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 3l0o_1_B DATA FIRST_RESID 58 DATA SEQUENCE GEGVLEIHPE GFGFLRRIED NLLPSNDDIY ISPSQIRKFN LNTGDIISGV DATA SEQUENCE IXXXXXXXXX XAMIKIEAIN YRPXXXXXXR VNFDNLTPDY PRERFILETD DATA SEQUENCE PKIYSTRLID LFAPIGKGQR GMIVAPPKAG KTTILKEIAN GIAENHPDTI DATA SEQUENCE RIILLIDERP EEVTDIREST NAIVIAAPFD MPPDKQVKVA ELTLEMAKRL DATA SEQUENCE VEFNYDVVIL LDSLTRLARV YNIVVPPSGK LLTGGVDPAA LYKPKRFFGA DATA SEQUENCE ARNTREGGSL TIIATALVET GSKMDEVIFE EFKGTGNMEL VLSRQLANKR DATA SEQUENCE IFPAINLLLS GTRREELLLD EETLKKVWLL RRMLSAMTEE EGLTLILNKL DATA SEQUENCE SETSSNEEFL KLI 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 58 G HA2 0.000 nan 3.960 nan 0.000 0.244 58 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 58 G C 0.000 174.903 174.900 0.005 0.000 0.946 58 G CA 0.000 45.106 45.100 0.010 0.000 0.502 59 E N -1.174 119.026 120.200 0.000 0.000 2.407 59 E HA 0.779 5.129 4.350 0.001 0.000 0.279 59 E C -0.263 176.323 176.600 -0.022 0.000 1.012 59 E CA -0.627 55.765 56.400 -0.013 0.000 0.800 59 E CB 1.918 31.622 29.700 0.006 0.000 1.276 59 E HN 1.803 nan 8.360 nan 0.000 0.452 60 G N -0.091 108.680 108.800 -0.048 0.000 2.430 60 G HA2 0.412 4.372 3.960 0.001 0.000 0.300 60 G HA3 0.412 4.372 3.960 0.001 0.000 0.300 60 G C -1.598 173.250 174.900 -0.087 0.000 1.330 60 G CA -0.446 44.623 45.100 -0.051 0.000 0.813 60 G HN 0.475 nan 8.290 nan 0.000 0.487 61 V N 2.123 121.991 119.914 -0.077 0.000 2.311 61 V HA 0.372 4.492 4.120 0.001 0.000 0.275 61 V C 0.842 176.877 176.094 -0.098 0.000 1.022 61 V CA -0.829 61.411 62.300 -0.101 0.000 0.830 61 V CB 1.052 32.825 31.823 -0.083 0.000 1.012 61 V HN 0.721 nan 8.190 nan 0.000 0.452 62 L N 4.268 125.414 121.223 -0.129 0.000 2.554 62 L HA 0.121 4.462 4.340 0.001 0.000 0.293 62 L C 0.494 177.274 176.870 -0.150 0.000 1.252 62 L CA 1.158 55.911 54.840 -0.145 0.000 0.862 62 L CB 0.587 42.549 42.059 -0.162 0.000 1.113 62 L HN 0.746 nan 8.230 nan 0.000 0.510 63 E N 5.172 125.243 120.200 -0.215 0.000 3.544 63 E HA 0.202 4.552 4.350 0.001 0.000 0.264 63 E C -0.400 175.934 176.600 -0.445 0.000 1.225 63 E CA -0.344 55.904 56.400 -0.253 0.000 1.045 63 E CB 0.419 30.001 29.700 -0.197 0.000 1.338 63 E HN 0.558 nan 8.360 nan 0.000 0.395 64 I N 3.224 123.592 120.570 -0.337 0.000 3.045 64 I HA -0.189 3.981 4.170 0.001 0.000 0.306 64 I C 0.783 176.691 176.117 -0.348 0.000 1.232 64 I CA 0.943 62.024 61.300 -0.364 0.000 1.415 64 I CB -0.104 37.776 38.000 -0.201 0.000 1.364 64 I HN 0.159 nan 8.210 nan 0.000 0.538 65 H N 8.565 127.246 119.070 -0.649 0.000 2.546 65 H HA 0.179 4.735 4.556 0.001 0.000 0.365 65 H C -1.317 173.794 175.328 -0.361 0.000 1.220 65 H CA -2.219 53.441 56.048 -0.646 0.000 1.386 65 H CB 0.330 29.332 29.762 -1.266 0.000 1.510 65 H HN 0.312 nan 8.280 nan 0.000 0.591 66 P HA -0.183 nan 4.420 nan 0.000 0.217 66 P C 0.749 178.062 177.300 0.022 0.000 1.151 66 P CA 1.603 64.691 63.100 -0.021 0.000 0.849 66 P CB 0.521 32.212 31.700 -0.014 0.000 0.787 67 E N -1.341 118.915 120.200 0.094 0.000 1.998 67 E HA 0.075 4.425 4.350 0.001 0.000 0.195 67 E C 1.930 178.595 176.600 0.108 0.000 0.994 67 E CA 1.873 58.364 56.400 0.152 0.000 0.835 67 E CB -1.016 28.869 29.700 0.308 0.000 0.786 67 E HN 0.307 nan 8.360 nan 0.000 0.467 68 G N -0.821 108.064 108.800 0.141 0.000 4.616 68 G HA2 0.052 4.013 3.960 0.001 0.000 0.214 68 G HA3 0.052 4.013 3.960 0.001 0.000 0.214 68 G C -0.048 174.877 174.900 0.042 0.000 0.653 68 G CA -0.114 45.022 45.100 0.061 0.000 0.816 68 G HN 0.191 nan 8.290 nan 0.000 0.601 69 F N 1.156 121.041 119.950 -0.107 0.000 2.362 69 F HA 0.848 5.376 4.527 0.000 0.000 0.311 69 F C 0.457 175.995 175.800 -0.437 0.000 1.161 69 F CA -0.670 57.181 58.000 -0.249 0.000 1.085 69 F CB 1.359 40.249 39.000 -0.183 0.000 1.311 69 F HN 0.183 nan 8.300 nan 0.000 0.524 70 G N 0.348 108.726 108.800 -0.704 0.000 2.718 70 G HA2 0.564 4.524 3.960 0.001 0.000 0.295 70 G HA3 0.564 4.524 3.960 0.001 0.000 0.295 70 G C -2.067 172.434 174.900 -0.665 0.000 1.421 70 G CA -1.028 43.555 45.100 -0.862 0.000 0.902 70 G HN 0.699 nan 8.290 nan 0.000 0.501 71 F N -0.069 119.607 119.950 -0.455 0.000 2.483 71 F HA 0.597 5.124 4.527 0.000 0.000 0.329 71 F C 0.428 176.111 175.800 -0.195 0.000 1.064 71 F CA -1.181 56.678 58.000 -0.234 0.000 0.986 71 F CB 2.121 41.041 39.000 -0.135 0.000 1.218 71 F HN -0.052 nan 8.300 nan 0.000 0.484 72 L N 2.351 123.630 121.223 0.094 0.000 2.282 72 L HA 0.487 4.828 4.340 0.001 0.000 0.288 72 L C -0.298 176.581 176.870 0.015 0.000 1.033 72 L CA -0.780 54.064 54.840 0.006 0.000 0.807 72 L CB 1.495 43.544 42.059 -0.016 0.000 1.209 72 L HN 0.542 nan 8.230 nan 0.000 0.423 73 R N 2.376 122.873 120.500 -0.006 0.000 2.459 73 R HA 0.347 4.688 4.340 0.001 0.000 0.281 73 R C -0.413 175.878 176.300 -0.014 0.000 1.050 73 R CA -0.545 55.554 56.100 -0.001 0.000 1.055 73 R CB 0.711 31.011 30.300 -0.000 0.000 1.045 73 R HN 0.352 nan 8.270 nan 0.000 0.495 74 R N 3.243 123.736 120.500 -0.011 0.000 2.265 74 R HA 0.162 4.502 4.340 0.001 0.000 0.314 74 R C 1.025 177.317 176.300 -0.013 0.000 1.053 74 R CA -0.116 55.976 56.100 -0.014 0.000 0.931 74 R CB 0.414 30.706 30.300 -0.014 0.000 1.024 74 R HN 0.717 nan 8.270 nan 0.000 0.457 75 I N 2.253 122.815 120.570 -0.013 0.000 2.179 75 I HA -0.294 3.876 4.170 0.001 0.000 0.242 75 I C 1.962 178.072 176.117 -0.013 0.000 1.088 75 I CA 1.350 62.643 61.300 -0.012 0.000 1.357 75 I CB -0.165 37.829 38.000 -0.009 0.000 1.051 75 I HN 0.555 nan 8.210 nan 0.000 0.409 76 E N 0.328 120.520 120.200 -0.013 0.000 2.501 76 E HA -0.223 4.128 4.350 0.001 0.000 0.203 76 E C 0.443 177.033 176.600 -0.017 0.000 1.072 76 E CA 0.955 57.346 56.400 -0.015 0.000 0.885 76 E CB -0.509 29.183 29.700 -0.014 0.000 0.813 76 E HN 0.554 nan 8.360 nan 0.000 0.556 77 D N 0.727 121.117 120.400 -0.016 0.000 2.395 77 D HA 0.037 4.678 4.640 0.001 0.000 0.213 77 D C -0.259 176.031 176.300 -0.017 0.000 1.110 77 D CA -0.198 53.792 54.000 -0.017 0.000 0.835 77 D CB 0.126 40.918 40.800 -0.014 0.000 0.965 77 D HN -0.026 nan 8.370 nan 0.000 0.505 78 N N 0.416 119.107 118.700 -0.016 0.000 2.747 78 N HA -0.220 4.520 4.740 0.001 0.000 0.249 78 N C 0.599 176.103 175.510 -0.010 0.000 1.107 78 N CA 0.442 53.482 53.050 -0.015 0.000 0.707 78 N CB -1.496 36.977 38.487 -0.022 0.000 1.054 78 N HN 0.340 nan 8.380 nan 0.000 0.555 79 L N -4.720 116.499 121.223 -0.008 0.000 4.884 79 L HA -0.299 4.042 4.340 0.001 0.000 0.430 79 L C 0.043 176.917 176.870 0.007 0.000 1.087 79 L CA 0.583 55.421 54.840 -0.003 0.000 1.033 79 L CB -1.101 40.957 42.059 -0.003 0.000 2.030 79 L HN 0.163 nan 8.230 nan 0.000 0.762 80 L N 0.514 121.740 121.223 0.004 0.000 2.439 80 L HA 0.456 4.796 4.340 0.001 0.000 0.261 80 L C -1.523 175.361 176.870 0.023 0.000 1.153 80 L CA -1.280 53.568 54.840 0.013 0.000 0.808 80 L CB -0.053 42.006 42.059 0.001 0.000 1.126 80 L HN -0.277 nan 8.230 nan 0.000 0.460 81 P HA 0.251 nan 4.420 nan 0.000 0.269 81 P C -0.992 176.316 177.300 0.014 0.000 1.209 81 P CA -0.055 63.079 63.100 0.057 0.000 0.776 81 P CB 0.958 32.715 31.700 0.095 0.000 0.876 82 S N 1.522 117.211 115.700 -0.017 0.000 2.622 82 S HA 0.303 4.773 4.470 0.001 0.000 0.275 82 S C -1.934 172.618 174.600 -0.080 0.000 1.112 82 S CA -0.885 57.292 58.200 -0.038 0.000 0.837 82 S CB 0.361 63.544 63.200 -0.028 0.000 1.082 82 S HN 0.294 nan 8.310 nan 0.000 0.456 83 N N 3.222 121.880 118.700 -0.069 0.000 2.419 83 N HA 0.307 5.048 4.740 0.001 0.000 0.277 83 N C -1.477 174.003 175.510 -0.049 0.000 1.006 83 N CA -0.464 52.541 53.050 -0.076 0.000 0.923 83 N CB 1.113 39.561 38.487 -0.066 0.000 1.140 83 N HN 0.696 nan 8.380 nan 0.000 0.488 84 D N 0.499 120.872 120.400 -0.045 0.000 2.518 84 D HA 0.191 4.831 4.640 0.001 0.000 0.230 84 D C -0.675 175.591 176.300 -0.057 0.000 1.138 84 D CA -0.389 53.581 54.000 -0.051 0.000 0.964 84 D CB 0.062 40.843 40.800 -0.031 0.000 1.011 84 D HN 0.118 nan 8.370 nan 0.000 0.517 85 D N 1.066 121.407 120.400 -0.098 0.000 2.339 85 D HA 0.252 4.892 4.640 0.001 0.000 0.245 85 D C 0.658 176.911 176.300 -0.078 0.000 1.115 85 D CA -0.329 53.612 54.000 -0.097 0.000 0.917 85 D CB 1.162 41.865 40.800 -0.162 0.000 1.192 85 D HN 0.215 nan 8.370 nan 0.000 0.428 86 I N 0.898 121.470 120.570 0.004 0.000 2.970 86 I HA 0.210 4.380 4.170 0.001 0.000 0.310 86 I C -0.232 176.016 176.117 0.218 0.000 1.010 86 I CA -0.508 60.838 61.300 0.077 0.000 1.228 86 I CB 0.419 38.457 38.000 0.064 0.000 1.433 86 I HN 0.254 nan 8.210 nan 0.000 0.573 87 Y N 3.713 124.104 120.300 0.152 0.000 2.509 87 Y HA 0.737 5.288 4.550 0.000 0.000 0.341 87 Y C -1.080 174.928 175.900 0.181 0.000 1.038 87 Y CA -0.945 57.328 58.100 0.288 0.000 1.089 87 Y CB 1.311 39.933 38.460 0.269 0.000 1.241 87 Y HN 0.218 nan 8.280 nan 0.000 0.468 88 I N 3.268 123.516 120.570 -0.537 0.000 2.680 88 I HA 0.153 4.324 4.170 0.001 0.000 0.291 88 I C 0.182 176.140 176.117 -0.266 0.000 1.244 88 I CA -0.705 60.461 61.300 -0.223 0.000 1.042 88 I CB 1.439 39.335 38.000 -0.172 0.000 1.277 88 I HN 0.658 nan 8.210 nan 0.000 0.423 89 S N 5.694 121.436 115.700 0.071 0.000 2.822 89 S HA 0.042 4.512 4.470 0.001 0.000 0.251 89 S C -1.505 173.142 174.600 0.078 0.000 1.441 89 S CA 0.228 58.521 58.200 0.156 0.000 0.983 89 S CB 0.359 63.658 63.200 0.165 0.000 0.910 89 S HN 0.493 nan 8.310 nan 0.000 0.557 90 P HA 0.243 nan 4.420 nan 0.000 0.216 90 P C 0.681 178.018 177.300 0.062 0.000 1.151 90 P CA 0.784 63.938 63.100 0.091 0.000 0.863 90 P CB 0.179 31.943 31.700 0.105 0.000 0.790 91 S N -3.085 112.656 115.700 0.068 0.000 1.830 91 S HA -0.137 4.334 4.470 0.001 0.000 0.248 91 S C 0.285 174.946 174.600 0.102 0.000 1.098 91 S CA 0.908 59.155 58.200 0.078 0.000 1.269 91 S CB -1.298 61.958 63.200 0.093 0.000 1.554 91 S HN 0.451 nan 8.310 nan 0.000 0.560 92 Q N 0.613 120.489 119.800 0.126 0.000 4.095 92 Q HA 0.123 4.464 4.340 0.001 0.000 0.099 92 Q C 0.229 176.330 176.000 0.168 0.000 0.735 92 Q CA 0.433 56.374 55.803 0.230 0.000 0.918 92 Q CB -1.102 27.791 28.738 0.260 0.000 1.488 92 Q HN 0.541 nan 8.270 nan 0.000 0.458 93 I N 0.208 120.833 120.570 0.092 0.000 3.103 93 I HA -0.431 3.739 4.170 0.001 0.000 0.198 93 I C 1.111 177.354 176.117 0.210 0.000 1.371 93 I CA 1.974 63.343 61.300 0.115 0.000 0.864 93 I CB -0.391 37.639 38.000 0.050 0.000 1.682 93 I HN 0.683 nan 8.210 nan 0.000 0.998 94 R N 1.465 122.044 120.500 0.132 0.000 2.543 94 R HA 0.169 4.510 4.340 0.001 0.000 0.323 94 R C 0.115 176.465 176.300 0.084 0.000 1.002 94 R CA 0.377 56.527 56.100 0.084 0.000 1.106 94 R CB 0.321 30.653 30.300 0.054 0.000 1.280 94 R HN 0.638 nan 8.270 nan 0.000 0.549 95 K N 0.061 120.533 120.400 0.120 0.000 2.659 95 K HA -0.043 4.277 4.320 0.001 0.000 0.179 95 K C -0.676 175.915 176.600 -0.014 0.000 1.661 95 K CA -0.162 56.166 56.287 0.069 0.000 0.651 95 K CB -0.901 31.607 32.500 0.013 0.000 1.319 95 K HN -0.071 nan 8.250 nan 0.000 0.380 96 F N 0.329 120.292 119.950 0.022 0.000 2.686 96 F HA -0.413 4.114 4.527 0.001 0.000 0.543 96 F C 0.809 176.625 175.800 0.026 0.000 0.506 96 F CA 2.347 60.362 58.000 0.025 0.000 0.636 96 F CB -2.040 36.971 39.000 0.019 0.000 1.561 96 F HN 0.851 nan 8.300 nan 0.000 0.246 97 N N 0.828 119.647 118.700 0.198 0.000 2.688 97 N HA -0.005 4.736 4.740 0.001 0.000 0.305 97 N C -1.240 174.335 175.510 0.108 0.000 1.206 97 N CA 1.342 54.464 53.050 0.120 0.000 0.738 97 N CB -0.542 38.003 38.487 0.096 0.000 0.999 97 N HN 0.614 nan 8.380 nan 0.000 0.559 98 L N 0.084 121.348 121.223 0.068 0.000 2.545 98 L HA 0.671 5.012 4.340 0.001 0.000 0.258 98 L C -0.472 176.392 176.870 -0.010 0.000 0.942 98 L CA -1.245 53.613 54.840 0.031 0.000 0.855 98 L CB 1.076 43.129 42.059 -0.009 0.000 1.374 98 L HN 0.390 nan 8.230 nan 0.000 0.411 99 N N -0.815 117.872 118.700 -0.021 0.000 3.002 99 N HA 0.518 5.259 4.740 0.001 0.000 0.331 99 N C -0.583 174.880 175.510 -0.079 0.000 1.384 99 N CA -0.539 52.484 53.050 -0.045 0.000 0.780 99 N CB 0.383 38.858 38.487 -0.020 0.000 1.492 99 N HN 0.684 nan 8.380 nan 0.000 0.608 100 T N -0.897 113.608 114.554 -0.082 0.000 2.932 100 T HA 0.411 4.762 4.350 0.001 0.000 0.312 100 T C 1.351 175.989 174.700 -0.103 0.000 1.071 100 T CA 1.038 63.078 62.100 -0.099 0.000 1.128 100 T CB 0.251 69.069 68.868 -0.084 0.000 0.984 100 T HN 0.885 nan 8.240 nan 0.000 0.549 101 G N 2.111 110.840 108.800 -0.118 0.000 2.317 101 G HA2 -0.218 3.742 3.960 0.001 0.000 0.227 101 G HA3 -0.218 3.742 3.960 0.001 0.000 0.227 101 G C -0.042 174.752 174.900 -0.177 0.000 1.042 101 G CA -0.188 44.833 45.100 -0.132 0.000 0.623 101 G HN 0.703 nan 8.290 nan 0.000 0.509 102 D N 0.949 121.233 120.400 -0.194 0.000 2.472 102 D HA 0.342 4.982 4.640 0.001 0.000 0.237 102 D C 0.841 176.972 176.300 -0.280 0.000 1.141 102 D CA 0.502 54.339 54.000 -0.272 0.000 0.875 102 D CB 0.580 41.235 40.800 -0.241 0.000 1.192 102 D HN 0.407 nan 8.370 nan 0.000 0.450 103 I N 3.687 124.030 120.570 -0.379 0.000 2.321 103 I HA 0.188 4.358 4.170 0.001 0.000 0.291 103 I C -0.077 175.837 176.117 -0.340 0.000 0.998 103 I CA -0.731 60.353 61.300 -0.360 0.000 1.227 103 I CB 0.970 38.667 38.000 -0.504 0.000 1.368 103 I HN 0.016 nan 8.210 nan 0.000 0.466 104 I N 5.160 125.591 120.570 -0.232 0.000 2.460 104 I HA 0.509 4.679 4.170 0.001 0.000 0.298 104 I C 0.128 176.168 176.117 -0.127 0.000 0.989 104 I CA -0.529 60.654 61.300 -0.195 0.000 1.173 104 I CB 1.540 39.436 38.000 -0.174 0.000 1.338 104 I HN 0.529 nan 8.210 nan 0.000 0.456 105 S N 2.423 118.064 115.700 -0.098 0.000 2.546 105 S HA 0.993 5.463 4.470 0.001 0.000 0.274 105 S C -0.343 174.243 174.600 -0.024 0.000 1.121 105 S CA -0.697 57.481 58.200 -0.037 0.000 0.887 105 S CB 2.622 65.827 63.200 0.008 0.000 1.094 105 S HN 1.309 nan 8.310 nan 0.000 0.474 106 G N 0.204 109.003 108.800 -0.001 0.000 2.316 106 G HA2 0.430 4.390 3.960 0.001 0.000 0.296 106 G HA3 0.430 4.390 3.960 0.001 0.000 0.296 106 G C -1.344 173.570 174.900 0.024 0.000 1.399 106 G CA -0.486 44.622 45.100 0.014 0.000 0.833 106 G HN 1.095 nan 8.290 nan 0.000 0.565 107 V N 0.311 120.245 119.914 0.033 0.000 2.740 107 V HA 0.390 4.510 4.120 0.001 0.000 0.303 107 V C 0.542 176.658 176.094 0.037 0.000 1.054 107 V CA 0.282 62.602 62.300 0.033 0.000 1.106 107 V CB 0.735 32.579 31.823 0.036 0.000 0.957 107 V HN 0.587 nan 8.190 nan 0.000 0.486 120 M N 4.392 124.066 119.600 0.123 0.000 1.980 120 M HA 0.477 4.958 4.480 0.001 0.000 0.282 120 M C 0.202 176.561 176.300 0.100 0.000 0.878 120 M CA -0.504 54.854 55.300 0.096 0.000 0.900 120 M CB -0.163 32.490 32.600 0.089 0.000 1.577 120 M HN 0.570 nan 8.290 nan 0.000 0.396 121 I N 0.893 121.511 120.570 0.079 0.000 2.236 121 I HA -0.232 3.939 4.170 0.001 0.000 0.249 121 I C 1.090 177.266 176.117 0.098 0.000 1.102 121 I CA 1.189 62.536 61.300 0.078 0.000 1.365 121 I CB -0.388 37.647 38.000 0.058 0.000 1.051 121 I HN 0.614 nan 8.210 nan 0.000 0.420 122 K N 0.092 120.553 120.400 0.101 0.000 2.703 122 K HA 0.399 4.720 4.320 0.001 0.000 0.285 122 K C -1.900 174.763 176.600 0.105 0.000 1.014 122 K CA -0.601 55.771 56.287 0.142 0.000 0.858 122 K CB 1.609 34.195 32.500 0.143 0.000 1.467 122 K HN -0.067 nan 8.250 nan 0.000 0.383 123 I N 2.684 123.328 120.570 0.123 0.000 2.336 123 I HA 0.230 4.400 4.170 0.001 0.000 0.292 123 I C 1.136 177.264 176.117 0.018 0.000 0.991 123 I CA -0.111 61.171 61.300 -0.030 0.000 1.227 123 I CB 1.491 39.280 38.000 -0.352 0.000 1.366 123 I HN 0.592 nan 8.210 nan 0.000 0.466 124 E N 4.565 124.768 120.200 0.005 0.000 2.364 124 E HA 0.339 4.690 4.350 0.001 0.000 0.196 124 E C 0.129 176.746 176.600 0.028 0.000 0.990 124 E CA -0.011 56.411 56.400 0.037 0.000 0.886 124 E CB 0.729 30.455 29.700 0.043 0.000 0.866 124 E HN 0.700 nan 8.360 nan 0.000 0.493 125 A N 1.546 124.356 122.820 -0.016 0.000 2.532 125 A HA 0.454 4.774 4.320 0.001 0.000 0.296 125 A C -1.138 176.386 177.584 -0.101 0.000 1.058 125 A CA -0.813 51.219 52.037 -0.008 0.000 0.729 125 A CB 0.618 19.653 19.000 0.058 0.000 1.285 125 A HN 0.249 nan 8.150 nan 0.000 0.396 126 I N 0.121 120.630 120.570 -0.102 0.000 2.337 126 I HA 0.577 4.747 4.170 0.001 0.000 0.285 126 I C -0.004 175.910 176.117 -0.339 0.000 1.041 126 I CA -0.475 60.693 61.300 -0.221 0.000 1.199 126 I CB 0.693 38.594 38.000 -0.165 0.000 1.370 126 I HN 0.529 nan 8.210 nan 0.000 0.470 127 N N 5.030 123.392 118.700 -0.562 0.000 2.862 127 N HA -0.262 4.478 4.740 0.001 0.000 0.248 127 N C -0.610 174.613 175.510 -0.479 0.000 1.116 127 N CA 1.342 53.905 53.050 -0.812 0.000 0.727 127 N CB -1.790 36.124 38.487 -0.955 0.000 1.083 127 N HN 1.030 nan 8.380 nan 0.000 0.555 128 Y N -2.418 117.887 120.300 0.010 0.000 4.234 128 Y HA -0.315 4.235 4.550 0.000 0.000 0.239 128 Y C 0.282 176.276 175.900 0.157 0.000 1.197 128 Y CA 0.615 58.767 58.100 0.086 0.000 2.027 128 Y CB -1.680 36.850 38.460 0.117 0.000 1.619 128 Y HN 0.284 nan 8.280 nan 0.000 0.704 129 R N -1.128 119.510 120.500 0.231 0.000 2.572 129 R HA 0.396 4.737 4.340 0.001 0.000 0.273 129 R C -3.191 173.211 176.300 0.169 0.000 1.168 129 R CA -1.820 54.413 56.100 0.221 0.000 1.021 129 R CB 1.917 32.391 30.300 0.289 0.000 1.249 129 R HN -0.197 nan 8.270 nan 0.000 0.423 138 V N 2.592 122.483 119.914 -0.038 0.000 3.051 138 V HA 0.267 4.387 4.120 0.001 0.000 0.306 138 V C 0.743 176.852 176.094 0.026 0.000 1.083 138 V CA -0.484 61.807 62.300 -0.015 0.000 1.104 138 V CB 0.963 32.765 31.823 -0.036 0.000 1.027 138 V HN 0.568 nan 8.190 nan 0.000 0.483 139 N N 0.570 119.290 118.700 0.033 0.000 2.498 139 N HA 0.213 4.953 4.740 0.001 0.000 0.287 139 N C 0.486 176.051 175.510 0.093 0.000 1.097 139 N CA -0.471 52.627 53.050 0.079 0.000 0.973 139 N CB 0.825 39.349 38.487 0.063 0.000 1.153 139 N HN 0.602 nan 8.380 nan 0.000 0.472 140 F N 2.381 122.337 119.950 0.010 0.000 2.063 140 F HA -0.280 4.248 4.527 0.001 0.000 0.298 140 F C 1.431 177.222 175.800 -0.015 0.000 1.109 140 F CA 1.893 59.892 58.000 -0.001 0.000 1.212 140 F CB 0.154 39.150 39.000 -0.007 0.000 0.973 140 F HN 0.525 nan 8.300 nan 0.000 0.480 141 D N -0.258 120.242 120.400 0.167 0.000 2.351 141 D HA -0.132 4.508 4.640 0.001 0.000 0.216 141 D C 1.691 177.963 176.300 -0.046 0.000 0.968 141 D CA 0.741 54.780 54.000 0.066 0.000 0.899 141 D CB -0.381 40.475 40.800 0.094 0.000 0.907 141 D HN 0.362 nan 8.370 nan 0.000 0.514 142 N N -0.198 118.467 118.700 -0.058 0.000 2.387 142 N HA 0.055 4.796 4.740 0.001 0.000 0.176 142 N C 0.655 176.095 175.510 -0.116 0.000 1.022 142 N CA -0.057 52.953 53.050 -0.068 0.000 0.883 142 N CB 0.244 38.710 38.487 -0.035 0.000 1.019 142 N HN 0.192 nan 8.380 nan 0.000 0.435 143 L N 1.828 122.950 121.223 -0.169 0.000 2.640 143 L HA -0.099 4.242 4.340 0.001 0.000 0.300 143 L C 0.110 176.863 176.870 -0.195 0.000 1.259 143 L CA 0.473 55.194 54.840 -0.198 0.000 0.879 143 L CB -0.066 41.815 42.059 -0.298 0.000 1.125 143 L HN 0.075 nan 8.230 nan 0.000 0.507 144 T N 3.901 118.361 114.554 -0.157 0.000 2.727 144 T HA 0.251 4.601 4.350 0.001 0.000 0.295 144 T C -2.273 172.324 174.700 -0.173 0.000 0.915 144 T CA -1.179 60.833 62.100 -0.148 0.000 1.066 144 T CB 0.561 69.358 68.868 -0.118 0.000 0.891 144 T HN 0.320 nan 8.240 nan 0.000 0.516 145 P HA 0.378 nan 4.420 nan 0.000 0.271 145 P C -0.487 176.678 177.300 -0.224 0.000 1.216 145 P CA -0.163 62.818 63.100 -0.197 0.000 0.771 145 P CB 0.620 32.209 31.700 -0.184 0.000 0.864 146 D N 1.199 121.466 120.400 -0.222 0.000 2.570 146 D HA 0.278 4.918 4.640 0.001 0.000 0.244 146 D C -0.833 175.337 176.300 -0.217 0.000 1.178 146 D CA -0.682 53.143 54.000 -0.292 0.000 0.881 146 D CB 0.789 41.483 40.800 -0.176 0.000 1.453 146 D HN 0.086 nan 8.370 nan 0.000 0.447 147 Y N 0.490 120.763 120.300 -0.045 0.000 2.652 147 Y HA 0.218 4.768 4.550 0.000 0.000 0.344 147 Y C -1.502 174.372 175.900 -0.044 0.000 1.254 147 Y CA -1.273 56.803 58.100 -0.040 0.000 1.480 147 Y CB -0.545 37.894 38.460 -0.034 0.000 1.345 147 Y HN 0.108 nan 8.280 nan 0.000 0.617 148 P HA 0.193 nan 4.420 nan 0.000 0.271 148 P C -0.037 177.277 177.300 0.024 0.000 1.216 148 P CA 0.041 63.163 63.100 0.037 0.000 0.771 148 P CB 0.742 32.455 31.700 0.022 0.000 0.864 149 R N 0.945 121.435 120.500 -0.016 0.000 2.517 149 R HA 0.177 4.517 4.340 0.001 0.000 0.265 149 R C 0.051 176.321 176.300 -0.050 0.000 0.921 149 R CA 0.040 56.128 56.100 -0.019 0.000 1.054 149 R CB 0.915 31.211 30.300 -0.006 0.000 1.340 149 R HN 0.549 nan 8.270 nan 0.000 0.551 150 E N 2.046 122.190 120.200 -0.092 0.000 2.176 150 E HA 0.172 4.522 4.350 0.001 0.000 0.267 150 E C -0.821 175.664 176.600 -0.191 0.000 0.893 150 E CA -0.642 55.685 56.400 -0.122 0.000 0.761 150 E CB 1.933 31.546 29.700 -0.146 0.000 1.133 150 E HN 0.114 nan 8.360 nan 0.000 0.409 151 R N 2.025 122.454 120.500 -0.119 0.000 2.582 151 R HA 0.263 4.603 4.340 0.001 0.000 0.271 151 R C -0.850 175.340 176.300 -0.184 0.000 1.078 151 R CA -0.302 55.741 56.100 -0.095 0.000 1.127 151 R CB 0.454 30.758 30.300 0.007 0.000 1.038 151 R HN 0.208 nan 8.270 nan 0.000 0.500 152 F N 2.401 122.309 119.950 -0.070 0.000 2.438 152 F HA 0.321 4.848 4.527 0.001 0.000 0.356 152 F C 0.458 176.319 175.800 0.101 0.000 1.099 152 F CA -0.739 57.173 58.000 -0.145 0.000 1.185 152 F CB 0.932 39.851 39.000 -0.134 0.000 1.115 152 F HN 0.340 nan 8.300 nan 0.000 0.526 153 I N 6.122 127.050 120.570 0.597 0.000 2.291 153 I HA 0.089 4.259 4.170 0.001 0.000 0.292 153 I C 0.777 177.073 176.117 0.298 0.000 1.064 153 I CA 0.041 61.556 61.300 0.359 0.000 1.269 153 I CB 0.785 38.925 38.000 0.234 0.000 1.418 153 I HN 0.661 nan 8.210 nan 0.000 0.485 154 L N 4.557 125.896 121.223 0.194 0.000 2.307 154 L HA 0.097 4.437 4.340 0.001 0.000 0.211 154 L C 1.307 178.233 176.870 0.093 0.000 1.099 154 L CA 0.280 55.197 54.840 0.128 0.000 0.816 154 L CB -0.201 41.912 42.059 0.090 0.000 0.952 154 L HN 0.613 nan 8.230 nan 0.000 0.455 155 E N 1.301 121.557 120.200 0.092 0.000 2.415 155 E HA -0.015 4.335 4.350 0.001 0.000 0.263 155 E C 0.385 177.019 176.600 0.057 0.000 0.995 155 E CA 0.594 57.037 56.400 0.071 0.000 0.915 155 E CB 0.808 30.551 29.700 0.072 0.000 0.951 155 E HN 0.261 nan 8.360 nan 0.000 0.449 156 T N 1.064 115.644 114.554 0.043 0.000 3.216 156 T HA 0.074 4.424 4.350 0.001 0.000 0.167 156 T C 0.309 175.024 174.700 0.026 0.000 0.905 156 T CA -0.280 61.837 62.100 0.029 0.000 1.042 156 T CB -0.311 68.568 68.868 0.019 0.000 1.787 156 T HN 0.475 nan 8.240 nan 0.000 0.355 157 D N 3.125 123.533 120.400 0.013 0.000 2.304 157 D HA 0.266 4.907 4.640 0.001 0.000 0.250 157 D C -1.745 174.566 176.300 0.020 0.000 1.107 157 D CA -1.959 52.046 54.000 0.008 0.000 0.885 157 D CB 1.796 42.587 40.800 -0.015 0.000 1.192 157 D HN -0.011 nan 8.370 nan 0.000 0.436 158 P HA -0.094 nan 4.420 nan 0.000 0.221 158 P C 0.778 178.155 177.300 0.129 0.000 1.145 158 P CA 0.899 64.055 63.100 0.094 0.000 0.795 158 P CB 0.328 32.085 31.700 0.094 0.000 0.775 159 K N -0.780 119.604 120.400 -0.026 0.000 2.400 159 K HA 0.141 4.461 4.320 0.001 0.000 0.194 159 K C 0.870 177.106 176.600 -0.607 0.000 1.033 159 K CA 0.082 56.182 56.287 -0.312 0.000 1.021 159 K CB -0.190 32.166 32.500 -0.239 0.000 0.808 159 K HN 0.299 nan 8.250 nan 0.000 0.505 160 I N 2.566 122.994 120.570 -0.236 0.000 2.293 160 I HA -0.027 4.143 4.170 0.001 0.000 0.299 160 I C 0.641 176.750 176.117 -0.014 0.000 1.153 160 I CA -0.262 60.935 61.300 -0.172 0.000 1.302 160 I CB -0.078 37.882 38.000 -0.067 0.000 1.460 160 I HN -0.054 nan 8.210 nan 0.000 0.552 161 Y N 2.845 123.145 120.300 -0.001 0.000 2.263 161 Y HA -0.222 4.329 4.550 0.000 0.000 0.292 161 Y C 2.768 178.667 175.900 -0.002 0.000 1.130 161 Y CA 0.874 58.967 58.100 -0.012 0.000 1.179 161 Y CB -0.991 37.462 38.460 -0.012 0.000 0.998 161 Y HN 0.656 nan 8.280 nan 0.000 0.532 162 S N -0.298 115.497 115.700 0.158 0.000 2.365 162 S HA -0.247 4.224 4.470 0.001 0.000 0.225 162 S C 2.000 176.655 174.600 0.091 0.000 1.039 162 S CA 2.170 60.433 58.200 0.104 0.000 1.033 162 S CB -1.302 61.940 63.200 0.071 0.000 0.887 162 S HN 0.589 nan 8.310 nan 0.000 0.447 163 T N -0.311 114.291 114.554 0.080 0.000 2.978 163 T HA 0.164 4.515 4.350 0.001 0.000 0.262 163 T C 1.910 176.663 174.700 0.089 0.000 1.063 163 T CA 0.470 62.615 62.100 0.075 0.000 1.140 163 T CB -0.388 68.515 68.868 0.057 0.000 0.886 163 T HN 0.423 nan 8.240 nan 0.000 0.470 164 R N 0.699 121.255 120.500 0.093 0.000 2.096 164 R HA 0.140 4.480 4.340 0.001 0.000 0.235 164 R C 2.365 178.715 176.300 0.084 0.000 1.127 164 R CA 1.157 57.302 56.100 0.074 0.000 0.968 164 R CB -0.567 29.769 30.300 0.059 0.000 0.861 164 R HN 0.390 nan 8.270 nan 0.000 0.440 165 L N 0.048 121.338 121.223 0.112 0.000 2.179 165 L HA -0.066 4.274 4.340 0.001 0.000 0.208 165 L C 2.240 179.259 176.870 0.249 0.000 1.096 165 L CA 0.793 55.752 54.840 0.197 0.000 0.779 165 L CB -0.193 41.932 42.059 0.109 0.000 0.922 165 L HN 0.151 nan 8.230 nan 0.000 0.443 166 I N -0.043 120.622 120.570 0.159 0.000 2.202 166 I HA -0.284 3.887 4.170 0.001 0.000 0.242 166 I C 1.915 178.115 176.117 0.137 0.000 1.091 166 I CA 1.204 62.593 61.300 0.149 0.000 1.368 166 I CB -0.368 37.697 38.000 0.109 0.000 1.058 166 I HN 0.213 nan 8.210 nan 0.000 0.410 167 D N 0.734 121.203 120.400 0.114 0.000 2.271 167 D HA -0.143 4.498 4.640 0.001 0.000 0.207 167 D C 2.120 178.451 176.300 0.052 0.000 0.983 167 D CA 1.247 55.301 54.000 0.089 0.000 0.878 167 D CB -0.022 40.830 40.800 0.086 0.000 0.920 167 D HN 0.330 nan 8.370 nan 0.000 0.479 168 L N -1.802 119.453 121.223 0.053 0.000 2.262 168 L HA 0.103 4.443 4.340 0.001 0.000 0.197 168 L C 1.541 178.286 176.870 -0.207 0.000 1.073 168 L CA 0.319 55.095 54.840 -0.106 0.000 0.800 168 L CB -0.095 41.859 42.059 -0.174 0.000 0.987 168 L HN -0.102 nan 8.230 nan 0.000 0.470 169 F N -0.120 119.862 119.950 0.053 0.000 2.776 169 F HA 0.316 4.844 4.527 0.001 0.000 0.300 169 F C 0.925 176.756 175.800 0.052 0.000 1.116 169 F CA 0.253 58.287 58.000 0.056 0.000 1.375 169 F CB 0.305 39.340 39.000 0.058 0.000 1.109 169 F HN -0.013 nan 8.300 nan 0.000 0.585 170 A N 0.401 123.337 122.820 0.193 0.000 3.426 170 A HA 0.321 4.642 4.320 0.001 0.000 0.222 170 A C -2.747 174.903 177.584 0.111 0.000 1.090 170 A CA -0.853 51.270 52.037 0.142 0.000 1.026 170 A CB -0.592 18.499 19.000 0.152 0.000 1.342 170 A HN -0.164 nan 8.150 nan 0.000 0.695 171 P HA 0.309 nan 4.420 nan 0.000 0.269 171 P C -0.322 177.037 177.300 0.099 0.000 1.215 171 P CA 0.463 63.613 63.100 0.083 0.000 0.780 171 P CB 0.880 32.608 31.700 0.047 0.000 0.898 172 I N 1.087 121.739 120.570 0.137 0.000 2.433 172 I HA 0.506 4.676 4.170 0.001 0.000 0.292 172 I C 0.906 177.160 176.117 0.229 0.000 1.001 172 I CA -0.479 60.932 61.300 0.186 0.000 1.119 172 I CB 2.036 40.159 38.000 0.206 0.000 1.289 172 I HN 0.364 nan 8.210 nan 0.000 0.438 173 G N 4.384 113.276 108.800 0.153 0.000 2.568 173 G HA2 0.458 4.418 3.960 0.001 0.000 0.313 173 G HA3 0.458 4.418 3.960 0.001 0.000 0.313 173 G C -0.878 173.982 174.900 -0.067 0.000 1.227 173 G CA -0.815 44.271 45.100 -0.024 0.000 0.979 173 G HN 0.505 nan 8.290 nan 0.000 0.486 174 K N 0.274 120.436 120.400 -0.397 0.000 2.395 174 K HA 0.381 4.701 4.320 0.001 0.000 0.283 174 K C 0.973 177.553 176.600 -0.034 0.000 1.068 174 K CA 1.099 57.231 56.287 -0.258 0.000 1.039 174 K CB 0.644 32.906 32.500 -0.398 0.000 0.924 174 K HN 1.070 nan 8.250 nan 0.000 0.468 175 G N 2.089 110.935 108.800 0.077 0.000 2.192 175 G HA2 -0.225 3.735 3.960 0.001 0.000 0.193 175 G HA3 -0.225 3.735 3.960 0.001 0.000 0.193 175 G C -0.008 174.934 174.900 0.070 0.000 0.999 175 G CA -0.583 44.555 45.100 0.063 0.000 0.659 175 G HN 0.515 nan 8.290 nan 0.000 0.503 176 Q N 0.530 120.397 119.800 0.111 0.000 2.361 176 Q HA 0.519 4.859 4.340 0.001 0.000 0.276 176 Q C 0.669 176.711 176.000 0.070 0.000 1.022 176 Q CA 0.222 56.086 55.803 0.101 0.000 0.898 176 Q CB 0.309 29.138 28.738 0.152 0.000 1.246 176 Q HN 0.381 nan 8.270 nan 0.000 0.410 177 R N 2.510 123.015 120.500 0.008 0.000 2.575 177 R HA 0.485 4.826 4.340 0.001 0.000 0.281 177 R C -0.761 175.597 176.300 0.097 0.000 1.272 177 R CA -0.174 55.853 56.100 -0.122 0.000 1.417 177 R CB 0.021 30.072 30.300 -0.414 0.000 1.121 177 R HN 0.746 nan 8.270 nan 0.000 0.583 178 G N 2.643 111.623 108.800 0.299 0.000 2.367 178 G HA2 0.393 4.354 3.960 0.001 0.000 0.314 178 G HA3 0.393 4.354 3.960 0.001 0.000 0.314 178 G C -0.858 174.293 174.900 0.417 0.000 1.130 178 G CA -0.633 44.656 45.100 0.314 0.000 0.864 178 G HN 0.473 nan 8.290 nan 0.000 0.486 179 M N 2.675 122.453 119.600 0.297 0.000 2.311 179 M HA 0.528 5.008 4.480 0.001 0.000 0.325 179 M C -0.998 175.363 176.300 0.102 0.000 1.061 179 M CA -0.760 54.626 55.300 0.143 0.000 0.957 179 M CB 1.433 34.114 32.600 0.134 0.000 1.646 179 M HN 0.297 nan 8.290 nan 0.000 0.434 180 I N 5.503 126.102 120.570 0.048 0.000 2.307 180 I HA 0.259 4.430 4.170 0.001 0.000 0.289 180 I C -0.627 175.511 176.117 0.034 0.000 1.021 180 I CA -0.838 60.489 61.300 0.044 0.000 1.224 180 I CB 1.287 39.302 38.000 0.025 0.000 1.376 180 I HN 0.381 nan 8.210 nan 0.000 0.470 181 V N 6.321 126.269 119.914 0.057 0.000 2.432 181 V HA 0.504 4.624 4.120 0.001 0.000 0.271 181 V C 0.488 176.568 176.094 -0.023 0.000 1.046 181 V CA -0.287 62.035 62.300 0.038 0.000 0.945 181 V CB 1.113 32.983 31.823 0.077 0.000 0.992 181 V HN 0.837 nan 8.190 nan 0.000 0.471 182 A N 7.803 130.586 122.820 -0.063 0.000 2.411 182 A HA 0.842 5.163 4.320 0.001 0.000 0.285 182 A C -2.893 174.643 177.584 -0.081 0.000 1.129 182 A CA -1.586 50.419 52.037 -0.054 0.000 0.736 182 A CB 1.494 20.474 19.000 -0.033 0.000 1.186 182 A HN 0.615 nan 8.150 nan 0.000 0.445 183 P HA 0.426 nan 4.420 nan 0.000 0.276 183 P C -2.692 174.584 177.300 -0.041 0.000 1.261 183 P CA -1.428 61.628 63.100 -0.073 0.000 0.800 183 P CB -0.211 31.449 31.700 -0.067 0.000 1.066 184 P HA -0.012 nan 4.420 nan 0.000 0.265 184 P C -0.403 176.899 177.300 0.003 0.000 1.193 184 P CA 0.399 63.485 63.100 -0.022 0.000 0.765 184 P CB -0.143 31.541 31.700 -0.026 0.000 0.823 185 K N 0.898 121.304 120.400 0.011 0.000 3.257 185 K HA -0.173 4.147 4.320 0.001 0.000 0.270 185 K C 0.212 176.874 176.600 0.102 0.000 0.984 185 K CA 0.758 57.068 56.287 0.039 0.000 0.739 185 K CB -2.324 30.199 32.500 0.038 0.000 1.351 185 K HN 0.586 nan 8.250 nan 0.000 0.463 186 A N -0.036 122.846 122.820 0.104 0.000 2.609 186 A HA 0.542 4.862 4.320 0.001 0.000 0.286 186 A C 1.217 178.936 177.584 0.224 0.000 1.138 186 A CA 0.666 52.821 52.037 0.196 0.000 0.960 186 A CB 0.582 19.635 19.000 0.089 0.000 1.208 186 A HN 1.031 nan 8.150 nan 0.000 0.541 187 G N 0.818 109.681 108.800 0.105 0.000 2.132 187 G HA2 -0.308 3.653 3.960 0.001 0.000 0.234 187 G HA3 -0.308 3.653 3.960 0.001 0.000 0.234 187 G C 1.021 175.933 174.900 0.020 0.000 0.989 187 G CA 0.780 45.894 45.100 0.024 0.000 0.676 187 G HN 0.680 nan 8.290 nan 0.000 0.522 188 K N -0.165 120.247 120.400 0.019 0.000 2.074 188 K HA -0.154 4.166 4.320 0.001 0.000 0.209 188 K C 2.216 178.810 176.600 -0.010 0.000 1.048 188 K CA 2.205 58.495 56.287 0.005 0.000 0.926 188 K CB -0.420 32.077 32.500 -0.006 0.000 0.713 188 K HN 0.335 nan 8.250 nan 0.000 0.444 189 T N 0.346 114.887 114.554 -0.022 0.000 2.857 189 T HA -0.056 4.294 4.350 0.001 0.000 0.266 189 T C 1.748 176.428 174.700 -0.033 0.000 1.048 189 T CA 1.616 63.699 62.100 -0.028 0.000 1.139 189 T CB -0.236 68.612 68.868 -0.032 0.000 0.874 189 T HN 0.377 nan 8.240 nan 0.000 0.455 190 T N 2.155 116.683 114.554 -0.043 0.000 2.746 190 T HA 0.024 4.374 4.350 0.001 0.000 0.267 190 T C 1.941 176.624 174.700 -0.029 0.000 1.039 190 T CA 0.885 62.955 62.100 -0.049 0.000 1.142 190 T CB -0.372 68.450 68.868 -0.078 0.000 0.866 190 T HN 0.297 nan 8.240 nan 0.000 0.444 191 I N 0.634 121.197 120.570 -0.011 0.000 2.179 191 I HA -0.151 4.019 4.170 0.001 0.000 0.242 191 I C 2.311 178.425 176.117 -0.004 0.000 1.088 191 I CA 1.120 62.422 61.300 0.004 0.000 1.357 191 I CB -0.365 37.649 38.000 0.023 0.000 1.051 191 I HN 0.202 nan 8.210 nan 0.000 0.409 192 L N 0.442 121.659 121.223 -0.009 0.000 1.990 192 L HA -0.296 4.045 4.340 0.001 0.000 0.213 192 L C 2.600 179.457 176.870 -0.022 0.000 1.072 192 L CA 1.818 56.649 54.840 -0.015 0.000 0.755 192 L CB -0.615 41.434 42.059 -0.017 0.000 0.889 192 L HN 0.220 nan 8.230 nan 0.000 0.432 193 K N -0.115 120.270 120.400 -0.025 0.000 2.063 193 K HA -0.211 4.109 4.320 0.001 0.000 0.208 193 K C 1.952 178.535 176.600 -0.027 0.000 1.048 193 K CA 1.613 57.883 56.287 -0.028 0.000 0.928 193 K CB -0.158 32.323 32.500 -0.032 0.000 0.713 193 K HN 0.363 nan 8.250 nan 0.000 0.442 194 E N 0.658 120.844 120.200 -0.024 0.000 2.106 194 E HA -0.148 4.202 4.350 0.001 0.000 0.192 194 E C 2.026 178.616 176.600 -0.016 0.000 0.984 194 E CA 0.937 57.326 56.400 -0.018 0.000 0.806 194 E CB -0.087 29.605 29.700 -0.014 0.000 0.750 194 E HN 0.256 nan 8.360 nan 0.000 0.458 195 I N 1.044 121.602 120.570 -0.021 0.000 2.179 195 I HA -0.284 3.887 4.170 0.001 0.000 0.242 195 I C 2.499 178.576 176.117 -0.068 0.000 1.088 195 I CA 0.986 62.262 61.300 -0.040 0.000 1.357 195 I CB -0.239 37.735 38.000 -0.043 0.000 1.051 195 I HN 0.099 nan 8.210 nan 0.000 0.409 196 A N 0.788 123.574 122.820 -0.057 0.000 1.908 196 A HA -0.228 4.092 4.320 0.001 0.000 0.218 196 A C 2.009 179.569 177.584 -0.041 0.000 1.181 196 A CA 2.059 54.060 52.037 -0.059 0.000 0.627 196 A CB -0.640 18.335 19.000 -0.041 0.000 0.818 196 A HN 0.427 nan 8.150 nan 0.000 0.445 197 N N -0.042 118.642 118.700 -0.026 0.000 2.300 197 N HA -0.048 4.692 4.740 0.001 0.000 0.179 197 N C 1.805 177.316 175.510 0.002 0.000 1.016 197 N CA 1.194 54.237 53.050 -0.013 0.000 0.876 197 N CB -0.696 37.783 38.487 -0.014 0.000 0.979 197 N HN 0.466 nan 8.380 nan 0.000 0.432 198 G N 1.258 110.060 108.800 0.003 0.000 2.421 198 G HA2 -0.161 3.799 3.960 0.001 0.000 0.216 198 G HA3 -0.161 3.799 3.960 0.001 0.000 0.216 198 G C 1.598 176.543 174.900 0.074 0.000 1.171 198 G CA 0.377 45.498 45.100 0.035 0.000 0.775 198 G HN 0.262 nan 8.290 nan 0.000 0.543 199 I N 1.398 121.983 120.570 0.025 0.000 2.315 199 I HA -0.104 4.067 4.170 0.001 0.000 0.248 199 I C 3.240 179.429 176.117 0.120 0.000 1.117 199 I CA 0.771 62.114 61.300 0.071 0.000 1.404 199 I CB -0.127 37.759 38.000 -0.188 0.000 1.071 199 I HN 0.232 nan 8.210 nan 0.000 0.419 200 A N 0.194 123.044 122.820 0.050 0.000 1.908 200 A HA -0.219 4.101 4.320 0.001 0.000 0.218 200 A C 2.330 179.946 177.584 0.052 0.000 1.181 200 A CA 1.646 53.711 52.037 0.048 0.000 0.627 200 A CB -0.417 18.593 19.000 0.017 0.000 0.818 200 A HN 0.381 nan 8.150 nan 0.000 0.445 201 E N -0.299 119.928 120.200 0.044 0.000 2.033 201 E HA -0.104 4.246 4.350 0.001 0.000 0.189 201 E C 1.444 178.046 176.600 0.003 0.000 0.979 201 E CA 0.981 57.395 56.400 0.023 0.000 0.802 201 E CB -0.208 29.503 29.700 0.018 0.000 0.763 201 E HN 0.575 nan 8.360 nan 0.000 0.449 202 N N 0.261 118.965 118.700 0.005 0.000 2.446 202 N HA -0.056 4.684 4.740 0.001 0.000 0.179 202 N C -0.056 175.221 175.510 -0.388 0.000 1.054 202 N CA 0.722 53.675 53.050 -0.161 0.000 0.905 202 N CB 0.113 38.523 38.487 -0.128 0.000 0.973 202 N HN 0.208 nan 8.380 nan 0.000 0.448 203 H N -1.355 117.780 119.070 0.108 0.000 2.514 203 H HA 0.252 4.809 4.556 0.001 0.000 0.226 203 H C -1.899 173.496 175.328 0.110 0.000 1.421 203 H CA -1.118 55.011 56.048 0.135 0.000 1.394 203 H CB 1.373 31.288 29.762 0.255 0.000 1.701 203 H HN -0.004 nan 8.280 nan 0.000 0.515 204 P HA -0.134 nan 4.420 nan 0.000 0.220 204 P C 0.783 178.146 177.300 0.106 0.000 1.148 204 P CA 1.108 64.263 63.100 0.092 0.000 0.803 204 P CB 0.478 32.207 31.700 0.049 0.000 0.782 205 D N -1.813 118.670 120.400 0.137 0.000 2.347 205 D HA -0.004 4.637 4.640 0.001 0.000 0.213 205 D C 0.451 176.868 176.300 0.196 0.000 0.985 205 D CA 0.718 54.807 54.000 0.147 0.000 0.879 205 D CB -0.619 40.261 40.800 0.134 0.000 0.919 205 D HN 0.127 nan 8.370 nan 0.000 0.526 206 T N 1.817 116.501 114.554 0.218 0.000 2.919 206 T HA 0.120 4.470 4.350 0.001 0.000 0.302 206 T C 0.656 175.447 174.700 0.153 0.000 1.031 206 T CA -0.259 61.979 62.100 0.229 0.000 1.127 206 T CB 1.095 70.141 68.868 0.298 0.000 0.952 206 T HN -0.100 nan 8.240 nan 0.000 0.540 207 I N 3.935 124.587 120.570 0.137 0.000 2.325 207 I HA 0.283 4.454 4.170 0.001 0.000 0.291 207 I C 0.719 176.865 176.117 0.048 0.000 1.019 207 I CA -0.207 61.128 61.300 0.059 0.000 1.302 207 I CB 0.737 38.744 38.000 0.011 0.000 1.401 207 I HN 0.485 nan 8.210 nan 0.000 0.485 208 R N 6.892 127.405 120.500 0.022 0.000 2.295 208 R HA 0.719 5.059 4.340 0.001 0.000 0.324 208 R C -0.757 175.545 176.300 0.004 0.000 0.968 208 R CA -0.531 55.572 56.100 0.005 0.000 0.837 208 R CB 1.836 32.130 30.300 -0.010 0.000 1.133 208 R HN 0.498 nan 8.270 nan 0.000 0.450 209 I N 4.308 124.884 120.570 0.011 0.000 2.498 209 I HA 0.427 4.598 4.170 0.001 0.000 0.290 209 I C -0.403 175.727 176.117 0.021 0.000 1.032 209 I CA -0.741 60.569 61.300 0.017 0.000 1.073 209 I CB 2.143 40.161 38.000 0.030 0.000 1.251 209 I HN 0.440 nan 8.210 nan 0.000 0.426 210 I N 6.697 127.276 120.570 0.014 0.000 2.410 210 I HA 0.333 4.504 4.170 0.001 0.000 0.286 210 I C -1.073 175.052 176.117 0.013 0.000 1.009 210 I CA -0.693 60.614 61.300 0.011 0.000 1.111 210 I CB 1.990 39.988 38.000 -0.004 0.000 1.262 210 I HN 0.298 nan 8.210 nan 0.000 0.443 211 L N 8.464 129.700 121.223 0.021 0.000 2.305 211 L HA 0.571 4.911 4.340 0.001 0.000 0.284 211 L C -1.096 175.761 176.870 -0.022 0.000 1.013 211 L CA -0.165 54.682 54.840 0.010 0.000 0.819 211 L CB 1.136 43.221 42.059 0.043 0.000 1.227 211 L HN 0.426 nan 8.230 nan 0.000 0.417 212 L N 6.484 127.690 121.223 -0.028 0.000 2.298 212 L HA 0.553 4.893 4.340 0.001 0.000 0.284 212 L C -0.725 176.120 176.870 -0.042 0.000 1.013 212 L CA -0.604 54.215 54.840 -0.035 0.000 0.824 212 L CB 1.449 43.493 42.059 -0.025 0.000 1.221 212 L HN 0.414 nan 8.230 nan 0.000 0.418 213 I N 2.676 123.215 120.570 -0.052 0.000 2.404 213 I HA 0.282 4.452 4.170 0.001 0.000 0.293 213 I C 0.225 176.331 176.117 -0.018 0.000 0.992 213 I CA -0.078 61.191 61.300 -0.052 0.000 1.149 213 I CB 1.422 39.372 38.000 -0.084 0.000 1.315 213 I HN 0.658 nan 8.210 nan 0.000 0.446 214 D N 2.796 123.202 120.400 0.010 0.000 3.041 214 D HA -0.196 4.445 4.640 0.001 0.000 0.220 214 D C 0.408 176.786 176.300 0.130 0.000 1.157 214 D CA 1.046 55.096 54.000 0.084 0.000 0.876 214 D CB -0.598 40.239 40.800 0.061 0.000 1.107 214 D HN 0.646 nan 8.370 nan 0.000 0.422 215 E N 0.034 120.274 120.200 0.068 0.000 2.366 215 E HA 0.275 4.625 4.350 0.001 0.000 0.266 215 E C 0.268 176.944 176.600 0.126 0.000 1.051 215 E CA -0.208 56.235 56.400 0.071 0.000 0.884 215 E CB 0.609 30.316 29.700 0.011 0.000 1.006 215 E HN 0.119 nan 8.360 nan 0.000 0.417 216 R N 4.494 125.093 120.500 0.164 0.000 2.491 216 R HA 0.067 4.408 4.340 0.001 0.000 0.283 216 R C -1.657 174.659 176.300 0.027 0.000 1.072 216 R CA -1.199 55.008 56.100 0.179 0.000 1.048 216 R CB 0.282 30.692 30.300 0.182 0.000 0.983 216 R HN 0.505 nan 8.270 nan 0.000 0.450 217 P HA -0.257 nan 4.420 nan 0.000 0.216 217 P C 0.923 178.202 177.300 -0.036 0.000 1.153 217 P CA 1.295 64.347 63.100 -0.079 0.000 0.858 217 P CB 0.163 31.792 31.700 -0.117 0.000 0.789 218 E N 0.132 120.324 120.200 -0.013 0.000 2.110 218 E HA -0.220 4.130 4.350 0.001 0.000 0.193 218 E C 1.669 178.263 176.600 -0.010 0.000 0.988 218 E CA 1.248 57.642 56.400 -0.009 0.000 0.804 218 E CB -1.137 28.564 29.700 0.001 0.000 0.745 218 E HN 0.256 nan 8.360 nan 0.000 0.458 219 E N 0.926 121.126 120.200 -0.001 0.000 2.153 219 E HA -0.091 4.259 4.350 0.001 0.000 0.194 219 E C 2.335 178.926 176.600 -0.015 0.000 0.988 219 E CA 0.969 57.365 56.400 -0.007 0.000 0.811 219 E CB -0.051 29.651 29.700 0.002 0.000 0.746 219 E HN 0.207 nan 8.360 nan 0.000 0.466 220 V N 0.978 120.880 119.914 -0.019 0.000 2.237 220 V HA -0.275 3.846 4.120 0.001 0.000 0.245 220 V C 2.808 178.887 176.094 -0.024 0.000 1.046 220 V CA 2.337 64.622 62.300 -0.025 0.000 1.007 220 V CB -1.198 30.605 31.823 -0.033 0.000 0.638 220 V HN 0.420 nan 8.190 nan 0.000 0.445 221 T N -1.035 113.504 114.554 -0.025 0.000 2.881 221 T HA -0.257 4.094 4.350 0.001 0.000 0.270 221 T C 1.621 176.307 174.700 -0.023 0.000 1.068 221 T CA 2.037 64.123 62.100 -0.024 0.000 1.131 221 T CB -0.480 68.374 68.868 -0.024 0.000 0.871 221 T HN 0.580 nan 8.240 nan 0.000 0.479 222 D N 0.558 120.945 120.400 -0.023 0.000 2.117 222 D HA -0.015 4.626 4.640 0.001 0.000 0.198 222 D C 1.996 178.280 176.300 -0.025 0.000 0.982 222 D CA 1.088 55.073 54.000 -0.024 0.000 0.828 222 D CB -0.418 40.366 40.800 -0.025 0.000 0.967 222 D HN 0.558 nan 8.370 nan 0.000 0.464 223 I N -0.299 120.256 120.570 -0.024 0.000 2.353 223 I HA -0.127 4.044 4.170 0.001 0.000 0.248 223 I C 2.613 178.717 176.117 -0.023 0.000 1.119 223 I CA 0.544 61.830 61.300 -0.024 0.000 1.417 223 I CB -0.200 37.787 38.000 -0.022 0.000 1.078 223 I HN 0.031 nan 8.210 nan 0.000 0.421 224 R N 1.717 122.204 120.500 -0.022 0.000 2.060 224 R HA -0.114 4.226 4.340 0.001 0.000 0.225 224 R C 0.913 177.201 176.300 -0.020 0.000 1.155 224 R CA 0.856 56.944 56.100 -0.020 0.000 0.930 224 R CB -0.263 30.024 30.300 -0.020 0.000 0.829 224 R HN 0.399 nan 8.270 nan 0.000 0.433 225 E N 0.348 120.536 120.200 -0.020 0.000 2.436 225 E HA -0.049 4.301 4.350 0.001 0.000 0.262 225 E C 0.055 176.642 176.600 -0.022 0.000 1.063 225 E CA 0.762 57.150 56.400 -0.020 0.000 0.944 225 E CB 0.938 30.625 29.700 -0.020 0.000 0.950 225 E HN 0.487 nan 8.360 nan 0.000 0.444 226 S N 0.549 116.237 115.700 -0.021 0.000 1.895 226 S HA -0.208 4.262 4.470 0.001 0.000 0.245 226 S C 0.104 174.690 174.600 -0.023 0.000 1.057 226 S CA 1.499 59.685 58.200 -0.024 0.000 1.369 226 S CB -2.214 60.970 63.200 -0.027 0.000 1.690 226 S HN 1.437 nan 8.310 nan 0.000 0.555 227 T N 0.402 114.943 114.554 -0.021 0.000 2.887 227 T HA 0.694 5.045 4.350 0.001 0.000 0.292 227 T C -0.915 173.774 174.700 -0.017 0.000 1.087 227 T CA -0.109 61.979 62.100 -0.020 0.000 1.009 227 T CB 1.618 70.473 68.868 -0.022 0.000 1.203 227 T HN 1.230 nan 8.240 nan 0.000 0.518 228 N N -0.538 118.153 118.700 -0.016 0.000 2.549 228 N HA 0.551 5.292 4.740 0.001 0.000 0.290 228 N C -0.742 174.761 175.510 -0.012 0.000 1.122 228 N CA -0.750 52.291 53.050 -0.014 0.000 0.885 228 N CB 1.743 40.222 38.487 -0.014 0.000 1.455 228 N HN 1.312 nan 8.380 nan 0.000 0.521 229 A N 2.473 125.286 122.820 -0.012 0.000 1.891 229 A HA 0.095 4.415 4.320 0.001 0.000 0.233 229 A C -1.096 176.481 177.584 -0.012 0.000 2.878 229 A CA -0.660 51.369 52.037 -0.014 0.000 2.126 229 A CB -1.389 17.602 19.000 -0.015 0.000 0.235 229 A HN 0.634 nan 8.150 nan 0.000 0.945 230 I N 1.675 122.240 120.570 -0.008 0.000 2.287 230 I HA 0.318 4.489 4.170 0.001 0.000 0.290 230 I C -0.055 176.060 176.117 -0.004 0.000 1.069 230 I CA -0.666 60.631 61.300 -0.006 0.000 1.237 230 I CB 1.473 39.471 38.000 -0.003 0.000 1.418 230 I HN 0.208 nan 8.210 nan 0.000 0.481 231 V N 7.987 127.896 119.914 -0.008 0.000 2.333 231 V HA 0.405 4.525 4.120 0.001 0.000 0.274 231 V C 0.062 176.151 176.094 -0.009 0.000 1.028 231 V CA -0.400 61.895 62.300 -0.009 0.000 0.851 231 V CB 1.002 32.817 31.823 -0.014 0.000 1.000 231 V HN 0.457 nan 8.190 nan 0.000 0.456 232 I N 4.077 124.644 120.570 -0.005 0.000 2.404 232 I HA 0.805 4.975 4.170 0.001 0.000 0.293 232 I C 0.303 176.412 176.117 -0.013 0.000 0.992 232 I CA -0.246 61.050 61.300 -0.007 0.000 1.149 232 I CB 1.910 39.912 38.000 0.003 0.000 1.315 232 I HN 0.691 nan 8.210 nan 0.000 0.446 233 A N 4.716 127.522 122.820 -0.023 0.000 2.401 233 A HA 0.940 5.260 4.320 0.001 0.000 0.310 233 A C -0.810 176.750 177.584 -0.040 0.000 1.075 233 A CA -0.649 51.369 52.037 -0.032 0.000 0.746 233 A CB 1.683 20.661 19.000 -0.037 0.000 1.277 233 A HN 0.782 nan 8.150 nan 0.000 0.425 234 A N 3.082 125.875 122.820 -0.045 0.000 2.893 234 A HA 0.714 5.035 4.320 0.001 0.000 0.333 234 A C -3.039 174.512 177.584 -0.055 0.000 1.152 234 A CA -1.421 50.585 52.037 -0.052 0.000 0.782 234 A CB 0.282 19.250 19.000 -0.052 0.000 1.108 234 A HN 0.467 nan 8.150 nan 0.000 0.469 235 P HA 0.197 nan 4.420 nan 0.000 0.274 235 P C 0.839 178.053 177.300 -0.143 0.000 1.231 235 P CA -0.554 62.469 63.100 -0.129 0.000 0.790 235 P CB 0.246 31.811 31.700 -0.224 0.000 0.951 236 F N 0.762 120.692 119.950 -0.032 0.000 2.481 236 F HA -0.141 4.387 4.527 0.001 0.000 0.297 236 F C 0.646 176.430 175.800 -0.026 0.000 1.095 236 F CA 1.014 58.996 58.000 -0.030 0.000 1.465 236 F CB -1.192 37.791 39.000 -0.027 0.000 1.098 236 F HN 0.156 nan 8.300 nan 0.000 0.585 237 D N -0.199 119.972 120.400 -0.383 0.000 2.501 237 D HA 0.139 4.779 4.640 0.001 0.000 0.226 237 D C 0.307 176.529 176.300 -0.130 0.000 1.198 237 D CA -0.250 53.623 54.000 -0.213 0.000 0.830 237 D CB -0.483 40.086 40.800 -0.386 0.000 1.014 237 D HN 0.467 nan 8.370 nan 0.000 0.496 238 M N 1.140 120.679 119.600 -0.100 0.000 2.314 238 M HA 0.410 4.890 4.480 0.001 0.000 0.342 238 M C -2.598 173.681 176.300 -0.034 0.000 1.171 238 M CA -1.741 53.518 55.300 -0.067 0.000 1.098 238 M CB 1.602 34.161 32.600 -0.069 0.000 1.559 238 M HN -0.328 nan 8.290 nan 0.000 0.459 239 P HA 0.210 nan 4.420 nan 0.000 0.271 239 P C -2.406 174.877 177.300 -0.028 0.000 1.216 239 P CA -1.050 62.038 63.100 -0.019 0.000 0.771 239 P CB 0.147 31.838 31.700 -0.016 0.000 0.864 240 P HA -0.270 nan 4.420 nan 0.000 0.217 240 P C 0.789 178.046 177.300 -0.072 0.000 1.162 240 P CA 1.844 64.916 63.100 -0.047 0.000 0.901 240 P CB -0.272 31.409 31.700 -0.032 0.000 0.793 241 D N -0.782 119.587 120.400 -0.051 0.000 2.263 241 D HA -0.155 4.486 4.640 0.001 0.000 0.208 241 D C 1.529 177.799 176.300 -0.051 0.000 0.971 241 D CA 1.224 55.192 54.000 -0.053 0.000 0.867 241 D CB -0.828 39.958 40.800 -0.025 0.000 0.929 241 D HN 0.246 nan 8.370 nan 0.000 0.492 242 K N -0.020 120.354 120.400 -0.042 0.000 2.116 242 K HA -0.016 4.304 4.320 0.001 0.000 0.203 242 K C 2.249 178.820 176.600 -0.049 0.000 1.052 242 K CA 0.593 56.860 56.287 -0.034 0.000 0.952 242 K CB -0.070 32.415 32.500 -0.025 0.000 0.729 242 K HN 0.186 nan 8.250 nan 0.000 0.446 243 Q N 0.569 120.329 119.800 -0.067 0.000 2.112 243 Q HA -0.174 4.166 4.340 0.001 0.000 0.206 243 Q C 2.140 178.071 176.000 -0.115 0.000 0.987 243 Q CA 1.531 57.284 55.803 -0.083 0.000 0.858 243 Q CB -0.167 28.518 28.738 -0.088 0.000 0.905 243 Q HN 0.088 nan 8.270 nan 0.000 0.420 244 V N 0.912 120.725 119.914 -0.169 0.000 2.407 244 V HA -0.261 3.859 4.120 0.001 0.000 0.248 244 V C 1.945 177.989 176.094 -0.083 0.000 1.055 244 V CA 1.813 63.969 62.300 -0.240 0.000 1.049 244 V CB -0.316 31.301 31.823 -0.344 0.000 0.662 244 V HN 0.284 nan 8.190 nan 0.000 0.455 245 K N -0.577 119.797 120.400 -0.043 0.000 2.155 245 K HA -0.068 4.253 4.320 0.001 0.000 0.203 245 K C 1.992 178.602 176.600 0.016 0.000 1.052 245 K CA 0.888 57.178 56.287 0.005 0.000 0.948 245 K CB -0.203 32.302 32.500 0.009 0.000 0.728 245 K HN 0.298 nan 8.250 nan 0.000 0.448 246 V N 1.201 121.115 119.914 -0.000 0.000 2.358 246 V HA -0.259 3.861 4.120 0.001 0.000 0.246 246 V C 2.264 178.383 176.094 0.041 0.000 1.047 246 V CA 2.045 64.351 62.300 0.010 0.000 1.035 246 V CB -0.565 31.253 31.823 -0.009 0.000 0.658 246 V HN 0.358 nan 8.190 nan 0.000 0.452 247 A N -0.103 122.742 122.820 0.043 0.000 1.858 247 A HA -0.260 4.060 4.320 0.001 0.000 0.216 247 A C 2.163 179.898 177.584 0.253 0.000 1.190 247 A CA 2.036 54.146 52.037 0.122 0.000 0.617 247 A CB -0.533 18.494 19.000 0.046 0.000 0.827 247 A HN 0.625 nan 8.150 nan 0.000 0.443 248 E N -0.794 119.526 120.200 0.199 0.000 2.077 248 E HA -0.174 4.177 4.350 0.001 0.000 0.193 248 E C 1.943 178.596 176.600 0.087 0.000 0.989 248 E CA 1.145 57.656 56.400 0.184 0.000 0.800 248 E CB -0.271 29.527 29.700 0.163 0.000 0.746 248 E HN 0.453 nan 8.360 nan 0.000 0.452 249 L N 1.176 122.434 121.223 0.057 0.000 2.083 249 L HA -0.145 4.195 4.340 0.001 0.000 0.209 249 L C 2.156 179.028 176.870 0.003 0.000 1.083 249 L CA 1.867 56.715 54.840 0.013 0.000 0.752 249 L CB -0.719 41.343 42.059 0.005 0.000 0.899 249 L HN 0.037 nan 8.230 nan 0.000 0.433 250 T N -0.223 114.359 114.554 0.046 0.000 2.684 250 T HA -0.214 4.136 4.350 0.001 0.000 0.267 250 T C 1.802 176.502 174.700 0.000 0.000 1.036 250 T CA 1.767 63.895 62.100 0.047 0.000 1.148 250 T CB -0.424 68.512 68.868 0.115 0.000 0.863 250 T HN 0.274 nan 8.240 nan 0.000 0.436 251 L N 1.319 122.539 121.223 -0.005 0.000 2.046 251 L HA -0.031 4.310 4.340 0.001 0.000 0.208 251 L C 2.378 179.103 176.870 -0.241 0.000 1.077 251 L CA 1.761 56.464 54.840 -0.228 0.000 0.747 251 L CB -0.617 41.210 42.059 -0.387 0.000 0.896 251 L HN 0.070 nan 8.230 nan 0.000 0.432 252 E N -0.722 119.384 120.200 -0.156 0.000 2.077 252 E HA -0.280 4.070 4.350 0.001 0.000 0.193 252 E C 2.161 178.664 176.600 -0.161 0.000 0.989 252 E CA 1.651 57.952 56.400 -0.164 0.000 0.800 252 E CB -0.435 29.204 29.700 -0.102 0.000 0.746 252 E HN 0.605 nan 8.360 nan 0.000 0.452 253 M N 0.233 119.756 119.600 -0.129 0.000 2.117 253 M HA -0.147 4.334 4.480 0.001 0.000 0.262 253 M C 2.100 178.317 176.300 -0.139 0.000 1.065 253 M CA 1.882 57.102 55.300 -0.134 0.000 1.114 253 M CB -0.023 32.513 32.600 -0.108 0.000 1.361 253 M HN 0.055 nan 8.290 nan 0.000 0.408 254 A N 0.587 123.324 122.820 -0.138 0.000 1.898 254 A HA -0.151 4.169 4.320 0.001 0.000 0.216 254 A C 2.055 179.563 177.584 -0.127 0.000 1.181 254 A CA 1.742 53.711 52.037 -0.113 0.000 0.620 254 A CB -0.546 18.388 19.000 -0.109 0.000 0.819 254 A HN 0.578 nan 8.150 nan 0.000 0.442 255 K N -0.863 119.360 120.400 -0.294 0.000 2.032 255 K HA -0.172 4.149 4.320 0.001 0.000 0.209 255 K C 2.286 178.868 176.600 -0.030 0.000 1.048 255 K CA 1.461 57.498 56.287 -0.416 0.000 0.927 255 K CB -0.176 31.863 32.500 -0.769 0.000 0.712 255 K HN 0.122 nan 8.250 nan 0.000 0.441 256 R N 1.055 121.515 120.500 -0.065 0.000 2.091 256 R HA -0.065 4.275 4.340 0.001 0.000 0.238 256 R C 2.143 178.478 176.300 0.058 0.000 1.136 256 R CA 1.219 57.313 56.100 -0.010 0.000 0.959 256 R CB -0.837 29.381 30.300 -0.137 0.000 0.856 256 R HN 0.210 nan 8.270 nan 0.000 0.437 257 L N -0.390 120.842 121.223 0.015 0.000 2.201 257 L HA -0.102 4.238 4.340 0.001 0.000 0.212 257 L C 2.104 179.196 176.870 0.371 0.000 1.105 257 L CA 0.583 55.497 54.840 0.123 0.000 0.775 257 L CB -0.184 41.847 42.059 -0.047 0.000 0.913 257 L HN -0.042 nan 8.230 nan 0.000 0.440 258 V N -0.642 119.452 119.914 0.300 0.000 2.488 258 V HA -0.206 3.914 4.120 0.001 0.000 0.246 258 V C 2.241 178.514 176.094 0.298 0.000 1.046 258 V CA 1.349 63.841 62.300 0.320 0.000 1.053 258 V CB -0.294 31.755 31.823 0.378 0.000 0.679 258 V HN 0.417 nan 8.190 nan 0.000 0.458 259 E N -0.423 119.985 120.200 0.346 0.000 2.160 259 E HA -0.209 4.141 4.350 0.001 0.000 0.195 259 E C 1.430 178.202 176.600 0.288 0.000 0.991 259 E CA 1.354 57.934 56.400 0.301 0.000 0.810 259 E CB -0.086 29.829 29.700 0.358 0.000 0.742 259 E HN 0.579 nan 8.360 nan 0.000 0.466 260 F N 0.398 120.433 119.950 0.143 0.000 2.645 260 F HA 0.194 4.721 4.527 0.001 0.000 0.300 260 F C 0.749 176.544 175.800 -0.008 0.000 1.115 260 F CA 0.065 58.136 58.000 0.117 0.000 1.355 260 F CB -0.128 39.021 39.000 0.248 0.000 1.026 260 F HN -0.051 nan 8.300 nan 0.000 0.536 261 N N -0.347 118.430 118.700 0.129 0.000 2.869 261 N HA -0.256 4.484 4.740 0.001 0.000 0.249 261 N C -0.729 174.728 175.510 -0.089 0.000 1.104 261 N CA 0.099 53.136 53.050 -0.022 0.000 0.760 261 N CB -1.184 37.233 38.487 -0.115 0.000 1.108 261 N HN 0.235 nan 8.380 nan 0.000 0.555 262 Y N 0.769 121.154 120.300 0.143 0.000 2.354 262 Y HA 0.301 4.851 4.550 0.001 0.000 0.322 262 Y C 0.766 176.732 175.900 0.110 0.000 1.253 262 Y CA -0.236 57.942 58.100 0.130 0.000 1.272 262 Y CB 0.627 39.177 38.460 0.150 0.000 1.255 262 Y HN -0.039 nan 8.280 nan 0.000 0.500 263 D N 1.831 122.401 120.400 0.283 0.000 2.313 263 D HA 0.339 4.980 4.640 0.001 0.000 0.239 263 D C -0.953 175.496 176.300 0.248 0.000 1.142 263 D CA 0.086 54.216 54.000 0.218 0.000 0.847 263 D CB 1.430 42.327 40.800 0.162 0.000 1.082 263 D HN 0.128 nan 8.370 nan 0.000 0.480 264 V N 2.452 122.495 119.914 0.215 0.000 2.628 264 V HA 0.461 4.582 4.120 0.001 0.000 0.306 264 V C 0.170 176.358 176.094 0.157 0.000 1.045 264 V CA -0.841 61.559 62.300 0.166 0.000 0.905 264 V CB 2.333 34.230 31.823 0.123 0.000 0.997 264 V HN 0.220 nan 8.190 nan 0.000 0.436 265 V N 5.130 125.107 119.914 0.107 0.000 2.604 265 V HA 0.558 4.678 4.120 0.001 0.000 0.305 265 V C -0.445 175.683 176.094 0.057 0.000 1.043 265 V CA -0.464 61.879 62.300 0.071 0.000 0.888 265 V CB 2.008 33.813 31.823 -0.030 0.000 0.995 265 V HN 0.676 nan 8.190 nan 0.000 0.429 266 I N 5.140 125.760 120.570 0.084 0.000 2.389 266 I HA 0.427 4.597 4.170 0.001 0.000 0.288 266 I C -0.697 175.481 176.117 0.102 0.000 0.999 266 I CA -0.504 60.858 61.300 0.104 0.000 1.129 266 I CB 1.768 39.871 38.000 0.171 0.000 1.288 266 I HN 0.320 nan 8.210 nan 0.000 0.444 267 L N 6.965 128.225 121.223 0.062 0.000 2.262 267 L HA 0.396 4.736 4.340 0.001 0.000 0.288 267 L C -0.672 176.221 176.870 0.038 0.000 1.035 267 L CA -0.667 54.198 54.840 0.041 0.000 0.820 267 L CB 1.399 43.461 42.059 0.006 0.000 1.204 267 L HN 0.396 nan 8.230 nan 0.000 0.424 268 L N 3.990 125.234 121.223 0.035 0.000 2.276 268 L HA 0.435 4.775 4.340 0.001 0.000 0.286 268 L C -0.652 176.179 176.870 -0.065 0.000 1.024 268 L CA -0.008 54.823 54.840 -0.015 0.000 0.826 268 L CB 1.282 43.327 42.059 -0.024 0.000 1.211 268 L HN 0.373 nan 8.230 nan 0.000 0.422 269 D N 3.079 123.441 120.400 -0.064 0.000 2.427 269 D HA 0.585 5.225 4.640 0.001 0.000 0.226 269 D C -0.799 175.447 176.300 -0.089 0.000 1.076 269 D CA 0.113 54.069 54.000 -0.074 0.000 0.849 269 D CB 1.019 41.791 40.800 -0.047 0.000 1.052 269 D HN 0.637 nan 8.370 nan 0.000 0.515 270 S N 2.170 117.799 115.700 -0.118 0.000 2.732 270 S HA 0.428 4.899 4.470 0.001 0.000 0.293 270 S C 1.124 175.589 174.600 -0.224 0.000 1.159 270 S CA -0.866 57.240 58.200 -0.157 0.000 0.847 270 S CB 0.956 64.079 63.200 -0.129 0.000 1.169 270 S HN 0.300 nan 8.310 nan 0.000 0.501 271 L N 0.591 121.616 121.223 -0.329 0.000 2.072 271 L HA -0.060 4.281 4.340 0.001 0.000 0.205 271 L C 2.722 179.402 176.870 -0.317 0.000 1.079 271 L CA 1.526 56.098 54.840 -0.446 0.000 0.752 271 L CB -1.064 40.473 42.059 -0.870 0.000 0.906 271 L HN 0.857 nan 8.230 nan 0.000 0.436 272 T N -0.330 114.069 114.554 -0.259 0.000 2.620 272 T HA -0.311 4.039 4.350 0.001 0.000 0.267 272 T C 1.978 176.649 174.700 -0.048 0.000 1.044 272 T CA 1.757 63.794 62.100 -0.105 0.000 1.161 272 T CB -0.257 68.572 68.868 -0.064 0.000 0.862 272 T HN 0.315 nan 8.240 nan 0.000 0.438 273 R N -0.126 120.335 120.500 -0.065 0.000 2.127 273 R HA 0.167 4.507 4.340 0.001 0.000 0.217 273 R C 2.403 178.690 176.300 -0.023 0.000 1.074 273 R CA 0.338 56.418 56.100 -0.032 0.000 0.991 273 R CB -0.479 29.801 30.300 -0.034 0.000 0.895 273 R HN 0.203 nan 8.270 nan 0.000 0.450 274 L N 1.293 122.483 121.223 -0.056 0.000 2.021 274 L HA -0.233 4.108 4.340 0.001 0.000 0.215 274 L C 2.231 179.192 176.870 0.152 0.000 1.074 274 L CA 2.122 56.955 54.840 -0.013 0.000 0.760 274 L CB -0.781 41.215 42.059 -0.104 0.000 0.889 274 L HN 0.150 nan 8.230 nan 0.000 0.433 275 A N -0.496 122.401 122.820 0.127 0.000 1.851 275 A HA -0.267 4.053 4.320 0.001 0.000 0.216 275 A C 2.405 180.100 177.584 0.184 0.000 1.195 275 A CA 2.133 54.295 52.037 0.207 0.000 0.622 275 A CB -0.646 18.469 19.000 0.192 0.000 0.831 275 A HN 0.518 nan 8.150 nan 0.000 0.444 276 R N -0.889 119.673 120.500 0.104 0.000 2.127 276 R HA -0.079 4.261 4.340 0.001 0.000 0.238 276 R C 2.018 178.355 176.300 0.063 0.000 1.134 276 R CA 1.308 57.454 56.100 0.076 0.000 0.975 276 R CB -0.587 29.738 30.300 0.042 0.000 0.865 276 R HN 0.398 nan 8.270 nan 0.000 0.447 277 V N -0.010 119.925 119.914 0.035 0.000 2.295 277 V HA -0.263 3.858 4.120 0.001 0.000 0.246 277 V C 1.693 177.774 176.094 -0.021 0.000 1.049 277 V CA 1.680 63.961 62.300 -0.032 0.000 1.024 277 V CB -0.478 31.275 31.823 -0.117 0.000 0.648 277 V HN 0.297 nan 8.190 nan 0.000 0.447 278 Y N 0.357 120.679 120.300 0.036 0.000 2.403 278 Y HA -0.210 4.340 4.550 0.000 0.000 0.291 278 Y C 2.512 178.443 175.900 0.051 0.000 1.143 278 Y CA 1.852 59.984 58.100 0.053 0.000 1.257 278 Y CB -0.264 38.243 38.460 0.078 0.000 0.984 278 Y HN 0.357 nan 8.280 nan 0.000 0.550 279 N N 0.350 119.163 118.700 0.189 0.000 2.062 279 N HA -0.191 4.549 4.740 0.001 0.000 0.191 279 N C 1.827 177.388 175.510 0.084 0.000 1.042 279 N CA 1.312 54.437 53.050 0.125 0.000 0.845 279 N CB -0.215 38.330 38.487 0.097 0.000 1.024 279 N HN 0.226 nan 8.380 nan 0.000 0.424 280 I N 0.889 121.494 120.570 0.058 0.000 2.145 280 I HA -0.281 3.889 4.170 0.001 0.000 0.244 280 I C 2.104 178.241 176.117 0.034 0.000 1.075 280 I CA 1.153 62.475 61.300 0.036 0.000 1.332 280 I CB -0.097 37.915 38.000 0.019 0.000 1.033 280 I HN 0.076 nan 8.210 nan 0.000 0.410 281 V N 1.058 120.992 119.914 0.032 0.000 2.951 281 V HA -0.032 4.088 4.120 0.001 0.000 0.255 281 V C 0.971 177.099 176.094 0.058 0.000 1.088 281 V CA 0.466 62.782 62.300 0.026 0.000 1.109 281 V CB -0.136 31.680 31.823 -0.013 0.000 0.724 281 V HN 0.305 nan 8.190 nan 0.000 0.471 282 V N 0.083 120.054 119.914 0.094 0.000 2.811 282 V HA 0.475 4.596 4.120 0.001 0.000 0.302 282 V C -2.176 173.952 176.094 0.056 0.000 1.063 282 V CA -1.506 60.852 62.300 0.097 0.000 1.088 282 V CB 0.658 32.556 31.823 0.124 0.000 0.982 282 V HN 0.285 nan 8.190 nan 0.000 0.485 283 P HA 0.687 nan 4.420 nan 0.000 0.309 283 P C -2.885 174.424 177.300 0.014 0.000 1.452 283 P CA -1.682 61.432 63.100 0.024 0.000 1.053 283 P CB 2.273 33.984 31.700 0.020 0.000 1.167 284 P HA 0.134 nan 4.420 nan 0.000 0.449 284 P C 0.116 177.421 177.300 0.008 0.000 1.309 284 P CA -0.182 62.926 63.100 0.015 0.000 1.734 284 P CB 0.411 32.120 31.700 0.015 0.000 2.042 285 S N -2.050 113.651 115.700 0.002 0.000 2.502 285 S HA 0.320 4.790 4.470 0.001 0.000 0.215 285 S C 1.308 175.906 174.600 -0.004 0.000 1.009 285 S CA 0.386 58.584 58.200 -0.003 0.000 0.908 285 S CB -0.459 62.735 63.200 -0.010 0.000 0.801 285 S HN 0.257 nan 8.310 nan 0.000 0.505 286 G N 2.152 110.950 108.800 -0.003 0.000 3.026 286 G HA2 -0.034 3.926 3.960 0.001 0.000 0.232 286 G HA3 -0.034 3.926 3.960 0.001 0.000 0.232 286 G C 0.299 175.198 174.900 -0.001 0.000 1.241 286 G CA 0.027 45.125 45.100 -0.003 0.000 0.858 286 G HN 0.425 nan 8.290 nan 0.000 0.592 287 K N -0.305 120.094 120.400 -0.002 0.000 2.773 287 K HA 0.229 4.550 4.320 0.001 0.000 0.222 287 K C 0.439 177.040 176.600 0.003 0.000 0.985 287 K CA 0.220 56.507 56.287 -0.001 0.000 1.126 287 K CB -1.090 31.409 32.500 -0.002 0.000 0.919 287 K HN 0.881 nan 8.250 nan 0.000 0.487 288 L N -1.441 119.785 121.223 0.005 0.000 0.593 288 L HA -0.172 4.169 4.340 0.001 0.000 0.356 288 L C -1.160 175.716 176.870 0.011 0.000 1.004 288 L CA -0.281 54.564 54.840 0.008 0.000 1.222 288 L CB -0.218 41.845 42.059 0.007 0.000 0.096 288 L HN 0.071 nan 8.230 nan 0.000 0.107 289 L N 3.092 124.323 121.223 0.013 0.000 2.479 289 L HA 0.574 4.915 4.340 0.001 0.000 0.248 289 L C 1.265 178.146 176.870 0.018 0.000 1.205 289 L CA 0.498 55.349 54.840 0.018 0.000 0.817 289 L CB 0.825 42.895 42.059 0.019 0.000 1.162 289 L HN 0.926 nan 8.230 nan 0.000 0.486 290 T N -5.383 109.184 114.554 0.022 0.000 3.270 290 T HA 0.053 4.403 4.350 0.001 0.000 0.279 290 T C 1.224 175.941 174.700 0.028 0.000 0.857 290 T CA 0.219 62.333 62.100 0.023 0.000 0.849 290 T CB -0.177 68.705 68.868 0.024 0.000 1.241 290 T HN 0.627 nan 8.240 nan 0.000 0.663 291 G N 2.211 111.030 108.800 0.032 0.000 2.484 291 G HA2 0.299 4.259 3.960 0.001 0.000 0.215 291 G HA3 0.299 4.259 3.960 0.001 0.000 0.215 291 G C 1.071 175.988 174.900 0.029 0.000 1.219 291 G CA 0.332 45.454 45.100 0.036 0.000 0.791 291 G HN 0.839 nan 8.290 nan 0.000 0.550 292 G N -0.241 108.573 108.800 0.024 0.000 2.195 292 G HA2 0.365 4.325 3.960 0.001 0.000 0.264 292 G HA3 0.365 4.325 3.960 0.001 0.000 0.264 292 G C -0.840 174.080 174.900 0.033 0.000 1.148 292 G CA -0.022 45.093 45.100 0.025 0.000 1.023 292 G HN 0.458 nan 8.290 nan 0.000 0.429 293 V N 4.093 124.029 119.914 0.036 0.000 2.569 293 V HA 0.193 4.314 4.120 0.001 0.000 0.301 293 V C -0.541 175.577 176.094 0.040 0.000 1.044 293 V CA -1.184 61.142 62.300 0.045 0.000 0.874 293 V CB 1.997 33.853 31.823 0.054 0.000 1.002 293 V HN 0.749 nan 8.190 nan 0.000 0.424 294 D N 6.418 126.843 120.400 0.042 0.000 2.325 294 D HA 0.241 4.882 4.640 0.001 0.000 0.251 294 D C -1.547 174.773 176.300 0.033 0.000 1.196 294 D CA -1.671 52.349 54.000 0.033 0.000 0.866 294 D CB 2.356 43.176 40.800 0.032 0.000 1.101 294 D HN 0.198 nan 8.370 nan 0.000 0.476 295 P HA -0.229 nan 4.420 nan 0.000 0.219 295 P C 1.008 178.321 177.300 0.022 0.000 1.151 295 P CA 1.518 64.628 63.100 0.017 0.000 0.850 295 P CB 0.157 31.860 31.700 0.006 0.000 0.784 296 A N -0.482 122.347 122.820 0.015 0.000 2.084 296 A HA -0.130 4.190 4.320 0.001 0.000 0.221 296 A C 1.947 179.556 177.584 0.043 0.000 1.161 296 A CA 1.910 53.949 52.037 0.003 0.000 0.653 296 A CB -1.470 17.523 19.000 -0.011 0.000 0.802 296 A HN 0.260 nan 8.150 nan 0.000 0.457 297 A N -1.135 121.725 122.820 0.066 0.000 2.623 297 A HA -0.171 4.150 4.320 0.001 0.000 0.260 297 A C 1.344 178.958 177.584 0.050 0.000 1.768 297 A CA 3.106 55.201 52.037 0.096 0.000 1.052 297 A CB -1.081 17.973 19.000 0.091 0.000 0.464 297 A HN 2.142 nan 8.150 nan 0.000 0.414 298 L N -5.418 115.807 121.223 0.003 0.000 3.152 298 L HA -0.045 4.296 4.340 0.001 0.000 0.435 298 L C 0.272 177.169 176.870 0.046 0.000 0.881 298 L CA 1.332 56.190 54.840 0.030 0.000 1.689 298 L CB -2.103 39.996 42.059 0.067 0.000 1.626 298 L HN 1.266 nan 8.230 nan 0.000 0.449 299 Y N 0.802 121.043 120.300 -0.098 0.000 2.488 299 Y HA -0.473 4.077 4.550 0.001 0.000 0.343 299 Y C 1.793 177.593 175.900 -0.168 0.000 1.215 299 Y CA 2.231 60.261 58.100 -0.116 0.000 1.309 299 Y CB -0.070 38.318 38.460 -0.120 0.000 1.141 299 Y HN 0.471 nan 8.280 nan 0.000 0.747 300 K N -0.395 119.843 120.400 -0.270 0.000 2.450 300 K HA 0.152 4.473 4.320 0.001 0.000 0.206 300 K C -1.926 174.515 176.600 -0.266 0.000 1.148 300 K CA 0.276 56.338 56.287 -0.375 0.000 1.014 300 K CB -0.027 32.248 32.500 -0.375 0.000 0.966 300 K HN 0.252 nan 8.250 nan 0.000 0.566 301 P HA -0.140 nan 4.420 nan 0.000 0.216 301 P C 0.826 178.307 177.300 0.302 0.000 1.150 301 P CA 1.223 64.393 63.100 0.116 0.000 0.837 301 P CB 0.132 31.954 31.700 0.203 0.000 0.786 302 K N -0.619 119.875 120.400 0.157 0.000 2.097 302 K HA -0.104 4.216 4.320 0.001 0.000 0.205 302 K C 2.331 178.992 176.600 0.103 0.000 1.050 302 K CA 1.007 57.372 56.287 0.130 0.000 0.938 302 K CB -0.232 32.206 32.500 -0.102 0.000 0.718 302 K HN 0.018 nan 8.250 nan 0.000 0.442 303 R N -0.152 120.309 120.500 -0.066 0.000 2.148 303 R HA -0.074 4.267 4.340 0.001 0.000 0.223 303 R C 2.068 178.387 176.300 0.032 0.000 1.088 303 R CA 0.732 56.758 56.100 -0.123 0.000 0.985 303 R CB -0.077 29.999 30.300 -0.373 0.000 0.880 303 R HN 0.128 nan 8.270 nan 0.000 0.451 304 F N -0.118 119.840 119.950 0.013 0.000 2.060 304 F HA -0.223 4.304 4.527 0.001 0.000 0.295 304 F C 1.910 177.820 175.800 0.184 0.000 1.120 304 F CA 1.344 59.395 58.000 0.085 0.000 1.205 304 F CB -0.379 38.688 39.000 0.113 0.000 0.986 304 F HN -0.051 nan 8.300 nan 0.000 0.470 305 F N 1.231 121.422 119.950 0.401 0.000 2.202 305 F HA -0.022 4.506 4.527 0.001 0.000 0.301 305 F C 2.321 178.215 175.800 0.156 0.000 1.082 305 F CA 1.405 59.580 58.000 0.291 0.000 1.313 305 F CB -1.214 37.973 39.000 0.311 0.000 1.024 305 F HN 0.007 nan 8.300 nan 0.000 0.495 306 G N -1.000 107.870 108.800 0.117 0.000 2.679 306 G HA2 0.024 3.984 3.960 0.001 0.000 0.212 306 G HA3 0.024 3.984 3.960 0.001 0.000 0.212 306 G C 1.687 176.571 174.900 -0.028 0.000 1.137 306 G CA 0.508 45.588 45.100 -0.034 0.000 0.787 306 G HN 0.526 nan 8.290 nan 0.000 0.534 307 A N 0.314 123.130 122.820 -0.007 0.000 2.119 307 A HA 0.634 4.954 4.320 0.001 0.000 0.216 307 A C 1.737 179.383 177.584 0.103 0.000 1.152 307 A CA 0.821 52.883 52.037 0.042 0.000 0.708 307 A CB -0.278 18.640 19.000 -0.137 0.000 0.805 307 A HN 0.719 nan 8.150 nan 0.000 0.460 308 A N 1.010 123.833 122.820 0.004 0.000 2.540 308 A HA 0.466 4.786 4.320 0.001 0.000 0.239 308 A C 0.623 178.217 177.584 0.016 0.000 1.061 308 A CA 0.577 52.624 52.037 0.017 0.000 0.758 308 A CB -0.134 18.829 19.000 -0.062 0.000 0.991 308 A HN 0.899 nan 8.150 nan 0.000 0.502 309 R N 1.326 121.853 120.500 0.044 0.000 2.824 309 R HA 0.263 4.603 4.340 0.001 0.000 0.267 309 R C -1.477 174.820 176.300 -0.007 0.000 1.035 309 R CA -0.863 55.232 56.100 -0.009 0.000 0.887 309 R CB 0.435 30.695 30.300 -0.066 0.000 1.262 309 R HN 0.593 nan 8.270 nan 0.000 0.487 310 N N 0.519 119.199 118.700 -0.033 0.000 2.476 310 N HA 0.471 5.211 4.740 0.001 0.000 0.275 310 N C -1.288 174.165 175.510 -0.095 0.000 1.190 310 N CA 0.312 53.335 53.050 -0.045 0.000 0.977 310 N CB 1.749 40.214 38.487 -0.036 0.000 1.200 310 N HN 0.717 nan 8.380 nan 0.000 0.515 311 T N -0.857 113.641 114.554 -0.094 0.000 2.909 311 T HA 0.443 4.794 4.350 0.001 0.000 0.299 311 T C 0.801 175.442 174.700 -0.098 0.000 1.073 311 T CA -0.796 61.228 62.100 -0.126 0.000 0.999 311 T CB 1.511 70.287 68.868 -0.153 0.000 1.098 311 T HN 0.348 nan 8.240 nan 0.000 0.477 312 R N 1.351 121.788 120.500 -0.104 0.000 2.096 312 R HA -0.031 4.309 4.340 0.001 0.000 0.235 312 R C 1.592 177.849 176.300 -0.072 0.000 1.127 312 R CA 1.765 57.815 56.100 -0.083 0.000 0.968 312 R CB -0.319 29.930 30.300 -0.084 0.000 0.861 312 R HN 0.919 nan 8.270 nan 0.000 0.440 313 E N -0.695 119.458 120.200 -0.078 0.000 2.562 313 E HA 0.310 4.660 4.350 0.001 0.000 0.214 313 E C 0.557 177.120 176.600 -0.061 0.000 0.979 313 E CA 0.185 56.544 56.400 -0.068 0.000 1.002 313 E CB 1.122 30.779 29.700 -0.072 0.000 1.048 313 E HN 0.200 nan 8.360 nan 0.000 0.488 314 G N -0.227 108.542 108.800 -0.052 0.000 2.328 314 G HA2 0.450 4.410 3.960 0.001 0.000 0.299 314 G HA3 0.450 4.410 3.960 0.001 0.000 0.299 314 G C -0.878 174.010 174.900 -0.020 0.000 1.435 314 G CA -0.239 44.830 45.100 -0.051 0.000 0.865 314 G HN 0.460 nan 8.290 nan 0.000 0.601 315 G N -1.293 107.503 108.800 -0.007 0.000 2.328 315 G HA2 0.737 4.697 3.960 0.001 0.000 0.299 315 G HA3 0.737 4.697 3.960 0.001 0.000 0.299 315 G C -0.658 174.272 174.900 0.051 0.000 1.435 315 G CA 0.719 45.845 45.100 0.043 0.000 0.865 315 G HN 2.032 nan 8.290 nan 0.000 0.601 316 S N -1.036 114.716 115.700 0.088 0.000 2.568 316 S HA 0.782 5.252 4.470 0.001 0.000 0.293 316 S C -1.212 173.478 174.600 0.151 0.000 1.089 316 S CA -0.893 57.360 58.200 0.088 0.000 0.945 316 S CB 2.282 65.508 63.200 0.043 0.000 1.077 316 S HN 1.425 nan 8.310 nan 0.000 0.485 317 L N 2.201 123.519 121.223 0.158 0.000 2.318 317 L HA 0.531 4.871 4.340 0.001 0.000 0.277 317 L C -0.542 176.412 176.870 0.139 0.000 1.008 317 L CA 0.078 55.016 54.840 0.163 0.000 0.846 317 L CB 0.902 43.078 42.059 0.196 0.000 1.220 317 L HN 0.881 nan 8.230 nan 0.000 0.423 318 T N 6.359 121.013 114.554 0.166 0.000 2.817 318 T HA 0.577 4.928 4.350 0.001 0.000 0.293 318 T C 0.067 174.859 174.700 0.154 0.000 0.964 318 T CA 0.063 62.269 62.100 0.176 0.000 1.085 318 T CB 0.548 69.582 68.868 0.276 0.000 0.921 318 T HN 0.397 nan 8.240 nan 0.000 0.502 319 I N 4.442 125.115 120.570 0.171 0.000 2.418 319 I HA 0.400 4.571 4.170 0.001 0.000 0.287 319 I C -0.568 175.732 176.117 0.305 0.000 1.008 319 I CA -0.843 60.606 61.300 0.248 0.000 1.104 319 I CB 1.539 39.749 38.000 0.350 0.000 1.264 319 I HN 0.367 nan 8.210 nan 0.000 0.438 320 I N 5.622 126.324 120.570 0.221 0.000 2.355 320 I HA 0.617 4.787 4.170 0.001 0.000 0.288 320 I C 0.162 176.353 176.117 0.123 0.000 0.999 320 I CA -0.303 61.107 61.300 0.183 0.000 1.163 320 I CB 1.424 39.481 38.000 0.095 0.000 1.316 320 I HN 0.572 nan 8.210 nan 0.000 0.454 321 A N 4.731 127.591 122.820 0.066 0.000 2.401 321 A HA 0.818 5.138 4.320 0.001 0.000 0.310 321 A C 0.062 177.556 177.584 -0.150 0.000 1.075 321 A CA -0.528 51.450 52.037 -0.098 0.000 0.746 321 A CB 1.495 20.321 19.000 -0.290 0.000 1.277 321 A HN 0.711 nan 8.150 nan 0.000 0.425 322 T N -0.576 113.890 114.554 -0.146 0.000 2.909 322 T HA 0.716 5.066 4.350 0.001 0.000 0.286 322 T C -0.074 174.523 174.700 -0.172 0.000 1.002 322 T CA 0.040 62.069 62.100 -0.117 0.000 1.074 322 T CB 1.511 70.331 68.868 -0.079 0.000 0.984 322 T HN 1.745 nan 8.240 nan 0.000 0.495 323 A N 3.374 126.136 122.820 -0.097 0.000 2.335 323 A HA 0.674 4.995 4.320 0.001 0.000 0.304 323 A C -0.230 177.340 177.584 -0.023 0.000 1.118 323 A CA -0.994 51.017 52.037 -0.043 0.000 0.757 323 A CB 0.702 19.780 19.000 0.130 0.000 1.188 323 A HN 0.915 nan 8.150 nan 0.000 0.460 324 L N 2.192 123.386 121.223 -0.047 0.000 2.375 324 L HA 0.720 5.060 4.340 0.001 0.000 0.271 324 L C -0.292 176.474 176.870 -0.173 0.000 1.107 324 L CA -0.614 54.171 54.840 -0.092 0.000 0.806 324 L CB 1.268 43.288 42.059 -0.065 0.000 1.146 324 L HN 0.436 nan 8.230 nan 0.000 0.447 325 V N 0.458 120.246 119.914 -0.210 0.000 3.147 325 V HA 0.188 4.308 4.120 0.001 0.000 0.306 325 V C -0.461 175.528 176.094 -0.175 0.000 1.209 325 V CA -0.684 61.436 62.300 -0.300 0.000 1.023 325 V CB 2.040 33.559 31.823 -0.506 0.000 1.059 325 V HN 0.903 nan 8.190 nan 0.000 0.435 326 E N 0.436 120.546 120.200 -0.150 0.000 2.360 326 E HA -0.237 4.113 4.350 0.001 0.000 0.238 326 E C 0.809 177.368 176.600 -0.068 0.000 1.186 326 E CA 0.742 57.086 56.400 -0.093 0.000 0.719 326 E CB -1.007 28.640 29.700 -0.089 0.000 1.236 326 E HN 0.998 nan 8.360 nan 0.000 0.386 327 T N -4.386 110.131 114.554 -0.061 0.000 3.054 327 T HA 0.411 4.761 4.350 0.001 0.000 0.255 327 T C 1.484 176.163 174.700 -0.035 0.000 1.035 327 T CA 0.515 62.587 62.100 -0.047 0.000 0.941 327 T CB 1.016 69.857 68.868 -0.046 0.000 1.026 327 T HN 0.730 nan 8.240 nan 0.000 0.533 328 G N 1.014 109.795 108.800 -0.030 0.000 2.195 328 G HA2 -0.235 3.725 3.960 0.001 0.000 0.246 328 G HA3 -0.235 3.725 3.960 0.001 0.000 0.246 328 G C 0.163 175.056 174.900 -0.013 0.000 0.984 328 G CA 0.040 45.128 45.100 -0.021 0.000 0.633 328 G HN 0.705 nan 8.290 nan 0.000 0.525 329 S N 1.020 116.714 115.700 -0.010 0.000 2.457 329 S HA 0.505 4.975 4.470 0.001 0.000 0.289 329 S C 1.218 175.827 174.600 0.014 0.000 1.163 329 S CA -0.689 57.511 58.200 0.000 0.000 1.078 329 S CB 1.784 64.983 63.200 -0.001 0.000 0.987 329 S HN 0.227 nan 8.310 nan 0.000 0.482 330 K N 2.176 122.587 120.400 0.018 0.000 2.211 330 K HA -0.121 4.199 4.320 0.001 0.000 0.204 330 K C 1.792 178.416 176.600 0.041 0.000 1.047 330 K CA 1.002 57.307 56.287 0.030 0.000 0.935 330 K CB -0.384 32.131 32.500 0.025 0.000 0.728 330 K HN 0.671 nan 8.250 nan 0.000 0.452 331 M N 0.730 120.350 119.600 0.035 0.000 3.138 331 M HA -0.360 4.120 4.480 0.001 0.000 0.280 331 M C 0.660 177.001 176.300 0.067 0.000 1.053 331 M CA 2.815 58.141 55.300 0.044 0.000 1.065 331 M CB -0.128 32.492 32.600 0.033 0.000 1.207 331 M HN 0.273 nan 8.290 nan 0.000 0.551 332 D N -2.606 117.841 120.400 0.078 0.000 4.210 332 D HA -0.283 4.358 4.640 0.001 0.000 0.189 332 D C 1.200 177.563 176.300 0.105 0.000 0.996 332 D CA 1.992 56.033 54.000 0.068 0.000 2.266 332 D CB -1.234 39.585 40.800 0.032 0.000 1.151 332 D HN 0.653 nan 8.370 nan 0.000 0.424 333 E N -0.361 119.895 120.200 0.093 0.000 2.114 333 E HA -0.140 4.211 4.350 0.001 0.000 0.199 333 E C 1.477 178.224 176.600 0.245 0.000 1.008 333 E CA 2.386 58.862 56.400 0.128 0.000 0.810 333 E CB 0.282 30.034 29.700 0.087 0.000 0.739 333 E HN 0.309 nan 8.360 nan 0.000 0.456 334 V N -2.546 117.497 119.914 0.215 0.000 3.800 334 V HA -0.089 4.031 4.120 0.001 0.000 0.186 334 V C 0.930 177.088 176.094 0.107 0.000 1.543 334 V CA 0.327 62.706 62.300 0.131 0.000 0.965 334 V CB -0.017 31.866 31.823 0.100 0.000 1.019 334 V HN 0.229 nan 8.190 nan 0.000 0.544 335 I N -0.536 120.114 120.570 0.132 0.000 4.889 335 I HA -0.488 3.682 4.170 0.001 0.000 0.039 335 I C 1.704 178.010 176.117 0.315 0.000 0.635 335 I CA 2.655 64.088 61.300 0.221 0.000 0.303 335 I CB -1.594 36.517 38.000 0.185 0.000 0.372 335 I HN 0.470 nan 8.210 nan 0.000 0.151 336 F N 1.981 122.015 119.950 0.140 0.000 2.095 336 F HA -0.206 4.321 4.527 0.000 0.000 0.298 336 F C 2.433 178.325 175.800 0.154 0.000 1.104 336 F CA 2.661 60.744 58.000 0.138 0.000 1.232 336 F CB -0.348 38.691 39.000 0.065 0.000 0.987 336 F HN 0.302 nan 8.300 nan 0.000 0.475 337 E N 0.622 120.875 120.200 0.088 0.000 2.114 337 E HA -0.280 4.070 4.350 0.001 0.000 0.199 337 E C 1.978 178.517 176.600 -0.102 0.000 1.008 337 E CA 1.714 58.102 56.400 -0.021 0.000 0.810 337 E CB -0.384 29.349 29.700 0.056 0.000 0.739 337 E HN 0.445 nan 8.360 nan 0.000 0.456 338 E N -1.857 118.303 120.200 -0.066 0.000 2.427 338 E HA 0.001 4.351 4.350 0.001 0.000 0.196 338 E C 0.920 177.310 176.600 -0.350 0.000 1.028 338 E CA 0.484 56.775 56.400 -0.183 0.000 0.864 338 E CB -0.077 29.507 29.700 -0.193 0.000 0.813 338 E HN 0.325 nan 8.360 nan 0.000 0.514 339 F N -0.085 119.742 119.950 -0.204 0.000 2.712 339 F HA 0.255 4.782 4.527 0.000 0.000 0.297 339 F C 0.776 176.396 175.800 -0.301 0.000 1.114 339 F CA -0.388 57.494 58.000 -0.196 0.000 1.305 339 F CB 0.296 39.177 39.000 -0.198 0.000 1.086 339 F HN -0.287 nan 8.300 nan 0.000 0.599 340 K N 1.024 121.171 120.400 -0.421 0.000 2.438 340 K HA 0.090 4.410 4.320 0.001 0.000 0.270 340 K C 1.113 177.630 176.600 -0.139 0.000 1.095 340 K CA 1.211 57.201 56.287 -0.495 0.000 1.174 340 K CB -0.406 31.811 32.500 -0.472 0.000 0.830 340 K HN 0.498 nan 8.250 nan 0.000 0.487 341 G N 2.441 111.222 108.800 -0.032 0.000 2.175 341 G HA2 -0.305 3.655 3.960 0.001 0.000 0.244 341 G HA3 -0.305 3.655 3.960 0.001 0.000 0.244 341 G C 0.595 175.547 174.900 0.086 0.000 0.982 341 G CA 0.596 45.722 45.100 0.042 0.000 0.641 341 G HN 0.763 nan 8.290 nan 0.000 0.527 342 T N -1.102 113.538 114.554 0.143 0.000 3.129 342 T HA 0.503 4.853 4.350 0.001 0.000 0.251 342 T C 1.362 176.205 174.700 0.238 0.000 1.117 342 T CA 1.141 63.351 62.100 0.183 0.000 1.034 342 T CB 0.621 69.622 68.868 0.222 0.000 0.968 342 T HN 1.361 nan 8.240 nan 0.000 0.526 343 G N 1.759 110.737 108.800 0.297 0.000 2.476 343 G HA2 0.417 4.378 3.960 0.001 0.000 0.286 343 G HA3 0.417 4.378 3.960 0.001 0.000 0.286 343 G C 0.348 175.323 174.900 0.125 0.000 1.177 343 G CA -0.739 44.517 45.100 0.260 0.000 0.870 343 G HN 0.396 nan 8.290 nan 0.000 0.528 344 N N -0.580 118.166 118.700 0.076 0.000 2.204 344 N HA 0.153 4.894 4.740 0.001 0.000 0.219 344 N C 0.131 175.688 175.510 0.079 0.000 1.151 344 N CA -0.250 52.838 53.050 0.063 0.000 0.867 344 N CB 0.722 39.231 38.487 0.038 0.000 1.043 344 N HN 0.388 nan 8.380 nan 0.000 0.516 345 M N 0.246 119.916 119.600 0.117 0.000 2.325 345 M HA 0.394 4.875 4.480 0.001 0.000 0.285 345 M C -2.176 174.216 176.300 0.153 0.000 1.119 345 M CA -0.005 55.368 55.300 0.123 0.000 0.959 345 M CB 2.279 34.950 32.600 0.119 0.000 1.737 345 M HN 0.158 nan 8.290 nan 0.000 0.486 346 E N 3.860 124.142 120.200 0.136 0.000 2.272 346 E HA 0.574 4.924 4.350 0.001 0.000 0.269 346 E C -2.036 174.635 176.600 0.119 0.000 0.877 346 E CA -0.663 55.819 56.400 0.138 0.000 0.755 346 E CB 2.530 32.312 29.700 0.138 0.000 1.192 346 E HN 0.773 nan 8.360 nan 0.000 0.422 347 L N 6.110 127.397 121.223 0.107 0.000 2.377 347 L HA 0.428 4.768 4.340 0.001 0.000 0.270 347 L C -1.061 175.851 176.870 0.071 0.000 0.991 347 L CA -0.694 54.197 54.840 0.087 0.000 0.851 347 L CB 1.463 43.570 42.059 0.080 0.000 1.218 347 L HN 0.474 nan 8.230 nan 0.000 0.420 348 V N 6.314 126.264 119.914 0.060 0.000 2.509 348 V HA 0.518 4.638 4.120 0.001 0.000 0.284 348 V C -0.480 175.623 176.094 0.016 0.000 1.047 348 V CA -0.390 61.935 62.300 0.042 0.000 0.952 348 V CB 1.741 33.594 31.823 0.050 0.000 0.988 348 V HN 0.687 nan 8.190 nan 0.000 0.469 349 L N 5.166 126.392 121.223 0.004 0.000 2.334 349 L HA 0.605 4.945 4.340 0.001 0.000 0.272 349 L C 0.167 177.022 176.870 -0.025 0.000 1.020 349 L CA -0.373 54.465 54.840 -0.004 0.000 0.812 349 L CB 1.966 44.031 42.059 0.011 0.000 1.264 349 L HN 0.768 nan 8.230 nan 0.000 0.439 350 S N 0.943 116.620 115.700 -0.038 0.000 2.498 350 S HA 0.302 4.772 4.470 0.001 0.000 0.317 350 S C 0.686 175.247 174.600 -0.065 0.000 1.090 350 S CA -0.687 57.480 58.200 -0.056 0.000 1.089 350 S CB 1.439 64.598 63.200 -0.068 0.000 0.997 350 S HN 0.713 nan 8.310 nan 0.000 0.470 351 R N 3.262 123.727 120.500 -0.057 0.000 2.075 351 R HA -0.124 4.216 4.340 0.001 0.000 0.232 351 R C 2.258 178.518 176.300 -0.067 0.000 1.126 351 R CA 2.157 58.225 56.100 -0.053 0.000 0.963 351 R CB -0.316 29.956 30.300 -0.047 0.000 0.858 351 R HN 0.888 nan 8.270 nan 0.000 0.435 352 Q N 0.265 120.025 119.800 -0.068 0.000 2.124 352 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 352 Q C 1.922 177.861 176.000 -0.103 0.000 0.977 352 Q CA 1.602 57.363 55.803 -0.071 0.000 0.850 352 Q CB -0.293 28.410 28.738 -0.058 0.000 0.901 352 Q HN 0.425 nan 8.270 nan 0.000 0.429 353 L N 0.315 121.462 121.223 -0.126 0.000 2.217 353 L HA -0.021 4.320 4.340 0.001 0.000 0.211 353 L C 2.572 179.253 176.870 -0.315 0.000 1.107 353 L CA 0.694 55.422 54.840 -0.188 0.000 0.783 353 L CB -0.446 41.510 42.059 -0.172 0.000 0.919 353 L HN 0.425 nan 8.230 nan 0.000 0.442 354 A N -0.124 122.532 122.820 -0.275 0.000 1.874 354 A HA -0.121 4.199 4.320 0.001 0.000 0.214 354 A C 1.687 179.153 177.584 -0.196 0.000 1.189 354 A CA 1.021 52.848 52.037 -0.349 0.000 0.615 354 A CB -0.437 18.517 19.000 -0.078 0.000 0.830 354 A HN 0.344 nan 8.150 nan 0.000 0.443 355 N N -0.022 118.617 118.700 -0.102 0.000 2.735 355 N HA -0.038 4.702 4.740 0.001 0.000 0.200 355 N C 0.744 176.211 175.510 -0.071 0.000 1.383 355 N CA 0.743 53.761 53.050 -0.054 0.000 0.939 355 N CB -0.085 38.377 38.487 -0.042 0.000 1.074 355 N HN 0.532 nan 8.380 nan 0.000 0.449 356 K N -0.385 119.933 120.400 -0.137 0.000 2.517 356 K HA 0.209 4.529 4.320 0.001 0.000 0.210 356 K C -0.334 176.202 176.600 -0.106 0.000 1.166 356 K CA -0.101 56.115 56.287 -0.119 0.000 1.030 356 K CB 0.849 33.273 32.500 -0.127 0.000 0.974 356 K HN -0.095 nan 8.250 nan 0.000 0.585 357 R N 1.473 121.915 120.500 -0.096 0.000 2.666 357 R HA 0.358 4.699 4.340 0.001 0.000 0.275 357 R C -0.678 175.425 176.300 -0.328 0.000 1.266 357 R CA -0.016 55.989 56.100 -0.160 0.000 1.401 357 R CB 0.231 30.596 30.300 0.109 0.000 1.145 357 R HN 0.014 nan 8.270 nan 0.000 0.581 358 I N 3.213 123.460 120.570 -0.538 0.000 2.312 358 I HA 0.330 4.500 4.170 0.001 0.000 0.290 358 I C -0.560 175.205 176.117 -0.587 0.000 1.008 358 I CA -0.392 60.679 61.300 -0.382 0.000 1.226 358 I CB 0.541 38.405 38.000 -0.227 0.000 1.371 358 I HN 0.208 nan 8.210 nan 0.000 0.468 359 F N 6.284 126.248 119.950 0.023 0.000 2.546 359 F HA 0.528 5.055 4.527 0.000 0.000 0.320 359 F C -1.929 173.911 175.800 0.067 0.000 1.076 359 F CA -2.422 55.594 58.000 0.027 0.000 0.928 359 F CB 1.011 40.018 39.000 0.013 0.000 1.189 359 F HN 0.291 nan 8.300 nan 0.000 0.465 360 P HA 0.166 nan 4.420 nan 0.000 0.268 360 P C -0.612 176.740 177.300 0.088 0.000 1.204 360 P CA -0.252 62.984 63.100 0.227 0.000 0.768 360 P CB 0.961 32.749 31.700 0.147 0.000 0.842 361 A N 4.651 127.509 122.820 0.062 0.000 3.074 361 A HA 0.230 4.550 4.320 0.001 0.000 0.251 361 A C 0.583 178.142 177.584 -0.042 0.000 1.695 361 A CA -0.355 51.626 52.037 -0.094 0.000 1.343 361 A CB -1.376 17.519 19.000 -0.175 0.000 1.078 361 A HN 0.512 nan 8.150 nan 0.000 0.644 362 I N 0.585 121.133 120.570 -0.037 0.000 2.365 362 I HA 0.105 4.276 4.170 0.001 0.000 0.291 362 I C 0.631 176.704 176.117 -0.074 0.000 1.004 362 I CA -0.303 60.974 61.300 -0.039 0.000 1.311 362 I CB 1.438 39.419 38.000 -0.032 0.000 1.401 362 I HN 0.555 nan 8.210 nan 0.000 0.491 363 N N 5.776 124.442 118.700 -0.056 0.000 2.558 363 N HA 0.137 4.878 4.740 0.001 0.000 0.233 363 N C 0.692 176.161 175.510 -0.069 0.000 1.038 363 N CA -0.528 52.484 53.050 -0.062 0.000 0.934 363 N CB 0.629 39.096 38.487 -0.034 0.000 1.175 363 N HN 0.516 nan 8.380 nan 0.000 0.512 364 L N 3.465 124.599 121.223 -0.148 0.000 2.141 364 L HA -0.088 4.252 4.340 0.001 0.000 0.209 364 L C 1.879 178.714 176.870 -0.059 0.000 1.094 364 L CA 0.930 55.634 54.840 -0.226 0.000 0.763 364 L CB -0.711 40.963 42.059 -0.642 0.000 0.908 364 L HN 0.673 nan 8.230 nan 0.000 0.437 365 L N -1.273 119.931 121.223 -0.032 0.000 2.083 365 L HA -0.162 4.178 4.340 0.001 0.000 0.209 365 L C 2.040 178.949 176.870 0.065 0.000 1.083 365 L CA 1.416 56.280 54.840 0.041 0.000 0.752 365 L CB -0.838 41.234 42.059 0.022 0.000 0.899 365 L HN 0.182 nan 8.230 nan 0.000 0.433 366 L N -1.750 119.500 121.223 0.045 0.000 2.591 366 L HA 0.136 4.477 4.340 0.001 0.000 0.228 366 L C 0.965 177.883 176.870 0.081 0.000 1.133 366 L CA 0.408 55.286 54.840 0.063 0.000 0.880 366 L CB -0.674 41.415 42.059 0.051 0.000 1.033 366 L HN 0.018 nan 8.230 nan 0.000 0.450 367 S N -0.897 114.854 115.700 0.085 0.000 2.578 367 S HA 0.822 5.293 4.470 0.001 0.000 0.283 367 S C 0.360 175.046 174.600 0.143 0.000 1.195 367 S CA -0.083 58.182 58.200 0.108 0.000 1.050 367 S CB 1.768 65.028 63.200 0.099 0.000 1.012 367 S HN 0.372 nan 8.310 nan 0.000 0.511 368 G N 0.288 109.169 108.800 0.134 0.000 2.322 368 G HA2 0.485 4.445 3.960 0.001 0.000 0.295 368 G HA3 0.485 4.445 3.960 0.001 0.000 0.295 368 G C -1.236 173.725 174.900 0.101 0.000 1.369 368 G CA -0.272 44.905 45.100 0.128 0.000 0.821 368 G HN 0.789 nan 8.290 nan 0.000 0.536 369 T N -0.907 113.692 114.554 0.075 0.000 2.952 369 T HA 0.660 5.010 4.350 0.001 0.000 0.305 369 T C -0.198 174.515 174.700 0.021 0.000 1.064 369 T CA -0.556 61.578 62.100 0.055 0.000 1.008 369 T CB 1.366 70.269 68.868 0.058 0.000 1.078 369 T HN 0.695 nan 8.240 nan 0.000 0.459 370 R N 2.355 122.862 120.500 0.012 0.000 2.582 370 R HA 0.521 4.862 4.340 0.001 0.000 0.271 370 R C -0.260 176.004 176.300 -0.059 0.000 1.078 370 R CA -0.612 55.470 56.100 -0.031 0.000 1.127 370 R CB 0.576 30.856 30.300 -0.033 0.000 1.038 370 R HN 0.527 nan 8.270 nan 0.000 0.500 371 R N 1.806 122.236 120.500 -0.116 0.000 2.310 371 R HA 0.049 4.389 4.340 0.001 0.000 0.316 371 R C 0.640 176.868 176.300 -0.120 0.000 1.004 371 R CA -0.424 55.595 56.100 -0.135 0.000 0.900 371 R CB 1.030 31.193 30.300 -0.229 0.000 1.152 371 R HN 0.660 nan 8.270 nan 0.000 0.513 372 E N 2.841 122.978 120.200 -0.106 0.000 2.481 372 E HA -0.129 4.221 4.350 0.001 0.000 0.195 372 E C -0.024 176.504 176.600 -0.121 0.000 1.047 372 E CA 0.712 57.053 56.400 -0.099 0.000 0.867 372 E CB 0.335 29.982 29.700 -0.090 0.000 0.858 372 E HN 0.567 nan 8.360 nan 0.000 0.513 373 E N 0.722 120.836 120.200 -0.144 0.000 2.472 373 E HA -0.076 4.275 4.350 0.001 0.000 0.200 373 E C 1.583 178.124 176.600 -0.099 0.000 1.046 373 E CA 0.301 56.618 56.400 -0.137 0.000 0.871 373 E CB -0.343 29.269 29.700 -0.148 0.000 0.806 373 E HN 0.138 nan 8.360 nan 0.000 0.533 374 L N -0.422 120.746 121.223 -0.091 0.000 2.313 374 L HA 0.040 4.380 4.340 0.001 0.000 0.214 374 L C 1.296 178.134 176.870 -0.053 0.000 1.119 374 L CA 1.121 55.921 54.840 -0.067 0.000 0.809 374 L CB -0.021 41.995 42.059 -0.070 0.000 0.933 374 L HN 0.183 nan 8.230 nan 0.000 0.449 375 L N -2.158 119.030 121.223 -0.058 0.000 2.526 375 L HA 0.219 4.559 4.340 0.001 0.000 0.210 375 L C 0.531 177.373 176.870 -0.046 0.000 1.048 375 L CA 0.587 55.402 54.840 -0.042 0.000 0.852 375 L CB -0.208 41.835 42.059 -0.027 0.000 1.128 375 L HN -0.122 nan 8.230 nan 0.000 0.482 376 L N 1.038 122.218 121.223 -0.071 0.000 2.307 376 L HA 0.266 4.606 4.340 0.001 0.000 0.282 376 L C -0.307 176.511 176.870 -0.086 0.000 1.051 376 L CA -0.993 53.799 54.840 -0.080 0.000 0.804 376 L CB 1.079 43.068 42.059 -0.116 0.000 1.197 376 L HN 0.212 nan 8.230 nan 0.000 0.431 377 D N 0.545 120.905 120.400 -0.067 0.000 2.357 377 D HA -0.060 4.580 4.640 0.001 0.000 0.242 377 D C 0.844 177.094 176.300 -0.084 0.000 1.153 377 D CA -0.365 53.597 54.000 -0.063 0.000 0.918 377 D CB 0.824 41.599 40.800 -0.041 0.000 1.181 377 D HN 0.648 nan 8.370 nan 0.000 0.435 378 E N -0.193 119.962 120.200 -0.076 0.000 2.085 378 E HA -0.334 4.017 4.350 0.001 0.000 0.194 378 E C 1.445 177.999 176.600 -0.075 0.000 0.994 378 E CA 1.269 57.617 56.400 -0.086 0.000 0.801 378 E CB 0.049 29.714 29.700 -0.058 0.000 0.743 378 E HN 0.547 nan 8.360 nan 0.000 0.453 379 E N 0.075 120.244 120.200 -0.052 0.000 2.033 379 E HA -0.178 4.173 4.350 0.001 0.000 0.199 379 E C 2.029 178.598 176.600 -0.052 0.000 1.011 379 E CA 2.303 58.679 56.400 -0.040 0.000 0.815 379 E CB -0.670 29.012 29.700 -0.030 0.000 0.755 379 E HN 0.248 nan 8.360 nan 0.000 0.451 380 T N 0.915 115.432 114.554 -0.061 0.000 2.720 380 T HA -0.147 4.203 4.350 0.001 0.000 0.268 380 T C 1.936 176.568 174.700 -0.112 0.000 1.037 380 T CA 1.303 63.360 62.100 -0.071 0.000 1.144 380 T CB -0.368 68.461 68.868 -0.065 0.000 0.864 380 T HN 0.156 nan 8.240 nan 0.000 0.444 381 L N 0.183 121.314 121.223 -0.154 0.000 2.093 381 L HA -0.032 4.309 4.340 0.001 0.000 0.208 381 L C 2.470 179.193 176.870 -0.246 0.000 1.085 381 L CA 1.521 56.205 54.840 -0.260 0.000 0.755 381 L CB -0.172 41.685 42.059 -0.337 0.000 0.904 381 L HN 0.128 nan 8.230 nan 0.000 0.435 382 K N -0.371 119.957 120.400 -0.119 0.000 2.057 382 K HA -0.174 4.146 4.320 0.001 0.000 0.206 382 K C 2.092 178.759 176.600 0.112 0.000 1.050 382 K CA 1.459 57.783 56.287 0.061 0.000 0.935 382 K CB 0.042 32.587 32.500 0.075 0.000 0.715 382 K HN 0.274 nan 8.250 nan 0.000 0.439 383 K N 0.296 120.709 120.400 0.021 0.000 2.026 383 K HA -0.104 4.216 4.320 0.001 0.000 0.208 383 K C 1.990 178.606 176.600 0.026 0.000 1.048 383 K CA 1.257 57.550 56.287 0.011 0.000 0.929 383 K CB -0.147 32.326 32.500 -0.045 0.000 0.713 383 K HN -0.069 nan 8.250 nan 0.000 0.439 384 V N 0.305 120.192 119.914 -0.044 0.000 2.490 384 V HA -0.222 3.898 4.120 0.001 0.000 0.250 384 V C 1.897 178.046 176.094 0.091 0.000 1.061 384 V CA 1.344 63.566 62.300 -0.129 0.000 1.064 384 V CB -0.508 31.107 31.823 -0.347 0.000 0.670 384 V HN 0.448 nan 8.190 nan 0.000 0.461 385 W N -0.238 121.035 121.300 -0.045 0.000 2.363 385 W HA -0.126 4.534 4.660 0.000 0.000 0.296 385 W C 2.258 178.793 176.519 0.026 0.000 1.212 385 W CA 1.495 58.841 57.345 0.001 0.000 1.260 385 W CB -0.750 28.706 29.460 -0.006 0.000 1.131 385 W HN 0.253 nan 8.180 nan 0.000 0.530 386 L N -0.251 121.118 121.223 0.243 0.000 2.044 386 L HA -0.124 4.216 4.340 0.001 0.000 0.205 386 L C 2.409 179.362 176.870 0.138 0.000 1.075 386 L CA 1.522 56.441 54.840 0.131 0.000 0.747 386 L CB -0.941 41.170 42.059 0.087 0.000 0.903 386 L HN -0.186 nan 8.230 nan 0.000 0.435 387 L N -0.575 120.751 121.223 0.172 0.000 2.051 387 L HA -0.304 4.036 4.340 0.001 0.000 0.214 387 L C 2.802 179.837 176.870 0.274 0.000 1.076 387 L CA 1.637 56.626 54.840 0.248 0.000 0.758 387 L CB -0.665 41.623 42.059 0.381 0.000 0.890 387 L HN 0.273 nan 8.230 nan 0.000 0.433 388 R N -0.333 120.350 120.500 0.304 0.000 2.070 388 R HA -0.149 4.192 4.340 0.001 0.000 0.233 388 R C 2.500 178.884 176.300 0.140 0.000 1.137 388 R CA 1.524 57.785 56.100 0.267 0.000 0.945 388 R CB -0.273 30.210 30.300 0.306 0.000 0.845 388 R HN 0.330 nan 8.270 nan 0.000 0.430 389 R N 0.529 121.081 120.500 0.088 0.000 2.081 389 R HA -0.067 4.273 4.340 0.001 0.000 0.235 389 R C 1.071 177.391 176.300 0.033 0.000 1.131 389 R CA 1.168 57.282 56.100 0.024 0.000 0.960 389 R CB -0.263 30.020 30.300 -0.027 0.000 0.856 389 R HN 0.276 nan 8.270 nan 0.000 0.436 390 M N 0.322 119.953 119.600 0.052 0.000 2.077 390 M HA 0.248 4.728 4.480 0.001 0.000 0.348 390 M C -0.248 176.089 176.300 0.062 0.000 1.252 390 M CA 0.098 55.425 55.300 0.045 0.000 1.096 390 M CB 1.834 34.459 32.600 0.042 0.000 1.568 390 M HN 0.115 nan 8.290 nan 0.000 0.456 391 L N 3.018 124.266 121.223 0.042 0.000 1.740 391 L HA -0.211 4.130 4.340 0.001 0.000 0.501 391 L C 1.600 178.484 176.870 0.024 0.000 0.737 391 L CA 2.050 56.912 54.840 0.036 0.000 2.978 391 L CB -1.346 40.754 42.059 0.068 0.000 0.863 391 L HN 0.885 nan 8.230 nan 0.000 0.703 392 S N 0.131 115.852 115.700 0.034 0.000 2.515 392 S HA 0.311 4.782 4.470 0.001 0.000 0.231 392 S C 1.282 175.888 174.600 0.010 0.000 0.987 392 S CA 0.727 58.941 58.200 0.022 0.000 0.936 392 S CB -0.178 63.037 63.200 0.024 0.000 0.766 392 S HN 0.847 nan 8.310 nan 0.000 0.528 393 A N 1.241 124.067 122.820 0.011 0.000 2.500 393 A HA 0.646 4.967 4.320 0.001 0.000 0.267 393 A C 0.529 178.115 177.584 0.003 0.000 1.290 393 A CA -0.601 51.439 52.037 0.005 0.000 0.928 393 A CB -0.329 18.673 19.000 0.004 0.000 1.066 393 A HN 0.750 nan 8.150 nan 0.000 0.516 394 M N -1.898 117.704 119.600 0.002 0.000 2.618 394 M HA 0.523 5.003 4.480 0.001 0.000 0.281 394 M C -0.030 176.265 176.300 -0.008 0.000 1.267 394 M CA -0.556 54.742 55.300 -0.002 0.000 0.845 394 M CB 0.995 33.595 32.600 -0.000 0.000 1.732 394 M HN 0.105 nan 8.290 nan 0.000 0.461 395 T N -2.167 112.380 114.554 -0.012 0.000 2.791 395 T HA 0.066 4.416 4.350 0.001 0.000 0.323 395 T C 0.751 175.435 174.700 -0.027 0.000 1.082 395 T CA 0.468 62.557 62.100 -0.019 0.000 1.084 395 T CB 0.986 69.841 68.868 -0.020 0.000 0.992 395 T HN 0.902 nan 8.240 nan 0.000 0.547 396 E N 0.103 120.283 120.200 -0.034 0.000 2.031 396 E HA -0.183 4.167 4.350 0.001 0.000 0.193 396 E C 2.128 178.695 176.600 -0.056 0.000 0.994 396 E CA 1.281 57.653 56.400 -0.047 0.000 0.800 396 E CB -0.097 29.573 29.700 -0.050 0.000 0.752 396 E HN 0.894 nan 8.360 nan 0.000 0.447 397 E N 0.359 120.528 120.200 -0.053 0.000 2.058 397 E HA -0.275 4.075 4.350 0.001 0.000 0.194 397 E C 1.971 178.545 176.600 -0.044 0.000 0.997 397 E CA 1.438 57.805 56.400 -0.055 0.000 0.801 397 E CB -0.001 29.669 29.700 -0.050 0.000 0.746 397 E HN 0.085 nan 8.360 nan 0.000 0.450 398 E N -0.040 120.141 120.200 -0.033 0.000 2.160 398 E HA -0.131 4.220 4.350 0.001 0.000 0.195 398 E C 1.377 177.961 176.600 -0.027 0.000 0.991 398 E CA 1.223 57.609 56.400 -0.024 0.000 0.810 398 E CB -0.750 28.941 29.700 -0.015 0.000 0.742 398 E HN 0.445 nan 8.360 nan 0.000 0.466 399 G N 0.510 109.288 108.800 -0.036 0.000 2.990 399 G HA2 -0.385 3.576 3.960 0.001 0.000 0.359 399 G HA3 -0.385 3.576 3.960 0.001 0.000 0.359 399 G C 1.000 175.876 174.900 -0.040 0.000 0.951 399 G CA 1.556 46.624 45.100 -0.053 0.000 0.794 399 G HN 0.471 nan 8.290 nan 0.000 0.982 400 L N -3.389 117.803 121.223 -0.052 0.000 1.309 400 L HA 0.037 4.377 4.340 0.001 0.000 0.059 400 L C 2.067 178.887 176.870 -0.083 0.000 1.564 400 L CA 1.751 56.541 54.840 -0.083 0.000 1.088 400 L CB -0.874 41.133 42.059 -0.088 0.000 2.160 400 L HN 0.807 nan 8.230 nan 0.000 0.431 401 T N 1.939 116.454 114.554 -0.065 0.000 13.084 401 T HA -0.400 3.950 4.350 0.001 0.000 0.413 401 T C 1.362 176.040 174.700 -0.036 0.000 1.448 401 T CA 2.912 64.986 62.100 -0.044 0.000 2.331 401 T CB -1.542 67.305 68.868 -0.036 0.000 2.773 401 T HN 0.419 nan 8.240 nan 0.000 0.614 402 L N 0.644 121.856 121.223 -0.019 0.000 1.989 402 L HA -0.114 4.226 4.340 0.001 0.000 0.211 402 L C 2.808 179.687 176.870 0.014 0.000 1.071 402 L CA 1.710 56.554 54.840 0.006 0.000 0.749 402 L CB -0.732 41.341 42.059 0.023 0.000 0.890 402 L HN 0.454 nan 8.230 nan 0.000 0.431 403 I N 0.024 120.595 120.570 0.002 0.000 2.252 403 I HA -0.260 3.910 4.170 0.001 0.000 0.245 403 I C 2.589 178.630 176.117 -0.126 0.000 1.102 403 I CA 1.558 62.861 61.300 0.005 0.000 1.385 403 I CB -0.816 37.171 38.000 -0.022 0.000 1.064 403 I HN 0.282 nan 8.210 nan 0.000 0.414 404 L N 0.397 121.519 121.223 -0.168 0.000 2.083 404 L HA -0.216 4.124 4.340 0.001 0.000 0.209 404 L C 2.161 178.855 176.870 -0.293 0.000 1.083 404 L CA 1.438 56.094 54.840 -0.306 0.000 0.752 404 L CB -0.768 41.170 42.059 -0.201 0.000 0.899 404 L HN 0.346 nan 8.230 nan 0.000 0.433 405 N N 0.034 118.655 118.700 -0.130 0.000 2.043 405 N HA -0.196 4.544 4.740 0.001 0.000 0.193 405 N C 1.595 177.076 175.510 -0.048 0.000 1.037 405 N CA 1.012 54.020 53.050 -0.070 0.000 0.851 405 N CB -0.050 38.427 38.487 -0.016 0.000 1.027 405 N HN 0.252 nan 8.380 nan 0.000 0.422 406 K N 0.627 121.032 120.400 0.008 0.000 2.519 406 K HA -0.058 4.262 4.320 0.001 0.000 0.196 406 K C 1.542 178.182 176.600 0.067 0.000 1.041 406 K CA 0.517 56.877 56.287 0.120 0.000 0.954 406 K CB 0.062 32.761 32.500 0.333 0.000 0.774 406 K HN 0.299 nan 8.250 nan 0.000 0.480 407 L N -1.180 119.946 121.223 -0.161 0.000 2.200 407 L HA -0.075 4.265 4.340 0.001 0.000 0.200 407 L C 1.584 178.365 176.870 -0.148 0.000 1.072 407 L CA 0.423 55.088 54.840 -0.292 0.000 0.787 407 L CB 0.149 41.839 42.059 -0.616 0.000 0.957 407 L HN 0.207 nan 8.230 nan 0.000 0.459 408 S N 0.038 115.657 115.700 -0.135 0.000 4.158 408 S HA -0.305 4.165 4.470 0.001 0.000 0.614 408 S C 0.562 175.177 174.600 0.025 0.000 1.866 408 S CA 1.144 59.271 58.200 -0.121 0.000 4.249 408 S CB -1.267 61.846 63.200 -0.144 0.000 0.202 408 S HN 0.492 nan 8.310 nan 0.000 0.455 409 E N 2.074 122.294 120.200 0.034 0.000 2.569 409 E HA 0.326 4.676 4.350 0.001 0.000 0.205 409 E C -0.339 176.307 176.600 0.078 0.000 1.006 409 E CA 0.475 56.911 56.400 0.060 0.000 0.985 409 E CB 1.201 30.933 29.700 0.055 0.000 1.060 409 E HN 0.650 nan 8.360 nan 0.000 0.460 410 T N -2.316 112.292 114.554 0.089 0.000 2.886 410 T HA 0.239 4.589 4.350 0.001 0.000 0.292 410 T C 0.765 175.525 174.700 0.099 0.000 1.012 410 T CA -0.861 61.304 62.100 0.108 0.000 0.982 410 T CB 1.717 70.689 68.868 0.172 0.000 1.018 410 T HN -0.045 nan 8.240 nan 0.000 0.451 411 S N 0.958 116.711 115.700 0.088 0.000 2.603 411 S HA 0.390 4.861 4.470 0.001 0.000 0.220 411 S C 0.678 175.324 174.600 0.078 0.000 0.967 411 S CA 0.061 58.307 58.200 0.076 0.000 0.920 411 S CB -0.801 62.435 63.200 0.059 0.000 0.773 411 S HN 1.581 nan 8.310 nan 0.000 0.529 412 S N -0.454 115.302 115.700 0.094 0.000 2.597 412 S HA 0.357 4.827 4.470 0.001 0.000 0.274 412 S C -0.135 174.543 174.600 0.130 0.000 1.132 412 S CA -0.876 57.380 58.200 0.093 0.000 0.835 412 S CB 0.012 63.258 63.200 0.077 0.000 1.092 412 S HN 0.089 nan 8.310 nan 0.000 0.457 413 N N 0.593 119.365 118.700 0.119 0.000 2.223 413 N HA -0.175 4.566 4.740 0.001 0.000 0.185 413 N C 1.683 177.324 175.510 0.218 0.000 1.016 413 N CA 1.447 54.605 53.050 0.181 0.000 0.863 413 N CB -0.188 38.373 38.487 0.122 0.000 0.983 413 N HN 0.809 nan 8.380 nan 0.000 0.429 414 E N 1.811 122.089 120.200 0.129 0.000 2.035 414 E HA -0.257 4.093 4.350 0.001 0.000 0.204 414 E C 1.622 178.276 176.600 0.090 0.000 1.025 414 E CA 1.650 58.104 56.400 0.090 0.000 0.835 414 E CB -0.055 29.683 29.700 0.064 0.000 0.764 414 E HN 0.240 nan 8.360 nan 0.000 0.457 415 E N -0.104 120.157 120.200 0.102 0.000 2.051 415 E HA -0.191 4.159 4.350 0.001 0.000 0.192 415 E C 2.110 178.774 176.600 0.107 0.000 0.991 415 E CA 1.213 57.666 56.400 0.087 0.000 0.799 415 E CB -0.682 29.071 29.700 0.088 0.000 0.748 415 E HN 0.484 nan 8.360 nan 0.000 0.449 416 F N 1.622 121.584 119.950 0.020 0.000 2.147 416 F HA -0.239 4.289 4.527 0.001 0.000 0.301 416 F C 2.118 177.928 175.800 0.016 0.000 1.084 416 F CA 1.298 59.310 58.000 0.019 0.000 1.268 416 F CB -0.127 38.888 39.000 0.025 0.000 1.009 416 F HN -0.076 nan 8.300 nan 0.000 0.486 417 L N 0.174 121.348 121.223 -0.081 0.000 2.109 417 L HA -0.158 4.182 4.340 0.001 0.000 0.207 417 L C 2.461 179.234 176.870 -0.161 0.000 1.086 417 L CA 1.115 55.837 54.840 -0.196 0.000 0.760 417 L CB -0.639 41.405 42.059 -0.025 0.000 0.910 417 L HN 0.031 nan 8.230 nan 0.000 0.437 418 K N 0.031 120.383 120.400 -0.080 0.000 2.173 418 K HA -0.193 4.127 4.320 0.001 0.000 0.207 418 K C 1.356 177.902 176.600 -0.089 0.000 1.046 418 K CA 1.164 57.415 56.287 -0.060 0.000 0.929 418 K CB -0.177 32.309 32.500 -0.023 0.000 0.720 418 K HN 0.138 nan 8.250 nan 0.000 0.453 419 L N 0.796 121.938 121.223 -0.135 0.000 2.660 419 L HA 0.156 4.497 4.340 0.001 0.000 0.238 419 L C 0.620 177.387 176.870 -0.171 0.000 1.161 419 L CA 0.795 55.556 54.840 -0.132 0.000 0.937 419 L CB -0.551 41.437 42.059 -0.117 0.000 1.122 419 L HN 0.085 nan 8.230 nan 0.000 0.435 420 I N 0.000 120.461 120.570 -0.182 0.000 2.984 420 I HA 0.000 4.170 4.170 0.001 0.000 0.288 420 I CA 0.000 61.210 61.300 -0.149 0.000 1.566 420 I CB 0.000 37.881 38.000 -0.199 0.000 1.214 420 I HN 0.000 nan 8.210 nan 0.000 0.494