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 2wwa_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSGFRLIDIV KPILPILPEV ELPFEKLPFD DKIVYTIFAG LIYLFAQFPL DATA SEQUENCE VGLPKATTPN VNDPIYFLRG VFGCEPRTLL EFGLFPNISS GLILQLLAGL DATA SEQUENCE KVIKVNFKIQ SDRELFQSLT KVFAIVQYVI LTNIFIFAGY FGDDLSVVQI DATA SEQUENCE GLINFQLVGA GIFTTLLAEV IDKGFGFSSG AMIINTVVIA TNLVADTFGV DATA SEQUENCE SQIKVGEDDQ TEAQGALINL IQGLRSKHKT FIGGIISAFN RDYLPNLTTT DATA SEQUENCE IIVLAIAIIV CYLQSVRVEL PIRSTRARGT NNVYPIKLLY TGCLSVLFSY DATA SEQUENCE TILFYIHIFA FVLIQLVAKN EPTHIICKIM GHYENANNLL AVPTFPLSLL DATA SEQUENCE APPTSFFKGV TQQPLTFITY SAFILVTGIW FADKWQAISG SSARDVALEF DATA SEQUENCE KDQGITLMGR REQNVAKELN KVIPIAAVTG ASVLSLITVI GESLGLKGKA DATA SEQUENCE AGIVVGIAGG FSLLEVITIE YQQSGGQSAL NQVLGVPGAM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.297 176.300 -0.005 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 S N -1.089 114.611 115.700 -0.000 0.000 4.471 2 S HA 0.678 5.148 4.470 -0.000 0.000 0.191 2 S C 0.930 175.531 174.600 0.001 0.000 1.128 2 S CA 0.521 58.718 58.200 -0.004 0.000 1.153 2 S CB 0.015 63.222 63.200 0.011 0.000 1.583 2 S HN 1.840 nan 8.310 nan 0.000 0.590 3 G N 2.472 111.293 108.800 0.034 0.000 2.574 3 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.282 3 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.282 3 G C -0.480 174.500 174.900 0.134 0.000 1.257 3 G CA 0.468 45.610 45.100 0.069 0.000 0.956 3 G HN 1.214 nan 8.290 nan 0.000 0.560 4 F N 2.313 122.263 119.950 -0.000 0.000 2.500 4 F HA 0.781 5.307 4.527 -0.000 0.000 0.349 4 F C 0.165 175.965 175.800 -0.001 0.000 1.127 4 F CA -0.835 57.165 58.000 -0.000 0.000 0.998 4 F CB 1.023 40.023 39.000 -0.000 0.000 1.237 4 F HN 0.567 nan 8.300 nan 0.000 0.439 5 R N 4.903 125.149 120.500 -0.423 0.000 2.710 5 R HA 0.463 4.802 4.340 -0.000 0.000 0.270 5 R C -2.109 173.964 176.300 -0.378 0.000 1.021 5 R CA -0.961 54.976 56.100 -0.272 0.000 0.889 5 R CB 2.248 32.474 30.300 -0.124 0.000 1.243 5 R HN 0.579 nan 8.270 nan 0.000 0.464 6 L N 4.655 125.736 121.223 -0.237 0.000 2.295 6 L HA 0.596 4.935 4.340 -0.000 0.000 0.281 6 L C -0.557 176.243 176.870 -0.118 0.000 1.018 6 L CA -0.279 54.445 54.840 -0.193 0.000 0.841 6 L CB 0.068 42.044 42.059 -0.138 0.000 1.218 6 L HN 0.665 nan 8.230 nan 0.000 0.424 7 I N 1.238 121.743 120.570 -0.108 0.000 3.181 7 I HA 0.621 4.791 4.170 -0.000 0.000 0.311 7 I C -0.882 175.198 176.117 -0.061 0.000 1.287 7 I CA -0.725 60.533 61.300 -0.070 0.000 0.958 7 I CB 2.618 40.582 38.000 -0.061 0.000 1.294 7 I HN 0.437 nan 8.210 nan 0.000 0.467 8 D N 0.882 121.258 120.400 -0.040 0.000 2.520 8 D HA 0.218 4.858 4.640 -0.000 0.000 0.386 8 D C -0.084 176.205 176.300 -0.018 0.000 1.267 8 D CA -0.239 53.743 54.000 -0.030 0.000 0.958 8 D CB 0.185 40.969 40.800 -0.025 0.000 1.462 8 D HN 0.568 nan 8.370 nan 0.000 0.438 9 I N 1.461 122.020 120.570 -0.017 0.000 2.581 9 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 9 I C -0.320 175.790 176.117 -0.011 0.000 1.047 9 I CA -0.740 60.555 61.300 -0.008 0.000 1.374 9 I CB 1.376 39.371 38.000 -0.007 0.000 1.423 9 I HN -0.151 nan 8.210 nan 0.000 0.549 10 V N 8.040 127.950 119.914 -0.006 0.000 2.370 10 V HA 0.132 4.252 4.120 -0.000 0.000 0.279 10 V C 1.165 177.255 176.094 -0.005 0.000 1.280 10 V CA -0.293 62.001 62.300 -0.009 0.000 1.392 10 V CB -0.138 31.677 31.823 -0.013 0.000 1.464 10 V HN 0.816 nan 8.190 nan 0.000 0.525 11 K N 3.040 123.436 120.400 -0.006 0.000 2.057 11 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 11 K C -0.371 176.227 176.600 -0.003 0.000 1.049 11 K CA 1.582 57.867 56.287 -0.004 0.000 0.931 11 K CB -0.234 32.263 32.500 -0.006 0.000 0.714 11 K HN 0.504 nan 8.250 nan 0.000 0.440 12 P HA 0.002 nan 4.420 nan 0.000 0.239 12 P C 1.043 178.342 177.300 -0.002 0.000 1.188 12 P CA 0.852 63.950 63.100 -0.004 0.000 0.794 12 P CB 0.158 31.855 31.700 -0.005 0.000 0.937 13 I N -1.030 119.539 120.570 -0.003 0.000 3.030 13 I HA -0.082 4.087 4.170 -0.000 0.000 0.270 13 I C 2.208 178.326 176.117 0.001 0.000 1.211 13 I CA 0.241 61.540 61.300 -0.002 0.000 1.479 13 I CB -0.377 37.620 38.000 -0.005 0.000 1.105 13 I HN -0.111 nan 8.210 nan 0.000 0.447 14 L N 3.052 124.276 121.223 0.002 0.000 2.046 14 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 14 L C -0.588 176.287 176.870 0.009 0.000 1.077 14 L CA 2.344 57.188 54.840 0.005 0.000 0.747 14 L CB -1.280 40.783 42.059 0.007 0.000 0.896 14 L HN 0.119 nan 8.230 nan 0.000 0.432 15 P HA 0.086 nan 4.420 nan 0.000 0.261 15 P C 1.545 178.851 177.300 0.011 0.000 1.268 15 P CA 0.725 63.831 63.100 0.009 0.000 0.833 15 P CB 0.194 31.898 31.700 0.007 0.000 1.231 16 I N -0.728 119.848 120.570 0.010 0.000 3.603 16 I HA 0.060 4.230 4.170 -0.000 0.000 0.297 16 I C 0.825 176.951 176.117 0.016 0.000 1.269 16 I CA 0.307 61.613 61.300 0.010 0.000 1.361 16 I CB 0.202 38.206 38.000 0.006 0.000 1.063 16 I HN -0.170 nan 8.210 nan 0.000 0.448 17 L N 2.834 124.068 121.223 0.019 0.000 2.264 17 L HA 0.318 4.658 4.340 -0.000 0.000 0.287 17 L C -1.909 174.979 176.870 0.030 0.000 1.039 17 L CA -1.777 53.080 54.840 0.029 0.000 0.829 17 L CB 0.392 42.466 42.059 0.025 0.000 1.211 17 L HN -0.174 nan 8.230 nan 0.000 0.427 18 P HA -0.198 nan 4.420 nan 0.000 0.050 18 P C 0.243 177.563 177.300 0.034 0.000 0.666 18 P CA 0.889 64.014 63.100 0.041 0.000 0.994 18 P CB -0.157 31.578 31.700 0.058 0.000 1.734 19 E N 0.086 120.301 120.200 0.026 0.000 4.569 19 E HA 0.326 4.676 4.350 -0.000 0.000 0.455 19 E C 0.044 176.658 176.600 0.024 0.000 1.200 19 E CA -0.603 55.809 56.400 0.020 0.000 2.838 19 E CB 0.589 30.301 29.700 0.019 0.000 1.844 19 E HN 0.076 nan 8.360 nan 0.000 0.714 20 V N -1.122 118.807 119.914 0.025 0.000 3.078 20 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 20 V C -1.025 175.088 176.094 0.033 0.000 1.138 20 V CA -0.869 61.450 62.300 0.032 0.000 1.007 20 V CB 1.705 33.548 31.823 0.033 0.000 1.045 20 V HN 0.671 nan 8.190 nan 0.000 0.432 21 E N 2.131 122.355 120.200 0.040 0.000 2.392 21 E HA 0.761 5.111 4.350 -0.000 0.000 0.279 21 E C -1.659 174.975 176.600 0.057 0.000 0.964 21 E CA -0.683 55.740 56.400 0.038 0.000 0.777 21 E CB 2.016 31.732 29.700 0.027 0.000 1.249 21 E HN 1.089 nan 8.360 nan 0.000 0.449 22 L N 0.452 121.711 121.223 0.061 0.000 2.303 22 L HA 0.804 5.143 4.340 -0.000 0.000 0.256 22 L C -2.319 174.616 176.870 0.108 0.000 1.034 22 L CA -1.969 52.920 54.840 0.082 0.000 0.832 22 L CB 0.055 42.153 42.059 0.064 0.000 1.403 22 L HN 0.486 nan 8.230 nan 0.000 0.419 23 P HA 0.387 nan 4.420 nan 0.000 0.274 23 P C -0.081 177.327 177.300 0.181 0.000 1.246 23 P CA -0.018 63.221 63.100 0.230 0.000 0.795 23 P CB 1.404 33.237 31.700 0.223 0.000 1.006 24 F N -1.874 118.065 119.950 -0.017 0.000 2.183 24 F HA -0.206 4.320 4.527 -0.000 0.000 0.318 24 F C 0.238 175.984 175.800 -0.091 0.000 0.682 24 F CA -0.621 57.358 58.000 -0.035 0.000 0.912 24 F CB -0.529 38.466 39.000 -0.008 0.000 4.135 24 F HN 0.300 nan 8.300 nan 0.000 0.137 25 E N 2.192 122.411 120.200 0.033 0.000 2.415 25 E HA 0.125 4.475 4.350 -0.000 0.000 0.262 25 E C -0.385 175.867 176.600 -0.581 0.000 1.038 25 E CA 0.216 56.449 56.400 -0.278 0.000 0.921 25 E CB 0.871 30.294 29.700 -0.462 0.000 0.950 25 E HN 0.402 nan 8.360 nan 0.000 0.438 26 K N 2.162 122.125 120.400 -0.729 0.000 2.508 26 K HA 0.513 4.833 4.320 -0.000 0.000 0.260 26 K C -1.478 174.590 176.600 -0.888 0.000 0.949 26 K CA -0.745 54.884 56.287 -1.097 0.000 0.834 26 K CB 1.205 33.411 32.500 -0.490 0.000 1.365 26 K HN 0.423 nan 8.250 nan 0.000 0.437 27 L N 2.380 123.084 121.223 -0.864 0.000 2.505 27 L HA 0.518 4.858 4.340 -0.000 0.000 0.266 27 L C -2.527 174.247 176.870 -0.161 0.000 0.954 27 L CA -1.667 52.945 54.840 -0.380 0.000 0.852 27 L CB 2.948 44.848 42.059 -0.264 0.000 1.282 27 L HN 0.599 nan 8.230 nan 0.000 0.403 28 P HA 0.319 nan 4.420 nan 0.000 0.288 28 P C -0.300 177.082 177.300 0.135 0.000 1.297 28 P CA -0.451 62.651 63.100 0.003 0.000 0.864 28 P CB 1.889 33.609 31.700 0.034 0.000 1.237 29 F N -0.108 119.887 119.950 0.074 0.000 2.653 29 F HA 0.183 4.710 4.527 -0.000 0.000 0.288 29 F C 1.303 177.216 175.800 0.188 0.000 1.121 29 F CA 0.670 58.756 58.000 0.142 0.000 1.384 29 F CB 0.173 39.281 39.000 0.181 0.000 1.115 29 F HN 0.029 nan 8.300 nan 0.000 0.599 30 D N 0.129 120.728 120.400 0.332 0.000 2.347 30 D HA -0.052 4.588 4.640 -0.000 0.000 0.213 30 D C 0.602 177.023 176.300 0.200 0.000 0.985 30 D CA 0.735 54.894 54.000 0.265 0.000 0.879 30 D CB 0.019 40.964 40.800 0.241 0.000 0.919 30 D HN 0.435 nan 8.370 nan 0.000 0.526 31 D N 0.001 120.514 120.400 0.188 0.000 2.433 31 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 31 D C 1.574 178.018 176.300 0.240 0.000 1.114 31 D CA -0.036 54.123 54.000 0.265 0.000 0.837 31 D CB 0.816 41.761 40.800 0.241 0.000 0.984 31 D HN 0.109 nan 8.370 nan 0.000 0.505 32 K N 0.733 121.172 120.400 0.065 0.000 2.067 32 K HA 0.052 4.372 4.320 -0.000 0.000 0.203 32 K C 2.343 178.971 176.600 0.048 0.000 1.048 32 K CA 0.514 56.764 56.287 -0.061 0.000 0.954 32 K CB 0.206 32.373 32.500 -0.555 0.000 0.737 32 K HN 0.145 nan 8.250 nan 0.000 0.444 33 I N -1.805 118.806 120.570 0.068 0.000 2.315 33 I HA -0.160 4.009 4.170 -0.000 0.000 0.248 33 I C 1.902 178.097 176.117 0.130 0.000 1.117 33 I CA 0.997 62.367 61.300 0.115 0.000 1.404 33 I CB -0.444 37.601 38.000 0.075 0.000 1.071 33 I HN -0.187 nan 8.210 nan 0.000 0.419 34 V N 0.595 120.609 119.914 0.166 0.000 2.427 34 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 34 V C 2.154 178.328 176.094 0.133 0.000 1.051 34 V CA 1.957 64.353 62.300 0.160 0.000 1.048 34 V CB -0.822 31.113 31.823 0.186 0.000 0.666 34 V HN 0.453 nan 8.190 nan 0.000 0.456 35 Y N -1.185 119.103 120.300 -0.020 0.000 2.482 35 Y HA 0.028 4.577 4.550 -0.000 0.000 0.270 35 Y C 2.424 178.300 175.900 -0.040 0.000 1.152 35 Y CA 0.952 58.971 58.100 -0.136 0.000 1.292 35 Y CB 0.523 38.643 38.460 -0.567 0.000 1.070 35 Y HN 0.141 nan 8.280 nan 0.000 0.528 36 T N -0.723 113.916 114.554 0.142 0.000 3.040 36 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 36 T C 1.463 176.217 174.700 0.089 0.000 1.058 36 T CA 0.216 62.380 62.100 0.108 0.000 0.988 36 T CB 0.014 68.948 68.868 0.109 0.000 0.993 36 T HN 0.398 nan 8.240 nan 0.000 0.519 37 I N -0.674 119.946 120.570 0.084 0.000 3.462 37 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 37 I C 1.403 177.520 176.117 0.000 0.000 1.236 37 I CA 0.219 61.539 61.300 0.034 0.000 1.418 37 I CB 0.031 38.041 38.000 0.017 0.000 1.102 37 I HN 0.204 nan 8.210 nan 0.000 0.441 38 F N 1.539 121.445 119.950 -0.074 0.000 2.186 38 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 38 F C 2.451 178.231 175.800 -0.033 0.000 1.090 38 F CA 1.556 59.492 58.000 -0.107 0.000 1.307 38 F CB -0.256 38.584 39.000 -0.267 0.000 1.019 38 F HN 0.089 nan 8.300 nan 0.000 0.489 39 A N -0.269 122.678 122.820 0.213 0.000 1.933 39 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 39 A C 2.374 180.045 177.584 0.145 0.000 1.175 39 A CA 1.649 53.795 52.037 0.183 0.000 0.628 39 A CB -1.625 17.442 19.000 0.111 0.000 0.814 39 A HN 0.416 nan 8.150 nan 0.000 0.444 40 G N -1.305 107.542 108.800 0.080 0.000 2.920 40 G HA2 0.213 4.173 3.960 -0.000 0.000 0.208 40 G HA3 0.213 4.173 3.960 -0.000 0.000 0.208 40 G C 1.186 176.092 174.900 0.009 0.000 1.159 40 G CA 0.401 45.546 45.100 0.075 0.000 0.784 40 G HN 0.419 nan 8.290 nan 0.000 0.535 41 L N -0.305 120.855 121.223 -0.104 0.000 2.590 41 L HA 0.376 4.716 4.340 -0.000 0.000 0.227 41 L C 2.173 178.857 176.870 -0.310 0.000 1.099 41 L CA 0.024 54.675 54.840 -0.316 0.000 0.872 41 L CB 0.213 41.997 42.059 -0.459 0.000 1.088 41 L HN 0.173 nan 8.230 nan 0.000 0.479 42 I N -1.663 118.901 120.570 -0.009 0.000 2.867 42 I HA -0.203 3.967 4.170 -0.000 0.000 0.265 42 I C 2.300 178.501 176.117 0.139 0.000 1.162 42 I CA 0.689 62.077 61.300 0.147 0.000 1.471 42 I CB -0.105 38.082 38.000 0.312 0.000 1.123 42 I HN 0.150 nan 8.210 nan 0.000 0.440 43 Y N 1.724 122.066 120.300 0.071 0.000 2.224 43 Y HA -0.241 4.309 4.550 -0.000 0.000 0.289 43 Y C 2.265 178.140 175.900 -0.042 0.000 1.146 43 Y CA 1.315 59.446 58.100 0.051 0.000 1.182 43 Y CB -0.151 38.330 38.460 0.035 0.000 0.983 43 Y HN 0.077 nan 8.280 nan 0.000 0.524 44 L N -0.305 120.715 121.223 -0.337 0.000 2.079 44 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 44 L C 0.478 177.061 176.870 -0.478 0.000 1.081 44 L CA 1.455 56.014 54.840 -0.469 0.000 0.752 44 L CB -1.034 40.659 42.059 -0.610 0.000 0.896 44 L HN 0.105 nan 8.230 nan 0.000 0.433 45 F N 0.352 120.233 119.950 -0.115 0.000 2.678 45 F HA 0.278 4.805 4.527 -0.000 0.000 0.358 45 F C 1.337 177.115 175.800 -0.037 0.000 1.256 45 F CA 0.172 58.169 58.000 -0.005 0.000 1.278 45 F CB -0.979 37.947 39.000 -0.123 0.000 1.681 45 F HN 0.117 nan 8.300 nan 0.000 0.661 46 A N 1.018 123.866 122.820 0.046 0.000 2.431 46 A HA 0.070 4.390 4.320 -0.000 0.000 0.239 46 A C 1.955 179.595 177.584 0.094 0.000 1.230 46 A CA -0.093 51.940 52.037 -0.006 0.000 0.928 46 A CB -0.141 18.743 19.000 -0.193 0.000 1.006 46 A HN 0.553 nan 8.150 nan 0.000 0.520 47 Q N -0.949 118.959 119.800 0.180 0.000 2.167 47 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 47 Q C 0.027 176.083 176.000 0.094 0.000 0.970 47 Q CA 0.735 56.609 55.803 0.117 0.000 0.855 47 Q CB -0.810 27.986 28.738 0.097 0.000 0.911 47 Q HN 0.414 nan 8.270 nan 0.000 0.438 48 F N 3.113 123.082 119.950 0.031 0.000 2.553 48 F HA 0.157 4.683 4.527 -0.000 0.000 0.356 48 F C -1.566 174.239 175.800 0.009 0.000 1.142 48 F CA -1.995 56.009 58.000 0.007 0.000 1.322 48 F CB -0.031 38.967 39.000 -0.004 0.000 1.126 48 F HN 0.110 nan 8.300 nan 0.000 0.599 49 P HA 0.372 nan 4.420 nan 0.000 0.317 49 P C -1.241 176.134 177.300 0.125 0.000 1.307 49 P CA -0.446 62.718 63.100 0.106 0.000 0.749 49 P CB 1.061 32.794 31.700 0.055 0.000 1.377 50 L N -2.284 118.996 121.223 0.096 0.000 2.362 50 L HA 0.618 4.958 4.340 -0.000 0.000 0.271 50 L C -0.393 176.506 176.870 0.048 0.000 1.002 50 L CA -1.463 53.425 54.840 0.081 0.000 0.818 50 L CB 1.657 43.773 42.059 0.095 0.000 1.298 50 L HN -0.059 nan 8.230 nan 0.000 0.420 51 V N 1.959 121.895 119.914 0.037 0.000 2.673 51 V HA 0.557 4.676 4.120 -0.000 0.000 0.303 51 V C 0.918 177.007 176.094 -0.008 0.000 1.046 51 V CA 0.990 63.303 62.300 0.021 0.000 1.126 51 V CB 0.206 32.046 31.823 0.029 0.000 0.934 51 V HN 1.107 nan 8.190 nan 0.000 0.487 52 G N 4.075 112.868 108.800 -0.012 0.000 2.400 52 G HA2 0.198 4.158 3.960 -0.000 0.000 0.199 52 G HA3 0.198 4.158 3.960 -0.000 0.000 0.199 52 G C -0.624 174.267 174.900 -0.016 0.000 1.383 52 G CA -0.236 44.844 45.100 -0.033 0.000 1.117 52 G HN 1.115 nan 8.290 nan 0.000 0.621 53 L N 0.867 122.084 121.223 -0.010 0.000 2.664 53 L HA 0.469 4.809 4.340 -0.000 0.000 0.233 53 L C -0.615 176.254 176.870 -0.003 0.000 1.113 53 L CA 0.132 54.970 54.840 -0.004 0.000 0.896 53 L CB -0.273 41.785 42.059 -0.002 0.000 1.163 53 L HN 0.286 nan 8.230 nan 0.000 0.497 54 P HA 0.011 nan 4.420 nan 0.000 0.251 54 P C 0.597 177.899 177.300 0.004 0.000 1.223 54 P CA 0.904 64.004 63.100 0.001 0.000 0.796 54 P CB 0.201 31.903 31.700 0.004 0.000 1.068 55 K N -1.439 118.963 120.400 0.003 0.000 2.374 55 K HA 0.507 4.827 4.320 -0.000 0.000 0.202 55 K C 1.509 178.115 176.600 0.011 0.000 1.040 55 K CA 0.179 56.473 56.287 0.013 0.000 1.085 55 K CB 0.241 32.757 32.500 0.027 0.000 0.873 55 K HN -0.142 nan 8.250 nan 0.000 0.539 56 A N 1.396 124.220 122.820 0.006 0.000 2.390 56 A HA 0.131 4.451 4.320 -0.000 0.000 0.232 56 A C 1.579 179.163 177.584 -0.000 0.000 1.233 56 A CA 0.382 52.422 52.037 0.006 0.000 0.907 56 A CB -0.151 18.854 19.000 0.008 0.000 0.967 56 A HN 0.386 nan 8.150 nan 0.000 0.512 57 T N -3.174 111.379 114.554 -0.001 0.000 3.412 57 T HA 0.027 4.376 4.350 -0.000 0.000 0.193 57 T C 1.707 176.405 174.700 -0.003 0.000 0.810 57 T CA 1.461 63.559 62.100 -0.002 0.000 1.910 57 T CB -1.028 67.839 68.868 -0.001 0.000 1.974 57 T HN 0.015 nan 8.240 nan 0.000 0.443 58 T N 3.120 117.673 114.554 -0.002 0.000 2.737 58 T HA 0.042 4.392 4.350 -0.000 0.000 0.265 58 T C -0.227 174.470 174.700 -0.005 0.000 1.038 58 T CA 1.398 63.497 62.100 -0.002 0.000 1.144 58 T CB -1.229 67.639 68.868 -0.000 0.000 0.866 58 T HN 0.536 nan 8.240 nan 0.000 0.434 59 P HA 0.184 nan 4.420 nan 0.000 0.224 59 P C 0.319 177.603 177.300 -0.026 0.000 1.159 59 P CA 0.628 63.718 63.100 -0.017 0.000 0.824 59 P CB -0.097 31.591 31.700 -0.019 0.000 0.833 60 N N -0.627 118.060 118.700 -0.022 0.000 2.747 60 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 60 N C -0.750 174.730 175.510 -0.049 0.000 1.107 60 N CA 0.885 53.921 53.050 -0.023 0.000 0.707 60 N CB -1.941 36.537 38.487 -0.016 0.000 1.054 60 N HN -0.034 nan 8.380 nan 0.000 0.555 61 V N -2.561 117.307 119.914 -0.076 0.000 3.547 61 V HA -0.336 3.784 4.120 -0.000 0.000 0.507 61 V C 0.764 176.710 176.094 -0.247 0.000 0.682 61 V CA 0.614 62.801 62.300 -0.188 0.000 2.059 61 V CB -0.809 30.890 31.823 -0.206 0.000 2.485 61 V HN 0.630 nan 8.190 nan 0.000 0.509 62 N N 2.046 120.509 118.700 -0.395 0.000 2.288 62 N HA 0.254 4.994 4.740 -0.000 0.000 0.237 62 N C -0.357 175.021 175.510 -0.221 0.000 1.311 62 N CA -0.295 52.590 53.050 -0.274 0.000 0.909 62 N CB 0.224 38.562 38.487 -0.247 0.000 1.167 62 N HN 0.800 nan 8.380 nan 0.000 0.476 63 D N 1.098 121.460 120.400 -0.064 0.000 2.472 63 D HA 0.042 4.682 4.640 -0.000 0.000 0.237 63 D C -2.112 174.192 176.300 0.006 0.000 1.141 63 D CA -0.390 53.613 54.000 0.005 0.000 0.875 63 D CB 0.007 40.857 40.800 0.083 0.000 1.192 63 D HN 0.263 nan 8.370 nan 0.000 0.450 64 P HA 0.016 nan 4.420 nan 0.000 0.264 64 P C -0.121 176.875 177.300 -0.506 0.000 1.183 64 P CA 0.105 62.990 63.100 -0.359 0.000 0.763 64 P CB 0.213 31.470 31.700 -0.738 0.000 0.807 65 I N 0.366 120.536 120.570 -0.668 0.000 2.291 65 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 65 I C -0.827 174.617 176.117 -1.122 0.000 1.050 65 I CA -0.811 59.951 61.300 -0.896 0.000 1.245 65 I CB 0.124 37.444 38.000 -1.132 0.000 1.405 65 I HN 0.179 nan 8.210 nan 0.000 0.478 66 Y N 8.417 128.371 120.300 -0.576 0.000 2.841 66 Y HA 0.422 4.972 4.550 -0.000 0.000 0.329 66 Y C 0.063 175.813 175.900 -0.251 0.000 1.062 66 Y CA -0.839 57.056 58.100 -0.341 0.000 1.281 66 Y CB 0.233 38.697 38.460 0.007 0.000 1.147 66 Y HN 0.787 nan 8.280 nan 0.000 0.521 67 F N -3.248 116.505 119.950 -0.328 0.000 1.837 67 F HA 0.045 4.571 4.527 -0.000 0.000 0.371 67 F C 0.564 175.782 175.800 -0.969 0.000 1.006 67 F CA -0.289 57.406 58.000 -0.509 0.000 1.120 67 F CB -0.371 38.196 39.000 -0.721 0.000 1.527 67 F HN 0.032 nan 8.300 nan 0.000 0.423 68 L N 1.189 121.628 121.223 -1.307 0.000 2.093 68 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 68 L C 2.687 178.794 176.870 -1.272 0.000 1.085 68 L CA 1.781 55.655 54.840 -1.609 0.000 0.755 68 L CB -0.563 40.255 42.059 -2.069 0.000 0.904 68 L HN 0.269 nan 8.230 nan 0.000 0.435 69 R N 0.513 120.492 120.500 -0.869 0.000 2.105 69 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 69 R C 2.237 178.404 176.300 -0.222 0.000 1.135 69 R CA 1.521 57.314 56.100 -0.511 0.000 0.967 69 R CB -0.388 29.717 30.300 -0.325 0.000 0.861 69 R HN 0.385 nan 8.270 nan 0.000 0.442 70 G N -0.806 107.920 108.800 -0.124 0.000 2.448 70 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 70 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 70 G C 1.154 176.137 174.900 0.140 0.000 1.135 70 G CA 0.672 45.801 45.100 0.048 0.000 0.784 70 G HN 0.316 nan 8.290 nan 0.000 0.543 71 V N -1.041 118.978 119.914 0.176 0.000 3.523 71 V HA 0.299 4.419 4.120 -0.000 0.000 0.255 71 V C 2.064 178.362 176.094 0.339 0.000 1.226 71 V CA 0.160 62.660 62.300 0.333 0.000 1.092 71 V CB -0.289 31.838 31.823 0.508 0.000 0.817 71 V HN 0.191 nan 8.190 nan 0.000 0.458 72 F N 2.042 121.947 119.950 -0.076 0.000 2.146 72 F HA 0.296 4.823 4.527 -0.000 0.000 0.298 72 F C 2.105 177.911 175.800 0.011 0.000 1.096 72 F CA 1.200 59.160 58.000 -0.066 0.000 1.275 72 F CB -0.914 37.924 39.000 -0.271 0.000 1.008 72 F HN 0.338 nan 8.300 nan 0.000 0.480 73 G N -0.350 108.563 108.800 0.188 0.000 2.165 73 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 73 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 73 G C 0.124 175.120 174.900 0.160 0.000 1.035 73 G CA -0.121 45.035 45.100 0.093 0.000 0.744 73 G HN 0.694 nan 8.290 nan 0.000 0.501 74 C N -1.823 117.572 119.300 0.158 0.000 2.710 74 C HA 0.991 5.451 4.460 -0.000 0.000 0.367 74 C C -0.107 174.927 174.990 0.074 0.000 1.315 74 C CA -1.249 57.856 59.018 0.145 0.000 1.764 74 C CB 2.491 30.266 27.740 0.057 0.000 2.182 74 C HN 0.492 nan 8.230 nan 0.000 0.491 75 E N 0.965 121.175 120.200 0.018 0.000 2.275 75 E HA 0.530 4.880 4.350 -0.000 0.000 0.270 75 E C -2.794 173.755 176.600 -0.084 0.000 0.882 75 E CA -1.259 55.119 56.400 -0.038 0.000 0.758 75 E CB 2.475 32.163 29.700 -0.019 0.000 1.195 75 E HN 0.512 nan 8.360 nan 0.000 0.419 76 P HA 0.169 nan 4.420 nan 0.000 0.272 76 P C -0.929 176.397 177.300 0.042 0.000 1.230 76 P CA 0.130 63.184 63.100 -0.077 0.000 0.788 76 P CB 0.393 32.021 31.700 -0.119 0.000 0.949 77 R N -2.211 118.384 120.500 0.159 0.000 3.332 77 R HA -0.109 4.231 4.340 -0.000 0.000 0.263 77 R C 0.231 176.608 176.300 0.129 0.000 1.053 77 R CA 0.846 57.056 56.100 0.183 0.000 0.705 77 R CB -2.576 27.802 30.300 0.130 0.000 1.166 77 R HN 0.636 nan 8.270 nan 0.000 0.427 78 T N -1.921 112.707 114.554 0.124 0.000 2.637 78 T HA 0.398 4.748 4.350 -0.000 0.000 0.303 78 T C -0.047 174.714 174.700 0.102 0.000 1.288 78 T CA -0.865 61.297 62.100 0.105 0.000 1.040 78 T CB 0.856 69.769 68.868 0.075 0.000 1.644 78 T HN 0.011 nan 8.240 nan 0.000 0.480 79 L N 1.839 123.113 121.223 0.086 0.000 2.478 79 L HA 0.270 4.609 4.340 -0.000 0.000 0.223 79 L C 0.974 177.916 176.870 0.121 0.000 1.140 79 L CA 0.940 55.830 54.840 0.083 0.000 0.842 79 L CB -1.047 41.037 42.059 0.041 0.000 0.953 79 L HN 0.533 nan 8.230 nan 0.000 0.452 80 L N -3.075 118.218 121.223 0.117 0.000 2.861 80 L HA 0.415 4.755 4.340 -0.000 0.000 0.290 80 L C 0.759 177.689 176.870 0.100 0.000 1.346 80 L CA 0.026 54.969 54.840 0.172 0.000 0.779 80 L CB -0.245 41.954 42.059 0.234 0.000 1.143 80 L HN 0.038 nan 8.230 nan 0.000 0.548 81 E N -0.185 119.986 120.200 -0.047 0.000 2.418 81 E HA 0.034 4.384 4.350 -0.000 0.000 0.197 81 E C 0.780 177.068 176.600 -0.521 0.000 1.026 81 E CA 1.206 57.407 56.400 -0.333 0.000 0.862 81 E CB 0.108 29.490 29.700 -0.531 0.000 0.799 81 E HN 0.612 nan 8.360 nan 0.000 0.518 82 F N -0.571 119.423 119.950 0.074 0.000 2.602 82 F HA 0.232 4.759 4.527 -0.000 0.000 0.284 82 F C 1.819 177.636 175.800 0.029 0.000 1.111 82 F CA 0.239 58.238 58.000 -0.002 0.000 1.405 82 F CB 0.120 39.056 39.000 -0.105 0.000 1.121 82 F HN 0.057 nan 8.300 nan 0.000 0.603 83 G N 1.583 110.576 108.800 0.321 0.000 2.629 83 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.313 83 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.313 83 G C 0.719 175.731 174.900 0.186 0.000 1.217 83 G CA 0.554 45.804 45.100 0.249 0.000 0.994 83 G HN 0.232 nan 8.290 nan 0.000 0.549 84 L N 0.316 121.609 121.223 0.117 0.000 2.592 84 L HA 0.315 4.655 4.340 -0.000 0.000 0.227 84 L C 2.358 179.252 176.870 0.040 0.000 1.127 84 L CA 0.139 55.027 54.840 0.080 0.000 0.884 84 L CB -0.186 41.925 42.059 0.085 0.000 1.065 84 L HN 0.408 nan 8.230 nan 0.000 0.457 85 F N 2.772 122.546 119.950 -0.293 0.000 2.126 85 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 85 F C -0.428 175.219 175.800 -0.254 0.000 1.096 85 F CA 1.196 58.922 58.000 -0.456 0.000 1.255 85 F CB -0.947 37.294 39.000 -1.265 0.000 0.997 85 F HN 0.096 nan 8.300 nan 0.000 0.479 86 P HA -0.045 nan 4.420 nan 0.000 0.230 86 P C 0.939 178.109 177.300 -0.217 0.000 1.168 86 P CA 1.088 63.967 63.100 -0.369 0.000 0.793 86 P CB -0.110 31.211 31.700 -0.632 0.000 0.851 87 N N 0.169 118.795 118.700 -0.124 0.000 2.171 87 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 87 N C 1.620 177.124 175.510 -0.011 0.000 1.021 87 N CA 0.643 53.679 53.050 -0.025 0.000 0.854 87 N CB -0.742 37.765 38.487 0.034 0.000 0.994 87 N HN -0.093 nan 8.380 nan 0.000 0.426 88 I N -0.244 120.322 120.570 -0.007 0.000 2.439 88 I HA -0.021 4.149 4.170 -0.000 0.000 0.251 88 I C 2.130 178.232 176.117 -0.025 0.000 1.139 88 I CA 0.852 62.184 61.300 0.053 0.000 1.438 88 I CB -0.700 37.368 38.000 0.113 0.000 1.085 88 I HN 0.098 nan 8.210 nan 0.000 0.427 89 S N -0.230 115.367 115.700 -0.172 0.000 2.383 89 S HA -0.146 4.323 4.470 -0.000 0.000 0.227 89 S C 2.213 176.664 174.600 -0.249 0.000 1.026 89 S CA 1.595 59.596 58.200 -0.333 0.000 0.981 89 S CB -0.498 62.354 63.200 -0.581 0.000 0.818 89 S HN 0.713 nan 8.310 nan 0.000 0.472 90 S N 0.079 115.691 115.700 -0.148 0.000 2.489 90 S HA 0.138 4.608 4.470 -0.000 0.000 0.228 90 S C 1.922 176.450 174.600 -0.119 0.000 0.995 90 S CA 0.758 58.909 58.200 -0.082 0.000 0.934 90 S CB -0.667 62.532 63.200 -0.003 0.000 0.771 90 S HN 0.530 nan 8.310 nan 0.000 0.522 91 G N 1.715 110.463 108.800 -0.087 0.000 2.408 91 G HA2 0.063 4.023 3.960 -0.000 0.000 0.215 91 G HA3 0.063 4.023 3.960 -0.000 0.000 0.215 91 G C 1.250 175.974 174.900 -0.293 0.000 1.156 91 G CA 0.473 45.532 45.100 -0.068 0.000 0.793 91 G HN 0.433 nan 8.290 nan 0.000 0.535 92 L N 0.627 121.653 121.223 -0.329 0.000 2.056 92 L HA 0.095 4.435 4.340 -0.000 0.000 0.207 92 L C 2.755 179.542 176.870 -0.138 0.000 1.078 92 L CA 1.076 55.694 54.840 -0.370 0.000 0.749 92 L CB -0.416 41.518 42.059 -0.209 0.000 0.901 92 L HN 0.180 nan 8.230 nan 0.000 0.433 93 I N -1.205 119.295 120.570 -0.117 0.000 2.226 93 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 93 I C 1.873 177.976 176.117 -0.023 0.000 1.100 93 I CA 1.311 62.583 61.300 -0.046 0.000 1.374 93 I CB -0.135 37.845 38.000 -0.033 0.000 1.057 93 I HN 0.180 nan 8.210 nan 0.000 0.413 94 L N -0.449 120.730 121.223 -0.074 0.000 2.585 94 L HA 0.033 4.373 4.340 -0.000 0.000 0.226 94 L C 2.190 179.190 176.870 0.217 0.000 1.113 94 L CA 0.072 54.895 54.840 -0.029 0.000 0.876 94 L CB -0.141 41.691 42.059 -0.378 0.000 1.072 94 L HN 0.172 nan 8.230 nan 0.000 0.468 95 Q N 0.640 120.502 119.800 0.103 0.000 2.187 95 Q HA -0.130 4.210 4.340 -0.000 0.000 0.199 95 Q C 1.981 178.074 176.000 0.156 0.000 0.957 95 Q CA 1.272 57.130 55.803 0.092 0.000 0.857 95 Q CB 0.074 28.675 28.738 -0.228 0.000 0.929 95 Q HN 0.365 nan 8.270 nan 0.000 0.453 96 L N -0.543 120.792 121.223 0.187 0.000 2.044 96 L HA 0.008 4.347 4.340 -0.000 0.000 0.205 96 L C 1.790 178.752 176.870 0.154 0.000 1.075 96 L CA 1.564 56.543 54.840 0.232 0.000 0.747 96 L CB -0.402 41.809 42.059 0.252 0.000 0.903 96 L HN 0.318 nan 8.230 nan 0.000 0.435 97 L N -0.785 120.510 121.223 0.120 0.000 2.056 97 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 97 L C 2.632 179.564 176.870 0.102 0.000 1.078 97 L CA 1.109 56.007 54.840 0.096 0.000 0.749 97 L CB -0.919 41.178 42.059 0.063 0.000 0.901 97 L HN 0.336 nan 8.230 nan 0.000 0.433 98 A N 0.107 123.019 122.820 0.153 0.000 1.898 98 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 98 A C 2.324 179.956 177.584 0.081 0.000 1.181 98 A CA 1.679 53.815 52.037 0.166 0.000 0.620 98 A CB -0.981 18.197 19.000 0.297 0.000 0.819 98 A HN 0.434 nan 8.150 nan 0.000 0.442 99 G N -0.982 107.840 108.800 0.037 0.000 2.539 99 G HA2 0.118 4.078 3.960 -0.000 0.000 0.215 99 G HA3 0.118 4.078 3.960 -0.000 0.000 0.215 99 G C 1.383 176.216 174.900 -0.111 0.000 1.141 99 G CA 0.805 45.870 45.100 -0.057 0.000 0.806 99 G HN 0.400 nan 8.290 nan 0.000 0.533 100 L N -0.151 121.047 121.223 -0.042 0.000 2.093 100 L HA 0.227 4.567 4.340 -0.000 0.000 0.208 100 L C 1.232 178.099 176.870 -0.004 0.000 1.085 100 L CA 1.612 56.444 54.840 -0.013 0.000 0.755 100 L CB -0.107 42.013 42.059 0.101 0.000 0.904 100 L HN 0.295 nan 8.230 nan 0.000 0.435 101 K N -2.773 117.634 120.400 0.012 0.000 3.368 101 K HA -0.153 4.167 4.320 -0.000 0.000 0.287 101 K C 0.807 177.418 176.600 0.019 0.000 1.316 101 K CA 0.487 56.780 56.287 0.011 0.000 0.841 101 K CB -2.525 29.971 32.500 -0.007 0.000 1.492 101 K HN 0.226 nan 8.250 nan 0.000 0.511 102 V N 0.386 120.319 119.914 0.032 0.000 2.427 102 V HA 0.040 4.160 4.120 -0.000 0.000 0.248 102 V C 0.737 176.843 176.094 0.021 0.000 1.051 102 V CA 1.513 63.831 62.300 0.031 0.000 1.048 102 V CB 0.070 31.918 31.823 0.042 0.000 0.666 102 V HN 0.322 nan 8.190 nan 0.000 0.456 103 I N 0.746 121.332 120.570 0.026 0.000 2.433 103 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 103 I C -0.513 175.612 176.117 0.014 0.000 1.001 103 I CA -0.511 60.797 61.300 0.014 0.000 1.119 103 I CB 1.761 39.772 38.000 0.017 0.000 1.289 103 I HN 0.021 nan 8.210 nan 0.000 0.438 104 K N 5.289 125.681 120.400 -0.013 0.000 2.376 104 K HA 0.772 5.092 4.320 -0.000 0.000 0.257 104 K C -1.406 175.147 176.600 -0.079 0.000 0.939 104 K CA -0.640 55.633 56.287 -0.023 0.000 0.809 104 K CB 2.810 35.297 32.500 -0.022 0.000 1.121 104 K HN 0.268 nan 8.250 nan 0.000 0.425 105 V N 2.168 122.007 119.914 -0.125 0.000 2.808 105 V HA 0.309 4.429 4.120 -0.000 0.000 0.308 105 V C -1.163 174.741 176.094 -0.316 0.000 1.099 105 V CA -1.032 61.054 62.300 -0.356 0.000 0.920 105 V CB 2.155 33.532 31.823 -0.742 0.000 1.014 105 V HN 0.707 nan 8.190 nan 0.000 0.425 106 N N 2.201 120.723 118.700 -0.297 0.000 2.443 106 N HA 0.485 5.225 4.740 -0.000 0.000 0.269 106 N C -0.465 174.937 175.510 -0.181 0.000 0.985 106 N CA -0.600 52.385 53.050 -0.109 0.000 0.921 106 N CB 1.144 39.595 38.487 -0.060 0.000 1.195 106 N HN 0.472 nan 8.380 nan 0.000 0.492 107 F N 1.884 121.759 119.950 -0.125 0.000 2.660 107 F HA 0.201 4.728 4.527 -0.000 0.000 0.302 107 F C 1.731 177.468 175.800 -0.104 0.000 1.103 107 F CA -0.000 57.916 58.000 -0.139 0.000 1.340 107 F CB 0.366 39.234 39.000 -0.220 0.000 1.048 107 F HN 0.549 nan 8.300 nan 0.000 0.551 108 K N 0.334 120.767 120.400 0.054 0.000 2.387 108 K HA 0.245 4.564 4.320 -0.000 0.000 0.198 108 K C 0.209 176.807 176.600 -0.004 0.000 1.022 108 K CA 0.296 56.597 56.287 0.022 0.000 1.128 108 K CB 0.232 32.738 32.500 0.010 0.000 0.853 108 K HN 0.226 nan 8.250 nan 0.000 0.523 109 I N 2.040 122.595 120.570 -0.025 0.000 2.392 109 I HA 0.078 4.247 4.170 -0.000 0.000 0.295 109 I C 1.127 177.226 176.117 -0.030 0.000 0.985 109 I CA -0.785 60.493 61.300 -0.036 0.000 1.221 109 I CB 1.917 39.883 38.000 -0.058 0.000 1.366 109 I HN -0.006 nan 8.210 nan 0.000 0.467 110 Q N 3.807 123.595 119.800 -0.019 0.000 2.084 110 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 110 Q C 2.049 178.041 176.000 -0.013 0.000 0.978 110 Q CA 2.550 58.347 55.803 -0.009 0.000 0.844 110 Q CB -0.061 28.672 28.738 -0.008 0.000 0.898 110 Q HN 0.842 nan 8.270 nan 0.000 0.426 111 S N 0.190 115.873 115.700 -0.027 0.000 2.368 111 S HA -0.169 4.300 4.470 -0.000 0.000 0.225 111 S C 1.279 175.855 174.600 -0.040 0.000 1.030 111 S CA 1.365 59.546 58.200 -0.031 0.000 0.999 111 S CB -0.568 62.610 63.200 -0.037 0.000 0.844 111 S HN 0.693 nan 8.310 nan 0.000 0.459 112 D N 0.186 120.542 120.400 -0.074 0.000 2.360 112 D HA 0.124 4.764 4.640 -0.000 0.000 0.210 112 D C 1.741 177.973 176.300 -0.113 0.000 1.047 112 D CA -0.133 53.796 54.000 -0.118 0.000 0.854 112 D CB -0.249 40.427 40.800 -0.207 0.000 0.936 112 D HN 0.403 nan 8.370 nan 0.000 0.514 113 R N 0.982 121.462 120.500 -0.034 0.000 2.073 113 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 113 R C 1.730 178.112 176.300 0.136 0.000 1.120 113 R CA 1.476 57.625 56.100 0.082 0.000 0.967 113 R CB 0.037 30.385 30.300 0.080 0.000 0.862 113 R HN 0.429 nan 8.270 nan 0.000 0.436 114 E N 0.057 120.302 120.200 0.076 0.000 2.474 114 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 114 E C 1.815 178.453 176.600 0.064 0.000 1.041 114 E CA 0.067 56.513 56.400 0.076 0.000 0.874 114 E CB -0.014 29.710 29.700 0.040 0.000 0.914 114 E HN 0.217 nan 8.360 nan 0.000 0.498 115 L N 0.518 121.771 121.223 0.050 0.000 2.056 115 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 115 L C 2.018 178.919 176.870 0.050 0.000 1.078 115 L CA 1.483 56.337 54.840 0.023 0.000 0.749 115 L CB -0.604 41.447 42.059 -0.014 0.000 0.901 115 L HN 0.165 nan 8.230 nan 0.000 0.433 116 F N 0.120 120.051 119.950 -0.032 0.000 2.134 116 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 116 F C 2.483 178.289 175.800 0.009 0.000 1.097 116 F CA 1.884 59.889 58.000 0.008 0.000 1.264 116 F CB -0.162 38.937 39.000 0.165 0.000 1.001 116 F HN 0.208 nan 8.300 nan 0.000 0.479 117 Q N -0.372 119.553 119.800 0.208 0.000 2.079 117 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 117 Q C 2.446 178.453 176.000 0.011 0.000 0.974 117 Q CA 2.035 57.908 55.803 0.117 0.000 0.840 117 Q CB -0.400 28.418 28.738 0.132 0.000 0.898 117 Q HN 0.527 nan 8.270 nan 0.000 0.430 118 S N 0.728 116.430 115.700 0.003 0.000 2.383 118 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 118 S C 1.923 176.494 174.600 -0.048 0.000 1.026 118 S CA 0.653 58.846 58.200 -0.011 0.000 0.981 118 S CB -0.450 62.750 63.200 -0.001 0.000 0.818 118 S HN 0.316 nan 8.310 nan 0.000 0.472 119 L N 1.453 122.596 121.223 -0.133 0.000 2.093 119 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 119 L C 2.601 179.304 176.870 -0.279 0.000 1.085 119 L CA 1.657 56.351 54.840 -0.244 0.000 0.755 119 L CB -0.784 41.031 42.059 -0.407 0.000 0.904 119 L HN 0.341 nan 8.230 nan 0.000 0.435 120 T N -0.168 114.203 114.554 -0.304 0.000 2.746 120 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 120 T C 1.651 176.329 174.700 -0.038 0.000 1.039 120 T CA 1.835 63.800 62.100 -0.226 0.000 1.142 120 T CB -0.108 68.623 68.868 -0.229 0.000 0.866 120 T HN 0.370 nan 8.240 nan 0.000 0.444 121 K N 1.250 121.646 120.400 -0.006 0.000 2.305 121 K HA 0.169 4.489 4.320 -0.000 0.000 0.199 121 K C 1.817 178.457 176.600 0.068 0.000 1.047 121 K CA 0.675 56.985 56.287 0.037 0.000 0.976 121 K CB -0.714 31.806 32.500 0.034 0.000 0.765 121 K HN 0.181 nan 8.250 nan 0.000 0.474 122 V N 0.238 120.209 119.914 0.094 0.000 2.379 122 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 122 V C 1.548 177.752 176.094 0.183 0.000 1.044 122 V CA 1.255 63.636 62.300 0.135 0.000 1.036 122 V CB -0.578 31.343 31.823 0.164 0.000 0.664 122 V HN 0.194 nan 8.190 nan 0.000 0.453 123 F N 0.582 120.490 119.950 -0.070 0.000 2.661 123 F HA 0.170 4.697 4.527 -0.000 0.000 0.298 123 F C 2.205 177.956 175.800 -0.082 0.000 1.137 123 F CA 0.441 58.390 58.000 -0.085 0.000 1.454 123 F CB -0.744 38.181 39.000 -0.124 0.000 1.103 123 F HN 0.094 nan 8.300 nan 0.000 0.577 124 A N -0.406 122.476 122.820 0.103 0.000 2.016 124 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 124 A C 2.147 179.784 177.584 0.089 0.000 1.162 124 A CA 1.110 53.177 52.037 0.050 0.000 0.662 124 A CB -0.636 18.406 19.000 0.070 0.000 0.812 124 A HN 0.362 nan 8.150 nan 0.000 0.450 125 I N -1.129 119.493 120.570 0.087 0.000 3.265 125 I HA -0.049 4.120 4.170 -0.000 0.000 0.282 125 I C 1.911 178.045 176.117 0.028 0.000 1.207 125 I CA 0.288 61.649 61.300 0.101 0.000 1.449 125 I CB 0.246 38.278 38.000 0.053 0.000 1.121 125 I HN 0.080 nan 8.210 nan 0.000 0.442 126 V N 0.638 120.515 119.914 -0.062 0.000 2.453 126 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 126 V C 2.361 178.364 176.094 -0.152 0.000 1.048 126 V CA 1.627 63.832 62.300 -0.158 0.000 1.049 126 V CB -0.437 31.174 31.823 -0.353 0.000 0.672 126 V HN 0.386 nan 8.190 nan 0.000 0.457 127 Q N -1.117 118.597 119.800 -0.143 0.000 2.311 127 Q HA -0.118 4.222 4.340 -0.000 0.000 0.203 127 Q C 1.879 177.757 176.000 -0.203 0.000 0.954 127 Q CA 1.422 57.123 55.803 -0.169 0.000 0.885 127 Q CB -0.339 28.288 28.738 -0.185 0.000 0.963 127 Q HN 0.663 nan 8.270 nan 0.000 0.471 128 Y N -0.910 119.282 120.300 -0.179 0.000 2.200 128 Y HA -0.139 4.411 4.550 -0.000 0.000 0.290 128 Y C 2.159 177.895 175.900 -0.273 0.000 1.137 128 Y CA 1.352 59.301 58.100 -0.251 0.000 1.163 128 Y CB -0.371 37.980 38.460 -0.181 0.000 0.988 128 Y HN 0.084 nan 8.280 nan 0.000 0.518 129 V N 1.150 121.071 119.914 0.010 0.000 2.427 129 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 129 V C 2.006 178.058 176.094 -0.071 0.000 1.051 129 V CA 2.078 64.364 62.300 -0.023 0.000 1.048 129 V CB -0.574 31.242 31.823 -0.012 0.000 0.666 129 V HN 0.486 nan 8.190 nan 0.000 0.456 130 I N -2.694 117.817 120.570 -0.097 0.000 2.761 130 I HA -0.044 4.125 4.170 -0.000 0.000 0.261 130 I C 2.177 178.233 176.117 -0.102 0.000 1.198 130 I CA 1.262 62.504 61.300 -0.096 0.000 1.482 130 I CB -0.441 37.510 38.000 -0.082 0.000 1.100 130 I HN 0.205 nan 8.210 nan 0.000 0.445 131 L N 0.825 121.940 121.223 -0.180 0.000 2.217 131 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 131 L C 2.444 179.186 176.870 -0.214 0.000 1.107 131 L CA 1.495 56.195 54.840 -0.233 0.000 0.783 131 L CB -0.282 41.426 42.059 -0.585 0.000 0.919 131 L HN 0.349 nan 8.230 nan 0.000 0.442 132 T N -1.520 112.903 114.554 -0.218 0.000 3.086 132 T HA 0.053 4.403 4.350 -0.000 0.000 0.250 132 T C 1.169 175.945 174.700 0.126 0.000 1.074 132 T CA 0.447 62.581 62.100 0.058 0.000 0.988 132 T CB -0.191 68.699 68.868 0.038 0.000 0.988 132 T HN 0.388 nan 8.240 nan 0.000 0.530 133 N N -0.307 118.363 118.700 -0.049 0.000 2.282 133 N HA 0.348 5.088 4.740 -0.000 0.000 0.185 133 N C 1.398 176.622 175.510 -0.477 0.000 1.099 133 N CA 0.083 52.966 53.050 -0.279 0.000 0.878 133 N CB 0.502 38.787 38.487 -0.336 0.000 0.993 133 N HN 0.301 nan 8.380 nan 0.000 0.481 134 I N -0.291 120.218 120.570 -0.102 0.000 2.500 134 I HA -0.116 4.054 4.170 -0.000 0.000 0.252 134 I C 0.989 177.276 176.117 0.282 0.000 1.142 134 I CA 0.935 62.280 61.300 0.075 0.000 1.451 134 I CB 0.159 38.265 38.000 0.177 0.000 1.093 134 I HN 0.130 nan 8.210 nan 0.000 0.430 135 F N 0.981 121.050 119.950 0.198 0.000 2.765 135 F HA 0.169 4.696 4.527 -0.000 0.000 0.302 135 F C 1.743 177.749 175.800 0.343 0.000 1.111 135 F CA 0.387 58.561 58.000 0.290 0.000 1.359 135 F CB 0.166 39.471 39.000 0.508 0.000 1.097 135 F HN -0.027 nan 8.300 nan 0.000 0.577 136 I N -4.846 115.980 120.570 0.427 0.000 4.018 136 I HA 0.132 4.302 4.170 -0.000 0.000 0.337 136 I C 0.740 177.149 176.117 0.486 0.000 1.327 136 I CA 0.272 61.842 61.300 0.450 0.000 1.100 136 I CB -0.282 37.951 38.000 0.389 0.000 1.025 136 I HN -0.184 nan 8.210 nan 0.000 0.396 137 F N 1.937 121.995 119.950 0.180 0.000 2.721 137 F HA 0.496 5.023 4.527 -0.000 0.000 0.301 137 F C 2.437 178.284 175.800 0.078 0.000 1.096 137 F CA -0.230 57.842 58.000 0.120 0.000 1.308 137 F CB -0.251 38.819 39.000 0.117 0.000 1.086 137 F HN 0.115 nan 8.300 nan 0.000 0.587 138 A N 0.031 122.986 122.820 0.226 0.000 1.929 138 A HA 0.313 4.632 4.320 -0.000 0.000 0.216 138 A C 2.085 179.691 177.584 0.037 0.000 1.176 138 A CA 1.394 53.473 52.037 0.070 0.000 0.628 138 A CB -0.992 17.954 19.000 -0.092 0.000 0.816 138 A HN 0.576 nan 8.150 nan 0.000 0.444 139 G N -2.762 106.065 108.800 0.044 0.000 2.132 139 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.228 139 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.228 139 G C 0.498 175.356 174.900 -0.070 0.000 1.000 139 G CA 0.696 45.815 45.100 0.031 0.000 0.693 139 G HN 0.740 nan 8.290 nan 0.000 0.515 140 Y N 0.416 120.485 120.300 -0.385 0.000 2.242 140 Y HA 0.177 4.727 4.550 -0.000 0.000 0.291 140 Y C 2.151 177.759 175.900 -0.486 0.000 1.137 140 Y CA 1.956 59.692 58.100 -0.608 0.000 1.181 140 Y CB -0.252 37.476 38.460 -1.220 0.000 0.989 140 Y HN 0.279 nan 8.280 nan 0.000 0.527 141 F N -0.084 119.696 119.950 -0.283 0.000 2.748 141 F HA 0.206 4.733 4.527 -0.000 0.000 0.299 141 F C 2.143 177.817 175.800 -0.210 0.000 1.154 141 F CA 0.973 58.815 58.000 -0.264 0.000 1.446 141 F CB -0.472 38.489 39.000 -0.064 0.000 1.112 141 F HN 0.166 nan 8.300 nan 0.000 0.584 142 G N 0.480 109.252 108.800 -0.045 0.000 2.159 142 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.256 142 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.256 142 G C -0.524 174.391 174.900 0.026 0.000 0.977 142 G CA 0.299 45.378 45.100 -0.034 0.000 0.652 142 G HN 0.456 nan 8.290 nan 0.000 0.531 143 D N -0.110 120.337 120.400 0.077 0.000 2.655 143 D HA 0.543 5.183 4.640 -0.000 0.000 0.229 143 D C -1.255 175.111 176.300 0.110 0.000 1.229 143 D CA -0.338 53.708 54.000 0.075 0.000 0.807 143 D CB 1.198 42.033 40.800 0.058 0.000 1.514 143 D HN 0.296 nan 8.370 nan 0.000 0.444 144 D N 0.527 120.980 120.400 0.089 0.000 2.896 144 D HA 0.557 5.197 4.640 -0.000 0.000 0.241 144 D C -0.605 175.742 176.300 0.078 0.000 1.188 144 D CA -0.551 53.512 54.000 0.105 0.000 0.879 144 D CB 1.858 42.714 40.800 0.094 0.000 1.553 144 D HN 0.385 nan 8.370 nan 0.000 0.515 145 L N 0.257 121.533 121.223 0.088 0.000 2.341 145 L HA 0.476 4.816 4.340 -0.000 0.000 0.254 145 L C 0.464 177.378 176.870 0.072 0.000 1.040 145 L CA -1.090 53.789 54.840 0.066 0.000 0.837 145 L CB 1.974 44.066 42.059 0.056 0.000 1.425 145 L HN 0.401 nan 8.230 nan 0.000 0.414 146 S N -0.264 115.468 115.700 0.054 0.000 2.634 146 S HA 0.242 4.712 4.470 -0.000 0.000 0.261 146 S C -0.305 174.329 174.600 0.057 0.000 1.271 146 S CA -0.439 57.793 58.200 0.054 0.000 0.985 146 S CB 1.441 64.664 63.200 0.037 0.000 0.968 146 S HN 0.386 nan 8.310 nan 0.000 0.568 147 V N 4.216 124.164 119.914 0.056 0.000 2.420 147 V HA 0.313 4.433 4.120 -0.000 0.000 0.274 147 V C 0.279 176.393 176.094 0.034 0.000 1.003 147 V CA 1.309 63.640 62.300 0.051 0.000 1.092 147 V CB -0.900 30.953 31.823 0.050 0.000 1.002 147 V HN 0.736 nan 8.190 nan 0.000 0.473 148 V N 3.357 123.290 119.914 0.031 0.000 5.989 148 V HA 0.270 4.390 4.120 -0.000 0.000 0.079 148 V C 1.243 177.347 176.094 0.017 0.000 0.875 148 V CA 0.467 62.778 62.300 0.019 0.000 1.165 148 V CB 0.284 32.117 31.823 0.016 0.000 2.011 148 V HN 0.532 nan 8.190 nan 0.000 0.555 149 Q N -0.393 119.416 119.800 0.015 0.000 2.319 149 Q HA 0.386 4.725 4.340 -0.000 0.000 0.202 149 Q C 1.603 177.606 176.000 0.006 0.000 0.896 149 Q CA 0.357 56.164 55.803 0.008 0.000 0.942 149 Q CB 0.629 29.366 28.738 -0.002 0.000 1.083 149 Q HN 0.773 nan 8.270 nan 0.000 0.510 150 I N -0.695 119.890 120.570 0.024 0.000 3.059 150 I HA 0.007 4.176 4.170 -0.000 0.000 0.270 150 I C 1.561 177.716 176.117 0.063 0.000 1.238 150 I CA 0.707 62.030 61.300 0.038 0.000 1.478 150 I CB 0.175 38.222 38.000 0.077 0.000 1.097 150 I HN 0.272 nan 8.210 nan 0.000 0.455 151 G N 0.573 109.408 108.800 0.058 0.000 2.459 151 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.213 151 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.213 151 G C 1.430 176.381 174.900 0.085 0.000 1.155 151 G CA 0.002 45.142 45.100 0.067 0.000 0.811 151 G HN 0.188 nan 8.290 nan 0.000 0.534 152 L N 0.560 121.823 121.223 0.067 0.000 2.131 152 L HA 0.212 4.551 4.340 -0.000 0.000 0.206 152 L C 2.611 179.564 176.870 0.139 0.000 1.087 152 L CA 0.939 55.840 54.840 0.101 0.000 0.767 152 L CB -0.814 41.279 42.059 0.056 0.000 0.917 152 L HN 0.234 nan 8.230 nan 0.000 0.441 153 I N 0.933 121.541 120.570 0.062 0.000 2.286 153 I HA -0.327 3.843 4.170 -0.000 0.000 0.248 153 I C 2.345 178.516 176.117 0.091 0.000 1.115 153 I CA 1.280 62.591 61.300 0.018 0.000 1.392 153 I CB -0.070 37.845 38.000 -0.142 0.000 1.065 153 I HN 0.481 nan 8.210 nan 0.000 0.418 154 N N 0.379 119.160 118.700 0.136 0.000 2.331 154 N HA -0.259 4.481 4.740 -0.000 0.000 0.180 154 N C 2.134 177.747 175.510 0.172 0.000 1.019 154 N CA 0.984 54.143 53.050 0.183 0.000 0.881 154 N CB -0.673 37.914 38.487 0.167 0.000 0.972 154 N HN 0.376 nan 8.380 nan 0.000 0.435 155 F N 1.959 121.937 119.950 0.047 0.000 2.146 155 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 155 F C 2.508 178.325 175.800 0.027 0.000 1.096 155 F CA 1.304 59.319 58.000 0.026 0.000 1.275 155 F CB -0.261 38.747 39.000 0.013 0.000 1.008 155 F HN -0.011 nan 8.300 nan 0.000 0.480 156 Q N -0.216 119.559 119.800 -0.042 0.000 2.084 156 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 156 Q C 2.237 178.174 176.000 -0.104 0.000 0.978 156 Q CA 1.477 57.218 55.803 -0.104 0.000 0.844 156 Q CB -0.282 28.478 28.738 0.036 0.000 0.898 156 Q HN 0.354 nan 8.270 nan 0.000 0.426 157 L N -0.012 121.229 121.223 0.030 0.000 2.093 157 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 157 L C 2.255 179.135 176.870 0.017 0.000 1.085 157 L CA 1.227 56.157 54.840 0.150 0.000 0.755 157 L CB -0.758 41.562 42.059 0.436 0.000 0.904 157 L HN 0.166 nan 8.230 nan 0.000 0.435 158 V N -0.085 119.749 119.914 -0.133 0.000 2.427 158 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 158 V C 2.474 178.297 176.094 -0.451 0.000 1.051 158 V CA 1.657 63.734 62.300 -0.371 0.000 1.048 158 V CB -0.950 30.735 31.823 -0.231 0.000 0.666 158 V HN 0.538 nan 8.190 nan 0.000 0.456 159 G N -0.964 107.561 108.800 -0.458 0.000 2.744 159 G HA2 0.157 4.117 3.960 -0.000 0.000 0.211 159 G HA3 0.157 4.117 3.960 -0.000 0.000 0.211 159 G C 1.095 175.862 174.900 -0.221 0.000 1.143 159 G CA 0.767 45.609 45.100 -0.429 0.000 0.788 159 G HN 0.611 nan 8.290 nan 0.000 0.534 160 A N -0.497 122.232 122.820 -0.153 0.000 2.571 160 A HA 0.601 4.921 4.320 -0.000 0.000 0.274 160 A C 1.811 179.429 177.584 0.056 0.000 1.196 160 A CA 0.875 52.916 52.037 0.007 0.000 0.957 160 A CB 0.412 19.422 19.000 0.015 0.000 1.150 160 A HN 0.320 nan 8.150 nan 0.000 0.539 161 G N -0.475 108.200 108.800 -0.208 0.000 2.781 161 G HA2 0.195 4.154 3.960 -0.000 0.000 0.208 161 G HA3 0.195 4.154 3.960 -0.000 0.000 0.208 161 G C 1.124 175.704 174.900 -0.534 0.000 1.099 161 G CA 0.362 45.205 45.100 -0.429 0.000 0.776 161 G HN 0.324 nan 8.290 nan 0.000 0.532 162 I N 0.252 120.569 120.570 -0.423 0.000 2.761 162 I HA 0.070 4.240 4.170 -0.000 0.000 0.261 162 I C 2.161 178.248 176.117 -0.051 0.000 1.198 162 I CA 0.318 61.496 61.300 -0.203 0.000 1.482 162 I CB -0.037 37.859 38.000 -0.173 0.000 1.100 162 I HN 0.155 nan 8.210 nan 0.000 0.445 163 F N 1.202 121.090 119.950 -0.104 0.000 2.146 163 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 163 F C 2.479 178.291 175.800 0.021 0.000 1.096 163 F CA 1.760 59.742 58.000 -0.031 0.000 1.275 163 F CB -0.511 38.471 39.000 -0.030 0.000 1.008 163 F HN -0.122 nan 8.300 nan 0.000 0.480 164 T N -1.200 113.204 114.554 -0.250 0.000 3.088 164 T HA -0.052 4.298 4.350 -0.000 0.000 0.259 164 T C 1.783 176.400 174.700 -0.138 0.000 1.122 164 T CA 1.487 63.442 62.100 -0.241 0.000 1.095 164 T CB -0.477 68.416 68.868 0.042 0.000 0.930 164 T HN 0.506 nan 8.240 nan 0.000 0.508 165 T N -0.879 113.633 114.554 -0.070 0.000 3.057 165 T HA 0.253 4.602 4.350 -0.000 0.000 0.254 165 T C 1.911 176.575 174.700 -0.059 0.000 1.094 165 T CA 0.081 62.173 62.100 -0.014 0.000 1.088 165 T CB -0.257 68.650 68.868 0.064 0.000 0.934 165 T HN 0.293 nan 8.240 nan 0.000 0.497 166 L N 0.231 121.376 121.223 -0.130 0.000 2.109 166 L HA 0.176 4.516 4.340 -0.000 0.000 0.207 166 L C 2.595 179.372 176.870 -0.155 0.000 1.086 166 L CA 0.877 55.651 54.840 -0.110 0.000 0.760 166 L CB -0.445 41.572 42.059 -0.070 0.000 0.910 166 L HN 0.234 nan 8.230 nan 0.000 0.437 167 L N -0.614 120.415 121.223 -0.323 0.000 2.083 167 L HA -0.215 4.124 4.340 -0.000 0.000 0.209 167 L C 2.838 179.650 176.870 -0.097 0.000 1.083 167 L CA 1.149 55.843 54.840 -0.243 0.000 0.752 167 L CB -0.686 41.181 42.059 -0.321 0.000 0.899 167 L HN 0.263 nan 8.230 nan 0.000 0.433 168 A N -0.081 122.693 122.820 -0.076 0.000 1.902 168 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 168 A C 2.157 179.746 177.584 0.007 0.000 1.181 168 A CA 1.721 53.746 52.037 -0.019 0.000 0.623 168 A CB -0.390 18.609 19.000 -0.001 0.000 0.818 168 A HN 0.454 nan 8.150 nan 0.000 0.443 169 E N -0.541 119.663 120.200 0.007 0.000 2.072 169 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 169 E C 2.001 178.628 176.600 0.045 0.000 0.982 169 E CA 1.083 57.501 56.400 0.030 0.000 0.803 169 E CB -0.220 29.498 29.700 0.031 0.000 0.755 169 E HN 0.369 nan 8.360 nan 0.000 0.453 170 V N 1.571 121.513 119.914 0.047 0.000 2.343 170 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 170 V C 2.222 178.378 176.094 0.104 0.000 1.051 170 V CA 1.521 63.876 62.300 0.091 0.000 1.036 170 V CB -0.343 31.531 31.823 0.086 0.000 0.654 170 V HN 0.269 nan 8.190 nan 0.000 0.451 171 I N 0.212 120.822 120.570 0.067 0.000 2.315 171 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 171 I C 2.171 178.317 176.117 0.049 0.000 1.117 171 I CA 1.932 63.269 61.300 0.061 0.000 1.404 171 I CB -0.334 37.694 38.000 0.046 0.000 1.071 171 I HN 0.351 nan 8.210 nan 0.000 0.419 172 D N 0.529 120.958 120.400 0.048 0.000 2.347 172 D HA -0.108 4.532 4.640 -0.000 0.000 0.215 172 D C 1.757 178.079 176.300 0.036 0.000 0.976 172 D CA 0.760 54.786 54.000 0.044 0.000 0.884 172 D CB 0.238 41.068 40.800 0.050 0.000 0.915 172 D HN -0.049 nan 8.370 nan 0.000 0.526 173 K N -0.664 119.761 120.400 0.041 0.000 2.404 173 K HA 0.304 4.624 4.320 -0.000 0.000 0.194 173 K C 1.203 177.797 176.600 -0.011 0.000 1.023 173 K CA 0.601 56.903 56.287 0.025 0.000 1.094 173 K CB 0.694 33.219 32.500 0.041 0.000 0.841 173 K HN 0.159 nan 8.250 nan 0.000 0.523 174 G N 0.546 109.336 108.800 -0.015 0.000 2.154 174 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.186 174 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.186 174 G C 0.340 175.188 174.900 -0.086 0.000 1.000 174 G CA -0.294 44.756 45.100 -0.084 0.000 0.664 174 G HN 0.406 nan 8.290 nan 0.000 0.513 175 F N 1.155 121.011 119.950 -0.158 0.000 2.727 175 F HA 0.458 4.985 4.527 -0.000 0.000 0.302 175 F C 1.257 176.971 175.800 -0.144 0.000 1.097 175 F CA 0.314 58.200 58.000 -0.190 0.000 1.330 175 F CB 0.572 39.462 39.000 -0.184 0.000 1.084 175 F HN 0.394 nan 8.300 nan 0.000 0.578 176 G N -0.530 108.288 108.800 0.030 0.000 2.708 176 G HA2 0.402 4.361 3.960 -0.000 0.000 0.289 176 G HA3 0.402 4.361 3.960 -0.000 0.000 0.289 176 G C -1.818 172.970 174.900 -0.186 0.000 1.416 176 G CA -0.525 44.553 45.100 -0.037 0.000 0.829 176 G HN -0.100 nan 8.290 nan 0.000 0.480 177 F N 0.403 120.352 119.950 -0.000 0.000 2.380 177 F HA 0.695 5.222 4.527 -0.000 0.000 0.321 177 F C 1.347 177.150 175.800 0.005 0.000 1.103 177 F CA 0.869 58.858 58.000 -0.018 0.000 1.067 177 F CB 1.828 40.792 39.000 -0.059 0.000 1.265 177 F HN 0.760 nan 8.300 nan 0.000 0.517 178 S N 0.515 116.383 115.700 0.280 0.000 3.245 178 S HA -0.248 4.222 4.470 -0.000 0.000 0.631 178 S C -0.206 174.464 174.600 0.116 0.000 2.821 178 S CA 0.519 58.817 58.200 0.164 0.000 3.266 178 S CB -1.370 61.904 63.200 0.122 0.000 0.314 178 S HN 0.948 nan 8.310 nan 0.000 1.621 179 S N -0.708 115.048 115.700 0.093 0.000 2.568 179 S HA 0.646 5.116 4.470 -0.000 0.000 0.302 179 S C 1.017 175.647 174.600 0.049 0.000 1.082 179 S CA 0.283 58.524 58.200 0.069 0.000 1.009 179 S CB 1.353 64.594 63.200 0.069 0.000 1.069 179 S HN 1.364 nan 8.310 nan 0.000 0.500 180 G N 1.726 110.545 108.800 0.032 0.000 2.650 180 G HA2 0.186 4.146 3.960 -0.000 0.000 0.214 180 G HA3 0.186 4.146 3.960 -0.000 0.000 0.214 180 G C 1.254 176.149 174.900 -0.008 0.000 1.136 180 G CA 0.630 45.735 45.100 0.008 0.000 0.789 180 G HN 0.848 nan 8.290 nan 0.000 0.536 181 A N 0.512 123.338 122.820 0.009 0.000 1.897 181 A HA 0.113 4.433 4.320 -0.000 0.000 0.215 181 A C 2.204 179.788 177.584 0.000 0.000 1.181 181 A CA 1.835 53.876 52.037 0.007 0.000 0.620 181 A CB -0.250 18.763 19.000 0.021 0.000 0.821 181 A HN 0.352 nan 8.150 nan 0.000 0.443 182 M N -0.099 119.510 119.600 0.014 0.000 2.132 182 M HA 0.041 4.521 4.480 -0.000 0.000 0.263 182 M C 1.795 178.096 176.300 0.001 0.000 1.065 182 M CA 1.464 56.777 55.300 0.021 0.000 1.122 182 M CB -0.483 32.154 32.600 0.060 0.000 1.365 182 M HN 0.397 nan 8.290 nan 0.000 0.411 183 I N -0.830 119.735 120.570 -0.008 0.000 2.252 183 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 183 I C 2.354 178.411 176.117 -0.100 0.000 1.102 183 I CA 1.259 62.541 61.300 -0.030 0.000 1.385 183 I CB -0.393 37.602 38.000 -0.008 0.000 1.064 183 I HN 0.307 nan 8.210 nan 0.000 0.414 184 I N 0.615 121.099 120.570 -0.144 0.000 2.676 184 I HA -0.256 3.914 4.170 -0.000 0.000 0.259 184 I C 1.981 177.937 176.117 -0.267 0.000 1.194 184 I CA 1.227 62.343 61.300 -0.307 0.000 1.473 184 I CB -0.103 37.723 38.000 -0.290 0.000 1.096 184 I HN 0.261 nan 8.210 nan 0.000 0.443 185 N N -0.068 118.563 118.700 -0.115 0.000 2.270 185 N HA -0.151 4.589 4.740 -0.000 0.000 0.181 185 N C 1.417 176.898 175.510 -0.048 0.000 1.016 185 N CA 1.733 54.752 53.050 -0.052 0.000 0.870 185 N CB 0.133 38.620 38.487 -0.001 0.000 0.979 185 N HN 0.388 nan 8.380 nan 0.000 0.431 186 T N -2.582 111.939 114.554 -0.055 0.000 3.145 186 T HA 0.134 4.483 4.350 -0.000 0.000 0.255 186 T C 1.054 175.730 174.700 -0.040 0.000 1.039 186 T CA 0.238 62.321 62.100 -0.028 0.000 0.928 186 T CB 0.051 68.915 68.868 -0.007 0.000 1.029 186 T HN 0.053 nan 8.240 nan 0.000 0.554 187 V N -2.931 116.926 119.914 -0.095 0.000 3.477 187 V HA 0.476 4.596 4.120 -0.000 0.000 0.297 187 V C 1.855 177.941 176.094 -0.013 0.000 1.433 187 V CA -0.328 61.940 62.300 -0.055 0.000 1.052 187 V CB -0.165 31.628 31.823 -0.050 0.000 0.895 187 V HN 0.205 nan 8.190 nan 0.000 0.438 188 V N 2.065 121.939 119.914 -0.066 0.000 2.453 188 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 188 V C 2.422 178.551 176.094 0.059 0.000 1.048 188 V CA 2.695 65.021 62.300 0.044 0.000 1.049 188 V CB 0.236 32.074 31.823 0.025 0.000 0.672 188 V HN 0.734 nan 8.190 nan 0.000 0.457 189 I N -0.703 119.884 120.570 0.028 0.000 2.394 189 I HA -0.054 4.116 4.170 -0.000 0.000 0.251 189 I C 2.313 178.448 176.117 0.031 0.000 1.136 189 I CA 1.838 63.153 61.300 0.026 0.000 1.425 189 I CB -0.789 37.221 38.000 0.017 0.000 1.079 189 I HN 0.179 nan 8.210 nan 0.000 0.425 190 A N 1.419 124.261 122.820 0.038 0.000 1.898 190 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 190 A C 2.333 179.946 177.584 0.048 0.000 1.181 190 A CA 2.299 54.358 52.037 0.036 0.000 0.620 190 A CB -1.214 17.807 19.000 0.035 0.000 0.819 190 A HN 0.515 nan 8.150 nan 0.000 0.442 191 T N 0.708 115.314 114.554 0.087 0.000 2.737 191 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 191 T C 1.786 176.515 174.700 0.048 0.000 1.038 191 T CA 1.614 63.760 62.100 0.077 0.000 1.144 191 T CB -0.331 68.613 68.868 0.127 0.000 0.866 191 T HN 0.504 nan 8.240 nan 0.000 0.434 192 N N 0.947 119.676 118.700 0.048 0.000 2.251 192 N HA 0.076 4.816 4.740 -0.000 0.000 0.181 192 N C 1.655 177.170 175.510 0.008 0.000 1.019 192 N CA 0.365 53.431 53.050 0.027 0.000 0.862 192 N CB -0.600 37.903 38.487 0.027 0.000 0.992 192 N HN 0.162 nan 8.380 nan 0.000 0.429 193 L N 0.436 121.667 121.223 0.014 0.000 2.056 193 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 193 L C 1.752 178.635 176.870 0.022 0.000 1.078 193 L CA 1.372 56.218 54.840 0.010 0.000 0.749 193 L CB -0.451 41.615 42.059 0.012 0.000 0.901 193 L HN -0.059 nan 8.230 nan 0.000 0.433 194 V N -0.663 119.271 119.914 0.033 0.000 3.506 194 V HA 0.115 4.234 4.120 -0.000 0.000 0.263 194 V C 2.393 178.539 176.094 0.086 0.000 1.203 194 V CA 0.835 63.173 62.300 0.065 0.000 1.133 194 V CB 0.070 31.913 31.823 0.032 0.000 0.802 194 V HN 0.539 nan 8.190 nan 0.000 0.459 195 A N -0.116 122.732 122.820 0.047 0.000 1.898 195 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 195 A C 2.031 179.622 177.584 0.013 0.000 1.181 195 A CA 2.038 54.096 52.037 0.035 0.000 0.620 195 A CB -0.505 18.504 19.000 0.015 0.000 0.819 195 A HN 0.547 nan 8.150 nan 0.000 0.442 196 D N -1.673 118.721 120.400 -0.011 0.000 2.097 196 D HA -0.093 4.546 4.640 -0.000 0.000 0.197 196 D C 1.963 178.249 176.300 -0.024 0.000 0.984 196 D CA 1.940 55.911 54.000 -0.048 0.000 0.826 196 D CB -0.007 40.746 40.800 -0.077 0.000 0.973 196 D HN 0.330 nan 8.370 nan 0.000 0.460 197 T N -1.910 112.656 114.554 0.020 0.000 3.038 197 T HA 0.094 4.443 4.350 -0.000 0.000 0.244 197 T C 1.442 176.181 174.700 0.064 0.000 1.016 197 T CA -0.050 62.067 62.100 0.029 0.000 1.098 197 T CB -0.289 68.601 68.868 0.037 0.000 0.954 197 T HN 0.090 nan 8.240 nan 0.000 0.469 198 F N 1.467 121.399 119.950 -0.030 0.000 2.164 198 F HA 0.380 4.907 4.527 -0.000 0.000 0.287 198 F C 1.636 177.419 175.800 -0.029 0.000 1.086 198 F CA 1.170 59.152 58.000 -0.029 0.000 1.249 198 F CB -0.561 38.426 39.000 -0.023 0.000 1.059 198 F HN 0.364 nan 8.300 nan 0.000 0.490 199 G N 0.694 109.570 108.800 0.126 0.000 2.581 199 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.289 199 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.289 199 G C -0.796 174.071 174.900 -0.054 0.000 1.303 199 G CA 0.024 45.142 45.100 0.030 0.000 0.931 199 G HN 1.113 nan 8.290 nan 0.000 0.555 200 V N -0.525 119.356 119.914 -0.056 0.000 3.077 200 V HA 0.679 4.799 4.120 -0.000 0.000 0.299 200 V C 0.227 176.287 176.094 -0.056 0.000 1.276 200 V CA 0.431 62.686 62.300 -0.075 0.000 0.993 200 V CB 2.056 33.865 31.823 -0.024 0.000 1.076 200 V HN 2.140 nan 8.190 nan 0.000 0.434 201 S N 5.420 121.084 115.700 -0.061 0.000 2.554 201 S HA 0.835 5.305 4.470 -0.000 0.000 0.278 201 S C -0.600 173.988 174.600 -0.020 0.000 1.242 201 S CA -0.593 57.584 58.200 -0.038 0.000 1.051 201 S CB 1.535 64.711 63.200 -0.041 0.000 0.986 201 S HN 1.076 nan 8.310 nan 0.000 0.502 202 Q N 1.003 120.796 119.800 -0.011 0.000 2.544 202 Q HA 0.710 5.050 4.340 -0.000 0.000 0.291 202 Q C -1.095 174.905 176.000 0.000 0.000 1.068 202 Q CA -1.290 54.510 55.803 -0.004 0.000 0.785 202 Q CB 1.446 30.183 28.738 -0.002 0.000 1.481 202 Q HN 0.851 nan 8.270 nan 0.000 0.430 203 I N -1.295 119.276 120.570 0.003 0.000 2.382 203 I HA 0.749 4.919 4.170 -0.000 0.000 0.285 203 I C -0.913 175.207 176.117 0.004 0.000 1.007 203 I CA -0.558 60.744 61.300 0.004 0.000 1.142 203 I CB 1.241 39.244 38.000 0.005 0.000 1.289 203 I HN 0.697 nan 8.210 nan 0.000 0.453 204 K N 4.758 125.161 120.400 0.006 0.000 2.617 204 K HA 0.744 5.064 4.320 -0.000 0.000 0.293 204 K C -1.544 175.062 176.600 0.011 0.000 1.034 204 K CA -0.726 55.565 56.287 0.007 0.000 0.884 204 K CB 2.844 35.347 32.500 0.006 0.000 1.541 204 K HN 0.586 nan 8.250 nan 0.000 0.409 205 V N -2.017 117.905 119.914 0.012 0.000 3.126 205 V HA 1.039 5.159 4.120 -0.000 0.000 0.314 205 V C -0.445 175.661 176.094 0.019 0.000 1.138 205 V CA -0.277 62.033 62.300 0.017 0.000 1.034 205 V CB 1.672 33.504 31.823 0.015 0.000 1.075 205 V HN 0.918 nan 8.190 nan 0.000 0.442 206 G N 0.390 109.206 108.800 0.026 0.000 2.405 206 G HA2 0.390 4.350 3.960 -0.000 0.000 0.312 206 G HA3 0.390 4.350 3.960 -0.000 0.000 0.312 206 G C -0.443 174.479 174.900 0.036 0.000 1.579 206 G CA -0.100 45.016 45.100 0.027 0.000 0.933 206 G HN 0.783 nan 8.290 nan 0.000 0.628 207 E N 0.468 120.687 120.200 0.032 0.000 2.072 207 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 207 E C 0.435 177.063 176.600 0.047 0.000 0.985 207 E CA 0.754 57.176 56.400 0.036 0.000 0.801 207 E CB 0.188 29.905 29.700 0.028 0.000 0.750 207 E HN 0.564 nan 8.360 nan 0.000 0.452 208 D N 1.115 121.541 120.400 0.043 0.000 2.383 208 D HA 0.019 4.659 4.640 -0.000 0.000 0.248 208 D C -0.350 175.994 176.300 0.072 0.000 1.170 208 D CA -0.179 53.853 54.000 0.053 0.000 0.977 208 D CB 0.583 41.403 40.800 0.034 0.000 1.120 208 D HN -0.089 nan 8.370 nan 0.000 0.481 209 D N 0.557 121.016 120.400 0.098 0.000 2.401 209 D HA 0.022 4.662 4.640 -0.000 0.000 0.254 209 D C -0.563 175.790 176.300 0.090 0.000 1.192 209 D CA 0.470 54.550 54.000 0.133 0.000 0.885 209 D CB 0.427 41.350 40.800 0.204 0.000 1.147 209 D HN 0.028 nan 8.370 nan 0.000 0.478 210 Q N 1.751 121.600 119.800 0.082 0.000 2.605 210 Q HA 0.278 4.618 4.340 -0.000 0.000 0.296 210 Q C -0.201 175.825 176.000 0.044 0.000 1.056 210 Q CA -0.665 55.167 55.803 0.049 0.000 0.778 210 Q CB 1.238 29.998 28.738 0.036 0.000 1.497 210 Q HN 0.402 nan 8.270 nan 0.000 0.443 211 T N 0.504 115.071 114.554 0.021 0.000 3.214 211 T HA 0.059 4.409 4.350 -0.000 0.000 0.264 211 T C 0.496 175.198 174.700 0.004 0.000 1.012 211 T CA 0.068 62.171 62.100 0.005 0.000 0.901 211 T CB 0.219 69.086 68.868 -0.002 0.000 1.070 211 T HN 0.274 nan 8.240 nan 0.000 0.561 212 E N 1.631 121.840 120.200 0.015 0.000 2.077 212 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 212 E C 1.047 177.651 176.600 0.007 0.000 0.989 212 E CA 0.595 57.002 56.400 0.012 0.000 0.800 212 E CB -0.223 29.488 29.700 0.019 0.000 0.746 212 E HN 0.559 nan 8.360 nan 0.000 0.452 213 A N 1.395 124.224 122.820 0.015 0.000 2.322 213 A HA 0.441 4.761 4.320 -0.000 0.000 0.327 213 A C -0.264 177.318 177.584 -0.004 0.000 1.394 213 A CA -0.307 51.736 52.037 0.010 0.000 0.921 213 A CB 0.476 19.497 19.000 0.035 0.000 1.153 213 A HN 0.074 nan 8.150 nan 0.000 0.523 214 Q N 1.359 121.144 119.800 -0.025 0.000 2.426 214 Q HA 0.520 4.859 4.340 -0.000 0.000 0.278 214 Q C -0.401 175.567 176.000 -0.054 0.000 1.007 214 Q CA 0.033 55.811 55.803 -0.043 0.000 0.850 214 Q CB 1.919 30.629 28.738 -0.047 0.000 1.427 214 Q HN 1.950 nan 8.270 nan 0.000 0.391 215 G N 1.173 109.935 108.800 -0.063 0.000 2.953 215 G HA2 0.019 3.979 3.960 -0.000 0.000 0.203 215 G HA3 0.019 3.979 3.960 -0.000 0.000 0.203 215 G C 0.291 175.130 174.900 -0.101 0.000 1.094 215 G CA 0.144 45.185 45.100 -0.098 0.000 1.016 215 G HN 0.849 nan 8.290 nan 0.000 0.535 216 A N -0.089 122.693 122.820 -0.063 0.000 1.930 216 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 216 A C 2.406 179.959 177.584 -0.053 0.000 1.175 216 A CA 2.165 54.174 52.037 -0.046 0.000 0.627 216 A CB -0.144 18.838 19.000 -0.029 0.000 0.815 216 A HN 1.396 nan 8.150 nan 0.000 0.443 217 L N 0.069 121.259 121.223 -0.054 0.000 2.046 217 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 217 L C 2.263 179.076 176.870 -0.095 0.000 1.077 217 L CA 1.745 56.558 54.840 -0.045 0.000 0.747 217 L CB -0.313 41.751 42.059 0.009 0.000 0.896 217 L HN 0.456 nan 8.230 nan 0.000 0.432 218 I N -0.790 119.670 120.570 -0.185 0.000 2.252 218 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 218 I C 2.212 178.219 176.117 -0.184 0.000 1.102 218 I CA 1.178 62.325 61.300 -0.255 0.000 1.385 218 I CB -0.591 37.166 38.000 -0.406 0.000 1.064 218 I HN 0.367 nan 8.210 nan 0.000 0.414 219 N N 1.397 120.017 118.700 -0.133 0.000 2.120 219 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 219 N C 1.775 177.254 175.510 -0.051 0.000 1.024 219 N CA 1.460 54.460 53.050 -0.082 0.000 0.852 219 N CB -0.145 38.311 38.487 -0.052 0.000 1.003 219 N HN 0.226 nan 8.380 nan 0.000 0.424 220 L N 0.440 121.637 121.223 -0.042 0.000 2.034 220 L HA 0.175 4.515 4.340 -0.000 0.000 0.203 220 L C 2.059 178.913 176.870 -0.027 0.000 1.074 220 L CA 1.362 56.191 54.840 -0.019 0.000 0.748 220 L CB -0.508 41.543 42.059 -0.014 0.000 0.905 220 L HN 0.141 nan 8.230 nan 0.000 0.439 221 I N -0.919 119.625 120.570 -0.044 0.000 2.406 221 I HA -0.134 4.036 4.170 -0.000 0.000 0.249 221 I C 2.155 178.244 176.117 -0.047 0.000 1.122 221 I CA 0.681 61.959 61.300 -0.038 0.000 1.431 221 I CB -0.163 37.816 38.000 -0.035 0.000 1.087 221 I HN 0.365 nan 8.210 nan 0.000 0.424 222 Q N 1.119 120.869 119.800 -0.083 0.000 2.389 222 Q HA 0.019 4.359 4.340 -0.000 0.000 0.204 222 Q C 1.870 177.841 176.000 -0.048 0.000 0.944 222 Q CA 1.147 56.894 55.803 -0.093 0.000 0.908 222 Q CB -0.029 28.578 28.738 -0.218 0.000 1.002 222 Q HN 0.420 nan 8.270 nan 0.000 0.493 223 G N 0.272 109.052 108.800 -0.035 0.000 2.492 223 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 223 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 223 G C 1.183 176.085 174.900 0.003 0.000 1.147 223 G CA 0.315 45.410 45.100 -0.007 0.000 0.809 223 G HN 0.393 nan 8.290 nan 0.000 0.533 224 L N 0.635 121.857 121.223 -0.002 0.000 2.056 224 L HA 0.105 4.445 4.340 -0.000 0.000 0.207 224 L C 2.505 179.377 176.870 0.003 0.000 1.078 224 L CA 1.913 56.754 54.840 0.002 0.000 0.749 224 L CB -0.572 41.485 42.059 -0.003 0.000 0.901 224 L HN 0.281 nan 8.230 nan 0.000 0.433 225 R N -1.094 119.405 120.500 -0.001 0.000 2.052 225 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 225 R C 0.705 177.011 176.300 0.010 0.000 1.149 225 R CA 1.304 57.406 56.100 0.003 0.000 0.962 225 R CB 0.334 30.634 30.300 0.000 0.000 0.856 225 R HN 0.397 nan 8.270 nan 0.000 0.433 226 S N -1.898 113.810 115.700 0.014 0.000 4.189 226 S HA 0.283 4.753 4.470 -0.000 0.000 0.273 226 S C -1.487 173.127 174.600 0.023 0.000 1.014 226 S CA -0.719 57.494 58.200 0.020 0.000 1.236 226 S CB 0.834 64.049 63.200 0.025 0.000 1.789 226 S HN 0.174 nan 8.310 nan 0.000 0.553 227 K N -0.147 120.269 120.400 0.027 0.000 2.480 227 K HA 0.676 4.995 4.320 -0.000 0.000 0.258 227 K C -1.496 175.132 176.600 0.047 0.000 0.990 227 K CA -0.369 55.929 56.287 0.019 0.000 0.857 227 K CB 1.890 34.389 32.500 -0.001 0.000 1.384 227 K HN 0.658 nan 8.250 nan 0.000 0.446 228 H N 0.150 119.136 119.070 -0.140 0.000 3.605 228 H HA 0.310 4.865 4.556 -0.000 0.000 0.307 228 H C 0.408 175.588 175.328 -0.246 0.000 1.692 228 H CA -0.191 55.767 56.048 -0.151 0.000 1.453 228 H CB 1.235 30.922 29.762 -0.124 0.000 1.511 228 H HN 0.486 nan 8.280 nan 0.000 0.809 229 K N -0.354 119.837 120.400 -0.350 0.000 2.057 229 K HA 0.018 4.338 4.320 -0.000 0.000 0.206 229 K C -0.065 176.297 176.600 -0.398 0.000 1.050 229 K CA 1.289 57.365 56.287 -0.351 0.000 0.935 229 K CB -0.401 31.948 32.500 -0.251 0.000 0.715 229 K HN 0.524 nan 8.250 nan 0.000 0.439 230 T N 1.318 115.764 114.554 -0.180 0.000 2.930 230 T HA 0.107 4.457 4.350 -0.000 0.000 0.306 230 T C -0.247 174.309 174.700 -0.240 0.000 1.045 230 T CA -0.064 61.956 62.100 -0.133 0.000 1.134 230 T CB 0.146 69.011 68.868 -0.005 0.000 0.961 230 T HN -0.020 nan 8.240 nan 0.000 0.545 231 F N 4.297 124.259 119.950 0.019 0.000 2.375 231 F HA 0.480 5.006 4.527 -0.000 0.000 0.362 231 F C 0.755 176.559 175.800 0.007 0.000 1.129 231 F CA -0.792 57.215 58.000 0.013 0.000 1.154 231 F CB -0.087 38.914 39.000 0.002 0.000 1.205 231 F HN 0.384 nan 8.300 nan 0.000 0.513 232 I N -0.045 120.596 120.570 0.119 0.000 3.191 232 I HA 1.080 5.249 4.170 -0.000 0.000 0.313 232 I C -0.239 175.914 176.117 0.060 0.000 1.193 232 I CA -1.116 60.226 61.300 0.070 0.000 0.968 232 I CB 2.405 40.420 38.000 0.025 0.000 1.262 232 I HN 0.567 nan 8.210 nan 0.000 0.456 233 G N 0.138 108.964 108.800 0.043 0.000 2.338 233 G HA2 0.632 4.592 3.960 -0.000 0.000 0.295 233 G HA3 0.632 4.592 3.960 -0.000 0.000 0.295 233 G C -0.562 174.360 174.900 0.035 0.000 1.461 233 G CA 0.136 45.259 45.100 0.039 0.000 0.817 233 G HN 1.963 nan 8.290 nan 0.000 0.556 234 G N -1.446 107.375 108.800 0.035 0.000 2.758 234 G HA2 0.235 4.195 3.960 -0.000 0.000 0.686 234 G HA3 0.235 4.195 3.960 -0.000 0.000 0.686 234 G C -0.526 174.400 174.900 0.043 0.000 1.389 234 G CA -0.149 44.976 45.100 0.041 0.000 0.845 234 G HN 1.342 nan 8.290 nan 0.000 0.572 235 I N 0.726 121.325 120.570 0.050 0.000 2.433 235 I HA 0.593 4.762 4.170 -0.000 0.000 0.292 235 I C 0.339 176.498 176.117 0.069 0.000 1.001 235 I CA -0.834 60.491 61.300 0.041 0.000 1.119 235 I CB 1.952 39.963 38.000 0.019 0.000 1.289 235 I HN 0.621 nan 8.210 nan 0.000 0.438 236 I N 5.547 126.163 120.570 0.076 0.000 2.382 236 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 236 I C 0.649 176.775 176.117 0.016 0.000 1.002 236 I CA 0.127 61.499 61.300 0.120 0.000 1.135 236 I CB 1.369 39.516 38.000 0.244 0.000 1.288 236 I HN 0.804 nan 8.210 nan 0.000 0.448 237 S N 6.153 121.785 115.700 -0.113 0.000 2.738 237 S HA 0.645 5.115 4.470 -0.000 0.000 0.216 237 S C 0.475 174.970 174.600 -0.175 0.000 0.968 237 S CA 0.218 58.338 58.200 -0.133 0.000 0.879 237 S CB 0.277 63.390 63.200 -0.146 0.000 0.837 237 S HN 0.743 nan 8.310 nan 0.000 0.622 238 A N 0.282 122.880 122.820 -0.370 0.000 2.520 238 A HA 0.798 5.117 4.320 -0.000 0.000 0.298 238 A C -1.703 175.545 177.584 -0.560 0.000 1.051 238 A CA -0.529 51.333 52.037 -0.292 0.000 0.690 238 A CB 1.052 19.944 19.000 -0.180 0.000 1.281 238 A HN 0.358 nan 8.150 nan 0.000 0.402 239 F N 0.137 120.072 119.950 -0.024 0.000 2.713 239 F HA 0.449 4.976 4.527 -0.000 0.000 0.311 239 F C 0.587 176.344 175.800 -0.072 0.000 1.141 239 F CA -0.857 57.101 58.000 -0.069 0.000 0.939 239 F CB 2.083 40.984 39.000 -0.165 0.000 1.325 239 F HN 0.540 nan 8.300 nan 0.000 0.453 240 N N 0.482 119.276 118.700 0.156 0.000 2.187 240 N HA 0.101 4.841 4.740 -0.000 0.000 0.212 240 N C 0.195 175.686 175.510 -0.033 0.000 1.152 240 N CA -0.131 52.947 53.050 0.047 0.000 0.872 240 N CB 0.482 38.980 38.487 0.019 0.000 1.025 240 N HN 0.269 nan 8.380 nan 0.000 0.514 241 R N 2.032 122.448 120.500 -0.141 0.000 2.873 241 R HA -0.054 4.286 4.340 -0.000 0.000 0.267 241 R C 1.345 177.501 176.300 -0.240 0.000 1.009 241 R CA 0.261 56.142 56.100 -0.365 0.000 1.152 241 R CB 0.374 30.036 30.300 -1.064 0.000 1.047 241 R HN 0.335 nan 8.270 nan 0.000 0.470 242 D N 1.174 121.473 120.400 -0.169 0.000 2.117 242 D HA -0.180 4.459 4.640 -0.000 0.000 0.197 242 D C 0.494 176.853 176.300 0.099 0.000 0.987 242 D CA 1.218 55.228 54.000 0.018 0.000 0.829 242 D CB -0.526 40.314 40.800 0.067 0.000 0.961 242 D HN 0.601 nan 8.370 nan 0.000 0.460 243 Y N 1.155 121.495 120.300 0.066 0.000 2.465 243 Y HA 0.405 4.955 4.550 -0.000 0.000 0.331 243 Y C 0.595 176.559 175.900 0.105 0.000 1.102 243 Y CA -1.312 56.828 58.100 0.066 0.000 1.358 243 Y CB 0.138 38.610 38.460 0.020 0.000 1.213 243 Y HN -0.220 nan 8.280 nan 0.000 0.525 244 L N 6.173 127.520 121.223 0.205 0.000 2.456 244 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 244 L C -1.300 175.676 176.870 0.177 0.000 1.189 244 L CA -1.592 53.319 54.840 0.118 0.000 0.846 244 L CB 0.507 42.582 42.059 0.027 0.000 1.111 244 L HN 0.513 nan 8.230 nan 0.000 0.475 245 P HA -0.088 nan 4.420 nan 0.000 0.218 245 P C 0.378 177.745 177.300 0.112 0.000 1.149 245 P CA 0.974 64.171 63.100 0.162 0.000 0.817 245 P CB 0.153 31.903 31.700 0.084 0.000 0.785 246 N N -3.488 115.249 118.700 0.063 0.000 2.679 246 N HA -0.214 4.525 4.740 -0.000 0.000 0.208 246 N C 0.959 176.477 175.510 0.013 0.000 1.118 246 N CA 1.292 54.361 53.050 0.031 0.000 1.882 246 N CB -1.851 36.656 38.487 0.033 0.000 0.903 246 N HN 0.107 nan 8.380 nan 0.000 0.525 247 L N 1.991 123.224 121.223 0.016 0.000 2.093 247 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 247 L C 2.538 179.408 176.870 0.000 0.000 1.085 247 L CA 2.819 57.660 54.840 0.002 0.000 0.755 247 L CB -0.996 41.058 42.059 -0.009 0.000 0.904 247 L HN 0.447 nan 8.230 nan 0.000 0.435 248 T N -2.448 112.109 114.554 0.005 0.000 2.746 248 T HA -0.221 4.128 4.350 -0.000 0.000 0.267 248 T C 1.868 176.570 174.700 0.004 0.000 1.039 248 T CA 2.019 64.124 62.100 0.008 0.000 1.142 248 T CB -0.275 68.603 68.868 0.018 0.000 0.866 248 T HN 0.487 nan 8.240 nan 0.000 0.444 249 T N -0.163 114.388 114.554 -0.006 0.000 3.067 249 T HA 0.044 4.394 4.350 -0.000 0.000 0.257 249 T C 1.862 176.559 174.700 -0.005 0.000 1.105 249 T CA 1.445 63.540 62.100 -0.009 0.000 1.104 249 T CB -0.420 68.432 68.868 -0.027 0.000 0.925 249 T HN 0.439 nan 8.240 nan 0.000 0.498 250 T N 1.466 116.019 114.554 -0.003 0.000 2.896 250 T HA 0.196 4.546 4.350 -0.000 0.000 0.263 250 T C 1.795 176.496 174.700 0.002 0.000 1.050 250 T CA 0.661 62.761 62.100 -0.000 0.000 1.140 250 T CB -0.104 68.763 68.868 -0.001 0.000 0.877 250 T HN 0.346 nan 8.240 nan 0.000 0.457 251 I N 1.721 122.292 120.570 0.002 0.000 2.315 251 I HA -0.037 4.133 4.170 -0.000 0.000 0.248 251 I C 2.040 178.162 176.117 0.008 0.000 1.117 251 I CA 1.210 62.512 61.300 0.003 0.000 1.404 251 I CB -0.244 37.757 38.000 0.001 0.000 1.071 251 I HN 0.307 nan 8.210 nan 0.000 0.419 252 I N -0.993 119.585 120.570 0.013 0.000 3.812 252 I HA 0.033 4.203 4.170 -0.000 0.000 0.320 252 I C 1.771 177.900 176.117 0.019 0.000 1.276 252 I CA 0.225 61.537 61.300 0.021 0.000 1.164 252 I CB -0.210 37.809 38.000 0.033 0.000 1.009 252 I HN 0.019 nan 8.210 nan 0.000 0.431 253 V N -1.768 118.153 119.914 0.011 0.000 2.949 253 V HA 0.041 4.161 4.120 -0.000 0.000 0.245 253 V C 2.088 178.185 176.094 0.005 0.000 1.086 253 V CA 0.401 62.706 62.300 0.009 0.000 1.097 253 V CB -0.120 31.707 31.823 0.006 0.000 0.762 253 V HN 0.415 nan 8.190 nan 0.000 0.470 254 L N 1.735 122.960 121.223 0.003 0.000 2.095 254 L HA 0.367 4.706 4.340 -0.000 0.000 0.204 254 L C 2.590 179.458 176.870 -0.004 0.000 1.080 254 L CA 2.158 56.996 54.840 -0.003 0.000 0.759 254 L CB -0.910 41.147 42.059 -0.004 0.000 0.914 254 L HN 0.270 nan 8.230 nan 0.000 0.439 255 A N -0.009 122.813 122.820 0.003 0.000 1.902 255 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 255 A C 2.208 179.798 177.584 0.009 0.000 1.181 255 A CA 2.078 54.118 52.037 0.006 0.000 0.623 255 A CB -0.841 18.167 19.000 0.014 0.000 0.818 255 A HN 0.511 nan 8.150 nan 0.000 0.443 256 I N -0.324 120.254 120.570 0.012 0.000 2.315 256 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 256 I C 2.898 179.015 176.117 0.000 0.000 1.117 256 I CA 0.936 62.243 61.300 0.012 0.000 1.404 256 I CB -0.488 37.521 38.000 0.016 0.000 1.071 256 I HN 0.315 nan 8.210 nan 0.000 0.419 257 A N 1.470 124.285 122.820 -0.007 0.000 1.933 257 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 257 A C 2.325 179.887 177.584 -0.037 0.000 1.175 257 A CA 1.495 53.519 52.037 -0.022 0.000 0.628 257 A CB -0.798 18.189 19.000 -0.022 0.000 0.814 257 A HN 0.387 nan 8.150 nan 0.000 0.444 258 I N -0.224 120.329 120.570 -0.028 0.000 2.226 258 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 258 I C 2.115 178.235 176.117 0.006 0.000 1.100 258 I CA 1.717 62.998 61.300 -0.031 0.000 1.374 258 I CB -0.255 37.727 38.000 -0.029 0.000 1.057 258 I HN 0.555 nan 8.210 nan 0.000 0.413 259 I N -2.923 117.661 120.570 0.023 0.000 3.783 259 I HA 0.066 4.236 4.170 -0.000 0.000 0.310 259 I C 1.677 177.822 176.117 0.046 0.000 1.274 259 I CA 0.773 62.114 61.300 0.068 0.000 1.294 259 I CB -0.014 38.019 38.000 0.055 0.000 1.051 259 I HN -0.092 nan 8.210 nan 0.000 0.435 260 V N -0.712 119.204 119.914 0.004 0.000 3.644 260 V HA 0.081 4.201 4.120 -0.000 0.000 0.267 260 V C 1.848 177.916 176.094 -0.043 0.000 1.277 260 V CA 0.849 63.138 62.300 -0.019 0.000 1.096 260 V CB 0.481 32.294 31.823 -0.018 0.000 0.828 260 V HN 0.729 nan 8.190 nan 0.000 0.446 261 C N -0.761 118.497 119.300 -0.071 0.000 2.673 261 C HA 0.146 4.606 4.460 -0.000 0.000 0.264 261 C C 2.078 176.960 174.990 -0.180 0.000 1.304 261 C CA 0.400 59.313 59.018 -0.174 0.000 1.727 261 C CB -0.767 26.791 27.740 -0.305 0.000 1.932 261 C HN 0.752 nan 8.230 nan 0.000 0.563 262 Y N -0.097 120.114 120.300 -0.147 0.000 2.478 262 Y HA 0.287 4.837 4.550 -0.000 0.000 0.261 262 Y C 1.700 177.574 175.900 -0.045 0.000 1.127 262 Y CA 0.487 58.526 58.100 -0.102 0.000 1.288 262 Y CB -0.260 38.148 38.460 -0.087 0.000 1.084 262 Y HN 0.228 nan 8.280 nan 0.000 0.530 263 L N 0.590 121.648 121.223 -0.275 0.000 2.240 263 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 263 L C 2.228 178.965 176.870 -0.223 0.000 1.106 263 L CA 1.680 56.360 54.840 -0.267 0.000 0.793 263 L CB -0.607 41.382 42.059 -0.118 0.000 0.927 263 L HN 0.332 nan 8.230 nan 0.000 0.446 264 Q N -1.903 117.812 119.800 -0.142 0.000 2.311 264 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 264 Q C 2.050 178.010 176.000 -0.067 0.000 0.954 264 Q CA 1.088 56.858 55.803 -0.055 0.000 0.885 264 Q CB 0.111 28.885 28.738 0.059 0.000 0.963 264 Q HN 0.474 nan 8.270 nan 0.000 0.471 265 S N -0.914 114.686 115.700 -0.167 0.000 2.528 265 S HA 0.094 4.564 4.470 -0.000 0.000 0.219 265 S C 0.273 174.712 174.600 -0.269 0.000 0.985 265 S CA -0.219 57.903 58.200 -0.130 0.000 0.914 265 S CB 0.366 63.555 63.200 -0.019 0.000 0.776 265 S HN 0.137 nan 8.310 nan 0.000 0.526 266 V N 3.131 122.778 119.914 -0.445 0.000 2.488 266 V HA 0.444 4.564 4.120 -0.000 0.000 0.277 266 V C 0.257 176.260 176.094 -0.152 0.000 1.046 266 V CA 0.035 62.165 62.300 -0.283 0.000 0.986 266 V CB 0.683 32.333 31.823 -0.288 0.000 0.989 266 V HN 0.329 nan 8.190 nan 0.000 0.475 267 R N 2.716 123.161 120.500 -0.093 0.000 2.836 267 R HA 0.747 5.087 4.340 -0.000 0.000 0.269 267 R C -1.628 174.637 176.300 -0.058 0.000 1.010 267 R CA -0.928 55.127 56.100 -0.075 0.000 0.930 267 R CB 2.465 32.722 30.300 -0.073 0.000 1.218 267 R HN 0.453 nan 8.270 nan 0.000 0.473 268 V N 1.321 121.198 119.914 -0.061 0.000 2.328 268 V HA 0.248 4.368 4.120 -0.000 0.000 0.278 268 V C -0.094 175.970 176.094 -0.050 0.000 1.021 268 V CA -0.826 61.448 62.300 -0.044 0.000 0.838 268 V CB 0.825 32.627 31.823 -0.035 0.000 0.999 268 V HN 0.763 nan 8.190 nan 0.000 0.447 269 E N 6.054 126.238 120.200 -0.027 0.000 2.227 269 E HA 0.687 5.037 4.350 -0.000 0.000 0.282 269 E C -1.243 175.365 176.600 0.014 0.000 1.015 269 E CA -0.740 55.652 56.400 -0.015 0.000 0.823 269 E CB 1.736 31.435 29.700 -0.001 0.000 1.081 269 E HN 0.615 nan 8.360 nan 0.000 0.396 270 L N 3.965 125.216 121.223 0.048 0.000 2.372 270 L HA 0.430 4.770 4.340 -0.000 0.000 0.273 270 L C -2.454 174.479 176.870 0.106 0.000 0.989 270 L CA -2.428 52.464 54.840 0.087 0.000 0.841 270 L CB 1.739 43.891 42.059 0.155 0.000 1.225 270 L HN 0.398 nan 8.230 nan 0.000 0.414 271 P HA 0.372 nan 4.420 nan 0.000 0.274 271 P C -0.744 176.577 177.300 0.036 0.000 1.231 271 P CA -0.199 62.931 63.100 0.050 0.000 0.790 271 P CB 1.014 32.732 31.700 0.030 0.000 0.951 272 I N -1.678 118.904 120.570 0.020 0.000 3.239 272 I HA 0.808 4.978 4.170 -0.000 0.000 0.314 272 I C -0.479 175.636 176.117 -0.003 0.000 1.126 272 I CA -1.441 59.854 61.300 -0.008 0.000 0.973 272 I CB 2.860 40.833 38.000 -0.045 0.000 1.252 272 I HN 0.005 nan 8.210 nan 0.000 0.463 273 R N 1.600 122.095 120.500 -0.009 0.000 2.568 273 R HA 0.386 4.726 4.340 -0.000 0.000 0.232 273 R C -1.113 175.184 176.300 -0.004 0.000 1.412 273 R CA 0.503 56.601 56.100 -0.003 0.000 1.492 273 R CB 0.351 30.651 30.300 0.000 0.000 1.441 273 R HN 1.073 nan 8.270 nan 0.000 0.768 274 S N -2.878 112.818 115.700 -0.007 0.000 4.140 274 S HA 0.313 4.782 4.470 -0.000 0.000 0.286 274 S C 0.423 175.015 174.600 -0.014 0.000 1.074 274 S CA 0.196 58.391 58.200 -0.008 0.000 1.289 274 S CB 1.428 64.627 63.200 -0.002 0.000 1.584 274 S HN -0.067 nan 8.310 nan 0.000 0.675 275 T N -0.300 114.248 114.554 -0.010 0.000 2.969 275 T HA 0.452 4.802 4.350 -0.000 0.000 0.258 275 T C -0.094 174.603 174.700 -0.005 0.000 0.962 275 T CA 0.097 62.191 62.100 -0.011 0.000 0.903 275 T CB -0.148 68.713 68.868 -0.012 0.000 1.177 275 T HN 0.730 nan 8.240 nan 0.000 0.511 276 R N 0.455 120.953 120.500 -0.003 0.000 3.963 276 R HA 0.495 4.835 4.340 -0.000 0.000 0.314 276 R C -1.659 174.641 176.300 0.001 0.000 0.853 276 R CA 0.494 56.593 56.100 -0.001 0.000 1.136 276 R CB -0.182 30.118 30.300 -0.000 0.000 1.382 276 R HN 0.364 nan 8.270 nan 0.000 0.465 277 A N 2.864 125.685 122.820 0.001 0.000 2.462 277 A HA 0.264 4.584 4.320 -0.000 0.000 0.307 277 A C -1.892 175.693 177.584 0.002 0.000 0.893 277 A CA -0.705 51.333 52.037 0.002 0.000 0.531 277 A CB 0.291 19.293 19.000 0.003 0.000 1.518 277 A HN 0.712 nan 8.150 nan 0.000 0.529 278 R N 0.321 120.822 120.500 0.002 0.000 2.451 278 R HA 0.754 5.094 4.340 -0.000 0.000 0.307 278 R C 0.225 176.527 176.300 0.003 0.000 0.965 278 R CA -0.198 55.904 56.100 0.002 0.000 0.865 278 R CB 1.466 31.767 30.300 0.002 0.000 1.174 278 R HN 2.627 nan 8.270 nan 0.000 0.455 279 G N 0.540 109.342 108.800 0.004 0.000 2.369 279 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.295 279 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.295 279 G C -1.048 173.855 174.900 0.006 0.000 1.298 279 G CA -0.699 44.404 45.100 0.005 0.000 0.940 279 G HN 0.494 nan 8.290 nan 0.000 0.536 280 T N -0.367 114.191 114.554 0.008 0.000 2.937 280 T HA 0.462 4.812 4.350 -0.000 0.000 0.316 280 T C 0.629 175.336 174.700 0.011 0.000 1.079 280 T CA 1.323 63.429 62.100 0.010 0.000 1.131 280 T CB 0.491 69.366 68.868 0.012 0.000 1.000 280 T HN 0.886 nan 8.240 nan 0.000 0.549 281 N N 1.740 120.449 118.700 0.014 0.000 3.585 281 N HA 0.292 5.032 4.740 -0.000 0.000 0.298 281 N C -1.079 174.447 175.510 0.026 0.000 1.392 281 N CA -0.599 52.460 53.050 0.015 0.000 0.683 281 N CB 0.431 38.922 38.487 0.008 0.000 3.422 281 N HN 0.718 nan 8.380 nan 0.000 0.473 282 N N -0.344 118.375 118.700 0.032 0.000 2.441 282 N HA 0.034 4.774 4.740 -0.000 0.000 0.251 282 N C 0.300 175.858 175.510 0.079 0.000 1.242 282 N CA 0.050 53.137 53.050 0.060 0.000 0.898 282 N CB 1.281 39.817 38.487 0.081 0.000 1.100 282 N HN 0.250 nan 8.380 nan 0.000 0.443 283 V N 3.278 123.243 119.914 0.085 0.000 3.608 283 V HA 0.010 4.129 4.120 -0.000 0.000 0.269 283 V C -0.134 176.020 176.094 0.099 0.000 1.245 283 V CA 0.089 62.431 62.300 0.071 0.000 1.138 283 V CB -1.329 30.519 31.823 0.041 0.000 0.841 283 V HN 0.825 nan 8.190 nan 0.000 0.451 284 Y N 2.694 122.989 120.300 -0.008 0.000 2.971 284 Y HA -0.175 4.375 4.550 -0.000 0.000 0.203 284 Y C -2.073 173.820 175.900 -0.013 0.000 1.396 284 Y CA -0.376 57.717 58.100 -0.013 0.000 0.901 284 Y CB -0.342 38.108 38.460 -0.017 0.000 1.401 284 Y HN 0.353 nan 8.280 nan 0.000 0.347 285 P HA 0.326 nan 4.420 nan 0.000 0.277 285 P C -0.325 176.676 177.300 -0.498 0.000 1.240 285 P CA -0.217 62.700 63.100 -0.304 0.000 0.798 285 P CB 1.410 33.008 31.700 -0.171 0.000 0.979 286 I N -2.171 118.208 120.570 -0.319 0.000 2.603 286 I HA 0.530 4.700 4.170 -0.000 0.000 0.300 286 I C -0.230 175.805 176.117 -0.137 0.000 1.017 286 I CA -1.551 59.596 61.300 -0.256 0.000 1.098 286 I CB 2.060 39.957 38.000 -0.171 0.000 1.279 286 I HN 0.066 nan 8.210 nan 0.000 0.437 287 K N 3.632 123.980 120.400 -0.087 0.000 2.451 287 K HA 0.119 4.439 4.320 -0.000 0.000 0.280 287 K C 0.493 177.084 176.600 -0.013 0.000 1.020 287 K CA -0.089 56.179 56.287 -0.032 0.000 1.008 287 K CB 1.487 34.006 32.500 0.032 0.000 0.917 287 K HN 0.625 nan 8.250 nan 0.000 0.478 288 L N 3.772 124.981 121.223 -0.024 0.000 2.102 288 L HA -0.027 4.313 4.340 -0.000 0.000 0.202 288 L C 1.766 178.623 176.870 -0.022 0.000 1.076 288 L CA 1.056 55.876 54.840 -0.033 0.000 0.761 288 L CB 0.054 42.077 42.059 -0.059 0.000 0.921 288 L HN 0.670 nan 8.230 nan 0.000 0.444 289 L N -2.041 119.183 121.223 0.002 0.000 2.375 289 L HA -0.090 4.249 4.340 -0.000 0.000 0.215 289 L C 1.994 178.879 176.870 0.025 0.000 1.108 289 L CA 0.567 55.408 54.840 0.001 0.000 0.830 289 L CB -0.017 42.051 42.059 0.016 0.000 0.959 289 L HN 0.268 nan 8.230 nan 0.000 0.457 290 Y N -0.362 119.890 120.300 -0.081 0.000 2.517 290 Y HA -0.047 4.503 4.550 -0.000 0.000 0.281 290 Y C 2.252 178.081 175.900 -0.118 0.000 1.125 290 Y CA 1.317 59.363 58.100 -0.091 0.000 1.283 290 Y CB -0.122 38.299 38.460 -0.065 0.000 1.042 290 Y HN 0.093 nan 8.280 nan 0.000 0.547 291 T N -1.273 113.231 114.554 -0.084 0.000 2.812 291 T HA -0.085 4.265 4.350 -0.000 0.000 0.264 291 T C 1.928 176.442 174.700 -0.310 0.000 1.042 291 T CA 1.441 63.451 62.100 -0.151 0.000 1.140 291 T CB -0.656 68.186 68.868 -0.043 0.000 0.870 291 T HN 0.460 nan 8.240 nan 0.000 0.445 292 G N -0.377 108.279 108.800 -0.241 0.000 2.920 292 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.208 292 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.208 292 G C 1.702 176.402 174.900 -0.334 0.000 1.159 292 G CA 0.268 45.212 45.100 -0.260 0.000 0.784 292 G HN 0.538 nan 8.290 nan 0.000 0.535 293 C N -0.129 118.926 119.300 -0.407 0.000 2.429 293 C HA 0.044 4.504 4.460 -0.000 0.000 0.277 293 C C 2.624 177.311 174.990 -0.504 0.000 1.262 293 C CA 0.811 59.589 59.018 -0.399 0.000 1.733 293 C CB -0.607 26.840 27.740 -0.488 0.000 2.010 293 C HN 0.340 nan 8.230 nan 0.000 0.483 294 L N 0.457 121.224 121.223 -0.760 0.000 2.341 294 L HA 0.087 4.427 4.340 -0.000 0.000 0.214 294 L C 2.734 178.864 176.870 -1.233 0.000 1.115 294 L CA 1.505 55.744 54.840 -1.003 0.000 0.820 294 L CB -0.745 40.593 42.059 -1.203 0.000 0.944 294 L HN 0.342 nan 8.230 nan 0.000 0.452 295 S N -1.083 114.116 115.700 -0.835 0.000 2.387 295 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 295 S C 1.913 176.418 174.600 -0.160 0.000 1.026 295 S CA 1.301 59.260 58.200 -0.401 0.000 0.972 295 S CB -0.043 63.034 63.200 -0.206 0.000 0.814 295 S HN 0.219 nan 8.310 nan 0.000 0.477 296 V N 1.201 121.009 119.914 -0.176 0.000 3.235 296 V HA 0.236 4.356 4.120 -0.000 0.000 0.259 296 V C 1.800 177.912 176.094 0.031 0.000 1.133 296 V CA 0.714 63.006 62.300 -0.013 0.000 1.128 296 V CB -0.260 31.541 31.823 -0.036 0.000 0.757 296 V HN 0.485 nan 8.190 nan 0.000 0.469 297 L N -1.087 120.060 121.223 -0.127 0.000 2.109 297 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 297 L C 2.289 179.215 176.870 0.093 0.000 1.086 297 L CA 1.812 56.636 54.840 -0.027 0.000 0.760 297 L CB -0.505 41.449 42.059 -0.176 0.000 0.910 297 L HN 0.310 nan 8.230 nan 0.000 0.437 298 F N -1.229 118.649 119.950 -0.121 0.000 2.134 298 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 298 F C 2.937 178.712 175.800 -0.040 0.000 1.097 298 F CA 0.959 58.762 58.000 -0.329 0.000 1.264 298 F CB -0.338 37.999 39.000 -1.105 0.000 1.001 298 F HN 0.040 nan 8.300 nan 0.000 0.479 299 S N -0.602 115.329 115.700 0.384 0.000 2.368 299 S HA -0.242 4.228 4.470 -0.000 0.000 0.224 299 S C 1.855 176.734 174.600 0.466 0.000 1.029 299 S CA 1.075 59.588 58.200 0.522 0.000 0.988 299 S CB -0.502 62.955 63.200 0.428 0.000 0.838 299 S HN 0.430 nan 8.310 nan 0.000 0.462 300 Y N 1.850 122.326 120.300 0.293 0.000 2.420 300 Y HA 0.110 4.660 4.550 -0.000 0.000 0.292 300 Y C 2.501 178.668 175.900 0.446 0.000 1.119 300 Y CA 1.464 59.760 58.100 0.327 0.000 1.229 300 Y CB -0.742 37.908 38.460 0.316 0.000 1.026 300 Y HN 0.218 nan 8.280 nan 0.000 0.554 301 T N 0.670 115.506 114.554 0.470 0.000 2.788 301 T HA -0.166 4.183 4.350 -0.000 0.000 0.268 301 T C 1.935 176.963 174.700 0.547 0.000 1.044 301 T CA 1.677 64.126 62.100 0.581 0.000 1.139 301 T CB -0.397 68.746 68.868 0.458 0.000 0.867 301 T HN 0.361 nan 8.240 nan 0.000 0.454 302 I N 0.803 121.610 120.570 0.395 0.000 3.291 302 I HA 0.080 4.250 4.170 -0.000 0.000 0.279 302 I C 0.819 177.080 176.117 0.240 0.000 1.294 302 I CA 0.662 62.186 61.300 0.373 0.000 1.428 302 I CB 0.087 38.332 38.000 0.408 0.000 1.070 302 I HN 0.218 nan 8.210 nan 0.000 0.478 303 L N -0.199 121.004 121.223 -0.033 0.000 2.629 303 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 303 L C -0.031 176.455 176.870 -0.640 0.000 1.151 303 L CA 0.097 54.708 54.840 -0.380 0.000 0.924 303 L CB -0.122 41.554 42.059 -0.638 0.000 1.137 303 L HN 0.142 nan 8.230 nan 0.000 0.457 304 F N -2.762 117.383 119.950 0.326 0.000 2.875 304 F HA 0.199 4.726 4.527 -0.000 0.000 0.334 304 F C 0.539 176.550 175.800 0.351 0.000 1.228 304 F CA -0.413 57.803 58.000 0.359 0.000 1.094 304 F CB 0.096 39.304 39.000 0.347 0.000 1.239 304 F HN -0.128 nan 8.300 nan 0.000 0.509 305 Y N -0.426 120.106 120.300 0.387 0.000 2.450 305 Y HA 0.432 4.982 4.550 -0.000 0.000 0.279 305 Y C 0.764 176.763 175.900 0.166 0.000 1.106 305 Y CA -0.780 57.491 58.100 0.285 0.000 1.143 305 Y CB 0.598 39.158 38.460 0.166 0.000 1.328 305 Y HN -0.227 nan 8.280 nan 0.000 0.553 306 I N 0.906 121.648 120.570 0.286 0.000 2.588 306 I HA -0.040 4.130 4.170 -0.000 0.000 0.283 306 I C 1.636 177.785 176.117 0.052 0.000 1.119 306 I CA 0.288 61.662 61.300 0.122 0.000 1.419 306 I CB 0.925 38.953 38.000 0.045 0.000 1.394 306 I HN 0.185 nan 8.210 nan 0.000 0.562 307 H N 6.217 125.249 119.070 -0.064 0.000 2.389 307 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 307 H C 1.713 176.934 175.328 -0.178 0.000 1.081 307 H CA 1.883 57.884 56.048 -0.078 0.000 1.345 307 H CB 0.200 29.927 29.762 -0.059 0.000 1.393 307 H HN 0.625 nan 8.280 nan 0.000 0.520 308 I N -0.584 119.726 120.570 -0.433 0.000 2.252 308 I HA -0.140 4.029 4.170 -0.000 0.000 0.245 308 I C -0.127 175.638 176.117 -0.585 0.000 1.102 308 I CA 0.944 61.843 61.300 -0.669 0.000 1.385 308 I CB -0.051 37.296 38.000 -1.088 0.000 1.064 308 I HN 0.211 nan 8.210 nan 0.000 0.414 309 F N 0.095 119.945 119.950 -0.166 0.000 3.098 309 F HA 0.818 5.345 4.527 -0.000 0.000 0.403 309 F C -0.530 175.129 175.800 -0.234 0.000 1.195 309 F CA -1.490 56.370 58.000 -0.234 0.000 1.220 309 F CB -0.687 38.137 39.000 -0.293 0.000 2.443 309 F HN -0.098 nan 8.300 nan 0.000 0.632 310 A N 0.073 122.881 122.820 -0.020 0.000 2.599 310 A HA 0.695 5.015 4.320 -0.000 0.000 0.290 310 A C -0.477 177.114 177.584 0.012 0.000 1.101 310 A CA -0.748 51.286 52.037 -0.004 0.000 0.674 310 A CB 0.431 19.501 19.000 0.117 0.000 1.277 310 A HN 0.271 nan 8.150 nan 0.000 0.419 311 F N 0.274 120.277 119.950 0.087 0.000 2.084 311 F HA -0.142 4.385 4.527 -0.000 0.000 0.296 311 F C 2.656 178.447 175.800 -0.014 0.000 1.111 311 F CA 2.921 60.954 58.000 0.055 0.000 1.224 311 F CB 0.084 39.179 39.000 0.157 0.000 0.991 311 F HN 0.470 nan 8.300 nan 0.000 0.471 312 V N -1.727 118.399 119.914 0.353 0.000 2.453 312 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 312 V C 1.701 177.889 176.094 0.156 0.000 1.048 312 V CA 1.413 63.871 62.300 0.262 0.000 1.049 312 V CB -0.663 31.348 31.823 0.313 0.000 0.672 312 V HN 0.313 nan 8.190 nan 0.000 0.457 313 L N -0.858 120.455 121.223 0.149 0.000 2.640 313 L HA 0.502 4.842 4.340 -0.000 0.000 0.230 313 L C 1.610 178.541 176.870 0.102 0.000 1.123 313 L CA 1.022 55.973 54.840 0.185 0.000 0.900 313 L CB -0.061 42.157 42.059 0.266 0.000 1.146 313 L HN 0.278 nan 8.230 nan 0.000 0.484 314 I N -1.902 118.619 120.570 -0.081 0.000 4.187 314 I HA 0.046 4.215 4.170 -0.000 0.000 0.326 314 I C 1.756 177.672 176.117 -0.336 0.000 1.302 314 I CA 0.141 61.327 61.300 -0.189 0.000 1.196 314 I CB 0.357 38.248 38.000 -0.182 0.000 1.095 314 I HN 0.248 nan 8.210 nan 0.000 0.411 315 Q N 1.407 120.918 119.800 -0.480 0.000 2.378 315 Q HA -0.027 4.313 4.340 -0.000 0.000 0.205 315 Q C 2.135 178.064 176.000 -0.119 0.000 0.954 315 Q CA 0.884 56.392 55.803 -0.492 0.000 0.901 315 Q CB 0.323 28.822 28.738 -0.400 0.000 0.981 315 Q HN 0.536 nan 8.270 nan 0.000 0.483 316 L N -0.851 120.369 121.223 -0.006 0.000 2.072 316 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 316 L C 2.171 179.086 176.870 0.074 0.000 1.079 316 L CA 0.651 55.556 54.840 0.109 0.000 0.752 316 L CB -0.319 41.870 42.059 0.217 0.000 0.906 316 L HN 0.114 nan 8.230 nan 0.000 0.436 317 V N -0.386 119.560 119.914 0.052 0.000 3.608 317 V HA 0.152 4.271 4.120 -0.000 0.000 0.269 317 V C 2.200 178.299 176.094 0.009 0.000 1.245 317 V CA 0.969 63.300 62.300 0.051 0.000 1.138 317 V CB 0.497 32.379 31.823 0.099 0.000 0.841 317 V HN 0.331 nan 8.190 nan 0.000 0.451 318 A N 0.256 123.079 122.820 0.004 0.000 1.903 318 A HA -0.059 4.261 4.320 -0.000 0.000 0.213 318 A C 2.117 179.725 177.584 0.041 0.000 1.185 318 A CA 1.628 53.685 52.037 0.033 0.000 0.628 318 A CB -0.388 18.680 19.000 0.113 0.000 0.830 318 A HN 0.461 nan 8.150 nan 0.000 0.446 319 K N 1.027 121.449 120.400 0.036 0.000 2.057 319 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 319 K C 0.077 176.683 176.600 0.010 0.000 1.050 319 K CA 1.113 57.421 56.287 0.035 0.000 0.935 319 K CB -0.590 31.939 32.500 0.048 0.000 0.715 319 K HN 0.610 nan 8.250 nan 0.000 0.439 320 N N 0.875 119.571 118.700 -0.008 0.000 2.488 320 N HA 0.033 4.772 4.740 -0.000 0.000 0.274 320 N C -0.075 175.428 175.510 -0.011 0.000 1.111 320 N CA -0.075 52.951 53.050 -0.040 0.000 0.974 320 N CB 1.152 39.595 38.487 -0.073 0.000 1.089 320 N HN 0.239 nan 8.380 nan 0.000 0.465 321 E N 0.432 120.625 120.200 -0.012 0.000 2.481 321 E HA 0.126 4.476 4.350 -0.000 0.000 0.198 321 E C -1.979 174.622 176.600 0.002 0.000 1.027 321 E CA -0.535 55.864 56.400 -0.002 0.000 0.900 321 E CB -0.630 29.070 29.700 -0.000 0.000 0.993 321 E HN 0.427 nan 8.360 nan 0.000 0.482 322 P HA 0.147 nan 4.420 nan 0.000 0.279 322 P C -0.674 176.634 177.300 0.014 0.000 1.239 322 P CA -0.100 63.033 63.100 0.055 0.000 0.789 322 P CB 1.397 33.220 31.700 0.205 0.000 0.933 323 T N -0.167 114.254 114.554 -0.221 0.000 2.815 323 T HA 0.614 4.964 4.350 -0.000 0.000 0.289 323 T C -0.409 173.994 174.700 -0.496 0.000 1.000 323 T CA -0.471 61.503 62.100 -0.210 0.000 0.958 323 T CB 1.056 69.840 68.868 -0.139 0.000 0.944 323 T HN 0.506 nan 8.240 nan 0.000 0.442 324 H N 1.318 120.397 119.070 0.014 0.000 4.408 324 H HA 0.460 5.016 4.556 -0.000 0.000 0.433 324 H C 1.389 176.729 175.328 0.020 0.000 1.166 324 H CA -0.698 55.359 56.048 0.014 0.000 0.670 324 H CB 0.214 29.982 29.762 0.010 0.000 1.054 324 H HN 0.464 nan 8.280 nan 0.000 0.780 325 I N 1.401 122.084 120.570 0.189 0.000 2.286 325 I HA -0.033 4.136 4.170 -0.000 0.000 0.248 325 I C 0.185 176.366 176.117 0.107 0.000 1.115 325 I CA 1.233 62.597 61.300 0.107 0.000 1.392 325 I CB 0.108 38.153 38.000 0.074 0.000 1.065 325 I HN 0.339 nan 8.210 nan 0.000 0.418 326 I N -0.860 119.787 120.570 0.129 0.000 2.392 326 I HA 0.461 4.631 4.170 -0.000 0.000 0.295 326 I C -0.448 175.737 176.117 0.114 0.000 0.985 326 I CA -0.689 60.705 61.300 0.158 0.000 1.221 326 I CB 1.466 39.571 38.000 0.176 0.000 1.366 326 I HN 0.039 nan 8.210 nan 0.000 0.467 327 C N 4.634 123.976 119.300 0.069 0.000 3.320 327 C HA 0.374 4.834 4.460 -0.000 0.000 0.335 327 C C 0.383 175.343 174.990 -0.050 0.000 1.430 327 C CA -0.821 58.202 59.018 0.008 0.000 1.271 327 C CB 2.306 30.044 27.740 -0.003 0.000 1.609 327 C HN 1.032 nan 8.230 nan 0.000 0.457 328 K N 2.022 122.351 120.400 -0.117 0.000 2.627 328 K HA 0.173 4.493 4.320 -0.000 0.000 0.212 328 K C 1.051 177.391 176.600 -0.434 0.000 1.041 328 K CA 0.636 56.765 56.287 -0.263 0.000 1.205 328 K CB -0.398 31.924 32.500 -0.297 0.000 0.936 328 K HN 0.765 nan 8.250 nan 0.000 0.489 329 I N -2.988 117.470 120.570 -0.188 0.000 2.928 329 I HA -0.101 4.068 4.170 -0.000 0.000 0.266 329 I C 1.559 177.631 176.117 -0.075 0.000 1.234 329 I CA 0.367 61.624 61.300 -0.071 0.000 1.483 329 I CB -0.345 37.659 38.000 0.007 0.000 1.097 329 I HN 0.042 nan 8.210 nan 0.000 0.455 330 M N 1.938 121.451 119.600 -0.145 0.000 2.175 330 M HA 0.206 4.686 4.480 -0.000 0.000 0.264 330 M C 1.116 177.328 176.300 -0.147 0.000 1.063 330 M CA 1.139 56.328 55.300 -0.185 0.000 1.119 330 M CB -1.349 31.052 32.600 -0.331 0.000 1.377 330 M HN 0.519 nan 8.290 nan 0.000 0.415 331 G N -1.060 107.651 108.800 -0.148 0.000 2.384 331 G HA2 0.344 4.304 3.960 -0.000 0.000 0.300 331 G HA3 0.344 4.304 3.960 -0.000 0.000 0.300 331 G C -1.945 172.916 174.900 -0.066 0.000 1.582 331 G CA -0.917 44.141 45.100 -0.070 0.000 0.875 331 G HN 0.363 nan 8.290 nan 0.000 0.628 332 H N -0.023 119.046 119.070 -0.002 0.000 2.595 332 H HA 0.539 5.095 4.556 -0.000 0.000 0.313 332 H C -1.232 174.059 175.328 -0.062 0.000 1.023 332 H CA -0.298 55.770 56.048 0.034 0.000 1.218 332 H CB 1.155 30.921 29.762 0.007 0.000 1.403 332 H HN 0.424 nan 8.280 nan 0.000 0.477 333 Y N 1.852 122.183 120.300 0.052 0.000 2.464 333 Y HA 0.401 4.951 4.550 -0.000 0.000 0.326 333 Y C 0.302 176.239 175.900 0.062 0.000 0.969 333 Y CA -0.465 57.661 58.100 0.043 0.000 1.270 333 Y CB 1.096 39.578 38.460 0.037 0.000 1.103 333 Y HN 0.676 nan 8.280 nan 0.000 0.491 334 E N 1.096 121.370 120.200 0.123 0.000 2.439 334 E HA 0.292 4.642 4.350 -0.000 0.000 0.279 334 E C -1.196 175.441 176.600 0.060 0.000 1.077 334 E CA -0.974 55.487 56.400 0.102 0.000 0.849 334 E CB 1.234 30.994 29.700 0.100 0.000 1.408 334 E HN 0.465 nan 8.360 nan 0.000 0.457 335 N N 0.243 118.974 118.700 0.052 0.000 2.441 335 N HA 0.303 5.043 4.740 -0.000 0.000 0.251 335 N C -0.728 174.791 175.510 0.016 0.000 1.242 335 N CA 0.592 53.662 53.050 0.033 0.000 0.898 335 N CB 1.182 39.688 38.487 0.030 0.000 1.100 335 N HN 0.465 nan 8.380 nan 0.000 0.443 336 A N 1.194 124.016 122.820 0.004 0.000 2.430 336 A HA 0.400 4.719 4.320 -0.000 0.000 0.300 336 A C 0.706 178.282 177.584 -0.012 0.000 1.124 336 A CA -0.758 51.273 52.037 -0.010 0.000 0.766 336 A CB 0.983 19.970 19.000 -0.021 0.000 1.328 336 A HN 0.644 nan 8.150 nan 0.000 0.424 337 N N 0.795 119.484 118.700 -0.019 0.000 2.457 337 N HA -0.046 4.693 4.740 -0.000 0.000 0.180 337 N C -0.176 175.320 175.510 -0.024 0.000 1.050 337 N CA 0.311 53.349 53.050 -0.020 0.000 0.906 337 N CB -0.073 38.400 38.487 -0.023 0.000 0.968 337 N HN 0.589 nan 8.380 nan 0.000 0.445 338 N N 1.438 120.121 118.700 -0.028 0.000 2.441 338 N HA 0.008 4.748 4.740 -0.000 0.000 0.251 338 N C 1.589 177.078 175.510 -0.036 0.000 1.242 338 N CA -0.025 53.004 53.050 -0.035 0.000 0.898 338 N CB 1.182 39.644 38.487 -0.041 0.000 1.100 338 N HN 0.048 nan 8.380 nan 0.000 0.443 339 L N 0.293 121.488 121.223 -0.046 0.000 2.083 339 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 339 L C 1.087 177.924 176.870 -0.055 0.000 1.083 339 L CA 0.962 55.772 54.840 -0.049 0.000 0.752 339 L CB -0.124 41.898 42.059 -0.063 0.000 0.899 339 L HN 0.390 nan 8.230 nan 0.000 0.433 340 L N 0.769 121.947 121.223 -0.074 0.000 2.313 340 L HA 0.595 4.934 4.340 -0.000 0.000 0.283 340 L C -0.595 176.247 176.870 -0.046 0.000 1.013 340 L CA -0.230 54.562 54.840 -0.080 0.000 0.816 340 L CB 1.420 43.386 42.059 -0.155 0.000 1.236 340 L HN -0.091 nan 8.230 nan 0.000 0.419 341 A N 6.626 129.439 122.820 -0.012 0.000 2.277 341 A HA 0.668 4.988 4.320 -0.000 0.000 0.318 341 A C -0.607 176.994 177.584 0.027 0.000 1.339 341 A CA -0.402 51.637 52.037 0.003 0.000 0.875 341 A CB 0.684 19.695 19.000 0.019 0.000 1.158 341 A HN 0.709 nan 8.150 nan 0.000 0.514 342 V N -0.223 119.689 119.914 -0.002 0.000 3.181 342 V HA 0.784 4.904 4.120 -0.000 0.000 0.308 342 V C -2.883 173.137 176.094 -0.124 0.000 1.214 342 V CA -2.543 59.755 62.300 -0.003 0.000 1.053 342 V CB 1.623 33.469 31.823 0.038 0.000 1.069 342 V HN 0.622 nan 8.190 nan 0.000 0.441 343 P HA 0.135 nan 4.420 nan 0.000 0.262 343 P C 0.700 177.834 177.300 -0.277 0.000 1.199 343 P CA 0.407 63.215 63.100 -0.487 0.000 0.763 343 P CB 0.785 31.798 31.700 -1.145 0.000 0.790 344 T N 2.363 116.826 114.554 -0.151 0.000 2.737 344 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 344 T C 0.290 175.007 174.700 0.029 0.000 1.038 344 T CA 1.342 63.408 62.100 -0.057 0.000 1.144 344 T CB -0.283 68.562 68.868 -0.038 0.000 0.866 344 T HN 0.469 nan 8.240 nan 0.000 0.434 345 F N 3.108 122.971 119.950 -0.144 0.000 2.730 345 F HA 0.464 4.991 4.527 -0.000 0.000 0.335 345 F C -2.947 172.816 175.800 -0.062 0.000 1.212 345 F CA -2.405 55.527 58.000 -0.112 0.000 1.016 345 F CB 1.795 40.734 39.000 -0.101 0.000 1.290 345 F HN -0.136 nan 8.300 nan 0.000 0.495 346 P HA 0.459 nan 4.420 nan 0.000 0.319 346 P C -0.137 176.661 177.300 -0.838 0.000 1.291 346 P CA -0.494 62.269 63.100 -0.562 0.000 0.817 346 P CB 2.424 33.833 31.700 -0.485 0.000 1.349 347 L N -0.799 120.162 121.223 -0.437 0.000 2.607 347 L HA 0.149 4.488 4.340 -0.000 0.000 0.228 347 L C 0.766 177.490 176.870 -0.244 0.000 1.123 347 L CA 0.395 55.052 54.840 -0.305 0.000 0.890 347 L CB -0.180 41.845 42.059 -0.056 0.000 1.103 347 L HN 0.170 nan 8.230 nan 0.000 0.468 348 S N 1.392 116.902 115.700 -0.316 0.000 3.900 348 S HA 0.170 4.640 4.470 -0.000 0.000 0.248 348 S C 0.799 175.153 174.600 -0.411 0.000 1.310 348 S CA -0.196 57.792 58.200 -0.354 0.000 0.915 348 S CB 0.039 62.956 63.200 -0.472 0.000 1.588 348 S HN 0.150 nan 8.310 nan 0.000 0.472 349 L N 1.986 122.995 121.223 -0.358 0.000 2.667 349 L HA 0.299 4.639 4.340 -0.000 0.000 0.232 349 L C 1.017 177.716 176.870 -0.284 0.000 1.138 349 L CA 0.564 55.233 54.840 -0.285 0.000 0.921 349 L CB -0.096 41.853 42.059 -0.182 0.000 1.180 349 L HN 0.425 nan 8.230 nan 0.000 0.487 350 L N -0.327 120.670 121.223 -0.377 0.000 2.607 350 L HA 0.319 4.659 4.340 -0.000 0.000 0.228 350 L C 1.383 177.969 176.870 -0.474 0.000 1.123 350 L CA -0.026 54.620 54.840 -0.323 0.000 0.890 350 L CB -0.735 41.049 42.059 -0.459 0.000 1.103 350 L HN 0.114 nan 8.230 nan 0.000 0.468 351 A N 1.336 123.857 122.820 -0.498 0.000 2.498 351 A HA 0.414 4.734 4.320 -0.000 0.000 0.239 351 A C -2.137 175.061 177.584 -0.643 0.000 1.068 351 A CA -0.746 51.069 52.037 -0.370 0.000 0.766 351 A CB -0.611 18.162 19.000 -0.377 0.000 1.003 351 A HN -0.006 nan 8.150 nan 0.000 0.497 352 P HA 0.199 nan 4.420 nan 0.000 0.276 352 P C -2.168 175.103 177.300 -0.050 0.000 1.230 352 P CA -1.264 61.655 63.100 -0.302 0.000 0.776 352 P CB 0.698 32.524 31.700 0.211 0.000 0.888 353 P HA -0.005 nan 4.420 nan 0.000 0.239 353 P C 0.747 178.125 177.300 0.130 0.000 1.188 353 P CA 0.631 63.779 63.100 0.079 0.000 0.794 353 P CB 0.160 31.950 31.700 0.150 0.000 0.937 354 T N 0.117 114.776 114.554 0.176 0.000 2.903 354 T HA 0.275 4.624 4.350 -0.000 0.000 0.314 354 T C 0.218 175.029 174.700 0.185 0.000 1.078 354 T CA 0.390 62.600 62.100 0.184 0.000 1.114 354 T CB 0.078 69.071 68.868 0.207 0.000 0.987 354 T HN -0.024 nan 8.240 nan 0.000 0.548 355 S N 1.100 116.903 115.700 0.173 0.000 2.794 355 S HA 0.481 4.951 4.470 -0.000 0.000 0.299 355 S C -0.216 174.491 174.600 0.178 0.000 1.179 355 S CA -0.733 57.578 58.200 0.186 0.000 0.838 355 S CB 0.835 64.103 63.200 0.113 0.000 1.206 355 S HN 0.767 nan 8.310 nan 0.000 0.523 356 F N 0.440 120.451 119.950 0.101 0.000 2.740 356 F HA 0.591 5.118 4.527 -0.000 0.000 0.294 356 F C -0.161 175.465 175.800 -0.290 0.000 1.225 356 F CA -0.450 57.460 58.000 -0.149 0.000 1.426 356 F CB -0.947 37.834 39.000 -0.365 0.000 1.021 356 F HN 0.207 nan 8.300 nan 0.000 0.508 357 F N 0.258 120.115 119.950 -0.155 0.000 3.188 357 F HA 0.580 5.107 4.527 -0.000 0.000 0.198 357 F C 0.523 176.300 175.800 -0.038 0.000 1.589 357 F CA -1.063 56.866 58.000 -0.118 0.000 0.914 357 F CB -0.169 38.717 39.000 -0.190 0.000 1.928 357 F HN -0.456 nan 8.300 nan 0.000 0.334 358 K N -0.265 120.266 120.400 0.218 0.000 2.211 358 K HA 0.564 4.884 4.320 -0.000 0.000 0.237 358 K C 0.124 176.788 176.600 0.107 0.000 1.002 358 K CA -0.437 55.922 56.287 0.120 0.000 0.885 358 K CB 0.731 33.280 32.500 0.081 0.000 1.136 358 K HN 0.547 nan 8.250 nan 0.000 0.448 359 G N -0.468 108.390 108.800 0.097 0.000 2.647 359 G HA2 0.311 4.271 3.960 -0.000 0.000 0.271 359 G HA3 0.311 4.271 3.960 -0.000 0.000 0.271 359 G C -0.906 174.040 174.900 0.077 0.000 1.300 359 G CA -0.497 44.670 45.100 0.112 0.000 0.997 359 G HN 0.270 nan 8.290 nan 0.000 0.533 360 V N 0.002 119.976 119.914 0.099 0.000 2.409 360 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 360 V C 0.810 176.930 176.094 0.044 0.000 1.020 360 V CA 0.131 62.469 62.300 0.064 0.000 0.848 360 V CB 1.513 33.383 31.823 0.079 0.000 0.990 360 V HN 1.028 nan 8.190 nan 0.000 0.430 361 T N -0.151 114.398 114.554 -0.008 0.000 3.040 361 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 361 T C 0.957 175.635 174.700 -0.037 0.000 1.005 361 T CA -0.266 61.800 62.100 -0.057 0.000 0.906 361 T CB 0.379 69.204 68.868 -0.072 0.000 1.082 361 T HN 0.434 nan 8.240 nan 0.000 0.531 362 Q N 1.259 121.052 119.800 -0.012 0.000 2.389 362 Q HA 0.228 4.568 4.340 -0.000 0.000 0.204 362 Q C 0.337 176.338 176.000 0.003 0.000 0.944 362 Q CA 0.711 56.508 55.803 -0.010 0.000 0.908 362 Q CB 0.237 28.967 28.738 -0.013 0.000 1.002 362 Q HN 0.677 nan 8.270 nan 0.000 0.493 363 Q N 0.379 120.194 119.800 0.025 0.000 2.347 363 Q HA 0.237 4.577 4.340 -0.000 0.000 0.265 363 Q C -2.054 173.990 176.000 0.073 0.000 1.024 363 Q CA -1.526 54.305 55.803 0.047 0.000 0.731 363 Q CB 1.915 30.692 28.738 0.065 0.000 1.245 363 Q HN -0.075 nan 8.270 nan 0.000 0.472 364 P HA -0.018 nan 4.420 nan 0.000 0.230 364 P C 0.702 178.089 177.300 0.144 0.000 1.168 364 P CA 0.319 63.459 63.100 0.066 0.000 0.793 364 P CB 0.509 32.214 31.700 0.010 0.000 0.851 365 L N -1.158 120.133 121.223 0.112 0.000 2.072 365 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 365 L C 2.435 179.386 176.870 0.136 0.000 1.079 365 L CA 1.904 56.810 54.840 0.110 0.000 0.752 365 L CB -1.807 40.299 42.059 0.078 0.000 0.906 365 L HN 0.001 nan 8.230 nan 0.000 0.436 366 T N -1.686 112.954 114.554 0.144 0.000 3.023 366 T HA -0.133 4.216 4.350 -0.000 0.000 0.266 366 T C 1.720 176.531 174.700 0.184 0.000 1.093 366 T CA 0.581 62.755 62.100 0.124 0.000 1.129 366 T CB -0.220 68.696 68.868 0.079 0.000 0.899 366 T HN 0.216 nan 8.240 nan 0.000 0.491 367 F N 1.002 121.012 119.950 0.100 0.000 2.163 367 F HA 0.156 4.683 4.527 -0.000 0.000 0.297 367 F C 1.822 177.698 175.800 0.127 0.000 1.094 367 F CA 1.121 59.205 58.000 0.139 0.000 1.290 367 F CB -0.114 38.944 39.000 0.096 0.000 1.017 367 F HN 0.140 nan 8.300 nan 0.000 0.483 368 I N -0.141 120.610 120.570 0.301 0.000 2.252 368 I HA -0.293 3.876 4.170 -0.000 0.000 0.245 368 I C 2.470 178.644 176.117 0.096 0.000 1.102 368 I CA 1.763 63.177 61.300 0.189 0.000 1.385 368 I CB -0.825 37.273 38.000 0.163 0.000 1.064 368 I HN 0.262 nan 8.210 nan 0.000 0.414 369 T N -1.500 113.114 114.554 0.100 0.000 2.821 369 T HA -0.253 4.096 4.350 -0.000 0.000 0.267 369 T C 1.946 176.713 174.700 0.111 0.000 1.046 369 T CA 1.050 63.198 62.100 0.081 0.000 1.139 369 T CB -0.716 68.182 68.868 0.051 0.000 0.871 369 T HN 0.305 nan 8.240 nan 0.000 0.454 370 Y N 2.586 122.847 120.300 -0.065 0.000 2.145 370 Y HA -0.000 4.550 4.550 -0.000 0.000 0.286 370 Y C 2.666 178.529 175.900 -0.062 0.000 1.145 370 Y CA 0.864 58.909 58.100 -0.090 0.000 1.148 370 Y CB -0.847 37.518 38.460 -0.158 0.000 0.981 370 Y HN 0.256 nan 8.280 nan 0.000 0.507 371 S N 0.404 115.953 115.700 -0.252 0.000 2.368 371 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 371 S C 2.318 176.840 174.600 -0.130 0.000 1.029 371 S CA 1.052 59.068 58.200 -0.306 0.000 0.988 371 S CB -0.781 62.278 63.200 -0.235 0.000 0.838 371 S HN 0.601 nan 8.310 nan 0.000 0.462 372 A N 0.771 123.570 122.820 -0.036 0.000 1.902 372 A HA -0.045 4.274 4.320 -0.000 0.000 0.217 372 A C 1.903 179.476 177.584 -0.018 0.000 1.181 372 A CA 1.265 53.294 52.037 -0.013 0.000 0.623 372 A CB -0.826 18.184 19.000 0.015 0.000 0.818 372 A HN 0.477 nan 8.150 nan 0.000 0.443 373 F N 1.174 121.073 119.950 -0.085 0.000 2.146 373 F HA -0.108 4.418 4.527 -0.000 0.000 0.298 373 F C 2.042 177.809 175.800 -0.055 0.000 1.096 373 F CA 1.815 59.763 58.000 -0.087 0.000 1.275 373 F CB -0.088 38.848 39.000 -0.105 0.000 1.008 373 F HN 0.347 nan 8.300 nan 0.000 0.480 374 I N -2.692 117.954 120.570 0.128 0.000 3.059 374 I HA -0.070 4.099 4.170 -0.000 0.000 0.270 374 I C 1.580 177.711 176.117 0.022 0.000 1.238 374 I CA 0.700 62.065 61.300 0.108 0.000 1.478 374 I CB -0.461 37.564 38.000 0.043 0.000 1.097 374 I HN 0.077 nan 8.210 nan 0.000 0.455 375 L N 0.756 121.957 121.223 -0.038 0.000 2.131 375 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 375 L C 2.527 179.373 176.870 -0.040 0.000 1.087 375 L CA 1.204 56.024 54.840 -0.033 0.000 0.767 375 L CB -0.490 41.544 42.059 -0.042 0.000 0.917 375 L HN 0.078 nan 8.230 nan 0.000 0.441 376 V N -1.045 118.797 119.914 -0.120 0.000 2.427 376 V HA -0.255 3.864 4.120 -0.000 0.000 0.248 376 V C 2.261 178.277 176.094 -0.130 0.000 1.051 376 V CA 2.179 64.379 62.300 -0.168 0.000 1.048 376 V CB -0.750 30.871 31.823 -0.337 0.000 0.666 376 V HN 0.473 nan 8.190 nan 0.000 0.456 377 T N -0.064 114.400 114.554 -0.149 0.000 3.043 377 T HA 0.015 4.365 4.350 -0.000 0.000 0.263 377 T C 1.748 176.571 174.700 0.205 0.000 1.094 377 T CA 1.059 63.150 62.100 -0.015 0.000 1.127 377 T CB -0.138 68.777 68.868 0.079 0.000 0.905 377 T HN 0.588 nan 8.240 nan 0.000 0.490 378 G N 1.582 110.477 108.800 0.158 0.000 2.712 378 G HA2 0.089 4.049 3.960 -0.000 0.000 0.212 378 G HA3 0.089 4.049 3.960 -0.000 0.000 0.212 378 G C 1.364 176.354 174.900 0.150 0.000 1.142 378 G CA 0.219 45.426 45.100 0.180 0.000 0.789 378 G HN 0.671 nan 8.290 nan 0.000 0.535 379 I N -5.386 115.258 120.570 0.123 0.000 4.181 379 I HA 0.338 4.508 4.170 -0.000 0.000 0.331 379 I C 2.029 178.217 176.117 0.118 0.000 1.312 379 I CA -0.572 60.787 61.300 0.098 0.000 1.146 379 I CB -0.039 37.995 38.000 0.056 0.000 1.074 379 I HN 0.167 nan 8.210 nan 0.000 0.402 380 W N 2.364 123.612 121.300 -0.087 0.000 2.379 380 W HA -0.071 4.589 4.660 -0.000 0.000 0.307 380 W C 1.161 177.599 176.519 -0.135 0.000 1.200 380 W CA 1.322 58.544 57.345 -0.205 0.000 1.297 380 W CB -0.225 28.969 29.460 -0.443 0.000 1.140 380 W HN 0.123 nan 8.180 nan 0.000 0.507 381 F N 0.413 120.500 119.950 0.228 0.000 2.776 381 F HA 0.139 4.666 4.527 -0.000 0.000 0.300 381 F C 2.412 178.321 175.800 0.183 0.000 1.116 381 F CA 0.564 58.690 58.000 0.209 0.000 1.375 381 F CB -0.414 38.835 39.000 0.416 0.000 1.109 381 F HN -0.135 nan 8.300 nan 0.000 0.585 382 A N 0.759 123.738 122.820 0.265 0.000 1.929 382 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 382 A C 1.602 179.279 177.584 0.154 0.000 1.176 382 A CA 1.956 54.102 52.037 0.182 0.000 0.628 382 A CB -0.718 18.344 19.000 0.105 0.000 0.816 382 A HN 0.486 nan 8.150 nan 0.000 0.444 383 D N -1.885 118.544 120.400 0.047 0.000 2.350 383 D HA 0.007 4.647 4.640 -0.000 0.000 0.213 383 D C 1.406 177.667 176.300 -0.064 0.000 1.031 383 D CA 0.314 54.299 54.000 -0.025 0.000 0.861 383 D CB 0.174 40.918 40.800 -0.093 0.000 0.926 383 D HN 0.063 nan 8.370 nan 0.000 0.520 384 K N -0.084 120.299 120.400 -0.029 0.000 2.243 384 K HA -0.000 4.320 4.320 -0.000 0.000 0.201 384 K C 1.508 178.161 176.600 0.087 0.000 1.051 384 K CA 0.296 56.572 56.287 -0.019 0.000 0.970 384 K CB -0.737 31.787 32.500 0.039 0.000 0.755 384 K HN 0.400 nan 8.250 nan 0.000 0.465 385 W N 2.212 123.518 121.300 0.009 0.000 2.381 385 W HA -0.158 4.501 4.660 -0.000 0.000 0.301 385 W C 1.830 178.307 176.519 -0.070 0.000 1.205 385 W CA 1.337 58.677 57.345 -0.008 0.000 1.285 385 W CB 0.230 29.710 29.460 0.033 0.000 1.133 385 W HN 0.263 nan 8.180 nan 0.000 0.521 386 Q N 0.360 120.192 119.800 0.053 0.000 2.079 386 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 386 Q C 2.370 178.294 176.000 -0.126 0.000 0.974 386 Q CA 2.050 57.828 55.803 -0.042 0.000 0.840 386 Q CB -0.351 28.392 28.738 0.008 0.000 0.898 386 Q HN 0.152 nan 8.270 nan 0.000 0.430 387 A N 0.603 123.350 122.820 -0.122 0.000 1.898 387 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 387 A C 1.100 178.562 177.584 -0.202 0.000 1.181 387 A CA 0.743 52.702 52.037 -0.131 0.000 0.620 387 A CB -0.231 18.703 19.000 -0.111 0.000 0.819 387 A HN 0.397 nan 8.150 nan 0.000 0.442 388 I N 1.517 121.878 120.570 -0.348 0.000 2.282 388 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 388 I C 1.161 176.829 176.117 -0.747 0.000 1.090 388 I CA 0.218 61.129 61.300 -0.649 0.000 1.231 388 I CB 0.041 37.547 38.000 -0.824 0.000 1.434 388 I HN 0.601 nan 8.210 nan 0.000 0.487 389 S N 4.931 120.305 115.700 -0.543 0.000 3.665 389 S HA -0.267 4.203 4.470 -0.000 0.000 0.601 389 S C 1.060 175.394 174.600 -0.444 0.000 2.488 389 S CA 0.388 58.335 58.200 -0.422 0.000 4.101 389 S CB -1.701 61.269 63.200 -0.383 0.000 0.503 389 S HN 1.838 nan 8.310 nan 0.000 0.989 390 G N 0.737 109.296 108.800 -0.402 0.000 2.528 390 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.262 390 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.262 390 G C 0.151 174.963 174.900 -0.148 0.000 1.200 390 G CA 1.077 45.997 45.100 -0.300 0.000 0.951 390 G HN 2.422 nan 8.290 nan 0.000 0.566 391 S N -0.109 115.543 115.700 -0.080 0.000 3.036 391 S HA 0.583 5.053 4.470 -0.000 0.000 0.301 391 S C 0.366 174.936 174.600 -0.049 0.000 1.205 391 S CA 0.774 58.954 58.200 -0.033 0.000 0.999 391 S CB 1.056 64.260 63.200 0.007 0.000 1.337 391 S HN 1.615 nan 8.310 nan 0.000 0.515 392 S N 2.090 117.749 115.700 -0.068 0.000 2.568 392 S HA 0.418 4.887 4.470 -0.000 0.000 0.282 392 S C 1.484 176.064 174.600 -0.033 0.000 1.338 392 S CA -0.061 58.099 58.200 -0.068 0.000 1.045 392 S CB 0.417 63.574 63.200 -0.072 0.000 0.873 392 S HN 0.904 nan 8.310 nan 0.000 0.516 393 A N 4.618 127.421 122.820 -0.029 0.000 1.898 393 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 393 A C 2.119 179.697 177.584 -0.010 0.000 1.181 393 A CA 1.607 53.634 52.037 -0.016 0.000 0.620 393 A CB -0.566 18.427 19.000 -0.012 0.000 0.819 393 A HN 0.800 nan 8.150 nan 0.000 0.442 394 R N 0.330 120.823 120.500 -0.012 0.000 2.062 394 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 394 R C 1.324 177.629 176.300 0.008 0.000 1.128 394 R CA 2.016 58.114 56.100 -0.004 0.000 0.960 394 R CB -0.636 29.658 30.300 -0.010 0.000 0.855 394 R HN 0.458 nan 8.270 nan 0.000 0.432 395 D N -0.617 119.787 120.400 0.006 0.000 2.103 395 D HA -0.079 4.561 4.640 -0.000 0.000 0.199 395 D C 1.900 178.235 176.300 0.059 0.000 0.978 395 D CA 1.372 55.385 54.000 0.022 0.000 0.829 395 D CB -0.191 40.615 40.800 0.011 0.000 0.981 395 D HN 0.082 nan 8.370 nan 0.000 0.464 396 V N 1.312 121.262 119.914 0.060 0.000 2.379 396 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 396 V C 2.480 178.642 176.094 0.114 0.000 1.044 396 V CA 1.609 63.975 62.300 0.111 0.000 1.036 396 V CB -0.761 31.078 31.823 0.027 0.000 0.664 396 V HN 0.163 nan 8.190 nan 0.000 0.453 397 A N -0.068 122.777 122.820 0.042 0.000 1.902 397 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 397 A C 2.158 179.786 177.584 0.072 0.000 1.181 397 A CA 2.025 54.081 52.037 0.032 0.000 0.623 397 A CB -0.548 18.457 19.000 0.009 0.000 0.818 397 A HN 0.439 nan 8.150 nan 0.000 0.443 398 L N -0.015 121.248 121.223 0.066 0.000 2.056 398 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 398 L C 2.266 179.185 176.870 0.081 0.000 1.078 398 L CA 2.580 57.455 54.840 0.058 0.000 0.749 398 L CB -0.566 41.514 42.059 0.035 0.000 0.901 398 L HN 0.616 nan 8.230 nan 0.000 0.433 399 E N -1.139 119.134 120.200 0.122 0.000 2.028 399 E HA -0.243 4.106 4.350 -0.000 0.000 0.191 399 E C 2.118 178.767 176.600 0.081 0.000 0.988 399 E CA 1.495 57.950 56.400 0.093 0.000 0.799 399 E CB -0.282 29.487 29.700 0.114 0.000 0.755 399 E HN 0.467 nan 8.360 nan 0.000 0.447 400 F N 1.379 121.322 119.950 -0.012 0.000 2.234 400 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 400 F C 2.414 178.206 175.800 -0.012 0.000 1.087 400 F CA 1.351 59.343 58.000 -0.013 0.000 1.340 400 F CB -0.291 38.701 39.000 -0.015 0.000 1.031 400 F HN 0.035 nan 8.300 nan 0.000 0.500 401 K N 0.188 120.695 120.400 0.179 0.000 2.057 401 K HA -0.173 4.146 4.320 -0.000 0.000 0.207 401 K C 1.046 177.677 176.600 0.050 0.000 1.049 401 K CA 2.095 58.439 56.287 0.095 0.000 0.931 401 K CB -0.146 32.398 32.500 0.073 0.000 0.714 401 K HN 0.155 nan 8.250 nan 0.000 0.440 402 D N -0.515 119.904 120.400 0.031 0.000 2.417 402 D HA -0.050 4.590 4.640 -0.000 0.000 0.207 402 D C 1.687 177.979 176.300 -0.014 0.000 1.075 402 D CA 0.250 54.254 54.000 0.007 0.000 0.851 402 D CB 0.511 41.313 40.800 0.003 0.000 0.976 402 D HN 0.247 nan 8.370 nan 0.000 0.505 403 Q N 1.228 121.008 119.800 -0.033 0.000 2.123 403 Q HA -0.021 4.318 4.340 -0.000 0.000 0.199 403 Q C 1.989 177.954 176.000 -0.058 0.000 0.966 403 Q CA 1.794 57.551 55.803 -0.076 0.000 0.845 403 Q CB -0.414 28.221 28.738 -0.172 0.000 0.907 403 Q HN 0.213 nan 8.270 nan 0.000 0.439 404 G N 0.290 109.074 108.800 -0.026 0.000 2.394 404 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 404 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 404 G C 1.395 176.292 174.900 -0.005 0.000 1.165 404 G CA 0.773 45.868 45.100 -0.008 0.000 0.784 404 G HN 0.389 nan 8.290 nan 0.000 0.535 405 I N 1.219 121.789 120.570 -0.000 0.000 2.226 405 I HA -0.017 4.153 4.170 -0.000 0.000 0.245 405 I C 1.007 177.119 176.117 -0.007 0.000 1.100 405 I CA 1.237 62.536 61.300 -0.000 0.000 1.374 405 I CB -0.361 37.641 38.000 0.003 0.000 1.057 405 I HN 0.209 nan 8.210 nan 0.000 0.413 406 T N -0.397 114.149 114.554 -0.013 0.000 2.840 406 T HA 0.691 5.041 4.350 -0.000 0.000 0.287 406 T C -0.719 173.967 174.700 -0.024 0.000 0.991 406 T CA -0.586 61.504 62.100 -0.016 0.000 0.964 406 T CB 2.386 71.245 68.868 -0.014 0.000 0.954 406 T HN -0.009 nan 8.240 nan 0.000 0.438 407 L N 3.076 124.284 121.223 -0.024 0.000 2.947 407 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 407 L C 0.749 177.603 176.870 -0.026 0.000 1.071 407 L CA -0.488 54.333 54.840 -0.032 0.000 0.987 407 L CB 1.274 43.310 42.059 -0.038 0.000 1.577 407 L HN 1.000 nan 8.230 nan 0.000 0.373 408 M N 0.559 120.141 119.600 -0.029 0.000 7.319 408 M HA -0.328 4.151 4.480 -0.000 0.000 0.302 408 M C 1.088 177.377 176.300 -0.019 0.000 0.480 408 M CA 3.313 58.599 55.300 -0.024 0.000 1.311 408 M CB -1.677 30.909 32.600 -0.024 0.000 0.421 408 M HN 1.947 nan 8.290 nan 0.000 0.648 409 G N 0.163 108.954 108.800 -0.015 0.000 2.550 409 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.277 409 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.277 409 G C -0.170 174.722 174.900 -0.014 0.000 1.190 409 G CA 2.126 47.218 45.100 -0.014 0.000 0.971 409 G HN 1.426 nan 8.290 nan 0.000 0.559 410 R N -2.840 117.652 120.500 -0.013 0.000 4.402 410 R HA 0.830 5.170 4.340 -0.000 0.000 0.242 410 R C -0.227 176.067 176.300 -0.011 0.000 0.924 410 R CA -0.642 55.451 56.100 -0.012 0.000 0.684 410 R CB 0.461 30.756 30.300 -0.009 0.000 1.928 410 R HN 1.306 nan 8.270 nan 0.000 0.368 411 R N -0.133 120.364 120.500 -0.006 0.000 4.011 411 R HA 0.080 4.420 4.340 -0.000 0.000 0.240 411 R C -1.721 174.581 176.300 0.003 0.000 0.887 411 R CA 0.103 56.203 56.100 -0.001 0.000 0.782 411 R CB -0.165 30.134 30.300 -0.001 0.000 1.409 411 R HN 0.933 nan 8.270 nan 0.000 0.498 412 E N -0.015 120.191 120.200 0.009 0.000 2.435 412 E HA 0.395 4.744 4.350 -0.000 0.000 0.272 412 E C -1.078 175.533 176.600 0.017 0.000 1.031 412 E CA -1.007 55.401 56.400 0.012 0.000 0.872 412 E CB -0.149 29.556 29.700 0.008 0.000 1.588 412 E HN 0.349 nan 8.360 nan 0.000 0.460 413 Q N 0.941 120.751 119.800 0.017 0.000 2.870 413 Q HA -0.191 4.149 4.340 -0.000 0.000 0.374 413 Q C -0.302 175.714 176.000 0.026 0.000 1.462 413 Q CA 1.544 57.359 55.803 0.020 0.000 0.767 413 Q CB -1.092 27.653 28.738 0.012 0.000 1.353 413 Q HN 0.846 nan 8.270 nan 0.000 0.599 414 N N -2.358 116.357 118.700 0.025 0.000 2.831 414 N HA 0.539 5.278 4.740 -0.000 0.000 0.276 414 N C -0.190 175.318 175.510 -0.002 0.000 1.416 414 N CA -0.805 52.255 53.050 0.016 0.000 0.799 414 N CB 1.181 39.691 38.487 0.037 0.000 1.554 414 N HN 0.208 nan 8.380 nan 0.000 0.541 415 V N -0.812 119.089 119.914 -0.022 0.000 3.542 415 V HA 0.184 4.304 4.120 -0.000 0.000 0.296 415 V C 2.047 178.126 176.094 -0.025 0.000 1.364 415 V CA 0.499 62.787 62.300 -0.020 0.000 1.118 415 V CB -0.589 31.221 31.823 -0.022 0.000 0.972 415 V HN 0.821 nan 8.190 nan 0.000 0.430 416 A N 0.741 123.540 122.820 -0.035 0.000 1.902 416 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 416 A C 2.326 179.897 177.584 -0.022 0.000 1.181 416 A CA 1.955 53.964 52.037 -0.047 0.000 0.623 416 A CB -0.344 18.626 19.000 -0.050 0.000 0.818 416 A HN 0.365 nan 8.150 nan 0.000 0.443 417 K N -0.277 120.119 120.400 -0.008 0.000 2.057 417 K HA -0.156 4.163 4.320 -0.000 0.000 0.206 417 K C 1.722 178.321 176.600 -0.002 0.000 1.050 417 K CA 1.827 58.113 56.287 -0.002 0.000 0.935 417 K CB -0.123 32.379 32.500 0.003 0.000 0.715 417 K HN 0.402 nan 8.250 nan 0.000 0.439 418 E N 0.294 120.493 120.200 -0.002 0.000 2.427 418 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 418 E C 1.247 177.849 176.600 0.002 0.000 1.028 418 E CA 0.428 56.829 56.400 0.001 0.000 0.864 418 E CB 0.168 29.870 29.700 0.003 0.000 0.813 418 E HN 0.288 nan 8.360 nan 0.000 0.514 419 L N 0.062 121.285 121.223 -0.001 0.000 2.808 419 L HA 0.271 4.611 4.340 -0.000 0.000 0.246 419 L C 1.546 178.415 176.870 -0.001 0.000 1.153 419 L CA -0.048 54.794 54.840 0.003 0.000 0.956 419 L CB 0.123 42.186 42.059 0.006 0.000 1.270 419 L HN 0.086 nan 8.230 nan 0.000 0.528 420 N N 0.756 119.453 118.700 -0.004 0.000 2.280 420 N HA -0.064 4.676 4.740 -0.000 0.000 0.192 420 N C 1.601 177.110 175.510 -0.000 0.000 1.109 420 N CA 0.123 53.171 53.050 -0.004 0.000 0.855 420 N CB 0.576 39.060 38.487 -0.005 0.000 0.974 420 N HN 0.306 nan 8.380 nan 0.000 0.482 421 K N 0.239 120.639 120.400 0.001 0.000 2.076 421 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 421 K C 1.625 178.227 176.600 0.003 0.000 1.051 421 K CA 0.792 57.080 56.287 0.003 0.000 0.949 421 K CB 0.353 32.855 32.500 0.003 0.000 0.726 421 K HN -0.065 nan 8.250 nan 0.000 0.443 422 V N 1.016 120.933 119.914 0.004 0.000 2.426 422 V HA -0.106 4.014 4.120 -0.000 0.000 0.242 422 V C 2.196 178.292 176.094 0.005 0.000 1.036 422 V CA 1.099 63.402 62.300 0.005 0.000 1.044 422 V CB -0.197 31.631 31.823 0.007 0.000 0.688 422 V HN 0.243 nan 8.190 nan 0.000 0.462 423 I N 1.183 121.757 120.570 0.006 0.000 2.202 423 I HA -0.097 4.072 4.170 -0.000 0.000 0.242 423 I C -0.234 175.888 176.117 0.010 0.000 1.091 423 I CA 1.525 62.830 61.300 0.008 0.000 1.368 423 I CB -1.200 36.806 38.000 0.010 0.000 1.058 423 I HN 0.379 nan 8.210 nan 0.000 0.410 424 P HA -0.003 nan 4.420 nan 0.000 0.245 424 P C 1.464 178.770 177.300 0.010 0.000 1.203 424 P CA 1.084 64.191 63.100 0.011 0.000 0.792 424 P CB 0.188 31.891 31.700 0.006 0.000 0.997 425 I N -1.374 119.200 120.570 0.007 0.000 3.956 425 I HA 0.231 4.401 4.170 -0.000 0.000 0.333 425 I C 1.471 177.591 176.117 0.005 0.000 1.302 425 I CA 0.172 61.475 61.300 0.006 0.000 1.122 425 I CB 0.214 38.217 38.000 0.004 0.000 1.013 425 I HN -0.179 nan 8.210 nan 0.000 0.405 426 A N -0.312 122.511 122.820 0.004 0.000 2.382 426 A HA 0.521 4.841 4.320 -0.000 0.000 0.228 426 A C 2.011 179.596 177.584 0.002 0.000 1.217 426 A CA 0.654 52.691 52.037 0.000 0.000 0.923 426 A CB -0.079 18.919 19.000 -0.004 0.000 0.979 426 A HN 0.372 nan 8.150 nan 0.000 0.515 427 A N -0.303 122.525 122.820 0.012 0.000 1.887 427 A HA 0.203 4.523 4.320 -0.000 0.000 0.212 427 A C 1.971 179.568 177.584 0.022 0.000 1.198 427 A CA 1.490 53.540 52.037 0.022 0.000 0.628 427 A CB -0.625 18.401 19.000 0.044 0.000 0.847 427 A HN 0.294 nan 8.150 nan 0.000 0.449 428 V N -0.658 119.270 119.914 0.024 0.000 2.358 428 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 428 V C 2.640 178.746 176.094 0.019 0.000 1.047 428 V CA 2.358 64.674 62.300 0.027 0.000 1.035 428 V CB -0.871 30.966 31.823 0.022 0.000 0.658 428 V HN 0.599 nan 8.190 nan 0.000 0.452 429 T N -0.269 114.291 114.554 0.009 0.000 3.088 429 T HA 0.051 4.401 4.350 -0.000 0.000 0.259 429 T C 1.608 176.306 174.700 -0.005 0.000 1.122 429 T CA 0.993 63.095 62.100 0.003 0.000 1.095 429 T CB -0.226 68.643 68.868 0.001 0.000 0.930 429 T HN 0.565 nan 8.240 nan 0.000 0.508 430 G N -0.184 108.611 108.800 -0.008 0.000 2.813 430 G HA2 0.335 4.294 3.960 -0.000 0.000 0.209 430 G HA3 0.335 4.294 3.960 -0.000 0.000 0.209 430 G C 1.082 175.964 174.900 -0.030 0.000 1.150 430 G CA 0.513 45.600 45.100 -0.021 0.000 0.785 430 G HN 0.541 nan 8.290 nan 0.000 0.535 431 A N -0.470 122.340 122.820 -0.016 0.000 2.545 431 A HA 0.582 4.902 4.320 -0.000 0.000 0.263 431 A C 1.610 179.200 177.584 0.010 0.000 1.202 431 A CA 0.851 52.880 52.037 -0.014 0.000 0.959 431 A CB 0.227 19.224 19.000 -0.004 0.000 1.124 431 A HN 0.198 nan 8.150 nan 0.000 0.543 432 S N -1.586 114.116 115.700 0.003 0.000 2.505 432 S HA 0.093 4.563 4.470 -0.000 0.000 0.216 432 S C 1.283 175.877 174.600 -0.010 0.000 1.018 432 S CA 1.084 59.285 58.200 0.003 0.000 0.911 432 S CB 0.277 63.480 63.200 0.004 0.000 0.818 432 S HN 0.394 nan 8.310 nan 0.000 0.497 433 V N 1.308 121.213 119.914 -0.015 0.000 3.644 433 V HA 0.328 4.448 4.120 -0.000 0.000 0.267 433 V C 1.556 177.634 176.094 -0.027 0.000 1.277 433 V CA 0.442 62.730 62.300 -0.020 0.000 1.096 433 V CB 0.544 32.355 31.823 -0.019 0.000 0.828 433 V HN 0.479 nan 8.190 nan 0.000 0.446 434 L N 0.857 122.062 121.223 -0.031 0.000 2.209 434 L HA 0.078 4.418 4.340 -0.000 0.000 0.207 434 L C 2.545 179.392 176.870 -0.039 0.000 1.094 434 L CA 2.460 57.276 54.840 -0.039 0.000 0.790 434 L CB -0.331 41.699 42.059 -0.048 0.000 0.932 434 L HN 0.482 nan 8.230 nan 0.000 0.447 435 S N -1.439 114.246 115.700 -0.026 0.000 2.489 435 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 435 S C 1.803 176.365 174.600 -0.064 0.000 0.995 435 S CA 0.732 58.916 58.200 -0.026 0.000 0.934 435 S CB -0.534 62.674 63.200 0.014 0.000 0.771 435 S HN 0.343 nan 8.310 nan 0.000 0.522 436 L N 0.831 122.022 121.223 -0.053 0.000 2.209 436 L HA 0.466 4.806 4.340 -0.000 0.000 0.207 436 L C 1.869 178.714 176.870 -0.043 0.000 1.094 436 L CA 1.098 55.904 54.840 -0.057 0.000 0.790 436 L CB -0.310 41.732 42.059 -0.030 0.000 0.932 436 L HN 0.388 nan 8.230 nan 0.000 0.447 437 I N -1.779 118.771 120.570 -0.034 0.000 3.030 437 I HA -0.146 4.024 4.170 -0.000 0.000 0.270 437 I C 2.101 178.203 176.117 -0.025 0.000 1.211 437 I CA 0.717 62.006 61.300 -0.018 0.000 1.479 437 I CB 0.198 38.188 38.000 -0.016 0.000 1.105 437 I HN 0.287 nan 8.210 nan 0.000 0.447 438 T N -0.657 113.866 114.554 -0.051 0.000 2.812 438 T HA -0.145 4.205 4.350 -0.000 0.000 0.264 438 T C 1.884 176.559 174.700 -0.042 0.000 1.042 438 T CA 1.689 63.747 62.100 -0.069 0.000 1.140 438 T CB -0.091 68.697 68.868 -0.133 0.000 0.870 438 T HN 0.223 nan 8.240 nan 0.000 0.445 439 V N 0.740 120.616 119.914 -0.064 0.000 2.453 439 V HA 0.104 4.223 4.120 -0.000 0.000 0.247 439 V C 2.249 178.354 176.094 0.018 0.000 1.048 439 V CA 1.527 63.787 62.300 -0.067 0.000 1.049 439 V CB -0.398 31.239 31.823 -0.310 0.000 0.672 439 V HN 0.636 nan 8.190 nan 0.000 0.457 440 I N -0.120 120.471 120.570 0.034 0.000 2.928 440 I HA 0.032 4.202 4.170 -0.000 0.000 0.266 440 I C 2.088 178.265 176.117 0.100 0.000 1.234 440 I CA 1.120 62.484 61.300 0.107 0.000 1.483 440 I CB -0.278 37.779 38.000 0.096 0.000 1.097 440 I HN 0.409 nan 8.210 nan 0.000 0.455 441 G N -0.228 108.612 108.800 0.066 0.000 2.426 441 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.214 441 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.214 441 G C 1.423 176.373 174.900 0.084 0.000 1.156 441 G CA 0.145 45.282 45.100 0.061 0.000 0.802 441 G HN 0.370 nan 8.290 nan 0.000 0.534 442 E N 0.816 121.078 120.200 0.104 0.000 2.204 442 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 442 E C 2.748 179.458 176.600 0.183 0.000 0.989 442 E CA 0.835 57.324 56.400 0.148 0.000 0.824 442 E CB 0.037 29.854 29.700 0.195 0.000 0.756 442 E HN 0.341 nan 8.360 nan 0.000 0.477 443 S N 1.043 116.869 115.700 0.210 0.000 2.382 443 S HA -0.120 4.349 4.470 -0.000 0.000 0.228 443 S C 1.987 176.697 174.600 0.183 0.000 1.027 443 S CA 0.769 59.135 58.200 0.276 0.000 0.991 443 S CB -0.152 63.270 63.200 0.370 0.000 0.823 443 S HN 0.218 nan 8.310 nan 0.000 0.469 444 L N 0.504 121.806 121.223 0.132 0.000 2.083 444 L HA 0.113 4.453 4.340 -0.000 0.000 0.209 444 L C 1.446 178.371 176.870 0.092 0.000 1.083 444 L CA 0.813 55.708 54.840 0.091 0.000 0.752 444 L CB -0.850 41.250 42.059 0.068 0.000 0.899 444 L HN 0.512 nan 8.230 nan 0.000 0.433 445 G N -1.318 107.547 108.800 0.107 0.000 2.362 445 G HA2 0.332 4.292 3.960 -0.000 0.000 0.288 445 G HA3 0.332 4.292 3.960 -0.000 0.000 0.288 445 G C -1.639 173.323 174.900 0.104 0.000 1.305 445 G CA -0.361 44.805 45.100 0.110 0.000 0.910 445 G HN 0.037 nan 8.290 nan 0.000 0.518 446 L N -1.605 119.679 121.223 0.102 0.000 0.725 446 L HA 0.410 4.750 4.340 -0.000 0.000 0.358 446 L C -0.928 176.007 176.870 0.108 0.000 1.005 446 L CA 0.588 55.478 54.840 0.083 0.000 1.217 446 L CB -0.019 42.075 42.059 0.058 0.000 0.279 446 L HN 1.550 nan 8.230 nan 0.000 0.181 447 K N 2.822 123.268 120.400 0.077 0.000 2.556 447 K HA 0.836 5.156 4.320 -0.000 0.000 0.274 447 K C 0.103 176.671 176.600 -0.053 0.000 0.966 447 K CA 0.212 56.547 56.287 0.079 0.000 0.865 447 K CB 2.096 34.704 32.500 0.180 0.000 1.444 447 K HN 1.867 nan 8.250 nan 0.000 0.433 448 G N 3.291 112.109 108.800 0.029 0.000 2.291 448 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.271 448 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.271 448 G C -0.210 174.706 174.900 0.027 0.000 1.099 448 G CA 0.890 46.031 45.100 0.067 0.000 0.919 448 G HN 1.018 nan 8.290 nan 0.000 0.496 449 K N -3.616 116.811 120.400 0.044 0.000 2.569 449 K HA 0.046 4.366 4.320 -0.000 0.000 0.171 449 K C 1.097 177.729 176.600 0.052 0.000 1.337 449 K CA 1.386 57.700 56.287 0.044 0.000 0.567 449 K CB -1.928 30.589 32.500 0.028 0.000 2.762 449 K HN 1.633 nan 8.250 nan 0.000 0.615 450 A N 1.134 124.006 122.820 0.087 0.000 1.908 450 A HA 0.294 4.614 4.320 -0.000 0.000 0.218 450 A C 2.078 179.695 177.584 0.054 0.000 1.181 450 A CA 2.343 54.439 52.037 0.097 0.000 0.627 450 A CB -0.306 18.799 19.000 0.176 0.000 0.818 450 A HN 1.240 nan 8.150 nan 0.000 0.445 451 A N -1.695 121.140 122.820 0.025 0.000 2.508 451 A HA 0.511 4.831 4.320 -0.000 0.000 0.257 451 A C 1.773 179.320 177.584 -0.061 0.000 1.226 451 A CA 0.931 52.893 52.037 -0.125 0.000 0.947 451 A CB -0.309 18.357 19.000 -0.557 0.000 1.079 451 A HN 0.594 nan 8.150 nan 0.000 0.531 452 G N 0.056 108.870 108.800 0.024 0.000 2.459 452 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.213 452 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.213 452 G C 1.382 176.292 174.900 0.017 0.000 1.155 452 G CA 0.912 46.035 45.100 0.037 0.000 0.811 452 G HN 0.422 nan 8.290 nan 0.000 0.534 453 I N 1.543 122.121 120.570 0.013 0.000 2.315 453 I HA -0.132 4.037 4.170 -0.000 0.000 0.248 453 I C 2.782 178.900 176.117 0.003 0.000 1.117 453 I CA 1.219 62.524 61.300 0.010 0.000 1.404 453 I CB 0.142 38.148 38.000 0.011 0.000 1.071 453 I HN 0.118 nan 8.210 nan 0.000 0.419 454 V N -1.445 118.463 119.914 -0.009 0.000 2.515 454 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 454 V C 1.985 178.072 176.094 -0.011 0.000 1.058 454 V CA 1.715 64.005 62.300 -0.017 0.000 1.064 454 V CB -0.354 31.448 31.823 -0.035 0.000 0.675 454 V HN 0.292 nan 8.190 nan 0.000 0.461 455 V N 0.539 120.448 119.914 -0.009 0.000 3.542 455 V HA 0.562 4.681 4.120 -0.000 0.000 0.296 455 V C 1.834 177.944 176.094 0.027 0.000 1.364 455 V CA 1.026 63.329 62.300 0.005 0.000 1.118 455 V CB 0.146 31.960 31.823 -0.015 0.000 0.972 455 V HN 0.639 nan 8.190 nan 0.000 0.430 456 G N 0.252 109.066 108.800 0.023 0.000 2.848 456 G HA2 0.098 4.057 3.960 -0.000 0.000 0.213 456 G HA3 0.098 4.057 3.960 -0.000 0.000 0.213 456 G C 0.993 175.913 174.900 0.033 0.000 1.101 456 G CA 0.804 45.920 45.100 0.027 0.000 0.778 456 G HN 0.634 nan 8.290 nan 0.000 0.536 457 I N -2.580 118.009 120.570 0.032 0.000 4.057 457 I HA 0.590 4.759 4.170 -0.000 0.000 0.334 457 I C 1.766 177.922 176.117 0.065 0.000 1.308 457 I CA 0.568 61.892 61.300 0.040 0.000 1.125 457 I CB 1.032 39.041 38.000 0.015 0.000 1.034 457 I HN -0.047 nan 8.210 nan 0.000 0.401 458 A N 0.904 123.762 122.820 0.063 0.000 2.390 458 A HA 0.634 4.954 4.320 -0.000 0.000 0.232 458 A C 1.973 179.624 177.584 0.111 0.000 1.233 458 A CA 0.417 52.512 52.037 0.096 0.000 0.907 458 A CB -0.578 18.452 19.000 0.049 0.000 0.967 458 A HN 0.424 nan 8.150 nan 0.000 0.512 459 G N -1.018 107.835 108.800 0.087 0.000 2.986 459 G HA2 0.315 4.275 3.960 -0.000 0.000 0.213 459 G HA3 0.315 4.275 3.960 -0.000 0.000 0.213 459 G C 1.072 175.996 174.900 0.040 0.000 1.156 459 G CA 0.928 46.077 45.100 0.083 0.000 0.763 459 G HN 0.552 nan 8.290 nan 0.000 0.547 460 G N -0.345 108.493 108.800 0.063 0.000 2.921 460 G HA2 0.157 4.117 3.960 -0.000 0.000 0.213 460 G HA3 0.157 4.117 3.960 -0.000 0.000 0.213 460 G C 0.972 175.929 174.900 0.096 0.000 1.143 460 G CA 0.009 45.141 45.100 0.054 0.000 0.764 460 G HN 0.276 nan 8.290 nan 0.000 0.542 461 F N 0.530 120.449 119.950 -0.051 0.000 2.717 461 F HA 0.312 4.839 4.527 -0.000 0.000 0.295 461 F C 2.390 178.132 175.800 -0.097 0.000 1.117 461 F CA 0.689 58.655 58.000 -0.056 0.000 1.361 461 F CB 0.496 39.476 39.000 -0.034 0.000 1.112 461 F HN 0.122 nan 8.300 nan 0.000 0.594 462 S N 0.263 115.925 115.700 -0.063 0.000 2.368 462 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 462 S C 2.185 176.585 174.600 -0.334 0.000 1.029 462 S CA 1.283 59.326 58.200 -0.263 0.000 0.988 462 S CB -0.426 62.547 63.200 -0.377 0.000 0.838 462 S HN 0.497 nan 8.310 nan 0.000 0.462 463 L N 0.664 121.747 121.223 -0.234 0.000 2.056 463 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 463 L C 2.355 179.084 176.870 -0.235 0.000 1.078 463 L CA 1.118 55.832 54.840 -0.210 0.000 0.749 463 L CB -0.282 41.703 42.059 -0.123 0.000 0.901 463 L HN 0.374 nan 8.230 nan 0.000 0.433 464 L N -0.027 121.047 121.223 -0.249 0.000 2.046 464 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 464 L C 2.301 178.952 176.870 -0.366 0.000 1.077 464 L CA 1.819 56.487 54.840 -0.287 0.000 0.747 464 L CB -0.391 41.464 42.059 -0.339 0.000 0.896 464 L HN 0.245 nan 8.230 nan 0.000 0.432 465 E N -1.258 118.666 120.200 -0.460 0.000 2.077 465 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 465 E C 2.151 178.576 176.600 -0.292 0.000 0.989 465 E CA 1.565 57.729 56.400 -0.393 0.000 0.800 465 E CB -0.169 29.303 29.700 -0.379 0.000 0.746 465 E HN 0.386 nan 8.360 nan 0.000 0.452 466 V N 2.153 121.894 119.914 -0.287 0.000 2.307 466 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 466 V C 2.423 178.338 176.094 -0.297 0.000 1.045 466 V CA 1.913 64.064 62.300 -0.248 0.000 1.024 466 V CB -0.646 31.040 31.823 -0.228 0.000 0.651 466 V HN 0.386 nan 8.190 nan 0.000 0.449 467 I N 0.230 120.575 120.570 -0.375 0.000 2.315 467 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 467 I C 2.548 178.166 176.117 -0.831 0.000 1.117 467 I CA 1.994 62.916 61.300 -0.629 0.000 1.404 467 I CB -1.285 36.372 38.000 -0.573 0.000 1.071 467 I HN 0.452 nan 8.210 nan 0.000 0.419 468 T N 0.315 114.626 114.554 -0.406 0.000 2.777 468 T HA -0.036 4.313 4.350 -0.000 0.000 0.266 468 T C 1.945 176.565 174.700 -0.132 0.000 1.040 468 T CA 1.457 63.455 62.100 -0.170 0.000 1.141 468 T CB -0.837 67.981 68.868 -0.084 0.000 0.868 468 T HN 0.429 nan 8.240 nan 0.000 0.444 469 I N 1.151 121.622 120.570 -0.165 0.000 2.226 469 I HA -0.108 4.061 4.170 -0.000 0.000 0.245 469 I C 3.007 179.068 176.117 -0.093 0.000 1.100 469 I CA 1.270 62.509 61.300 -0.101 0.000 1.374 469 I CB -0.338 37.604 38.000 -0.096 0.000 1.057 469 I HN 0.198 nan 8.210 nan 0.000 0.413 470 E N 0.335 120.428 120.200 -0.179 0.000 2.077 470 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 470 E C 2.178 178.754 176.600 -0.039 0.000 0.989 470 E CA 1.482 57.797 56.400 -0.142 0.000 0.800 470 E CB -0.292 29.272 29.700 -0.227 0.000 0.746 470 E HN 0.507 nan 8.360 nan 0.000 0.452 471 Y N 1.271 121.552 120.300 -0.032 0.000 2.200 471 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 471 Y C 2.423 178.307 175.900 -0.025 0.000 1.137 471 Y CA 1.427 59.508 58.100 -0.032 0.000 1.163 471 Y CB -0.548 37.890 38.460 -0.036 0.000 0.988 471 Y HN 0.230 nan 8.280 nan 0.000 0.518 472 Q N -1.045 118.834 119.800 0.131 0.000 2.247 472 Q HA 0.120 4.459 4.340 -0.000 0.000 0.211 472 Q C 0.819 176.845 176.000 0.043 0.000 0.861 472 Q CA 0.262 56.111 55.803 0.078 0.000 0.949 472 Q CB 0.350 29.126 28.738 0.064 0.000 1.115 472 Q HN 0.469 nan 8.270 nan 0.000 0.507 473 Q N -0.655 119.165 119.800 0.033 0.000 2.237 473 Q HA 0.239 4.579 4.340 -0.000 0.000 0.254 473 Q C 1.288 177.300 176.000 0.021 0.000 0.771 473 Q CA 0.465 56.281 55.803 0.022 0.000 0.958 473 Q CB 1.119 29.866 28.738 0.015 0.000 1.202 473 Q HN 0.204 nan 8.270 nan 0.000 0.492 474 S N -0.133 115.580 115.700 0.022 0.000 2.483 474 S HA 0.369 4.838 4.470 -0.000 0.000 0.221 474 S C 0.601 175.217 174.600 0.027 0.000 1.030 474 S CA 0.669 58.882 58.200 0.021 0.000 0.925 474 S CB 1.052 64.261 63.200 0.015 0.000 0.795 474 S HN 0.469 nan 8.310 nan 0.000 0.511 475 G N -0.799 108.025 108.800 0.040 0.000 2.326 475 G HA2 0.491 4.451 3.960 -0.000 0.000 0.413 475 G HA3 0.491 4.451 3.960 -0.000 0.000 0.413 475 G C -0.323 174.612 174.900 0.058 0.000 1.444 475 G CA -0.392 44.730 45.100 0.037 0.000 1.002 475 G HN 0.963 nan 8.290 nan 0.000 0.649 476 G N -0.515 108.305 108.800 0.032 0.000 2.225 476 G HA2 0.457 4.417 3.960 -0.000 0.000 0.203 476 G HA3 0.457 4.417 3.960 -0.000 0.000 0.203 476 G C -0.863 174.026 174.900 -0.018 0.000 1.335 476 G CA 0.223 45.333 45.100 0.016 0.000 1.183 476 G HN 1.332 nan 8.290 nan 0.000 0.488 477 Q N 0.873 120.632 119.800 -0.068 0.000 2.294 477 Q HA 0.731 5.071 4.340 -0.000 0.000 0.257 477 Q C -0.057 175.919 176.000 -0.038 0.000 0.955 477 Q CA 0.191 55.945 55.803 -0.081 0.000 0.936 477 Q CB 1.528 30.176 28.738 -0.149 0.000 1.188 477 Q HN 0.623 nan 8.270 nan 0.000 0.420 478 S N 0.452 116.146 115.700 -0.010 0.000 2.667 478 S HA 0.811 5.281 4.470 -0.000 0.000 0.292 478 S C -0.329 174.279 174.600 0.013 0.000 1.126 478 S CA -0.518 57.694 58.200 0.020 0.000 0.881 478 S CB 1.831 65.045 63.200 0.023 0.000 1.132 478 S HN 0.566 nan 8.310 nan 0.000 0.492 479 A N 0.953 123.787 122.820 0.023 0.000 2.589 479 A HA 0.275 4.595 4.320 -0.000 0.000 0.283 479 A C 1.186 178.779 177.584 0.016 0.000 1.187 479 A CA -0.270 51.777 52.037 0.017 0.000 0.957 479 A CB -0.257 18.756 19.000 0.022 0.000 1.175 479 A HN 0.665 nan 8.150 nan 0.000 0.532 480 L N -0.281 120.951 121.223 0.016 0.000 2.478 480 L HA -0.051 4.289 4.340 -0.000 0.000 0.223 480 L C 1.572 178.448 176.870 0.010 0.000 1.140 480 L CA 2.014 56.862 54.840 0.014 0.000 0.842 480 L CB -1.817 40.251 42.059 0.014 0.000 0.953 480 L HN 0.535 nan 8.230 nan 0.000 0.452 481 N N 0.898 119.603 118.700 0.007 0.000 2.223 481 N HA -0.269 4.470 4.740 -0.000 0.000 0.185 481 N C 1.512 177.025 175.510 0.005 0.000 1.016 481 N CA 1.435 54.488 53.050 0.005 0.000 0.863 481 N CB -0.389 38.100 38.487 0.002 0.000 0.983 481 N HN 0.623 nan 8.380 nan 0.000 0.429 482 Q N 0.222 120.025 119.800 0.006 0.000 1.993 482 Q HA 0.040 4.379 4.340 -0.000 0.000 0.202 482 Q C 0.109 176.113 176.000 0.007 0.000 0.984 482 Q CA 1.126 56.933 55.803 0.007 0.000 0.837 482 Q CB 0.275 29.018 28.738 0.008 0.000 0.902 482 Q HN 0.177 nan 8.270 nan 0.000 0.423 483 V N 0.528 120.447 119.914 0.008 0.000 2.653 483 V HA 0.423 4.543 4.120 -0.000 0.000 0.298 483 V C -1.163 174.937 176.094 0.009 0.000 1.097 483 V CA -0.505 61.800 62.300 0.008 0.000 0.908 483 V CB 1.835 33.663 31.823 0.009 0.000 1.024 483 V HN 0.139 nan 8.190 nan 0.000 0.435 484 L N 3.007 124.235 121.223 0.008 0.000 2.775 484 L HA 0.966 5.306 4.340 -0.000 0.000 0.263 484 L C 0.141 177.015 176.870 0.007 0.000 1.017 484 L CA 0.305 55.150 54.840 0.009 0.000 0.891 484 L CB 2.419 44.484 42.059 0.010 0.000 1.482 484 L HN 0.777 nan 8.230 nan 0.000 0.410 485 G N -0.634 108.170 108.800 0.007 0.000 3.086 485 G HA2 0.551 4.510 3.960 -0.000 0.000 0.282 485 G HA3 0.551 4.510 3.960 -0.000 0.000 0.282 485 G C -0.674 174.229 174.900 0.006 0.000 1.343 485 G CA -0.089 45.016 45.100 0.007 0.000 0.895 485 G HN 1.121 nan 8.290 nan 0.000 0.557 486 V N 0.292 120.210 119.914 0.006 0.000 2.810 486 V HA 0.284 4.404 4.120 -0.000 0.000 0.290 486 V C -2.024 174.073 176.094 0.004 0.000 1.029 486 V CA -0.751 61.553 62.300 0.005 0.000 1.219 486 V CB -1.048 30.777 31.823 0.003 0.000 0.829 486 V HN 0.601 nan 8.190 nan 0.000 0.457 487 P HA 1.001 nan 4.420 nan 0.000 0.294 487 P C 0.015 177.317 177.300 0.004 0.000 1.323 487 P CA 0.316 63.418 63.100 0.004 0.000 1.015 487 P CB 2.586 34.288 31.700 0.004 0.000 1.392 488 G N -0.860 107.942 108.800 0.003 0.000 2.278 488 G HA2 0.462 4.421 3.960 -0.000 0.000 0.265 488 G HA3 0.462 4.421 3.960 -0.000 0.000 0.265 488 G C -0.119 174.782 174.900 0.002 0.000 1.329 488 G CA 0.597 45.699 45.100 0.003 0.000 1.017 488 G HN 0.909 nan 8.290 nan 0.000 0.472 489 A N -1.927 120.894 122.820 0.002 0.000 3.888 489 A HA -0.030 4.290 4.320 -0.000 0.000 0.300 489 A C 0.945 178.529 177.584 0.001 0.000 2.087 489 A CA 2.749 54.787 52.037 0.001 0.000 0.860 489 A CB -1.737 17.263 19.000 0.001 0.000 1.318 489 A HN 2.150 nan 8.150 nan 0.000 0.528 490 M N 0.000 119.601 119.600 0.001 0.000 2.572 490 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 490 M CA 0.000 55.301 55.300 0.001 0.000 0.988 490 M CB 0.000 32.600 32.600 0.001 0.000 1.302 490 M HN 0.000 nan 8.290 nan 0.000 0.411