 0.087 0.000 2.812 263 T HA 0.539 4.890 4.350 0.001 0.000 0.282 263 T C -0.916 173.859 174.700 0.125 0.000 0.990 263 T CA -0.726 61.435 62.100 0.102 0.000 0.960 263 T CB 0.740 69.652 68.868 0.073 0.000 0.948 263 T HN 0.244 nan 8.240 nan 0.000 0.438 264 V N 4.781 124.787 119.914 0.154 0.000 3.166 264 V HA 0.715 4.835 4.120 0.001 0.000 0.317 264 V C -0.302 175.806 176.094 0.023 0.000 1.136 264 V CA -1.095 61.295 62.300 0.151 0.000 1.035 264 V CB 2.229 34.190 31.823 0.229 0.000 1.110 264 V HN 0.916 nan 8.190 nan 0.000 0.450 265 N N 1.221 119.872 118.700 -0.082 0.000 2.406 265 N HA 0.419 5.160 4.740 0.001 0.000 0.283 265 N C -1.619 173.625 175.510 -0.442 0.000 1.074 265 N CA -0.500 52.309 53.050 -0.400 0.000 0.916 265 N CB 2.550 40.638 38.487 -0.665 0.000 1.639 265 N HN 0.444 nan 8.380 nan 0.000 0.485 266 L N 3.039 123.999 121.223 -0.440 0.000 2.315 266 L HA 0.379 4.720 4.340 0.001 0.000 0.278 266 L C -0.699 176.014 176.870 -0.262 0.000 1.088 266 L CA -0.545 54.156 54.840 -0.232 0.000 0.899 266 L CB -0.501 41.501 42.059 -0.095 0.000 1.277 266 L HN 0.369 nan 8.230 nan 0.000 0.431 267 Y N 0.910 121.206 120.300 -0.008 0.000 2.299 267 Y HA 0.160 4.711 4.550 0.001 0.000 0.326 267 Y C 1.139 177.042 175.900 0.005 0.000 1.164 267 Y CA -0.278 57.816 58.100 -0.010 0.000 1.234 267 Y CB 1.377 39.835 38.460 -0.003 0.000 1.219 267 Y HN 0.550 nan 8.280 nan 0.000 0.497 268 S N 3.042 118.851 115.700 0.182 0.000 2.585 268 S HA 0.061 4.532 4.470 0.001 0.000 0.273 268 S C 0.752 175.419 174.600 0.111 0.000 1.339 268 S CA -0.807 57.469 58.200 0.126 0.000 1.028 268 S CB 0.829 64.102 63.200 0.121 0.000 0.906 268 S HN 0.794 nan 8.310 nan 0.000 0.528 269 K N 2.957 123.409 120.400 0.086 0.000 2.551 269 K HA 0.165 4.486 4.320 0.001 0.000 0.204 269 K C 0.407 177.035 176.600 0.046 0.000 1.033 269 K CA -0.205 56.118 56.287 0.060 0.000 1.187 269 K CB -0.695 31.835 32.500 0.050 0.000 0.900 269 K HN 0.543 nan 8.250 nan 0.000 0.499 270 V N 0.595 120.541 119.914 0.054 0.000 4.164 270 V HA -0.075 4.046 4.120 0.001 0.000 0.262 270 V C 1.027 177.132 176.094 0.018 0.000 0.858 270 V CA -0.178 62.146 62.300 0.039 0.000 0.792 270 V CB 0.435 32.289 31.823 0.050 0.000 1.143 270 V HN 0.028 nan 8.190 nan 0.000 0.368 271 V N 2.079 121.999 119.914 0.011 0.000 3.051 271 V HA 0.120 4.240 4.120 0.001 0.000 0.306 271 V C 1.429 177.518 176.094 -0.008 0.000 1.083 271 V CA -0.045 62.254 62.300 -0.001 0.000 1.104 271 V CB 0.872 32.693 31.823 -0.003 0.000 1.027 271 V HN 0.865 nan 8.190 nan 0.000 0.483 272 R N 2.178 122.665 120.500 -0.022 0.000 2.246 272 R HA 0.321 4.662 4.340 0.001 0.000 0.199 272 R C 0.643 176.918 176.300 -0.042 0.000 0.984 272 R CA 0.942 57.016 56.100 -0.044 0.000 1.015 272 R CB -0.655 29.612 30.300 -0.055 0.000 0.930 272 R HN 1.261 nan 8.270 nan 0.000 0.475 273 G N 0.977 109.762 108.800 -0.026 0.000 2.498 273 G HA2 -0.258 3.702 3.960 0.001 0.000 0.651 273 G HA3 -0.258 3.702 3.960 0.001 0.000 0.651 273 G C -0.127 174.759 174.900 -0.022 0.000 1.284 273 G CA -0.139 44.948 45.100 -0.022 0.000 0.950 273 G HN 0.100 nan 8.290 nan 0.000 0.511 274 N N 0.195 118.883 118.700 -0.019 0.000 2.094 274 N HA -0.075 4.666 4.740 0.001 0.000 0.191 274 N C 1.563 177.061 175.510 -0.020 0.000 1.023 274 N CA 2.607 55.647 53.050 -0.017 0.000 0.857 274 N CB -0.338 38.141 38.487 -0.014 0.000 1.013 274 N HN 1.034 nan 8.380 nan 0.000 0.426 275 G N -0.447 108.338 108.800 -0.025 0.000 3.135 275 G HA2 0.495 4.456 3.960 0.001 0.000 0.159 275 G HA3 0.495 4.456 3.960 0.001 0.000 0.159 275 G C -0.990 173.885 174.900 -0.041 0.000 1.244 275 G CA -0.320 44.763 45.100 -0.028 0.000 0.965 275 G HN 0.050 nan 8.290 nan 0.000 0.599 276 I N 1.593 122.134 120.570 -0.048 0.000 2.328 276 I HA 0.519 4.689 4.170 0.001 0.000 0.287 276 I C -0.305 175.763 176.117 -0.083 0.000 1.012 276 I CA -1.387 59.868 61.300 -0.074 0.000 1.195 276 I CB 0.785 38.742 38.000 -0.072 0.000 1.350 276 I HN 0.417 nan 8.210 nan 0.000 0.464 277 R N 5.055 125.494 120.500 -0.103 0.000 2.606 277 R HA 0.215 4.556 4.340 0.001 0.000 0.202 277 R C -0.475 175.753 176.300 -0.120 0.000 1.371 277 R CA -0.575 55.470 56.100 -0.092 0.000 1.355 277 R CB -0.848 29.422 30.300 -0.050 0.000 1.477 277 R HN 0.446 nan 8.270 nan 0.000 0.775 278 N N 1.824 120.379 118.700 -0.242 0.000 2.174 278 N HA -0.005 4.736 4.740 0.001 0.000 0.215 278 N C -0.300 175.163 175.510 -0.079 0.000 1.322 278 N CA 0.490 53.377 53.050 -0.273 0.000 0.880 278 N CB 0.587 38.677 38.487 -0.661 0.000 1.090 278 N HN 0.366 nan 8.380 nan 0.000 0.436 279 N N 0.603 119.333 118.700 0.049 0.000 2.466 279 N HA 0.323 5.063 4.740 0.001 0.000 0.294 279 N C 0.749 176.465 175.510 0.343 0.000 1.129 279 N CA -0.357 52.780 53.050 0.144 0.000 0.931 279 N CB 1.986 40.520 38.487 0.078 0.000 1.193 279 N HN 0.486 nan 8.380 nan 0.000 0.500 280 L N -1.927 119.386 121.223 0.150 0.000 2.753 280 L HA 0.424 4.765 4.340 0.001 0.000 0.238 280 L C 0.914 177.703 176.870 -0.135 0.000 1.028 280 L CA -0.218 54.599 54.840 -0.038 0.000 0.966 280 L CB -0.106 41.778 42.059 -0.292 0.000 1.681 280 L HN 0.144 nan 8.230 nan 0.000 0.511 281 N N 0.894 119.474 118.700 -0.200 0.000 2.395 281 N HA 0.061 4.802 4.740 0.001 0.000 0.175 281 N C 0.195 175.657 175.510 -0.081 0.000 1.029 281 N CA 0.948 53.797 53.050 -0.334 0.000 0.897 281 N CB 0.075 38.155 38.487 -0.679 0.000 0.991 281 N HN 0.403 nan 8.380 nan 0.000 0.441 282 T N 1.436 115.982 114.554 -0.014 0.000 2.910 282 T HA 0.117 4.468 4.350 0.001 0.000 0.293 282 T C 0.237 175.018 174.700 0.136 0.000 1.015 282 T CA -0.402 61.740 62.100 0.071 0.000 1.094 282 T CB 1.236 70.132 68.868 0.046 0.000 0.968 282 T HN 0.066 nan 8.240 nan 0.000 0.521 283 E N 0.984 121.317 120.200 0.221 0.000 2.269 283 E HA -0.202 4.148 4.350 0.001 0.000 0.223 283 E C -0.409 176.422 176.600 0.386 0.000 1.244 283 E CA 0.500 57.118 56.400 0.364 0.000 0.713 283 E CB -1.253 28.570 29.700 0.205 0.000 1.178 283 E HN 0.585 nan 8.360 nan 0.000 0.370 284 N N -0.284 118.535 118.700 0.198 0.000 2.461 284 N HA 0.260 5.001 4.740 0.001 0.000 0.284 284 N C -2.042 173.201 175.510 -0.446 0.000 1.049 284 N CA -2.136 50.861 53.050 -0.088 0.000 0.889 284 N CB 1.756 40.245 38.487 0.003 0.000 1.365 284 N HN -0.284 nan 8.380 nan 0.000 0.499 285 P HA -0.144 nan 4.420 nan 0.000 0.215 285 P C 1.828 178.907 177.300 -0.369 0.000 1.153 285 P CA 0.437 63.008 63.100 -0.882 0.000 0.853 285 P CB 0.586 31.856 31.700 -0.717 0.000 0.788 286 L N -0.772 120.309 121.223 -0.236 0.000 1.957 286 L HA -0.239 4.102 4.340 0.001 0.000 0.228 286 L C 2.127 178.857 176.870 -0.235 0.000 1.086 286 L CA 2.377 57.114 54.840 -0.173 0.000 0.796 286 L CB -1.571 40.430 42.059 -0.096 0.000 0.900 286 L HN 0.211 nan 8.230 nan 0.000 0.439 287 W N 1.089 122.198 121.300 -0.318 0.000 2.335 287 W HA -0.290 4.371 4.660 0.001 0.000 0.311 287 W C 2.338 178.753 176.519 -0.174 0.000 1.213 287 W CA 1.921 59.093 57.345 -0.288 0.000 1.274 287 W CB -0.447 28.883 29.460 -0.216 0.000 1.148 287 W HN 0.468 nan 8.180 nan 0.000 0.498 288 D N 0.184 120.523 120.400 -0.102 0.000 2.271 288 D HA -0.172 4.469 4.640 0.001 0.000 0.207 288 D C 1.874 178.134 176.300 -0.068 0.000 0.983 288 D CA 1.619 55.596 54.000 -0.037 0.000 0.878 288 D CB 0.118 40.927 40.800 0.015 0.000 0.920 288 D HN 0.195 nan 8.370 nan 0.000 0.479 289 A N 0.376 123.076 122.820 -0.201 0.000 1.909 289 A HA 0.102 4.422 4.320 0.001 0.000 0.209 289 A C 2.364 179.736 177.584 -0.354 0.000 1.247 289 A CA 0.038 51.941 52.037 -0.224 0.000 0.660 289 A CB -0.597 18.273 19.000 -0.215 0.000 0.910 289 A HN 0.194 nan 8.150 nan 0.000 0.465 290 I N 0.269 120.502 120.570 -0.562 0.000 2.231 290 I HA -0.349 3.821 4.170 0.001 0.000 0.251 290 I C 2.199 178.079 176.117 -0.396 0.000 1.076 290 I CA 1.771 62.703 61.300 -0.613 0.000 1.347 290 I CB -0.250 37.017 38.000 -1.222 0.000 1.038 290 I HN 0.194 nan 8.210 nan 0.000 0.429 291 V N 0.115 119.699 119.914 -0.550 0.000 2.426 291 V HA -0.018 4.102 4.120 0.001 0.000 0.242 291 V C 2.487 178.511 176.094 -0.117 0.000 1.036 291 V CA 1.623 63.734 62.300 -0.314 0.000 1.044 291 V CB -1.006 30.611 31.823 -0.344 0.000 0.688 291 V HN 0.520 nan 8.190 nan 0.000 0.462 292 G N 0.860 109.602 108.800 -0.096 0.000 2.628 292 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 292 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 292 G C 1.427 176.273 174.900 -0.090 0.000 1.240 292 G CA 1.243 46.351 45.100 0.014 0.000 0.792 292 G HN 0.481 nan 8.290 nan 0.000 0.593 293 L N 0.861 121.968 121.223 -0.193 0.000 2.551 293 L HA 0.253 4.594 4.340 0.001 0.000 0.228 293 L C 1.919 178.883 176.870 0.156 0.000 1.153 293 L CA 0.461 55.296 54.840 -0.007 0.000 0.851 293 L CB -0.314 41.898 42.059 0.254 0.000 0.959 293 L HN 0.500 nan 8.230 nan 0.000 0.451 294 G N -0.837 108.041 108.800 0.129 0.000 2.142 294 G HA2 -0.282 3.678 3.960 0.001 0.000 0.225 294 G HA3 -0.282 3.678 3.960 0.001 0.000 0.225 294 G C 0.252 175.174 174.900 0.036 0.000 1.015 294 G CA -0.300 44.835 45.100 0.058 0.000 0.716 294 G HN 0.240 nan 8.290 nan 0.000 0.508 295 F N -0.796 119.149 119.950 -0.007 0.000 2.802 295 F HA 0.446 4.973 4.527 0.001 0.000 0.300 295 F C 1.405 177.291 175.800 0.144 0.000 1.168 295 F CA 0.249 58.295 58.000 0.077 0.000 1.433 295 F CB 0.472 39.558 39.000 0.143 0.000 1.115 295 F HN 0.221 nan 8.300 nan 0.000 0.582 296 L N 1.380 122.727 121.223 0.206 0.000 2.502 296 L HA 0.256 4.597 4.340 0.001 0.000 0.249 296 L C -0.119 176.806 176.870 0.091 0.000 1.446 296 L CA -0.582 54.364 54.840 0.176 0.000 0.887 296 L CB -0.065 42.094 42.059 0.168 0.000 1.126 296 L HN -0.011 nan 8.230 nan 0.000 0.509 297 K N -0.036 120.399 120.400 0.059 0.000 2.297 297 K HA 0.375 4.696 4.320 0.001 0.000 0.286 297 K C -0.585 176.041 176.600 0.044 0.000 1.053 297 K CA -0.293 56.015 56.287 0.036 0.000 0.940 297 K CB 0.346 32.851 32.500 0.008 0.000 1.019 297 K HN 0.350 nan 8.250 nan 0.000 0.475 298 D N 2.985 123.414 120.400 0.048 0.000 2.740 298 D HA -0.203 4.437 4.640 0.001 0.000 0.231 298 D C 0.991 177.328 176.300 0.061 0.000 1.194 298 D CA 1.666 55.696 54.000 0.051 0.000 0.673 298 D CB -1.362 39.462 40.800 0.039 0.000 0.995 298 D HN 1.056 nan 8.370 nan 0.000 0.411 299 G N -2.416 106.433 108.800 0.081 0.000 2.328 299 G HA2 -0.323 3.637 3.960 0.001 0.000 0.256 299 G HA3 -0.323 3.637 3.960 0.001 0.000 0.256 299 G C 0.474 175.420 174.900 0.077 0.000 1.014 299 G CA 0.364 45.518 45.100 0.091 0.000 0.620 299 G HN 0.745 nan 8.290 nan 0.000 0.530 300 V N 1.275 121.219 119.914 0.049 0.000 2.769 300 V HA 0.514 4.634 4.120 0.001 0.000 0.312 300 V C 0.928 177.012 176.094 -0.018 0.000 1.058 300 V CA -0.912 61.381 62.300 -0.011 0.000 0.952 300 V CB 1.813 33.628 31.823 -0.014 0.000 1.019 300 V HN 0.391 nan 8.190 nan 0.000 0.445 301 K N 2.139 122.470 120.400 -0.115 0.000 2.185 301 K HA 0.242 4.563 4.320 0.001 0.000 0.245 301 K C -0.146 176.435 176.600 -0.031 0.000 1.035 301 K CA 0.144 56.392 56.287 -0.065 0.000 0.847 301 K CB 0.127 32.484 32.500 -0.238 0.000 1.056 301 K HN 0.773 nan 8.250 nan 0.000 0.518 302 N N -0.570 118.141 118.700 0.018 0.000 3.997 302 N HA 0.087 4.828 4.740 0.001 0.000 0.209 302 N C -1.973 173.455 175.510 -0.136 0.000 1.108 302 N CA -0.419 52.606 53.050 -0.041 0.000 1.020 302 N CB 0.565 39.017 38.487 -0.058 0.000 1.628 302 N HN 0.449 nan 8.380 nan 0.000 0.588 303 I N 3.066 123.530 120.570 -0.177 0.000 2.291 303 I HA 0.340 4.511 4.170 0.001 0.000 0.292 303 I C -1.745 174.092 176.117 -0.467 0.000 1.064 303 I CA -1.776 59.313 61.300 -0.351 0.000 1.269 303 I CB 1.179 39.072 38.000 -0.178 0.000 1.418 303 I HN 0.370 nan 8.210 nan 0.000 0.485 304 P HA 0.015 nan 4.420 nan 0.000 0.267 304 P C 0.724 177.708 177.300 -0.525 0.000 1.209 304 P CA -0.020 62.754 63.100 -0.544 0.000 0.763 304 P CB 1.020 32.378 31.700 -0.570 0.000 0.816 305 S N 4.152 119.680 115.700 -0.287 0.000 2.387 305 S HA -0.268 4.202 4.470 0.001 0.000 0.230 305 S C 1.698 176.150 174.600 -0.247 0.000 1.035 305 S CA 1.382 59.442 58.200 -0.233 0.000 1.014 305 S CB -1.672 61.454 63.200 -0.123 0.000 0.836 305 S HN 0.576 nan 8.310 nan 0.000 0.466 306 F N 1.692 121.510 119.950 -0.219 0.000 2.346 306 F HA 0.068 4.595 4.527 0.001 0.000 0.301 306 F C 1.711 177.421 175.800 -0.149 0.000 1.070 306 F CA 0.421 58.300 58.000 -0.202 0.000 1.407 306 F CB -0.647 38.144 39.000 -0.348 0.000 1.072 306 F HN 0.191 nan 8.300 nan 0.000 0.543 307 L N 0.619 121.172 121.223 -1.116 0.000 2.291 307 L HA -0.048 4.293 4.340 0.001 0.000 0.214 307 L C 2.228 178.875 176.870 -0.372 0.000 1.120 307 L CA 1.385 55.697 54.840 -0.881 0.000 0.799 307 L CB -1.109 40.352 42.059 -0.996 0.000 0.925 307 L HN 0.224 nan 8.230 nan 0.000 0.446 308 S N -1.396 114.141 115.700 -0.271 0.000 2.402 308 S HA -0.106 4.365 4.470 0.001 0.000 0.229 308 S C 1.559 176.128 174.600 -0.052 0.000 1.021 308 S CA 1.429 59.546 58.200 -0.138 0.000 0.974 308 S CB -0.434 62.695 63.200 -0.118 0.000 0.800 308 S HN 0.707 nan 8.310 nan 0.000 0.484 309 T N -1.271 113.277 114.554 -0.011 0.000 3.092 309 T HA 0.270 4.621 4.350 0.001 0.000 0.258 309 T C 0.153 174.918 174.700 0.108 0.000 1.031 309 T CA -0.334 61.822 62.100 0.095 0.000 0.925 309 T CB 0.100 69.067 68.868 0.164 0.000 1.036 309 T HN 0.071 nan 8.240 nan 0.000 0.544 310 D N 1.818 122.257 120.400 0.066 0.000 2.430 310 D HA 0.157 4.798 4.640 0.001 0.000 0.285 310 D C 0.266 176.594 176.300 0.046 0.000 1.210 310 D CA -0.660 53.405 54.000 0.107 0.000 1.080 310 D CB 0.378 41.302 40.800 0.207 0.000 1.134 310 D HN 0.138 nan 8.370 nan 0.000 0.562 311 N N 1.001 119.752 118.700 0.084 0.000 2.438 311 N HA -0.037 4.704 4.740 0.001 0.000 0.267 311 N C 1.363 176.901 175.510 0.046 0.000 1.222 311 N CA -0.060 53.024 53.050 0.058 0.000 0.930 311 N CB 0.324 38.880 38.487 0.114 0.000 1.083 311 N HN 0.384 nan 8.380 nan 0.000 0.476 312 I N 3.503 124.090 120.570 0.029 0.000 2.113 312 I HA -0.348 3.823 4.170 0.001 0.000 0.242 312 I C 2.392 178.548 176.117 0.065 0.000 1.057 312 I CA 1.753 63.078 61.300 0.041 0.000 1.314 312 I CB -0.737 37.287 38.000 0.039 0.000 1.022 312 I HN 0.654 nan 8.210 nan 0.000 0.408 313 G N 0.247 109.094 108.800 0.077 0.000 2.553 313 G HA2 -0.311 3.650 3.960 0.001 0.000 0.218 313 G HA3 -0.311 3.650 3.960 0.001 0.000 0.218 313 G C 1.610 176.570 174.900 0.100 0.000 1.195 313 G CA 1.795 46.955 45.100 0.100 0.000 0.779 313 G HN 0.337 nan 8.290 nan 0.000 0.577 314 T N 0.614 115.221 114.554 0.089 0.000 2.684 314 T HA -0.102 4.249 4.350 0.001 0.000 0.267 314 T C 2.489 177.197 174.700 0.014 0.000 1.036 314 T CA 1.363 63.483 62.100 0.033 0.000 1.148 314 T CB -0.188 68.670 68.868 -0.017 0.000 0.863 314 T HN 0.315 nan 8.240 nan 0.000 0.436 315 R N 0.997 121.505 120.500 0.012 0.000 2.103 315 R HA -0.136 4.204 4.340 0.001 0.000 0.242 315 R C 2.475 178.828 176.300 0.089 0.000 1.142 315 R CA 1.646 57.757 56.100 0.018 0.000 0.960 315 R CB -0.305 29.998 30.300 0.005 0.000 0.858 315 R HN 0.605 nan 8.270 nan 0.000 0.439 316 E N 0.020 120.272 120.200 0.086 0.000 1.998 316 E HA -0.154 4.197 4.350 0.001 0.000 0.196 316 E C 2.089 178.750 176.600 0.103 0.000 1.003 316 E CA 1.809 58.264 56.400 0.091 0.000 0.829 316 E CB -0.385 29.373 29.700 0.098 0.000 0.777 316 E HN 0.249 nan 8.360 nan 0.000 0.460 317 T N 1.623 116.255 114.554 0.131 0.000 2.653 317 T HA -0.279 4.072 4.350 0.001 0.000 0.267 317 T C 1.582 176.360 174.700 0.129 0.000 1.037 317 T CA 1.830 64.036 62.100 0.177 0.000 1.159 317 T CB -0.629 68.370 68.868 0.218 0.000 0.859 317 T HN 0.174 nan 8.240 nan 0.000 0.449 318 F N 1.322 121.261 119.950 -0.017 0.000 2.095 318 F HA -0.073 4.455 4.527 0.001 0.000 0.298 318 F C 2.143 177.896 175.800 -0.078 0.000 1.104 318 F CA 1.051 59.013 58.000 -0.064 0.000 1.232 318 F CB -0.505 38.450 39.000 -0.075 0.000 0.987 318 F HN 0.067 nan 8.300 nan 0.000 0.475 319 L N -0.228 120.932 121.223 -0.105 0.000 2.046 319 L HA -0.184 4.157 4.340 0.001 0.000 0.208 319 L C 2.660 179.383 176.870 -0.245 0.000 1.077 319 L CA 1.462 56.185 54.840 -0.194 0.000 0.747 319 L CB -1.064 40.980 42.059 -0.025 0.000 0.896 319 L HN 0.329 nan 8.230 nan 0.000 0.432 320 A N 0.180 122.924 122.820 -0.126 0.000 1.896 320 A HA -0.280 4.041 4.320 0.001 0.000 0.220 320 A C 2.284 179.729 177.584 -0.232 0.000 1.206 320 A CA 2.254 54.258 52.037 -0.055 0.000 0.647 320 A CB -1.523 17.558 19.000 0.135 0.000 0.828 320 A HN 0.527 nan 8.150 nan 0.000 0.455 321 G N -0.750 107.703 108.800 -0.579 0.000 2.480 321 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 321 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 321 G C 1.594 176.115 174.900 -0.632 0.000 1.200 321 G CA 0.945 45.434 45.100 -1.018 0.000 0.782 321 G HN 0.458 nan 8.290 nan 0.000 0.554 322 L N 0.146 120.978 121.223 -0.652 0.000 2.021 322 L HA -0.171 4.169 4.340 0.001 0.000 0.215 322 L C 2.944 179.654 176.870 -0.267 0.000 1.074 322 L CA 1.495 56.065 54.840 -0.450 0.000 0.760 322 L CB -0.262 41.539 42.059 -0.430 0.000 0.889 322 L HN 0.288 nan 8.230 nan 0.000 0.433 323 I N -0.589 119.845 120.570 -0.226 0.000 2.142 323 I HA -0.327 3.844 4.170 0.001 0.000 0.240 323 I C 2.007 178.059 176.117 -0.108 0.000 1.078 323 I CA 1.328 62.550 61.300 -0.130 0.000 1.343 323 I CB -0.599 37.339 38.000 -0.103 0.000 1.046 323 I HN 0.255 nan 8.210 nan 0.000 0.405 324 D N 0.344 120.673 120.400 -0.118 0.000 2.332 324 D HA -0.189 4.452 4.640 0.001 0.000 0.209 324 D C 2.135 178.387 176.300 -0.080 0.000 0.988 324 D CA 1.698 55.659 54.000 -0.065 0.000 0.912 324 D CB 0.039 40.836 40.800 -0.005 0.000 0.899 324 D HN 0.407 nan 8.370 nan 0.000 0.477 325 S N -1.018 114.609 115.700 -0.122 0.000 2.738 325 S HA -0.001 4.469 4.470 0.001 0.000 0.216 325 S C 0.789 175.354 174.600 -0.058 0.000 0.968 325 S CA -0.062 58.081 58.200 -0.096 0.000 0.879 325 S CB 0.516 63.636 63.200 -0.134 0.000 0.837 325 S HN -0.112 nan 8.310 nan 0.000 0.622 326 D N 1.768 122.128 120.400 -0.068 0.000 3.133 326 D HA 0.441 5.081 4.640 0.001 0.000 0.288 326 D C -0.443 175.847 176.300 -0.016 0.000 1.346 326 D CA 0.077 54.057 54.000 -0.034 0.000 0.934 326 D CB 0.436 41.214 40.800 -0.037 0.000 1.042 326 D HN 0.493 nan 8.370 nan 0.000 0.506 327 G N 1.223 110.023 108.800 0.000 0.000 2.744 327 G HA2 0.221 4.182 3.960 0.001 0.000 0.286 327 G HA3 0.221 4.182 3.960 0.001 0.000 0.286 327 G C -1.479 173.475 174.900 0.091 0.000 1.497 327 G CA -0.566 44.547 45.100 0.021 0.000 1.070 327 G HN 0.072 nan 8.290 nan 0.000 0.539 328 Y N 3.678 123.964 120.300 -0.023 0.000 2.341 328 Y HA 0.677 5.227 4.550 0.001 0.000 0.340 328 Y C -0.831 175.059 175.900 -0.017 0.000 0.997 328 Y CA -1.161 56.931 58.100 -0.012 0.000 1.149 328 Y CB 1.528 39.991 38.460 0.004 0.000 1.171 328 Y HN 0.353 nan 8.280 nan 0.000 0.494 329 V N 6.255 126.030 119.914 -0.232 0.000 2.715 329 V HA 0.672 4.793 4.120 0.001 0.000 0.310 329 V C -0.012 175.816 176.094 -0.443 0.000 1.054 329 V CA -0.192 61.890 62.300 -0.364 0.000 0.928 329 V CB 1.943 33.668 31.823 -0.162 0.000 1.007 329 V HN 0.958 nan 8.190 nan 0.000 0.437 330 T N -0.944 113.374 114.554 -0.393 0.000 2.838 330 T HA 0.568 4.918 4.350 0.001 0.000 0.292 330 T C -0.356 174.252 174.700 -0.153 0.000 1.113 330 T CA -0.345 61.609 62.100 -0.244 0.000 1.008 330 T CB 2.505 71.228 68.868 -0.241 0.000 1.259 330 T HN 0.559 nan 8.240 nan 0.000 0.520 331 D N -1.637 118.701 120.400 -0.103 0.000 2.430 331 D HA 0.107 4.747 4.640 0.001 0.000 0.289 331 D C 1.397 177.652 176.300 -0.075 0.000 1.215 331 D CA -0.000 53.949 54.000 -0.084 0.000 0.838 331 D CB 0.508 41.261 40.800 -0.078 0.000 1.290 331 D HN 0.523 nan 8.370 nan 0.000 0.521 332 E N 0.309 120.445 120.200 -0.108 0.000 2.108 332 E HA -0.188 4.163 4.350 0.001 0.000 0.203 332 E C 0.711 177.159 176.600 -0.254 0.000 1.022 332 E CA 1.303 57.577 56.400 -0.210 0.000 0.823 332 E CB -0.203 29.316 29.700 -0.302 0.000 0.744 332 E HN 0.488 nan 8.360 nan 0.000 0.456 333 H N -1.380 117.692 119.070 0.004 0.000 2.649 333 H HA 0.504 5.061 4.556 0.001 0.000 0.258 333 H C 0.316 175.648 175.328 0.007 0.000 1.165 333 H CA 0.595 56.648 56.048 0.009 0.000 1.006 333 H CB 0.816 30.591 29.762 0.021 0.000 1.743 333 H HN 0.164 nan 8.280 nan 0.000 0.609 334 G N 0.760 109.610 108.800 0.084 0.000 2.307 334 G HA2 -0.003 3.958 3.960 0.001 0.000 0.348 334 G HA3 -0.003 3.958 3.960 0.001 0.000 0.348 334 G C -1.337 173.554 174.900 -0.015 0.000 1.603 334 G CA -1.035 44.087 45.100 0.036 0.000 0.961 334 G HN 0.107 nan 8.290 nan 0.000 0.686 335 I N 1.132 121.672 120.570 -0.050 0.000 2.618 335 I HA 0.563 4.733 4.170 0.001 0.000 0.284 335 I C -0.099 175.947 176.117 -0.119 0.000 1.146 335 I CA -0.373 60.870 61.300 -0.095 0.000 1.425 335 I CB 0.110 38.042 38.000 -0.113 0.000 1.383 335 I HN 0.495 nan 8.210 nan 0.000 0.562 336 K N 6.561 126.862 120.400 -0.164 0.000 2.546 336 K HA 0.810 5.131 4.320 0.001 0.000 0.264 336 K C -1.644 174.783 176.600 -0.288 0.000 0.937 336 K CA -0.866 55.273 56.287 -0.247 0.000 0.833 336 K CB 1.820 34.199 32.500 -0.201 0.000 1.378 336 K HN 0.588 nan 8.250 nan 0.000 0.432 337 A N 0.879 123.500 122.820 -0.331 0.000 2.449 337 A HA 0.755 5.076 4.320 0.001 0.000 0.302 337 A C -1.065 176.395 177.584 -0.207 0.000 1.048 337 A CA -0.628 51.257 52.037 -0.253 0.000 0.708 337 A CB 1.636 20.525 19.000 -0.184 0.000 1.274 337 A HN 0.498 nan 8.150 nan 0.000 0.410 338 T N 2.525 117.027 114.554 -0.087 0.000 2.930 338 T HA 0.464 4.814 4.350 0.001 0.000 0.313 338 T C -0.632 174.117 174.700 0.081 0.000 1.019 338 T CA -0.025 62.102 62.100 0.046 0.000 1.004 338 T CB 0.164 69.142 68.868 0.184 0.000 0.987 338 T HN 0.399 nan 8.240 nan 0.000 0.456 339 I N 3.081 123.681 120.570 0.051 0.000 2.396 339 I HA 0.422 4.593 4.170 0.001 0.000 0.292 339 I C 0.329 176.489 176.117 0.072 0.000 0.999 339 I CA -0.342 60.985 61.300 0.046 0.000 1.310 339 I CB 1.158 39.169 38.000 0.018 0.000 1.404 339 I HN 0.366 nan 8.210 nan 0.000 0.496 340 K N 3.576 124.013 120.400 0.061 0.000 2.270 340 K HA 0.738 5.059 4.320 0.001 0.000 0.255 340 K C -0.666 175.965 176.600 0.052 0.000 0.936 340 K CA -0.423 55.901 56.287 0.062 0.000 0.809 340 K CB 1.528 34.050 32.500 0.037 0.000 1.131 340 K HN 0.715 nan 8.250 nan 0.000 0.427 341 T N 2.137 116.735 114.554 0.074 0.000 2.754 341 T HA 0.444 4.795 4.350 0.001 0.000 0.296 341 T C -0.412 174.281 174.700 -0.011 0.000 1.205 341 T CA -0.641 61.506 62.100 0.079 0.000 1.009 341 T CB 1.075 70.040 68.868 0.163 0.000 1.368 341 T HN 0.639 nan 8.240 nan 0.000 0.509 342 I N -0.304 120.206 120.570 -0.100 0.000 4.779 342 I HA 0.288 4.459 4.170 0.001 0.000 0.339 342 I C -0.331 175.603 176.117 -0.305 0.000 1.293 342 I CA -0.370 60.711 61.300 -0.365 0.000 1.324 342 I CB 0.393 38.120 38.000 -0.455 0.000 1.424 342 I HN 0.575 nan 8.210 nan 0.000 0.489 343 H N 1.153 120.290 119.070 0.112 0.000 2.604 343 H HA 0.245 4.802 4.556 0.001 0.000 0.306 343 H C 1.044 176.491 175.328 0.198 0.000 1.075 343 H CA -0.003 56.123 56.048 0.129 0.000 1.357 343 H CB 1.398 31.194 29.762 0.057 0.000 1.426 343 H HN 0.088 nan 8.280 nan 0.000 0.470 344 T N 2.030 116.756 114.554 0.286 0.000 2.580 344 T HA -0.276 4.075 4.350 0.001 0.000 0.265 344 T C 2.306 177.040 174.700 0.057 0.000 1.063 344 T CA 2.199 64.379 62.100 0.134 0.000 1.170 344 T CB -0.438 68.483 68.868 0.089 0.000 0.863 344 T HN 0.710 nan 8.240 nan 0.000 0.418 345 S N 1.766 117.506 115.700 0.066 0.000 2.393 345 S HA -0.205 4.266 4.470 0.001 0.000 0.234 345 S C 2.138 176.745 174.600 0.012 0.000 1.064 345 S CA 1.696 59.907 58.200 0.017 0.000 1.088 345 S CB -1.411 61.797 63.200 0.015 0.000 0.939 345 S HN 0.326 nan 8.310 nan 0.000 0.448 346 V N 2.795 122.752 119.914 0.071 0.000 2.261 346 V HA -0.179 3.941 4.120 0.001 0.000 0.246 346 V C 2.995 179.113 176.094 0.040 0.000 1.047 346 V CA 2.119 64.459 62.300 0.067 0.000 1.015 346 V CB -0.920 30.979 31.823 0.128 0.000 0.642 346 V HN 0.498 nan 8.190 nan 0.000 0.446 347 R N 0.254 120.779 120.500 0.042 0.000 2.132 347 R HA -0.216 4.125 4.340 0.001 0.000 0.233 347 R C 2.053 178.308 176.300 -0.075 0.000 1.125 347 R CA 2.617 58.693 56.100 -0.040 0.000 0.914 347 R CB -1.016 29.152 30.300 -0.220 0.000 0.845 347 R HN 0.546 nan 8.270 nan 0.000 0.431 348 D N -0.781 119.557 120.400 -0.103 0.000 2.327 348 D HA -0.192 4.449 4.640 0.001 0.000 0.205 348 D C 1.800 178.047 176.300 -0.089 0.000 1.036 348 D CA 1.893 55.831 54.000 -0.103 0.000 0.897 348 D CB -1.171 39.572 40.800 -0.095 0.000 1.117 348 D HN 0.555 nan 8.370 nan 0.000 0.471 349 G N 1.143 109.889 108.800 -0.090 0.000 2.661 349 G HA2 -0.314 3.647 3.960 0.001 0.000 0.224 349 G HA3 -0.314 3.647 3.960 0.001 0.000 0.224 349 G C 1.651 176.494 174.900 -0.095 0.000 1.114 349 G CA 1.089 46.119 45.100 -0.115 0.000 0.751 349 G HN 0.304 nan 8.290 nan 0.000 0.609 350 L N 0.251 121.445 121.223 -0.047 0.000 2.095 350 L HA -0.025 4.315 4.340 0.001 0.000 0.204 350 L C 2.991 179.841 176.870 -0.035 0.000 1.080 350 L CA 0.980 55.813 54.840 -0.012 0.000 0.759 350 L CB -0.197 41.873 42.059 0.018 0.000 0.914 350 L HN 0.200 nan 8.230 nan 0.000 0.439 351 V N -0.036 119.845 119.914 -0.054 0.000 2.295 351 V HA -0.262 3.859 4.120 0.001 0.000 0.246 351 V C 2.752 178.794 176.094 -0.087 0.000 1.049 351 V CA 1.881 64.141 62.300 -0.067 0.000 1.024 351 V CB -1.045 30.729 31.823 -0.083 0.000 0.648 351 V HN 0.647 nan 8.190 nan 0.000 0.447 352 S N 0.671 116.311 115.700 -0.100 0.000 2.399 352 S HA -0.174 4.296 4.470 0.001 0.000 0.231 352 S C 1.910 176.451 174.600 -0.099 0.000 1.022 352 S CA 1.705 59.838 58.200 -0.112 0.000 0.983 352 S CB -0.526 62.603 63.200 -0.118 0.000 0.803 352 S HN 0.425 nan 8.310 nan 0.000 0.480 353 L N 2.210 123.379 121.223 -0.090 0.000 2.049 353 L HA 0.377 4.718 4.340 0.001 0.000 0.203 353 L C 2.666 179.515 176.870 -0.036 0.000 1.074 353 L CA 1.545 56.340 54.840 -0.075 0.000 0.749 353 L CB -1.561 40.454 42.059 -0.073 0.000 0.907 353 L HN 0.267 nan 8.230 nan 0.000 0.439 354 A N 0.121 122.925 122.820 -0.027 0.000 1.896 354 A HA -0.317 4.003 4.320 0.001 0.000 0.220 354 A C 2.473 180.055 177.584 -0.002 0.000 1.206 354 A CA 2.483 54.513 52.037 -0.012 0.000 0.647 354 A CB -0.715 18.274 19.000 -0.020 0.000 0.828 354 A HN 0.549 nan 8.150 nan 0.000 0.455 355 R N -0.264 120.220 120.500 -0.026 0.000 2.075 355 R HA -0.102 4.238 4.340 0.001 0.000 0.232 355 R C 2.646 178.959 176.300 0.022 0.000 1.126 355 R CA 1.484 57.578 56.100 -0.009 0.000 0.963 355 R CB -0.473 29.751 30.300 -0.126 0.000 0.858 355 R HN 0.771 nan 8.270 nan 0.000 0.435 356 S N 1.074 116.768 115.700 -0.011 0.000 2.413 356 S HA -0.205 4.266 4.470 0.001 0.000 0.237 356 S C 1.907 176.528 174.600 0.034 0.000 1.044 356 S CA 1.305 59.508 58.200 0.004 0.000 1.024 356 S CB -0.448 62.741 63.200 -0.018 0.000 0.829 356 S HN 0.286 nan 8.310 nan 0.000 0.475 357 L N 0.362 121.610 121.223 0.042 0.000 2.209 357 L HA 0.271 4.612 4.340 0.001 0.000 0.207 357 L C 2.228 179.147 176.870 0.082 0.000 1.094 357 L CA 0.785 55.663 54.840 0.062 0.000 0.790 357 L CB -0.407 41.692 42.059 0.067 0.000 0.932 357 L HN 0.669 nan 8.230 nan 0.000 0.447 358 G N -0.850 108.011 108.800 0.101 0.000 2.227 358 G HA2 -0.162 3.799 3.960 0.001 0.000 0.168 358 G HA3 -0.162 3.799 3.960 0.001 0.000 0.168 358 G C -0.059 174.913 174.900 0.120 0.000 1.006 358 G CA -0.608 44.563 45.100 0.118 0.000 0.684 358 G HN 0.049 nan 8.290 nan 0.000 0.489 359 L N 1.109 122.393 121.223 0.103 0.000 2.453 359 L HA 0.585 4.926 4.340 0.001 0.000 0.261 359 L C 0.833 177.771 176.870 0.114 0.000 1.179 359 L CA -0.553 54.330 54.840 0.072 0.000 0.813 359 L CB 1.390 43.464 42.059 0.024 0.000 1.110 359 L HN -0.030 nan 8.230 nan 0.000 0.466 360 V N 2.827 122.792 119.914 0.085 0.000 2.394 360 V HA 0.445 4.566 4.120 0.001 0.000 0.282 360 V C -0.101 176.041 176.094 0.079 0.000 1.031 360 V CA -0.563 61.817 62.300 0.134 0.000 0.881 360 V CB 1.490 33.390 31.823 0.129 0.000 0.982 360 V HN 0.429 nan 8.190 nan 0.000 0.451 361 V N 3.572 123.539 119.914 0.089 0.000 2.769 361 V HA 0.863 4.984 4.120 0.001 0.000 0.312 361 V C -0.168 175.992 176.094 0.110 0.000 1.061 361 V CA -0.438 61.905 62.300 0.072 0.000 0.931 361 V CB 2.116 33.946 31.823 0.010 0.000 1.010 361 V HN 0.957 nan 8.190 nan 0.000 0.433 362 S N 2.792 118.598 115.700 0.177 0.000 2.592 362 S HA 0.714 5.185 4.470 0.001 0.000 0.275 362 S C -1.230 173.494 174.600 0.207 0.000 1.169 362 S CA -0.501 57.808 58.200 0.181 0.000 0.958 362 S CB 1.603 64.916 63.200 0.187 0.000 1.095 362 S HN 0.544 nan 8.310 nan 0.000 0.471 363 V N 3.763 123.779 119.914 0.169 0.000 2.966 363 V HA 0.676 4.797 4.120 0.001 0.000 0.317 363 V C 0.141 176.303 176.094 0.112 0.000 1.070 363 V CA -0.912 61.462 62.300 0.123 0.000 1.008 363 V CB 1.742 33.582 31.823 0.028 0.000 1.070 363 V HN 0.960 nan 8.190 nan 0.000 0.457 364 N N 1.506 120.256 118.700 0.084 0.000 2.594 364 N HA 0.420 5.161 4.740 0.001 0.000 0.280 364 N C -0.690 174.869 175.510 0.082 0.000 1.156 364 N CA -0.262 52.804 53.050 0.027 0.000 0.831 364 N CB 1.936 40.445 38.487 0.038 0.000 1.379 364 N HN 0.854 nan 8.380 nan 0.000 0.536 365 A N 2.193 125.065 122.820 0.087 0.000 2.366 365 A HA 0.319 4.640 4.320 0.001 0.000 0.249 365 A C 0.007 177.619 177.584 0.047 0.000 1.084 365 A CA -0.157 51.983 52.037 0.172 0.000 0.794 365 A CB 0.448 19.578 19.000 0.217 0.000 1.034 365 A HN 0.773 nan 8.150 nan 0.000 0.491 366 E N 1.684 121.880 120.200 -0.006 0.000 2.255 366 E HA 0.429 4.780 4.350 0.001 0.000 0.256 366 E C -2.714 173.854 176.600 -0.054 0.000 0.887 366 E CA -2.140 54.242 56.400 -0.029 0.000 0.782 366 E CB 1.469 31.144 29.700 -0.041 0.000 1.214 366 E HN 0.443 nan 8.360 nan 0.000 0.417 367 P HA -0.077 nan 4.420 nan 0.000 0.271 367 P C -0.666 176.617 177.300 -0.027 0.000 1.228 367 P CA 0.079 63.166 63.100 -0.022 0.000 0.797 367 P CB 0.498 32.195 31.700 -0.004 0.000 0.914 368 A N 0.816 123.623 122.820 -0.022 0.000 2.292 368 A HA 0.431 4.752 4.320 0.001 0.000 0.265 368 A C 0.313 177.905 177.584 0.013 0.000 1.133 368 A CA 0.602 52.635 52.037 -0.007 0.000 0.807 368 A CB -0.045 18.948 19.000 -0.011 0.000 1.102 368 A HN 0.570 nan 8.150 nan 0.000 0.502 369 K N -2.311 118.104 120.400 0.025 0.000 2.454 369 K HA 0.669 4.990 4.320 0.001 0.000 0.279 369 K C -2.205 174.346 176.600 -0.081 0.000 1.020 369 K CA -0.547 55.727 56.287 -0.022 0.000 0.850 369 K CB 1.965 34.458 32.500 -0.012 0.000 1.529 369 K HN 0.627 nan 8.250 nan 0.000 0.390 370 V N 2.001 121.830 119.914 -0.141 0.000 2.966 370 V HA 0.254 4.374 4.120 0.001 0.000 0.288 370 V C -1.717 174.277 176.094 -0.167 0.000 1.380 370 V CA -0.861 61.344 62.300 -0.159 0.000 0.966 370 V CB 2.084 33.856 31.823 -0.084 0.000 1.115 370 V HN 0.991 nan 8.190 nan 0.000 0.436 374 G N 0.767 109.528 108.800 -0.064 0.000 2.203 374 G HA2 -0.286 3.675 3.960 0.001 0.000 0.263 374 G HA3 -0.286 3.675 3.960 0.001 0.000 0.263 374 G C 0.115 174.976 174.900 -0.065 0.000 1.012 374 G CA 1.028 46.092 45.100 -0.060 0.000 0.749 374 G HN 1.215 nan 8.290 nan 0.000 0.512 375 T N -1.971 112.526 114.554 -0.096 0.000 2.882 375 T HA 0.619 4.970 4.350 0.001 0.000 0.287 375 T C 0.194 174.827 174.700 -0.111 0.000 0.992 375 T CA -0.569 61.487 62.100 -0.073 0.000 1.076 375 T CB 1.634 70.487 68.868 -0.026 0.000 0.961 375 T HN 0.352 nan 8.240 nan 0.000 0.490 376 K N 3.286 123.673 120.400 -0.022 0.000 2.231 376 K HA 0.230 4.551 4.320 0.001 0.000 0.275 376 K C 0.245 176.904 176.600 0.098 0.000 1.105 376 K CA -0.427 55.858 56.287 -0.004 0.000 0.931 376 K CB 0.212 32.713 32.500 0.002 0.000 1.296 376 K HN 0.686 nan 8.250 nan 0.000 0.446 377 H N 1.655 120.700 119.070 -0.043 0.000 2.639 377 H HA 0.186 4.743 4.556 0.001 0.000 0.373 377 H C 0.011 175.294 175.328 -0.074 0.000 1.372 377 H CA -0.254 55.759 56.048 -0.058 0.000 1.448 377 H CB 0.960 30.688 29.762 -0.057 0.000 1.544 377 H HN 0.282 nan 8.280 nan 0.000 0.615 378 K N 0.670 121.067 120.400 -0.005 0.000 2.340 378 K HA 0.204 4.524 4.320 0.001 0.000 0.244 378 K C -0.854 175.649 176.600 -0.163 0.000 0.973 378 K CA -1.196 55.037 56.287 -0.089 0.000 0.828 378 K CB 2.209 34.628 32.500 -0.134 0.000 1.226 378 K HN 0.254 nan 8.250 nan 0.000 0.437 379 I N 1.945 122.399 120.570 -0.193 0.000 2.845 379 I HA -0.087 4.084 4.170 0.001 0.000 0.290 379 I C -0.151 175.626 176.117 -0.568 0.000 1.202 379 I CA 1.026 62.151 61.300 -0.292 0.000 1.406 379 I CB -0.324 37.538 38.000 -0.230 0.000 1.383 379 I HN 0.485 nan 8.210 nan 0.000 0.549 380 S N 6.510 121.915 115.700 -0.492 0.000 2.593 380 S HA 0.697 5.168 4.470 0.001 0.000 0.297 380 S C -1.256 173.062 174.600 -0.470 0.000 1.112 380 S CA -0.413 57.479 58.200 -0.513 0.000 1.043 380 S CB 0.663 63.715 63.200 -0.245 0.000 1.054 380 S HN 0.387 nan 8.310 nan 0.000 0.516 381 Y N 0.830 121.110 120.300 -0.035 0.000 2.361 381 Y HA 0.643 5.193 4.550 0.001 0.000 0.337 381 Y C 0.216 176.119 175.900 0.006 0.000 0.965 381 Y CA -1.260 56.831 58.100 -0.015 0.000 1.091 381 Y CB 1.770 40.223 38.460 -0.012 0.000 1.182 381 Y HN 0.754 nan 8.280 nan 0.000 0.450 382 A N 4.916 127.844 122.820 0.180 0.000 2.937 382 A HA 0.386 4.707 4.320 0.001 0.000 0.338 382 A C -0.276 177.404 177.584 0.160 0.000 1.273 382 A CA -0.571 51.551 52.037 0.141 0.000 0.937 382 A CB -0.289 18.780 19.000 0.114 0.000 1.133 382 A HN 0.738 nan 8.150 nan 0.000 0.491 383 I N 2.356 123.014 120.570 0.146 0.000 2.662 383 I HA 0.171 4.341 4.170 0.001 0.000 0.285 383 I C -0.693 175.527 176.117 0.171 0.000 1.161 383 I CA 0.616 61.995 61.300 0.131 0.000 1.415 383 I CB 0.046 38.092 38.000 0.075 0.000 1.385 383 I HN 0.636 nan 8.210 nan 0.000 0.552 387 G N -0.284 108.486 108.800 -0.050 0.000 3.442 387 G HA2 0.523 4.484 3.960 0.001 0.000 0.224 387 G HA3 0.523 4.484 3.960 0.001 0.000 0.224 387 G C 1.315 176.208 174.900 -0.011 0.000 0.988 387 G CA 0.814 45.907 45.100 -0.011 0.000 1.133 387 G HN 2.297 nan 8.290 nan 0.000 0.659 388 G N 0.997 109.779 108.800 -0.029 0.000 2.578 388 G HA2 -0.313 3.647 3.960 0.001 0.000 0.313 388 G HA3 -0.313 3.647 3.960 0.001 0.000 0.313 388 G C 0.953 175.813 174.900 -0.067 0.000 1.324 388 G CA 1.183 46.261 45.100 -0.038 0.000 0.955 388 G HN 0.571 nan 8.290 nan 0.000 0.541 389 D N -0.468 119.887 120.400 -0.075 0.000 2.472 389 D HA -0.209 4.432 4.640 0.001 0.000 0.194 389 D C 2.662 178.797 176.300 -0.275 0.000 1.023 389 D CA 2.500 56.377 54.000 -0.205 0.000 0.869 389 D CB -0.999 39.722 40.800 -0.131 0.000 0.997 389 D HN 0.515 nan 8.370 nan 0.000 0.463 390 V N 0.312 120.229 119.914 0.005 0.000 2.280 390 V HA -0.298 3.822 4.120 0.001 0.000 0.258 390 V C 2.418 178.511 176.094 -0.002 0.000 1.081 390 V CA 2.099 64.492 62.300 0.155 0.000 1.070 390 V CB -0.657 31.277 31.823 0.185 0.000 0.666 390 V HN 0.197 nan 8.190 nan 0.000 0.450 391 L N -1.144 120.047 121.223 -0.053 0.000 2.072 391 L HA -0.027 4.313 4.340 0.001 0.000 0.205 391 L C 2.120 178.908 176.870 -0.138 0.000 1.079 391 L CA 1.650 56.440 54.840 -0.085 0.000 0.752 391 L CB -0.710 41.290 42.059 -0.099 0.000 0.906 391 L HN 0.182 nan 8.230 nan 0.000 0.436 392 L N 0.481 121.592 121.223 -0.186 0.000 1.971 392 L HA -0.268 4.073 4.340 0.001 0.000 0.215 392 L C 2.409 179.127 176.870 -0.253 0.000 1.072 392 L CA 2.081 56.781 54.840 -0.233 0.000 0.758 392 L CB -1.440 40.467 42.059 -0.254 0.000 0.889 392 L HN 0.467 nan 8.230 nan 0.000 0.433 393 N N -1.321 117.175 118.700 -0.341 0.000 2.322 393 N HA -0.177 4.564 4.740 0.001 0.000 0.189 393 N C 1.681 177.122 175.510 -0.115 0.000 1.012 393 N CA 1.213 54.086 53.050 -0.296 0.000 0.880 393 N CB -0.006 38.200 38.487 -0.469 0.000 0.967 393 N HN 0.230 nan 8.380 nan 0.000 0.439 394 V N -0.010 119.848 119.914 -0.092 0.000 2.302 394 V HA -0.120 4.001 4.120 0.001 0.000 0.243 394 V C 2.130 178.193 176.094 -0.051 0.000 1.036 394 V CA 1.117 63.396 62.300 -0.035 0.000 1.020 394 V CB -0.458 31.346 31.823 -0.032 0.000 0.657 394 V HN 0.255 nan 8.190 nan 0.000 0.453 395 L N 1.190 122.346 121.223 -0.111 0.000 2.081 395 L HA -0.229 4.112 4.340 0.001 0.000 0.212 395 L C 2.680 179.450 176.870 -0.166 0.000 1.080 395 L CA 2.044 56.797 54.840 -0.145 0.000 0.754 395 L CB -0.935 40.991 42.059 -0.222 0.000 0.893 395 L HN 0.548 nan 8.230 nan 0.000 0.433 396 S N -0.381 115.205 115.700 -0.191 0.000 2.440 396 S HA -0.215 4.256 4.470 0.001 0.000 0.240 396 S C 1.466 176.132 174.600 0.109 0.000 1.014 396 S CA 1.113 59.239 58.200 -0.122 0.000 0.980 396 S CB -0.467 62.682 63.200 -0.084 0.000 0.775 396 S HN 0.493 nan 8.310 nan 0.000 0.499 397 K N 0.275 120.721 120.400 0.076 0.000 2.577 397 K HA 0.315 4.636 4.320 0.001 0.000 0.210 397 K C -0.442 176.235 176.600 0.128 0.000 1.048 397 K CA -0.322 56.036 56.287 0.119 0.000 1.188 397 K CB -0.065 32.507 32.500 0.120 0.000 0.910 397 K HN 0.330 nan 8.250 nan 0.000 0.483 398 C N -0.327 119.076 119.300 0.172 0.000 2.401 398 C HA 0.547 5.008 4.460 0.001 0.000 0.356 398 C C 1.628 176.699 174.990 0.135 0.000 1.192 398 C CA -0.494 58.624 59.018 0.166 0.000 2.028 398 C CB 1.428 29.247 27.740 0.130 0.000 2.344 398 C HN 0.560 nan 8.230 nan 0.000 0.525 399 A N 0.915 123.759 122.820 0.039 0.000 2.055 399 A HA 0.459 4.779 4.320 0.001 0.000 0.205 399 A C 1.231 178.817 177.584 0.003 0.000 1.235 399 A CA 0.742 52.743 52.037 -0.061 0.000 0.822 399 A CB -0.915 17.971 19.000 -0.191 0.000 0.903 399 A HN 1.088 nan 8.150 nan 0.000 0.473 400 G N 0.558 109.388 108.800 0.050 0.000 2.474 400 G HA2 0.260 4.221 3.960 0.001 0.000 0.233 400 G HA3 0.260 4.221 3.960 0.001 0.000 0.233 400 G C 1.126 176.074 174.900 0.079 0.000 1.278 400 G CA 0.481 45.611 45.100 0.050 0.000 0.861 400 G HN 0.719 nan 8.290 nan 0.000 0.567 401 S N 1.088 116.821 115.700 0.055 0.000 2.345 401 S HA -0.131 4.339 4.470 0.001 0.000 0.219 401 S C 1.948 176.603 174.600 0.092 0.000 1.031 401 S CA 1.332 59.571 58.200 0.065 0.000 0.984 401 S CB -0.243 62.979 63.200 0.036 0.000 0.874 401 S HN 0.756 nan 8.310 nan 0.000 0.451 402 K N 1.648 122.090 120.400 0.069 0.000 2.365 402 K HA 0.097 4.418 4.320 0.001 0.000 0.199 402 K C 1.844 178.475 176.600 0.052 0.000 1.045 402 K CA 0.791 57.117 56.287 0.065 0.000 0.962 402 K CB -0.112 32.430 32.500 0.070 0.000 0.759 402 K HN 0.385 nan 8.250 nan 0.000 0.469 403 K N 0.694 121.130 120.400 0.060 0.000 2.172 403 K HA 0.060 4.381 4.320 0.001 0.000 0.203 403 K C 0.612 177.219 176.600 0.011 0.000 1.040 403 K CA -0.327 55.975 56.287 0.024 0.000 0.974 403 K CB -0.234 32.282 32.500 0.028 0.000 0.857 403 K HN 0.012 nan 8.250 nan 0.000 0.464 404 F N 3.055 122.987 119.950 -0.030 0.000 2.613 404 F HA -0.163 4.364 4.527 0.001 0.000 0.373 404 F C -0.060 175.717 175.800 -0.039 0.000 1.085 404 F CA 0.635 58.614 58.000 -0.035 0.000 1.309 404 F CB 0.456 39.435 39.000 -0.035 0.000 0.986 404 F HN -0.035 nan 8.300 nan 0.000 0.592 405 R N 5.130 124.620 120.500 -1.684 0.000 2.536 405 R HA 0.276 4.617 4.340 0.001 0.000 0.269 405 R C -2.841 172.720 176.300 -1.232 0.000 1.113 405 R CA -2.042 53.333 56.100 -1.208 0.000 0.948 405 R CB 1.613 31.597 30.300 -0.527 0.000 1.237 405 R HN 0.351 nan 8.270 nan 0.000 0.441 406 P HA -0.072 nan 4.420 nan 0.000 0.266 406 P C -0.496 176.679 177.300 -0.208 0.000 1.186 406 P CA 0.400 63.359 63.100 -0.235 0.000 0.767 406 P CB 0.550 32.221 31.700 -0.049 0.000 0.820 407 A N 4.775 127.538 122.820 -0.094 0.000 2.440 407 A HA 0.377 4.698 4.320 0.001 0.000 0.251 407 A C -1.933 175.569 177.584 -0.136 0.000 1.089 407 A CA -1.062 50.904 52.037 -0.118 0.000 0.779 407 A CB -1.180 17.797 19.000 -0.039 0.000 1.022 407 A HN 0.434 nan 8.150 nan 0.000 0.492 408 P HA 0.091 nan 4.420 nan 0.000 0.267 408 P C 1.202 178.448 177.300 -0.091 0.000 1.195 408 P CA 0.739 63.702 63.100 -0.227 0.000 0.773 408 P CB 0.502 31.897 31.700 -0.508 0.000 0.837 409 A N 2.150 124.948 122.820 -0.037 0.000 1.891 409 A HA 0.058 4.378 4.320 0.001 0.000 0.221 409 A C 0.914 178.530 177.584 0.053 0.000 1.394 409 A CA 2.522 54.569 52.037 0.016 0.000 0.730 409 A CB -1.423 17.597 19.000 0.033 0.000 0.845 409 A HN 0.879 nan 8.150 nan 0.000 0.471 410 A N -5.359 117.531 122.820 0.116 0.000 2.517 410 A HA 0.648 4.969 4.320 0.001 0.000 0.296 410 A C 0.598 178.314 177.584 0.221 0.000 0.983 410 A CA 0.342 52.480 52.037 0.168 0.000 0.634 410 A CB -0.895 18.163 19.000 0.097 0.000 1.341 410 A HN 2.358 nan 8.150 nan 0.000 0.438 411 A N -0.280 122.658 122.820 0.196 0.000 2.500 411 A HA 0.047 4.368 4.320 0.001 0.000 0.296 411 A C 0.236 177.860 177.584 0.067 0.000 1.469 411 A CA 1.524 53.600 52.037 0.065 0.000 0.793 411 A CB -2.334 16.683 19.000 0.028 0.000 1.042 411 A HN 2.179 nan 8.150 nan 0.000 0.409 412 F N -1.825 118.129 119.950 0.007 0.000 2.529 412 F HA 0.596 5.124 4.527 0.001 0.000 0.365 412 F C 0.646 176.451 175.800 0.009 0.000 1.102 412 F CA -1.623 56.380 58.000 0.005 0.000 1.271 412 F CB -0.111 38.889 39.000 0.001 0.000 1.120 412 F HN 0.679 nan 8.300 nan 0.000 0.579 413 A N 4.371 127.182 122.820 -0.014 0.000 2.388 413 A HA 0.432 4.753 4.320 0.001 0.000 0.257 413 A C 0.540 178.079 177.584 -0.076 0.000 1.095 413 A CA -0.841 51.144 52.037 -0.087 0.000 0.791 413 A CB 0.167 19.161 19.000 -0.010 0.000 1.029 413 A HN 0.893 nan 8.150 nan 0.000 0.489 414 R N 1.918 122.345 120.500 -0.121 0.000 4.017 414 R HA 0.130 4.471 4.340 0.001 0.000 0.272 414 R C -0.462 175.829 176.300 -0.015 0.000 1.516 414 R CA -0.278 55.788 56.100 -0.058 0.000 1.519 414 R CB 0.189 30.431 30.300 -0.097 0.000 1.422 414 R HN 0.748 nan 8.270 nan 0.000 0.719 415 E N 0.462 120.666 120.200 0.006 0.000 2.422 415 E HA -0.009 4.342 4.350 0.001 0.000 0.260 415 E C 0.331 176.920 176.600 -0.018 0.000 1.108 415 E CA -0.011 56.395 56.400 0.009 0.000 0.943 415 E CB 0.819 30.542 29.700 0.037 0.000 0.961 415 E HN 0.308 nan 8.360 nan 0.000 0.443 416 C N 1.798 121.075 119.300 -0.039 0.000 2.700 416 C HA 0.231 4.691 4.460 0.001 0.000 0.397 416 C C 0.772 175.649 174.990 -0.187 0.000 1.301 416 C CA -0.645 58.308 59.018 -0.109 0.000 2.219 416 C CB -0.296 27.387 27.740 -0.095 0.000 2.699 416 C HN 0.405 nan 8.230 nan 0.000 0.669 417 R N 1.049 121.291 120.500 -0.430 0.000 2.514 417 R HA 0.586 4.927 4.340 0.001 0.000 0.301 417 R C 0.213 176.264 176.300 -0.414 0.000 0.962 417 R CA -0.087 55.720 56.100 -0.488 0.000 0.882 417 R CB 1.195 31.020 30.300 -0.792 0.000 1.143 417 R HN 0.981 nan 8.270 nan 0.000 0.452 418 G N 1.482 110.217 108.800 -0.108 0.000 2.462 418 G HA2 0.648 4.609 3.960 0.001 0.000 0.319 418 G HA3 0.648 4.609 3.960 0.001 0.000 0.319 418 G C -0.989 174.015 174.900 0.172 0.000 1.171 418 G CA -0.473 44.738 45.100 0.185 0.000 0.920 418 G HN 0.451 nan 8.290 nan 0.000 0.499 419 F N -1.259 118.737 119.950 0.077 0.000 2.588 419 F HA 0.607 5.135 4.527 0.001 0.000 0.314 419 F C -1.561 174.370 175.800 0.217 0.000 1.134 419 F CA -2.262 55.775 58.000 0.062 0.000 0.961 419 F CB 0.757 39.873 39.000 0.193 0.000 1.239 419 F HN 0.398 nan 8.300 nan 0.000 0.448 420 Y N 4.126 124.652 120.300 0.377 0.000 2.411 420 Y HA 0.457 5.008 4.550 0.001 0.000 0.333 420 Y C 0.183 176.343 175.900 0.434 0.000 1.186 420 Y CA -0.425 57.866 58.100 0.318 0.000 1.381 420 Y CB 0.376 38.926 38.460 0.149 0.000 1.273 420 Y HN 0.655 nan 8.280 nan 0.000 0.546 421 F N -1.463 118.616 119.950 0.216 0.000 2.876 421 F HA 0.819 5.346 4.527 0.001 0.000 0.358 421 F C -0.875 175.000 175.800 0.125 0.000 1.209 421 F CA -2.081 56.032 58.000 0.187 0.000 1.051 421 F CB 1.136 40.215 39.000 0.132 0.000 1.474 421 F HN 0.294 nan 8.300 nan 0.000 0.521 422 E N 0.054 120.394 120.200 0.234 0.000 2.317 422 E HA 0.628 4.979 4.350 0.001 0.000 0.270 422 E C -2.166 174.526 176.600 0.153 0.000 0.885 422 E CA -0.982 55.468 56.400 0.083 0.000 0.760 422 E CB 2.982 32.747 29.700 0.108 0.000 1.227 422 E HN 0.624 nan 8.360 nan 0.000 0.434 423 L N 2.677 123.945 121.223 0.076 0.000 2.386 423 L HA 0.479 4.820 4.340 0.001 0.000 0.271 423 L C -1.519 175.424 176.870 0.122 0.000 0.993 423 L CA -0.380 54.536 54.840 0.125 0.000 0.819 423 L CB 1.787 43.909 42.059 0.105 0.000 1.294 423 L HN 0.420 nan 8.230 nan 0.000 0.414 424 Q N 2.547 122.432 119.800 0.143 0.000 2.323 424 Q HA 0.391 4.732 4.340 0.001 0.000 0.271 424 Q C -1.402 174.604 176.000 0.010 0.000 1.048 424 Q CA -0.329 55.522 55.803 0.081 0.000 0.792 424 Q CB 1.877 30.633 28.738 0.029 0.000 1.280 424 Q HN 0.611 nan 8.270 nan 0.000 0.441 425 E N 2.764 122.893 120.200 -0.118 0.000 2.180 425 E HA 0.231 4.581 4.350 0.001 0.000 0.283 425 E C -0.675 175.739 176.600 -0.309 0.000 1.061 425 E CA -0.229 55.894 56.400 -0.461 0.000 0.861 425 E CB 0.680 30.197 29.700 -0.304 0.000 1.056 425 E HN 0.481 nan 8.360 nan 0.000 0.407 426 L N 3.177 124.191 121.223 -0.349 0.000 2.347 426 L HA 0.402 4.743 4.340 0.001 0.000 0.268 426 L C -0.297 176.478 176.870 -0.158 0.000 1.019 426 L CA -0.533 54.201 54.840 -0.177 0.000 0.806 426 L CB 1.038 43.032 42.059 -0.108 0.000 1.339 426 L HN 0.250 nan 8.230 nan 0.000 0.463 427 K N 1.563 121.913 120.400 -0.083 0.000 2.270 427 K HA 0.114 4.435 4.320 0.001 0.000 0.276 427 K C -0.084 176.497 176.600 -0.033 0.000 1.023 427 K CA -0.342 55.913 56.287 -0.055 0.000 0.955 427 K CB 0.519 33.002 32.500 -0.028 0.000 0.975 427 K HN 0.794 nan 8.250 nan 0.000 0.471 428 E N 2.350 122.537 120.200 -0.021 0.000 2.537 428 E HA -0.200 4.151 4.350 0.001 0.000 0.269 428 E C -0.948 175.668 176.600 0.027 0.000 1.038 428 E CA 0.860 57.266 56.400 0.010 0.000 0.977 428 E CB 0.465 30.172 29.700 0.011 0.000 0.973 428 E HN 0.712 nan 8.360 nan 0.000 0.456 429 D N 1.406 121.839 120.400 0.055 0.000 2.783 429 D HA 0.099 4.740 4.640 0.001 0.000 0.253 429 D C -1.682 174.653 176.300 0.058 0.000 1.206 429 D CA -0.561 53.473 54.000 0.057 0.000 0.740 429 D CB 0.888 41.732 40.800 0.073 0.000 1.313 429 D HN 0.339 nan 8.370 nan 0.000 0.427 430 D N 0.905 121.307 120.400 0.003 0.000 2.449 430 D HA 0.208 4.849 4.640 0.001 0.000 0.236 430 D C -0.270 175.980 176.300 -0.083 0.000 1.149 430 D CA 0.850 54.757 54.000 -0.154 0.000 0.878 430 D CB 0.266 40.961 40.800 -0.176 0.000 1.198 430 D HN 0.343 nan 8.370 nan 0.000 0.446 431 Y N -0.857 119.301 120.300 -0.237 0.000 2.512 431 Y HA 0.592 5.143 4.550 0.001 0.000 0.348 431 Y C -1.708 173.980 175.900 -0.353 0.000 0.990 431 Y CA -1.500 56.537 58.100 -0.105 0.000 1.033 431 Y CB 0.713 39.176 38.460 0.006 0.000 1.259 431 Y HN 0.172 nan 8.280 nan 0.000 0.461 432 Y N 1.502 122.051 120.300 0.415 0.000 2.409 432 Y HA 0.842 5.393 4.550 0.001 0.000 0.343 432 Y C 0.374 176.527 175.900 0.421 0.000 0.973 432 Y CA -1.194 57.104 58.100 0.330 0.000 1.064 432 Y CB 2.434 41.018 38.460 0.207 0.000 1.207 432 Y HN 1.055 nan 8.280 nan 0.000 0.452 433 G N 1.571 110.651 108.800 0.466 0.000 2.660 433 G HA2 0.698 4.659 3.960 0.001 0.000 0.294 433 G HA3 0.698 4.659 3.960 0.001 0.000 0.294 433 G C -1.797 173.268 174.900 0.274 0.000 1.369 433 G CA -0.952 44.397 45.100 0.414 0.000 0.912 433 G HN 0.654 nan 8.290 nan 0.000 0.479 434 I N -2.255 118.451 120.570 0.226 0.000 2.892 434 I HA 0.877 5.047 4.170 0.001 0.000 0.306 434 I C -0.455 175.690 176.117 0.047 0.000 1.078 434 I CA -0.912 60.431 61.300 0.072 0.000 1.032 434 I CB 2.399 40.358 38.000 -0.069 0.000 1.229 434 I HN 0.318 nan 8.210 nan 0.000 0.435 435 T N 5.223 119.783 114.554 0.010 0.000 2.824 435 T HA 0.704 5.055 4.350 0.001 0.000 0.282 435 T C -0.307 174.391 174.700 -0.003 0.000 0.993 435 T CA -0.385 61.726 62.100 0.018 0.000 0.967 435 T CB 1.111 69.999 68.868 0.033 0.000 0.960 435 T HN 0.512 nan 8.240 nan 0.000 0.441 436 L N 1.550 122.785 121.223 0.020 0.000 2.387 436 L HA 0.599 4.940 4.340 0.001 0.000 0.266 436 L C 1.052 177.930 176.870 0.013 0.000 1.059 436 L CA -0.846 53.987 54.840 -0.012 0.000 0.801 436 L CB 0.932 42.970 42.059 -0.034 0.000 1.223 436 L HN 0.557 nan 8.230 nan 0.000 0.456 437 S N -0.216 115.463 115.700 -0.036 0.000 2.573 437 S HA -0.019 4.452 4.470 0.001 0.000 0.277 437 S C 0.857 175.419 174.600 -0.062 0.000 1.346 437 S CA -0.455 57.730 58.200 -0.025 0.000 1.034 437 S CB 0.343 63.520 63.200 -0.038 0.000 0.879 437 S HN 0.695 nan 8.310 nan 0.000 0.528 438 D N 2.468 122.883 120.400 0.026 0.000 2.120 438 D HA -0.188 4.453 4.640 0.001 0.000 0.191 438 D C 1.325 177.570 176.300 -0.092 0.000 0.994 438 D CA 1.789 55.837 54.000 0.080 0.000 0.838 438 D CB -0.598 40.266 40.800 0.107 0.000 0.976 438 D HN 0.887 nan 8.370 nan 0.000 0.447 439 D N 1.401 121.769 120.400 -0.053 0.000 2.417 439 D HA -0.110 4.531 4.640 0.001 0.000 0.225 439 D C 1.070 177.304 176.300 -0.110 0.000 0.983 439 D CA 0.362 54.329 54.000 -0.055 0.000 0.949 439 D CB -0.310 40.474 40.800 -0.026 0.000 0.879 439 D HN 0.170 nan 8.370 nan 0.000 0.520 440 S N 0.554 116.117 115.700 -0.229 0.000 2.666 440 S HA 0.181 4.652 4.470 0.001 0.000 0.279 440 S C 0.533 174.974 174.600 -0.265 0.000 1.149 440 S CA -0.382 57.691 58.200 -0.212 0.000 1.020 440 S CB 1.125 64.200 63.200 -0.209 0.000 1.127 440 S HN -0.048 nan 8.310 nan 0.000 0.537 441 D N -1.543 118.782 120.400 -0.126 0.000 2.347 441 D HA 0.108 4.749 4.640 0.001 0.000 0.213 441 D C 0.195 176.565 176.300 0.117 0.000 0.985 441 D CA 0.640 54.644 54.000 0.007 0.000 0.879 441 D CB -0.695 40.138 40.800 0.055 0.000 0.919 441 D HN 0.826 nan 8.370 nan 0.000 0.526 442 H N -1.370 117.741 119.070 0.068 0.000 3.237 442 H HA -0.167 4.390 4.556 0.001 0.000 0.231 442 H C -0.613 174.682 175.328 -0.056 0.000 1.148 442 H CA 1.149 57.197 56.048 0.000 0.000 1.155 442 H CB -1.759 28.049 29.762 0.077 0.000 1.210 442 H HN 0.434 nan 8.280 nan 0.000 0.317 443 Q N 0.288 120.186 119.800 0.162 0.000 2.375 443 Q HA 0.616 4.957 4.340 0.001 0.000 0.271 443 Q C -0.519 175.594 176.000 0.188 0.000 1.074 443 Q CA -1.144 54.746 55.803 0.146 0.000 0.808 443 Q CB 2.715 31.525 28.738 0.120 0.000 1.327 443 Q HN 0.177 nan 8.270 nan 0.000 0.441 444 F N -0.835 119.110 119.950 -0.007 0.000 2.640 444 F HA 0.765 5.293 4.527 0.001 0.000 0.324 444 F C -1.643 174.124 175.800 -0.055 0.000 1.077 444 F CA -1.694 56.282 58.000 -0.040 0.000 0.965 444 F CB 0.772 39.736 39.000 -0.061 0.000 1.351 444 F HN 0.333 nan 8.300 nan 0.000 0.487 445 L N 2.402 123.641 121.223 0.026 0.000 2.325 445 L HA 0.482 4.823 4.340 0.001 0.000 0.279 445 L C 0.185 176.993 176.870 -0.103 0.000 1.054 445 L CA -0.401 54.370 54.840 -0.116 0.000 0.804 445 L CB 1.233 43.273 42.059 -0.033 0.000 1.200 445 L HN 0.685 nan 8.230 nan 0.000 0.436 446 L N 1.354 122.426 121.223 -0.251 0.000 2.777 446 L HA 0.351 4.692 4.340 0.001 0.000 0.195 446 L C 1.422 178.214 176.870 -0.130 0.000 1.190 446 L CA 0.008 54.712 54.840 -0.226 0.000 0.933 446 L CB 0.164 42.011 42.059 -0.353 0.000 1.758 446 L HN 0.783 nan 8.230 nan 0.000 0.515 447 A N -0.012 122.730 122.820 -0.130 0.000 2.044 447 A HA -0.045 4.275 4.320 0.001 0.000 0.213 447 A C 1.260 178.771 177.584 -0.123 0.000 1.169 447 A CA 0.609 52.584 52.037 -0.104 0.000 0.724 447 A CB -0.484 18.461 19.000 -0.091 0.000 0.840 447 A HN 0.821 nan 8.150 nan 0.000 0.463 448 N N -0.268 118.341 118.700 -0.150 0.000 2.362 448 N HA 0.055 4.796 4.740 0.001 0.000 0.211 448 N C 0.221 175.592 175.510 -0.231 0.000 1.170 448 N CA 0.515 53.453 53.050 -0.186 0.000 0.828 448 N CB -0.267 38.109 38.487 -0.185 0.000 1.034 448 N HN 0.563 nan 8.380 nan 0.000 0.475 449 Q N -2.140 117.562 119.800 -0.165 0.000 2.305 449 Q HA -0.151 4.189 4.340 0.001 0.000 0.203 449 Q C -0.911 175.062 176.000 -0.044 0.000 0.663 449 Q CA 0.851 56.592 55.803 -0.104 0.000 1.389 449 Q CB -1.729 26.944 28.738 -0.107 0.000 1.566 449 Q HN 0.315 nan 8.270 nan 0.000 0.755 450 V N 1.764 121.609 119.914 -0.115 0.000 2.521 450 V HA 0.066 4.187 4.120 0.001 0.000 0.286 450 V C 0.771 176.784 176.094 -0.135 0.000 1.034 450 V CA 0.118 62.389 62.300 -0.047 0.000 1.045 450 V CB 1.259 33.011 31.823 -0.118 0.000 0.974 450 V HN 0.068 nan 8.190 nan 0.000 0.480 451 V N 6.961 126.839 119.914 -0.059 0.000 2.415 451 V HA 0.308 4.428 4.120 0.001 0.000 0.267 451 V C 0.201 176.164 176.094 -0.218 0.000 1.042 451 V CA -0.060 62.157 62.300 -0.138 0.000 1.000 451 V CB 0.662 32.442 31.823 -0.072 0.000 1.015 451 V HN 0.741 nan 8.190 nan 0.000 0.478 452 V N 1.782 121.490 119.914 -0.344 0.000 3.074 452 V HA 0.622 4.743 4.120 0.001 0.000 0.314 452 V C -0.294 175.720 176.094 -0.133 0.000 1.117 452 V CA -0.875 61.264 62.300 -0.269 0.000 1.014 452 V CB 2.039 33.645 31.823 -0.362 0.000 1.057 452 V HN 0.847 nan 8.190 nan 0.000 0.438 453 H N 2.227 121.334 119.070 0.061 0.000 2.496 453 H HA 0.482 5.039 4.556 0.001 0.000 0.342 453 H C -0.267 175.206 175.328 0.242 0.000 1.170 453 H CA -0.294 55.819 56.048 0.108 0.000 1.274 453 H CB 2.035 31.812 29.762 0.024 0.000 1.538 453 H HN 1.015 nan 8.280 nan 0.000 0.542 454 N N 0.000 118.516 118.700 -0.307 0.000 1.763 454 N HA 0.000 4.741 4.740 0.001 0.000 0.220 454 N CA 0.000 53.100 53.050 0.084 0.000 0.885 454 N CB 0.000 38.520 38.487 0.054 0.000 1.341 454 N HN 0.000 nan 8.380 nan 0.000 0.667