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 1psc_1_A DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIKVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLR 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.276 176.300 -0.040 0.000 2.045 35 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 35 D CB 0.000 40.782 40.800 -0.030 0.000 0.688 36 R N -0.444 120.028 120.500 -0.047 0.000 2.740 36 R HA 0.822 5.162 4.340 0.001 0.000 0.282 36 R C -1.211 175.049 176.300 -0.067 0.000 0.969 36 R CA -0.481 55.585 56.100 -0.057 0.000 0.918 36 R CB 2.782 33.050 30.300 -0.054 0.000 1.175 36 R HN 0.372 nan 8.270 nan 0.000 0.464 37 I N 1.742 122.264 120.570 -0.079 0.000 2.441 37 I HA 0.271 4.442 4.170 0.001 0.000 0.295 37 I C -0.458 175.605 176.117 -0.090 0.000 0.994 37 I CA -1.011 60.237 61.300 -0.087 0.000 1.144 37 I CB 1.816 39.763 38.000 -0.088 0.000 1.314 37 I HN 0.383 nan 8.210 nan 0.000 0.445 38 N N 4.290 122.940 118.700 -0.082 0.000 2.458 38 N HA 0.258 4.998 4.740 0.001 0.000 0.270 38 N C -0.188 175.281 175.510 -0.068 0.000 1.102 38 N CA -0.034 52.972 53.050 -0.073 0.000 0.967 38 N CB 1.367 39.814 38.487 -0.066 0.000 1.078 38 N HN 0.698 nan 8.380 nan 0.000 0.471 39 T N -3.088 111.429 114.554 -0.061 0.000 2.910 39 T HA 0.315 4.666 4.350 0.001 0.000 0.287 39 T C 1.353 176.042 174.700 -0.018 0.000 1.050 39 T CA -0.822 61.256 62.100 -0.037 0.000 1.011 39 T CB 0.840 69.687 68.868 -0.035 0.000 1.195 39 T HN 0.112 nan 8.240 nan 0.000 0.540 40 V N -0.772 119.143 119.914 0.003 0.000 3.078 40 V HA 0.177 4.298 4.120 0.001 0.000 0.265 40 V C 1.800 177.898 176.094 0.007 0.000 1.122 40 V CA 0.869 63.172 62.300 0.004 0.000 1.141 40 V CB -1.197 30.632 31.823 0.010 0.000 0.735 40 V HN 0.837 nan 8.190 nan 0.000 0.498 41 R N 0.730 121.242 120.500 0.020 0.000 2.432 41 R HA 0.540 4.880 4.340 0.001 0.000 0.260 41 R C 0.876 177.178 176.300 0.003 0.000 0.935 41 R CA 0.515 56.627 56.100 0.021 0.000 1.080 41 R CB 0.804 31.134 30.300 0.051 0.000 1.155 41 R HN 0.726 nan 8.270 nan 0.000 0.531 42 G N 1.464 110.254 108.800 -0.015 0.000 2.331 42 G HA2 -0.136 3.825 3.960 0.001 0.000 0.479 42 G HA3 -0.136 3.825 3.960 0.001 0.000 0.479 42 G C -3.097 171.772 174.900 -0.053 0.000 1.262 42 G CA -1.232 43.849 45.100 -0.032 0.000 1.029 42 G HN -0.129 nan 8.290 nan 0.000 0.487 43 P HA 0.630 nan 4.420 nan 0.000 0.282 43 P C -0.104 177.140 177.300 -0.094 0.000 1.249 43 P CA -0.300 62.757 63.100 -0.073 0.000 0.806 43 P CB 1.111 32.776 31.700 -0.058 0.000 0.984 44 I N -1.629 118.864 120.570 -0.128 0.000 3.042 44 I HA 0.663 4.834 4.170 0.001 0.000 0.310 44 I C -0.044 176.007 176.117 -0.109 0.000 1.117 44 I CA -1.063 60.145 61.300 -0.155 0.000 1.003 44 I CB 2.346 40.150 38.000 -0.327 0.000 1.228 44 I HN 0.245 nan 8.210 nan 0.000 0.443 45 T N 0.557 115.062 114.554 -0.082 0.000 2.874 45 T HA 0.373 4.724 4.350 0.001 0.000 0.281 45 T C 1.345 176.014 174.700 -0.052 0.000 0.994 45 T CA -0.768 61.300 62.100 -0.054 0.000 1.015 45 T CB 1.167 70.016 68.868 -0.031 0.000 1.028 45 T HN 0.520 nan 8.240 nan 0.000 0.523 46 I N 1.681 122.230 120.570 -0.036 0.000 2.208 46 I HA -0.197 3.974 4.170 0.001 0.000 0.245 46 I C 2.920 179.033 176.117 -0.006 0.000 1.097 46 I CA 2.023 63.309 61.300 -0.023 0.000 1.363 46 I CB -2.152 35.838 38.000 -0.017 0.000 1.051 46 I HN 0.932 nan 8.210 nan 0.000 0.413 47 S N 1.009 116.708 115.700 -0.002 0.000 2.399 47 S HA -0.198 4.272 4.470 0.001 0.000 0.231 47 S C 1.689 176.306 174.600 0.029 0.000 1.022 47 S CA 1.162 59.370 58.200 0.013 0.000 0.983 47 S CB -0.664 62.543 63.200 0.011 0.000 0.803 47 S HN 0.570 nan 8.310 nan 0.000 0.480 48 E N 1.515 121.727 120.200 0.019 0.000 2.338 48 E HA 0.079 4.429 4.350 0.001 0.000 0.197 48 E C 2.259 178.913 176.600 0.090 0.000 1.007 48 E CA 0.631 57.063 56.400 0.053 0.000 0.849 48 E CB -0.361 29.346 29.700 0.011 0.000 0.774 48 E HN 0.758 nan 8.360 nan 0.000 0.506 49 A N 1.509 124.359 122.820 0.050 0.000 1.902 49 A HA 0.042 4.363 4.320 0.001 0.000 0.217 49 A C 1.638 179.317 177.584 0.158 0.000 1.181 49 A CA 1.339 53.436 52.037 0.100 0.000 0.623 49 A CB -1.016 18.015 19.000 0.053 0.000 0.818 49 A HN 0.350 nan 8.150 nan 0.000 0.443 50 G N -1.231 107.644 108.800 0.124 0.000 2.578 50 G HA2 -0.243 3.717 3.960 0.001 0.000 0.275 50 G HA3 -0.243 3.717 3.960 0.001 0.000 0.275 50 G C 0.017 175.037 174.900 0.200 0.000 1.271 50 G CA 0.093 45.279 45.100 0.144 0.000 0.941 50 G HN 1.149 nan 8.290 nan 0.000 0.564 51 F N 2.940 122.917 119.950 0.044 0.000 2.557 51 F HA 0.499 5.026 4.527 0.001 0.000 0.384 51 F C 0.878 176.710 175.800 0.052 0.000 1.057 51 F CA 0.395 58.420 58.000 0.041 0.000 1.169 51 F CB -0.101 38.917 39.000 0.030 0.000 1.070 51 F HN 0.468 nan 8.300 nan 0.000 0.554 52 T N 7.906 122.759 114.554 0.498 0.000 2.824 52 T HA 0.458 4.809 4.350 0.001 0.000 0.282 52 T C -0.239 174.665 174.700 0.341 0.000 0.993 52 T CA -0.653 61.648 62.100 0.336 0.000 0.967 52 T CB 1.257 70.240 68.868 0.192 0.000 0.960 52 T HN 0.386 nan 8.240 nan 0.000 0.441 53 L N 3.599 124.979 121.223 0.262 0.000 2.261 53 L HA 0.278 4.619 4.340 0.001 0.000 0.289 53 L C 1.831 178.796 176.870 0.157 0.000 1.059 53 L CA -0.512 54.459 54.840 0.218 0.000 0.816 53 L CB 0.951 43.110 42.059 0.167 0.000 1.191 53 L HN 0.887 nan 8.230 nan 0.000 0.431 54 T N -1.750 112.893 114.554 0.148 0.000 3.113 54 T HA -0.071 4.280 4.350 0.001 0.000 0.256 54 T C 0.517 175.297 174.700 0.133 0.000 1.131 54 T CA 0.505 62.685 62.100 0.133 0.000 1.074 54 T CB -0.274 68.665 68.868 0.118 0.000 0.944 54 T HN 0.626 nan 8.240 nan 0.000 0.516 55 H N 0.390 119.467 119.070 0.011 0.000 3.162 55 H HA 0.461 5.018 4.556 0.001 0.000 0.309 55 H C -1.054 174.232 175.328 -0.070 0.000 1.156 55 H CA -0.588 55.431 56.048 -0.048 0.000 1.586 55 H CB 0.630 30.374 29.762 -0.031 0.000 1.740 55 H HN 0.049 nan 8.280 nan 0.000 0.525 56 E N 2.459 122.596 120.200 -0.105 0.000 2.442 56 E HA 0.368 4.718 4.350 0.001 0.000 0.271 56 E C -0.967 175.369 176.600 -0.440 0.000 1.002 56 E CA -0.911 55.441 56.400 -0.080 0.000 0.864 56 E CB 2.181 31.900 29.700 0.031 0.000 1.573 56 E HN 0.592 nan 8.360 nan 0.000 0.456 57 H N 0.037 119.077 119.070 -0.051 0.000 3.012 57 H HA 0.315 4.872 4.556 0.001 0.000 0.367 57 H C 0.778 176.061 175.328 -0.074 0.000 1.211 57 H CA -0.551 55.430 56.048 -0.111 0.000 1.139 57 H CB 1.751 31.383 29.762 -0.216 0.000 1.838 57 H HN 0.258 nan 8.280 nan 0.000 0.550 58 I N 0.274 120.919 120.570 0.126 0.000 2.429 58 I HA -0.036 4.134 4.170 0.001 0.000 0.247 58 I C 1.163 177.364 176.117 0.140 0.000 1.099 58 I CA 1.009 62.452 61.300 0.238 0.000 1.422 58 I CB 0.067 38.170 38.000 0.172 0.000 1.112 58 I HN 0.352 nan 8.210 nan 0.000 0.430 59 C N 0.545 119.849 119.300 0.008 0.000 2.609 59 C HA 0.764 5.224 4.460 0.001 0.000 0.313 59 C C 0.255 175.133 174.990 -0.186 0.000 1.175 59 C CA -0.543 58.417 59.018 -0.097 0.000 1.434 59 C CB 0.774 28.406 27.740 -0.179 0.000 2.005 59 C HN 0.521 nan 8.230 nan 0.000 0.471 60 G N 3.511 112.152 108.800 -0.265 0.000 2.468 60 G HA2 0.555 4.516 3.960 0.001 0.000 0.320 60 G HA3 0.555 4.516 3.960 0.001 0.000 0.320 60 G C -0.228 174.615 174.900 -0.096 0.000 1.137 60 G CA 0.227 45.076 45.100 -0.419 0.000 0.984 60 G HN 1.007 nan 8.290 nan 0.000 0.462 61 S N 1.280 116.898 115.700 -0.137 0.000 3.952 61 S HA 0.849 5.320 4.470 0.001 0.000 0.293 61 S C -0.219 174.301 174.600 -0.134 0.000 1.090 61 S CA -0.346 57.814 58.200 -0.067 0.000 1.264 61 S CB 1.207 64.470 63.200 0.105 0.000 1.393 61 S HN 0.567 nan 8.310 nan 0.000 0.757 62 S N 0.420 116.070 115.700 -0.084 0.000 2.564 62 S HA 0.761 5.231 4.470 0.001 0.000 0.274 62 S C -0.790 173.796 174.600 -0.024 0.000 1.124 62 S CA -0.220 57.948 58.200 -0.052 0.000 0.869 62 S CB 1.465 64.640 63.200 -0.042 0.000 1.105 62 S HN 1.077 nan 8.310 nan 0.000 0.472 63 A N 0.773 123.486 122.820 -0.177 0.000 2.584 63 A HA 0.448 4.769 4.320 0.001 0.000 0.239 63 A C 1.589 179.133 177.584 -0.068 0.000 1.043 63 A CA 0.839 52.678 52.037 -0.331 0.000 0.756 63 A CB -1.262 17.258 19.000 -0.800 0.000 0.963 63 A HN 2.108 nan 8.150 nan 0.000 0.511 64 G N 1.521 110.316 108.800 -0.009 0.000 2.257 64 G HA2 -0.394 3.567 3.960 0.001 0.000 0.267 64 G HA3 -0.394 3.567 3.960 0.001 0.000 0.267 64 G C 0.872 175.860 174.900 0.146 0.000 0.984 64 G CA 1.157 46.302 45.100 0.075 0.000 0.626 64 G HN 1.307 nan 8.290 nan 0.000 0.540 65 F N 0.669 120.653 119.950 0.056 0.000 2.102 65 F HA 0.161 4.688 4.527 0.001 0.000 0.298 65 F C 2.456 178.386 175.800 0.217 0.000 1.105 65 F CA 2.138 60.216 58.000 0.130 0.000 1.239 65 F CB -0.268 38.790 39.000 0.097 0.000 0.991 65 F HN 0.214 nan 8.300 nan 0.000 0.474 66 L N 0.781 122.232 121.223 0.379 0.000 2.042 66 L HA -0.198 4.142 4.340 0.001 0.000 0.210 66 L C 2.364 179.324 176.870 0.149 0.000 1.076 66 L CA 1.867 56.881 54.840 0.289 0.000 0.749 66 L CB -0.695 41.459 42.059 0.157 0.000 0.893 66 L HN 0.053 nan 8.230 nan 0.000 0.432 67 R N -1.293 119.268 120.500 0.102 0.000 2.119 67 R HA 0.074 4.414 4.340 0.001 0.000 0.222 67 R C 2.169 178.496 176.300 0.045 0.000 1.088 67 R CA 0.992 57.133 56.100 0.070 0.000 0.984 67 R CB -0.336 30.001 30.300 0.061 0.000 0.884 67 R HN 0.493 nan 8.270 nan 0.000 0.447 68 A N -0.797 122.029 122.820 0.009 0.000 1.975 68 A HA -0.065 4.256 4.320 0.001 0.000 0.215 68 A C 0.512 178.081 177.584 -0.025 0.000 1.170 68 A CA 0.494 52.509 52.037 -0.036 0.000 0.656 68 A CB 0.075 19.032 19.000 -0.072 0.000 0.821 68 A HN 0.438 nan 8.150 nan 0.000 0.449 69 W N 0.922 122.015 121.300 -0.345 0.000 1.485 69 W HA 0.379 5.039 4.660 0.001 0.000 0.305 69 W C -2.558 173.896 176.519 -0.108 0.000 0.879 69 W CA -2.351 54.800 57.345 -0.325 0.000 1.822 69 W CB 0.940 29.971 29.460 -0.714 0.000 1.990 69 W HN 0.142 nan 8.180 nan 0.000 0.441 70 P HA -0.207 nan 4.420 nan 0.000 0.219 70 P C 0.874 178.354 177.300 0.300 0.000 1.146 70 P CA 1.831 65.120 63.100 0.314 0.000 0.808 70 P CB 0.455 32.278 31.700 0.205 0.000 0.779 71 E N -0.953 119.390 120.200 0.238 0.000 2.333 71 E HA -0.124 4.226 4.350 0.001 0.000 0.198 71 E C 1.590 178.159 176.600 -0.051 0.000 1.007 71 E CA 0.496 56.982 56.400 0.143 0.000 0.845 71 E CB -1.279 28.542 29.700 0.202 0.000 0.766 71 E HN 0.288 nan 8.360 nan 0.000 0.507 72 F N -0.257 119.398 119.950 -0.492 0.000 2.333 72 F HA -0.103 4.424 4.527 0.001 0.000 0.300 72 F C 0.774 176.217 175.800 -0.595 0.000 1.083 72 F CA 0.973 58.460 58.000 -0.855 0.000 1.395 72 F CB 0.121 38.359 39.000 -1.269 0.000 1.056 72 F HN -0.049 nan 8.300 nan 0.000 0.529 73 F N -0.050 119.900 119.950 0.000 0.000 2.647 73 F HA 0.407 4.934 4.527 0.001 0.000 0.300 73 F C 1.542 177.318 175.800 -0.040 0.000 1.106 73 F CA 0.386 58.383 58.000 -0.006 0.000 1.313 73 F CB 0.295 39.374 39.000 0.131 0.000 1.007 73 F HN 0.134 nan 8.300 nan 0.000 0.536 74 G N 0.589 109.415 108.800 0.044 0.000 4.165 74 G HA2 -0.221 3.740 3.960 0.001 0.000 0.211 74 G HA3 -0.221 3.740 3.960 0.001 0.000 0.211 74 G C 0.247 175.197 174.900 0.084 0.000 1.469 74 G CA 0.088 45.212 45.100 0.039 0.000 0.964 74 G HN 0.900 nan 8.290 nan 0.000 0.613 75 S N -1.275 114.501 115.700 0.127 0.000 2.611 75 S HA 0.647 5.117 4.470 0.001 0.000 0.270 75 S C 0.362 175.036 174.600 0.123 0.000 1.131 75 S CA 0.658 58.930 58.200 0.120 0.000 0.826 75 S CB 1.461 64.707 63.200 0.076 0.000 1.095 75 S HN 0.980 nan 8.310 nan 0.000 0.461 76 R N 0.855 121.414 120.500 0.098 0.000 2.092 76 R HA 0.005 4.346 4.340 0.001 0.000 0.231 76 R C 1.943 178.258 176.300 0.025 0.000 1.119 76 R CA 1.323 57.457 56.100 0.057 0.000 0.970 76 R CB -0.320 30.010 30.300 0.049 0.000 0.864 76 R HN 0.684 nan 8.270 nan 0.000 0.440 77 K N 0.118 120.536 120.400 0.030 0.000 2.026 77 K HA -0.101 4.219 4.320 0.001 0.000 0.208 77 K C 1.930 178.534 176.600 0.007 0.000 1.048 77 K CA 1.395 57.689 56.287 0.012 0.000 0.929 77 K CB -0.153 32.357 32.500 0.017 0.000 0.713 77 K HN 0.239 nan 8.250 nan 0.000 0.439 78 A N 1.433 124.268 122.820 0.026 0.000 1.933 78 A HA -0.176 4.144 4.320 0.001 0.000 0.218 78 A C 2.075 179.670 177.584 0.019 0.000 1.175 78 A CA 1.347 53.400 52.037 0.025 0.000 0.628 78 A CB -0.536 18.492 19.000 0.046 0.000 0.814 78 A HN 0.359 nan 8.150 nan 0.000 0.444 79 L N -0.294 120.945 121.223 0.028 0.000 2.046 79 L HA -0.026 4.315 4.340 0.001 0.000 0.208 79 L C 2.612 179.452 176.870 -0.050 0.000 1.077 79 L CA 2.268 57.110 54.840 0.003 0.000 0.747 79 L CB -0.796 41.228 42.059 -0.057 0.000 0.896 79 L HN 0.315 nan 8.230 nan 0.000 0.432 80 A N -0.594 122.195 122.820 -0.053 0.000 1.877 80 A HA -0.233 4.088 4.320 0.001 0.000 0.216 80 A C 2.169 179.689 177.584 -0.106 0.000 1.186 80 A CA 1.911 53.902 52.037 -0.077 0.000 0.620 80 A CB -0.720 18.250 19.000 -0.049 0.000 0.822 80 A HN 0.636 nan 8.150 nan 0.000 0.443 81 E N -0.530 119.624 120.200 -0.076 0.000 2.077 81 E HA -0.222 4.129 4.350 0.001 0.000 0.193 81 E C 2.111 178.636 176.600 -0.124 0.000 0.989 81 E CA 1.353 57.704 56.400 -0.083 0.000 0.800 81 E CB -0.165 29.508 29.700 -0.045 0.000 0.746 81 E HN 0.661 nan 8.360 nan 0.000 0.452 82 K N 0.798 121.128 120.400 -0.116 0.000 2.063 82 K HA -0.167 4.153 4.320 0.001 0.000 0.208 82 K C 2.147 178.485 176.600 -0.437 0.000 1.048 82 K CA 1.249 57.449 56.287 -0.144 0.000 0.928 82 K CB -0.104 32.384 32.500 -0.021 0.000 0.713 82 K HN 0.074 nan 8.250 nan 0.000 0.442 83 A N 0.504 122.966 122.820 -0.596 0.000 1.902 83 A HA -0.095 4.226 4.320 0.001 0.000 0.217 83 A C 2.218 179.386 177.584 -0.693 0.000 1.181 83 A CA 1.509 52.855 52.037 -1.152 0.000 0.623 83 A CB -0.533 18.132 19.000 -0.559 0.000 0.818 83 A HN 0.177 nan 8.150 nan 0.000 0.443 84 V N 0.110 119.811 119.914 -0.355 0.000 2.295 84 V HA -0.268 3.853 4.120 0.001 0.000 0.246 84 V C 2.644 178.623 176.094 -0.191 0.000 1.049 84 V CA 2.217 64.388 62.300 -0.216 0.000 1.024 84 V CB -0.823 30.918 31.823 -0.137 0.000 0.648 84 V HN 0.530 nan 8.190 nan 0.000 0.447 85 R N 0.183 120.571 120.500 -0.186 0.000 2.083 85 R HA -0.124 4.217 4.340 0.001 0.000 0.237 85 R C 2.495 178.729 176.300 -0.110 0.000 1.137 85 R CA 1.577 57.605 56.100 -0.120 0.000 0.951 85 R CB -0.944 29.306 30.300 -0.084 0.000 0.851 85 R HN 0.588 nan 8.270 nan 0.000 0.434 86 G N 1.198 109.887 108.800 -0.185 0.000 2.418 86 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 86 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 86 G C 1.468 176.391 174.900 0.038 0.000 1.158 86 G CA 0.445 45.539 45.100 -0.009 0.000 0.771 86 G HN 0.118 nan 8.290 nan 0.000 0.545 87 L N -0.360 120.822 121.223 -0.069 0.000 2.056 87 L HA -0.005 4.336 4.340 0.001 0.000 0.207 87 L C 3.179 180.026 176.870 -0.039 0.000 1.078 87 L CA 0.815 55.650 54.840 -0.008 0.000 0.749 87 L CB -0.348 41.688 42.059 -0.039 0.000 0.901 87 L HN 0.171 nan 8.230 nan 0.000 0.433 88 R N -0.095 120.368 120.500 -0.063 0.000 2.096 88 R HA -0.139 4.202 4.340 0.001 0.000 0.235 88 R C 2.403 178.672 176.300 -0.051 0.000 1.127 88 R CA 1.138 57.203 56.100 -0.059 0.000 0.968 88 R CB -0.245 30.019 30.300 -0.060 0.000 0.861 88 R HN 0.375 nan 8.270 nan 0.000 0.440 89 R N 0.236 120.712 120.500 -0.039 0.000 2.075 89 R HA -0.037 4.304 4.340 0.001 0.000 0.232 89 R C 2.327 178.595 176.300 -0.053 0.000 1.126 89 R CA 1.302 57.379 56.100 -0.038 0.000 0.963 89 R CB -0.287 30.001 30.300 -0.020 0.000 0.858 89 R HN 0.188 nan 8.270 nan 0.000 0.435 90 A N 1.169 123.962 122.820 -0.045 0.000 1.930 90 A HA -0.160 4.161 4.320 0.001 0.000 0.217 90 A C 2.126 179.630 177.584 -0.133 0.000 1.175 90 A CA 1.160 53.144 52.037 -0.088 0.000 0.627 90 A CB -0.421 18.550 19.000 -0.049 0.000 0.815 90 A HN 0.214 nan 8.150 nan 0.000 0.443 91 R N -0.251 120.190 120.500 -0.098 0.000 2.081 91 R HA -0.107 4.233 4.340 0.001 0.000 0.235 91 R C 2.233 178.475 176.300 -0.096 0.000 1.131 91 R CA 1.408 57.445 56.100 -0.105 0.000 0.960 91 R CB -0.407 29.843 30.300 -0.083 0.000 0.856 91 R HN 0.424 nan 8.270 nan 0.000 0.436 92 A N 0.565 123.337 122.820 -0.079 0.000 1.978 92 A HA -0.098 4.222 4.320 0.001 0.000 0.220 92 A C 2.161 179.701 177.584 -0.072 0.000 1.170 92 A CA 1.674 53.672 52.037 -0.064 0.000 0.636 92 A CB -0.552 18.417 19.000 -0.053 0.000 0.810 92 A HN 0.522 nan 8.150 nan 0.000 0.448 93 A N -2.313 120.446 122.820 -0.102 0.000 2.238 93 A HA 0.423 4.744 4.320 0.001 0.000 0.208 93 A C 1.705 179.201 177.584 -0.147 0.000 1.177 93 A CA 1.272 53.240 52.037 -0.115 0.000 0.804 93 A CB -0.625 18.296 19.000 -0.132 0.000 0.823 93 A HN 1.784 nan 8.150 nan 0.000 0.482 94 G N -2.051 106.653 108.800 -0.160 0.000 2.229 94 G HA2 -0.166 3.795 3.960 0.001 0.000 0.189 94 G HA3 -0.166 3.795 3.960 0.001 0.000 0.189 94 G C 0.151 174.886 174.900 -0.274 0.000 1.000 94 G CA -0.099 44.919 45.100 -0.138 0.000 0.663 94 G HN 0.646 nan 8.290 nan 0.000 0.493 95 V N 1.467 121.107 119.914 -0.458 0.000 2.485 95 V HA 0.316 4.436 4.120 0.001 0.000 0.287 95 V C 1.589 177.590 176.094 -0.154 0.000 1.022 95 V CA 0.929 62.952 62.300 -0.462 0.000 1.067 95 V CB 1.150 32.730 31.823 -0.404 0.000 0.967 95 V HN 0.434 nan 8.190 nan 0.000 0.479 96 R N 1.955 122.443 120.500 -0.021 0.000 2.250 96 R HA 0.199 4.539 4.340 0.001 0.000 0.194 96 R C 0.078 176.407 176.300 0.048 0.000 0.927 96 R CA 0.385 56.491 56.100 0.009 0.000 1.052 96 R CB 0.711 31.062 30.300 0.085 0.000 1.055 96 R HN 0.731 nan 8.270 nan 0.000 0.537 97 T N 1.178 115.802 114.554 0.117 0.000 2.912 97 T HA 0.483 4.834 4.350 0.001 0.000 0.299 97 T C -0.748 174.026 174.700 0.122 0.000 1.052 97 T CA -0.676 61.517 62.100 0.154 0.000 0.996 97 T CB 2.297 71.283 68.868 0.197 0.000 1.070 97 T HN 0.163 nan 8.240 nan 0.000 0.465 98 I N -0.768 119.863 120.570 0.103 0.000 2.646 98 I HA 0.871 5.042 4.170 0.001 0.000 0.299 98 I C -1.183 174.970 176.117 0.061 0.000 1.036 98 I CA -1.270 60.082 61.300 0.086 0.000 1.074 98 I CB 1.894 39.942 38.000 0.081 0.000 1.258 98 I HN 0.298 nan 8.210 nan 0.000 0.430 99 V N 4.250 124.188 119.914 0.040 0.000 2.333 99 V HA 0.247 4.368 4.120 0.001 0.000 0.274 99 V C -0.368 175.675 176.094 -0.085 0.000 1.028 99 V CA -0.206 62.089 62.300 -0.008 0.000 0.851 99 V CB 0.884 32.714 31.823 0.011 0.000 1.000 99 V HN 0.746 nan 8.190 nan 0.000 0.456 100 D N 4.467 124.810 120.400 -0.094 0.000 2.380 100 D HA 0.123 4.764 4.640 0.001 0.000 0.230 100 D C 0.807 176.969 176.300 -0.230 0.000 1.154 100 D CA -0.355 53.547 54.000 -0.163 0.000 0.859 100 D CB 1.896 42.655 40.800 -0.067 0.000 1.045 100 D HN 0.441 nan 8.370 nan 0.000 0.495 101 V N 1.736 121.390 119.914 -0.433 0.000 3.544 101 V HA 0.195 4.316 4.120 0.001 0.000 0.304 101 V C 0.371 176.303 176.094 -0.269 0.000 1.256 101 V CA -0.467 61.586 62.300 -0.412 0.000 1.232 101 V CB -0.985 30.461 31.823 -0.628 0.000 1.065 101 V HN 0.306 nan 8.190 nan 0.000 0.423 102 S N 2.637 118.250 115.700 -0.145 0.000 2.481 102 S HA 0.418 4.889 4.470 0.001 0.000 0.276 102 S C 0.803 175.365 174.600 -0.065 0.000 1.247 102 S CA 0.223 58.388 58.200 -0.059 0.000 1.053 102 S CB 0.697 63.892 63.200 -0.009 0.000 0.925 102 S HN 0.884 nan 8.310 nan 0.000 0.491 103 T N 0.500 115.017 114.554 -0.061 0.000 2.849 103 T HA 0.408 4.758 4.350 0.001 0.000 0.276 103 T C 0.957 175.745 174.700 0.147 0.000 0.971 103 T CA -0.833 61.309 62.100 0.070 0.000 0.949 103 T CB 0.183 69.133 68.868 0.136 0.000 1.093 103 T HN 0.375 nan 8.240 nan 0.000 0.545 104 F N 2.034 122.077 119.950 0.154 0.000 2.087 104 F HA -0.201 4.327 4.527 0.001 0.000 0.299 104 F C 2.076 177.959 175.800 0.137 0.000 1.100 104 F CA 2.443 60.556 58.000 0.188 0.000 1.226 104 F CB -0.500 38.699 39.000 0.331 0.000 0.983 104 F HN 0.743 nan 8.300 nan 0.000 0.479 105 D N 0.080 120.557 120.400 0.129 0.000 2.371 105 D HA -0.147 4.494 4.640 0.001 0.000 0.221 105 D C 1.857 178.141 176.300 -0.028 0.000 0.986 105 D CA 0.921 54.943 54.000 0.037 0.000 0.899 105 D CB -0.858 40.119 40.800 0.296 0.000 0.902 105 D HN 0.499 nan 8.370 nan 0.000 0.530 106 I N 0.025 120.502 120.570 -0.156 0.000 3.793 106 I HA 0.146 4.317 4.170 0.001 0.000 0.315 106 I C 1.433 177.413 176.117 -0.228 0.000 1.275 106 I CA 0.412 61.490 61.300 -0.369 0.000 1.214 106 I CB -0.019 37.633 38.000 -0.580 0.000 1.018 106 I HN 0.171 nan 8.210 nan 0.000 0.439 107 G N 2.215 110.911 108.800 -0.172 0.000 2.143 107 G HA2 -0.318 3.642 3.960 0.001 0.000 0.248 107 G HA3 -0.318 3.642 3.960 0.001 0.000 0.248 107 G C 0.531 175.393 174.900 -0.064 0.000 0.991 107 G CA -0.102 44.930 45.100 -0.113 0.000 0.689 107 G HN 0.462 nan 8.290 nan 0.000 0.522 108 R N 0.595 121.063 120.500 -0.054 0.000 2.481 108 R HA 0.137 4.478 4.340 0.001 0.000 0.291 108 R C -0.964 175.349 176.300 0.022 0.000 0.934 108 R CA 0.831 56.927 56.100 -0.007 0.000 1.116 108 R CB 0.198 30.517 30.300 0.032 0.000 0.895 108 R HN 0.152 nan 8.270 nan 0.000 0.410 109 D N 4.982 125.392 120.400 0.016 0.000 2.446 109 D HA 0.027 4.668 4.640 0.001 0.000 0.251 109 D C 0.691 177.008 176.300 0.027 0.000 1.137 109 D CA -0.383 53.635 54.000 0.030 0.000 0.890 109 D CB 1.649 42.459 40.800 0.018 0.000 1.071 109 D HN 0.343 nan 8.370 nan 0.000 0.528 110 V N 3.755 123.693 119.914 0.040 0.000 2.594 110 V HA -0.196 3.924 4.120 0.001 0.000 0.253 110 V C 2.106 178.213 176.094 0.021 0.000 1.069 110 V CA 2.818 65.136 62.300 0.029 0.000 1.082 110 V CB -0.284 31.560 31.823 0.035 0.000 0.680 110 V HN 0.656 nan 8.190 nan 0.000 0.469 111 S N -0.193 115.522 115.700 0.025 0.000 2.383 111 S HA -0.202 4.269 4.470 0.001 0.000 0.227 111 S C 1.976 176.581 174.600 0.009 0.000 1.026 111 S CA 1.803 60.013 58.200 0.018 0.000 0.981 111 S CB -0.604 62.610 63.200 0.023 0.000 0.818 111 S HN 0.555 nan 8.310 nan 0.000 0.472 112 L N 1.330 122.557 121.223 0.007 0.000 2.056 112 L HA 0.143 4.483 4.340 0.001 0.000 0.207 112 L C 2.339 179.207 176.870 -0.004 0.000 1.078 112 L CA 1.537 56.374 54.840 -0.005 0.000 0.749 112 L CB -0.542 41.507 42.059 -0.017 0.000 0.901 112 L HN 0.370 nan 8.230 nan 0.000 0.433 113 L N -0.576 120.650 121.223 0.005 0.000 2.046 113 L HA -0.163 4.178 4.340 0.001 0.000 0.208 113 L C 2.738 179.613 176.870 0.007 0.000 1.077 113 L CA 1.181 56.026 54.840 0.010 0.000 0.747 113 L CB -1.175 40.892 42.059 0.013 0.000 0.896 113 L HN 0.379 nan 8.230 nan 0.000 0.432 114 A N 0.001 122.825 122.820 0.007 0.000 1.908 114 A HA -0.267 4.053 4.320 0.001 0.000 0.218 114 A C 2.300 179.884 177.584 0.000 0.000 1.181 114 A CA 1.967 54.008 52.037 0.006 0.000 0.627 114 A CB -0.537 18.466 19.000 0.006 0.000 0.818 114 A HN 0.515 nan 8.150 nan 0.000 0.445 115 E N 0.186 120.383 120.200 -0.004 0.000 2.072 115 E HA -0.142 4.208 4.350 0.001 0.000 0.191 115 E C 1.948 178.535 176.600 -0.022 0.000 0.985 115 E CA 1.826 58.219 56.400 -0.012 0.000 0.801 115 E CB -0.197 29.496 29.700 -0.012 0.000 0.750 115 E HN 0.550 nan 8.360 nan 0.000 0.452 116 V N -1.131 118.767 119.914 -0.026 0.000 2.719 116 V HA -0.101 4.019 4.120 0.001 0.000 0.252 116 V C 2.326 178.399 176.094 -0.036 0.000 1.065 116 V CA 1.746 64.020 62.300 -0.044 0.000 1.086 116 V CB -0.353 31.433 31.823 -0.062 0.000 0.700 116 V HN 0.206 nan 8.190 nan 0.000 0.467 117 S N 0.595 116.286 115.700 -0.016 0.000 2.356 117 S HA -0.203 4.267 4.470 0.001 0.000 0.223 117 S C 2.249 176.835 174.600 -0.023 0.000 1.032 117 S CA 1.920 60.114 58.200 -0.010 0.000 1.005 117 S CB -0.374 62.836 63.200 0.016 0.000 0.867 117 S HN 0.688 nan 8.310 nan 0.000 0.449 118 R N 0.533 121.023 120.500 -0.016 0.000 2.073 118 R HA 0.004 4.345 4.340 0.001 0.000 0.234 118 R C 2.681 178.963 176.300 -0.030 0.000 1.134 118 R CA 1.382 57.471 56.100 -0.018 0.000 0.952 118 R CB -0.626 29.668 30.300 -0.011 0.000 0.850 118 R HN 0.503 nan 8.270 nan 0.000 0.433 119 A N 0.811 123.610 122.820 -0.035 0.000 1.930 119 A HA -0.055 4.266 4.320 0.001 0.000 0.217 119 A C 2.158 179.710 177.584 -0.052 0.000 1.175 119 A CA 1.713 53.725 52.037 -0.042 0.000 0.627 119 A CB -0.377 18.596 19.000 -0.045 0.000 0.815 119 A HN 0.407 nan 8.150 nan 0.000 0.443 120 A N -1.868 120.916 122.820 -0.060 0.000 2.195 120 A HA 0.331 4.652 4.320 0.001 0.000 0.210 120 A C 0.754 178.293 177.584 -0.075 0.000 1.165 120 A CA 1.072 53.068 52.037 -0.068 0.000 0.806 120 A CB -0.142 18.814 19.000 -0.074 0.000 0.847 120 A HN 0.520 nan 8.150 nan 0.000 0.482 121 D N -1.210 119.144 120.400 -0.078 0.000 2.716 121 D HA -0.124 4.516 4.640 0.001 0.000 0.239 121 D C -0.756 175.443 176.300 -0.168 0.000 1.125 121 D CA 0.861 54.796 54.000 -0.109 0.000 0.681 121 D CB -1.558 39.185 40.800 -0.095 0.000 1.070 121 D HN 0.185 nan 8.370 nan 0.000 0.432 122 V N 2.049 121.875 119.914 -0.147 0.000 2.604 122 V HA 0.347 4.468 4.120 0.001 0.000 0.305 122 V C 0.346 176.359 176.094 -0.135 0.000 1.043 122 V CA -0.922 61.276 62.300 -0.169 0.000 0.888 122 V CB 1.977 33.755 31.823 -0.074 0.000 0.995 122 V HN 0.217 nan 8.190 nan 0.000 0.429 123 H N 4.637 123.711 119.070 0.007 0.000 2.764 123 H HA 0.447 5.003 4.556 0.001 0.000 0.341 123 H C -0.380 174.954 175.328 0.011 0.000 1.072 123 H CA 0.209 56.261 56.048 0.007 0.000 1.444 123 H CB 0.972 30.741 29.762 0.011 0.000 1.458 123 H HN 0.410 nan 8.280 nan 0.000 0.572 124 I N 3.256 123.909 120.570 0.138 0.000 2.418 124 I HA 0.108 4.278 4.170 0.001 0.000 0.287 124 I C -0.198 175.944 176.117 0.041 0.000 1.008 124 I CA -0.786 60.558 61.300 0.073 0.000 1.104 124 I CB 1.938 39.967 38.000 0.048 0.000 1.264 124 I HN 0.125 nan 8.210 nan 0.000 0.438 125 V N 5.817 125.743 119.914 0.020 0.000 2.432 125 V HA 0.519 4.640 4.120 0.001 0.000 0.275 125 V C 0.667 176.742 176.094 -0.033 0.000 1.043 125 V CA -0.333 61.958 62.300 -0.015 0.000 0.925 125 V CB 1.311 33.120 31.823 -0.023 0.000 0.985 125 V HN 0.837 nan 8.190 nan 0.000 0.466 126 A N 4.516 127.312 122.820 -0.040 0.000 2.279 126 A HA 0.934 5.255 4.320 0.001 0.000 0.303 126 A C 0.152 177.694 177.584 -0.070 0.000 1.108 126 A CA -0.055 51.955 52.037 -0.046 0.000 0.830 126 A CB 1.131 20.115 19.000 -0.027 0.000 1.106 126 A HN 1.225 nan 8.150 nan 0.000 0.493 127 A N -0.096 122.679 122.820 -0.074 0.000 2.386 127 A HA 0.830 5.150 4.320 0.001 0.000 0.308 127 A C 0.059 177.589 177.584 -0.091 0.000 1.128 127 A CA -0.033 51.944 52.037 -0.100 0.000 0.789 127 A CB 1.392 20.321 19.000 -0.119 0.000 1.325 127 A HN 1.151 nan 8.150 nan 0.000 0.437 128 T N -1.289 113.173 114.554 -0.154 0.000 2.804 128 T HA 0.802 5.153 4.350 0.001 0.000 0.272 128 T C 0.324 174.833 174.700 -0.319 0.000 0.986 128 T CA 0.852 62.829 62.100 -0.205 0.000 0.999 128 T CB 1.160 69.868 68.868 -0.266 0.000 1.307 128 T HN 2.661 nan 8.240 nan 0.000 0.586 129 G N -0.205 108.249 108.800 -0.577 0.000 2.409 129 G HA2 0.162 4.123 3.960 0.001 0.000 0.421 129 G HA3 0.162 4.123 3.960 0.001 0.000 0.421 129 G C -1.973 172.937 174.900 0.016 0.000 1.259 129 G CA -0.419 44.272 45.100 -0.683 0.000 1.011 129 G HN 0.893 nan 8.290 nan 0.000 0.497 130 L N -1.341 119.991 121.223 0.181 0.000 2.472 130 L HA 0.647 4.988 4.340 0.001 0.000 0.260 130 L C -0.077 177.008 176.870 0.360 0.000 0.963 130 L CA -0.733 54.337 54.840 0.384 0.000 0.829 130 L CB 2.319 44.681 42.059 0.504 0.000 1.348 130 L HN 0.849 nan 8.230 nan 0.000 0.408 131 W N 2.192 123.551 121.300 0.099 0.000 1.961 131 W HA 0.382 5.043 4.660 0.001 0.000 0.637 131 W C 0.610 177.150 176.519 0.035 0.000 1.366 131 W CA -0.092 57.222 57.345 -0.051 0.000 1.140 131 W CB 0.294 29.608 29.460 -0.242 0.000 3.438 131 W HN 0.314 nan 8.180 nan 0.000 0.760 132 F N 0.903 120.563 119.950 -0.484 0.000 2.668 132 F HA 0.327 4.855 4.527 0.001 0.000 0.297 132 F C 0.044 175.676 175.800 -0.280 0.000 1.124 132 F CA -0.534 57.179 58.000 -0.478 0.000 1.353 132 F CB -0.529 38.079 39.000 -0.652 0.000 0.992 132 F HN 0.018 nan 8.300 nan 0.000 0.524 133 D N 1.935 122.384 120.400 0.083 0.000 2.945 133 D HA 0.249 4.889 4.640 0.001 0.000 0.369 133 D C -2.892 173.532 176.300 0.208 0.000 1.294 133 D CA -1.958 52.139 54.000 0.163 0.000 0.778 133 D CB 0.773 41.713 40.800 0.234 0.000 1.188 133 D HN 0.018 nan 8.370 nan 0.000 0.479 134 P HA 0.295 nan 4.420 nan 0.000 0.275 134 P C -2.596 174.773 177.300 0.115 0.000 1.228 134 P CA -1.173 62.063 63.100 0.228 0.000 0.786 134 P CB 0.874 32.729 31.700 0.258 0.000 0.927 135 P HA 0.242 nan 4.420 nan 0.000 0.279 135 P C 1.265 178.561 177.300 -0.007 0.000 1.276 135 P CA -0.541 62.605 63.100 0.076 0.000 0.801 135 P CB 1.123 32.903 31.700 0.133 0.000 1.127 136 L N 0.112 121.320 121.223 -0.026 0.000 2.081 136 L HA -0.215 4.126 4.340 0.001 0.000 0.212 136 L C 2.419 179.246 176.870 -0.072 0.000 1.080 136 L CA 1.850 56.650 54.840 -0.067 0.000 0.754 136 L CB -0.856 41.179 42.059 -0.040 0.000 0.893 136 L HN 0.379 nan 8.230 nan 0.000 0.433 137 S N -1.148 114.530 115.700 -0.036 0.000 2.469 137 S HA -0.081 4.390 4.470 0.001 0.000 0.238 137 S C 1.831 176.379 174.600 -0.087 0.000 0.998 137 S CA 0.963 59.130 58.200 -0.054 0.000 0.957 137 S CB 0.008 63.182 63.200 -0.043 0.000 0.764 137 S HN 0.303 nan 8.310 nan 0.000 0.514 138 M N 0.148 119.704 119.600 -0.075 0.000 2.556 138 M HA 0.237 4.717 4.480 0.001 0.000 0.264 138 M C 2.037 178.291 176.300 -0.078 0.000 1.163 138 M CA 0.706 55.974 55.300 -0.053 0.000 1.186 138 M CB -0.867 31.762 32.600 0.047 0.000 1.321 138 M HN 0.102 nan 8.290 nan 0.000 0.485 139 R N 0.636 120.927 120.500 -0.348 0.000 2.159 139 R HA -0.049 4.291 4.340 0.001 0.000 0.237 139 R C 1.646 177.669 176.300 -0.462 0.000 1.131 139 R CA 1.076 56.642 56.100 -0.889 0.000 0.982 139 R CB -0.241 29.698 30.300 -0.601 0.000 0.868 139 R HN 0.297 nan 8.270 nan 0.000 0.453 140 L N 0.748 121.862 121.223 -0.182 0.000 2.611 140 L HA 0.117 4.457 4.340 0.001 0.000 0.229 140 L C 0.276 177.152 176.870 0.010 0.000 1.137 140 L CA -0.154 54.645 54.840 -0.067 0.000 0.901 140 L CB -0.059 41.963 42.059 -0.062 0.000 1.098 140 L HN -0.005 nan 8.230 nan 0.000 0.456 141 R N 0.498 121.041 120.500 0.071 0.000 2.532 141 R HA 0.358 4.698 4.340 0.001 0.000 0.272 141 R C 0.450 176.814 176.300 0.107 0.000 1.032 141 R CA -0.154 55.987 56.100 0.069 0.000 1.089 141 R CB 1.309 31.631 30.300 0.037 0.000 1.098 141 R HN 0.079 nan 8.270 nan 0.000 0.526 142 S N -0.642 115.083 115.700 0.043 0.000 2.681 142 S HA 0.072 4.543 4.470 0.001 0.000 0.270 142 S C 1.236 175.835 174.600 -0.003 0.000 1.209 142 S CA -0.703 57.516 58.200 0.030 0.000 0.988 142 S CB 1.141 64.347 63.200 0.010 0.000 1.006 142 S HN 0.415 nan 8.310 nan 0.000 0.558 143 V N 0.901 120.807 119.914 -0.014 0.000 2.407 143 V HA -0.135 3.986 4.120 0.001 0.000 0.248 143 V C 2.230 178.290 176.094 -0.056 0.000 1.055 143 V CA 2.415 64.689 62.300 -0.044 0.000 1.049 143 V CB -1.167 30.640 31.823 -0.026 0.000 0.662 143 V HN 0.931 nan 8.190 nan 0.000 0.455 144 E N 0.192 120.371 120.200 -0.034 0.000 2.072 144 E HA -0.188 4.163 4.350 0.001 0.000 0.191 144 E C 2.187 178.756 176.600 -0.052 0.000 0.985 144 E CA 1.795 58.174 56.400 -0.035 0.000 0.801 144 E CB -0.202 29.486 29.700 -0.019 0.000 0.750 144 E HN 0.741 nan 8.360 nan 0.000 0.452 145 E N 0.287 120.457 120.200 -0.050 0.000 2.047 145 E HA -0.145 4.206 4.350 0.001 0.000 0.191 145 E C 2.127 178.667 176.600 -0.101 0.000 0.987 145 E CA 0.810 57.176 56.400 -0.056 0.000 0.799 145 E CB -0.141 29.532 29.700 -0.044 0.000 0.752 145 E HN 0.214 nan 8.360 nan 0.000 0.449 146 L N 0.828 121.956 121.223 -0.158 0.000 2.079 146 L HA -0.189 4.151 4.340 0.001 0.000 0.210 146 L C 2.558 179.099 176.870 -0.547 0.000 1.081 146 L CA 1.208 55.832 54.840 -0.360 0.000 0.752 146 L CB -0.722 41.103 42.059 -0.390 0.000 0.896 146 L HN 0.177 nan 8.230 nan 0.000 0.433 147 T N -1.246 113.131 114.554 -0.295 0.000 2.746 147 T HA -0.195 4.156 4.350 0.001 0.000 0.267 147 T C 1.948 176.584 174.700 -0.107 0.000 1.039 147 T CA 1.048 63.044 62.100 -0.174 0.000 1.142 147 T CB -0.130 68.707 68.868 -0.051 0.000 0.866 147 T HN 0.278 nan 8.240 nan 0.000 0.444 148 Q N 0.173 119.926 119.800 -0.078 0.000 2.124 148 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 148 Q C 2.051 178.060 176.000 0.014 0.000 0.977 148 Q CA 1.124 56.913 55.803 -0.023 0.000 0.850 148 Q CB -0.663 28.065 28.738 -0.016 0.000 0.901 148 Q HN 0.593 nan 8.270 nan 0.000 0.429 149 F N 0.586 120.441 119.950 -0.158 0.000 2.146 149 F HA -0.187 4.341 4.527 0.001 0.000 0.298 149 F C 1.715 177.575 175.800 0.100 0.000 1.096 149 F CA 0.950 58.897 58.000 -0.089 0.000 1.275 149 F CB -0.254 38.647 39.000 -0.165 0.000 1.008 149 F HN -0.075 nan 8.300 nan 0.000 0.480 150 F N 0.575 120.422 119.950 -0.171 0.000 2.186 150 F HA -0.117 4.411 4.527 0.001 0.000 0.299 150 F C 2.304 177.985 175.800 -0.199 0.000 1.090 150 F CA 0.879 58.727 58.000 -0.253 0.000 1.307 150 F CB -1.548 37.408 39.000 -0.072 0.000 1.019 150 F HN 0.018 nan 8.300 nan 0.000 0.489 151 L N -0.617 120.651 121.223 0.075 0.000 2.093 151 L HA -0.170 4.171 4.340 0.001 0.000 0.208 151 L C 2.743 179.615 176.870 0.003 0.000 1.085 151 L CA 1.051 55.909 54.840 0.031 0.000 0.755 151 L CB -0.572 41.502 42.059 0.025 0.000 0.904 151 L HN 0.034 nan 8.230 nan 0.000 0.435 152 R N 0.687 121.171 120.500 -0.027 0.000 2.094 152 R HA -0.209 4.132 4.340 0.001 0.000 0.239 152 R C 2.046 178.357 176.300 0.017 0.000 1.137 152 R CA 1.961 58.058 56.100 -0.004 0.000 0.943 152 R CB -0.198 30.083 30.300 -0.033 0.000 0.850 152 R HN 0.453 nan 8.270 nan 0.000 0.433 153 E N -0.109 120.018 120.200 -0.122 0.000 2.150 153 E HA -0.162 4.189 4.350 0.001 0.000 0.193 153 E C 2.073 178.639 176.600 -0.057 0.000 0.985 153 E CA 1.251 57.585 56.400 -0.110 0.000 0.814 153 E CB -0.032 29.515 29.700 -0.256 0.000 0.752 153 E HN 0.475 nan 8.360 nan 0.000 0.466 154 I N 0.575 121.114 120.570 -0.052 0.000 2.400 154 I HA -0.204 3.967 4.170 0.001 0.000 0.248 154 I C 2.267 178.375 176.117 -0.015 0.000 1.109 154 I CA 0.941 62.215 61.300 -0.042 0.000 1.425 154 I CB -0.012 37.962 38.000 -0.042 0.000 1.094 154 I HN 0.013 nan 8.210 nan 0.000 0.425 155 Q N -0.781 119.031 119.800 0.019 0.000 2.226 155 Q HA -0.076 4.265 4.340 0.001 0.000 0.199 155 Q C 1.858 177.905 176.000 0.078 0.000 0.945 155 Q CA 0.973 56.799 55.803 0.039 0.000 0.861 155 Q CB 0.038 28.804 28.738 0.046 0.000 0.953 155 Q HN 0.465 nan 8.270 nan 0.000 0.490 156 Y N 0.269 120.552 120.300 -0.027 0.000 2.343 156 Y HA 0.283 4.833 4.550 0.001 0.000 0.294 156 Y C 0.643 176.533 175.900 -0.017 0.000 1.122 156 Y CA 1.350 59.440 58.100 -0.017 0.000 1.173 156 Y CB 0.768 39.222 38.460 -0.010 0.000 1.077 156 Y HN 0.084 nan 8.280 nan 0.000 0.542 157 G N 0.325 109.156 108.800 0.052 0.000 2.357 157 G HA2 0.003 3.964 3.960 0.001 0.000 0.643 157 G HA3 0.003 3.964 3.960 0.001 0.000 0.643 157 G C -1.635 173.302 174.900 0.062 0.000 1.358 157 G CA -0.580 44.499 45.100 -0.035 0.000 0.986 157 G HN 0.187 nan 8.290 nan 0.000 0.620 158 I N 1.984 122.574 120.570 0.033 0.000 2.395 158 I HA 0.371 4.541 4.170 0.001 0.000 0.289 158 I C 1.156 177.341 176.117 0.112 0.000 1.023 158 I CA 0.283 61.630 61.300 0.078 0.000 1.350 158 I CB 0.954 38.991 38.000 0.061 0.000 1.409 158 I HN 0.975 nan 8.210 nan 0.000 0.507 159 E N 3.480 123.782 120.200 0.170 0.000 3.304 159 E HA -0.330 4.021 4.350 0.001 0.000 0.365 159 E C 0.009 176.717 176.600 0.179 0.000 1.512 159 E CA 1.818 58.324 56.400 0.177 0.000 1.642 159 E CB -0.486 29.303 29.700 0.148 0.000 1.738 159 E HN 0.936 nan 8.360 nan 0.000 0.483 160 D N 0.005 120.480 120.400 0.126 0.000 2.424 160 D HA 0.045 4.686 4.640 0.001 0.000 0.220 160 D C 1.070 177.382 176.300 0.020 0.000 1.150 160 D CA 0.899 54.958 54.000 0.099 0.000 0.831 160 D CB -0.167 40.690 40.800 0.094 0.000 0.981 160 D HN 0.411 nan 8.370 nan 0.000 0.500 161 T N -3.950 110.610 114.554 0.009 0.000 3.067 161 T HA 0.255 4.606 4.350 0.001 0.000 0.261 161 T C 1.898 176.557 174.700 -0.069 0.000 1.110 161 T CA 0.743 62.832 62.100 -0.018 0.000 1.113 161 T CB -0.290 68.579 68.868 0.003 0.000 0.917 161 T HN 0.357 nan 8.240 nan 0.000 0.499 162 G N 1.340 110.061 108.800 -0.131 0.000 2.179 162 G HA2 -0.226 3.735 3.960 0.001 0.000 0.260 162 G HA3 -0.226 3.735 3.960 0.001 0.000 0.260 162 G C 0.076 174.907 174.900 -0.115 0.000 0.977 162 G CA 0.169 45.160 45.100 -0.183 0.000 0.641 162 G HN 0.663 nan 8.290 nan 0.000 0.533 163 I N 1.901 122.431 120.570 -0.067 0.000 2.396 163 I HA 0.281 4.452 4.170 0.001 0.000 0.289 163 I C 1.013 177.103 176.117 -0.046 0.000 1.056 163 I CA -0.424 60.849 61.300 -0.046 0.000 1.365 163 I CB 0.592 38.579 38.000 -0.022 0.000 1.407 163 I HN 0.049 nan 8.210 nan 0.000 0.509 164 R N 5.270 125.740 120.500 -0.052 0.000 2.368 164 R HA 0.620 4.961 4.340 0.001 0.000 0.302 164 R C -0.212 176.056 176.300 -0.053 0.000 1.002 164 R CA -0.774 55.296 56.100 -0.051 0.000 0.929 164 R CB 1.424 31.692 30.300 -0.054 0.000 1.073 164 R HN 0.676 nan 8.270 nan 0.000 0.464 165 A N 1.217 124.001 122.820 -0.060 0.000 2.425 165 A HA 0.342 4.663 4.320 0.001 0.000 0.249 165 A C 1.042 178.574 177.584 -0.087 0.000 1.084 165 A CA 0.057 52.049 52.037 -0.075 0.000 0.781 165 A CB 0.417 19.360 19.000 -0.095 0.000 1.019 165 A HN 0.930 nan 8.150 nan 0.000 0.490 166 G N 0.678 109.421 108.800 -0.095 0.000 3.324 166 G HA2 0.456 4.417 3.960 0.001 0.000 0.251 166 G HA3 0.456 4.417 3.960 0.001 0.000 0.251 166 G C -0.003 174.808 174.900 -0.148 0.000 1.072 166 G CA 0.314 45.347 45.100 -0.111 0.000 0.787 166 G HN 0.736 nan 8.290 nan 0.000 0.537 167 I N -0.302 120.178 120.570 -0.150 0.000 2.984 167 I HA 0.491 4.661 4.170 0.001 0.000 0.303 167 I C -1.709 174.303 176.117 -0.176 0.000 1.381 167 I CA -1.324 59.869 61.300 -0.178 0.000 0.988 167 I CB 2.682 40.590 38.000 -0.153 0.000 1.307 167 I HN -0.155 nan 8.210 nan 0.000 0.460 168 I N 4.906 125.366 120.570 -0.184 0.000 2.362 168 I HA 0.387 4.557 4.170 0.001 0.000 0.289 168 I C -0.805 175.222 176.117 -0.149 0.000 0.994 168 I CA -0.672 60.495 61.300 -0.223 0.000 1.158 168 I CB 1.643 39.498 38.000 -0.241 0.000 1.315 168 I HN 0.324 nan 8.210 nan 0.000 0.451 169 K N 7.200 127.511 120.400 -0.148 0.000 2.213 169 K HA 0.673 4.994 4.320 0.001 0.000 0.270 169 K C -0.960 175.653 176.600 0.021 0.000 1.002 169 K CA -0.508 55.752 56.287 -0.045 0.000 0.868 169 K CB 1.339 33.802 32.500 -0.060 0.000 1.093 169 K HN 0.469 nan 8.250 nan 0.000 0.454 170 V N 0.177 120.166 119.914 0.125 0.000 3.141 170 V HA 1.019 5.140 4.120 0.001 0.000 0.312 170 V C -1.047 175.203 176.094 0.260 0.000 1.157 170 V CA -0.774 61.643 62.300 0.195 0.000 1.041 170 V CB 1.562 33.514 31.823 0.215 0.000 1.071 170 V HN 0.893 nan 8.190 nan 0.000 0.441 171 A N 1.362 124.332 122.820 0.250 0.000 2.549 171 A HA 0.975 5.296 4.320 0.001 0.000 0.297 171 A C -0.344 177.356 177.584 0.193 0.000 1.061 171 A CA -0.009 52.191 52.037 0.271 0.000 0.690 171 A CB 1.825 20.969 19.000 0.241 0.000 1.287 171 A HN 2.066 nan 8.150 nan 0.000 0.402 172 T N -1.950 112.729 114.554 0.208 0.000 2.896 172 T HA 0.752 5.102 4.350 0.001 0.000 0.297 172 T C -0.505 174.270 174.700 0.125 0.000 1.108 172 T CA -0.389 61.778 62.100 0.111 0.000 1.004 172 T CB 2.005 70.912 68.868 0.065 0.000 1.159 172 T HN 1.157 nan 8.240 nan 0.000 0.499 173 T N 0.957 115.513 114.554 0.003 0.000 3.418 173 T HA 0.608 4.959 4.350 0.001 0.000 0.315 173 T C 0.520 175.199 174.700 -0.035 0.000 1.447 173 T CA 0.878 62.962 62.100 -0.026 0.000 1.641 173 T CB -1.020 67.693 68.868 -0.258 0.000 0.904 173 T HN 1.813 nan 8.240 nan 0.000 0.640 174 G N 2.719 111.517 108.800 -0.004 0.000 2.508 174 G HA2 -0.159 3.801 3.960 0.001 0.000 0.220 174 G HA3 -0.159 3.801 3.960 0.001 0.000 0.220 174 G C -0.533 174.351 174.900 -0.025 0.000 1.287 174 G CA -0.759 44.326 45.100 -0.025 0.000 0.916 174 G HN 0.704 nan 8.290 nan 0.000 0.574 175 K N 1.015 121.396 120.400 -0.031 0.000 2.473 175 K HA 0.383 4.704 4.320 0.001 0.000 0.277 175 K C 1.110 177.696 176.600 -0.024 0.000 1.052 175 K CA 0.521 56.791 56.287 -0.028 0.000 1.114 175 K CB 0.050 32.534 32.500 -0.027 0.000 0.869 175 K HN 1.166 nan 8.250 nan 0.000 0.481 176 A N 3.471 126.277 122.820 -0.024 0.000 2.483 176 A HA 0.084 4.405 4.320 0.001 0.000 0.238 176 A C 0.458 178.039 177.584 -0.004 0.000 1.070 176 A CA -0.086 51.941 52.037 -0.017 0.000 0.770 176 A CB 0.118 19.098 19.000 -0.034 0.000 1.008 176 A HN 0.804 nan 8.150 nan 0.000 0.497 177 T N 0.021 114.586 114.554 0.018 0.000 2.874 177 T HA 0.478 4.829 4.350 0.001 0.000 0.281 177 T C -1.924 172.810 174.700 0.055 0.000 0.994 177 T CA -1.480 60.645 62.100 0.043 0.000 1.015 177 T CB 0.907 69.822 68.868 0.078 0.000 1.028 177 T HN 0.327 nan 8.240 nan 0.000 0.523 178 P HA -0.074 nan 4.420 nan 0.000 0.216 178 P C 1.224 178.588 177.300 0.106 0.000 1.153 178 P CA 0.823 63.966 63.100 0.071 0.000 0.858 178 P CB -0.143 31.602 31.700 0.075 0.000 0.789 179 F N 0.597 120.558 119.950 0.017 0.000 2.146 179 F HA -0.151 4.376 4.527 0.001 0.000 0.298 179 F C 2.230 178.059 175.800 0.050 0.000 1.096 179 F CA 1.568 59.587 58.000 0.032 0.000 1.275 179 F CB -0.857 38.164 39.000 0.034 0.000 1.008 179 F HN -0.122 nan 8.300 nan 0.000 0.480 180 Q N 0.063 119.863 119.800 0.000 0.000 2.170 180 Q HA -0.211 4.129 4.340 0.001 0.000 0.203 180 Q C 2.045 177.978 176.000 -0.112 0.000 0.976 180 Q CA 1.886 57.645 55.803 -0.074 0.000 0.858 180 Q CB -0.285 28.469 28.738 0.026 0.000 0.907 180 Q HN 0.579 nan 8.270 nan 0.000 0.433 181 E N 0.496 120.648 120.200 -0.079 0.000 2.110 181 E HA -0.157 4.193 4.350 0.001 0.000 0.193 181 E C 2.045 178.586 176.600 -0.097 0.000 0.988 181 E CA 0.712 57.065 56.400 -0.079 0.000 0.804 181 E CB -0.063 29.608 29.700 -0.048 0.000 0.745 181 E HN 0.363 nan 8.360 nan 0.000 0.458 182 L N 0.721 121.854 121.223 -0.149 0.000 2.046 182 L HA -0.171 4.170 4.340 0.001 0.000 0.208 182 L C 2.527 179.293 176.870 -0.174 0.000 1.077 182 L CA 0.808 55.550 54.840 -0.164 0.000 0.747 182 L CB -0.499 41.426 42.059 -0.224 0.000 0.896 182 L HN 0.068 nan 8.230 nan 0.000 0.432 183 V N -0.025 119.720 119.914 -0.281 0.000 2.255 183 V HA -0.311 3.810 4.120 0.001 0.000 0.247 183 V C 2.470 178.643 176.094 0.132 0.000 1.051 183 V CA 1.603 63.863 62.300 -0.068 0.000 1.018 183 V CB -0.423 31.349 31.823 -0.086 0.000 0.641 183 V HN 0.254 nan 8.190 nan 0.000 0.445 184 L N -0.351 120.909 121.223 0.062 0.000 2.042 184 L HA -0.195 4.146 4.340 0.001 0.000 0.210 184 L C 2.385 179.378 176.870 0.205 0.000 1.076 184 L CA 1.932 56.852 54.840 0.133 0.000 0.749 184 L CB -0.806 41.175 42.059 -0.129 0.000 0.893 184 L HN 0.272 nan 8.230 nan 0.000 0.432 185 K N -1.127 119.330 120.400 0.095 0.000 2.057 185 K HA -0.096 4.225 4.320 0.001 0.000 0.206 185 K C 2.151 178.834 176.600 0.138 0.000 1.050 185 K CA 1.277 57.628 56.287 0.106 0.000 0.935 185 K CB -0.335 32.189 32.500 0.040 0.000 0.715 185 K HN 0.322 nan 8.250 nan 0.000 0.439 186 A N 1.302 124.197 122.820 0.125 0.000 1.933 186 A HA -0.106 4.214 4.320 0.001 0.000 0.218 186 A C 2.318 180.098 177.584 0.327 0.000 1.175 186 A CA 1.796 53.916 52.037 0.138 0.000 0.628 186 A CB -0.643 18.346 19.000 -0.017 0.000 0.814 186 A HN 0.338 nan 8.150 nan 0.000 0.444 187 A N -0.125 122.946 122.820 0.419 0.000 1.930 187 A HA 0.190 4.510 4.320 0.001 0.000 0.217 187 A C 2.485 180.193 177.584 0.207 0.000 1.175 187 A CA 1.939 54.176 52.037 0.334 0.000 0.627 187 A CB -0.937 18.219 19.000 0.261 0.000 0.815 187 A HN 1.002 nan 8.150 nan 0.000 0.443 188 A N -0.054 122.914 122.820 0.247 0.000 1.902 188 A HA -0.161 4.159 4.320 0.001 0.000 0.217 188 A C 2.257 179.906 177.584 0.109 0.000 1.181 188 A CA 1.540 53.682 52.037 0.176 0.000 0.623 188 A CB -0.449 18.715 19.000 0.275 0.000 0.818 188 A HN 0.555 nan 8.150 nan 0.000 0.443 189 R N -0.559 120.013 120.500 0.120 0.000 2.075 189 R HA -0.039 4.301 4.340 0.001 0.000 0.232 189 R C 2.482 178.827 176.300 0.074 0.000 1.126 189 R CA 1.176 57.325 56.100 0.082 0.000 0.963 189 R CB -0.483 29.860 30.300 0.071 0.000 0.858 189 R HN 0.496 nan 8.270 nan 0.000 0.435 190 A N 0.436 123.326 122.820 0.116 0.000 1.933 190 A HA -0.191 4.130 4.320 0.001 0.000 0.218 190 A C 2.190 179.797 177.584 0.038 0.000 1.175 190 A CA 1.852 53.949 52.037 0.099 0.000 0.628 190 A CB -0.556 18.564 19.000 0.200 0.000 0.814 190 A HN 0.315 nan 8.150 nan 0.000 0.444 191 S N -0.547 115.165 115.700 0.019 0.000 2.368 191 S HA -0.067 4.403 4.470 0.001 0.000 0.224 191 S C 1.915 176.495 174.600 -0.033 0.000 1.029 191 S CA 1.323 59.502 58.200 -0.037 0.000 0.988 191 S CB -0.447 62.709 63.200 -0.074 0.000 0.838 191 S HN 0.505 nan 8.310 nan 0.000 0.462 192 L N 0.863 122.081 121.223 -0.008 0.000 2.093 192 L HA -0.028 4.313 4.340 0.001 0.000 0.208 192 L C 2.857 179.723 176.870 -0.007 0.000 1.085 192 L CA 1.180 56.016 54.840 -0.007 0.000 0.755 192 L CB -0.561 41.505 42.059 0.012 0.000 0.904 192 L HN 0.423 nan 8.230 nan 0.000 0.435 193 A N -0.408 122.413 122.820 0.001 0.000 1.970 193 A HA -0.132 4.188 4.320 0.001 0.000 0.216 193 A C 2.311 179.888 177.584 -0.011 0.000 1.170 193 A CA 1.848 53.884 52.037 -0.001 0.000 0.645 193 A CB -0.508 18.497 19.000 0.009 0.000 0.816 193 A HN 0.488 nan 8.150 nan 0.000 0.447 194 T N -5.976 108.566 114.554 -0.020 0.000 2.990 194 T HA 0.424 4.774 4.350 0.001 0.000 0.249 194 T C 1.499 176.167 174.700 -0.052 0.000 1.039 194 T CA 1.146 63.226 62.100 -0.033 0.000 1.036 194 T CB 0.372 69.219 68.868 -0.035 0.000 0.994 194 T HN 1.620 nan 8.240 nan 0.000 0.489 195 G N 0.991 109.753 108.800 -0.063 0.000 2.195 195 G HA2 -0.231 3.730 3.960 0.001 0.000 0.246 195 G HA3 -0.231 3.730 3.960 0.001 0.000 0.246 195 G C 0.117 174.944 174.900 -0.122 0.000 0.984 195 G CA -0.023 45.028 45.100 -0.082 0.000 0.633 195 G HN 0.705 nan 8.290 nan 0.000 0.525 196 V N 3.685 123.523 119.914 -0.128 0.000 2.637 196 V HA 0.392 4.512 4.120 0.001 0.000 0.296 196 V C -0.750 175.203 176.094 -0.236 0.000 1.046 196 V CA -0.567 61.627 62.300 -0.178 0.000 1.066 196 V CB 1.266 33.002 31.823 -0.145 0.000 0.968 196 V HN 0.298 nan 8.190 nan 0.000 0.483 197 P HA 0.304 nan 4.420 nan 0.000 0.276 197 P C -1.049 176.067 177.300 -0.307 0.000 1.261 197 P CA -0.260 62.565 63.100 -0.458 0.000 0.800 197 P CB 1.036 32.055 31.700 -1.134 0.000 1.066 198 V N -0.067 119.730 119.914 -0.196 0.000 2.555 198 V HA 0.561 4.682 4.120 0.001 0.000 0.302 198 V C 0.349 176.491 176.094 0.080 0.000 1.038 198 V CA -0.249 61.982 62.300 -0.114 0.000 0.887 198 V CB 1.591 33.249 31.823 -0.274 0.000 0.991 198 V HN 0.672 nan 8.190 nan 0.000 0.434 199 T N 2.686 117.298 114.554 0.097 0.000 2.893 199 T HA 0.734 5.085 4.350 0.001 0.000 0.293 199 T C -0.428 174.351 174.700 0.131 0.000 1.027 199 T CA -0.082 62.118 62.100 0.168 0.000 0.988 199 T CB 1.654 70.642 68.868 0.199 0.000 1.043 199 T HN 1.066 nan 8.240 nan 0.000 0.461 200 T N 0.910 115.544 114.554 0.133 0.000 2.916 200 T HA 0.566 4.917 4.350 0.001 0.000 0.292 200 T C -0.785 173.965 174.700 0.082 0.000 1.064 200 T CA -0.785 61.413 62.100 0.165 0.000 1.011 200 T CB 1.322 70.324 68.868 0.223 0.000 1.152 200 T HN 0.806 nan 8.240 nan 0.000 0.510 201 H N 0.633 119.738 119.070 0.058 0.000 2.467 201 H HA 0.645 5.201 4.556 0.001 0.000 0.326 201 H C -0.027 175.370 175.328 0.116 0.000 1.094 201 H CA -0.397 55.642 56.048 -0.014 0.000 1.253 201 H CB 1.142 31.128 29.762 0.374 0.000 1.439 201 H HN 1.007 nan 8.280 nan 0.000 0.479 202 T N 1.659 116.231 114.554 0.030 0.000 2.907 202 T HA 0.653 5.003 4.350 0.001 0.000 0.290 202 T C -0.364 174.378 174.700 0.069 0.000 1.066 202 T CA -0.816 61.369 62.100 0.141 0.000 1.012 202 T CB 1.564 70.493 68.868 0.101 0.000 1.184 202 T HN 0.712 nan 8.240 nan 0.000 0.522 203 A N 0.775 123.659 122.820 0.106 0.000 2.969 203 A HA 0.736 5.057 4.320 0.001 0.000 0.328 203 A C 1.617 179.214 177.584 0.022 0.000 1.355 203 A CA -0.205 51.870 52.037 0.063 0.000 1.018 203 A CB -0.817 18.217 19.000 0.056 0.000 1.159 203 A HN 1.323 nan 8.150 nan 0.000 0.505 204 A N 1.501 124.347 122.820 0.043 0.000 1.927 204 A HA -0.204 4.117 4.320 0.001 0.000 0.220 204 A C 2.569 180.108 177.584 -0.074 0.000 1.185 204 A CA 2.611 54.688 52.037 0.067 0.000 0.639 204 A CB -0.880 18.198 19.000 0.130 0.000 0.820 204 A HN 1.570 nan 8.150 nan 0.000 0.451 205 S N -0.332 115.336 115.700 -0.053 0.000 2.383 205 S HA -0.260 4.210 4.470 0.001 0.000 0.229 205 S C 1.657 176.168 174.600 -0.149 0.000 1.030 205 S CA 1.572 59.720 58.200 -0.086 0.000 1.002 205 S CB -0.609 62.567 63.200 -0.040 0.000 0.829 205 S HN 0.721 nan 8.310 nan 0.000 0.467 206 Q N 0.430 120.154 119.800 -0.128 0.000 2.365 206 Q HA 0.280 4.620 4.340 0.001 0.000 0.203 206 Q C -0.095 175.774 176.000 -0.218 0.000 0.929 206 Q CA -0.159 55.561 55.803 -0.139 0.000 0.948 206 Q CB -0.042 28.648 28.738 -0.078 0.000 1.043 206 Q HN 0.500 nan 8.270 nan 0.000 0.505 207 R N 0.238 120.494 120.500 -0.407 0.000 3.770 207 R HA -0.201 4.139 4.340 0.001 0.000 0.305 207 R C -0.162 176.031 176.300 -0.179 0.000 1.184 207 R CA 0.587 56.286 56.100 -0.668 0.000 0.823 207 R CB -1.581 28.371 30.300 -0.580 0.000 1.285 207 R HN 0.338 nan 8.270 nan 0.000 0.499 208 D N -0.164 120.205 120.400 -0.052 0.000 2.203 208 D HA -0.140 4.500 4.640 0.001 0.000 0.199 208 D C 1.965 178.300 176.300 0.059 0.000 0.997 208 D CA 1.812 55.824 54.000 0.019 0.000 0.863 208 D CB -0.330 40.505 40.800 0.059 0.000 0.928 208 D HN 0.626 nan 8.370 nan 0.000 0.458 209 G N 0.262 109.168 108.800 0.177 0.000 2.462 209 G HA2 -0.280 3.681 3.960 0.001 0.000 0.220 209 G HA3 -0.280 3.681 3.960 0.001 0.000 0.220 209 G C 1.528 176.432 174.900 0.008 0.000 1.121 209 G CA 0.607 45.769 45.100 0.104 0.000 0.758 209 G HN 0.310 nan 8.290 nan 0.000 0.559 210 E N -0.012 120.249 120.200 0.102 0.000 2.047 210 E HA -0.166 4.185 4.350 0.001 0.000 0.191 210 E C 2.608 179.186 176.600 -0.038 0.000 0.987 210 E CA 1.299 57.716 56.400 0.029 0.000 0.799 210 E CB -0.117 29.631 29.700 0.079 0.000 0.752 210 E HN 0.763 nan 8.360 nan 0.000 0.449 211 Q N 0.709 120.483 119.800 -0.043 0.000 2.172 211 Q HA -0.184 4.157 4.340 0.001 0.000 0.200 211 Q C 1.927 177.837 176.000 -0.149 0.000 0.964 211 Q CA 1.205 56.963 55.803 -0.075 0.000 0.855 211 Q CB -0.045 28.657 28.738 -0.060 0.000 0.918 211 Q HN 0.239 nan 8.270 nan 0.000 0.444 212 Q N 0.561 120.253 119.800 -0.179 0.000 2.020 212 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 212 Q C 2.325 178.072 176.000 -0.421 0.000 0.982 212 Q CA 1.592 57.172 55.803 -0.372 0.000 0.838 212 Q CB -0.307 28.329 28.738 -0.170 0.000 0.899 212 Q HN 0.598 nan 8.270 nan 0.000 0.423 213 A N 1.104 123.819 122.820 -0.175 0.000 1.940 213 A HA -0.191 4.129 4.320 0.001 0.000 0.219 213 A C 2.273 179.911 177.584 0.089 0.000 1.176 213 A CA 1.748 53.764 52.037 -0.034 0.000 0.631 213 A CB -0.794 18.009 19.000 -0.328 0.000 0.814 213 A HN 0.427 nan 8.150 nan 0.000 0.446 214 A N -0.098 122.710 122.820 -0.020 0.000 1.877 214 A HA -0.077 4.243 4.320 0.001 0.000 0.216 214 A C 2.122 179.704 177.584 -0.003 0.000 1.186 214 A CA 1.560 53.602 52.037 0.008 0.000 0.620 214 A CB -0.607 18.381 19.000 -0.021 0.000 0.822 214 A HN 0.488 nan 8.150 nan 0.000 0.443 215 I N -1.551 118.953 120.570 -0.111 0.000 2.226 215 I HA -0.228 3.943 4.170 0.001 0.000 0.245 215 I C 2.215 178.328 176.117 -0.006 0.000 1.100 215 I CA 1.118 62.347 61.300 -0.120 0.000 1.374 215 I CB -0.362 37.484 38.000 -0.257 0.000 1.057 215 I HN 0.267 nan 8.210 nan 0.000 0.413 216 F N 1.220 121.221 119.950 0.084 0.000 2.102 216 F HA -0.191 4.336 4.527 0.001 0.000 0.298 216 F C 2.549 178.410 175.800 0.101 0.000 1.105 216 F CA 1.325 59.389 58.000 0.106 0.000 1.239 216 F CB -0.999 38.104 39.000 0.171 0.000 0.991 216 F HN 0.084 nan 8.300 nan 0.000 0.474 217 E N -0.250 120.139 120.200 0.316 0.000 2.153 217 E HA -0.183 4.168 4.350 0.001 0.000 0.194 217 E C 2.293 178.971 176.600 0.130 0.000 0.988 217 E CA 1.408 57.930 56.400 0.204 0.000 0.811 217 E CB -0.274 29.544 29.700 0.195 0.000 0.746 217 E HN 0.367 nan 8.360 nan 0.000 0.466 218 S N 0.674 116.439 115.700 0.109 0.000 2.474 218 S HA -0.117 4.354 4.470 0.001 0.000 0.235 218 S C 1.573 176.218 174.600 0.075 0.000 0.997 218 S CA 0.790 59.033 58.200 0.072 0.000 0.949 218 S CB 0.049 63.276 63.200 0.045 0.000 0.766 218 S HN 0.122 nan 8.310 nan 0.000 0.517 219 E N 0.428 120.693 120.200 0.108 0.000 2.472 219 E HA 0.221 4.571 4.350 0.001 0.000 0.196 219 E C 1.384 178.035 176.600 0.086 0.000 1.033 219 E CA 0.579 57.039 56.400 0.100 0.000 0.886 219 E CB 0.266 30.046 29.700 0.134 0.000 0.944 219 E HN 0.714 nan 8.360 nan 0.000 0.492 220 G N 1.704 110.556 108.800 0.087 0.000 2.157 220 G HA2 -0.264 3.696 3.960 0.001 0.000 0.239 220 G HA3 -0.264 3.696 3.960 0.001 0.000 0.239 220 G C 0.078 175.010 174.900 0.053 0.000 0.982 220 G CA 0.292 45.428 45.100 0.060 0.000 0.650 220 G HN 0.239 nan 8.290 nan 0.000 0.527 221 L N 2.069 123.340 121.223 0.081 0.000 2.416 221 L HA 0.693 5.033 4.340 0.001 0.000 0.272 221 L C 0.937 177.808 176.870 0.003 0.000 1.161 221 L CA 0.355 55.219 54.840 0.040 0.000 0.845 221 L CB 1.316 43.403 42.059 0.048 0.000 1.119 221 L HN 0.335 nan 8.230 nan 0.000 0.464 222 S N 5.838 121.507 115.700 -0.051 0.000 2.531 222 S HA 0.318 4.789 4.470 0.001 0.000 0.279 222 S C -1.590 172.893 174.600 -0.196 0.000 1.305 222 S CA -1.006 57.132 58.200 -0.103 0.000 1.058 222 S CB 0.787 63.937 63.200 -0.084 0.000 0.899 222 S HN 0.635 nan 8.310 nan 0.000 0.493 223 P HA -0.099 nan 4.420 nan 0.000 0.219 223 P C 1.403 178.444 177.300 -0.432 0.000 1.146 223 P CA 1.116 63.694 63.100 -0.870 0.000 0.808 223 P CB -0.157 30.661 31.700 -1.471 0.000 0.779 224 S N -1.477 114.076 115.700 -0.245 0.000 2.547 224 S HA -0.048 4.422 4.470 0.001 0.000 0.235 224 S C 1.512 176.120 174.600 0.013 0.000 0.980 224 S CA 0.572 58.719 58.200 -0.089 0.000 0.941 224 S CB -0.642 62.522 63.200 -0.061 0.000 0.763 224 S HN -0.000 nan 8.310 nan 0.000 0.532 225 R N 0.722 121.205 120.500 -0.029 0.000 2.393 225 R HA 0.443 4.784 4.340 0.001 0.000 0.244 225 R C -0.537 175.806 176.300 0.072 0.000 0.920 225 R CA -0.110 55.982 56.100 -0.013 0.000 1.076 225 R CB 0.001 30.235 30.300 -0.109 0.000 1.119 225 R HN 0.370 nan 8.270 nan 0.000 0.524 226 V N 0.376 120.378 119.914 0.147 0.000 2.604 226 V HA 0.317 4.438 4.120 0.001 0.000 0.305 226 V C -0.415 175.813 176.094 0.222 0.000 1.043 226 V CA -1.299 61.108 62.300 0.177 0.000 0.888 226 V CB 2.538 34.438 31.823 0.128 0.000 0.995 226 V HN 0.146 nan 8.190 nan 0.000 0.429 227 C N 6.940 126.338 119.300 0.163 0.000 2.301 227 C HA 0.620 5.080 4.460 0.001 0.000 0.323 227 C C -0.337 174.659 174.990 0.010 0.000 1.265 227 C CA -0.600 58.368 59.018 -0.084 0.000 1.503 227 C CB -0.351 27.149 27.740 -0.401 0.000 2.195 227 C HN 0.701 nan 8.230 nan 0.000 0.477 228 I N 6.724 127.283 120.570 -0.019 0.000 2.291 228 I HA 0.320 4.490 4.170 0.001 0.000 0.292 228 I C 1.181 177.249 176.117 -0.082 0.000 1.064 228 I CA 0.387 61.672 61.300 -0.025 0.000 1.269 228 I CB 0.064 38.015 38.000 -0.081 0.000 1.418 228 I HN 0.898 nan 8.210 nan 0.000 0.485 229 G N 4.436 113.167 108.800 -0.114 0.000 2.528 229 G HA2 0.322 4.283 3.960 0.001 0.000 0.289 229 G HA3 0.322 4.283 3.960 0.001 0.000 0.289 229 G C 0.230 174.962 174.900 -0.279 0.000 1.192 229 G CA -0.177 44.774 45.100 -0.249 0.000 0.921 229 G HN 0.764 nan 8.290 nan 0.000 0.512 230 H N -0.970 117.879 119.070 -0.368 0.000 2.861 230 H HA -0.157 4.400 4.556 0.001 0.000 0.289 230 H C 1.943 177.148 175.328 -0.205 0.000 1.176 230 H CA 0.432 56.187 56.048 -0.488 0.000 1.146 230 H CB -1.798 27.660 29.762 -0.507 0.000 1.330 230 H HN 0.341 nan 8.280 nan 0.000 0.379 231 S N 0.105 115.786 115.700 -0.032 0.000 2.481 231 S HA -0.086 4.385 4.470 0.001 0.000 0.231 231 S C 1.617 176.242 174.600 0.041 0.000 0.996 231 S CA 0.932 59.142 58.200 0.016 0.000 0.942 231 S CB 0.089 63.263 63.200 -0.043 0.000 0.768 231 S HN 0.688 nan 8.310 nan 0.000 0.520 232 D N 0.455 120.871 120.400 0.028 0.000 2.328 232 D HA -0.006 4.634 4.640 0.001 0.000 0.226 232 D C 0.280 176.626 176.300 0.078 0.000 1.066 232 D CA 0.195 54.231 54.000 0.060 0.000 0.861 232 D CB -0.172 40.672 40.800 0.073 0.000 0.912 232 D HN 0.104 nan 8.370 nan 0.000 0.521 233 D N 0.134 120.579 120.400 0.076 0.000 2.347 233 D HA -0.009 4.632 4.640 0.001 0.000 0.215 233 D C 0.275 176.616 176.300 0.068 0.000 0.976 233 D CA 0.726 54.775 54.000 0.082 0.000 0.884 233 D CB 0.400 41.249 40.800 0.083 0.000 0.915 233 D HN 0.158 nan 8.370 nan 0.000 0.526 234 T N -0.840 113.764 114.554 0.083 0.000 2.908 234 T HA 0.169 4.520 4.350 0.001 0.000 0.290 234 T C -0.018 174.732 174.700 0.083 0.000 1.034 234 T CA -0.786 61.361 62.100 0.079 0.000 1.010 234 T CB 1.453 70.381 68.868 0.100 0.000 1.068 234 T HN -0.253 nan 8.240 nan 0.000 0.481 235 D N 1.465 121.903 120.400 0.064 0.000 2.350 235 D HA 0.046 4.686 4.640 0.001 0.000 0.213 235 D C 0.020 176.362 176.300 0.070 0.000 1.031 235 D CA 0.117 54.154 54.000 0.060 0.000 0.861 235 D CB 0.295 41.120 40.800 0.042 0.000 0.926 235 D HN 0.512 nan 8.370 nan 0.000 0.520 236 D N 1.412 121.867 120.400 0.090 0.000 2.398 236 D HA -0.030 4.611 4.640 0.001 0.000 0.250 236 D C 1.196 177.577 176.300 0.135 0.000 1.287 236 D CA -0.175 53.890 54.000 0.108 0.000 0.992 236 D CB 0.464 41.326 40.800 0.103 0.000 1.071 236 D HN -0.027 nan 8.370 nan 0.000 0.514 237 L N 3.212 124.490 121.223 0.092 0.000 2.275 237 L HA -0.153 4.187 4.340 0.001 0.000 0.215 237 L C 2.294 179.209 176.870 0.074 0.000 1.119 237 L CA 1.385 56.271 54.840 0.076 0.000 0.790 237 L CB -0.267 41.832 42.059 0.065 0.000 0.919 237 L HN 0.428 nan 8.230 nan 0.000 0.443 238 S N -1.724 114.031 115.700 0.093 0.000 2.383 238 S HA -0.269 4.201 4.470 0.001 0.000 0.227 238 S C 2.093 176.760 174.600 0.112 0.000 1.026 238 S CA 1.102 59.355 58.200 0.088 0.000 0.981 238 S CB -1.013 62.233 63.200 0.076 0.000 0.818 238 S HN 0.540 nan 8.310 nan 0.000 0.472 239 Y N 2.866 123.161 120.300 -0.008 0.000 2.163 239 Y HA 0.078 4.628 4.550 0.001 0.000 0.288 239 Y C 1.950 177.827 175.900 -0.039 0.000 1.136 239 Y CA 1.110 59.197 58.100 -0.023 0.000 1.147 239 Y CB -0.696 37.751 38.460 -0.021 0.000 0.987 239 Y HN 0.223 nan 8.280 nan 0.000 0.509 240 L N -0.256 120.857 121.223 -0.184 0.000 2.017 240 L HA -0.215 4.126 4.340 0.001 0.000 0.208 240 L C 2.485 179.194 176.870 -0.269 0.000 1.073 240 L CA 2.092 56.743 54.840 -0.315 0.000 0.745 240 L CB -1.342 40.629 42.059 -0.146 0.000 0.894 240 L HN 0.342 nan 8.230 nan 0.000 0.432 241 T N -2.618 111.848 114.554 -0.146 0.000 2.995 241 T HA 0.011 4.362 4.350 0.001 0.000 0.269 241 T C 1.894 176.470 174.700 -0.206 0.000 1.091 241 T CA 0.738 62.729 62.100 -0.181 0.000 1.128 241 T CB -0.186 68.720 68.868 0.064 0.000 0.891 241 T HN 0.312 nan 8.240 nan 0.000 0.492 242 A N 1.859 124.604 122.820 -0.125 0.000 1.873 242 A HA 0.204 4.524 4.320 0.001 0.000 0.215 242 A C 2.385 179.907 177.584 -0.104 0.000 1.186 242 A CA 1.098 53.093 52.037 -0.071 0.000 0.616 242 A CB -0.844 18.147 19.000 -0.015 0.000 0.823 242 A HN 0.505 nan 8.150 nan 0.000 0.442 243 L N -0.804 120.305 121.223 -0.190 0.000 2.056 243 L HA -0.155 4.186 4.340 0.001 0.000 0.207 243 L C 3.108 179.917 176.870 -0.102 0.000 1.078 243 L CA 0.968 55.721 54.840 -0.144 0.000 0.749 243 L CB -0.564 41.302 42.059 -0.322 0.000 0.901 243 L HN 0.445 nan 8.230 nan 0.000 0.433 244 A N 0.190 122.813 122.820 -0.327 0.000 1.902 244 A HA -0.190 4.130 4.320 0.001 0.000 0.217 244 A C 2.494 179.803 177.584 -0.460 0.000 1.181 244 A CA 1.749 53.471 52.037 -0.524 0.000 0.623 244 A CB -0.682 17.708 19.000 -1.017 0.000 0.818 244 A HN 0.405 nan 8.150 nan 0.000 0.443 245 A N -0.556 122.039 122.820 -0.376 0.000 2.070 245 A HA -0.114 4.207 4.320 0.001 0.000 0.220 245 A C 2.149 179.743 177.584 0.016 0.000 1.159 245 A CA 1.408 53.419 52.037 -0.044 0.000 0.656 245 A CB -0.382 18.645 19.000 0.046 0.000 0.800 245 A HN 0.544 nan 8.150 nan 0.000 0.453 246 R N -1.745 118.768 120.500 0.020 0.000 2.276 246 R HA 0.164 4.504 4.340 0.001 0.000 0.203 246 R C 1.295 177.573 176.300 -0.037 0.000 1.017 246 R CA 0.645 56.787 56.100 0.069 0.000 1.010 246 R CB -0.013 30.423 30.300 0.227 0.000 0.900 246 R HN 0.682 nan 8.270 nan 0.000 0.469 247 G N -0.968 107.798 108.800 -0.057 0.000 2.168 247 G HA2 -0.258 3.702 3.960 0.001 0.000 0.197 247 G HA3 -0.258 3.702 3.960 0.001 0.000 0.197 247 G C -0.304 174.478 174.900 -0.196 0.000 0.997 247 G CA -0.589 44.434 45.100 -0.128 0.000 0.658 247 G HN 0.186 nan 8.290 nan 0.000 0.513 248 Y N -0.226 120.033 120.300 -0.069 0.000 2.301 248 Y HA 0.629 5.180 4.550 0.001 0.000 0.328 248 Y C 1.153 176.985 175.900 -0.112 0.000 1.242 248 Y CA -0.484 57.573 58.100 -0.071 0.000 1.323 248 Y CB 0.703 39.120 38.460 -0.071 0.000 1.266 248 Y HN 0.129 nan 8.280 nan 0.000 0.527 249 L N 3.676 124.924 121.223 0.041 0.000 2.334 249 L HA 0.280 4.621 4.340 0.001 0.000 0.277 249 L C -0.669 176.130 176.870 -0.118 0.000 1.075 249 L CA -0.151 54.624 54.840 -0.109 0.000 0.804 249 L CB 0.529 42.407 42.059 -0.302 0.000 1.174 249 L HN 0.375 nan 8.230 nan 0.000 0.438 250 I N 2.465 122.953 120.570 -0.136 0.000 2.330 250 I HA 0.315 4.486 4.170 0.001 0.000 0.289 250 I C 0.655 176.693 176.117 -0.130 0.000 1.001 250 I CA -0.251 60.969 61.300 -0.134 0.000 1.193 250 I CB 1.059 38.981 38.000 -0.130 0.000 1.345 250 I HN 0.606 nan 8.210 nan 0.000 0.461 251 G N 7.413 116.135 108.800 -0.130 0.000 2.356 251 G HA2 0.545 4.506 3.960 0.001 0.000 0.312 251 G HA3 0.545 4.506 3.960 0.001 0.000 0.312 251 G C -0.262 174.584 174.900 -0.090 0.000 1.096 251 G CA -0.438 44.590 45.100 -0.120 0.000 0.950 251 G HN 0.543 nan 8.290 nan 0.000 0.428 252 L N 3.269 124.462 121.223 -0.050 0.000 2.353 252 L HA 0.284 4.625 4.340 0.001 0.000 0.269 252 L C -0.141 176.729 176.870 0.000 0.000 1.085 252 L CA -0.589 54.243 54.840 -0.012 0.000 0.938 252 L CB 0.784 42.861 42.059 0.030 0.000 1.312 252 L HN 0.699 nan 8.230 nan 0.000 0.429 253 D N -2.272 118.090 120.400 -0.064 0.000 2.571 253 D HA 0.031 4.671 4.640 0.001 0.000 0.239 253 D C 0.796 177.076 176.300 -0.033 0.000 1.267 253 D CA -0.150 53.817 54.000 -0.054 0.000 0.823 253 D CB 0.095 40.790 40.800 -0.174 0.000 1.056 253 D HN 0.407 nan 8.370 nan 0.000 0.494 254 H N 0.347 119.348 119.070 -0.115 0.000 2.662 254 H HA 0.215 4.771 4.556 0.001 0.000 0.268 254 H C 1.315 176.654 175.328 0.019 0.000 1.152 254 H CA -0.439 55.438 56.048 -0.284 0.000 1.072 254 H CB 0.751 30.262 29.762 -0.419 0.000 1.660 254 H HN -0.014 nan 8.280 nan 0.000 0.584 255 I N 1.888 122.580 120.570 0.205 0.000 2.103 255 I HA -0.237 3.934 4.170 0.001 0.000 0.241 255 I C -0.669 175.517 176.117 0.114 0.000 1.036 255 I CA 1.556 62.985 61.300 0.216 0.000 1.300 255 I CB -2.222 35.951 38.000 0.288 0.000 1.010 255 I HN 0.296 nan 8.210 nan 0.000 0.406 256 P HA -0.065 nan 4.420 nan 0.000 0.245 256 P C 0.287 177.477 177.300 -0.184 0.000 1.212 256 P CA 0.725 63.422 63.100 -0.672 0.000 0.774 256 P CB -0.450 30.432 31.700 -1.362 0.000 0.999 257 H N 0.602 119.618 119.070 -0.089 0.000 3.017 257 H HA 0.339 4.895 4.556 0.001 0.000 0.276 257 H C 0.110 175.419 175.328 -0.033 0.000 1.062 257 H CA 0.340 56.342 56.048 -0.076 0.000 1.486 257 H CB 0.457 30.067 29.762 -0.254 0.000 1.507 257 H HN 0.041 nan 8.280 nan 0.000 0.508 258 S N 2.082 117.807 115.700 0.043 0.000 2.563 258 S HA 0.415 4.885 4.470 0.001 0.000 0.279 258 S C -0.183 174.441 174.600 0.039 0.000 1.155 258 S CA -0.309 57.926 58.200 0.058 0.000 0.928 258 S CB 1.103 64.362 63.200 0.098 0.000 1.107 258 S HN 0.688 nan 8.310 nan 0.000 0.462 259 A N 4.763 127.604 122.820 0.035 0.000 2.500 259 A HA 0.454 4.774 4.320 0.001 0.000 0.267 259 A C 0.444 178.049 177.584 0.035 0.000 1.290 259 A CA -0.307 51.750 52.037 0.032 0.000 0.928 259 A CB -0.429 18.588 19.000 0.028 0.000 1.066 259 A HN 0.803 nan 8.150 nan 0.000 0.516 260 I N 0.633 121.227 120.570 0.040 0.000 2.742 260 I HA 0.133 4.304 4.170 0.001 0.000 0.287 260 I C 1.578 177.718 176.117 0.038 0.000 1.186 260 I CA 1.648 62.970 61.300 0.037 0.000 1.417 260 I CB 0.371 38.394 38.000 0.039 0.000 1.377 260 I HN 0.543 nan 8.210 nan 0.000 0.556 261 G N 5.110 113.928 108.800 0.030 0.000 2.225 261 G HA2 -0.302 3.659 3.960 0.001 0.000 0.254 261 G HA3 -0.302 3.659 3.960 0.001 0.000 0.254 261 G C 0.466 175.383 174.900 0.028 0.000 0.988 261 G CA 0.163 45.281 45.100 0.030 0.000 0.625 261 G HN 0.531 nan 8.290 nan 0.000 0.527 262 L N 0.787 122.027 121.223 0.029 0.000 2.808 262 L HA 0.475 4.815 4.340 0.001 0.000 0.246 262 L C 1.755 178.640 176.870 0.024 0.000 1.153 262 L CA 0.811 55.667 54.840 0.027 0.000 0.956 262 L CB 0.361 42.439 42.059 0.031 0.000 1.270 262 L HN 0.291 nan 8.230 nan 0.000 0.528 263 E N -1.050 119.164 120.200 0.022 0.000 2.463 263 E HA -0.214 4.137 4.350 0.001 0.000 0.201 263 E C 1.027 177.636 176.600 0.016 0.000 1.045 263 E CA 0.835 57.246 56.400 0.019 0.000 0.872 263 E CB -0.054 29.657 29.700 0.018 0.000 0.797 263 E HN 0.347 nan 8.360 nan 0.000 0.538 264 D N 0.231 120.639 120.400 0.014 0.000 2.363 264 D HA -0.048 4.592 4.640 0.001 0.000 0.226 264 D C -0.251 176.054 176.300 0.009 0.000 1.020 264 D CA 0.286 54.292 54.000 0.010 0.000 0.892 264 D CB 0.096 40.902 40.800 0.009 0.000 0.900 264 D HN -0.045 nan 8.370 nan 0.000 0.531 265 N N -0.238 118.470 118.700 0.013 0.000 2.511 265 N HA 0.282 5.023 4.740 0.001 0.000 0.249 265 N C 0.539 176.062 175.510 0.021 0.000 0.971 265 N CA -0.245 52.813 53.050 0.013 0.000 0.938 265 N CB 1.312 39.809 38.487 0.016 0.000 1.131 265 N HN -0.070 nan 8.380 nan 0.000 0.505 266 A N 2.863 125.692 122.820 0.014 0.000 1.877 266 A HA -0.140 4.181 4.320 0.001 0.000 0.216 266 A C 1.971 179.581 177.584 0.043 0.000 1.186 266 A CA 2.041 54.090 52.037 0.021 0.000 0.620 266 A CB -0.725 18.279 19.000 0.008 0.000 0.822 266 A HN 0.697 nan 8.150 nan 0.000 0.443 267 S N 0.732 116.455 115.700 0.038 0.000 2.359 267 S HA -0.091 4.380 4.470 0.001 0.000 0.224 267 S C 2.222 176.938 174.600 0.193 0.000 1.035 267 S CA 1.375 59.632 58.200 0.094 0.000 1.018 267 S CB -0.721 62.466 63.200 -0.022 0.000 0.876 267 S HN 0.850 nan 8.310 nan 0.000 0.448 268 A N 1.527 124.417 122.820 0.117 0.000 1.930 268 A HA -0.007 4.313 4.320 0.001 0.000 0.217 268 A C 2.387 180.008 177.584 0.063 0.000 1.175 268 A CA 1.676 53.769 52.037 0.093 0.000 0.627 268 A CB -0.939 18.094 19.000 0.054 0.000 0.815 268 A HN 0.432 nan 8.150 nan 0.000 0.443 269 S N -0.380 115.353 115.700 0.056 0.000 2.368 269 S HA -0.015 4.456 4.470 0.001 0.000 0.224 269 S C 2.312 176.938 174.600 0.044 0.000 1.029 269 S CA 1.109 59.333 58.200 0.041 0.000 0.988 269 S CB -0.399 62.821 63.200 0.034 0.000 0.838 269 S HN 0.778 nan 8.310 nan 0.000 0.462 270 A N 1.284 124.145 122.820 0.067 0.000 1.883 270 A HA -0.041 4.279 4.320 0.001 0.000 0.217 270 A C 2.122 179.738 177.584 0.054 0.000 1.186 270 A CA 1.196 53.276 52.037 0.073 0.000 0.624 270 A CB -0.692 18.381 19.000 0.120 0.000 0.822 270 A HN 0.476 nan 8.150 nan 0.000 0.444 271 L N -0.848 120.404 121.223 0.048 0.000 2.023 271 L HA -0.046 4.295 4.340 0.001 0.000 0.205 271 L C 2.317 179.163 176.870 -0.041 0.000 1.073 271 L CA 1.496 56.307 54.840 -0.049 0.000 0.745 271 L CB -0.249 41.708 42.059 -0.170 0.000 0.900 271 L HN 0.425 nan 8.230 nan 0.000 0.435 272 L N -0.801 120.414 121.223 -0.014 0.000 2.307 272 L HA 0.246 4.586 4.340 0.001 0.000 0.211 272 L C 1.116 177.990 176.870 0.007 0.000 1.099 272 L CA 0.483 55.318 54.840 -0.007 0.000 0.816 272 L CB -0.505 41.546 42.059 -0.013 0.000 0.952 272 L HN 0.452 nan 8.230 nan 0.000 0.455 273 G N 1.251 110.058 108.800 0.012 0.000 2.728 273 G HA2 -0.235 3.725 3.960 0.001 0.000 0.294 273 G HA3 -0.235 3.725 3.960 0.001 0.000 0.294 273 G C -0.036 174.879 174.900 0.026 0.000 1.342 273 G CA -0.138 44.973 45.100 0.019 0.000 0.866 273 G HN 0.341 nan 8.290 nan 0.000 0.534 274 I N -2.941 117.644 120.570 0.025 0.000 3.966 274 I HA 0.507 4.678 4.170 0.001 0.000 0.324 274 I C 0.626 176.756 176.117 0.022 0.000 1.517 274 I CA -0.702 60.612 61.300 0.024 0.000 1.117 274 I CB 0.303 38.314 38.000 0.019 0.000 1.190 274 I HN 0.334 nan 8.210 nan 0.000 0.466 275 R N 1.969 122.486 120.500 0.028 0.000 2.457 275 R HA 0.485 4.825 4.340 0.001 0.000 0.284 275 R C 0.533 176.850 176.300 0.028 0.000 1.024 275 R CA -0.215 55.899 56.100 0.024 0.000 1.025 275 R CB 1.474 31.793 30.300 0.031 0.000 1.063 275 R HN 0.484 nan 8.270 nan 0.000 0.493 276 S N 2.215 117.909 115.700 -0.010 0.000 2.632 276 S HA 0.066 4.537 4.470 0.001 0.000 0.267 276 S C 1.269 175.857 174.600 -0.020 0.000 1.276 276 S CA -0.925 57.248 58.200 -0.046 0.000 0.998 276 S CB 0.543 63.643 63.200 -0.166 0.000 0.953 276 S HN 0.924 nan 8.310 nan 0.000 0.547 277 W N 0.971 122.265 121.300 -0.010 0.000 2.425 277 W HA -0.091 4.570 4.660 0.001 0.000 0.277 277 W C 0.941 177.418 176.519 -0.071 0.000 1.231 277 W CA 0.908 58.252 57.345 -0.001 0.000 1.248 277 W CB -0.986 28.520 29.460 0.077 0.000 1.117 277 W HN 0.637 nan 8.180 nan 0.000 0.568 278 Q N 1.326 120.555 119.800 -0.952 0.000 2.119 278 Q HA -0.096 4.245 4.340 0.001 0.000 0.201 278 Q C 2.344 178.174 176.000 -0.283 0.000 0.972 278 Q CA 3.034 58.234 55.803 -1.006 0.000 0.847 278 Q CB -0.930 27.178 28.738 -1.050 0.000 0.903 278 Q HN 0.126 nan 8.270 nan 0.000 0.433 279 T N 0.576 115.027 114.554 -0.171 0.000 2.652 279 T HA -0.161 4.190 4.350 0.001 0.000 0.267 279 T C 1.680 176.403 174.700 0.038 0.000 1.039 279 T CA 1.504 63.585 62.100 -0.032 0.000 1.153 279 T CB -0.166 68.689 68.868 -0.023 0.000 0.863 279 T HN 0.254 nan 8.240 nan 0.000 0.428 280 R N 1.145 121.684 120.500 0.066 0.000 2.083 280 R HA -0.001 4.339 4.340 0.001 0.000 0.237 280 R C 2.853 179.244 176.300 0.153 0.000 1.137 280 R CA 1.348 57.519 56.100 0.119 0.000 0.951 280 R CB -0.615 29.780 30.300 0.159 0.000 0.851 280 R HN 0.364 nan 8.270 nan 0.000 0.434 281 A N 1.367 124.302 122.820 0.191 0.000 1.940 281 A HA -0.156 4.164 4.320 0.001 0.000 0.219 281 A C 2.179 179.923 177.584 0.267 0.000 1.176 281 A CA 1.346 53.542 52.037 0.264 0.000 0.631 281 A CB -0.588 18.609 19.000 0.328 0.000 0.814 281 A HN 0.200 nan 8.150 nan 0.000 0.446 282 L N -0.670 120.693 121.223 0.232 0.000 2.265 282 L HA -0.145 4.196 4.340 0.001 0.000 0.215 282 L C 2.358 179.306 176.870 0.130 0.000 1.117 282 L CA 0.597 55.554 54.840 0.195 0.000 0.782 282 L CB -0.466 41.689 42.059 0.160 0.000 0.914 282 L HN 0.369 nan 8.230 nan 0.000 0.441 283 L N -0.454 120.838 121.223 0.116 0.000 2.079 283 L HA -0.248 4.093 4.340 0.001 0.000 0.210 283 L C 2.438 179.362 176.870 0.091 0.000 1.081 283 L CA 1.373 56.268 54.840 0.091 0.000 0.752 283 L CB -0.431 41.677 42.059 0.082 0.000 0.896 283 L HN 0.243 nan 8.230 nan 0.000 0.433 284 I N -0.098 120.538 120.570 0.110 0.000 2.163 284 I HA -0.342 3.828 4.170 0.001 0.000 0.243 284 I C 2.683 178.852 176.117 0.087 0.000 1.085 284 I CA 1.520 62.879 61.300 0.099 0.000 1.347 284 I CB -0.402 37.671 38.000 0.121 0.000 1.044 284 I HN 0.240 nan 8.210 nan 0.000 0.408 285 K N 1.529 121.988 120.400 0.097 0.000 2.097 285 K HA -0.178 4.143 4.320 0.001 0.000 0.206 285 K C 2.237 178.869 176.600 0.053 0.000 1.049 285 K CA 1.392 57.718 56.287 0.065 0.000 0.933 285 K CB -0.132 32.401 32.500 0.055 0.000 0.717 285 K HN 0.284 nan 8.250 nan 0.000 0.442 286 A N 1.628 124.487 122.820 0.064 0.000 1.892 286 A HA -0.172 4.149 4.320 0.001 0.000 0.218 286 A C 2.141 179.769 177.584 0.074 0.000 1.188 286 A CA 1.639 53.713 52.037 0.061 0.000 0.631 286 A CB -0.772 18.267 19.000 0.065 0.000 0.822 286 A HN 0.353 nan 8.150 nan 0.000 0.447 287 L N -0.917 120.361 121.223 0.093 0.000 2.083 287 L HA -0.171 4.170 4.340 0.001 0.000 0.209 287 L C 2.504 179.444 176.870 0.116 0.000 1.083 287 L CA 1.136 56.064 54.840 0.146 0.000 0.752 287 L CB -0.494 41.644 42.059 0.131 0.000 0.899 287 L HN 0.387 nan 8.230 nan 0.000 0.433 288 I N -0.202 120.407 120.570 0.064 0.000 2.202 288 I HA -0.288 3.883 4.170 0.001 0.000 0.242 288 I C 2.082 178.193 176.117 -0.011 0.000 1.091 288 I CA 1.194 62.509 61.300 0.025 0.000 1.368 288 I CB -0.307 37.704 38.000 0.018 0.000 1.058 288 I HN 0.238 nan 8.210 nan 0.000 0.410 289 D N 0.519 120.920 120.400 0.002 0.000 2.221 289 D HA -0.187 4.453 4.640 0.001 0.000 0.204 289 D C 1.941 178.214 176.300 -0.045 0.000 0.982 289 D CA 1.058 55.048 54.000 -0.017 0.000 0.857 289 D CB -0.204 40.596 40.800 -0.001 0.000 0.934 289 D HN 0.455 nan 8.370 nan 0.000 0.475 290 Q N -0.692 119.082 119.800 -0.043 0.000 2.403 290 Q HA 0.191 4.532 4.340 0.001 0.000 0.203 290 Q C 1.183 176.949 176.000 -0.391 0.000 0.932 290 Q CA 0.642 56.372 55.803 -0.121 0.000 0.945 290 Q CB 0.941 29.699 28.738 0.034 0.000 1.045 290 Q HN 0.316 nan 8.270 nan 0.000 0.511 291 G N 0.890 109.487 108.800 -0.339 0.000 2.141 291 G HA2 -0.265 3.696 3.960 0.001 0.000 0.231 291 G HA3 -0.265 3.696 3.960 0.001 0.000 0.231 291 G C -0.101 174.476 174.900 -0.539 0.000 0.984 291 G CA -0.232 44.618 45.100 -0.418 0.000 0.660 291 G HN 0.346 nan 8.290 nan 0.000 0.525 292 Y N 0.614 120.907 120.300 -0.011 0.000 2.811 292 Y HA 0.387 4.938 4.550 0.001 0.000 0.330 292 Y C 2.330 178.218 175.900 -0.020 0.000 1.081 292 Y CA 0.126 58.217 58.100 -0.015 0.000 1.408 292 Y CB -0.373 38.077 38.460 -0.017 0.000 1.235 292 Y HN 0.503 nan 8.280 nan 0.000 0.529 293 M N -0.917 118.717 119.600 0.057 0.000 2.159 293 M HA -0.181 4.300 4.480 0.001 0.000 0.263 293 M C 1.181 177.501 176.300 0.032 0.000 1.063 293 M CA 1.905 57.226 55.300 0.035 0.000 1.110 293 M CB -0.238 32.362 32.600 0.000 0.000 1.374 293 M HN 0.087 nan 8.290 nan 0.000 0.411 294 K N 0.307 120.730 120.400 0.040 0.000 2.442 294 K HA -0.034 4.287 4.320 0.001 0.000 0.198 294 K C 1.286 177.901 176.600 0.025 0.000 1.042 294 K CA 0.727 57.030 56.287 0.027 0.000 0.958 294 K CB 0.058 32.575 32.500 0.029 0.000 0.766 294 K HN 0.581 nan 8.250 nan 0.000 0.474 295 Q N 0.081 119.910 119.800 0.048 0.000 2.219 295 Q HA 0.225 4.566 4.340 0.001 0.000 0.209 295 Q C 0.256 176.232 176.000 -0.041 0.000 0.854 295 Q CA 0.178 55.981 55.803 0.000 0.000 0.960 295 Q CB 0.597 29.339 28.738 0.006 0.000 1.116 295 Q HN 0.286 nan 8.270 nan 0.000 0.500 296 I N 1.266 121.821 120.570 -0.025 0.000 2.437 296 I HA 0.352 4.522 4.170 0.001 0.000 0.298 296 I C -0.385 175.688 176.117 -0.073 0.000 0.984 296 I CA -0.736 60.539 61.300 -0.042 0.000 1.214 296 I CB 1.377 39.376 38.000 -0.002 0.000 1.365 296 I HN -0.117 nan 8.210 nan 0.000 0.469 297 L N 6.567 127.735 121.223 -0.093 0.000 2.409 297 L HA 0.567 4.907 4.340 0.001 0.000 0.272 297 L C -0.647 176.199 176.870 -0.040 0.000 0.980 297 L CA -0.912 53.870 54.840 -0.096 0.000 0.826 297 L CB 2.064 44.006 42.059 -0.194 0.000 1.268 297 L HN 0.368 nan 8.230 nan 0.000 0.407 298 V N -0.257 119.661 119.914 0.006 0.000 2.667 298 V HA 0.912 5.033 4.120 0.001 0.000 0.308 298 V C -0.296 175.859 176.094 0.101 0.000 1.048 298 V CA -0.181 62.153 62.300 0.055 0.000 0.928 298 V CB 1.846 33.716 31.823 0.079 0.000 1.004 298 V HN 0.774 nan 8.190 nan 0.000 0.444 299 S N 1.281 117.051 115.700 0.116 0.000 2.672 299 S HA 0.516 4.987 4.470 0.001 0.000 0.271 299 S C 0.029 174.732 174.600 0.172 0.000 1.171 299 S CA -0.451 57.841 58.200 0.154 0.000 0.817 299 S CB 2.041 65.335 63.200 0.158 0.000 1.150 299 S HN 0.906 nan 8.310 nan 0.000 0.478 300 N N 0.718 119.542 118.700 0.207 0.000 2.348 300 N HA 0.089 4.830 4.740 0.001 0.000 0.183 300 N C -0.732 175.024 175.510 0.410 0.000 1.094 300 N CA 0.276 53.479 53.050 0.255 0.000 0.885 300 N CB 0.121 38.731 38.487 0.205 0.000 1.065 300 N HN 0.728 nan 8.380 nan 0.000 0.472 301 D N 0.045 120.655 120.400 0.350 0.000 2.723 301 D HA -0.180 4.461 4.640 0.001 0.000 0.236 301 D C -0.553 176.026 176.300 0.464 0.000 1.138 301 D CA 0.390 54.642 54.000 0.421 0.000 0.676 301 D CB -1.139 39.823 40.800 0.270 0.000 1.069 301 D HN 0.378 nan 8.370 nan 0.000 0.430 302 W N -0.556 120.796 121.300 0.088 0.000 2.260 302 W HA 0.552 5.212 4.660 0.001 0.000 0.366 302 W C 0.052 176.438 176.519 -0.221 0.000 1.315 302 W CA -0.593 56.687 57.345 -0.109 0.000 1.458 302 W CB 0.718 30.055 29.460 -0.205 0.000 1.255 302 W HN 0.041 nan 8.180 nan 0.000 0.671 303 L N -0.731 120.031 121.223 -0.768 0.000 2.838 303 L HA 0.414 4.755 4.340 0.001 0.000 0.266 303 L C -0.696 175.642 176.870 -0.886 0.000 1.040 303 L CA -0.646 53.772 54.840 -0.704 0.000 0.906 303 L CB 0.630 42.374 42.059 -0.525 0.000 1.501 303 L HN 0.305 nan 8.230 nan 0.000 0.407 304 F N -0.605 119.318 119.950 -0.045 0.000 2.724 304 F HA 0.717 5.244 4.527 0.001 0.000 0.306 304 F C 1.081 176.902 175.800 0.035 0.000 1.100 304 F CA -0.082 57.929 58.000 0.018 0.000 1.255 304 F CB 1.144 40.164 39.000 0.034 0.000 1.072 304 F HN 0.685 nan 8.300 nan 0.000 0.589 305 G N -0.337 108.550 108.800 0.144 0.000 2.706 305 G HA2 0.515 4.476 3.960 0.001 0.000 0.297 305 G HA3 0.515 4.476 3.960 0.001 0.000 0.297 305 G C -2.128 172.977 174.900 0.343 0.000 1.403 305 G CA -0.401 44.866 45.100 0.278 0.000 0.954 305 G HN -0.163 nan 8.290 nan 0.000 0.500 306 F N 2.490 122.649 119.950 0.349 0.000 3.228 306 F HA 0.374 4.901 4.527 0.001 0.000 0.385 306 F C 0.838 176.757 175.800 0.199 0.000 1.247 306 F CA -1.574 56.519 58.000 0.155 0.000 1.211 306 F CB 1.457 40.458 39.000 0.002 0.000 1.719 306 F HN 0.481 nan 8.300 nan 0.000 0.630 307 S N 0.578 116.497 115.700 0.364 0.000 2.503 307 S HA -0.010 4.461 4.470 0.001 0.000 0.215 307 S C 1.310 175.715 174.600 -0.325 0.000 1.003 307 S CA 0.656 58.699 58.200 -0.262 0.000 0.910 307 S CB -0.241 62.337 63.200 -1.037 0.000 0.790 307 S HN 0.492 nan 8.310 nan 0.000 0.514 308 S N 0.190 115.889 115.700 -0.001 0.000 2.840 308 S HA 0.332 4.803 4.470 0.001 0.000 0.235 308 S C -0.259 174.414 174.600 0.121 0.000 0.968 308 S CA -0.545 57.691 58.200 0.060 0.000 1.026 308 S CB -0.795 62.538 63.200 0.222 0.000 0.788 308 S HN 0.595 nan 8.310 nan 0.000 0.487 309 Y N 0.358 120.436 120.300 -0.370 0.000 2.974 309 Y HA 0.531 5.081 4.550 0.001 0.000 0.310 309 Y C -0.312 175.396 175.900 -0.320 0.000 1.551 309 Y CA -1.698 56.138 58.100 -0.440 0.000 1.084 309 Y CB 0.884 38.772 38.460 -0.952 0.000 1.446 309 Y HN 0.138 nan 8.280 nan 0.000 0.472 310 V N 0.767 120.216 119.914 -0.775 0.000 2.999 310 V HA 0.264 4.385 4.120 0.001 0.000 0.307 310 V C 0.029 175.986 176.094 -0.229 0.000 1.084 310 V CA -0.358 61.657 62.300 -0.476 0.000 1.155 310 V CB -0.098 31.420 31.823 -0.508 0.000 0.975 310 V HN 0.737 nan 8.190 nan 0.000 0.490 311 T N 4.902 119.379 114.554 -0.130 0.000 2.928 311 T HA 0.193 4.544 4.350 0.001 0.000 0.305 311 T C 0.906 175.536 174.700 -0.116 0.000 1.035 311 T CA 1.143 63.197 62.100 -0.078 0.000 1.145 311 T CB -0.366 68.465 68.868 -0.062 0.000 0.963 311 T HN 1.136 nan 8.240 nan 0.000 0.545 312 N N -0.452 118.169 118.700 -0.132 0.000 2.965 312 N HA -0.187 4.554 4.740 0.001 0.000 0.232 312 N C 0.833 176.307 175.510 -0.058 0.000 0.913 312 N CA 0.549 53.538 53.050 -0.101 0.000 0.981 312 N CB -1.338 37.094 38.487 -0.092 0.000 1.077 312 N HN 0.550 nan 8.380 nan 0.000 0.589 313 I N 0.697 121.227 120.570 -0.067 0.000 2.315 313 I HA -0.214 3.957 4.170 0.001 0.000 0.251 313 I C 2.002 178.124 176.117 0.009 0.000 1.125 313 I CA 1.620 62.902 61.300 -0.030 0.000 1.392 313 I CB -0.139 37.821 38.000 -0.066 0.000 1.065 313 I HN 0.323 nan 8.210 nan 0.000 0.424 314 M N -0.440 119.176 119.600 0.027 0.000 2.117 314 M HA -0.208 4.273 4.480 0.001 0.000 0.262 314 M C 1.855 178.187 176.300 0.053 0.000 1.065 314 M CA 1.641 56.975 55.300 0.057 0.000 1.114 314 M CB -0.987 31.672 32.600 0.099 0.000 1.361 314 M HN 0.286 nan 8.290 nan 0.000 0.408 315 D N 0.015 120.436 120.400 0.034 0.000 2.123 315 D HA -0.138 4.502 4.640 0.001 0.000 0.196 315 D C 2.066 178.394 176.300 0.046 0.000 0.992 315 D CA 1.271 55.293 54.000 0.037 0.000 0.833 315 D CB -0.173 40.632 40.800 0.009 0.000 0.954 315 D HN 0.192 nan 8.370 nan 0.000 0.455 316 V N 1.128 121.062 119.914 0.033 0.000 2.427 316 V HA -0.222 3.898 4.120 0.001 0.000 0.248 316 V C 2.536 178.667 176.094 0.061 0.000 1.051 316 V CA 1.248 63.571 62.300 0.039 0.000 1.048 316 V CB -0.336 31.503 31.823 0.027 0.000 0.666 316 V HN 0.199 nan 8.190 nan 0.000 0.456 317 M N -0.567 119.066 119.600 0.055 0.000 2.132 317 M HA -0.142 4.338 4.480 0.001 0.000 0.263 317 M C 1.977 178.455 176.300 0.296 0.000 1.065 317 M CA 1.629 56.984 55.300 0.091 0.000 1.122 317 M CB -0.611 31.885 32.600 -0.173 0.000 1.365 317 M HN 0.290 nan 8.290 nan 0.000 0.411 318 D N 0.052 120.595 120.400 0.238 0.000 2.178 318 D HA -0.160 4.481 4.640 0.001 0.000 0.201 318 D C 1.935 178.335 176.300 0.166 0.000 0.980 318 D CA 1.111 55.273 54.000 0.271 0.000 0.842 318 D CB -0.331 40.590 40.800 0.202 0.000 0.948 318 D HN 0.342 nan 8.370 nan 0.000 0.472 319 R N 0.496 121.068 120.500 0.119 0.000 2.090 319 R HA -0.052 4.289 4.340 0.001 0.000 0.228 319 R C 2.018 178.360 176.300 0.069 0.000 1.110 319 R CA 0.688 56.834 56.100 0.078 0.000 0.973 319 R CB -0.070 30.266 30.300 0.059 0.000 0.869 319 R HN -0.031 nan 8.270 nan 0.000 0.440 320 V N 0.959 120.925 119.914 0.087 0.000 2.427 320 V HA -0.133 3.988 4.120 0.001 0.000 0.248 320 V C 0.568 176.662 176.094 0.000 0.000 1.051 320 V CA 1.620 63.956 62.300 0.061 0.000 1.048 320 V CB -0.488 31.382 31.823 0.078 0.000 0.666 320 V HN 0.444 nan 8.190 nan 0.000 0.456 321 N N -0.409 118.280 118.700 -0.019 0.000 2.725 321 N HA 0.238 4.979 4.740 0.001 0.000 0.248 321 N C -1.971 173.399 175.510 -0.233 0.000 1.402 321 N CA -1.531 51.357 53.050 -0.271 0.000 0.766 321 N CB 1.428 39.425 38.487 -0.816 0.000 1.223 321 N HN -0.015 nan 8.380 nan 0.000 0.515 322 P HA -0.078 nan 4.420 nan 0.000 0.219 322 P C 0.186 177.439 177.300 -0.078 0.000 1.146 322 P CA 1.118 64.200 63.100 -0.030 0.000 0.808 322 P CB 0.384 32.081 31.700 -0.005 0.000 0.779 323 D N -0.873 119.445 120.400 -0.137 0.000 2.347 323 D HA 0.025 4.665 4.640 0.001 0.000 0.215 323 D C 1.686 177.844 176.300 -0.236 0.000 0.976 323 D CA 1.132 55.050 54.000 -0.137 0.000 0.884 323 D CB -0.313 40.427 40.800 -0.100 0.000 0.915 323 D HN 0.133 nan 8.370 nan 0.000 0.526 324 G N 1.779 110.266 108.800 -0.522 0.000 2.634 324 G HA2 -0.412 3.549 3.960 0.001 0.000 0.309 324 G HA3 -0.412 3.549 3.960 0.001 0.000 0.309 324 G C 1.058 175.575 174.900 -0.638 0.000 1.265 324 G CA 0.655 45.221 45.100 -0.889 0.000 0.998 324 G HN 0.279 nan 8.290 nan 0.000 0.551 325 M N 1.281 120.744 119.600 -0.229 0.000 2.549 325 M HA 0.137 4.618 4.480 0.001 0.000 0.260 325 M C 2.641 178.909 176.300 -0.053 0.000 1.076 325 M CA 1.469 56.735 55.300 -0.057 0.000 1.090 325 M CB -0.112 32.538 32.600 0.083 0.000 1.418 325 M HN 0.652 nan 8.290 nan 0.000 0.486 326 A N -0.621 122.149 122.820 -0.083 0.000 2.238 326 A HA -0.016 4.305 4.320 0.001 0.000 0.208 326 A C 1.735 179.256 177.584 -0.104 0.000 1.177 326 A CA 0.047 52.025 52.037 -0.099 0.000 0.804 326 A CB -0.809 18.130 19.000 -0.101 0.000 0.823 326 A HN 0.503 nan 8.150 nan 0.000 0.482 327 F N 0.963 120.752 119.950 -0.270 0.000 2.095 327 F HA -0.247 4.281 4.527 0.001 0.000 0.298 327 F C 1.903 177.565 175.800 -0.230 0.000 1.104 327 F CA 1.762 59.572 58.000 -0.316 0.000 1.232 327 F CB -0.008 38.735 39.000 -0.429 0.000 0.987 327 F HN 0.199 nan 8.300 nan 0.000 0.475 328 I N 1.547 122.157 120.570 0.067 0.000 2.099 328 I HA -0.226 3.944 4.170 0.001 0.000 0.239 328 I C -0.298 175.814 176.117 -0.008 0.000 1.066 328 I CA 1.918 63.257 61.300 0.064 0.000 1.324 328 I CB -2.978 35.151 38.000 0.215 0.000 1.037 328 I HN 0.137 nan 8.210 nan 0.000 0.401 329 P HA -0.088 nan 4.420 nan 0.000 0.219 329 P C 2.264 179.526 177.300 -0.063 0.000 1.150 329 P CA 1.379 64.510 63.100 0.051 0.000 0.814 329 P CB -0.002 31.675 31.700 -0.038 0.000 0.787 330 L N -1.135 119.988 121.223 -0.167 0.000 2.131 330 L HA 0.002 4.343 4.340 0.001 0.000 0.206 330 L C 2.797 179.499 176.870 -0.280 0.000 1.087 330 L CA 1.328 56.049 54.840 -0.198 0.000 0.767 330 L CB -0.385 41.544 42.059 -0.217 0.000 0.917 330 L HN -0.091 nan 8.230 nan 0.000 0.441 331 R N -1.398 118.790 120.500 -0.519 0.000 2.140 331 R HA 0.071 4.412 4.340 0.001 0.000 0.200 331 R C 2.154 178.198 176.300 -0.426 0.000 1.069 331 R CA 0.361 56.058 56.100 -0.672 0.000 1.088 331 R CB -0.104 29.358 30.300 -1.397 0.000 1.012 331 R HN 0.033 nan 8.270 nan 0.000 0.500 332 V N 1.971 121.635 119.914 -0.418 0.000 2.307 332 V HA -0.204 3.917 4.120 0.001 0.000 0.245 332 V C 2.306 178.496 176.094 0.160 0.000 1.045 332 V CA 1.435 63.725 62.300 -0.017 0.000 1.024 332 V CB -0.353 31.501 31.823 0.051 0.000 0.651 332 V HN 0.179 nan 8.190 nan 0.000 0.449 333 I N 0.306 120.924 120.570 0.081 0.000 2.208 333 I HA -0.122 4.049 4.170 0.001 0.000 0.245 333 I C 0.047 176.225 176.117 0.103 0.000 1.097 333 I CA 1.633 62.992 61.300 0.098 0.000 1.363 333 I CB -2.695 35.357 38.000 0.087 0.000 1.051 333 I HN 0.344 nan 8.210 nan 0.000 0.413 334 P HA -0.145 nan 4.420 nan 0.000 0.220 334 P C 2.030 179.417 177.300 0.144 0.000 1.152 334 P CA 1.049 64.203 63.100 0.090 0.000 0.812 334 P CB -0.188 31.548 31.700 0.060 0.000 0.792 335 F N 0.588 120.584 119.950 0.076 0.000 2.102 335 F HA -0.157 4.371 4.527 0.001 0.000 0.298 335 F C 1.945 177.798 175.800 0.087 0.000 1.105 335 F CA 1.536 59.613 58.000 0.129 0.000 1.239 335 F CB -0.958 38.217 39.000 0.291 0.000 0.991 335 F HN -0.277 nan 8.300 nan 0.000 0.474 336 L N -0.306 121.011 121.223 0.156 0.000 2.141 336 L HA -0.173 4.167 4.340 0.001 0.000 0.209 336 L C 2.620 179.458 176.870 -0.052 0.000 1.094 336 L CA 0.826 55.678 54.840 0.020 0.000 0.763 336 L CB -0.638 41.497 42.059 0.127 0.000 0.908 336 L HN 0.058 nan 8.230 nan 0.000 0.437 337 R N 0.954 121.445 120.500 -0.014 0.000 2.073 337 R HA -0.154 4.186 4.340 0.001 0.000 0.234 337 R C 1.979 178.241 176.300 -0.063 0.000 1.134 337 R CA 1.573 57.658 56.100 -0.024 0.000 0.952 337 R CB -0.462 29.840 30.300 0.003 0.000 0.850 337 R HN 0.389 nan 8.270 nan 0.000 0.433 338 E N -0.169 119.978 120.200 -0.089 0.000 2.265 338 E HA -0.127 4.224 4.350 0.001 0.000 0.196 338 E C 1.230 177.719 176.600 -0.184 0.000 0.996 338 E CA 0.681 57.011 56.400 -0.117 0.000 0.832 338 E CB 0.134 29.763 29.700 -0.119 0.000 0.756 338 E HN -0.004 nan 8.360 nan 0.000 0.491 339 K N -0.697 119.546 120.400 -0.262 0.000 2.444 339 K HA 0.078 4.398 4.320 0.001 0.000 0.193 339 K C 1.008 177.524 176.600 -0.141 0.000 1.024 339 K CA 0.584 56.712 56.287 -0.265 0.000 1.077 339 K CB 0.901 33.180 32.500 -0.368 0.000 0.833 339 K HN 0.268 nan 8.250 nan 0.000 0.517 340 G N -0.055 108.684 108.800 -0.102 0.000 2.201 340 G HA2 -0.219 3.741 3.960 0.001 0.000 0.212 340 G HA3 -0.219 3.741 3.960 0.001 0.000 0.212 340 G C 0.022 174.895 174.900 -0.046 0.000 0.994 340 G CA -0.023 45.038 45.100 -0.065 0.000 0.644 340 G HN 0.072 nan 8.290 nan 0.000 0.508 341 V N 2.967 122.855 119.914 -0.044 0.000 2.572 341 V HA 0.401 4.521 4.120 0.001 0.000 0.291 341 V C -1.453 174.629 176.094 -0.020 0.000 1.039 341 V CA -1.038 61.248 62.300 -0.024 0.000 1.055 341 V CB 1.129 32.947 31.823 -0.009 0.000 0.969 341 V HN 0.165 nan 8.190 nan 0.000 0.482 342 P HA 0.143 nan 4.420 nan 0.000 0.271 342 P C 0.416 177.708 177.300 -0.014 0.000 1.216 342 P CA -0.182 62.908 63.100 -0.016 0.000 0.771 342 P CB 0.760 32.449 31.700 -0.017 0.000 0.864 343 Q N 2.655 122.449 119.800 -0.011 0.000 2.112 343 Q HA -0.255 4.085 4.340 0.001 0.000 0.206 343 Q C 1.547 177.537 176.000 -0.016 0.000 0.987 343 Q CA 2.047 57.844 55.803 -0.009 0.000 0.858 343 Q CB -0.470 28.265 28.738 -0.004 0.000 0.905 343 Q HN 0.491 nan 8.270 nan 0.000 0.420 344 E N -1.260 118.930 120.200 -0.017 0.000 2.160 344 E HA -0.176 4.175 4.350 0.001 0.000 0.195 344 E C 1.889 178.473 176.600 -0.027 0.000 0.991 344 E CA 1.497 57.885 56.400 -0.020 0.000 0.810 344 E CB -0.069 29.620 29.700 -0.017 0.000 0.742 344 E HN 0.402 nan 8.360 nan 0.000 0.466 345 T N 1.472 116.011 114.554 -0.024 0.000 2.821 345 T HA -0.092 4.259 4.350 0.001 0.000 0.267 345 T C 1.937 176.616 174.700 -0.035 0.000 1.046 345 T CA 0.726 62.810 62.100 -0.026 0.000 1.139 345 T CB -0.112 68.745 68.868 -0.019 0.000 0.871 345 T HN 0.104 nan 8.240 nan 0.000 0.454 346 L N 0.769 121.971 121.223 -0.035 0.000 2.083 346 L HA -0.058 4.283 4.340 0.001 0.000 0.209 346 L C 3.040 179.848 176.870 -0.104 0.000 1.083 346 L CA 1.204 56.013 54.840 -0.052 0.000 0.752 346 L CB -0.708 41.336 42.059 -0.026 0.000 0.899 346 L HN 0.230 nan 8.230 nan 0.000 0.433 347 A N 0.429 123.198 122.820 -0.085 0.000 1.930 347 A HA -0.060 4.261 4.320 0.001 0.000 0.217 347 A C 2.420 179.940 177.584 -0.107 0.000 1.175 347 A CA 1.518 53.490 52.037 -0.107 0.000 0.627 347 A CB -1.097 17.869 19.000 -0.057 0.000 0.815 347 A HN 0.424 nan 8.150 nan 0.000 0.443 348 G N 0.170 108.926 108.800 -0.072 0.000 2.421 348 G HA2 -0.182 3.778 3.960 0.001 0.000 0.216 348 G HA3 -0.182 3.778 3.960 0.001 0.000 0.216 348 G C 1.512 176.368 174.900 -0.072 0.000 1.171 348 G CA 1.131 46.197 45.100 -0.057 0.000 0.775 348 G HN 0.467 nan 8.290 nan 0.000 0.543 349 I N 1.462 121.983 120.570 -0.083 0.000 2.226 349 I HA -0.156 4.015 4.170 0.001 0.000 0.245 349 I C 3.056 179.090 176.117 -0.139 0.000 1.100 349 I CA 1.766 63.014 61.300 -0.087 0.000 1.374 349 I CB -0.241 37.719 38.000 -0.066 0.000 1.057 349 I HN 0.344 nan 8.210 nan 0.000 0.413 350 T N -3.161 111.239 114.554 -0.257 0.000 3.067 350 T HA 0.125 4.475 4.350 0.001 0.000 0.257 350 T C 1.419 175.918 174.700 -0.336 0.000 1.105 350 T CA 0.424 62.245 62.100 -0.465 0.000 1.104 350 T CB 0.183 68.374 68.868 -1.129 0.000 0.925 350 T HN 0.119 nan 8.240 nan 0.000 0.498 351 V N 0.730 120.528 119.914 -0.193 0.000 2.950 351 V HA 0.057 4.177 4.120 0.001 0.000 0.231 351 V C 2.789 178.865 176.094 -0.029 0.000 1.205 351 V CA 1.139 63.392 62.300 -0.079 0.000 1.239 351 V CB -0.239 31.549 31.823 -0.058 0.000 1.050 351 V HN 0.370 nan 8.190 nan 0.000 0.498 352 T N 1.124 115.657 114.554 -0.035 0.000 2.674 352 T HA -0.154 4.197 4.350 0.001 0.000 0.265 352 T C 1.784 176.486 174.700 0.004 0.000 1.039 352 T CA 1.925 64.018 62.100 -0.012 0.000 1.150 352 T CB -0.338 68.520 68.868 -0.016 0.000 0.864 352 T HN 0.332 nan 8.240 nan 0.000 0.427 353 N N 1.578 120.274 118.700 -0.007 0.000 2.043 353 N HA -0.063 4.678 4.740 0.001 0.000 0.193 353 N C -0.953 174.589 175.510 0.053 0.000 1.037 353 N CA 1.311 54.365 53.050 0.007 0.000 0.851 353 N CB -1.596 36.874 38.487 -0.027 0.000 1.027 353 N HN 0.323 nan 8.380 nan 0.000 0.422 354 P HA -0.053 nan 4.420 nan 0.000 0.216 354 P C 1.004 178.386 177.300 0.136 0.000 1.150 354 P CA 1.560 64.734 63.100 0.124 0.000 0.837 354 P CB -0.109 31.651 31.700 0.100 0.000 0.786 355 A N -0.119 122.747 122.820 0.076 0.000 1.902 355 A HA -0.209 4.112 4.320 0.001 0.000 0.217 355 A C 2.460 180.073 177.584 0.048 0.000 1.181 355 A CA 1.662 53.728 52.037 0.050 0.000 0.623 355 A CB -1.191 17.826 19.000 0.029 0.000 0.818 355 A HN 0.027 nan 8.150 nan 0.000 0.443 356 R N -1.903 118.634 120.500 0.062 0.000 2.066 356 R HA -0.123 4.218 4.340 0.001 0.000 0.232 356 R C 1.983 178.342 176.300 0.098 0.000 1.131 356 R CA 1.671 57.806 56.100 0.058 0.000 0.955 356 R CB -0.428 29.906 30.300 0.056 0.000 0.851 356 R HN 0.498 nan 8.270 nan 0.000 0.432 357 F N 1.337 121.270 119.950 -0.029 0.000 2.069 357 F HA -0.165 4.363 4.527 0.001 0.000 0.298 357 F C 1.736 177.512 175.800 -0.040 0.000 1.113 357 F CA 1.546 59.525 58.000 -0.035 0.000 1.214 357 F CB -0.436 38.548 39.000 -0.028 0.000 0.978 357 F HN -0.020 nan 8.300 nan 0.000 0.474 358 L N -0.420 120.765 121.223 -0.065 0.000 2.141 358 L HA -0.116 4.224 4.340 0.001 0.000 0.209 358 L C 1.156 177.929 176.870 -0.162 0.000 1.094 358 L CA 0.468 55.194 54.840 -0.189 0.000 0.763 358 L CB -0.953 41.065 42.059 -0.068 0.000 0.908 358 L HN -0.084 nan 8.230 nan 0.000 0.437 359 S N 0.936 116.579 115.700 -0.095 0.000 2.546 359 S HA 0.097 4.567 4.470 0.001 0.000 0.290 359 S C -2.123 172.413 174.600 -0.107 0.000 1.262 359 S CA -0.958 57.193 58.200 -0.082 0.000 1.083 359 S CB 0.253 63.424 63.200 -0.049 0.000 0.859 359 S HN -0.005 nan 8.310 nan 0.000 0.495 360 P HA 0.144 nan 4.420 nan 0.000 0.263 360 P C -0.779 176.473 177.300 -0.081 0.000 1.195 360 P CA 0.050 63.088 63.100 -0.103 0.000 0.762 360 P CB 0.306 31.954 31.700 -0.087 0.000 0.799 361 T N 4.249 118.752 114.554 -0.085 0.000 2.937 361 T HA 0.394 4.745 4.350 0.001 0.000 0.297 361 T C -0.489 174.177 174.700 -0.057 0.000 0.991 361 T CA -0.520 61.542 62.100 -0.063 0.000 0.990 361 T CB 0.642 69.474 68.868 -0.061 0.000 0.991 361 T HN -0.017 nan 8.240 nan 0.000 0.440 362 L N 2.879 124.076 121.223 -0.044 0.000 2.334 362 L HA 0.724 5.065 4.340 0.001 0.000 0.277 362 L C 1.215 178.067 176.870 -0.030 0.000 1.075 362 L CA -0.287 54.532 54.840 -0.036 0.000 0.804 362 L CB 0.216 42.258 42.059 -0.029 0.000 1.174 362 L HN 0.879 nan 8.230 nan 0.000 0.438 363 R N 0.000 120.484 120.500 -0.027 0.000 2.786 363 R HA 0.000 4.341 4.340 0.001 0.000 0.208 363 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 363 R CB 0.000 30.288 30.300 -0.019 0.000 0.687 363 R HN 0.000 nan 8.270 nan 0.000 0.535