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 3n6s_1_A DATA FIRST_RESID 58 DATA SEQUENCE FGVKCHNTDS EPLKNEDLLK NLLTMGVDID MARKRQPGVF HRMITNEQDL DATA SEQUENCE KMFLLSKGAS KEVIASIISR YPRAITRTPE NLSKRWDLWR KIVTSDLEIV DATA SEQUENCE NILERSPESF FRSNNNLNLE NNIKFLYSVG LTRKCLCRLL TNAPRTFSNS DATA SEQUENCE LDLNKQMVEF LQAAGLSLGH NDPADFVRKI IFKNPFILIQ STKRVKANIE DATA SEQUENCE FLRSTFNLNS EELLVLICGP GAEILDLSND YARRSYANIK EKLFSLGCTE DATA SEQUENCE EEVQKFVLSY PDVIFLAEKK FNDKIDCLME ENISISQIIE NPRVLDSSIS DATA SEQUENCE TLKSRIKELV NAGCNLSTLN ITLLSWSKKR YEAKLKKLSR FAHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 58 F HA 0.000 nan 4.527 nan 0.000 0.279 58 F C 0.000 175.803 175.800 0.004 0.000 0.967 58 F CA 0.000 58.002 58.000 0.004 0.000 1.383 58 F CB 0.000 39.001 39.000 0.002 0.000 1.145 59 G N 0.211 108.228 108.800 -1.306 0.000 2.227 59 G HA2 0.094 4.055 3.960 0.001 0.000 0.168 59 G HA3 0.094 4.055 3.960 0.001 0.000 0.168 59 G C -0.093 174.301 174.900 -0.843 0.000 1.006 59 G CA 0.557 45.149 45.100 -0.847 0.000 0.684 59 G HN 1.497 nan 8.290 nan 0.000 0.489 60 V N -3.296 115.911 119.914 -1.178 0.000 3.949 60 V HA 0.726 4.847 4.120 0.001 0.000 0.195 60 V C 0.895 176.887 176.094 -0.170 0.000 1.114 60 V CA 1.001 63.034 62.300 -0.445 0.000 1.384 60 V CB 0.099 31.835 31.823 -0.144 0.000 1.685 60 V HN 0.202 nan 8.190 nan 0.000 0.492 61 K N -1.151 119.424 120.400 0.291 0.000 2.128 61 K HA 0.500 4.821 4.320 0.001 0.000 0.254 61 K C -0.221 176.625 176.600 0.411 0.000 0.872 61 K CA 0.117 56.654 56.287 0.416 0.000 0.733 61 K CB 1.588 34.194 32.500 0.177 0.000 1.521 61 K HN 0.684 nan 8.250 nan 0.000 0.406 62 C N -1.515 117.906 119.300 0.202 0.000 1.664 62 C HA 0.493 4.953 4.460 0.001 0.000 0.147 62 C C 1.650 176.723 174.990 0.138 0.000 2.948 62 C CA -0.068 59.016 59.018 0.110 0.000 1.904 62 C CB -0.188 27.610 27.740 0.096 0.000 2.561 62 C HN 0.865 nan 8.230 nan 0.000 0.278 63 H N -0.805 118.263 119.070 -0.003 0.000 5.016 63 H HA 0.254 4.810 4.556 0.001 0.000 0.159 63 H C 0.818 176.146 175.328 0.001 0.000 1.363 63 H CA 0.286 56.328 56.048 -0.010 0.000 0.657 63 H CB 0.543 30.289 29.762 -0.026 0.000 1.535 63 H HN 0.675 nan 8.280 nan 0.000 0.340 64 N N -0.135 118.393 118.700 -0.286 0.000 2.575 64 N HA -0.082 4.658 4.740 0.001 0.000 0.258 64 N C -0.602 174.839 175.510 -0.114 0.000 1.019 64 N CA 1.700 54.587 53.050 -0.270 0.000 0.909 64 N CB 0.509 38.726 38.487 -0.450 0.000 1.728 64 N HN 0.682 nan 8.380 nan 0.000 0.604 65 T N 0.092 114.607 114.554 -0.065 0.000 3.501 65 T HA -0.159 4.192 4.350 0.001 0.000 0.411 65 T C -0.858 173.828 174.700 -0.023 0.000 0.766 65 T CA 1.058 63.154 62.100 -0.006 0.000 2.129 65 T CB -2.153 66.724 68.868 0.015 0.000 1.711 65 T HN 0.591 nan 8.240 nan 0.000 0.712 66 D N 0.127 120.509 120.400 -0.031 0.000 2.747 66 D HA 0.353 4.993 4.640 0.001 0.000 0.218 66 D C -0.423 175.864 176.300 -0.023 0.000 1.230 66 D CA -0.045 53.939 54.000 -0.027 0.000 0.774 66 D CB 1.438 42.217 40.800 -0.036 0.000 1.667 66 D HN 0.356 nan 8.370 nan 0.000 0.499 67 S N 3.038 118.731 115.700 -0.013 0.000 2.887 67 S HA 0.118 4.589 4.470 0.001 0.000 0.337 67 S C 0.078 174.670 174.600 -0.013 0.000 1.209 67 S CA 0.067 58.262 58.200 -0.008 0.000 1.186 67 S CB -0.257 62.939 63.200 -0.006 0.000 0.925 67 S HN 0.341 nan 8.310 nan 0.000 0.522 68 E N 3.557 123.751 120.200 -0.011 0.000 2.183 68 E HA 0.459 4.809 4.350 0.001 0.000 0.271 68 E C -2.891 173.705 176.600 -0.006 0.000 0.919 68 E CA -2.568 53.823 56.400 -0.014 0.000 0.781 68 E CB 0.358 30.046 29.700 -0.021 0.000 1.140 68 E HN 0.165 nan 8.360 nan 0.000 0.402 69 P HA 0.129 nan 4.420 nan 0.000 0.268 69 P C -0.242 177.057 177.300 -0.002 0.000 1.204 69 P CA -0.115 62.982 63.100 -0.006 0.000 0.768 69 P CB 0.414 32.109 31.700 -0.007 0.000 0.842 70 L N 2.191 123.413 121.223 -0.002 0.000 2.461 70 L HA 0.224 4.565 4.340 0.001 0.000 0.272 70 L C 0.879 177.749 176.870 -0.001 0.000 1.197 70 L CA 0.087 54.926 54.840 -0.001 0.000 0.836 70 L CB 0.048 42.102 42.059 -0.008 0.000 1.105 70 L HN 0.385 nan 8.230 nan 0.000 0.477 71 K N 2.556 122.958 120.400 0.003 0.000 2.572 71 K HA 0.369 4.690 4.320 0.001 0.000 0.244 71 K C -1.143 175.459 176.600 0.004 0.000 0.965 71 K CA -0.390 55.900 56.287 0.004 0.000 0.943 71 K CB 0.884 33.389 32.500 0.009 0.000 1.154 71 K HN 0.583 nan 8.250 nan 0.000 0.447 72 N N 1.186 119.886 118.700 -0.000 0.000 2.432 72 N HA 0.106 4.847 4.740 0.001 0.000 0.292 72 N C -1.357 174.155 175.510 0.004 0.000 1.193 72 N CA -0.883 52.167 53.050 0.000 0.000 0.878 72 N CB 1.380 39.863 38.487 -0.008 0.000 1.252 72 N HN 0.394 nan 8.380 nan 0.000 0.520 73 E N 0.861 121.065 120.200 0.006 0.000 2.161 73 E HA -0.017 4.333 4.350 0.001 0.000 0.263 73 E C -0.402 176.202 176.600 0.008 0.000 1.185 73 E CA 0.263 56.666 56.400 0.004 0.000 0.938 73 E CB -0.083 29.616 29.700 -0.002 0.000 1.023 73 E HN 0.386 nan 8.360 nan 0.000 0.433 74 D N 4.790 125.193 120.400 0.005 0.000 2.084 74 D HA -0.159 4.482 4.640 0.001 0.000 0.199 74 D C 1.749 178.054 176.300 0.009 0.000 0.981 74 D CA 1.403 55.407 54.000 0.007 0.000 0.841 74 D CB -0.276 40.527 40.800 0.004 0.000 0.997 74 D HN 0.523 nan 8.370 nan 0.000 0.454 75 L N 0.466 121.692 121.223 0.004 0.000 2.137 75 L HA -0.179 4.162 4.340 0.001 0.000 0.213 75 L C 2.404 179.277 176.870 0.005 0.000 1.085 75 L CA 0.387 55.230 54.840 0.003 0.000 0.760 75 L CB -0.812 41.247 42.059 -0.001 0.000 0.893 75 L HN 0.038 nan 8.230 nan 0.000 0.434 76 L N 0.785 122.010 121.223 0.004 0.000 1.952 76 L HA -0.297 4.044 4.340 0.001 0.000 0.231 76 L C 2.685 179.575 176.870 0.034 0.000 1.088 76 L CA 2.120 56.962 54.840 0.004 0.000 0.802 76 L CB -0.597 41.465 42.059 0.004 0.000 0.903 76 L HN 0.041 nan 8.230 nan 0.000 0.439 77 K N -0.006 120.432 120.400 0.062 0.000 2.059 77 K HA -0.257 4.064 4.320 0.001 0.000 0.212 77 K C 2.123 178.754 176.600 0.050 0.000 1.050 77 K CA 1.892 58.228 56.287 0.081 0.000 0.927 77 K CB -0.675 31.862 32.500 0.062 0.000 0.714 77 K HN 0.565 nan 8.250 nan 0.000 0.447 78 N N 0.546 119.264 118.700 0.030 0.000 2.006 78 N HA -0.156 4.584 4.740 0.001 0.000 0.196 78 N C 1.724 177.245 175.510 0.018 0.000 1.057 78 N CA 1.968 55.029 53.050 0.020 0.000 0.853 78 N CB -0.458 38.036 38.487 0.012 0.000 1.051 78 N HN 0.178 nan 8.380 nan 0.000 0.423 79 L N 0.833 122.064 121.223 0.013 0.000 2.051 79 L HA -0.230 4.111 4.340 0.001 0.000 0.214 79 L C 2.564 179.441 176.870 0.012 0.000 1.076 79 L CA 0.989 55.834 54.840 0.008 0.000 0.758 79 L CB -0.606 41.454 42.059 0.001 0.000 0.890 79 L HN 0.244 nan 8.230 nan 0.000 0.433 80 L N -0.900 120.335 121.223 0.021 0.000 1.961 80 L HA -0.225 4.116 4.340 0.001 0.000 0.210 80 L C 2.641 179.532 176.870 0.035 0.000 1.072 80 L CA 1.919 56.778 54.840 0.032 0.000 0.749 80 L CB -1.146 40.955 42.059 0.070 0.000 0.889 80 L HN 0.208 nan 8.230 nan 0.000 0.432 81 T N -0.358 114.219 114.554 0.039 0.000 2.760 81 T HA -0.281 4.069 4.350 0.001 0.000 0.269 81 T C 1.337 176.048 174.700 0.019 0.000 1.047 81 T CA 1.243 63.359 62.100 0.028 0.000 1.139 81 T CB -0.294 68.588 68.868 0.023 0.000 0.855 81 T HN 0.167 nan 8.240 nan 0.000 0.471 82 M N 0.935 120.545 119.600 0.016 0.000 3.520 82 M HA 0.218 4.699 4.480 0.001 0.000 0.188 82 M C 1.058 177.365 176.300 0.011 0.000 1.400 82 M CA 0.220 55.526 55.300 0.011 0.000 1.553 82 M CB -0.687 31.918 32.600 0.008 0.000 1.333 82 M HN 0.364 nan 8.290 nan 0.000 0.452 83 G N -1.135 107.673 108.800 0.013 0.000 4.205 83 G HA2 -0.059 3.902 3.960 0.001 0.000 0.200 83 G HA3 -0.059 3.902 3.960 0.001 0.000 0.200 83 G C -0.514 174.396 174.900 0.017 0.000 1.190 83 G CA -0.134 44.974 45.100 0.013 0.000 0.861 83 G HN 0.286 nan 8.290 nan 0.000 0.326 84 V N 1.878 121.805 119.914 0.023 0.000 2.973 84 V HA 0.634 4.755 4.120 0.001 0.000 0.314 84 V C -0.672 175.443 176.094 0.035 0.000 1.066 84 V CA -0.294 62.024 62.300 0.030 0.000 1.021 84 V CB 1.811 33.656 31.823 0.037 0.000 1.076 84 V HN 0.317 nan 8.190 nan 0.000 0.462 85 D N 3.703 124.125 120.400 0.036 0.000 2.483 85 D HA 0.165 4.806 4.640 0.001 0.000 0.220 85 D C 1.239 177.565 176.300 0.043 0.000 1.173 85 D CA 0.164 54.182 54.000 0.030 0.000 0.964 85 D CB 0.132 40.947 40.800 0.024 0.000 1.046 85 D HN 0.504 nan 8.370 nan 0.000 0.517 86 I N 1.731 122.328 120.570 0.044 0.000 2.335 86 I HA -0.272 3.899 4.170 0.001 0.000 0.251 86 I C 1.474 177.552 176.117 -0.066 0.000 1.129 86 I CA 0.793 62.124 61.300 0.052 0.000 1.402 86 I CB 0.072 38.096 38.000 0.040 0.000 1.069 86 I HN 0.304 nan 8.210 nan 0.000 0.424 87 D N 0.616 120.979 120.400 -0.062 0.000 2.078 87 D HA -0.187 4.454 4.640 0.001 0.000 0.193 87 D C 2.236 178.488 176.300 -0.080 0.000 0.990 87 D CA 1.276 55.220 54.000 -0.093 0.000 0.827 87 D CB -0.196 40.570 40.800 -0.056 0.000 0.975 87 D HN 0.147 nan 8.370 nan 0.000 0.451 88 M N 0.869 120.453 119.600 -0.027 0.000 2.080 88 M HA -0.128 4.353 4.480 0.001 0.000 0.260 88 M C 2.296 178.606 176.300 0.017 0.000 1.068 88 M CA 0.986 56.284 55.300 -0.004 0.000 1.109 88 M CB -1.127 31.483 32.600 0.016 0.000 1.342 88 M HN -0.030 nan 8.290 nan 0.000 0.405 89 A N -0.017 122.842 122.820 0.064 0.000 1.869 89 A HA -0.267 4.054 4.320 0.001 0.000 0.218 89 A C 2.271 179.964 177.584 0.182 0.000 1.203 89 A CA 2.475 54.618 52.037 0.177 0.000 0.638 89 A CB -0.966 18.262 19.000 0.379 0.000 0.831 89 A HN 0.547 nan 8.150 nan 0.000 0.450 90 R N -0.384 120.044 120.500 -0.119 0.000 2.200 90 R HA -0.160 4.181 4.340 0.001 0.000 0.234 90 R C 1.824 178.057 176.300 -0.112 0.000 1.127 90 R CA 1.650 57.514 56.100 -0.392 0.000 0.989 90 R CB -0.109 29.665 30.300 -0.876 0.000 0.869 90 R HN 0.452 nan 8.270 nan 0.000 0.459 91 K N 0.220 120.581 120.400 -0.066 0.000 2.062 91 K HA -0.086 4.235 4.320 0.001 0.000 0.205 91 K C 2.120 178.720 176.600 -0.001 0.000 1.051 91 K CA 1.272 57.541 56.287 -0.031 0.000 0.941 91 K CB -0.119 32.367 32.500 -0.024 0.000 0.719 91 K HN 0.325 nan 8.250 nan 0.000 0.440 92 R N 0.827 121.339 120.500 0.020 0.000 2.048 92 R HA 0.013 4.354 4.340 0.001 0.000 0.224 92 R C 0.776 177.081 176.300 0.008 0.000 1.163 92 R CA 0.848 56.958 56.100 0.017 0.000 0.956 92 R CB 0.023 30.335 30.300 0.020 0.000 0.849 92 R HN 0.171 nan 8.270 nan 0.000 0.435 93 Q N 0.368 120.190 119.800 0.035 0.000 2.644 93 Q HA 0.177 4.518 4.340 0.001 0.000 0.245 93 Q C -2.130 173.968 176.000 0.163 0.000 1.064 93 Q CA -1.714 54.100 55.803 0.017 0.000 0.860 93 Q CB 1.812 30.480 28.738 -0.116 0.000 1.145 93 Q HN 0.051 nan 8.270 nan 0.000 0.515 94 P HA -0.187 nan 4.420 nan 0.000 0.214 94 P C 1.343 178.760 177.300 0.194 0.000 1.163 94 P CA 1.348 64.552 63.100 0.173 0.000 0.883 94 P CB 0.193 31.896 31.700 0.005 0.000 0.788 95 G N -0.296 108.480 108.800 -0.039 0.000 2.485 95 G HA2 -0.262 3.699 3.960 0.001 0.000 0.221 95 G HA3 -0.262 3.699 3.960 0.001 0.000 0.221 95 G C 1.607 176.526 174.900 0.031 0.000 1.115 95 G CA 0.745 45.786 45.100 -0.097 0.000 0.751 95 G HN 0.174 nan 8.290 nan 0.000 0.567 96 V N 0.079 120.000 119.914 0.011 0.000 2.392 96 V HA -0.144 3.977 4.120 0.001 0.000 0.249 96 V C 2.425 178.428 176.094 -0.152 0.000 1.059 96 V CA 1.637 63.851 62.300 -0.142 0.000 1.051 96 V CB -0.542 31.076 31.823 -0.342 0.000 0.658 96 V HN 0.389 nan 8.190 nan 0.000 0.455 97 F N -0.851 119.150 119.950 0.085 0.000 2.367 97 F HA 0.007 4.534 4.527 0.001 0.000 0.298 97 F C 2.262 178.118 175.800 0.092 0.000 1.094 97 F CA 0.987 59.035 58.000 0.080 0.000 1.409 97 F CB -0.592 38.449 39.000 0.069 0.000 1.064 97 F HN 0.273 nan 8.300 nan 0.000 0.528 98 H N -0.255 118.897 119.070 0.137 0.000 2.556 98 H HA 0.055 4.612 4.556 0.001 0.000 0.268 98 H C 0.919 176.263 175.328 0.027 0.000 0.996 98 H CA -0.169 55.920 56.048 0.068 0.000 1.157 98 H CB -0.007 29.785 29.762 0.049 0.000 1.355 98 H HN 0.094 nan 8.280 nan 0.000 0.597 99 R N 1.722 122.292 120.500 0.117 0.000 2.457 99 R HA 0.262 4.602 4.340 0.001 0.000 0.284 99 R C -0.295 176.012 176.300 0.012 0.000 1.024 99 R CA -0.380 55.742 56.100 0.037 0.000 1.025 99 R CB 0.701 30.992 30.300 -0.015 0.000 1.063 99 R HN -0.010 nan 8.270 nan 0.000 0.493 100 M N 3.744 123.348 119.600 0.007 0.000 2.644 100 M HA 0.436 4.917 4.480 0.001 0.000 0.316 100 M C -0.332 175.963 176.300 -0.008 0.000 1.200 100 M CA -1.034 54.266 55.300 -0.000 0.000 0.944 100 M CB 1.500 34.105 32.600 0.008 0.000 1.691 100 M HN 0.663 nan 8.290 nan 0.000 0.471 101 I N 0.446 121.010 120.570 -0.010 0.000 7.141 101 I HA -0.197 3.974 4.170 0.001 0.000 0.126 101 I C -0.319 175.785 176.117 -0.023 0.000 1.833 101 I CA 0.251 61.544 61.300 -0.012 0.000 2.047 101 I CB -1.782 36.215 38.000 -0.005 0.000 3.597 101 I HN 0.986 nan 8.210 nan 0.000 0.172 102 T N -0.365 114.168 114.554 -0.034 0.000 2.837 102 T HA 0.456 4.807 4.350 0.001 0.000 0.285 102 T C 0.760 175.437 174.700 -0.039 0.000 0.984 102 T CA -0.927 61.142 62.100 -0.053 0.000 1.049 102 T CB 1.790 70.604 68.868 -0.090 0.000 0.947 102 T HN 0.339 nan 8.240 nan 0.000 0.472 103 N N 1.500 120.179 118.700 -0.035 0.000 2.346 103 N HA 0.070 4.810 4.740 0.001 0.000 0.225 103 N C 1.267 176.764 175.510 -0.022 0.000 1.144 103 N CA -0.098 52.941 53.050 -0.017 0.000 0.837 103 N CB 0.084 38.569 38.487 -0.004 0.000 1.069 103 N HN 0.856 nan 8.380 nan 0.000 0.487 104 E N 0.920 121.094 120.200 -0.042 0.000 2.048 104 E HA -0.358 3.993 4.350 0.001 0.000 0.202 104 E C 1.729 178.317 176.600 -0.020 0.000 1.021 104 E CA 1.267 57.639 56.400 -0.046 0.000 0.825 104 E CB -0.312 29.352 29.700 -0.060 0.000 0.756 104 E HN 0.388 nan 8.360 nan 0.000 0.454 105 Q N 1.109 120.901 119.800 -0.013 0.000 1.978 105 Q HA -0.319 4.022 4.340 0.001 0.000 0.211 105 Q C 1.729 177.736 176.000 0.012 0.000 1.013 105 Q CA 2.529 58.332 55.803 -0.001 0.000 0.869 105 Q CB -0.284 28.453 28.738 -0.000 0.000 0.953 105 Q HN 0.277 nan 8.270 nan 0.000 0.415 106 D N 0.005 120.418 120.400 0.020 0.000 2.133 106 D HA -0.189 4.452 4.640 0.001 0.000 0.195 106 D C 1.839 178.180 176.300 0.069 0.000 0.997 106 D CA 1.216 55.242 54.000 0.043 0.000 0.840 106 D CB -0.322 40.507 40.800 0.047 0.000 0.947 106 D HN 0.259 nan 8.370 nan 0.000 0.452 107 L N 1.270 122.522 121.223 0.049 0.000 2.010 107 L HA -0.300 4.041 4.340 0.001 0.000 0.219 107 L C 1.801 178.720 176.870 0.082 0.000 1.077 107 L CA 1.979 56.850 54.840 0.053 0.000 0.773 107 L CB -0.358 41.705 42.059 0.007 0.000 0.892 107 L HN -0.021 nan 8.230 nan 0.000 0.436 108 K N -1.031 119.396 120.400 0.045 0.000 2.044 108 K HA -0.277 4.043 4.320 0.001 0.000 0.210 108 K C 2.180 178.808 176.600 0.047 0.000 1.049 108 K CA 2.160 58.469 56.287 0.037 0.000 0.927 108 K CB -0.499 32.010 32.500 0.015 0.000 0.713 108 K HN 0.470 nan 8.250 nan 0.000 0.443 109 M N 0.457 120.084 119.600 0.046 0.000 2.108 109 M HA -0.194 4.287 4.480 0.001 0.000 0.261 109 M C 2.054 178.364 176.300 0.016 0.000 1.066 109 M CA 1.518 56.830 55.300 0.019 0.000 1.107 109 M CB -0.175 32.431 32.600 0.010 0.000 1.356 109 M HN 0.116 nan 8.290 nan 0.000 0.406 110 F N 1.126 121.025 119.950 -0.085 0.000 2.025 110 F HA -0.331 4.197 4.527 0.001 0.000 0.297 110 F C 1.847 177.520 175.800 -0.211 0.000 1.132 110 F CA 2.203 60.119 58.000 -0.140 0.000 1.191 110 F CB -0.381 38.556 39.000 -0.106 0.000 0.963 110 F HN 0.086 nan 8.300 nan 0.000 0.481 111 L N -0.273 121.094 121.223 0.240 0.000 2.081 111 L HA -0.259 4.081 4.340 0.001 0.000 0.212 111 L C 2.393 179.236 176.870 -0.046 0.000 1.080 111 L CA 0.984 55.864 54.840 0.067 0.000 0.754 111 L CB -0.921 41.185 42.059 0.079 0.000 0.893 111 L HN 0.298 nan 8.230 nan 0.000 0.433 112 L N 0.158 121.360 121.223 -0.034 0.000 2.046 112 L HA -0.211 4.130 4.340 0.001 0.000 0.208 112 L C 2.876 179.679 176.870 -0.112 0.000 1.077 112 L CA 2.044 56.851 54.840 -0.056 0.000 0.747 112 L CB -0.489 41.547 42.059 -0.038 0.000 0.896 112 L HN 0.410 nan 8.230 nan 0.000 0.432 113 S N -1.751 113.838 115.700 -0.185 0.000 2.442 113 S HA -0.167 4.304 4.470 0.001 0.000 0.236 113 S C 1.826 176.257 174.600 -0.283 0.000 1.007 113 S CA 0.954 59.003 58.200 -0.252 0.000 0.965 113 S CB -0.301 62.676 63.200 -0.371 0.000 0.773 113 S HN 0.302 nan 8.310 nan 0.000 0.504 114 K N 1.189 121.400 120.400 -0.314 0.000 2.387 114 K HA 0.387 4.707 4.320 0.001 0.000 0.198 114 K C 0.767 177.307 176.600 -0.101 0.000 1.022 114 K CA 0.401 56.514 56.287 -0.290 0.000 1.128 114 K CB 0.052 32.212 32.500 -0.566 0.000 0.853 114 K HN 0.511 nan 8.250 nan 0.000 0.523 115 G N 0.562 109.314 108.800 -0.081 0.000 2.473 115 G HA2 -0.092 3.869 3.960 0.001 0.000 0.289 115 G HA3 -0.092 3.869 3.960 0.001 0.000 0.289 115 G C -0.363 174.540 174.900 0.004 0.000 1.084 115 G CA 0.041 45.125 45.100 -0.027 0.000 1.215 115 G HN 0.385 nan 8.290 nan 0.000 0.527 116 A N 0.857 123.676 122.820 -0.001 0.000 2.319 116 A HA 0.916 5.236 4.320 0.001 0.000 0.310 116 A C 0.595 178.189 177.584 0.017 0.000 1.152 116 A CA 0.454 52.505 52.037 0.023 0.000 0.783 116 A CB 1.096 20.117 19.000 0.035 0.000 1.184 116 A HN 2.168 nan 8.150 nan 0.000 0.474 117 S N 2.425 118.139 115.700 0.022 0.000 2.544 117 S HA 0.037 4.507 4.470 0.001 0.000 0.290 117 S C 1.108 175.718 174.600 0.017 0.000 1.276 117 S CA 0.474 58.685 58.200 0.017 0.000 1.075 117 S CB 0.375 63.587 63.200 0.020 0.000 0.849 117 S HN 0.883 nan 8.310 nan 0.000 0.494 118 K N 3.101 123.508 120.400 0.011 0.000 2.173 118 K HA -0.250 4.071 4.320 0.001 0.000 0.207 118 K C 1.547 178.156 176.600 0.014 0.000 1.046 118 K CA 1.949 58.242 56.287 0.011 0.000 0.929 118 K CB -0.322 32.182 32.500 0.007 0.000 0.720 118 K HN 0.771 nan 8.250 nan 0.000 0.453 119 E N 0.957 121.166 120.200 0.015 0.000 2.012 119 E HA -0.198 4.153 4.350 0.001 0.000 0.197 119 E C 2.291 178.904 176.600 0.022 0.000 1.007 119 E CA 2.008 58.419 56.400 0.017 0.000 0.816 119 E CB -0.266 29.444 29.700 0.018 0.000 0.762 119 E HN 0.401 nan 8.360 nan 0.000 0.451 120 V N -0.419 119.511 119.914 0.026 0.000 2.515 120 V HA -0.206 3.915 4.120 0.001 0.000 0.250 120 V C 2.174 178.288 176.094 0.034 0.000 1.058 120 V CA 1.305 63.625 62.300 0.033 0.000 1.064 120 V CB -0.678 31.170 31.823 0.040 0.000 0.675 120 V HN 0.202 nan 8.190 nan 0.000 0.461 121 I N 1.304 121.892 120.570 0.029 0.000 2.163 121 I HA -0.235 3.936 4.170 0.001 0.000 0.243 121 I C 2.952 179.074 176.117 0.010 0.000 1.085 121 I CA 2.026 63.340 61.300 0.024 0.000 1.347 121 I CB -0.687 37.325 38.000 0.020 0.000 1.044 121 I HN 0.430 nan 8.210 nan 0.000 0.408 122 A N -0.399 122.428 122.820 0.011 0.000 2.015 122 A HA -0.201 4.119 4.320 0.001 0.000 0.219 122 A C 2.452 180.045 177.584 0.015 0.000 1.163 122 A CA 1.847 53.890 52.037 0.009 0.000 0.646 122 A CB -0.620 18.388 19.000 0.013 0.000 0.806 122 A HN 0.442 nan 8.150 nan 0.000 0.448 123 S N -0.238 115.475 115.700 0.022 0.000 2.399 123 S HA -0.114 4.357 4.470 0.001 0.000 0.231 123 S C 1.861 176.480 174.600 0.033 0.000 1.022 123 S CA 1.405 59.623 58.200 0.029 0.000 0.983 123 S CB -0.523 62.697 63.200 0.034 0.000 0.803 123 S HN 0.515 nan 8.310 nan 0.000 0.480 124 I N 1.122 121.707 120.570 0.024 0.000 2.233 124 I HA -0.090 4.080 4.170 0.001 0.000 0.243 124 I C 2.098 178.202 176.117 -0.021 0.000 1.093 124 I CA 1.146 62.455 61.300 0.016 0.000 1.380 124 I CB -0.364 37.641 38.000 0.008 0.000 1.067 124 I HN 0.314 nan 8.210 nan 0.000 0.413 125 I N 0.196 120.738 120.570 -0.048 0.000 2.493 125 I HA -0.214 3.957 4.170 0.001 0.000 0.254 125 I C 2.536 178.650 176.117 -0.005 0.000 1.160 125 I CA 0.859 62.120 61.300 -0.064 0.000 1.445 125 I CB -0.474 37.487 38.000 -0.065 0.000 1.086 125 I HN 0.147 nan 8.210 nan 0.000 0.433 126 S N 0.898 116.612 115.700 0.023 0.000 2.348 126 S HA -0.153 4.318 4.470 0.001 0.000 0.221 126 S C 2.117 176.751 174.600 0.057 0.000 1.033 126 S CA 1.387 59.615 58.200 0.047 0.000 1.010 126 S CB -0.259 62.966 63.200 0.041 0.000 0.891 126 S HN 0.426 nan 8.310 nan 0.000 0.442 127 R N -1.142 119.400 120.500 0.070 0.000 2.200 127 R HA 0.126 4.467 4.340 0.001 0.000 0.208 127 R C -0.142 176.253 176.300 0.158 0.000 1.033 127 R CA 0.620 56.781 56.100 0.101 0.000 1.000 127 R CB 0.146 30.511 30.300 0.107 0.000 0.906 127 R HN 0.368 nan 8.270 nan 0.000 0.462 128 Y N 0.323 120.608 120.300 -0.026 0.000 2.544 128 Y HA 0.264 4.815 4.550 0.001 0.000 0.347 128 Y C -2.242 173.584 175.900 -0.125 0.000 1.089 128 Y CA -2.665 55.404 58.100 -0.053 0.000 1.230 128 Y CB 1.526 39.957 38.460 -0.047 0.000 1.101 128 Y HN -0.096 nan 8.280 nan 0.000 0.641 129 P HA -0.236 nan 4.420 nan 0.000 0.217 129 P C 1.450 178.563 177.300 -0.312 0.000 1.151 129 P CA 1.589 64.548 63.100 -0.236 0.000 0.849 129 P CB 0.189 31.773 31.700 -0.194 0.000 0.787 130 R N -0.248 119.973 120.500 -0.464 0.000 2.293 130 R HA -0.086 4.255 4.340 0.001 0.000 0.219 130 R C 1.952 178.216 176.300 -0.060 0.000 1.091 130 R CA 0.984 56.908 56.100 -0.294 0.000 1.004 130 R CB -0.674 29.388 30.300 -0.396 0.000 0.865 130 R HN 0.061 nan 8.270 nan 0.000 0.469 131 A N 1.217 123.977 122.820 -0.101 0.000 1.917 131 A HA -0.209 4.111 4.320 0.001 0.000 0.219 131 A C 2.017 179.527 177.584 -0.124 0.000 1.182 131 A CA 1.616 53.466 52.037 -0.312 0.000 0.633 131 A CB -0.521 17.938 19.000 -0.901 0.000 0.819 131 A HN 0.400 nan 8.150 nan 0.000 0.448 132 I N -0.530 119.952 120.570 -0.147 0.000 2.194 132 I HA -0.294 3.877 4.170 0.001 0.000 0.246 132 I C 2.572 178.654 176.117 -0.058 0.000 1.093 132 I CA 1.876 63.111 61.300 -0.108 0.000 1.355 132 I CB -0.801 37.103 38.000 -0.160 0.000 1.046 132 I HN 0.275 nan 8.210 nan 0.000 0.413 133 T N 1.157 115.681 114.554 -0.051 0.000 2.737 133 T HA -0.150 4.201 4.350 0.001 0.000 0.269 133 T C 0.915 175.623 174.700 0.014 0.000 1.040 133 T CA 1.073 63.160 62.100 -0.021 0.000 1.142 133 T CB -0.240 68.621 68.868 -0.010 0.000 0.861 133 T HN 0.327 nan 8.240 nan 0.000 0.456 134 R N 2.331 122.861 120.500 0.051 0.000 2.410 134 R HA 0.388 4.729 4.340 0.001 0.000 0.288 134 R C 0.531 176.850 176.300 0.032 0.000 1.051 134 R CA -0.296 55.839 56.100 0.059 0.000 1.021 134 R CB 0.482 30.851 30.300 0.115 0.000 1.032 134 R HN 0.281 nan 8.270 nan 0.000 0.481 135 T N -0.595 113.971 114.554 0.020 0.000 2.898 135 T HA 0.140 4.490 4.350 0.001 0.000 0.301 135 T C -1.772 172.932 174.700 0.007 0.000 1.049 135 T CA -1.532 60.579 62.100 0.019 0.000 1.095 135 T CB 1.129 70.012 68.868 0.024 0.000 0.976 135 T HN 0.260 nan 8.240 nan 0.000 0.539 136 P HA 0.021 nan 4.420 nan 0.000 0.219 136 P C 1.346 178.745 177.300 0.164 0.000 1.150 136 P CA 0.727 63.891 63.100 0.106 0.000 0.814 136 P CB 0.104 31.936 31.700 0.219 0.000 0.787 137 E N -0.364 119.905 120.200 0.114 0.000 2.106 137 E HA -0.205 4.145 4.350 0.001 0.000 0.192 137 E C 2.084 178.739 176.600 0.092 0.000 0.984 137 E CA 0.848 57.315 56.400 0.111 0.000 0.806 137 E CB -0.389 29.354 29.700 0.071 0.000 0.750 137 E HN 0.048 nan 8.360 nan 0.000 0.458 138 N N 0.369 119.097 118.700 0.047 0.000 2.171 138 N HA -0.131 4.610 4.740 0.001 0.000 0.184 138 N C 1.895 177.405 175.510 -0.001 0.000 1.021 138 N CA 0.700 53.761 53.050 0.019 0.000 0.854 138 N CB -0.057 38.427 38.487 -0.004 0.000 0.994 138 N HN 0.215 nan 8.380 nan 0.000 0.426 139 L N 1.628 122.815 121.223 -0.060 0.000 2.079 139 L HA -0.146 4.195 4.340 0.001 0.000 0.210 139 L C 2.600 179.513 176.870 0.073 0.000 1.081 139 L CA 1.632 56.379 54.840 -0.156 0.000 0.752 139 L CB -1.474 40.221 42.059 -0.608 0.000 0.896 139 L HN 0.321 nan 8.230 nan 0.000 0.433 140 S N -0.537 115.337 115.700 0.291 0.000 2.359 140 S HA -0.264 4.206 4.470 0.001 0.000 0.224 140 S C 1.997 176.811 174.600 0.356 0.000 1.035 140 S CA 1.271 59.796 58.200 0.542 0.000 1.018 140 S CB -0.353 63.090 63.200 0.405 0.000 0.876 140 S HN 0.356 nan 8.310 nan 0.000 0.448 141 K N 1.433 121.962 120.400 0.215 0.000 2.001 141 K HA -0.086 4.235 4.320 0.001 0.000 0.208 141 K C 2.629 179.331 176.600 0.171 0.000 1.048 141 K CA 1.233 57.618 56.287 0.164 0.000 0.932 141 K CB -0.276 32.282 32.500 0.097 0.000 0.715 141 K HN 0.379 nan 8.250 nan 0.000 0.437 142 R N 0.150 120.703 120.500 0.089 0.000 2.096 142 R HA -0.213 4.128 4.340 0.001 0.000 0.240 142 R C 2.278 178.663 176.300 0.140 0.000 1.139 142 R CA 1.978 58.053 56.100 -0.042 0.000 0.952 142 R CB -0.517 29.524 30.300 -0.432 0.000 0.854 142 R HN 0.509 nan 8.270 nan 0.000 0.436 143 W N 1.942 123.375 121.300 0.222 0.000 2.335 143 W HA -0.230 4.431 4.660 0.001 0.000 0.311 143 W C 1.054 177.707 176.519 0.223 0.000 1.213 143 W CA 1.849 59.360 57.345 0.276 0.000 1.274 143 W CB -0.405 29.218 29.460 0.271 0.000 1.148 143 W HN 0.227 nan 8.180 nan 0.000 0.498 144 D N 0.560 121.235 120.400 0.459 0.000 2.144 144 D HA -0.167 4.474 4.640 0.001 0.000 0.199 144 D C 2.344 178.773 176.300 0.215 0.000 0.984 144 D CA 1.393 55.583 54.000 0.317 0.000 0.834 144 D CB -0.646 40.302 40.800 0.247 0.000 0.955 144 D HN 0.258 nan 8.370 nan 0.000 0.465 145 L N -0.470 120.881 121.223 0.212 0.000 2.012 145 L HA -0.186 4.155 4.340 0.001 0.000 0.210 145 L C 2.461 179.441 176.870 0.183 0.000 1.073 145 L CA 1.091 56.039 54.840 0.181 0.000 0.748 145 L CB -0.437 41.728 42.059 0.176 0.000 0.891 145 L HN 0.117 nan 8.230 nan 0.000 0.431 146 W N 0.272 121.503 121.300 -0.115 0.000 2.342 146 W HA -0.154 4.507 4.660 0.001 0.000 0.297 146 W C 2.748 179.148 176.519 -0.198 0.000 1.213 146 W CA 0.650 57.857 57.345 -0.230 0.000 1.251 146 W CB -0.519 28.754 29.460 -0.311 0.000 1.136 146 W HN 0.013 nan 8.180 nan 0.000 0.526 147 R N 0.674 121.230 120.500 0.092 0.000 2.117 147 R HA -0.153 4.188 4.340 0.001 0.000 0.243 147 R C 1.942 178.272 176.300 0.049 0.000 1.143 147 R CA 1.067 57.205 56.100 0.064 0.000 0.968 147 R CB -1.034 29.346 30.300 0.134 0.000 0.863 147 R HN 0.225 nan 8.270 nan 0.000 0.444 148 K N 0.578 121.013 120.400 0.058 0.000 2.032 148 K HA -0.178 4.143 4.320 0.001 0.000 0.218 148 K C 2.176 178.805 176.600 0.049 0.000 1.054 148 K CA 1.935 58.259 56.287 0.061 0.000 0.941 148 K CB -0.390 32.164 32.500 0.090 0.000 0.720 148 K HN 0.264 nan 8.250 nan 0.000 0.449 149 I N -0.343 120.220 120.570 -0.012 0.000 2.703 149 I HA -0.111 4.059 4.170 0.001 0.000 0.259 149 I C 2.366 178.441 176.117 -0.069 0.000 1.151 149 I CA 0.249 61.520 61.300 -0.048 0.000 1.470 149 I CB -0.103 37.779 38.000 -0.197 0.000 1.112 149 I HN -0.118 nan 8.210 nan 0.000 0.437 150 V N 0.892 120.759 119.914 -0.079 0.000 2.649 150 V HA -0.190 3.931 4.120 0.001 0.000 0.248 150 V C 2.035 178.118 176.094 -0.019 0.000 1.054 150 V CA 2.364 64.624 62.300 -0.068 0.000 1.073 150 V CB -0.303 31.478 31.823 -0.070 0.000 0.699 150 V HN 0.859 nan 8.190 nan 0.000 0.463 151 T N -2.916 111.642 114.554 0.006 0.000 9.266 151 T HA -0.254 4.097 4.350 0.001 0.000 0.342 151 T C 0.471 175.195 174.700 0.041 0.000 1.919 151 T CA 1.501 63.616 62.100 0.025 0.000 2.973 151 T CB -1.996 66.882 68.868 0.017 0.000 2.373 151 T HN 1.513 nan 8.240 nan 0.000 1.071 152 S N -0.455 115.270 115.700 0.041 0.000 2.575 152 S HA 0.585 5.056 4.470 0.001 0.000 0.278 152 S C 0.199 174.859 174.600 0.100 0.000 1.139 152 S CA 0.255 58.494 58.200 0.065 0.000 0.954 152 S CB 2.042 65.269 63.200 0.046 0.000 1.054 152 S HN 0.186 nan 8.310 nan 0.000 0.483 153 D N 2.499 123.007 120.400 0.180 0.000 2.221 153 D HA -0.081 4.560 4.640 0.001 0.000 0.204 153 D C 1.886 178.346 176.300 0.267 0.000 0.982 153 D CA 1.892 56.095 54.000 0.338 0.000 0.857 153 D CB -0.111 40.879 40.800 0.317 0.000 0.934 153 D HN 0.620 nan 8.370 nan 0.000 0.475 154 L N -0.489 120.821 121.223 0.146 0.000 2.131 154 L HA 0.078 4.419 4.340 0.001 0.000 0.206 154 L C 1.706 178.621 176.870 0.076 0.000 1.087 154 L CA 1.331 56.236 54.840 0.108 0.000 0.767 154 L CB -0.732 41.371 42.059 0.072 0.000 0.917 154 L HN -0.132 nan 8.230 nan 0.000 0.441 155 E N 1.004 121.232 120.200 0.048 0.000 2.077 155 E HA -0.164 4.187 4.350 0.001 0.000 0.193 155 E C 2.328 178.934 176.600 0.010 0.000 0.989 155 E CA 1.699 58.113 56.400 0.024 0.000 0.800 155 E CB -0.407 29.297 29.700 0.007 0.000 0.746 155 E HN 0.573 nan 8.360 nan 0.000 0.452 156 I N 1.135 121.679 120.570 -0.044 0.000 2.194 156 I HA -0.300 3.871 4.170 0.001 0.000 0.246 156 I C 2.372 178.413 176.117 -0.127 0.000 1.093 156 I CA 0.988 62.182 61.300 -0.176 0.000 1.355 156 I CB -0.488 37.072 38.000 -0.733 0.000 1.046 156 I HN 0.021 nan 8.210 nan 0.000 0.413 157 V N 1.077 121.004 119.914 0.021 0.000 2.261 157 V HA -0.315 3.806 4.120 0.001 0.000 0.246 157 V C 2.019 178.146 176.094 0.055 0.000 1.047 157 V CA 2.505 64.859 62.300 0.089 0.000 1.015 157 V CB -1.030 30.878 31.823 0.141 0.000 0.642 157 V HN 0.457 nan 8.190 nan 0.000 0.446 158 N N -0.136 118.595 118.700 0.052 0.000 2.137 158 N HA -0.168 4.573 4.740 0.001 0.000 0.190 158 N C 1.678 177.221 175.510 0.055 0.000 1.017 158 N CA 1.549 54.628 53.050 0.049 0.000 0.859 158 N CB -0.233 38.279 38.487 0.042 0.000 1.002 158 N HN 0.485 nan 8.380 nan 0.000 0.428 159 I N -0.090 120.517 120.570 0.062 0.000 2.406 159 I HA -0.160 4.011 4.170 0.001 0.000 0.249 159 I C 1.708 177.889 176.117 0.106 0.000 1.122 159 I CA 0.430 61.790 61.300 0.100 0.000 1.431 159 I CB -0.087 38.016 38.000 0.171 0.000 1.087 159 I HN 0.175 nan 8.210 nan 0.000 0.424 160 L N 1.294 122.549 121.223 0.053 0.000 2.027 160 L HA -0.187 4.154 4.340 0.001 0.000 0.206 160 L C 2.598 179.522 176.870 0.089 0.000 1.074 160 L CA 2.070 56.940 54.840 0.051 0.000 0.745 160 L CB -1.185 40.866 42.059 -0.014 0.000 0.898 160 L HN 0.483 nan 8.230 nan 0.000 0.433 161 E N -0.773 119.472 120.200 0.074 0.000 2.478 161 E HA -0.207 4.143 4.350 0.001 0.000 0.198 161 E C 2.132 178.773 176.600 0.069 0.000 1.046 161 E CA 0.537 56.979 56.400 0.071 0.000 0.870 161 E CB -0.044 29.692 29.700 0.060 0.000 0.818 161 E HN 0.386 nan 8.360 nan 0.000 0.527 162 R N 0.461 121.005 120.500 0.074 0.000 2.062 162 R HA 0.105 4.446 4.340 0.001 0.000 0.218 162 R C 0.312 176.662 176.300 0.082 0.000 1.161 162 R CA 1.033 57.176 56.100 0.072 0.000 0.994 162 R CB 0.343 30.686 30.300 0.072 0.000 0.888 162 R HN 0.047 nan 8.270 nan 0.000 0.442 163 S N 0.389 116.149 115.700 0.101 0.000 2.524 163 S HA 0.342 4.813 4.470 0.001 0.000 0.227 163 S C -2.322 172.354 174.600 0.127 0.000 1.304 163 S CA -1.696 56.569 58.200 0.109 0.000 1.185 163 S CB 1.683 64.950 63.200 0.111 0.000 1.104 163 S HN 0.045 nan 8.310 nan 0.000 0.475 164 P HA -0.098 nan 4.420 nan 0.000 0.216 164 P C 1.382 178.735 177.300 0.089 0.000 1.153 164 P CA 0.875 64.079 63.100 0.173 0.000 0.848 164 P CB 0.201 31.992 31.700 0.152 0.000 0.787 165 E N 0.008 120.168 120.200 -0.067 0.000 2.095 165 E HA -0.246 4.105 4.350 0.001 0.000 0.212 165 E C 2.025 178.545 176.600 -0.134 0.000 1.044 165 E CA 2.144 58.373 56.400 -0.284 0.000 0.857 165 E CB -0.772 28.904 29.700 -0.039 0.000 0.764 165 E HN 0.216 nan 8.360 nan 0.000 0.462 166 S N 0.818 116.549 115.700 0.052 0.000 2.427 166 S HA -0.275 4.195 4.470 0.001 0.000 0.261 166 S C 1.690 176.372 174.600 0.137 0.000 1.091 166 S CA 2.020 60.320 58.200 0.166 0.000 1.251 166 S CB -0.907 62.489 63.200 0.326 0.000 1.160 166 S HN 0.297 nan 8.310 nan 0.000 0.436 167 F N 0.850 120.716 119.950 -0.140 0.000 2.171 167 F HA 0.035 4.563 4.527 0.001 0.000 0.300 167 F C 1.701 177.165 175.800 -0.560 0.000 1.090 167 F CA 1.179 58.861 58.000 -0.531 0.000 1.293 167 F CB -0.170 38.170 39.000 -1.100 0.000 1.013 167 F HN 0.139 nan 8.300 nan 0.000 0.486 168 F N -0.125 119.751 119.950 -0.124 0.000 2.746 168 F HA 0.133 4.661 4.527 0.001 0.000 0.297 168 F C 1.994 177.723 175.800 -0.118 0.000 1.113 168 F CA -0.005 57.910 58.000 -0.142 0.000 1.367 168 F CB -0.349 38.567 39.000 -0.139 0.000 1.111 168 F HN -0.173 nan 8.300 nan 0.000 0.590 169 R N -0.281 120.188 120.500 -0.053 0.000 2.357 169 R HA 0.095 4.435 4.340 0.001 0.000 0.202 169 R C 0.293 176.651 176.300 0.097 0.000 1.047 169 R CA 0.554 56.712 56.100 0.096 0.000 1.034 169 R CB -0.195 30.139 30.300 0.057 0.000 0.875 169 R HN 0.105 nan 8.270 nan 0.000 0.473 170 S N 0.196 115.915 115.700 0.033 0.000 2.537 170 S HA 0.182 4.653 4.470 0.001 0.000 0.271 170 S C -0.835 173.738 174.600 -0.044 0.000 1.148 170 S CA -0.898 57.306 58.200 0.007 0.000 0.868 170 S CB 1.274 64.470 63.200 -0.006 0.000 1.115 170 S HN 0.424 nan 8.310 nan 0.000 0.461 171 N N 2.681 121.366 118.700 -0.024 0.000 2.254 171 N HA 0.061 4.802 4.740 0.001 0.000 0.190 171 N C -0.071 175.409 175.510 -0.050 0.000 1.107 171 N CA -0.121 52.900 53.050 -0.049 0.000 0.869 171 N CB -0.339 38.141 38.487 -0.012 0.000 0.983 171 N HN 0.439 nan 8.380 nan 0.000 0.487 172 N N 1.649 120.329 118.700 -0.033 0.000 2.400 172 N HA 0.026 4.766 4.740 0.001 0.000 0.278 172 N C -0.139 175.356 175.510 -0.024 0.000 1.247 172 N CA 0.087 53.125 53.050 -0.020 0.000 0.970 172 N CB 0.044 38.526 38.487 -0.008 0.000 1.312 172 N HN 0.144 nan 8.380 nan 0.000 0.488 173 N N 3.073 121.760 118.700 -0.021 0.000 2.333 173 N HA -0.023 4.718 4.740 0.001 0.000 0.178 173 N C 1.646 177.167 175.510 0.017 0.000 1.018 173 N CA 0.062 53.107 53.050 -0.009 0.000 0.882 173 N CB -0.049 38.435 38.487 -0.005 0.000 0.984 173 N HN 0.500 nan 8.380 nan 0.000 0.434 174 L N 1.162 122.394 121.223 0.015 0.000 1.941 174 L HA -0.312 4.029 4.340 0.001 0.000 0.224 174 L C 2.014 178.899 176.870 0.025 0.000 1.081 174 L CA 1.990 56.842 54.840 0.021 0.000 0.784 174 L CB -0.579 41.487 42.059 0.013 0.000 0.894 174 L HN 0.193 nan 8.230 nan 0.000 0.436 175 N N -0.375 118.334 118.700 0.015 0.000 2.184 175 N HA -0.289 4.452 4.740 0.001 0.000 0.190 175 N C 1.729 177.262 175.510 0.038 0.000 1.011 175 N CA 1.843 54.902 53.050 0.015 0.000 0.867 175 N CB -0.324 38.164 38.487 0.003 0.000 0.993 175 N HN 0.368 nan 8.380 nan 0.000 0.433 176 L N 0.886 122.137 121.223 0.048 0.000 2.093 176 L HA 0.004 4.344 4.340 0.001 0.000 0.208 176 L C 2.101 179.033 176.870 0.104 0.000 1.085 176 L CA 1.749 56.640 54.840 0.084 0.000 0.755 176 L CB -1.059 41.041 42.059 0.069 0.000 0.904 176 L HN 0.307 nan 8.230 nan 0.000 0.435 177 E N -0.755 119.495 120.200 0.083 0.000 2.028 177 E HA -0.232 4.119 4.350 0.001 0.000 0.191 177 E C 1.913 178.577 176.600 0.106 0.000 0.988 177 E CA 1.100 57.556 56.400 0.093 0.000 0.799 177 E CB 0.011 29.755 29.700 0.073 0.000 0.755 177 E HN 0.505 nan 8.360 nan 0.000 0.447 178 N N 1.211 119.960 118.700 0.081 0.000 2.036 178 N HA -0.217 4.523 4.740 0.001 0.000 0.199 178 N C 1.543 177.131 175.510 0.130 0.000 1.036 178 N CA 1.401 54.499 53.050 0.080 0.000 0.870 178 N CB -0.720 37.783 38.487 0.027 0.000 1.055 178 N HN 0.199 nan 8.380 nan 0.000 0.436 179 N N 0.879 119.649 118.700 0.116 0.000 2.036 179 N HA -0.093 4.648 4.740 0.001 0.000 0.195 179 N C 1.958 177.585 175.510 0.194 0.000 1.037 179 N CA 0.794 53.933 53.050 0.148 0.000 0.855 179 N CB -0.425 38.122 38.487 0.100 0.000 1.033 179 N HN 0.331 nan 8.380 nan 0.000 0.423 180 I N 1.582 122.276 120.570 0.207 0.000 2.163 180 I HA -0.293 3.878 4.170 0.001 0.000 0.243 180 I C 2.363 178.622 176.117 0.238 0.000 1.085 180 I CA 1.286 62.710 61.300 0.207 0.000 1.347 180 I CB -0.309 37.810 38.000 0.199 0.000 1.044 180 I HN 0.291 nan 8.210 nan 0.000 0.408 181 K N 0.818 121.366 120.400 0.246 0.000 2.288 181 K HA -0.169 4.152 4.320 0.001 0.000 0.201 181 K C 2.159 178.902 176.600 0.237 0.000 1.048 181 K CA 1.170 57.610 56.287 0.255 0.000 0.956 181 K CB -0.434 32.169 32.500 0.172 0.000 0.746 181 K HN 0.301 nan 8.250 nan 0.000 0.461 182 F N 1.703 121.694 119.950 0.069 0.000 2.234 182 F HA 0.081 4.609 4.527 0.001 0.000 0.296 182 F C 1.651 177.454 175.800 0.005 0.000 1.089 182 F CA 0.671 58.689 58.000 0.028 0.000 1.343 182 F CB 0.160 39.158 39.000 -0.003 0.000 1.040 182 F HN -0.123 nan 8.300 nan 0.000 0.498 183 L N -0.881 120.238 121.223 -0.174 0.000 2.217 183 L HA -0.186 4.155 4.340 0.001 0.000 0.211 183 L C 2.074 178.767 176.870 -0.297 0.000 1.107 183 L CA 0.829 55.458 54.840 -0.351 0.000 0.783 183 L CB -0.819 41.075 42.059 -0.276 0.000 0.919 183 L HN 0.174 nan 8.230 nan 0.000 0.442 184 Y N 0.372 120.601 120.300 -0.119 0.000 2.200 184 Y HA -0.231 4.319 4.550 0.001 0.000 0.290 184 Y C 3.079 178.905 175.900 -0.124 0.000 1.137 184 Y CA 1.472 59.517 58.100 -0.092 0.000 1.163 184 Y CB -0.605 37.831 38.460 -0.040 0.000 0.988 184 Y HN 0.242 nan 8.280 nan 0.000 0.518 185 S N -0.947 114.763 115.700 0.016 0.000 2.500 185 S HA -0.097 4.374 4.470 0.001 0.000 0.239 185 S C 1.695 176.209 174.600 -0.143 0.000 0.989 185 S CA 1.134 59.308 58.200 -0.043 0.000 0.951 185 S CB -0.903 62.293 63.200 -0.007 0.000 0.759 185 S HN 0.164 nan 8.310 nan 0.000 0.523 186 V N 0.756 120.514 119.914 -0.260 0.000 3.406 186 V HA 0.360 4.481 4.120 0.001 0.000 0.263 186 V C 1.796 177.806 176.094 -0.141 0.000 1.172 186 V CA 0.649 62.787 62.300 -0.270 0.000 1.140 186 V CB -0.813 30.762 31.823 -0.414 0.000 0.784 186 V HN 0.791 nan 8.190 nan 0.000 0.467 187 G N 0.220 108.967 108.800 -0.090 0.000 2.141 187 G HA2 -0.147 3.814 3.960 0.001 0.000 0.164 187 G HA3 -0.147 3.814 3.960 0.001 0.000 0.164 187 G C -0.429 174.447 174.900 -0.040 0.000 1.009 187 G CA -0.517 44.557 45.100 -0.043 0.000 0.677 187 G HN 0.284 nan 8.290 nan 0.000 0.508 188 L N 2.282 123.475 121.223 -0.051 0.000 2.312 188 L HA 0.629 4.969 4.340 0.001 0.000 0.281 188 L C 1.401 178.278 176.870 0.011 0.000 1.070 188 L CA 0.094 54.889 54.840 -0.076 0.000 0.805 188 L CB 1.296 43.245 42.059 -0.183 0.000 1.174 188 L HN 0.383 nan 8.230 nan 0.000 0.434 189 T N -0.666 113.887 114.554 -0.001 0.000 2.900 189 T HA 0.131 4.482 4.350 0.001 0.000 0.307 189 T C 1.269 176.013 174.700 0.074 0.000 1.065 189 T CA -0.428 61.704 62.100 0.054 0.000 1.105 189 T CB 0.628 69.494 68.868 -0.003 0.000 0.979 189 T HN 0.673 nan 8.240 nan 0.000 0.544 190 R N 1.182 121.798 120.500 0.194 0.000 2.127 190 R HA -0.164 4.177 4.340 0.001 0.000 0.238 190 R C 2.302 178.620 176.300 0.031 0.000 1.134 190 R CA 1.748 57.953 56.100 0.174 0.000 0.975 190 R CB -0.293 30.116 30.300 0.181 0.000 0.865 190 R HN 0.860 nan 8.270 nan 0.000 0.447 191 K N 0.022 120.432 120.400 0.017 0.000 2.063 191 K HA -0.203 4.118 4.320 0.001 0.000 0.208 191 K C 2.106 178.693 176.600 -0.021 0.000 1.048 191 K CA 1.804 58.087 56.287 -0.007 0.000 0.928 191 K CB -0.405 32.089 32.500 -0.010 0.000 0.713 191 K HN 0.307 nan 8.250 nan 0.000 0.442 192 C N 0.741 120.021 119.300 -0.034 0.000 2.476 192 C HA 0.020 4.481 4.460 0.001 0.000 0.278 192 C C 2.581 177.525 174.990 -0.076 0.000 1.274 192 C CA 0.356 59.352 59.018 -0.037 0.000 1.713 192 C CB -0.926 26.787 27.740 -0.046 0.000 2.039 192 C HN 0.543 nan 8.230 nan 0.000 0.484 193 L N 0.756 121.903 121.223 -0.127 0.000 2.079 193 L HA -0.162 4.178 4.340 0.001 0.000 0.210 193 L C 2.832 179.647 176.870 -0.091 0.000 1.081 193 L CA 2.124 56.888 54.840 -0.127 0.000 0.752 193 L CB -0.904 40.982 42.059 -0.287 0.000 0.896 193 L HN 0.680 nan 8.230 nan 0.000 0.433 194 C N -0.038 119.198 119.300 -0.107 0.000 2.413 194 C HA -0.212 4.248 4.460 0.001 0.000 0.276 194 C C 3.099 178.026 174.990 -0.105 0.000 1.236 194 C CA 1.223 60.170 59.018 -0.119 0.000 1.735 194 C CB -0.778 26.918 27.740 -0.074 0.000 2.031 194 C HN 0.590 nan 8.230 nan 0.000 0.474 195 R N 0.101 120.556 120.500 -0.074 0.000 2.096 195 R HA -0.143 4.198 4.340 0.001 0.000 0.240 195 R C 2.381 178.604 176.300 -0.129 0.000 1.139 195 R CA 2.185 58.236 56.100 -0.081 0.000 0.952 195 R CB -0.498 29.777 30.300 -0.042 0.000 0.854 195 R HN 0.647 nan 8.270 nan 0.000 0.436 196 L N 0.393 121.552 121.223 -0.106 0.000 1.994 196 L HA -0.227 4.114 4.340 0.001 0.000 0.208 196 L C 2.543 179.413 176.870 -0.000 0.000 1.071 196 L CA 0.920 55.703 54.840 -0.094 0.000 0.745 196 L CB -0.510 41.520 42.059 -0.049 0.000 0.892 196 L HN 0.300 nan 8.230 nan 0.000 0.431 197 L N -0.137 121.078 121.223 -0.014 0.000 2.042 197 L HA -0.215 4.126 4.340 0.001 0.000 0.210 197 L C 2.689 179.414 176.870 -0.242 0.000 1.076 197 L CA 2.591 57.256 54.840 -0.291 0.000 0.749 197 L CB -0.829 40.803 42.059 -0.711 0.000 0.893 197 L HN 0.470 nan 8.230 nan 0.000 0.432 198 T N -3.448 111.010 114.554 -0.160 0.000 2.698 198 T HA -0.116 4.235 4.350 0.001 0.000 0.260 198 T C 1.788 176.459 174.700 -0.048 0.000 1.044 198 T CA 1.303 63.352 62.100 -0.086 0.000 1.149 198 T CB -0.780 68.049 68.868 -0.064 0.000 0.864 198 T HN 0.436 nan 8.240 nan 0.000 0.419 199 N N 2.376 121.014 118.700 -0.102 0.000 2.080 199 N HA 0.062 4.803 4.740 0.001 0.000 0.189 199 N C 0.933 176.403 175.510 -0.068 0.000 1.036 199 N CA 1.256 54.234 53.050 -0.120 0.000 0.846 199 N CB -0.097 38.127 38.487 -0.438 0.000 1.015 199 N HN 0.535 nan 8.380 nan 0.000 0.423 200 A N 1.213 123.941 122.820 -0.153 0.000 3.165 200 A HA 0.382 4.702 4.320 0.001 0.000 0.331 200 A C -1.961 175.646 177.584 0.038 0.000 1.034 200 A CA -1.247 50.762 52.037 -0.046 0.000 0.906 200 A CB 0.731 19.630 19.000 -0.168 0.000 1.054 200 A HN -0.002 nan 8.150 nan 0.000 0.484 201 P HA -0.129 nan 4.420 nan 0.000 0.218 201 P C 1.588 179.015 177.300 0.213 0.000 1.149 201 P CA 0.770 63.940 63.100 0.116 0.000 0.817 201 P CB 0.125 31.903 31.700 0.131 0.000 0.785 202 R N -0.701 119.883 120.500 0.140 0.000 2.159 202 R HA -0.085 4.256 4.340 0.001 0.000 0.237 202 R C 1.835 178.169 176.300 0.056 0.000 1.131 202 R CA 1.539 57.703 56.100 0.106 0.000 0.982 202 R CB -1.210 29.133 30.300 0.071 0.000 0.868 202 R HN 0.220 nan 8.270 nan 0.000 0.453 203 T N 0.523 115.064 114.554 -0.022 0.000 2.721 203 T HA -0.174 4.177 4.350 0.001 0.000 0.268 203 T C 1.223 175.723 174.700 -0.333 0.000 1.038 203 T CA 1.561 63.506 62.100 -0.259 0.000 1.145 203 T CB -0.220 68.323 68.868 -0.542 0.000 0.858 203 T HN 0.209 nan 8.240 nan 0.000 0.459 204 F N 0.852 120.746 119.950 -0.093 0.000 2.664 204 F HA 0.210 4.738 4.527 0.002 0.000 0.296 204 F C 2.521 178.301 175.800 -0.034 0.000 1.125 204 F CA 0.006 57.955 58.000 -0.086 0.000 1.444 204 F CB -0.303 38.593 39.000 -0.173 0.000 1.114 204 F HN 0.014 nan 8.300 nan 0.000 0.576 205 S N -0.838 114.953 115.700 0.153 0.000 2.496 205 S HA -0.023 4.447 4.470 0.001 0.000 0.224 205 S C 0.625 175.246 174.600 0.035 0.000 0.996 205 S CA -0.003 58.248 58.200 0.086 0.000 0.927 205 S CB -0.513 62.737 63.200 0.083 0.000 0.774 205 S HN 0.180 nan 8.310 nan 0.000 0.524 206 N N 3.048 121.751 118.700 0.005 0.000 2.395 206 N HA 0.064 4.805 4.740 0.001 0.000 0.246 206 N C 0.162 175.656 175.510 -0.026 0.000 1.246 206 N CA 0.150 53.186 53.050 -0.024 0.000 0.879 206 N CB 0.365 38.816 38.487 -0.060 0.000 1.098 206 N HN 0.362 nan 8.380 nan 0.000 0.444 207 S N 1.075 116.757 115.700 -0.030 0.000 2.568 207 S HA -0.001 4.470 4.470 0.001 0.000 0.282 207 S C 1.370 175.929 174.600 -0.068 0.000 1.338 207 S CA -0.699 57.477 58.200 -0.040 0.000 1.045 207 S CB 0.500 63.677 63.200 -0.038 0.000 0.873 207 S HN 0.541 nan 8.310 nan 0.000 0.516 208 L N 1.614 122.787 121.223 -0.085 0.000 2.079 208 L HA -0.056 4.285 4.340 0.001 0.000 0.210 208 L C 1.976 178.726 176.870 -0.201 0.000 1.081 208 L CA 2.304 57.051 54.840 -0.155 0.000 0.752 208 L CB -1.012 40.948 42.059 -0.165 0.000 0.896 208 L HN 0.945 nan 8.230 nan 0.000 0.433 209 D N -1.097 119.220 120.400 -0.138 0.000 2.117 209 D HA -0.212 4.428 4.640 0.001 0.000 0.197 209 D C 2.105 178.345 176.300 -0.099 0.000 0.987 209 D CA 1.233 55.159 54.000 -0.123 0.000 0.829 209 D CB -0.090 40.661 40.800 -0.081 0.000 0.961 209 D HN 0.299 nan 8.370 nan 0.000 0.460 210 L N 0.803 121.979 121.223 -0.078 0.000 1.955 210 L HA -0.184 4.156 4.340 0.001 0.000 0.213 210 L C 1.823 178.662 176.870 -0.052 0.000 1.072 210 L CA 1.758 56.563 54.840 -0.058 0.000 0.755 210 L CB -0.999 41.030 42.059 -0.049 0.000 0.888 210 L HN 0.031 nan 8.230 nan 0.000 0.432 211 N N -0.085 118.577 118.700 -0.062 0.000 2.094 211 N HA -0.236 4.504 4.740 0.001 0.000 0.191 211 N C 1.826 177.358 175.510 0.037 0.000 1.023 211 N CA 1.361 54.401 53.050 -0.015 0.000 0.857 211 N CB -0.453 38.029 38.487 -0.008 0.000 1.013 211 N HN 0.378 nan 8.380 nan 0.000 0.426 212 K N 1.503 121.829 120.400 -0.123 0.000 2.097 212 K HA -0.104 4.216 4.320 0.001 0.000 0.206 212 K C 1.582 178.193 176.600 0.019 0.000 1.049 212 K CA 1.211 57.414 56.287 -0.140 0.000 0.933 212 K CB -0.098 32.187 32.500 -0.358 0.000 0.717 212 K HN 0.341 nan 8.250 nan 0.000 0.442 213 Q N -0.029 119.770 119.800 -0.001 0.000 2.079 213 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 213 Q C 2.184 178.242 176.000 0.096 0.000 0.974 213 Q CA 1.719 57.544 55.803 0.037 0.000 0.840 213 Q CB -0.157 28.580 28.738 -0.002 0.000 0.898 213 Q HN 0.249 nan 8.270 nan 0.000 0.430 214 M N 0.188 119.835 119.600 0.078 0.000 2.067 214 M HA -0.157 4.323 4.480 0.001 0.000 0.260 214 M C 1.991 178.403 176.300 0.186 0.000 1.069 214 M CA 1.474 56.844 55.300 0.117 0.000 1.117 214 M CB -0.406 32.229 32.600 0.058 0.000 1.334 214 M HN -0.005 nan 8.290 nan 0.000 0.407 215 V N 0.647 120.653 119.914 0.153 0.000 2.233 215 V HA -0.326 3.795 4.120 0.001 0.000 0.247 215 V C 2.258 178.439 176.094 0.146 0.000 1.050 215 V CA 2.424 64.810 62.300 0.144 0.000 1.010 215 V CB -0.898 31.046 31.823 0.201 0.000 0.637 215 V HN 0.546 nan 8.190 nan 0.000 0.444 216 E N -0.908 119.387 120.200 0.158 0.000 2.171 216 E HA -0.289 4.061 4.350 0.001 0.000 0.197 216 E C 1.995 178.680 176.600 0.142 0.000 0.997 216 E CA 1.805 58.283 56.400 0.131 0.000 0.810 216 E CB -0.256 29.513 29.700 0.114 0.000 0.738 216 E HN 0.673 nan 8.360 nan 0.000 0.467 217 F N 1.214 121.192 119.950 0.047 0.000 2.098 217 F HA -0.106 4.421 4.527 0.000 0.000 0.294 217 F C 1.951 177.792 175.800 0.068 0.000 1.107 217 F CA 1.120 59.148 58.000 0.046 0.000 1.234 217 F CB -0.225 38.797 39.000 0.036 0.000 1.002 217 F HN -0.119 nan 8.300 nan 0.000 0.472 218 L N 0.045 121.273 121.223 0.010 0.000 2.131 218 L HA -0.234 4.107 4.340 0.001 0.000 0.210 218 L C 2.469 179.352 176.870 0.021 0.000 1.092 218 L CA 1.350 56.166 54.840 -0.040 0.000 0.759 218 L CB -0.829 41.260 42.059 0.050 0.000 0.903 218 L HN 0.315 nan 8.230 nan 0.000 0.435 219 Q N -0.212 119.598 119.800 0.016 0.000 2.020 219 Q HA -0.147 4.194 4.340 0.001 0.000 0.198 219 Q C 2.522 178.490 176.000 -0.053 0.000 0.974 219 Q CA 1.461 57.277 55.803 0.021 0.000 0.829 219 Q CB -0.274 28.485 28.738 0.034 0.000 0.894 219 Q HN 0.532 nan 8.270 nan 0.000 0.433 220 A N 1.281 124.053 122.820 -0.080 0.000 1.986 220 A HA -0.224 4.097 4.320 0.001 0.000 0.220 220 A C 2.236 179.714 177.584 -0.178 0.000 1.171 220 A CA 1.850 53.825 52.037 -0.103 0.000 0.640 220 A CB -0.762 18.194 19.000 -0.074 0.000 0.811 220 A HN 0.423 nan 8.150 nan 0.000 0.451 221 A N -0.611 122.035 122.820 -0.290 0.000 1.840 221 A HA 0.207 4.528 4.320 0.001 0.000 0.214 221 A C 2.500 179.917 177.584 -0.278 0.000 1.198 221 A CA 1.820 53.673 52.037 -0.306 0.000 0.608 221 A CB -1.548 17.204 19.000 -0.414 0.000 0.839 221 A HN 0.781 nan 8.150 nan 0.000 0.443 222 G N -0.031 108.546 108.800 -0.373 0.000 2.476 222 G HA2 -0.239 3.722 3.960 0.001 0.000 0.218 222 G HA3 -0.239 3.722 3.960 0.001 0.000 0.218 222 G C 1.512 176.187 174.900 -0.374 0.000 1.164 222 G CA 1.388 45.988 45.100 -0.833 0.000 0.768 222 G HN 0.491 nan 8.290 nan 0.000 0.560 223 L N 1.951 123.052 121.223 -0.204 0.000 2.013 223 L HA -0.143 4.198 4.340 0.001 0.000 0.212 223 L C 3.069 179.879 176.870 -0.100 0.000 1.073 223 L CA 2.812 57.591 54.840 -0.101 0.000 0.753 223 L CB -0.774 41.246 42.059 -0.064 0.000 0.890 223 L HN 0.370 nan 8.230 nan 0.000 0.432 224 S N -1.734 113.895 115.700 -0.118 0.000 2.507 224 S HA -0.083 4.388 4.470 0.001 0.000 0.235 224 S C 1.648 176.194 174.600 -0.090 0.000 0.988 224 S CA 0.923 59.069 58.200 -0.089 0.000 0.944 224 S CB -0.649 62.501 63.200 -0.083 0.000 0.762 224 S HN 0.511 nan 8.310 nan 0.000 0.526 225 L N 0.975 122.123 121.223 -0.126 0.000 2.667 225 L HA 0.366 4.707 4.340 0.001 0.000 0.232 225 L C 1.349 178.163 176.870 -0.092 0.000 1.138 225 L CA 0.134 54.907 54.840 -0.112 0.000 0.921 225 L CB -0.354 41.614 42.059 -0.152 0.000 1.180 225 L HN 0.533 nan 8.230 nan 0.000 0.487 226 G N 0.631 109.382 108.800 -0.080 0.000 2.298 226 G HA2 -0.340 3.621 3.960 0.001 0.000 0.287 226 G HA3 -0.340 3.621 3.960 0.001 0.000 0.287 226 G C -0.059 174.801 174.900 -0.067 0.000 1.075 226 G CA 0.109 45.171 45.100 -0.064 0.000 0.960 226 G HN 0.587 nan 8.290 nan 0.000 0.502 227 H N 0.276 119.241 119.070 -0.175 0.000 2.668 227 H HA 0.415 4.971 4.556 0.001 0.000 0.303 227 H C 1.690 176.959 175.328 -0.097 0.000 1.074 227 H CA 0.009 55.953 56.048 -0.173 0.000 1.406 227 H CB 0.665 30.238 29.762 -0.314 0.000 1.442 227 H HN 0.288 nan 8.280 nan 0.000 0.482 228 N N 2.399 120.924 118.700 -0.291 0.000 2.626 228 N HA -0.081 4.660 4.740 0.001 0.000 0.193 228 N C -0.670 174.838 175.510 -0.003 0.000 1.213 228 N CA 0.483 53.455 53.050 -0.130 0.000 0.914 228 N CB 0.324 38.715 38.487 -0.160 0.000 0.994 228 N HN 0.560 nan 8.380 nan 0.000 0.447 229 D N -1.735 118.809 120.400 0.240 0.000 3.171 229 D HA 0.174 4.815 4.640 0.001 0.000 0.240 229 D C -2.340 174.188 176.300 0.380 0.000 1.432 229 D CA -1.156 53.014 54.000 0.282 0.000 0.892 229 D CB 0.729 41.636 40.800 0.178 0.000 1.499 229 D HN -0.150 nan 8.370 nan 0.000 0.597 230 P HA -0.098 nan 4.420 nan 0.000 0.215 230 P C 1.367 178.704 177.300 0.062 0.000 1.157 230 P CA 1.697 64.825 63.100 0.047 0.000 0.868 230 P CB 0.252 31.971 31.700 0.032 0.000 0.788 231 A N -0.639 122.214 122.820 0.055 0.000 2.076 231 A HA -0.249 4.071 4.320 0.001 0.000 0.220 231 A C 2.079 179.670 177.584 0.012 0.000 1.160 231 A CA 2.262 54.312 52.037 0.022 0.000 0.653 231 A CB -1.493 17.513 19.000 0.010 0.000 0.801 231 A HN 0.172 nan 8.150 nan 0.000 0.455 232 D N -2.012 118.422 120.400 0.058 0.000 2.216 232 D HA -0.039 4.602 4.640 0.001 0.000 0.208 232 D C 1.516 177.842 176.300 0.044 0.000 0.960 232 D CA 0.596 54.635 54.000 0.064 0.000 0.861 232 D CB -0.233 40.648 40.800 0.136 0.000 0.985 232 D HN 0.275 nan 8.370 nan 0.000 0.493 233 F N 1.117 120.929 119.950 -0.229 0.000 2.063 233 F HA -0.262 4.266 4.527 0.002 0.000 0.298 233 F C 2.037 177.725 175.800 -0.186 0.000 1.109 233 F CA 1.441 59.200 58.000 -0.403 0.000 1.212 233 F CB -0.777 37.734 39.000 -0.814 0.000 0.973 233 F HN -0.105 nan 8.300 nan 0.000 0.480 234 V N 1.109 120.892 119.914 -0.218 0.000 2.252 234 V HA -0.379 3.741 4.120 0.001 0.000 0.249 234 V C 2.591 178.565 176.094 -0.200 0.000 1.056 234 V CA 2.471 64.624 62.300 -0.245 0.000 1.022 234 V CB -0.869 30.895 31.823 -0.098 0.000 0.641 234 V HN 0.316 nan 8.190 nan 0.000 0.445 235 R N -0.007 120.421 120.500 -0.120 0.000 2.134 235 R HA -0.256 4.084 4.340 0.001 0.000 0.248 235 R C 2.413 178.678 176.300 -0.059 0.000 1.143 235 R CA 2.172 58.221 56.100 -0.085 0.000 0.957 235 R CB -0.421 29.845 30.300 -0.057 0.000 0.867 235 R HN 0.576 nan 8.270 nan 0.000 0.441 236 K N 0.260 120.617 120.400 -0.071 0.000 2.002 236 K HA -0.131 4.190 4.320 0.001 0.000 0.209 236 K C 2.188 178.772 176.600 -0.027 0.000 1.048 236 K CA 1.550 57.834 56.287 -0.005 0.000 0.930 236 K CB -0.305 32.188 32.500 -0.012 0.000 0.714 236 K HN 0.161 nan 8.250 nan 0.000 0.438 237 I N 1.463 121.914 120.570 -0.199 0.000 2.118 237 I HA -0.334 3.836 4.170 0.001 0.000 0.241 237 I C 2.393 178.439 176.117 -0.118 0.000 1.070 237 I CA 1.529 62.707 61.300 -0.203 0.000 1.327 237 I CB -0.471 37.331 38.000 -0.330 0.000 1.034 237 I HN 0.135 nan 8.210 nan 0.000 0.405 238 I N 0.011 120.516 120.570 -0.108 0.000 2.335 238 I HA -0.333 3.837 4.170 0.001 0.000 0.251 238 I C 2.487 178.578 176.117 -0.044 0.000 1.129 238 I CA 1.642 62.887 61.300 -0.092 0.000 1.402 238 I CB -0.369 37.571 38.000 -0.101 0.000 1.069 238 I HN 0.237 nan 8.210 nan 0.000 0.424 239 F N 1.751 121.626 119.950 -0.125 0.000 2.128 239 F HA -0.152 4.375 4.527 0.001 0.000 0.295 239 F C 2.379 178.131 175.800 -0.079 0.000 1.100 239 F CA 1.366 59.306 58.000 -0.101 0.000 1.260 239 F CB 0.005 38.958 39.000 -0.079 0.000 1.009 239 F HN -0.207 nan 8.300 nan 0.000 0.476 240 K N 0.171 120.376 120.400 -0.324 0.000 2.366 240 K HA -0.057 4.263 4.320 0.001 0.000 0.198 240 K C -0.137 176.331 176.600 -0.220 0.000 1.044 240 K CA 0.531 56.598 56.287 -0.367 0.000 0.973 240 K CB -0.517 31.890 32.500 -0.155 0.000 0.767 240 K HN 0.220 nan 8.250 nan 0.000 0.475 241 N N -0.036 118.566 118.700 -0.163 0.000 2.710 241 N HA 0.164 4.905 4.740 0.001 0.000 0.244 241 N C -2.567 172.861 175.510 -0.136 0.000 1.321 241 N CA -1.567 51.442 53.050 -0.069 0.000 0.758 241 N CB 1.388 39.870 38.487 -0.008 0.000 1.284 241 N HN -0.256 nan 8.380 nan 0.000 0.530 242 P HA 0.029 nan 4.420 nan 0.000 0.222 242 P C 0.231 177.225 177.300 -0.509 0.000 1.147 242 P CA 1.004 63.805 63.100 -0.498 0.000 0.790 242 P CB -0.049 31.191 31.700 -0.767 0.000 0.780 243 F N -2.020 117.873 119.950 -0.095 0.000 2.664 243 F HA 0.170 4.697 4.527 0.001 0.000 0.301 243 F C 1.778 177.529 175.800 -0.083 0.000 1.126 243 F CA -0.214 57.734 58.000 -0.087 0.000 1.373 243 F CB -0.883 38.063 39.000 -0.090 0.000 1.042 243 F HN -0.139 nan 8.300 nan 0.000 0.535 244 I N 0.351 120.933 120.570 0.021 0.000 2.500 244 I HA -0.132 4.038 4.170 0.001 0.000 0.252 244 I C 1.751 177.859 176.117 -0.015 0.000 1.142 244 I CA 1.615 62.919 61.300 0.007 0.000 1.451 244 I CB -0.217 37.767 38.000 -0.027 0.000 1.093 244 I HN 0.168 nan 8.210 nan 0.000 0.430 245 L N 0.954 122.142 121.223 -0.058 0.000 2.395 245 L HA 0.039 4.379 4.340 0.001 0.000 0.218 245 L C 1.350 178.186 176.870 -0.057 0.000 1.130 245 L CA 0.528 55.323 54.840 -0.075 0.000 0.826 245 L CB -0.382 41.587 42.059 -0.150 0.000 0.941 245 L HN 0.304 nan 8.230 nan 0.000 0.451 246 I N -2.228 118.325 120.570 -0.028 0.000 3.261 246 I HA 0.269 4.440 4.170 0.001 0.000 0.341 246 I C -0.714 175.404 176.117 0.001 0.000 1.355 246 I CA -0.247 61.048 61.300 -0.008 0.000 1.070 246 I CB 0.038 38.049 38.000 0.018 0.000 1.742 246 I HN 0.066 nan 8.210 nan 0.000 0.498 247 Q N 1.897 121.689 119.800 -0.013 0.000 2.345 247 Q HA 0.352 4.693 4.340 0.001 0.000 0.275 247 Q C -0.520 175.453 176.000 -0.044 0.000 1.063 247 Q CA -0.538 55.252 55.803 -0.022 0.000 0.819 247 Q CB 2.632 31.364 28.738 -0.010 0.000 1.356 247 Q HN 0.593 nan 8.270 nan 0.000 0.418 248 S N -0.295 115.371 115.700 -0.058 0.000 2.572 248 S HA 0.078 4.549 4.470 0.001 0.000 0.279 248 S C 1.338 175.851 174.600 -0.144 0.000 1.341 248 S CA 0.261 58.408 58.200 -0.087 0.000 1.043 248 S CB 0.638 63.791 63.200 -0.077 0.000 0.887 248 S HN 0.742 nan 8.310 nan 0.000 0.516 249 T N -0.091 114.329 114.554 -0.223 0.000 2.788 249 T HA -0.178 4.173 4.350 0.001 0.000 0.268 249 T C 1.552 175.991 174.700 -0.434 0.000 1.044 249 T CA 1.250 63.067 62.100 -0.471 0.000 1.139 249 T CB -0.436 68.082 68.868 -0.583 0.000 0.867 249 T HN 0.687 nan 8.240 nan 0.000 0.454 250 K N 1.313 121.565 120.400 -0.247 0.000 2.001 250 K HA -0.238 4.083 4.320 0.001 0.000 0.214 250 K C 2.678 179.212 176.600 -0.110 0.000 1.050 250 K CA 1.709 57.903 56.287 -0.155 0.000 0.934 250 K CB -0.282 32.160 32.500 -0.096 0.000 0.718 250 K HN 0.399 nan 8.250 nan 0.000 0.443 251 R N 0.361 120.807 120.500 -0.089 0.000 2.088 251 R HA -0.158 4.182 4.340 0.001 0.000 0.232 251 R C 2.208 178.495 176.300 -0.022 0.000 1.136 251 R CA 2.175 58.247 56.100 -0.047 0.000 0.926 251 R CB -0.584 29.689 30.300 -0.043 0.000 0.837 251 R HN 0.109 nan 8.270 nan 0.000 0.429 252 V N 1.811 121.707 119.914 -0.030 0.000 2.282 252 V HA -0.316 3.805 4.120 0.001 0.000 0.249 252 V C 2.566 178.745 176.094 0.143 0.000 1.057 252 V CA 2.391 64.728 62.300 0.062 0.000 1.032 252 V CB -0.719 31.163 31.823 0.097 0.000 0.645 252 V HN 0.489 nan 8.190 nan 0.000 0.447 253 K N 0.201 120.629 120.400 0.048 0.000 2.044 253 K HA -0.266 4.054 4.320 0.001 0.000 0.210 253 K C 2.189 178.893 176.600 0.173 0.000 1.049 253 K CA 1.887 58.311 56.287 0.229 0.000 0.927 253 K CB -0.415 32.088 32.500 0.004 0.000 0.713 253 K HN 0.438 nan 8.250 nan 0.000 0.443 254 A N 1.482 124.353 122.820 0.086 0.000 1.865 254 A HA -0.217 4.103 4.320 0.001 0.000 0.217 254 A C 1.842 179.508 177.584 0.137 0.000 1.191 254 A CA 2.055 54.146 52.037 0.089 0.000 0.623 254 A CB -0.849 18.177 19.000 0.043 0.000 0.826 254 A HN 0.440 nan 8.150 nan 0.000 0.444 255 N N -0.070 118.707 118.700 0.129 0.000 2.223 255 N HA -0.080 4.661 4.740 0.001 0.000 0.185 255 N C 1.500 177.173 175.510 0.272 0.000 1.016 255 N CA 1.300 54.456 53.050 0.177 0.000 0.863 255 N CB -0.446 38.112 38.487 0.119 0.000 0.983 255 N HN 0.595 nan 8.380 nan 0.000 0.429 256 I N 0.354 121.061 120.570 0.228 0.000 2.202 256 I HA -0.198 3.972 4.170 0.001 0.000 0.242 256 I C 2.186 178.410 176.117 0.177 0.000 1.091 256 I CA 0.935 62.362 61.300 0.212 0.000 1.368 256 I CB -0.103 38.026 38.000 0.215 0.000 1.058 256 I HN 0.041 nan 8.210 nan 0.000 0.410 257 E N 1.119 121.421 120.200 0.170 0.000 2.204 257 E HA -0.264 4.087 4.350 0.001 0.000 0.195 257 E C 1.856 178.525 176.600 0.116 0.000 0.990 257 E CA 1.254 57.727 56.400 0.121 0.000 0.821 257 E CB -0.398 29.369 29.700 0.112 0.000 0.750 257 E HN 0.435 nan 8.360 nan 0.000 0.477 258 F N 0.721 120.683 119.950 0.021 0.000 2.031 258 F HA -0.156 4.372 4.527 0.001 0.000 0.295 258 F C 1.844 177.626 175.800 -0.030 0.000 1.133 258 F CA 1.788 59.772 58.000 -0.027 0.000 1.188 258 F CB -0.717 38.277 39.000 -0.010 0.000 0.974 258 F HN 0.036 nan 8.300 nan 0.000 0.473 259 L N 0.250 121.384 121.223 -0.148 0.000 2.051 259 L HA -0.296 4.045 4.340 0.001 0.000 0.214 259 L C 2.836 179.681 176.870 -0.042 0.000 1.076 259 L CA 1.771 56.556 54.840 -0.091 0.000 0.758 259 L CB -0.907 41.229 42.059 0.128 0.000 0.890 259 L HN 0.239 nan 8.230 nan 0.000 0.433 260 R N 0.359 120.840 120.500 -0.032 0.000 2.082 260 R HA -0.179 4.162 4.340 0.001 0.000 0.228 260 R C 2.647 178.901 176.300 -0.077 0.000 1.140 260 R CA 2.305 58.394 56.100 -0.019 0.000 0.920 260 R CB -0.368 29.936 30.300 0.005 0.000 0.828 260 R HN 0.497 nan 8.270 nan 0.000 0.430 261 S N -0.487 115.141 115.700 -0.119 0.000 2.368 261 S HA -0.108 4.362 4.470 0.001 0.000 0.225 261 S C 2.080 176.517 174.600 -0.271 0.000 1.030 261 S CA 1.760 59.874 58.200 -0.143 0.000 0.999 261 S CB -0.746 62.392 63.200 -0.103 0.000 0.844 261 S HN 0.341 nan 8.310 nan 0.000 0.459 262 T N 1.312 115.544 114.554 -0.536 0.000 2.699 262 T HA -0.006 4.345 4.350 0.001 0.000 0.268 262 T C 1.005 175.203 174.700 -0.836 0.000 1.036 262 T CA 1.712 63.249 62.100 -0.939 0.000 1.147 262 T CB -0.407 67.322 68.868 -1.899 0.000 0.862 262 T HN 0.524 nan 8.240 nan 0.000 0.446 263 F N 0.441 120.213 119.950 -0.298 0.000 2.694 263 F HA 0.337 4.865 4.527 0.001 0.000 0.292 263 F C 1.048 176.793 175.800 -0.092 0.000 1.121 263 F CA -0.463 57.425 58.000 -0.187 0.000 1.352 263 F CB -0.169 38.713 39.000 -0.197 0.000 1.107 263 F HN 0.138 nan 8.300 nan 0.000 0.597 264 N N 2.005 120.742 118.700 0.061 0.000 2.573 264 N HA -0.203 4.538 4.740 0.001 0.000 0.280 264 N C -1.158 174.390 175.510 0.064 0.000 1.187 264 N CA 0.028 53.106 53.050 0.046 0.000 0.717 264 N CB -0.891 37.618 38.487 0.036 0.000 0.899 264 N HN 0.290 nan 8.380 nan 0.000 0.546 265 L N 1.242 122.494 121.223 0.049 0.000 2.260 265 L HA 0.515 4.856 4.340 0.001 0.000 0.265 265 L C 0.540 177.417 176.870 0.013 0.000 1.015 265 L CA -1.146 53.710 54.840 0.027 0.000 0.826 265 L CB 1.042 43.106 42.059 0.010 0.000 1.373 265 L HN 0.571 nan 8.230 nan 0.000 0.450 266 N N -1.949 116.754 118.700 0.004 0.000 2.482 266 N HA 0.243 4.984 4.740 0.001 0.000 0.279 266 N C 0.296 175.799 175.510 -0.010 0.000 1.182 266 N CA -0.652 52.397 53.050 -0.003 0.000 0.969 266 N CB 1.158 39.642 38.487 -0.005 0.000 1.201 266 N HN 0.440 nan 8.380 nan 0.000 0.523 267 S N 0.094 115.784 115.700 -0.018 0.000 2.393 267 S HA -0.292 4.178 4.470 0.001 0.000 0.234 267 S C 1.218 175.801 174.600 -0.029 0.000 1.064 267 S CA 1.910 60.092 58.200 -0.030 0.000 1.088 267 S CB -0.584 62.592 63.200 -0.040 0.000 0.939 267 S HN 0.736 nan 8.310 nan 0.000 0.448 268 E N 0.811 120.997 120.200 -0.024 0.000 2.047 268 E HA -0.153 4.198 4.350 0.001 0.000 0.191 268 E C 2.244 178.844 176.600 0.000 0.000 0.987 268 E CA 1.204 57.593 56.400 -0.017 0.000 0.799 268 E CB -0.194 29.494 29.700 -0.020 0.000 0.752 268 E HN 0.592 nan 8.360 nan 0.000 0.449 269 E N 0.586 120.784 120.200 -0.004 0.000 2.110 269 E HA -0.200 4.151 4.350 0.001 0.000 0.193 269 E C 2.036 178.633 176.600 -0.005 0.000 0.988 269 E CA 0.614 57.010 56.400 -0.005 0.000 0.804 269 E CB -0.053 29.640 29.700 -0.012 0.000 0.745 269 E HN 0.084 nan 8.360 nan 0.000 0.458 270 L N 1.115 122.337 121.223 -0.002 0.000 1.994 270 L HA -0.162 4.179 4.340 0.001 0.000 0.208 270 L C 2.022 178.920 176.870 0.047 0.000 1.071 270 L CA 1.579 56.425 54.840 0.009 0.000 0.745 270 L CB -0.694 41.369 42.059 0.006 0.000 0.892 270 L HN 0.154 nan 8.230 nan 0.000 0.431 271 L N -1.416 119.832 121.223 0.042 0.000 2.013 271 L HA -0.273 4.068 4.340 0.001 0.000 0.212 271 L C 2.447 179.443 176.870 0.209 0.000 1.073 271 L CA 1.501 56.403 54.840 0.103 0.000 0.753 271 L CB -0.737 41.340 42.059 0.031 0.000 0.890 271 L HN 0.147 nan 8.230 nan 0.000 0.432 272 V N -0.316 119.671 119.914 0.123 0.000 2.407 272 V HA -0.285 3.836 4.120 0.001 0.000 0.248 272 V C 2.318 178.463 176.094 0.084 0.000 1.055 272 V CA 1.582 63.948 62.300 0.110 0.000 1.049 272 V CB -0.449 31.409 31.823 0.058 0.000 0.662 272 V HN 0.323 nan 8.190 nan 0.000 0.455 273 L N 0.281 121.534 121.223 0.050 0.000 1.976 273 L HA -0.119 4.222 4.340 0.001 0.000 0.209 273 L C 2.249 179.144 176.870 0.043 0.000 1.071 273 L CA 1.932 56.776 54.840 0.006 0.000 0.746 273 L CB -0.574 41.450 42.059 -0.057 0.000 0.890 273 L HN 0.217 nan 8.230 nan 0.000 0.432 274 I N -1.020 119.608 120.570 0.097 0.000 2.194 274 I HA -0.432 3.738 4.170 0.001 0.000 0.246 274 I C 2.530 178.667 176.117 0.034 0.000 1.093 274 I CA 1.586 62.952 61.300 0.111 0.000 1.355 274 I CB -0.822 37.320 38.000 0.237 0.000 1.046 274 I HN 0.419 nan 8.210 nan 0.000 0.413 275 C N 0.712 120.049 119.300 0.062 0.000 2.462 275 C HA 0.003 4.464 4.460 0.001 0.000 0.278 275 C C 2.605 177.602 174.990 0.012 0.000 1.253 275 C CA 0.707 59.712 59.018 -0.021 0.000 1.713 275 C CB -1.707 26.072 27.740 0.065 0.000 2.049 275 C HN 0.644 nan 8.230 nan 0.000 0.477 276 G N 1.277 110.102 108.800 0.042 0.000 3.078 276 G HA2 0.085 4.045 3.960 0.001 0.000 0.163 276 G HA3 0.085 4.045 3.960 0.001 0.000 0.163 276 G C -1.094 173.818 174.900 0.021 0.000 1.894 276 G CA 0.502 45.624 45.100 0.037 0.000 0.951 276 G HN 0.267 nan 8.290 nan 0.000 0.446 277 P HA 0.064 nan 4.420 nan 0.000 0.221 277 P C 1.565 178.870 177.300 0.008 0.000 1.150 277 P CA 1.508 64.613 63.100 0.008 0.000 0.800 277 P CB -0.131 31.561 31.700 -0.013 0.000 0.787 278 G N -0.740 108.061 108.800 0.002 0.000 3.088 278 G HA2 0.152 4.113 3.960 0.001 0.000 0.212 278 G HA3 0.152 4.113 3.960 0.001 0.000 0.212 278 G C 1.382 176.322 174.900 0.066 0.000 1.173 278 G CA 0.509 45.624 45.100 0.026 0.000 0.779 278 G HN 0.245 nan 8.290 nan 0.000 0.540 279 A N 2.060 124.908 122.820 0.047 0.000 1.858 279 A HA -0.087 4.233 4.320 0.001 0.000 0.216 279 A C 2.209 179.834 177.584 0.068 0.000 1.190 279 A CA 1.768 53.824 52.037 0.032 0.000 0.617 279 A CB -0.383 18.609 19.000 -0.013 0.000 0.827 279 A HN 0.528 nan 8.150 nan 0.000 0.443 280 E N 0.045 120.308 120.200 0.105 0.000 2.160 280 E HA -0.187 4.164 4.350 0.001 0.000 0.195 280 E C 1.549 178.270 176.600 0.202 0.000 0.991 280 E CA 1.277 57.762 56.400 0.142 0.000 0.810 280 E CB -0.543 29.291 29.700 0.222 0.000 0.742 280 E HN 0.512 nan 8.360 nan 0.000 0.466 281 I N 1.460 122.174 120.570 0.240 0.000 2.800 281 I HA -0.183 3.988 4.170 0.001 0.000 0.266 281 I C 2.204 178.409 176.117 0.146 0.000 1.249 281 I CA 0.999 62.435 61.300 0.227 0.000 1.458 281 I CB -0.859 37.263 38.000 0.202 0.000 1.093 281 I HN 0.211 nan 8.210 nan 0.000 0.466 282 L N -0.108 121.183 121.223 0.114 0.000 2.418 282 L HA -0.070 4.271 4.340 0.001 0.000 0.218 282 L C 1.717 178.612 176.870 0.041 0.000 1.125 282 L CA 0.541 55.434 54.840 0.088 0.000 0.835 282 L CB -0.404 41.708 42.059 0.089 0.000 0.953 282 L HN 0.123 nan 8.230 nan 0.000 0.454 283 D N 0.182 120.589 120.400 0.012 0.000 2.289 283 D HA 0.072 4.713 4.640 0.001 0.000 0.207 283 D C 1.107 177.350 176.300 -0.095 0.000 0.966 283 D CA 0.292 54.262 54.000 -0.050 0.000 0.868 283 D CB 0.140 40.876 40.800 -0.107 0.000 0.943 283 D HN 0.165 nan 8.370 nan 0.000 0.514 284 L N 1.064 122.241 121.223 -0.077 0.000 2.554 284 L HA -0.065 4.276 4.340 0.001 0.000 0.293 284 L C 1.226 178.028 176.870 -0.112 0.000 1.252 284 L CA 0.184 54.941 54.840 -0.138 0.000 0.862 284 L CB 0.182 42.207 42.059 -0.056 0.000 1.113 284 L HN -0.036 nan 8.230 nan 0.000 0.510 285 S N 1.723 117.335 115.700 -0.146 0.000 2.608 285 S HA 0.013 4.483 4.470 0.001 0.000 0.261 285 S C 0.337 174.939 174.600 0.004 0.000 1.314 285 S CA -0.717 57.447 58.200 -0.061 0.000 0.992 285 S CB 0.644 63.813 63.200 -0.052 0.000 0.935 285 S HN 0.677 nan 8.310 nan 0.000 0.564 286 N N 2.150 120.852 118.700 0.003 0.000 2.374 286 N HA -0.064 4.677 4.740 0.001 0.000 0.269 286 N C 0.399 175.919 175.510 0.018 0.000 1.310 286 N CA 1.131 54.183 53.050 0.004 0.000 0.877 286 N CB -0.537 37.950 38.487 -0.001 0.000 1.096 286 N HN 0.730 nan 8.380 nan 0.000 0.484 287 D N 1.827 122.222 120.400 -0.008 0.000 3.046 287 D HA -0.318 4.323 4.640 0.001 0.000 0.210 287 D C 0.464 176.747 176.300 -0.028 0.000 1.124 287 D CA 0.831 54.813 54.000 -0.030 0.000 0.986 287 D CB -1.087 39.702 40.800 -0.018 0.000 1.118 287 D HN 0.717 nan 8.370 nan 0.000 0.416 288 Y N 0.551 120.780 120.300 -0.117 0.000 2.133 288 Y HA 0.022 4.572 4.550 0.001 0.000 0.287 288 Y C 2.380 178.180 175.900 -0.167 0.000 1.134 288 Y CA 2.945 60.980 58.100 -0.107 0.000 1.133 288 Y CB -0.773 37.641 38.460 -0.076 0.000 0.987 288 Y HN 0.076 nan 8.280 nan 0.000 0.502 289 A N 1.420 124.274 122.820 0.057 0.000 1.892 289 A HA -0.254 4.067 4.320 0.001 0.000 0.218 289 A C 2.448 179.727 177.584 -0.508 0.000 1.188 289 A CA 2.026 53.881 52.037 -0.304 0.000 0.631 289 A CB -0.930 17.620 19.000 -0.750 0.000 0.822 289 A HN 0.498 nan 8.150 nan 0.000 0.447 290 R N -0.073 120.144 120.500 -0.471 0.000 2.083 290 R HA -0.138 4.203 4.340 0.001 0.000 0.237 290 R C 2.321 178.588 176.300 -0.054 0.000 1.137 290 R CA 1.917 57.922 56.100 -0.159 0.000 0.951 290 R CB -0.512 29.750 30.300 -0.062 0.000 0.851 290 R HN 0.602 nan 8.270 nan 0.000 0.434 291 R N -0.300 120.118 120.500 -0.137 0.000 2.070 291 R HA -0.089 4.252 4.340 0.001 0.000 0.232 291 R C 2.509 178.688 176.300 -0.202 0.000 1.138 291 R CA 1.763 57.767 56.100 -0.161 0.000 0.936 291 R CB -0.590 29.581 30.300 -0.215 0.000 0.839 291 R HN 0.214 nan 8.270 nan 0.000 0.429 292 S N -0.085 115.423 115.700 -0.321 0.000 2.374 292 S HA -0.239 4.231 4.470 0.001 0.000 0.227 292 S C 1.803 176.292 174.600 -0.185 0.000 1.037 292 S CA 1.530 59.539 58.200 -0.319 0.000 1.024 292 S CB -0.319 62.663 63.200 -0.364 0.000 0.861 292 S HN 0.438 nan 8.310 nan 0.000 0.456 293 Y N 1.748 121.947 120.300 -0.168 0.000 2.184 293 Y HA 0.090 4.641 4.550 0.002 0.000 0.290 293 Y C 2.423 178.234 175.900 -0.147 0.000 1.129 293 Y CA 1.203 59.248 58.100 -0.093 0.000 1.144 293 Y CB -1.000 37.523 38.460 0.105 0.000 0.995 293 Y HN 0.281 nan 8.280 nan 0.000 0.513 294 A N 0.610 123.399 122.820 -0.053 0.000 1.917 294 A HA -0.339 3.982 4.320 0.001 0.000 0.219 294 A C 2.078 179.505 177.584 -0.261 0.000 1.182 294 A CA 2.258 54.200 52.037 -0.158 0.000 0.633 294 A CB -1.289 17.674 19.000 -0.062 0.000 0.819 294 A HN 0.690 nan 8.150 nan 0.000 0.448 295 N N 0.141 118.700 118.700 -0.236 0.000 2.043 295 N HA -0.143 4.597 4.740 0.001 0.000 0.193 295 N C 1.507 176.848 175.510 -0.281 0.000 1.037 295 N CA 2.187 55.106 53.050 -0.219 0.000 0.851 295 N CB -0.429 37.936 38.487 -0.203 0.000 1.027 295 N HN 0.526 nan 8.380 nan 0.000 0.422 296 I N 0.455 120.747 120.570 -0.464 0.000 2.127 296 I HA -0.317 3.854 4.170 0.001 0.000 0.241 296 I C 2.517 178.395 176.117 -0.398 0.000 1.075 296 I CA 1.360 62.336 61.300 -0.539 0.000 1.334 296 I CB -0.442 37.182 38.000 -0.626 0.000 1.040 296 I HN 0.314 nan 8.210 nan 0.000 0.405 297 K N 0.935 120.951 120.400 -0.640 0.000 2.034 297 K HA -0.300 4.021 4.320 0.001 0.000 0.214 297 K C 2.225 178.482 176.600 -0.573 0.000 1.051 297 K CA 2.134 57.967 56.287 -0.756 0.000 0.931 297 K CB -0.236 31.708 32.500 -0.927 0.000 0.715 297 K HN 0.293 nan 8.250 nan 0.000 0.446 298 E N 0.778 120.759 120.200 -0.364 0.000 2.072 298 E HA -0.248 4.103 4.350 0.001 0.000 0.191 298 E C 1.931 178.512 176.600 -0.031 0.000 0.985 298 E CA 1.377 57.684 56.400 -0.156 0.000 0.801 298 E CB -0.010 29.627 29.700 -0.106 0.000 0.750 298 E HN 0.117 nan 8.360 nan 0.000 0.452 299 K N 0.425 120.811 120.400 -0.024 0.000 2.026 299 K HA -0.127 4.194 4.320 0.001 0.000 0.208 299 K C 2.196 178.832 176.600 0.060 0.000 1.048 299 K CA 0.995 57.318 56.287 0.060 0.000 0.929 299 K CB -0.437 32.178 32.500 0.192 0.000 0.713 299 K HN 0.102 nan 8.250 nan 0.000 0.439 300 L N -0.199 121.049 121.223 0.042 0.000 2.044 300 L HA -0.014 4.327 4.340 0.001 0.000 0.205 300 L C 2.098 179.084 176.870 0.194 0.000 1.075 300 L CA 1.411 56.287 54.840 0.060 0.000 0.747 300 L CB -0.825 41.236 42.059 0.002 0.000 0.903 300 L HN 0.113 nan 8.230 nan 0.000 0.435 301 F N 0.164 120.084 119.950 -0.050 0.000 2.192 301 F HA -0.269 4.258 4.527 0.001 0.000 0.301 301 F C 2.902 178.684 175.800 -0.029 0.000 1.079 301 F CA 1.285 59.263 58.000 -0.036 0.000 1.303 301 F CB -1.465 37.513 39.000 -0.036 0.000 1.024 301 F HN 0.292 nan 8.300 nan 0.000 0.494 302 S N -0.292 115.509 115.700 0.167 0.000 2.447 302 S HA -0.117 4.354 4.470 0.001 0.000 0.233 302 S C 1.611 176.234 174.600 0.039 0.000 1.006 302 S CA 0.861 59.108 58.200 0.078 0.000 0.957 302 S CB -0.657 62.576 63.200 0.054 0.000 0.773 302 S HN 0.436 nan 8.310 nan 0.000 0.507 303 L N 0.678 121.925 121.223 0.039 0.000 2.667 303 L HA 0.429 4.769 4.340 0.001 0.000 0.232 303 L C 1.582 178.450 176.870 -0.004 0.000 1.138 303 L CA 0.220 55.064 54.840 0.007 0.000 0.921 303 L CB -0.163 41.891 42.059 -0.008 0.000 1.180 303 L HN 0.543 nan 8.230 nan 0.000 0.487 304 G N -0.777 108.018 108.800 -0.009 0.000 2.131 304 G HA2 -0.230 3.731 3.960 0.001 0.000 0.223 304 G HA3 -0.230 3.731 3.960 0.001 0.000 0.223 304 G C 0.284 175.145 174.900 -0.064 0.000 0.990 304 G CA -0.111 44.959 45.100 -0.048 0.000 0.671 304 G HN 0.309 nan 8.290 nan 0.000 0.521 305 C N 0.244 119.528 119.300 -0.025 0.000 2.560 305 C HA 0.758 5.219 4.460 0.001 0.000 0.334 305 C C 1.228 176.164 174.990 -0.090 0.000 1.404 305 C CA 0.420 59.442 59.018 0.006 0.000 2.410 305 C CB 0.846 28.652 27.740 0.110 0.000 2.268 305 C HN 0.572 nan 8.230 nan 0.000 0.673 306 T N 0.084 114.650 114.554 0.019 0.000 2.888 306 T HA 0.216 4.566 4.350 0.001 0.000 0.284 306 T C 0.727 175.557 174.700 0.216 0.000 1.017 306 T CA -0.233 61.864 62.100 -0.005 0.000 1.022 306 T CB 1.699 70.585 68.868 0.031 0.000 1.013 306 T HN 0.775 nan 8.240 nan 0.000 0.465 307 E N 2.173 122.502 120.200 0.216 0.000 2.097 307 E HA -0.260 4.091 4.350 0.001 0.000 0.196 307 E C 1.949 178.717 176.600 0.280 0.000 1.000 307 E CA 2.276 58.929 56.400 0.423 0.000 0.804 307 E CB -0.028 29.858 29.700 0.309 0.000 0.740 307 E HN 0.853 nan 8.360 nan 0.000 0.454 308 E N -0.175 120.137 120.200 0.186 0.000 2.216 308 E HA -0.160 4.191 4.350 0.001 0.000 0.192 308 E C 1.971 178.677 176.600 0.177 0.000 0.988 308 E CA 0.830 57.328 56.400 0.164 0.000 0.834 308 E CB -0.234 29.533 29.700 0.111 0.000 0.772 308 E HN 0.385 nan 8.360 nan 0.000 0.479 309 E N 0.794 121.095 120.200 0.168 0.000 2.077 309 E HA -0.146 4.204 4.350 0.001 0.000 0.193 309 E C 2.225 178.965 176.600 0.233 0.000 0.989 309 E CA 1.506 58.008 56.400 0.169 0.000 0.800 309 E CB 0.107 29.881 29.700 0.123 0.000 0.746 309 E HN 0.155 nan 8.360 nan 0.000 0.452 310 V N 1.465 121.536 119.914 0.261 0.000 2.343 310 V HA -0.281 3.840 4.120 0.001 0.000 0.247 310 V C 2.285 178.611 176.094 0.387 0.000 1.051 310 V CA 1.721 64.188 62.300 0.277 0.000 1.036 310 V CB -0.512 31.410 31.823 0.164 0.000 0.654 310 V HN 0.278 nan 8.190 nan 0.000 0.451 311 Q N -0.088 119.935 119.800 0.371 0.000 2.061 311 Q HA -0.238 4.103 4.340 0.001 0.000 0.204 311 Q C 2.392 178.603 176.000 0.351 0.000 0.984 311 Q CA 1.566 57.641 55.803 0.453 0.000 0.846 311 Q CB -0.279 28.686 28.738 0.378 0.000 0.902 311 Q HN 0.610 nan 8.270 nan 0.000 0.421 312 K N 0.291 120.848 120.400 0.262 0.000 2.032 312 K HA -0.180 4.141 4.320 0.001 0.000 0.209 312 K C 1.985 178.716 176.600 0.218 0.000 1.048 312 K CA 1.357 57.757 56.287 0.189 0.000 0.927 312 K CB -0.420 32.179 32.500 0.165 0.000 0.712 312 K HN 0.112 nan 8.250 nan 0.000 0.441 313 F N 2.086 122.130 119.950 0.156 0.000 2.087 313 F HA -0.294 4.233 4.527 0.001 0.000 0.299 313 F C 1.967 177.881 175.800 0.190 0.000 1.100 313 F CA 1.467 59.569 58.000 0.169 0.000 1.226 313 F CB -0.382 38.720 39.000 0.170 0.000 0.983 313 F HN -0.259 nan 8.300 nan 0.000 0.479 314 V N 0.742 120.746 119.914 0.150 0.000 2.283 314 V HA -0.280 3.840 4.120 0.001 0.000 0.243 314 V C 2.530 178.586 176.094 -0.063 0.000 1.039 314 V CA 1.914 64.237 62.300 0.040 0.000 1.016 314 V CB -0.821 31.265 31.823 0.437 0.000 0.650 314 V HN 0.395 nan 8.190 nan 0.000 0.449 315 L N 1.157 122.346 121.223 -0.057 0.000 2.127 315 L HA -0.154 4.186 4.340 0.001 0.000 0.211 315 L C 2.485 179.289 176.870 -0.109 0.000 1.089 315 L CA 1.865 56.573 54.840 -0.219 0.000 0.757 315 L CB -0.646 41.264 42.059 -0.247 0.000 0.899 315 L HN 0.573 nan 8.230 nan 0.000 0.434 316 S N -1.927 113.749 115.700 -0.040 0.000 2.603 316 S HA -0.125 4.346 4.470 0.001 0.000 0.220 316 S C 0.312 174.949 174.600 0.061 0.000 0.967 316 S CA 0.032 58.234 58.200 0.003 0.000 0.920 316 S CB -0.004 63.214 63.200 0.031 0.000 0.773 316 S HN 0.466 nan 8.310 nan 0.000 0.529 317 Y N 0.297 120.485 120.300 -0.188 0.000 2.733 317 Y HA 0.342 4.892 4.550 0.001 0.000 0.269 317 Y C -3.226 172.540 175.900 -0.223 0.000 1.038 317 Y CA -2.199 55.784 58.100 -0.196 0.000 1.358 317 Y CB 0.254 38.569 38.460 -0.241 0.000 1.145 317 Y HN -0.010 nan 8.280 nan 0.000 0.513 318 P HA 0.050 nan 4.420 nan 0.000 0.237 318 P C 0.511 177.414 177.300 -0.660 0.000 1.178 318 P CA 1.289 64.162 63.100 -0.379 0.000 0.766 318 P CB 0.407 31.970 31.700 -0.228 0.000 0.876 319 D N -1.069 118.846 120.400 -0.808 0.000 2.350 319 D HA -0.104 4.537 4.640 0.001 0.000 0.216 319 D C 1.760 177.610 176.300 -0.750 0.000 0.968 319 D CA 0.408 53.937 54.000 -0.784 0.000 0.894 319 D CB -0.651 39.918 40.800 -0.386 0.000 0.909 319 D HN -0.004 nan 8.370 nan 0.000 0.520 320 V N 0.734 120.154 119.914 -0.823 0.000 2.720 320 V HA -0.171 3.950 4.120 0.001 0.000 0.256 320 V C 1.613 177.553 176.094 -0.256 0.000 1.082 320 V CA 1.085 63.152 62.300 -0.388 0.000 1.101 320 V CB -0.307 31.359 31.823 -0.262 0.000 0.693 320 V HN 0.214 nan 8.190 nan 0.000 0.479 321 I N -0.373 119.958 120.570 -0.399 0.000 2.493 321 I HA -0.143 4.027 4.170 0.001 0.000 0.254 321 I C 2.148 178.270 176.117 0.009 0.000 1.160 321 I CA 1.716 62.879 61.300 -0.228 0.000 1.445 321 I CB -1.208 36.638 38.000 -0.257 0.000 1.086 321 I HN 0.362 nan 8.210 nan 0.000 0.433 322 F N 0.569 120.552 119.950 0.055 0.000 2.802 322 F HA 0.091 4.618 4.527 0.001 0.000 0.300 322 F C 1.265 177.130 175.800 0.108 0.000 1.168 322 F CA -0.327 57.715 58.000 0.070 0.000 1.433 322 F CB -0.060 38.927 39.000 -0.021 0.000 1.115 322 F HN -0.100 nan 8.300 nan 0.000 0.582 323 L N 1.048 122.405 121.223 0.223 0.000 2.397 323 L HA 0.350 4.690 4.340 0.001 0.000 0.271 323 L C 0.697 177.678 176.870 0.185 0.000 1.148 323 L CA -0.808 54.155 54.840 0.204 0.000 0.825 323 L CB 0.864 43.062 42.059 0.232 0.000 1.117 323 L HN 0.008 nan 8.230 nan 0.000 0.456 324 A N 3.045 125.966 122.820 0.168 0.000 2.498 324 A HA 0.045 4.366 4.320 0.001 0.000 0.239 324 A C 1.145 178.788 177.584 0.098 0.000 1.068 324 A CA -0.117 51.993 52.037 0.122 0.000 0.766 324 A CB 0.130 19.193 19.000 0.104 0.000 1.003 324 A HN 0.937 nan 8.150 nan 0.000 0.497 325 E N 1.258 121.472 120.200 0.023 0.000 2.147 325 E HA -0.247 4.104 4.350 0.001 0.000 0.199 325 E C 1.681 178.339 176.600 0.098 0.000 1.005 325 E CA 1.810 58.221 56.400 0.018 0.000 0.810 325 E CB 0.019 29.689 29.700 -0.052 0.000 0.736 325 E HN 0.744 nan 8.360 nan 0.000 0.460 326 K N 1.056 121.502 120.400 0.077 0.000 2.076 326 K HA -0.090 4.230 4.320 0.001 0.000 0.204 326 K C 2.041 178.696 176.600 0.092 0.000 1.051 326 K CA 0.646 56.978 56.287 0.074 0.000 0.949 326 K CB 0.131 32.659 32.500 0.046 0.000 0.726 326 K HN -0.097 nan 8.250 nan 0.000 0.443 327 K N 0.031 120.495 120.400 0.107 0.000 2.020 327 K HA -0.211 4.110 4.320 0.001 0.000 0.212 327 K C 1.989 178.668 176.600 0.133 0.000 1.050 327 K CA 1.987 58.339 56.287 0.109 0.000 0.929 327 K CB -0.304 32.271 32.500 0.124 0.000 0.714 327 K HN 0.090 nan 8.250 nan 0.000 0.443 328 F N 2.392 122.366 119.950 0.040 0.000 2.026 328 F HA -0.287 4.241 4.527 0.002 0.000 0.296 328 F C 1.828 177.645 175.800 0.028 0.000 1.133 328 F CA 1.925 59.953 58.000 0.047 0.000 1.188 328 F CB -0.540 38.486 39.000 0.043 0.000 0.968 328 F HN 0.064 nan 8.300 nan 0.000 0.476 329 N N 0.908 119.712 118.700 0.174 0.000 2.060 329 N HA -0.224 4.517 4.740 0.001 0.000 0.195 329 N C 1.332 176.799 175.510 -0.072 0.000 1.028 329 N CA 1.928 54.999 53.050 0.036 0.000 0.861 329 N CB -0.820 37.727 38.487 0.099 0.000 1.029 329 N HN 0.382 nan 8.380 nan 0.000 0.428 330 D N 0.309 120.691 120.400 -0.030 0.000 2.144 330 D HA -0.069 4.571 4.640 0.001 0.000 0.200 330 D C 1.719 177.976 176.300 -0.072 0.000 0.978 330 D CA 0.892 54.871 54.000 -0.036 0.000 0.833 330 D CB -0.095 40.702 40.800 -0.005 0.000 0.961 330 D HN 0.346 nan 8.370 nan 0.000 0.470 331 K N 0.247 120.584 120.400 -0.105 0.000 2.025 331 K HA -0.012 4.308 4.320 0.001 0.000 0.207 331 K C 2.297 178.794 176.600 -0.170 0.000 1.049 331 K CA 0.560 56.775 56.287 -0.119 0.000 0.933 331 K CB -0.062 32.370 32.500 -0.113 0.000 0.714 331 K HN 0.158 nan 8.250 nan 0.000 0.438 332 I N 1.619 122.014 120.570 -0.291 0.000 2.179 332 I HA -0.292 3.879 4.170 0.001 0.000 0.242 332 I C 1.760 177.783 176.117 -0.158 0.000 1.088 332 I CA 1.322 62.455 61.300 -0.278 0.000 1.357 332 I CB -0.370 37.378 38.000 -0.420 0.000 1.051 332 I HN 0.180 nan 8.210 nan 0.000 0.409 333 D N 0.486 120.810 120.400 -0.127 0.000 2.133 333 D HA -0.224 4.417 4.640 0.001 0.000 0.195 333 D C 2.245 178.508 176.300 -0.063 0.000 0.997 333 D CA 1.738 55.693 54.000 -0.076 0.000 0.840 333 D CB -0.485 40.283 40.800 -0.053 0.000 0.947 333 D HN 0.525 nan 8.370 nan 0.000 0.452 334 C N -0.018 119.243 119.300 -0.065 0.000 2.446 334 C HA 0.089 4.550 4.460 0.001 0.000 0.279 334 C C 2.711 177.671 174.990 -0.051 0.000 1.366 334 C CA -0.098 58.891 59.018 -0.049 0.000 1.763 334 C CB -1.303 26.411 27.740 -0.043 0.000 1.929 334 C HN 0.212 nan 8.230 nan 0.000 0.509 335 L N 0.074 121.258 121.223 -0.065 0.000 2.072 335 L HA -0.029 4.312 4.340 0.001 0.000 0.205 335 L C 3.039 179.878 176.870 -0.053 0.000 1.079 335 L CA 1.231 56.035 54.840 -0.060 0.000 0.752 335 L CB -0.616 41.399 42.059 -0.073 0.000 0.906 335 L HN 0.202 nan 8.230 nan 0.000 0.436 336 M N -0.165 119.399 119.600 -0.059 0.000 2.080 336 M HA -0.236 4.244 4.480 0.001 0.000 0.260 336 M C 2.147 178.426 176.300 -0.035 0.000 1.068 336 M CA 1.700 56.971 55.300 -0.048 0.000 1.109 336 M CB -1.119 31.450 32.600 -0.052 0.000 1.342 336 M HN 0.248 nan 8.290 nan 0.000 0.405 337 E N 0.181 120.361 120.200 -0.034 0.000 2.114 337 E HA -0.201 4.149 4.350 0.001 0.000 0.199 337 E C 0.958 177.545 176.600 -0.021 0.000 1.008 337 E CA 1.135 57.520 56.400 -0.025 0.000 0.810 337 E CB -0.112 29.574 29.700 -0.024 0.000 0.739 337 E HN 0.502 nan 8.360 nan 0.000 0.456 338 E N 0.536 120.722 120.200 -0.023 0.000 2.320 338 E HA 0.052 4.403 4.350 0.001 0.000 0.189 338 E C -0.587 176.003 176.600 -0.018 0.000 1.100 338 E CA -0.112 56.277 56.400 -0.018 0.000 1.009 338 E CB -0.740 28.948 29.700 -0.019 0.000 1.145 338 E HN 0.304 nan 8.360 nan 0.000 0.454 339 N N 0.932 119.621 118.700 -0.019 0.000 2.727 339 N HA -0.191 4.550 4.740 0.001 0.000 0.249 339 N C -0.664 174.835 175.510 -0.019 0.000 1.048 339 N CA 0.091 53.131 53.050 -0.017 0.000 0.714 339 N CB -1.061 37.420 38.487 -0.011 0.000 0.959 339 N HN 0.304 nan 8.380 nan 0.000 0.544 340 I N 0.922 121.476 120.570 -0.026 0.000 2.291 340 I HA 0.083 4.254 4.170 0.001 0.000 0.290 340 I C 0.954 177.053 176.117 -0.030 0.000 1.050 340 I CA -0.378 60.905 61.300 -0.028 0.000 1.245 340 I CB 1.319 39.299 38.000 -0.035 0.000 1.405 340 I HN 0.118 nan 8.210 nan 0.000 0.478 341 S N 5.104 120.790 115.700 -0.023 0.000 2.715 341 S HA -0.120 4.351 4.470 0.001 0.000 0.318 341 S C 1.302 175.885 174.600 -0.029 0.000 1.242 341 S CA -0.278 57.909 58.200 -0.022 0.000 1.044 341 S CB 0.217 63.409 63.200 -0.013 0.000 0.760 341 S HN 0.567 nan 8.310 nan 0.000 0.501 342 I N 5.527 126.076 120.570 -0.035 0.000 2.248 342 I HA -0.125 4.046 4.170 0.001 0.000 0.248 342 I C 2.340 178.433 176.117 -0.041 0.000 1.107 342 I CA 2.468 63.737 61.300 -0.051 0.000 1.373 342 I CB -0.966 37.004 38.000 -0.051 0.000 1.055 342 I HN 0.798 nan 8.210 nan 0.000 0.418 343 S N -0.341 115.348 115.700 -0.019 0.000 2.382 343 S HA -0.240 4.230 4.470 0.001 0.000 0.228 343 S C 2.031 176.638 174.600 0.012 0.000 1.027 343 S CA 1.526 59.727 58.200 0.001 0.000 0.991 343 S CB -0.399 62.805 63.200 0.006 0.000 0.823 343 S HN 0.696 nan 8.310 nan 0.000 0.469 344 Q N -0.271 119.529 119.800 0.001 0.000 2.135 344 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 344 Q C 2.031 178.041 176.000 0.017 0.000 0.981 344 Q CA 1.712 57.517 55.803 0.003 0.000 0.856 344 Q CB -0.278 28.453 28.738 -0.012 0.000 0.902 344 Q HN 0.535 nan 8.270 nan 0.000 0.425 345 I N 0.672 121.247 120.570 0.009 0.000 2.193 345 I HA -0.249 3.921 4.170 0.001 0.000 0.240 345 I C 2.238 178.436 176.117 0.134 0.000 1.084 345 I CA 1.011 62.334 61.300 0.038 0.000 1.365 345 I CB -0.456 37.529 38.000 -0.025 0.000 1.064 345 I HN 0.259 nan 8.210 nan 0.000 0.410 346 I N -1.637 118.983 120.570 0.083 0.000 2.700 346 I HA -0.179 3.992 4.170 0.001 0.000 0.261 346 I C 1.490 177.790 176.117 0.306 0.000 1.219 346 I CA 1.570 63.016 61.300 0.242 0.000 1.463 346 I CB -0.649 37.386 38.000 0.058 0.000 1.092 346 I HN 0.278 nan 8.210 nan 0.000 0.452 347 E N 1.017 121.315 120.200 0.163 0.000 2.474 347 E HA 0.127 4.478 4.350 0.001 0.000 0.195 347 E C -0.306 176.347 176.600 0.088 0.000 1.039 347 E CA -0.096 56.375 56.400 0.119 0.000 0.881 347 E CB 0.318 30.063 29.700 0.075 0.000 0.970 347 E HN 0.497 nan 8.360 nan 0.000 0.486 348 N N 0.464 119.223 118.700 0.098 0.000 2.703 348 N HA 0.114 4.855 4.740 0.001 0.000 0.283 348 N C -2.374 173.170 175.510 0.058 0.000 1.851 348 N CA -0.980 52.097 53.050 0.045 0.000 0.826 348 N CB 1.168 39.661 38.487 0.011 0.000 1.239 348 N HN -0.015 nan 8.380 nan 0.000 0.495 349 P HA -0.026 nan 4.420 nan 0.000 0.220 349 P C 1.235 178.430 177.300 -0.175 0.000 1.148 349 P CA 0.911 64.083 63.100 0.120 0.000 0.803 349 P CB 0.464 32.151 31.700 -0.020 0.000 0.782 350 R N -0.604 119.640 120.500 -0.428 0.000 2.339 350 R HA 0.017 4.358 4.340 0.001 0.000 0.199 350 R C 1.383 177.592 176.300 -0.152 0.000 1.018 350 R CA 0.279 56.064 56.100 -0.525 0.000 1.036 350 R CB -0.481 29.559 30.300 -0.432 0.000 0.899 350 R HN 0.116 nan 8.270 nan 0.000 0.473 351 V N 0.757 120.634 119.914 -0.061 0.000 2.970 351 V HA -0.144 3.976 4.120 0.001 0.000 0.260 351 V C 1.733 177.841 176.094 0.023 0.000 1.100 351 V CA 1.180 63.467 62.300 -0.021 0.000 1.122 351 V CB -0.252 31.553 31.823 -0.031 0.000 0.721 351 V HN 0.358 nan 8.190 nan 0.000 0.483 352 L N -0.284 120.991 121.223 0.088 0.000 2.627 352 L HA 0.017 4.358 4.340 0.001 0.000 0.233 352 L C 1.828 178.803 176.870 0.175 0.000 1.144 352 L CA 0.251 55.182 54.840 0.152 0.000 0.892 352 L CB -0.503 41.726 42.059 0.282 0.000 1.039 352 L HN 0.286 nan 8.230 nan 0.000 0.442 353 D N 0.209 120.691 120.400 0.135 0.000 2.084 353 D HA -0.074 4.567 4.640 0.001 0.000 0.196 353 D C 1.008 177.363 176.300 0.092 0.000 0.985 353 D CA 0.751 54.834 54.000 0.137 0.000 0.826 353 D CB 0.016 40.876 40.800 0.100 0.000 0.978 353 D HN 0.145 nan 8.370 nan 0.000 0.456 354 S N 0.752 116.483 115.700 0.052 0.000 2.552 354 S HA 0.115 4.586 4.470 0.001 0.000 0.289 354 S C 0.457 175.072 174.600 0.024 0.000 1.304 354 S CA -0.431 57.783 58.200 0.023 0.000 1.063 354 S CB 0.695 63.883 63.200 -0.021 0.000 0.848 354 S HN 0.277 nan 8.310 nan 0.000 0.499 355 S N 2.553 118.266 115.700 0.021 0.000 2.549 355 S HA 0.081 4.552 4.470 0.001 0.000 0.286 355 S C 1.220 175.822 174.600 0.003 0.000 1.314 355 S CA -0.678 57.534 58.200 0.020 0.000 1.062 355 S CB -0.126 63.086 63.200 0.020 0.000 0.865 355 S HN 0.452 nan 8.310 nan 0.000 0.498 356 I N 3.210 123.783 120.570 0.005 0.000 2.290 356 I HA -0.269 3.902 4.170 0.001 0.000 0.253 356 I C 2.584 178.693 176.117 -0.013 0.000 1.112 356 I CA 1.816 63.111 61.300 -0.008 0.000 1.377 356 I CB -1.327 36.671 38.000 -0.004 0.000 1.060 356 I HN 0.756 nan 8.210 nan 0.000 0.428 357 S N 0.059 115.756 115.700 -0.006 0.000 2.343 357 S HA -0.208 4.262 4.470 0.001 0.000 0.219 357 S C 2.167 176.757 174.600 -0.017 0.000 1.033 357 S CA 2.050 60.246 58.200 -0.006 0.000 1.014 357 S CB -1.135 62.067 63.200 0.003 0.000 0.915 357 S HN 0.695 nan 8.310 nan 0.000 0.435 358 T N 1.679 116.218 114.554 -0.024 0.000 2.708 358 T HA -0.007 4.344 4.350 0.001 0.000 0.266 358 T C 1.756 176.405 174.700 -0.085 0.000 1.037 358 T CA 0.908 62.976 62.100 -0.053 0.000 1.146 358 T CB -0.754 68.079 68.868 -0.058 0.000 0.865 358 T HN 0.091 nan 8.240 nan 0.000 0.435 359 L N 1.673 122.853 121.223 -0.071 0.000 2.051 359 L HA -0.068 4.273 4.340 0.001 0.000 0.214 359 L C 2.616 179.446 176.870 -0.067 0.000 1.076 359 L CA 1.844 56.637 54.840 -0.079 0.000 0.758 359 L CB -0.783 41.245 42.059 -0.052 0.000 0.890 359 L HN 0.341 nan 8.230 nan 0.000 0.433 360 K N -1.285 119.088 120.400 -0.044 0.000 2.007 360 K HA -0.138 4.182 4.320 0.001 0.000 0.206 360 K C 2.304 178.890 176.600 -0.024 0.000 1.047 360 K CA 1.420 57.689 56.287 -0.031 0.000 0.937 360 K CB -0.172 32.317 32.500 -0.019 0.000 0.718 360 K HN 0.475 nan 8.250 nan 0.000 0.438 361 S N 0.383 116.070 115.700 -0.021 0.000 2.368 361 S HA -0.182 4.288 4.470 0.001 0.000 0.225 361 S C 2.107 176.709 174.600 0.003 0.000 1.030 361 S CA 1.031 59.230 58.200 -0.001 0.000 0.999 361 S CB -0.420 62.784 63.200 0.008 0.000 0.844 361 S HN 0.272 nan 8.310 nan 0.000 0.459 362 R N 1.274 121.741 120.500 -0.056 0.000 2.133 362 R HA -0.056 4.285 4.340 0.001 0.000 0.245 362 R C 2.187 178.491 176.300 0.006 0.000 1.137 362 R CA 2.203 58.239 56.100 -0.107 0.000 0.947 362 R CB -1.032 29.072 30.300 -0.326 0.000 0.865 362 R HN 0.621 nan 8.270 nan 0.000 0.437 363 I N 0.161 120.717 120.570 -0.023 0.000 2.052 363 I HA -0.353 3.817 4.170 0.001 0.000 0.235 363 I C 2.182 178.315 176.117 0.027 0.000 1.046 363 I CA 1.444 62.744 61.300 0.000 0.000 1.308 363 I CB -0.370 37.620 38.000 -0.017 0.000 1.031 363 I HN 0.094 nan 8.210 nan 0.000 0.395 364 K N 1.055 121.467 120.400 0.020 0.000 2.077 364 K HA -0.239 4.082 4.320 0.001 0.000 0.213 364 K C 1.880 178.507 176.600 0.046 0.000 1.051 364 K CA 1.699 58.002 56.287 0.027 0.000 0.929 364 K CB -0.489 32.023 32.500 0.021 0.000 0.715 364 K HN 0.430 nan 8.250 nan 0.000 0.451 365 E N -0.122 120.119 120.200 0.069 0.000 2.058 365 E HA -0.191 4.160 4.350 0.001 0.000 0.194 365 E C 2.169 178.824 176.600 0.092 0.000 0.997 365 E CA 1.247 57.703 56.400 0.094 0.000 0.801 365 E CB -0.241 29.554 29.700 0.158 0.000 0.746 365 E HN 0.172 nan 8.360 nan 0.000 0.450 366 L N 0.621 121.911 121.223 0.113 0.000 1.989 366 L HA -0.225 4.115 4.340 0.001 0.000 0.211 366 L C 2.551 179.456 176.870 0.059 0.000 1.071 366 L CA 0.968 55.864 54.840 0.093 0.000 0.749 366 L CB -0.405 41.712 42.059 0.096 0.000 0.890 366 L HN 0.056 nan 8.230 nan 0.000 0.431 367 V N 0.151 120.092 119.914 0.046 0.000 2.255 367 V HA -0.323 3.798 4.120 0.001 0.000 0.247 367 V C 2.234 178.347 176.094 0.033 0.000 1.051 367 V CA 2.077 64.397 62.300 0.033 0.000 1.018 367 V CB -0.718 31.119 31.823 0.023 0.000 0.641 367 V HN 0.515 nan 8.190 nan 0.000 0.445 368 N N 0.747 119.468 118.700 0.034 0.000 2.149 368 N HA -0.122 4.619 4.740 0.001 0.000 0.188 368 N C 1.518 177.049 175.510 0.035 0.000 1.019 368 N CA 1.547 54.616 53.050 0.032 0.000 0.857 368 N CB -0.525 37.981 38.487 0.032 0.000 0.997 368 N HN 0.512 nan 8.380 nan 0.000 0.426 369 A N 0.536 123.380 122.820 0.041 0.000 2.223 369 A HA 0.347 4.668 4.320 0.001 0.000 0.222 369 A C 1.128 178.738 177.584 0.043 0.000 1.317 369 A CA 0.484 52.547 52.037 0.043 0.000 0.985 369 A CB -1.119 17.906 19.000 0.042 0.000 0.858 369 A HN 0.316 nan 8.150 nan 0.000 0.496 370 G N -1.253 107.569 108.800 0.036 0.000 2.372 370 G HA2 -0.229 3.731 3.960 0.001 0.000 0.297 370 G HA3 -0.229 3.731 3.960 0.001 0.000 0.297 370 G C 0.099 175.021 174.900 0.037 0.000 1.005 370 G CA 0.282 45.400 45.100 0.029 0.000 1.173 370 G HN 0.618 nan 8.290 nan 0.000 0.511 371 C N 0.081 119.408 119.300 0.045 0.000 2.822 371 C HA 0.839 5.299 4.460 0.001 0.000 0.341 371 C C 0.043 175.060 174.990 0.045 0.000 1.301 371 C CA -0.564 58.489 59.018 0.058 0.000 1.706 371 C CB 1.849 29.628 27.740 0.065 0.000 2.178 371 C HN 0.841 nan 8.230 nan 0.000 0.481 372 N N 1.063 119.792 118.700 0.049 0.000 2.664 372 N HA 0.345 5.085 4.740 0.001 0.000 0.257 372 N C -0.139 175.385 175.510 0.023 0.000 1.108 372 N CA -0.448 52.623 53.050 0.035 0.000 0.822 372 N CB 0.068 38.582 38.487 0.045 0.000 1.199 372 N HN 0.534 nan 8.380 nan 0.000 0.529 373 L N -0.433 120.797 121.223 0.012 0.000 2.456 373 L HA -0.022 4.318 4.340 0.001 0.000 0.224 373 L C 1.226 178.092 176.870 -0.006 0.000 1.148 373 L CA 0.805 55.645 54.840 -0.001 0.000 0.825 373 L CB -0.094 41.962 42.059 -0.006 0.000 0.937 373 L HN 0.465 nan 8.230 nan 0.000 0.450 374 S N -1.488 114.212 115.700 -0.000 0.000 2.501 374 S HA -0.044 4.427 4.470 0.001 0.000 0.220 374 S C 1.930 176.531 174.600 0.002 0.000 0.997 374 S CA 0.750 58.949 58.200 -0.002 0.000 0.919 374 S CB 0.228 63.428 63.200 0.000 0.000 0.778 374 S HN 0.377 nan 8.310 nan 0.000 0.523 375 T N 2.561 117.120 114.554 0.008 0.000 2.953 375 T HA 0.224 4.575 4.350 0.001 0.000 0.247 375 T C 0.631 175.332 174.700 0.002 0.000 1.029 375 T CA 0.243 62.351 62.100 0.013 0.000 1.144 375 T CB -0.202 68.685 68.868 0.031 0.000 0.870 375 T HN 0.327 nan 8.240 nan 0.000 0.446 376 L N 0.781 122.002 121.223 -0.004 0.000 2.475 376 L HA 0.535 4.876 4.340 0.001 0.000 0.250 376 L C 0.052 176.892 176.870 -0.049 0.000 1.224 376 L CA -0.807 54.018 54.840 -0.025 0.000 0.821 376 L CB -0.105 41.940 42.059 -0.023 0.000 1.141 376 L HN -0.199 nan 8.230 nan 0.000 0.494 377 N N 0.557 119.209 118.700 -0.079 0.000 2.521 377 N HA 0.220 4.960 4.740 0.001 0.000 0.236 377 N C 0.527 175.934 175.510 -0.171 0.000 1.067 377 N CA -0.409 52.579 53.050 -0.102 0.000 0.939 377 N CB 0.125 38.555 38.487 -0.096 0.000 1.201 377 N HN 0.796 nan 8.380 nan 0.000 0.511 378 I N 0.573 121.062 120.570 -0.135 0.000 3.550 378 I HA -0.002 4.168 4.170 0.001 0.000 0.295 378 I C 1.355 177.337 176.117 -0.225 0.000 1.291 378 I CA 0.336 61.539 61.300 -0.161 0.000 1.298 378 I CB -0.672 37.269 38.000 -0.097 0.000 1.026 378 I HN 0.305 nan 8.210 nan 0.000 0.491 379 T N -0.412 113.982 114.554 -0.267 0.000 2.881 379 T HA -0.182 4.169 4.350 0.001 0.000 0.270 379 T C 1.799 176.026 174.700 -0.787 0.000 1.068 379 T CA 1.165 63.082 62.100 -0.305 0.000 1.131 379 T CB -0.505 68.296 68.868 -0.111 0.000 0.871 379 T HN 0.485 nan 8.240 nan 0.000 0.479 380 L N 1.048 121.651 121.223 -1.034 0.000 2.089 380 L HA -0.063 4.277 4.340 0.001 0.000 0.213 380 L C 2.237 178.765 176.870 -0.570 0.000 1.079 380 L CA 1.656 55.752 54.840 -1.241 0.000 0.758 380 L CB -0.743 40.944 42.059 -0.620 0.000 0.891 380 L HN 0.341 nan 8.230 nan 0.000 0.433 381 L N -0.514 120.487 121.223 -0.370 0.000 2.046 381 L HA -0.130 4.211 4.340 0.001 0.000 0.208 381 L C 1.972 178.739 176.870 -0.173 0.000 1.077 381 L CA 1.335 56.015 54.840 -0.267 0.000 0.747 381 L CB -0.829 41.114 42.059 -0.192 0.000 0.896 381 L HN 0.542 nan 8.230 nan 0.000 0.432 382 S N -1.947 113.696 115.700 -0.094 0.000 2.667 382 S HA 0.095 4.566 4.470 0.001 0.000 0.251 382 S C -0.312 174.458 174.600 0.284 0.000 1.075 382 S CA -0.785 57.448 58.200 0.054 0.000 1.130 382 S CB -0.449 62.778 63.200 0.044 0.000 0.795 382 S HN 0.166 nan 8.310 nan 0.000 0.462 383 W N 1.088 122.382 121.300 -0.010 0.000 2.594 383 W HA 0.637 5.297 4.660 0.001 0.000 0.365 383 W C 0.837 177.384 176.519 0.046 0.000 1.196 383 W CA -1.919 55.447 57.345 0.035 0.000 1.258 383 W CB 0.968 30.481 29.460 0.089 0.000 1.405 383 W HN 0.169 nan 8.180 nan 0.000 0.640 384 S N 0.901 116.741 115.700 0.233 0.000 2.573 384 S HA -0.017 4.453 4.470 0.001 0.000 0.277 384 S C 1.452 176.179 174.600 0.213 0.000 1.346 384 S CA -0.138 58.147 58.200 0.142 0.000 1.034 384 S CB 0.509 63.737 63.200 0.047 0.000 0.879 384 S HN 0.515 nan 8.310 nan 0.000 0.528 385 K N 3.124 123.623 120.400 0.165 0.000 2.113 385 K HA -0.163 4.157 4.320 0.001 0.000 0.208 385 K C 1.895 178.609 176.600 0.190 0.000 1.047 385 K CA 1.621 58.029 56.287 0.202 0.000 0.928 385 K CB -0.135 32.444 32.500 0.132 0.000 0.716 385 K HN 0.564 nan 8.250 nan 0.000 0.446 386 K N 0.259 120.730 120.400 0.118 0.000 1.965 386 K HA -0.162 4.159 4.320 0.001 0.000 0.218 386 K C 2.232 178.890 176.600 0.097 0.000 1.048 386 K CA 2.013 58.346 56.287 0.076 0.000 0.960 386 K CB -0.217 32.303 32.500 0.033 0.000 0.732 386 K HN 0.166 nan 8.250 nan 0.000 0.444 387 R N -0.212 120.344 120.500 0.094 0.000 2.117 387 R HA -0.224 4.117 4.340 0.001 0.000 0.243 387 R C 2.409 178.922 176.300 0.354 0.000 1.143 387 R CA 1.942 58.104 56.100 0.103 0.000 0.968 387 R CB -0.662 29.564 30.300 -0.124 0.000 0.863 387 R HN 0.423 nan 8.270 nan 0.000 0.444 388 Y N 2.054 122.540 120.300 0.311 0.000 2.089 388 Y HA -0.225 4.326 4.550 0.001 0.000 0.282 388 Y C 2.104 178.102 175.900 0.164 0.000 1.139 388 Y CA 1.622 59.892 58.100 0.284 0.000 1.123 388 Y CB -0.098 38.477 38.460 0.191 0.000 0.980 388 Y HN 0.019 nan 8.280 nan 0.000 0.493 389 E N 0.493 120.571 120.200 -0.204 0.000 2.171 389 E HA -0.276 4.075 4.350 0.001 0.000 0.197 389 E C 2.280 178.775 176.600 -0.175 0.000 0.997 389 E CA 0.821 57.037 56.400 -0.307 0.000 0.810 389 E CB -0.317 29.338 29.700 -0.075 0.000 0.738 389 E HN 0.658 nan 8.360 nan 0.000 0.467 390 A N 1.826 124.617 122.820 -0.048 0.000 1.845 390 A HA -0.252 4.068 4.320 0.001 0.000 0.215 390 A C 2.091 179.672 177.584 -0.004 0.000 1.195 390 A CA 1.837 53.869 52.037 -0.007 0.000 0.616 390 A CB -0.435 18.584 19.000 0.032 0.000 0.832 390 A HN 0.095 nan 8.150 nan 0.000 0.443 391 K N -0.778 119.654 120.400 0.053 0.000 2.097 391 K HA -0.129 4.192 4.320 0.001 0.000 0.205 391 K C 1.915 178.488 176.600 -0.045 0.000 1.050 391 K CA 1.329 57.649 56.287 0.055 0.000 0.938 391 K CB -0.295 32.308 32.500 0.172 0.000 0.718 391 K HN 0.318 nan 8.250 nan 0.000 0.442 392 L N 1.847 122.965 121.223 -0.176 0.000 1.971 392 L HA -0.240 4.101 4.340 0.001 0.000 0.215 392 L C 1.820 178.631 176.870 -0.098 0.000 1.072 392 L CA 1.976 56.686 54.840 -0.217 0.000 0.758 392 L CB -0.636 41.124 42.059 -0.498 0.000 0.889 392 L HN 0.062 nan 8.230 nan 0.000 0.433 393 K N 0.200 120.542 120.400 -0.096 0.000 2.032 393 K HA -0.230 4.091 4.320 0.001 0.000 0.209 393 K C 2.165 178.761 176.600 -0.008 0.000 1.048 393 K CA 1.708 57.967 56.287 -0.047 0.000 0.927 393 K CB -0.656 31.814 32.500 -0.049 0.000 0.712 393 K HN 0.436 nan 8.250 nan 0.000 0.441 394 K N 0.455 120.853 120.400 -0.004 0.000 2.173 394 K HA -0.185 4.135 4.320 0.001 0.000 0.207 394 K C 1.935 178.583 176.600 0.080 0.000 1.046 394 K CA 1.138 57.439 56.287 0.023 0.000 0.929 394 K CB 0.031 32.534 32.500 0.005 0.000 0.720 394 K HN -0.075 nan 8.250 nan 0.000 0.453 395 L N 0.130 121.401 121.223 0.079 0.000 2.130 395 L HA -0.074 4.266 4.340 0.001 0.000 0.200 395 L C 2.500 179.494 176.870 0.206 0.000 1.075 395 L CA 1.707 56.663 54.840 0.193 0.000 0.768 395 L CB -0.878 41.249 42.059 0.113 0.000 0.933 395 L HN 0.227 nan 8.230 nan 0.000 0.451 396 S N 0.178 115.933 115.700 0.092 0.000 2.374 396 S HA -0.315 4.156 4.470 0.001 0.000 0.227 396 S C 2.154 176.799 174.600 0.074 0.000 1.037 396 S CA 1.493 59.733 58.200 0.066 0.000 1.024 396 S CB -0.745 62.473 63.200 0.030 0.000 0.861 396 S HN 0.475 nan 8.310 nan 0.000 0.456 397 R N 0.691 121.223 120.500 0.054 0.000 2.081 397 R HA -0.140 4.201 4.340 0.001 0.000 0.235 397 R C 2.242 178.597 176.300 0.091 0.000 1.131 397 R CA 1.752 57.871 56.100 0.032 0.000 0.960 397 R CB -0.696 29.604 30.300 0.001 0.000 0.856 397 R HN 0.549 nan 8.270 nan 0.000 0.436 398 F N 1.282 121.211 119.950 -0.036 0.000 2.146 398 F HA 0.049 4.577 4.527 0.001 0.000 0.298 398 F C 2.051 177.713 175.800 -0.230 0.000 1.096 398 F CA 1.480 59.419 58.000 -0.101 0.000 1.275 398 F CB -0.495 38.451 39.000 -0.091 0.000 1.008 398 F HN 0.099 nan 8.300 nan 0.000 0.480 399 A N -0.667 121.750 122.820 -0.672 0.000 2.119 399 A HA -0.153 4.168 4.320 0.001 0.000 0.216 399 A C 2.119 179.552 177.584 -0.252 0.000 1.152 399 A CA 1.078 52.682 52.037 -0.721 0.000 0.708 399 A CB -1.475 17.366 19.000 -0.266 0.000 0.805 399 A HN 0.727 nan 8.150 nan 0.000 0.460 400 H N -0.230 118.724 119.070 -0.194 0.000 2.546 400 H HA -0.039 4.517 4.556 0.001 0.000 0.277 400 H C 0.041 175.385 175.328 0.027 0.000 1.004 400 H CA 1.177 57.200 56.048 -0.041 0.000 1.231 400 H CB -0.378 29.369 29.762 -0.024 0.000 1.382 400 H HN 0.622 nan 8.280 nan 0.000 0.580 401 H N 0.000 119.023 119.070 -0.079 0.000 2.539 401 H HA 0.000 4.557 4.556 0.001 0.000 0.296 401 H CA 0.000 56.001 56.048 -0.078 0.000 1.023 401 H CB 0.000 29.669 29.762 -0.154 0.000 1.292 401 H HN 0.000 nan 8.280 nan 0.000 0.496