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 2nv9_1_G DATA FIRST_RESID 1 DATA SEQUENCE MNSVVNNILX XHXXQTKSFY VSSPKIVEDL IDQWTILFPR VTPHYAVKCN DATA SEQUENCE NDEVLLKTMC DKNVNFDCAS SSEIKKVIQI GVSPSRIIFA HTMKTIDDLI DATA SEQUENCE FAKDQGVDIA TFDSSFELDK IHTYHPNCKM ILRIRCDDPN AAXQLGNKFG DATA SEQUENCE ANEDEIRHLL EYAKQLDIEV IGISFHVGSG SRNPEAYYRA IKSSKEAFNE DATA SEQUENCE AISVGHKPYI LDIGGGLHAD XXXXXLSTYM SDYINDAIKD FFPEDTVTIV DATA SEQUENCE AEPGRFFAEH YSVLATQVIG KRVRDGLYEY FFNESTYGGF SNVIFEKSVP DATA SEQUENCE TPQLLRDVPD DEEYVPSVLY GCTCDGVDVI NHNVALPELH IGDWVYFPSW DATA SEQUENCE GAYTNVLTTS FNGFGEYDVY YI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.183 176.300 -0.195 0.000 1.140 1 M CA 0.000 55.235 55.300 -0.109 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 N N 0.425 119.119 118.700 -0.010 0.000 2.106 2 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 2 N C 1.322 176.814 175.510 -0.030 0.000 1.029 2 N CA 2.352 55.428 53.050 0.044 0.000 0.848 2 N CB 0.167 38.720 38.487 0.109 0.000 1.007 2 N HN 0.751 nan 8.380 nan 0.000 0.423 3 S N -0.722 114.959 115.700 -0.032 0.000 2.368 3 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 3 S C 2.091 176.645 174.600 -0.077 0.000 1.029 3 S CA 0.971 59.145 58.200 -0.043 0.000 0.988 3 S CB -0.762 62.422 63.200 -0.027 0.000 0.838 3 S HN 0.068 nan 8.310 nan 0.000 0.462 4 V N 1.892 121.748 119.914 -0.096 0.000 2.287 4 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 4 V C 2.700 178.696 176.094 -0.162 0.000 1.053 4 V CA 1.881 64.110 62.300 -0.118 0.000 1.027 4 V CB -0.786 30.968 31.823 -0.114 0.000 0.646 4 V HN 0.483 nan 8.190 nan 0.000 0.447 5 V N 0.124 119.926 119.914 -0.188 0.000 2.379 5 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 5 V C 2.054 178.055 176.094 -0.156 0.000 1.044 5 V CA 2.321 64.515 62.300 -0.177 0.000 1.036 5 V CB -0.997 30.675 31.823 -0.251 0.000 0.664 5 V HN 0.595 nan 8.190 nan 0.000 0.453 6 N N 0.322 118.953 118.700 -0.115 0.000 2.223 6 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 6 N C 1.706 177.141 175.510 -0.125 0.000 1.016 6 N CA 1.476 54.468 53.050 -0.095 0.000 0.863 6 N CB -0.204 38.257 38.487 -0.044 0.000 0.983 6 N HN 0.585 nan 8.380 nan 0.000 0.429 7 N N 0.331 118.953 118.700 -0.130 0.000 2.142 7 N HA -0.036 4.704 4.740 -0.000 0.000 0.186 7 N C 1.549 176.948 175.510 -0.185 0.000 1.023 7 N CA 0.631 53.604 53.050 -0.127 0.000 0.852 7 N CB 0.045 38.470 38.487 -0.104 0.000 0.998 7 N HN 0.160 nan 8.380 nan 0.000 0.424 8 I N 1.592 121.995 120.570 -0.277 0.000 2.163 8 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 8 I C 1.108 176.948 176.117 -0.461 0.000 1.085 8 I CA 0.768 61.789 61.300 -0.465 0.000 1.347 8 I CB -0.275 37.276 38.000 -0.749 0.000 1.044 8 I HN 0.078 nan 8.210 nan 0.000 0.408 16 T N 1.721 116.477 114.554 0.337 0.000 3.087 16 T HA 0.298 4.648 4.350 -0.000 0.000 0.237 16 T C -0.163 174.799 174.700 0.436 0.000 0.990 16 T CA 0.243 62.560 62.100 0.362 0.000 1.160 16 T CB 0.211 69.214 68.868 0.225 0.000 0.923 16 T HN 0.351 nan 8.240 nan 0.000 0.442 17 K N 2.795 123.442 120.400 0.412 0.000 2.276 17 K HA 0.283 4.603 4.320 -0.000 0.000 0.259 17 K C 0.525 177.510 176.600 0.641 0.000 1.001 17 K CA -0.280 56.266 56.287 0.431 0.000 0.927 17 K CB 0.497 33.210 32.500 0.356 0.000 0.969 17 K HN 0.351 nan 8.250 nan 0.000 0.490 18 S N 1.370 117.379 115.700 0.515 0.000 2.576 18 S HA 0.240 4.710 4.470 -0.000 0.000 0.272 18 S C -0.234 174.686 174.600 0.533 0.000 1.352 18 S CA -0.501 57.997 58.200 0.497 0.000 1.021 18 S CB -0.088 63.273 63.200 0.269 0.000 0.887 18 S HN 0.487 nan 8.310 nan 0.000 0.542 19 F N -1.728 118.379 119.950 0.262 0.000 2.591 19 F HA 0.661 5.188 4.527 -0.000 0.000 0.309 19 F C -1.511 174.310 175.800 0.034 0.000 1.098 19 F CA -1.741 56.399 58.000 0.232 0.000 0.937 19 F CB 0.568 39.762 39.000 0.323 0.000 1.250 19 F HN 0.508 nan 8.300 nan 0.000 0.447 20 Y N 1.796 122.267 120.300 0.286 0.000 2.304 20 Y HA 0.553 5.103 4.550 -0.000 0.000 0.328 20 Y C -0.052 175.959 175.900 0.185 0.000 1.123 20 Y CA -0.934 57.242 58.100 0.127 0.000 1.218 20 Y CB 1.551 40.037 38.460 0.042 0.000 1.207 20 Y HN 0.495 nan 8.280 nan 0.000 0.495 21 V N 3.505 123.547 119.914 0.213 0.000 2.347 21 V HA 0.358 4.478 4.120 -0.000 0.000 0.280 21 V C -0.397 175.684 176.094 -0.022 0.000 1.021 21 V CA -0.554 61.816 62.300 0.116 0.000 0.847 21 V CB 1.023 32.879 31.823 0.055 0.000 0.990 21 V HN 0.788 nan 8.190 nan 0.000 0.444 22 S N 2.916 118.544 115.700 -0.119 0.000 2.482 22 S HA 0.552 5.022 4.470 -0.000 0.000 0.303 22 S C -0.097 174.397 174.600 -0.175 0.000 1.091 22 S CA -0.521 57.449 58.200 -0.382 0.000 1.057 22 S CB 1.793 64.609 63.200 -0.639 0.000 1.031 22 S HN 0.720 nan 8.310 nan 0.000 0.485 23 S N 2.999 118.580 115.700 -0.199 0.000 2.622 23 S HA 0.427 4.897 4.470 -0.000 0.000 0.283 23 S C -2.157 172.630 174.600 0.312 0.000 1.197 23 S CA -1.874 56.384 58.200 0.097 0.000 1.146 23 S CB 0.585 63.835 63.200 0.084 0.000 1.007 23 S HN 0.302 nan 8.310 nan 0.000 0.478 24 P HA -0.105 nan 4.420 nan 0.000 0.218 24 P C 1.500 178.902 177.300 0.170 0.000 1.148 24 P CA 0.733 64.013 63.100 0.299 0.000 0.822 24 P CB 0.225 32.029 31.700 0.174 0.000 0.784 25 K N -0.374 120.112 120.400 0.144 0.000 2.097 25 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 25 K C 1.895 178.563 176.600 0.113 0.000 1.050 25 K CA 0.978 57.326 56.287 0.102 0.000 0.938 25 K CB -0.688 31.861 32.500 0.083 0.000 0.718 25 K HN 0.070 nan 8.250 nan 0.000 0.442 26 I N 1.068 121.725 120.570 0.146 0.000 2.163 26 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 26 I C 2.434 178.654 176.117 0.172 0.000 1.085 26 I CA 0.998 62.390 61.300 0.154 0.000 1.347 26 I CB -1.244 36.868 38.000 0.186 0.000 1.044 26 I HN -0.121 nan 8.210 nan 0.000 0.408 27 V N 0.878 120.904 119.914 0.186 0.000 2.295 27 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 27 V C 2.446 178.589 176.094 0.083 0.000 1.049 27 V CA 1.658 64.036 62.300 0.129 0.000 1.024 27 V CB -0.756 31.057 31.823 -0.017 0.000 0.648 27 V HN 0.426 nan 8.190 nan 0.000 0.447 28 E N 0.114 120.343 120.200 0.050 0.000 2.070 28 E HA -0.282 4.068 4.350 -0.000 0.000 0.197 28 E C 1.981 178.633 176.600 0.087 0.000 1.004 28 E CA 1.702 58.124 56.400 0.036 0.000 0.805 28 E CB -0.289 29.429 29.700 0.029 0.000 0.744 28 E HN 0.606 nan 8.360 nan 0.000 0.451 29 D N 0.597 121.062 120.400 0.107 0.000 2.123 29 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 29 D C 2.007 178.420 176.300 0.187 0.000 0.992 29 D CA 0.855 54.929 54.000 0.123 0.000 0.833 29 D CB -0.198 40.662 40.800 0.100 0.000 0.954 29 D HN 0.150 nan 8.370 nan 0.000 0.455 30 L N 0.331 121.700 121.223 0.244 0.000 2.156 30 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 30 L C 2.127 179.384 176.870 0.644 0.000 1.095 30 L CA 0.242 55.322 54.840 0.401 0.000 0.770 30 L CB -0.158 42.137 42.059 0.394 0.000 0.914 30 L HN 0.044 nan 8.230 nan 0.000 0.439 31 I N -0.004 120.837 120.570 0.452 0.000 2.179 31 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 31 I C 2.139 178.452 176.117 0.328 0.000 1.088 31 I CA 1.479 62.977 61.300 0.330 0.000 1.357 31 I CB -1.202 36.785 38.000 -0.022 0.000 1.051 31 I HN 0.263 nan 8.210 nan 0.000 0.409 32 D N 0.561 121.098 120.400 0.229 0.000 2.117 32 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 32 D C 2.268 178.697 176.300 0.216 0.000 0.987 32 D CA 0.944 55.053 54.000 0.182 0.000 0.829 32 D CB -0.200 40.674 40.800 0.123 0.000 0.961 32 D HN 0.343 nan 8.370 nan 0.000 0.460 33 Q N -0.440 119.518 119.800 0.263 0.000 2.124 33 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 33 Q C 2.091 178.272 176.000 0.301 0.000 0.977 33 Q CA 0.589 56.543 55.803 0.251 0.000 0.850 33 Q CB -0.426 28.472 28.738 0.267 0.000 0.901 33 Q HN 0.544 nan 8.270 nan 0.000 0.429 34 W N 1.760 123.233 121.300 0.288 0.000 2.338 34 W HA -0.213 4.447 4.660 -0.000 0.000 0.304 34 W C 2.030 178.656 176.519 0.179 0.000 1.212 34 W CA 2.482 59.975 57.345 0.247 0.000 1.264 34 W CB -0.439 29.229 29.460 0.346 0.000 1.142 34 W HN 0.248 nan 8.180 nan 0.000 0.512 35 T N -0.261 114.511 114.554 0.365 0.000 2.951 35 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 35 T C 1.785 176.525 174.700 0.066 0.000 1.073 35 T CA 1.430 63.664 62.100 0.224 0.000 1.134 35 T CB -0.356 68.636 68.868 0.207 0.000 0.884 35 T HN -0.078 nan 8.240 nan 0.000 0.479 36 I N 1.058 121.653 120.570 0.042 0.000 2.133 36 I HA 0.034 4.204 4.170 -0.000 0.000 0.238 36 I C 2.446 178.473 176.117 -0.150 0.000 1.074 36 I CA 0.784 62.067 61.300 -0.029 0.000 1.342 36 I CB -1.519 36.480 38.000 -0.001 0.000 1.053 36 I HN 0.277 nan 8.210 nan 0.000 0.404 37 L N -0.593 120.476 121.223 -0.256 0.000 2.083 37 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 37 L C 0.699 177.037 176.870 -0.886 0.000 1.083 37 L CA 1.717 56.206 54.840 -0.585 0.000 0.752 37 L CB -0.458 41.167 42.059 -0.724 0.000 0.899 37 L HN 0.058 nan 8.230 nan 0.000 0.433 38 F N -1.295 118.353 119.950 -0.502 0.000 2.531 38 F HA 0.291 4.818 4.527 -0.000 0.000 0.333 38 F C -1.581 174.069 175.800 -0.249 0.000 1.292 38 F CA -1.533 56.163 58.000 -0.506 0.000 1.184 38 F CB 0.586 38.995 39.000 -0.986 0.000 1.426 38 F HN -0.088 nan 8.300 nan 0.000 0.559 39 P HA -0.117 nan 4.420 nan 0.000 0.219 39 P C 1.172 178.509 177.300 0.062 0.000 1.146 39 P CA 1.394 64.509 63.100 0.025 0.000 0.808 39 P CB 0.185 31.883 31.700 -0.003 0.000 0.779 40 R N -1.309 119.231 120.500 0.066 0.000 2.312 40 R HA 0.176 4.516 4.340 -0.000 0.000 0.205 40 R C -0.114 176.236 176.300 0.084 0.000 0.904 40 R CA 0.112 56.252 56.100 0.067 0.000 1.052 40 R CB 0.408 30.736 30.300 0.047 0.000 1.014 40 R HN 0.065 nan 8.270 nan 0.000 0.503 41 V N 1.884 121.873 119.914 0.125 0.000 2.347 41 V HA 0.171 4.291 4.120 -0.000 0.000 0.280 41 V C 0.139 176.413 176.094 0.299 0.000 1.021 41 V CA -0.524 61.864 62.300 0.148 0.000 0.847 41 V CB 1.583 33.421 31.823 0.025 0.000 0.990 41 V HN 0.031 nan 8.190 nan 0.000 0.444 42 T N 8.621 123.281 114.554 0.176 0.000 2.737 42 T HA 0.285 4.635 4.350 -0.000 0.000 0.296 42 T C -2.355 172.368 174.700 0.038 0.000 0.922 42 T CA -0.791 61.375 62.100 0.110 0.000 1.079 42 T CB 1.001 69.907 68.868 0.062 0.000 0.892 42 T HN 0.495 nan 8.240 nan 0.000 0.514 43 P HA 0.182 nan 4.420 nan 0.000 0.281 43 P C -0.688 176.382 177.300 -0.383 0.000 1.252 43 P CA -0.443 62.412 63.100 -0.408 0.000 0.778 43 P CB 0.615 31.782 31.700 -0.888 0.000 0.895 44 H N 2.753 121.658 119.070 -0.276 0.000 2.690 44 H HA 0.114 4.670 4.556 -0.000 0.000 0.280 44 H C -0.281 174.926 175.328 -0.202 0.000 1.138 44 H CA -0.531 55.374 56.048 -0.238 0.000 1.241 44 H CB 0.233 29.908 29.762 -0.145 0.000 1.394 44 H HN 0.499 nan 8.280 nan 0.000 0.489 45 Y N 2.388 122.474 120.300 -0.357 0.000 2.721 45 Y HA 0.071 4.621 4.550 -0.000 0.000 0.329 45 Y C 0.090 175.978 175.900 -0.020 0.000 1.211 45 Y CA -0.684 57.288 58.100 -0.213 0.000 1.512 45 Y CB 0.470 38.723 38.460 -0.344 0.000 1.249 45 Y HN 0.629 nan 8.280 nan 0.000 0.549 46 A N 7.386 129.764 122.820 -0.738 0.000 2.544 46 A HA 0.267 4.587 4.320 -0.000 0.000 0.301 46 A C 1.135 178.165 177.584 -0.924 0.000 1.368 46 A CA 0.106 51.792 52.037 -0.584 0.000 1.045 46 A CB -0.533 18.287 19.000 -0.301 0.000 1.129 46 A HN 1.269 nan 8.150 nan 0.000 0.540 47 V N 2.654 122.271 119.914 -0.496 0.000 2.594 47 V HA -0.274 3.846 4.120 -0.000 0.000 0.253 47 V C 2.059 178.057 176.094 -0.161 0.000 1.069 47 V CA 2.417 64.567 62.300 -0.250 0.000 1.082 47 V CB -0.786 31.065 31.823 0.046 0.000 0.680 47 V HN 0.935 nan 8.190 nan 0.000 0.469 48 K N -0.098 120.217 120.400 -0.143 0.000 2.280 48 K HA -0.163 4.157 4.320 -0.000 0.000 0.202 48 K C 2.179 178.728 176.600 -0.086 0.000 1.047 48 K CA 1.741 57.998 56.287 -0.051 0.000 0.942 48 K CB -1.322 31.186 32.500 0.013 0.000 0.739 48 K HN 0.531 nan 8.250 nan 0.000 0.457 49 C N 1.002 120.147 119.300 -0.259 0.000 2.435 49 C HA 0.066 4.526 4.460 -0.000 0.000 0.279 49 C C 0.184 174.964 174.990 -0.350 0.000 1.321 49 C CA 0.549 59.203 59.018 -0.608 0.000 1.752 49 C CB -1.089 26.269 27.740 -0.637 0.000 1.959 49 C HN 0.693 nan 8.230 nan 0.000 0.500 50 N N 0.297 118.948 118.700 -0.080 0.000 3.127 50 N HA 0.089 4.829 4.740 -0.000 0.000 0.239 50 N C -0.929 174.649 175.510 0.114 0.000 1.200 50 N CA 0.049 53.110 53.050 0.018 0.000 0.924 50 N CB 0.035 38.543 38.487 0.036 0.000 1.583 50 N HN 0.524 nan 8.380 nan 0.000 0.645 51 N N 1.435 120.176 118.700 0.068 0.000 2.251 51 N HA 0.085 4.825 4.740 -0.000 0.000 0.217 51 N C -0.271 175.279 175.510 0.067 0.000 1.124 51 N CA -0.352 52.743 53.050 0.075 0.000 0.843 51 N CB 0.017 38.529 38.487 0.042 0.000 1.024 51 N HN 0.533 nan 8.380 nan 0.000 0.501 52 D N 0.904 121.355 120.400 0.086 0.000 2.586 52 D HA -0.112 4.528 4.640 -0.000 0.000 0.234 52 D C 1.061 177.401 176.300 0.067 0.000 1.132 52 D CA 0.370 54.450 54.000 0.133 0.000 0.860 52 D CB 0.748 41.713 40.800 0.274 0.000 1.159 52 D HN 0.313 nan 8.370 nan 0.000 0.490 53 E N 2.313 122.551 120.200 0.062 0.000 2.058 53 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 53 E C 1.821 178.385 176.600 -0.059 0.000 0.997 53 E CA 1.018 57.413 56.400 -0.009 0.000 0.801 53 E CB 0.170 29.864 29.700 -0.009 0.000 0.746 53 E HN 0.497 nan 8.360 nan 0.000 0.450 54 V N 1.293 121.156 119.914 -0.084 0.000 2.392 54 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 54 V C 2.414 178.443 176.094 -0.109 0.000 1.059 54 V CA 1.577 63.777 62.300 -0.167 0.000 1.051 54 V CB -0.505 31.038 31.823 -0.466 0.000 0.658 54 V HN 0.344 nan 8.190 nan 0.000 0.455 55 L N -0.412 120.740 121.223 -0.118 0.000 2.056 55 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 55 L C 2.187 178.893 176.870 -0.273 0.000 1.078 55 L CA 1.828 56.432 54.840 -0.395 0.000 0.749 55 L CB -0.473 41.190 42.059 -0.660 0.000 0.901 55 L HN 0.194 nan 8.230 nan 0.000 0.433 56 L N -0.425 120.717 121.223 -0.134 0.000 2.046 56 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 56 L C 2.661 179.522 176.870 -0.015 0.000 1.077 56 L CA 1.848 56.670 54.840 -0.030 0.000 0.747 56 L CB -0.701 41.317 42.059 -0.069 0.000 0.896 56 L HN 0.339 nan 8.230 nan 0.000 0.432 57 K N -0.111 120.246 120.400 -0.071 0.000 2.057 57 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 57 K C 2.022 178.586 176.600 -0.060 0.000 1.049 57 K CA 1.841 58.091 56.287 -0.060 0.000 0.931 57 K CB -0.054 32.399 32.500 -0.078 0.000 0.714 57 K HN 0.179 nan 8.250 nan 0.000 0.440 58 T N 1.850 116.345 114.554 -0.098 0.000 2.665 58 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 58 T C 1.832 176.447 174.700 -0.141 0.000 1.035 58 T CA 1.925 63.957 62.100 -0.112 0.000 1.151 58 T CB -0.141 68.650 68.868 -0.130 0.000 0.862 58 T HN 0.275 nan 8.240 nan 0.000 0.438 59 M N 0.662 120.155 119.600 -0.179 0.000 2.086 59 M HA -0.067 4.413 4.480 -0.000 0.000 0.261 59 M C 2.922 179.145 176.300 -0.129 0.000 1.067 59 M CA 1.111 56.258 55.300 -0.255 0.000 1.116 59 M CB -1.259 31.147 32.600 -0.322 0.000 1.348 59 M HN 0.433 nan 8.290 nan 0.000 0.407 60 C N 2.064 121.423 119.300 0.100 0.000 2.393 60 C HA -0.214 4.246 4.460 -0.000 0.000 0.276 60 C C 2.195 177.186 174.990 0.002 0.000 1.215 60 C CA 1.821 60.921 59.018 0.136 0.000 1.743 60 C CB -1.043 26.768 27.740 0.118 0.000 2.044 60 C HN 0.521 nan 8.230 nan 0.000 0.464 61 D N 0.001 120.384 120.400 -0.029 0.000 2.269 61 D HA -0.035 4.605 4.640 -0.000 0.000 0.208 61 D C 1.795 178.061 176.300 -0.057 0.000 0.963 61 D CA 0.873 54.850 54.000 -0.039 0.000 0.864 61 D CB -0.372 40.405 40.800 -0.038 0.000 0.936 61 D HN 0.581 nan 8.370 nan 0.000 0.505 62 K N 0.547 120.891 120.400 -0.093 0.000 2.437 62 K HA 0.085 4.405 4.320 -0.000 0.000 0.198 62 K C -0.165 176.358 176.600 -0.127 0.000 1.024 62 K CA -0.198 56.025 56.287 -0.106 0.000 1.148 62 K CB -0.041 32.377 32.500 -0.138 0.000 0.860 62 K HN 0.096 nan 8.250 nan 0.000 0.515 63 N N -0.018 118.610 118.700 -0.119 0.000 2.714 63 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 63 N C -0.503 174.871 175.510 -0.227 0.000 1.117 63 N CA 0.441 53.414 53.050 -0.129 0.000 0.719 63 N CB -1.491 36.948 38.487 -0.079 0.000 1.081 63 N HN -0.063 nan 8.380 nan 0.000 0.557 64 V N 0.237 119.939 119.914 -0.353 0.000 2.811 64 V HA 0.155 4.275 4.120 -0.000 0.000 0.302 64 V C 0.979 176.632 176.094 -0.736 0.000 1.063 64 V CA -0.264 61.695 62.300 -0.568 0.000 1.088 64 V CB 1.066 32.443 31.823 -0.744 0.000 0.982 64 V HN 0.271 nan 8.190 nan 0.000 0.485 65 N N 1.620 119.820 118.700 -0.833 0.000 2.566 65 N HA 0.629 5.369 4.740 -0.000 0.000 0.299 65 N C -0.945 173.904 175.510 -1.101 0.000 1.277 65 N CA -0.352 52.171 53.050 -0.877 0.000 0.965 65 N CB 0.678 38.520 38.487 -1.076 0.000 1.142 65 N HN 0.460 nan 8.380 nan 0.000 0.596 66 F N -0.834 119.039 119.950 -0.128 0.000 2.578 66 F HA 0.233 4.760 4.527 -0.000 0.000 0.311 66 F C -0.278 175.610 175.800 0.146 0.000 1.094 66 F CA -1.018 57.000 58.000 0.030 0.000 0.923 66 F CB 1.664 40.667 39.000 0.006 0.000 1.230 66 F HN 0.207 nan 8.300 nan 0.000 0.450 67 D N 2.072 122.600 120.400 0.214 0.000 2.392 67 D HA 0.420 5.060 4.640 -0.000 0.000 0.228 67 D C -1.300 175.043 176.300 0.072 0.000 1.074 67 D CA -0.097 53.969 54.000 0.109 0.000 0.838 67 D CB 0.908 41.714 40.800 0.011 0.000 1.067 67 D HN 0.472 nan 8.370 nan 0.000 0.511 68 C N 3.292 122.633 119.300 0.068 0.000 2.355 68 C HA 0.787 5.247 4.460 -0.000 0.000 0.332 68 C C 1.415 176.436 174.990 0.052 0.000 1.255 68 C CA -0.481 58.532 59.018 -0.009 0.000 1.792 68 C CB 0.756 28.422 27.740 -0.123 0.000 2.300 68 C HN 0.809 nan 8.230 nan 0.000 0.515 69 A N 2.096 124.961 122.820 0.076 0.000 2.220 69 A HA 0.459 4.779 4.320 -0.000 0.000 0.211 69 A C 0.745 178.547 177.584 0.363 0.000 1.176 69 A CA 0.594 52.792 52.037 0.268 0.000 0.834 69 A CB -0.029 19.087 19.000 0.193 0.000 0.868 69 A HN 1.095 nan 8.150 nan 0.000 0.488 70 S N -2.389 113.351 115.700 0.067 0.000 2.611 70 S HA 0.384 4.854 4.470 -0.000 0.000 0.268 70 S C 0.781 175.256 174.600 -0.207 0.000 1.156 70 S CA 0.254 58.479 58.200 0.041 0.000 0.817 70 S CB 0.725 63.951 63.200 0.042 0.000 1.122 70 S HN 0.721 nan 8.310 nan 0.000 0.466 71 S N 1.041 116.654 115.700 -0.145 0.000 2.370 71 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 71 S C 2.045 176.454 174.600 -0.319 0.000 1.033 71 S CA 1.839 59.870 58.200 -0.281 0.000 1.011 71 S CB -1.235 61.686 63.200 -0.465 0.000 0.852 71 S HN 1.097 nan 8.310 nan 0.000 0.457 72 S N 1.722 117.280 115.700 -0.237 0.000 2.370 72 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 72 S C 1.948 176.476 174.600 -0.120 0.000 1.033 72 S CA 1.582 59.677 58.200 -0.175 0.000 1.011 72 S CB -0.644 62.487 63.200 -0.114 0.000 0.852 72 S HN 0.705 nan 8.310 nan 0.000 0.457 73 E N 0.280 120.416 120.200 -0.107 0.000 2.106 73 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 73 E C 2.095 178.629 176.600 -0.111 0.000 0.984 73 E CA 1.381 57.725 56.400 -0.093 0.000 0.806 73 E CB -0.268 29.388 29.700 -0.072 0.000 0.750 73 E HN 0.594 nan 8.360 nan 0.000 0.458 74 I N 1.368 121.864 120.570 -0.123 0.000 2.163 74 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 74 I C 2.333 178.451 176.117 0.001 0.000 1.085 74 I CA 1.304 62.564 61.300 -0.067 0.000 1.347 74 I CB -0.242 37.757 38.000 -0.001 0.000 1.044 74 I HN 0.029 nan 8.210 nan 0.000 0.408 75 K N 0.898 121.327 120.400 0.049 0.000 2.063 75 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 75 K C 2.127 178.705 176.600 -0.036 0.000 1.048 75 K CA 1.432 57.750 56.287 0.052 0.000 0.928 75 K CB -0.169 32.319 32.500 -0.021 0.000 0.713 75 K HN 0.302 nan 8.250 nan 0.000 0.442 76 K N 0.544 120.898 120.400 -0.076 0.000 2.032 76 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 76 K C 2.135 178.632 176.600 -0.172 0.000 1.048 76 K CA 1.453 57.678 56.287 -0.103 0.000 0.927 76 K CB -0.178 32.267 32.500 -0.092 0.000 0.712 76 K HN -0.036 nan 8.250 nan 0.000 0.441 77 V N 1.858 121.628 119.914 -0.240 0.000 2.307 77 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 77 V C 2.260 178.189 176.094 -0.275 0.000 1.045 77 V CA 1.332 63.386 62.300 -0.410 0.000 1.024 77 V CB -0.358 31.137 31.823 -0.546 0.000 0.651 77 V HN 0.266 nan 8.190 nan 0.000 0.449 78 I N 1.107 121.581 120.570 -0.160 0.000 2.264 78 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 78 I C 2.719 178.785 176.117 -0.086 0.000 1.111 78 I CA 2.057 63.296 61.300 -0.102 0.000 1.382 78 I CB -1.307 36.659 38.000 -0.055 0.000 1.060 78 I HN 0.610 nan 8.210 nan 0.000 0.418 79 Q N 1.602 121.355 119.800 -0.078 0.000 2.369 79 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 79 Q C 1.845 177.801 176.000 -0.074 0.000 0.963 79 Q CA 1.051 56.818 55.803 -0.060 0.000 0.894 79 Q CB -0.533 28.179 28.738 -0.044 0.000 0.965 79 Q HN 0.717 nan 8.270 nan 0.000 0.475 80 I N -3.615 116.890 120.570 -0.108 0.000 3.735 80 I HA 0.455 4.625 4.170 -0.000 0.000 0.310 80 I C 0.987 177.053 176.117 -0.086 0.000 1.270 80 I CA 0.468 61.707 61.300 -0.103 0.000 1.207 80 I CB -0.001 37.920 38.000 -0.131 0.000 1.013 80 I HN 0.244 nan 8.210 nan 0.000 0.452 81 G N 1.252 110.005 108.800 -0.078 0.000 2.176 81 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 81 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 81 G C 0.206 175.076 174.900 -0.051 0.000 0.979 81 G CA 0.077 45.144 45.100 -0.056 0.000 0.641 81 G HN 0.303 nan 8.290 nan 0.000 0.530 82 V N 1.538 121.406 119.914 -0.075 0.000 2.585 82 V HA 0.431 4.551 4.120 -0.000 0.000 0.296 82 V C 1.469 177.546 176.094 -0.028 0.000 1.035 82 V CA 0.691 62.965 62.300 -0.042 0.000 1.084 82 V CB 1.432 33.192 31.823 -0.105 0.000 0.953 82 V HN 0.650 nan 8.190 nan 0.000 0.483 83 S N 7.279 122.982 115.700 0.006 0.000 2.552 83 S HA 0.107 4.577 4.470 -0.000 0.000 0.289 83 S C -0.720 173.891 174.600 0.017 0.000 1.304 83 S CA -0.850 57.355 58.200 0.007 0.000 1.063 83 S CB 0.732 63.943 63.200 0.019 0.000 0.848 83 S HN 0.724 nan 8.310 nan 0.000 0.499 84 P HA -0.101 nan 4.420 nan 0.000 0.221 84 P C 1.292 178.621 177.300 0.049 0.000 1.145 84 P CA 1.106 64.210 63.100 0.007 0.000 0.795 84 P CB -0.305 31.382 31.700 -0.021 0.000 0.775 85 S N -0.537 115.194 115.700 0.052 0.000 2.474 85 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 85 S C 1.848 176.512 174.600 0.107 0.000 0.997 85 S CA 0.312 58.556 58.200 0.074 0.000 0.949 85 S CB -0.750 62.484 63.200 0.058 0.000 0.766 85 S HN 0.127 nan 8.310 nan 0.000 0.517 86 R N 0.263 120.831 120.500 0.113 0.000 2.310 86 R HA 0.392 4.732 4.340 -0.000 0.000 0.202 86 R C -0.295 176.149 176.300 0.239 0.000 0.933 86 R CA 0.147 56.332 56.100 0.143 0.000 1.054 86 R CB -0.046 30.333 30.300 0.132 0.000 0.985 86 R HN 0.476 nan 8.270 nan 0.000 0.489 87 I N 1.304 122.005 120.570 0.218 0.000 2.404 87 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 87 I C -0.132 176.100 176.117 0.192 0.000 0.992 87 I CA -0.699 60.739 61.300 0.230 0.000 1.149 87 I CB 2.020 40.091 38.000 0.117 0.000 1.315 87 I HN -0.195 nan 8.210 nan 0.000 0.446 88 I N 5.480 126.155 120.570 0.175 0.000 2.378 88 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 88 I C -0.564 175.654 176.117 0.168 0.000 0.992 88 I CA -0.579 60.767 61.300 0.077 0.000 1.154 88 I CB 1.714 39.627 38.000 -0.145 0.000 1.315 88 I HN 0.450 nan 8.210 nan 0.000 0.448 89 F N 6.831 126.803 119.950 0.035 0.000 2.605 89 F HA 0.356 4.883 4.527 -0.000 0.000 0.352 89 F C 0.909 176.733 175.800 0.039 0.000 1.236 89 F CA -1.441 56.594 58.000 0.060 0.000 1.267 89 F CB 0.045 39.097 39.000 0.086 0.000 1.632 89 F HN 0.489 nan 8.300 nan 0.000 0.639 90 A N 3.616 126.599 122.820 0.272 0.000 3.019 90 A HA 0.095 4.415 4.320 -0.000 0.000 0.262 90 A C -0.143 177.462 177.584 0.035 0.000 1.509 90 A CA -0.030 52.052 52.037 0.075 0.000 1.159 90 A CB -1.085 17.902 19.000 -0.021 0.000 1.042 90 A HN 0.591 nan 8.150 nan 0.000 0.641 91 H N 0.413 119.480 119.070 -0.004 0.000 2.539 91 H HA 0.278 4.834 4.556 -0.000 0.000 0.332 91 H C 1.249 176.475 175.328 -0.170 0.000 1.031 91 H CA 0.478 56.451 56.048 -0.125 0.000 1.206 91 H CB 1.636 31.397 29.762 -0.002 0.000 1.446 91 H HN 0.361 nan 8.280 nan 0.000 0.496 92 T N 1.354 115.973 114.554 0.109 0.000 3.035 92 T HA 0.031 4.381 4.350 -0.000 0.000 0.268 92 T C 0.796 175.623 174.700 0.212 0.000 1.109 92 T CA 0.298 62.483 62.100 0.142 0.000 1.119 92 T CB 0.082 69.030 68.868 0.132 0.000 0.900 92 T HN 0.265 nan 8.240 nan 0.000 0.503 93 M N 2.276 122.069 119.600 0.322 0.000 2.027 93 M HA 0.484 4.964 4.480 -0.000 0.000 0.329 93 M C -1.053 175.096 176.300 -0.252 0.000 0.971 93 M CA -0.488 54.866 55.300 0.090 0.000 0.933 93 M CB 1.189 33.939 32.600 0.250 0.000 1.392 93 M HN 0.142 nan 8.290 nan 0.000 0.394 94 K N 1.262 121.534 120.400 -0.213 0.000 2.292 94 K HA 0.474 4.794 4.320 -0.000 0.000 0.257 94 K C 0.344 176.864 176.600 -0.135 0.000 0.940 94 K CA -0.635 55.477 56.287 -0.291 0.000 0.811 94 K CB 1.791 33.962 32.500 -0.549 0.000 1.120 94 K HN 0.655 nan 8.250 nan 0.000 0.428 95 T N -0.347 114.156 114.554 -0.086 0.000 2.937 95 T HA 0.058 4.408 4.350 -0.000 0.000 0.316 95 T C 1.548 176.206 174.700 -0.070 0.000 1.079 95 T CA -0.204 61.860 62.100 -0.060 0.000 1.131 95 T CB 0.291 69.132 68.868 -0.044 0.000 1.000 95 T HN 0.509 nan 8.240 nan 0.000 0.549 96 I N 1.268 121.756 120.570 -0.136 0.000 2.151 96 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 96 I C 2.541 178.510 176.117 -0.247 0.000 1.080 96 I CA 2.194 63.308 61.300 -0.309 0.000 1.339 96 I CB -0.528 37.149 38.000 -0.538 0.000 1.039 96 I HN 0.875 nan 8.210 nan 0.000 0.409 97 D N 0.809 121.117 120.400 -0.152 0.000 2.123 97 D HA -0.241 4.399 4.640 -0.000 0.000 0.196 97 D C 1.703 178.027 176.300 0.041 0.000 0.992 97 D CA 1.627 55.588 54.000 -0.064 0.000 0.833 97 D CB 0.021 40.788 40.800 -0.056 0.000 0.954 97 D HN 0.232 nan 8.370 nan 0.000 0.455 98 D N -0.606 119.842 120.400 0.081 0.000 2.178 98 D HA -0.061 4.579 4.640 -0.000 0.000 0.202 98 D C 2.155 178.674 176.300 0.365 0.000 0.974 98 D CA 0.383 54.526 54.000 0.239 0.000 0.841 98 D CB -0.169 40.827 40.800 0.328 0.000 0.953 98 D HN 0.307 nan 8.370 nan 0.000 0.478 99 L N 0.303 121.658 121.223 0.221 0.000 2.046 99 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 99 L C 2.401 179.347 176.870 0.128 0.000 1.077 99 L CA 0.732 55.705 54.840 0.222 0.000 0.747 99 L CB -0.277 41.874 42.059 0.153 0.000 0.896 99 L HN 0.049 nan 8.230 nan 0.000 0.432 100 I N -0.912 119.706 120.570 0.079 0.000 2.163 100 I HA -0.363 3.807 4.170 -0.000 0.000 0.243 100 I C 2.511 178.651 176.117 0.039 0.000 1.085 100 I CA 1.574 62.898 61.300 0.040 0.000 1.347 100 I CB -0.371 37.648 38.000 0.030 0.000 1.044 100 I HN 0.162 nan 8.210 nan 0.000 0.408 101 F N 1.844 121.780 119.950 -0.024 0.000 2.095 101 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 101 F C 2.500 178.276 175.800 -0.041 0.000 1.104 101 F CA 1.537 59.519 58.000 -0.030 0.000 1.232 101 F CB -0.451 38.537 39.000 -0.020 0.000 0.987 101 F HN 0.015 nan 8.300 nan 0.000 0.475 102 A N 0.238 123.078 122.820 0.033 0.000 1.908 102 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 102 A C 2.332 179.768 177.584 -0.247 0.000 1.181 102 A CA 2.087 54.102 52.037 -0.035 0.000 0.627 102 A CB -0.969 18.252 19.000 0.368 0.000 0.818 102 A HN 0.509 nan 8.150 nan 0.000 0.445 103 K N -0.554 119.547 120.400 -0.498 0.000 2.057 103 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 103 K C 1.776 178.181 176.600 -0.326 0.000 1.049 103 K CA 1.835 57.677 56.287 -0.742 0.000 0.931 103 K CB -0.236 31.764 32.500 -0.834 0.000 0.714 103 K HN 0.426 nan 8.250 nan 0.000 0.440 104 D N 0.365 120.595 120.400 -0.283 0.000 2.117 104 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 104 D C 1.712 177.849 176.300 -0.272 0.000 0.987 104 D CA 1.283 55.142 54.000 -0.234 0.000 0.829 104 D CB 0.059 40.732 40.800 -0.211 0.000 0.961 104 D HN 0.196 nan 8.370 nan 0.000 0.460 105 Q N -0.578 118.973 119.800 -0.415 0.000 2.435 105 Q HA 0.135 4.475 4.340 -0.000 0.000 0.207 105 Q C 1.585 177.472 176.000 -0.190 0.000 0.956 105 Q CA 0.991 56.575 55.803 -0.366 0.000 0.917 105 Q CB 0.221 28.614 28.738 -0.575 0.000 0.997 105 Q HN 0.491 nan 8.270 nan 0.000 0.497 106 G N 0.379 109.101 108.800 -0.131 0.000 2.143 106 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.249 106 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.249 106 G C 0.120 175.039 174.900 0.032 0.000 0.981 106 G CA 0.239 45.322 45.100 -0.029 0.000 0.665 106 G HN 0.229 nan 8.290 nan 0.000 0.528 107 V N 1.366 121.298 119.914 0.031 0.000 2.381 107 V HA 0.316 4.436 4.120 -0.000 0.000 0.257 107 V C 0.358 176.622 176.094 0.283 0.000 1.057 107 V CA 0.504 62.876 62.300 0.120 0.000 1.013 107 V CB 1.087 32.955 31.823 0.075 0.000 1.069 107 V HN 0.263 nan 8.190 nan 0.000 0.484 108 D N 3.649 124.168 120.400 0.198 0.000 2.535 108 D HA 0.285 4.925 4.640 -0.000 0.000 0.229 108 D C -0.112 176.211 176.300 0.038 0.000 1.238 108 D CA 0.081 54.160 54.000 0.133 0.000 0.824 108 D CB 0.785 41.649 40.800 0.106 0.000 1.045 108 D HN 0.294 nan 8.370 nan 0.000 0.500 109 I N 1.231 121.850 120.570 0.082 0.000 2.466 109 I HA 0.700 4.870 4.170 -0.000 0.000 0.289 109 I C -0.126 176.043 176.117 0.087 0.000 1.026 109 I CA -1.015 60.311 61.300 0.043 0.000 1.078 109 I CB 1.374 39.387 38.000 0.021 0.000 1.249 109 I HN -0.196 nan 8.210 nan 0.000 0.429 110 A N 4.210 127.054 122.820 0.041 0.000 2.593 110 A HA 0.903 5.223 4.320 -0.000 0.000 0.290 110 A C -0.294 177.318 177.584 0.047 0.000 1.126 110 A CA -0.495 51.574 52.037 0.053 0.000 0.695 110 A CB 1.838 20.830 19.000 -0.013 0.000 1.290 110 A HN 0.693 nan 8.150 nan 0.000 0.414 111 T N -1.155 113.425 114.554 0.042 0.000 2.944 111 T HA 0.846 5.196 4.350 -0.000 0.000 0.284 111 T C -0.403 174.411 174.700 0.191 0.000 1.010 111 T CA -0.318 61.827 62.100 0.074 0.000 1.025 111 T CB 0.941 69.789 68.868 -0.034 0.000 1.079 111 T HN 1.676 nan 8.240 nan 0.000 0.516 112 F N -0.566 119.359 119.950 -0.042 0.000 2.686 112 F HA 0.690 5.217 4.527 -0.000 0.000 0.311 112 F C -1.124 174.689 175.800 0.021 0.000 1.128 112 F CA -1.079 56.919 58.000 -0.004 0.000 0.946 112 F CB 1.484 40.480 39.000 -0.006 0.000 1.336 112 F HN 0.617 nan 8.300 nan 0.000 0.457 113 D N -0.382 120.001 120.400 -0.029 0.000 2.615 113 D HA 0.302 4.942 4.640 -0.000 0.000 0.274 113 D C -0.719 175.630 176.300 0.082 0.000 1.512 113 D CA -0.075 53.861 54.000 -0.106 0.000 0.803 113 D CB 0.507 41.298 40.800 -0.016 0.000 1.182 113 D HN 0.554 nan 8.370 nan 0.000 0.473 114 S N -0.822 115.032 115.700 0.256 0.000 2.541 114 S HA 0.459 4.929 4.470 -0.000 0.000 0.271 114 S C 0.726 175.475 174.600 0.248 0.000 1.133 114 S CA 0.002 58.346 58.200 0.239 0.000 0.876 114 S CB 1.553 64.904 63.200 0.251 0.000 1.105 114 S HN 0.111 nan 8.310 nan 0.000 0.470 115 S N 2.520 118.256 115.700 0.060 0.000 2.387 115 S HA 0.005 4.475 4.470 -0.000 0.000 0.226 115 S C 1.434 175.975 174.600 -0.098 0.000 1.026 115 S CA 0.820 58.922 58.200 -0.163 0.000 0.972 115 S CB -0.673 62.133 63.200 -0.655 0.000 0.814 115 S HN 0.634 nan 8.310 nan 0.000 0.477 116 F N 2.238 122.222 119.950 0.057 0.000 2.216 116 F HA 0.097 4.624 4.527 0.000 0.000 0.300 116 F C 2.659 178.523 175.800 0.106 0.000 1.085 116 F CA 1.227 59.277 58.000 0.084 0.000 1.326 116 F CB -0.592 38.444 39.000 0.060 0.000 1.027 116 F HN 0.253 nan 8.300 nan 0.000 0.497 117 E N 0.680 121.045 120.200 0.274 0.000 2.047 117 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 117 E C 2.143 178.805 176.600 0.103 0.000 0.987 117 E CA 1.096 57.612 56.400 0.193 0.000 0.799 117 E CB -0.410 29.425 29.700 0.224 0.000 0.752 117 E HN 0.361 nan 8.360 nan 0.000 0.449 118 L N 0.774 122.029 121.223 0.053 0.000 2.079 118 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 118 L C 1.967 178.863 176.870 0.043 0.000 1.081 118 L CA 1.343 56.149 54.840 -0.057 0.000 0.752 118 L CB -0.505 41.509 42.059 -0.075 0.000 0.896 118 L HN 0.174 nan 8.230 nan 0.000 0.433 119 D N 0.332 120.816 120.400 0.140 0.000 2.123 119 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 119 D C 2.214 178.616 176.300 0.170 0.000 0.992 119 D CA 1.281 55.369 54.000 0.146 0.000 0.833 119 D CB -0.044 40.868 40.800 0.186 0.000 0.954 119 D HN 0.276 nan 8.370 nan 0.000 0.455 120 K N 0.034 120.557 120.400 0.204 0.000 2.057 120 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 120 K C 2.214 178.954 176.600 0.233 0.000 1.049 120 K CA 0.638 57.093 56.287 0.279 0.000 0.931 120 K CB -0.098 32.548 32.500 0.244 0.000 0.714 120 K HN 0.065 nan 8.250 nan 0.000 0.440 121 I N 0.110 120.752 120.570 0.121 0.000 2.179 121 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 121 I C 2.345 178.487 176.117 0.041 0.000 1.088 121 I CA 1.486 62.823 61.300 0.061 0.000 1.357 121 I CB -0.340 37.626 38.000 -0.058 0.000 1.051 121 I HN 0.217 nan 8.210 nan 0.000 0.409 122 H N 0.222 119.252 119.070 -0.065 0.000 2.319 122 H HA -0.183 4.373 4.556 -0.000 0.000 0.297 122 H C 2.166 177.426 175.328 -0.115 0.000 1.097 122 H CA 2.484 58.473 56.048 -0.099 0.000 1.285 122 H CB -0.155 29.531 29.762 -0.128 0.000 1.368 122 H HN 0.247 nan 8.280 nan 0.000 0.495 123 T N -1.023 113.436 114.554 -0.159 0.000 2.851 123 T HA -0.069 4.281 4.350 -0.000 0.000 0.262 123 T C 1.091 175.469 174.700 -0.537 0.000 1.043 123 T CA 1.476 63.314 62.100 -0.437 0.000 1.140 123 T CB -0.183 68.318 68.868 -0.612 0.000 0.872 123 T HN 0.389 nan 8.240 nan 0.000 0.446 124 Y N -0.894 119.420 120.300 0.023 0.000 2.483 124 Y HA 0.337 4.887 4.550 -0.000 0.000 0.258 124 Y C 1.107 177.064 175.900 0.096 0.000 1.083 124 Y CA -0.174 57.953 58.100 0.044 0.000 1.283 124 Y CB 0.556 39.050 38.460 0.056 0.000 1.178 124 Y HN 0.192 nan 8.280 nan 0.000 0.515 125 H N 0.598 119.719 119.070 0.085 0.000 2.806 125 H HA 0.275 4.831 4.556 -0.000 0.000 0.218 125 H C -2.435 172.886 175.328 -0.012 0.000 1.392 125 H CA -2.930 53.144 56.048 0.044 0.000 1.358 125 H CB 0.747 30.555 29.762 0.077 0.000 1.944 125 H HN -0.092 nan 8.280 nan 0.000 0.530 126 P HA -0.066 nan 4.420 nan 0.000 0.225 126 P C 0.192 177.446 177.300 -0.077 0.000 1.148 126 P CA 0.925 63.981 63.100 -0.073 0.000 0.779 126 P CB 0.396 32.006 31.700 -0.149 0.000 0.780 127 N N -1.422 117.250 118.700 -0.046 0.000 2.322 127 N HA 0.042 4.782 4.740 -0.000 0.000 0.194 127 N C 0.252 175.649 175.510 -0.188 0.000 1.126 127 N CA -0.236 52.773 53.050 -0.069 0.000 0.845 127 N CB -0.236 38.260 38.487 0.016 0.000 0.976 127 N HN 0.104 nan 8.380 nan 0.000 0.475 128 C N 2.550 121.591 119.300 -0.433 0.000 2.576 128 C HA 0.143 4.603 4.460 -0.000 0.000 0.401 128 C C 0.262 175.117 174.990 -0.225 0.000 1.314 128 C CA -0.984 57.724 59.018 -0.516 0.000 1.855 128 C CB -0.662 26.587 27.740 -0.819 0.000 2.537 128 C HN 0.274 nan 8.230 nan 0.000 0.578 129 K N 7.040 127.365 120.400 -0.124 0.000 2.368 129 K HA 0.280 4.600 4.320 -0.000 0.000 0.282 129 K C -0.183 176.375 176.600 -0.070 0.000 1.035 129 K CA 0.198 56.445 56.287 -0.067 0.000 0.973 129 K CB 0.641 33.137 32.500 -0.008 0.000 0.957 129 K HN 0.628 nan 8.250 nan 0.000 0.474 130 M N 3.554 123.112 119.600 -0.069 0.000 2.404 130 M HA 0.418 4.898 4.480 -0.000 0.000 0.338 130 M C -0.201 176.144 176.300 0.075 0.000 1.150 130 M CA -0.999 54.301 55.300 -0.000 0.000 1.016 130 M CB 1.199 33.719 32.600 -0.133 0.000 1.672 130 M HN 0.296 nan 8.290 nan 0.000 0.448 131 I N 3.725 124.372 120.570 0.128 0.000 2.362 131 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 131 I C -0.179 175.920 176.117 -0.031 0.000 0.994 131 I CA -0.723 60.587 61.300 0.016 0.000 1.158 131 I CB 1.367 39.321 38.000 -0.077 0.000 1.315 131 I HN 0.605 nan 8.210 nan 0.000 0.451 132 L N 6.963 128.086 121.223 -0.166 0.000 2.456 132 L HA 0.217 4.557 4.340 -0.000 0.000 0.277 132 L C 0.663 177.329 176.870 -0.339 0.000 1.124 132 L CA -0.173 54.325 54.840 -0.570 0.000 0.880 132 L CB 0.230 42.039 42.059 -0.416 0.000 1.192 132 L HN 0.627 nan 8.230 nan 0.000 0.463 133 R N 6.602 126.882 120.500 -0.367 0.000 2.216 133 R HA 0.371 4.711 4.340 -0.000 0.000 0.332 133 R C -0.328 175.900 176.300 -0.120 0.000 1.056 133 R CA -0.463 55.533 56.100 -0.174 0.000 0.901 133 R CB 0.469 30.690 30.300 -0.132 0.000 1.039 133 R HN 0.691 nan 8.270 nan 0.000 0.456 134 I N 0.876 121.429 120.570 -0.027 0.000 2.498 134 I HA 0.463 4.633 4.170 -0.000 0.000 0.301 134 I C -0.195 175.946 176.117 0.040 0.000 0.984 134 I CA -1.100 60.197 61.300 -0.005 0.000 1.204 134 I CB 1.558 39.560 38.000 0.003 0.000 1.362 134 I HN 0.542 nan 8.210 nan 0.000 0.471 135 R N 5.102 125.613 120.500 0.017 0.000 2.298 135 R HA 0.506 4.846 4.340 -0.000 0.000 0.310 135 R C -1.672 174.618 176.300 -0.016 0.000 1.068 135 R CA -0.188 55.925 56.100 0.022 0.000 0.957 135 R CB 0.592 30.901 30.300 0.015 0.000 1.003 135 R HN 0.898 nan 8.270 nan 0.000 0.454 136 C N 4.542 123.825 119.300 -0.028 0.000 3.027 136 C HA 0.290 4.750 4.460 -0.000 0.000 0.350 136 C C -1.288 173.648 174.990 -0.090 0.000 1.042 136 C CA -1.331 57.624 59.018 -0.106 0.000 1.350 136 C CB 0.776 28.359 27.740 -0.262 0.000 1.809 136 C HN 0.772 nan 8.230 nan 0.000 0.513 137 D N 1.476 121.843 120.400 -0.055 0.000 2.255 137 D HA 0.239 4.879 4.640 -0.000 0.000 0.249 137 D C -0.308 175.968 176.300 -0.040 0.000 1.078 137 D CA 0.169 54.150 54.000 -0.031 0.000 0.896 137 D CB 1.295 42.089 40.800 -0.011 0.000 1.194 137 D HN 0.560 nan 8.370 nan 0.000 0.429 138 D N 1.798 122.183 120.400 -0.025 0.000 2.339 138 D HA 0.115 4.755 4.640 -0.000 0.000 0.241 138 D C -1.590 174.726 176.300 0.026 0.000 1.183 138 D CA -2.012 51.990 54.000 0.003 0.000 0.859 138 D CB 1.260 42.073 40.800 0.022 0.000 1.067 138 D HN -0.042 nan 8.370 nan 0.000 0.484 139 P HA -0.101 nan 4.420 nan 0.000 0.223 139 P C 0.261 177.585 177.300 0.040 0.000 1.144 139 P CA 0.848 63.965 63.100 0.027 0.000 0.783 139 P CB 0.355 32.069 31.700 0.023 0.000 0.771 140 N N -1.000 117.735 118.700 0.058 0.000 2.204 140 N HA 0.190 4.930 4.740 -0.000 0.000 0.219 140 N C 0.208 175.774 175.510 0.094 0.000 1.151 140 N CA -0.170 52.923 53.050 0.072 0.000 0.867 140 N CB 0.822 39.357 38.487 0.079 0.000 1.043 140 N HN 0.053 nan 8.380 nan 0.000 0.516 141 A N 0.967 123.842 122.820 0.092 0.000 2.371 141 A HA 0.620 4.940 4.320 -0.000 0.000 0.257 141 A C 0.775 178.414 177.584 0.093 0.000 1.089 141 A CA -0.310 51.795 52.037 0.113 0.000 0.794 141 A CB 0.480 19.541 19.000 0.101 0.000 1.029 141 A HN 0.236 nan 8.150 nan 0.000 0.488 145 L N -0.573 120.633 121.223 -0.028 0.000 3.076 145 L HA 0.252 4.592 4.340 -0.000 0.000 0.271 145 L C 1.664 178.553 176.870 0.031 0.000 1.152 145 L CA 0.605 55.443 54.840 -0.003 0.000 0.996 145 L CB 0.521 42.551 42.059 -0.049 0.000 1.453 145 L HN 0.768 nan 8.230 nan 0.000 0.571 146 G N 0.562 109.368 108.800 0.010 0.000 2.408 146 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 146 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 146 G C 1.239 176.128 174.900 -0.019 0.000 1.150 146 G CA 0.627 45.734 45.100 0.012 0.000 0.776 146 G HN 0.210 nan 8.290 nan 0.000 0.542 147 N N 0.379 119.051 118.700 -0.047 0.000 2.166 147 N HA -0.074 4.666 4.740 -0.000 0.000 0.186 147 N C 1.988 177.416 175.510 -0.137 0.000 1.019 147 N CA 1.125 54.131 53.050 -0.073 0.000 0.856 147 N CB -0.192 38.253 38.487 -0.070 0.000 0.993 147 N HN 0.428 nan 8.380 nan 0.000 0.426 148 K N -1.286 118.978 120.400 -0.227 0.000 2.186 148 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 148 K C -0.462 175.739 176.600 -0.666 0.000 1.052 148 K CA 0.604 56.586 56.287 -0.510 0.000 0.965 148 K CB 0.283 32.353 32.500 -0.717 0.000 0.746 148 K HN -0.080 nan 8.250 nan 0.000 0.457 149 F N -0.233 119.693 119.950 -0.040 0.000 2.576 149 F HA 0.530 5.057 4.527 -0.000 0.000 0.313 149 F C 0.075 175.853 175.800 -0.037 0.000 1.078 149 F CA -0.489 57.486 58.000 -0.041 0.000 0.921 149 F CB 2.311 41.267 39.000 -0.072 0.000 1.232 149 F HN 0.174 nan 8.300 nan 0.000 0.459 150 G N 0.999 109.903 108.800 0.174 0.000 2.784 150 G HA2 0.464 4.424 3.960 -0.000 0.000 0.686 150 G HA3 0.464 4.424 3.960 -0.000 0.000 0.686 150 G C -1.082 173.829 174.900 0.018 0.000 1.156 150 G CA -0.794 44.343 45.100 0.062 0.000 0.757 150 G HN 1.120 nan 8.290 nan 0.000 0.642 151 A N 2.387 125.190 122.820 -0.029 0.000 2.440 151 A HA 0.619 4.939 4.320 -0.000 0.000 0.251 151 A C 0.831 178.408 177.584 -0.012 0.000 1.089 151 A CA -0.216 51.805 52.037 -0.027 0.000 0.779 151 A CB 0.202 19.162 19.000 -0.067 0.000 1.022 151 A HN 0.856 nan 8.150 nan 0.000 0.492 152 N N 0.936 119.635 118.700 -0.001 0.000 2.444 152 N HA -0.000 4.740 4.740 -0.000 0.000 0.255 152 N C 1.156 176.665 175.510 -0.002 0.000 1.255 152 N CA 0.100 53.149 53.050 -0.002 0.000 0.933 152 N CB 0.601 39.088 38.487 0.001 0.000 1.143 152 N HN 0.880 nan 8.380 nan 0.000 0.453 153 E N 0.553 120.750 120.200 -0.005 0.000 2.130 153 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 153 E C 0.475 177.080 176.600 0.009 0.000 0.998 153 E CA 1.499 57.898 56.400 -0.003 0.000 0.806 153 E CB 0.061 29.756 29.700 -0.009 0.000 0.738 153 E HN 0.614 nan 8.360 nan 0.000 0.459 154 D N -0.010 120.396 120.400 0.010 0.000 2.363 154 D HA -0.161 4.479 4.640 -0.000 0.000 0.226 154 D C 1.070 177.389 176.300 0.031 0.000 1.020 154 D CA 0.835 54.844 54.000 0.015 0.000 0.892 154 D CB -0.201 40.602 40.800 0.005 0.000 0.900 154 D HN 0.630 nan 8.370 nan 0.000 0.531 155 E N -0.084 120.140 120.200 0.041 0.000 2.526 155 E HA 0.150 4.500 4.350 -0.000 0.000 0.208 155 E C 1.849 178.501 176.600 0.086 0.000 0.997 155 E CA -0.320 56.128 56.400 0.079 0.000 0.961 155 E CB -0.189 29.556 29.700 0.076 0.000 1.030 155 E HN 0.157 nan 8.360 nan 0.000 0.483 156 I N 1.665 122.266 120.570 0.051 0.000 2.127 156 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 156 I C 2.809 178.968 176.117 0.069 0.000 1.075 156 I CA 1.621 62.944 61.300 0.038 0.000 1.334 156 I CB -0.205 37.807 38.000 0.020 0.000 1.040 156 I HN 0.095 nan 8.210 nan 0.000 0.405 157 R N 0.400 120.950 120.500 0.083 0.000 2.083 157 R HA -0.270 4.070 4.340 -0.000 0.000 0.237 157 R C 2.475 178.852 176.300 0.128 0.000 1.137 157 R CA 2.050 58.208 56.100 0.097 0.000 0.951 157 R CB -0.651 29.700 30.300 0.086 0.000 0.851 157 R HN 0.436 nan 8.270 nan 0.000 0.434 158 H N 0.039 119.143 119.070 0.056 0.000 2.321 158 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 158 H C 1.790 177.184 175.328 0.110 0.000 1.087 158 H CA 2.286 58.369 56.048 0.059 0.000 1.319 158 H CB -0.300 29.470 29.762 0.013 0.000 1.379 158 H HN 0.244 nan 8.280 nan 0.000 0.501 159 L N -0.312 120.872 121.223 -0.066 0.000 2.042 159 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 159 L C 2.589 179.544 176.870 0.143 0.000 1.076 159 L CA 1.275 56.127 54.840 0.020 0.000 0.749 159 L CB -0.422 41.724 42.059 0.144 0.000 0.893 159 L HN 0.331 nan 8.230 nan 0.000 0.432 160 L N -0.816 120.491 121.223 0.142 0.000 2.109 160 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 160 L C 2.486 179.503 176.870 0.245 0.000 1.086 160 L CA 1.138 56.099 54.840 0.203 0.000 0.760 160 L CB -0.402 41.762 42.059 0.174 0.000 0.910 160 L HN 0.257 nan 8.230 nan 0.000 0.437 161 E N -0.824 119.454 120.200 0.130 0.000 2.072 161 E HA -0.255 4.095 4.350 -0.000 0.000 0.191 161 E C 2.009 178.643 176.600 0.057 0.000 0.985 161 E CA 1.266 57.716 56.400 0.083 0.000 0.801 161 E CB -0.097 29.657 29.700 0.090 0.000 0.750 161 E HN 0.388 nan 8.360 nan 0.000 0.452 162 Y N 1.012 121.229 120.300 -0.139 0.000 2.200 162 Y HA -0.157 4.393 4.550 -0.000 0.000 0.290 162 Y C 2.157 177.978 175.900 -0.131 0.000 1.137 162 Y CA 1.180 59.169 58.100 -0.185 0.000 1.163 162 Y CB -0.376 37.877 38.460 -0.346 0.000 0.988 162 Y HN -0.004 nan 8.280 nan 0.000 0.518 163 A N 0.530 123.330 122.820 -0.034 0.000 1.883 163 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 163 A C 2.341 179.906 177.584 -0.031 0.000 1.186 163 A CA 1.941 53.921 52.037 -0.095 0.000 0.624 163 A CB -0.643 18.315 19.000 -0.070 0.000 0.822 163 A HN 0.354 nan 8.150 nan 0.000 0.444 164 K N -0.596 119.839 120.400 0.058 0.000 2.032 164 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 164 K C 2.272 178.796 176.600 -0.127 0.000 1.048 164 K CA 1.953 58.192 56.287 -0.080 0.000 0.927 164 K CB -0.321 32.074 32.500 -0.176 0.000 0.712 164 K HN 0.679 nan 8.250 nan 0.000 0.441 165 Q N 0.074 119.776 119.800 -0.163 0.000 2.170 165 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 165 Q C 1.821 177.660 176.000 -0.269 0.000 0.976 165 Q CA 0.886 56.568 55.803 -0.203 0.000 0.858 165 Q CB 0.060 28.661 28.738 -0.228 0.000 0.907 165 Q HN 0.280 nan 8.270 nan 0.000 0.433 166 L N 0.330 121.339 121.223 -0.357 0.000 2.612 166 L HA 0.022 4.362 4.340 -0.000 0.000 0.230 166 L C -0.026 176.791 176.870 -0.090 0.000 1.140 166 L CA -0.113 54.513 54.840 -0.357 0.000 0.896 166 L CB -0.001 41.751 42.059 -0.513 0.000 1.065 166 L HN 0.220 nan 8.230 nan 0.000 0.447 167 D N 0.946 121.298 120.400 -0.081 0.000 2.772 167 D HA -0.220 4.420 4.640 -0.000 0.000 0.233 167 D C -0.173 176.118 176.300 -0.014 0.000 1.143 167 D CA 0.662 54.644 54.000 -0.030 0.000 0.700 167 D CB -0.953 39.843 40.800 -0.007 0.000 1.076 167 D HN 0.264 nan 8.370 nan 0.000 0.430 168 I N 0.945 121.497 120.570 -0.029 0.000 2.336 168 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 168 I C 0.854 176.979 176.117 0.014 0.000 0.991 168 I CA -0.659 60.610 61.300 -0.052 0.000 1.227 168 I CB 1.417 39.329 38.000 -0.146 0.000 1.366 168 I HN 0.035 nan 8.210 nan 0.000 0.466 169 E N 6.494 126.695 120.200 0.002 0.000 2.180 169 E HA 0.232 4.582 4.350 -0.000 0.000 0.283 169 E C -1.206 175.366 176.600 -0.046 0.000 1.061 169 E CA -0.484 55.949 56.400 0.055 0.000 0.861 169 E CB 0.938 30.666 29.700 0.046 0.000 1.056 169 E HN 0.349 nan 8.360 nan 0.000 0.407 170 V N 7.690 127.513 119.914 -0.152 0.000 2.364 170 V HA 0.110 4.230 4.120 -0.000 0.000 0.272 170 V C 0.976 176.964 176.094 -0.176 0.000 1.036 170 V CA -0.146 61.989 62.300 -0.275 0.000 0.880 170 V CB 0.785 32.235 31.823 -0.622 0.000 0.991 170 V HN 0.716 nan 8.190 nan 0.000 0.460 171 I N 1.795 122.276 120.570 -0.148 0.000 4.018 171 I HA 0.744 4.914 4.170 -0.000 0.000 0.337 171 I C 0.763 176.666 176.117 -0.357 0.000 1.327 171 I CA 0.251 61.421 61.300 -0.216 0.000 1.100 171 I CB 0.392 38.250 38.000 -0.237 0.000 1.025 171 I HN 0.628 nan 8.210 nan 0.000 0.396 172 G N 1.057 109.708 108.800 -0.249 0.000 2.342 172 G HA2 0.565 4.525 3.960 -0.000 0.000 0.297 172 G HA3 0.565 4.525 3.960 -0.000 0.000 0.297 172 G C -2.086 172.760 174.900 -0.091 0.000 1.313 172 G CA -0.635 44.361 45.100 -0.175 0.000 0.830 172 G HN 0.007 nan 8.290 nan 0.000 0.506 173 I N 1.037 121.609 120.570 0.002 0.000 2.533 173 I HA 0.640 4.810 4.170 -0.000 0.000 0.290 173 I C 0.343 176.434 176.117 -0.043 0.000 1.056 173 I CA -0.625 60.685 61.300 0.016 0.000 1.057 173 I CB 2.234 40.330 38.000 0.160 0.000 1.240 173 I HN 0.759 nan 8.210 nan 0.000 0.423 174 S N 5.145 120.796 115.700 -0.081 0.000 2.638 174 S HA 0.953 5.423 4.470 -0.000 0.000 0.302 174 S C -0.801 173.778 174.600 -0.034 0.000 1.096 174 S CA -0.565 57.533 58.200 -0.170 0.000 0.953 174 S CB 2.067 65.142 63.200 -0.208 0.000 1.107 174 S HN 0.492 nan 8.310 nan 0.000 0.503 175 F N -1.580 118.320 119.950 -0.084 0.000 2.711 175 F HA 0.730 5.257 4.527 -0.000 0.000 0.313 175 F C -1.156 174.622 175.800 -0.037 0.000 1.141 175 F CA -0.940 57.023 58.000 -0.061 0.000 0.941 175 F CB 1.167 40.124 39.000 -0.072 0.000 1.349 175 F HN 0.818 nan 8.300 nan 0.000 0.464 176 H N 1.640 120.801 119.070 0.152 0.000 2.840 176 H HA 0.410 4.966 4.556 -0.000 0.000 0.340 176 H C 0.216 175.612 175.328 0.114 0.000 1.004 176 H CA -0.469 55.626 56.048 0.078 0.000 1.288 176 H CB 2.388 32.131 29.762 -0.033 0.000 1.607 176 H HN 0.779 nan 8.280 nan 0.000 0.522 177 V N 2.305 122.395 119.914 0.293 0.000 3.041 177 V HA 0.369 4.489 4.120 -0.000 0.000 0.260 177 V C 0.807 176.976 176.094 0.125 0.000 1.105 177 V CA 1.044 63.381 62.300 0.062 0.000 1.125 177 V CB -0.582 31.074 31.823 -0.278 0.000 0.730 177 V HN 0.949 nan 8.190 nan 0.000 0.479 178 G N -0.658 108.326 108.800 0.307 0.000 2.379 178 G HA2 0.159 4.119 3.960 -0.000 0.000 0.609 178 G HA3 0.159 4.119 3.960 -0.000 0.000 0.609 178 G C -0.677 174.355 174.900 0.220 0.000 1.484 178 G CA -0.180 44.989 45.100 0.115 0.000 0.921 178 G HN 0.631 nan 8.290 nan 0.000 0.658 179 S N -0.139 115.596 115.700 0.057 0.000 2.528 179 S HA 0.588 5.058 4.470 -0.000 0.000 0.277 179 S C 1.358 176.011 174.600 0.088 0.000 1.297 179 S CA 1.586 59.850 58.200 0.106 0.000 1.052 179 S CB 0.557 63.702 63.200 -0.091 0.000 0.917 179 S HN 2.589 nan 8.310 nan 0.000 0.492 180 G N 3.145 111.988 108.800 0.071 0.000 2.291 180 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.271 180 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.271 180 G C -0.062 175.023 174.900 0.308 0.000 1.099 180 G CA 0.275 45.451 45.100 0.127 0.000 0.919 180 G HN 0.956 nan 8.290 nan 0.000 0.496 181 S N -0.664 115.216 115.700 0.300 0.000 2.525 181 S HA 0.727 5.197 4.470 -0.000 0.000 0.278 181 S C 1.128 175.978 174.600 0.418 0.000 1.234 181 S CA -0.550 57.859 58.200 0.349 0.000 1.058 181 S CB 0.678 64.110 63.200 0.387 0.000 0.983 181 S HN 0.468 nan 8.310 nan 0.000 0.495 182 R N 2.772 123.490 120.500 0.363 0.000 2.642 182 R HA 0.210 4.550 4.340 -0.000 0.000 0.435 182 R C -0.671 175.854 176.300 0.374 0.000 1.046 182 R CA -0.330 56.004 56.100 0.390 0.000 1.103 182 R CB 0.116 30.626 30.300 0.351 0.000 1.425 182 R HN 0.475 nan 8.270 nan 0.000 0.586 183 N N 2.054 120.961 118.700 0.344 0.000 2.558 183 N HA 0.163 4.903 4.740 -0.000 0.000 0.242 183 N C -1.718 174.018 175.510 0.376 0.000 0.979 183 N CA -2.334 50.890 53.050 0.290 0.000 0.931 183 N CB 1.460 40.069 38.487 0.202 0.000 1.122 183 N HN -0.091 nan 8.380 nan 0.000 0.508 184 P HA -0.104 nan 4.420 nan 0.000 0.219 184 P C 0.786 178.439 177.300 0.589 0.000 1.150 184 P CA 0.933 64.305 63.100 0.452 0.000 0.814 184 P CB 0.660 32.533 31.700 0.288 0.000 0.787 185 E N 0.344 120.791 120.200 0.411 0.000 2.204 185 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 185 E C 2.151 178.937 176.600 0.310 0.000 0.989 185 E CA 1.066 57.719 56.400 0.421 0.000 0.824 185 E CB -0.875 28.969 29.700 0.240 0.000 0.756 185 E HN 0.104 nan 8.360 nan 0.000 0.477 186 A N -0.314 122.638 122.820 0.220 0.000 1.908 186 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 186 A C 1.873 179.440 177.584 -0.028 0.000 1.181 186 A CA 1.607 53.677 52.037 0.055 0.000 0.627 186 A CB -0.915 18.080 19.000 -0.009 0.000 0.818 186 A HN 0.433 nan 8.150 nan 0.000 0.445 187 Y N -2.518 117.866 120.300 0.140 0.000 2.200 187 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 187 Y C 2.321 178.261 175.900 0.068 0.000 1.137 187 Y CA 1.687 59.855 58.100 0.114 0.000 1.163 187 Y CB -0.627 37.959 38.460 0.210 0.000 0.988 187 Y HN 0.473 nan 8.280 nan 0.000 0.518 188 Y N 0.937 121.361 120.300 0.206 0.000 2.097 188 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 188 Y C 2.466 178.377 175.900 0.017 0.000 1.152 188 Y CA 1.738 59.896 58.100 0.096 0.000 1.136 188 Y CB -0.225 38.270 38.460 0.058 0.000 0.975 188 Y HN -0.073 nan 8.280 nan 0.000 0.498 189 R N -0.125 120.505 120.500 0.217 0.000 2.091 189 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 189 R C 2.502 178.661 176.300 -0.234 0.000 1.136 189 R CA 1.221 57.331 56.100 0.016 0.000 0.959 189 R CB -0.694 29.627 30.300 0.035 0.000 0.856 189 R HN 0.448 nan 8.270 nan 0.000 0.437 190 A N 1.267 123.854 122.820 -0.389 0.000 1.877 190 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 190 A C 2.179 179.362 177.584 -0.670 0.000 1.186 190 A CA 1.328 52.873 52.037 -0.820 0.000 0.620 190 A CB -0.516 17.447 19.000 -1.728 0.000 0.822 190 A HN 0.190 nan 8.150 nan 0.000 0.443 191 I N -0.527 119.813 120.570 -0.384 0.000 2.208 191 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 191 I C 2.542 178.498 176.117 -0.269 0.000 1.097 191 I CA 1.874 63.130 61.300 -0.073 0.000 1.363 191 I CB -0.247 37.807 38.000 0.091 0.000 1.051 191 I HN 0.369 nan 8.210 nan 0.000 0.413 192 K N 0.771 120.747 120.400 -0.707 0.000 2.032 192 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 192 K C 2.261 178.532 176.600 -0.549 0.000 1.048 192 K CA 1.950 57.529 56.287 -1.180 0.000 0.927 192 K CB -0.035 31.862 32.500 -1.005 0.000 0.712 192 K HN 0.164 nan 8.250 nan 0.000 0.441 193 S N 0.372 115.869 115.700 -0.338 0.000 2.419 193 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 193 S C 1.911 176.462 174.600 -0.080 0.000 1.016 193 S CA 1.218 59.304 58.200 -0.190 0.000 0.974 193 S CB -0.079 63.017 63.200 -0.174 0.000 0.786 193 S HN 0.301 nan 8.310 nan 0.000 0.492 194 S N 1.350 117.036 115.700 -0.022 0.000 2.368 194 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 194 S C 1.918 176.699 174.600 0.301 0.000 1.029 194 S CA 1.343 59.655 58.200 0.186 0.000 0.988 194 S CB -0.234 63.145 63.200 0.297 0.000 0.838 194 S HN 0.396 nan 8.310 nan 0.000 0.462 195 K N 1.748 122.242 120.400 0.156 0.000 2.057 195 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 195 K C 1.788 178.393 176.600 0.008 0.000 1.049 195 K CA 1.510 57.739 56.287 -0.097 0.000 0.931 195 K CB -0.364 31.832 32.500 -0.508 0.000 0.714 195 K HN 0.371 nan 8.250 nan 0.000 0.440 196 E N -0.392 119.787 120.200 -0.034 0.000 2.085 196 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 196 E C 1.916 178.557 176.600 0.069 0.000 0.994 196 E CA 1.366 57.767 56.400 0.001 0.000 0.801 196 E CB -0.226 29.450 29.700 -0.041 0.000 0.743 196 E HN 0.458 nan 8.360 nan 0.000 0.453 197 A N 0.447 123.326 122.820 0.098 0.000 1.930 197 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 197 A C 1.939 179.617 177.584 0.157 0.000 1.175 197 A CA 0.805 52.906 52.037 0.105 0.000 0.627 197 A CB -0.654 18.397 19.000 0.085 0.000 0.815 197 A HN 0.272 nan 8.150 nan 0.000 0.443 198 F N 1.385 121.381 119.950 0.077 0.000 2.095 198 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 198 F C 2.110 177.951 175.800 0.070 0.000 1.104 198 F CA 2.117 60.180 58.000 0.106 0.000 1.232 198 F CB -0.092 39.015 39.000 0.179 0.000 0.987 198 F HN 0.230 nan 8.300 nan 0.000 0.475 199 N N 0.205 119.069 118.700 0.273 0.000 2.244 199 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 199 N C 1.762 177.329 175.510 0.093 0.000 1.016 199 N CA 1.099 54.242 53.050 0.155 0.000 0.866 199 N CB -0.466 38.083 38.487 0.103 0.000 0.980 199 N HN 0.367 nan 8.380 nan 0.000 0.430 200 E N 0.919 121.169 120.200 0.084 0.000 2.110 200 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 200 E C 1.839 178.484 176.600 0.076 0.000 0.988 200 E CA 0.751 57.192 56.400 0.068 0.000 0.804 200 E CB -0.139 29.598 29.700 0.062 0.000 0.745 200 E HN 0.322 nan 8.360 nan 0.000 0.458 201 A N 1.322 124.180 122.820 0.063 0.000 1.902 201 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 201 A C 2.298 179.943 177.584 0.102 0.000 1.181 201 A CA 1.069 53.163 52.037 0.095 0.000 0.623 201 A CB -0.649 18.319 19.000 -0.055 0.000 0.818 201 A HN 0.157 nan 8.150 nan 0.000 0.443 202 I N -0.578 120.013 120.570 0.034 0.000 2.127 202 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 202 I C 2.894 179.032 176.117 0.035 0.000 1.075 202 I CA 1.674 62.996 61.300 0.037 0.000 1.334 202 I CB -0.347 37.689 38.000 0.059 0.000 1.040 202 I HN 0.455 nan 8.210 nan 0.000 0.405 203 S N 0.538 116.263 115.700 0.042 0.000 2.359 203 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 203 S C 2.063 176.671 174.600 0.013 0.000 1.035 203 S CA 1.661 59.878 58.200 0.030 0.000 1.018 203 S CB -0.359 62.863 63.200 0.036 0.000 0.876 203 S HN 0.246 nan 8.310 nan 0.000 0.448 204 V N 0.693 120.621 119.914 0.024 0.000 2.720 204 V HA 0.107 4.227 4.120 -0.000 0.000 0.256 204 V C 2.010 178.038 176.094 -0.111 0.000 1.082 204 V CA 1.414 63.707 62.300 -0.010 0.000 1.101 204 V CB -0.814 31.047 31.823 0.063 0.000 0.693 204 V HN 0.846 nan 8.190 nan 0.000 0.479 205 G N -2.203 106.533 108.800 -0.105 0.000 2.205 205 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.180 205 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.180 205 G C 0.106 174.894 174.900 -0.188 0.000 1.004 205 G CA -0.164 44.848 45.100 -0.148 0.000 0.670 205 G HN 0.517 nan 8.290 nan 0.000 0.496 206 H N 0.545 119.600 119.070 -0.025 0.000 2.660 206 H HA 0.416 4.972 4.556 -0.000 0.000 0.374 206 H C 0.157 175.463 175.328 -0.036 0.000 1.291 206 H CA 0.286 56.314 56.048 -0.034 0.000 1.437 206 H CB 0.697 30.428 29.762 -0.051 0.000 1.509 206 H HN -0.014 nan 8.280 nan 0.000 0.614 207 K N 2.425 122.899 120.400 0.124 0.000 2.682 207 K HA 0.251 4.571 4.320 -0.000 0.000 0.189 207 K C -2.529 174.121 176.600 0.084 0.000 1.062 207 K CA -1.725 54.611 56.287 0.081 0.000 0.997 207 K CB 1.006 33.557 32.500 0.086 0.000 1.405 207 K HN 0.468 nan 8.250 nan 0.000 0.588 208 P HA 0.069 nan 4.420 nan 0.000 0.272 208 P C -0.217 177.082 177.300 -0.002 0.000 1.223 208 P CA -0.069 62.859 63.100 -0.287 0.000 0.784 208 P CB 0.382 31.552 31.700 -0.882 0.000 0.923 209 Y N -0.788 119.558 120.300 0.077 0.000 2.729 209 Y HA 0.530 5.080 4.550 -0.000 0.000 0.266 209 Y C -0.085 175.989 175.900 0.290 0.000 1.064 209 Y CA -0.596 57.679 58.100 0.291 0.000 1.251 209 Y CB -0.122 38.432 38.460 0.156 0.000 1.379 209 Y HN -0.024 nan 8.280 nan 0.000 0.569 210 I N 2.933 123.444 120.570 -0.097 0.000 2.378 210 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 210 I C -1.298 174.821 176.117 0.003 0.000 0.992 210 I CA -1.218 60.011 61.300 -0.117 0.000 1.154 210 I CB 2.212 40.011 38.000 -0.335 0.000 1.315 210 I HN 0.155 nan 8.210 nan 0.000 0.448 211 L N 6.757 127.876 121.223 -0.174 0.000 2.296 211 L HA 0.521 4.861 4.340 -0.000 0.000 0.286 211 L C -0.830 175.863 176.870 -0.295 0.000 1.023 211 L CA 0.122 54.755 54.840 -0.345 0.000 0.812 211 L CB 1.226 42.751 42.059 -0.890 0.000 1.223 211 L HN 0.441 nan 8.230 nan 0.000 0.421 212 D N 4.796 125.019 120.400 -0.295 0.000 2.440 212 D HA 0.214 4.854 4.640 -0.000 0.000 0.239 212 D C 0.760 176.708 176.300 -0.587 0.000 1.084 212 D CA -0.351 53.438 54.000 -0.351 0.000 0.843 212 D CB 1.047 41.665 40.800 -0.304 0.000 1.097 212 D HN 0.661 nan 8.370 nan 0.000 0.531 213 I N 1.155 121.377 120.570 -0.581 0.000 3.735 213 I HA 0.384 4.554 4.170 -0.000 0.000 0.310 213 I C 1.069 176.688 176.117 -0.831 0.000 1.270 213 I CA -0.077 60.697 61.300 -0.877 0.000 1.207 213 I CB -0.337 37.504 38.000 -0.265 0.000 1.013 213 I HN 0.435 nan 8.210 nan 0.000 0.452 214 G N 1.109 109.534 108.800 -0.625 0.000 2.569 214 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.259 214 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.259 214 G C 0.100 174.733 174.900 -0.444 0.000 1.263 214 G CA -0.262 44.524 45.100 -0.523 0.000 0.928 214 G HN 0.801 nan 8.290 nan 0.000 0.572 215 G N -3.178 105.156 108.800 -0.776 0.000 3.135 215 G HA2 0.726 4.686 3.960 -0.000 0.000 0.159 215 G HA3 0.726 4.686 3.960 -0.000 0.000 0.159 215 G C 1.394 176.153 174.900 -0.235 0.000 1.244 215 G CA 1.219 46.084 45.100 -0.392 0.000 0.965 215 G HN 2.579 nan 8.290 nan 0.000 0.599 216 G N -1.599 107.252 108.800 0.085 0.000 2.254 216 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 216 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 216 G C 0.439 175.448 174.900 0.181 0.000 1.003 216 G CA 0.253 45.505 45.100 0.254 0.000 0.622 216 G HN 0.626 nan 8.290 nan 0.000 0.507 217 L N 1.395 122.708 121.223 0.150 0.000 2.397 217 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 217 L C 0.786 177.742 176.870 0.143 0.000 1.148 217 L CA -0.732 54.197 54.840 0.148 0.000 0.825 217 L CB 0.565 42.684 42.059 0.100 0.000 1.117 217 L HN 0.225 nan 8.230 nan 0.000 0.456 218 H N 0.833 120.051 119.070 0.246 0.000 2.472 218 H HA 0.396 4.952 4.556 -0.000 0.000 0.335 218 H C 0.033 175.490 175.328 0.216 0.000 1.136 218 H CA -0.465 55.702 56.048 0.198 0.000 1.264 218 H CB 1.446 31.301 29.762 0.154 0.000 1.486 218 H HN 0.696 nan 8.280 nan 0.000 0.517 219 A N 3.561 126.421 122.820 0.066 0.000 2.922 219 A HA 0.120 4.440 4.320 -0.000 0.000 0.298 219 A C -0.231 177.451 177.584 0.162 0.000 1.588 219 A CA -0.571 51.340 52.037 -0.210 0.000 1.288 219 A CB -0.713 17.874 19.000 -0.688 0.000 1.130 219 A HN 0.649 nan 8.150 nan 0.000 0.557 227 S N 0.193 115.949 115.700 0.093 0.000 2.564 227 S HA 0.293 4.763 4.470 -0.000 0.000 0.278 227 S C 0.895 175.537 174.600 0.069 0.000 1.333 227 S CA 0.496 58.770 58.200 0.125 0.000 1.048 227 S CB 0.912 64.252 63.200 0.234 0.000 0.900 227 S HN 0.746 nan 8.310 nan 0.000 0.505 228 T N 1.941 116.529 114.554 0.056 0.000 3.084 228 T HA 0.121 4.471 4.350 -0.000 0.000 0.270 228 T C 1.235 175.911 174.700 -0.040 0.000 1.008 228 T CA 0.147 62.215 62.100 -0.052 0.000 0.900 228 T CB -0.509 68.318 68.868 -0.067 0.000 1.084 228 T HN 0.800 nan 8.240 nan 0.000 0.538 229 Y N 1.533 121.824 120.300 -0.015 0.000 2.163 229 Y HA 0.082 4.632 4.550 -0.000 0.000 0.288 229 Y C 2.183 178.101 175.900 0.029 0.000 1.136 229 Y CA 0.748 58.848 58.100 0.000 0.000 1.147 229 Y CB -0.701 37.758 38.460 -0.002 0.000 0.987 229 Y HN 0.019 nan 8.280 nan 0.000 0.509 230 M N 1.483 120.533 119.600 -0.917 0.000 2.065 230 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 230 M C 2.567 178.735 176.300 -0.220 0.000 1.069 230 M CA 2.205 57.184 55.300 -0.535 0.000 1.110 230 M CB -1.785 30.473 32.600 -0.570 0.000 1.328 230 M HN 0.646 nan 8.290 nan 0.000 0.405 231 S N 0.128 115.641 115.700 -0.312 0.000 2.370 231 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 231 S C 1.619 176.049 174.600 -0.283 0.000 1.033 231 S CA 1.541 59.431 58.200 -0.517 0.000 1.011 231 S CB -0.663 61.845 63.200 -1.153 0.000 0.852 231 S HN 0.363 nan 8.310 nan 0.000 0.457 232 D N 0.346 120.652 120.400 -0.156 0.000 2.116 232 D HA -0.102 4.538 4.640 -0.000 0.000 0.193 232 D C 1.695 178.066 176.300 0.118 0.000 0.998 232 D CA 1.373 55.360 54.000 -0.021 0.000 0.836 232 D CB -0.499 40.322 40.800 0.035 0.000 0.951 232 D HN 0.506 nan 8.370 nan 0.000 0.449 233 Y N 0.866 121.179 120.300 0.020 0.000 2.263 233 Y HA -0.003 4.547 4.550 -0.000 0.000 0.292 233 Y C 2.292 178.295 175.900 0.172 0.000 1.130 233 Y CA 0.399 58.570 58.100 0.119 0.000 1.179 233 Y CB -0.312 38.239 38.460 0.152 0.000 0.998 233 Y HN -0.074 nan 8.280 nan 0.000 0.532 234 I N -0.120 120.541 120.570 0.152 0.000 2.226 234 I HA -0.360 3.810 4.170 -0.000 0.000 0.245 234 I C 1.887 178.055 176.117 0.085 0.000 1.100 234 I CA 1.393 62.769 61.300 0.126 0.000 1.374 234 I CB -0.371 37.719 38.000 0.151 0.000 1.057 234 I HN 0.182 nan 8.210 nan 0.000 0.413 235 N N 0.521 119.254 118.700 0.055 0.000 2.244 235 N HA -0.205 4.535 4.740 -0.000 0.000 0.183 235 N C 1.491 177.003 175.510 0.004 0.000 1.016 235 N CA 1.370 54.434 53.050 0.023 0.000 0.866 235 N CB -0.444 38.021 38.487 -0.036 0.000 0.980 235 N HN 0.360 nan 8.380 nan 0.000 0.430 236 D N 0.485 120.885 120.400 -0.000 0.000 2.097 236 D HA -0.020 4.620 4.640 -0.000 0.000 0.195 236 D C 1.774 178.040 176.300 -0.058 0.000 0.989 236 D CA 1.392 55.381 54.000 -0.018 0.000 0.827 236 D CB -0.101 40.696 40.800 -0.005 0.000 0.966 236 D HN 0.220 nan 8.370 nan 0.000 0.456 237 A N 0.005 122.777 122.820 -0.080 0.000 1.933 237 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 237 A C 2.391 179.971 177.584 -0.007 0.000 1.175 237 A CA 1.033 52.941 52.037 -0.216 0.000 0.628 237 A CB -0.767 18.033 19.000 -0.333 0.000 0.814 237 A HN 0.379 nan 8.150 nan 0.000 0.444 238 I N -0.665 119.932 120.570 0.046 0.000 2.179 238 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 238 I C 2.618 178.768 176.117 0.055 0.000 1.088 238 I CA 1.606 62.969 61.300 0.106 0.000 1.357 238 I CB -0.243 37.796 38.000 0.065 0.000 1.051 238 I HN 0.308 nan 8.210 nan 0.000 0.409 239 K N 0.803 121.191 120.400 -0.021 0.000 2.032 239 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 239 K C 1.666 178.176 176.600 -0.151 0.000 1.048 239 K CA 1.996 58.247 56.287 -0.059 0.000 0.927 239 K CB -0.197 32.268 32.500 -0.057 0.000 0.712 239 K HN 0.263 nan 8.250 nan 0.000 0.441 240 D N -0.630 119.589 120.400 -0.302 0.000 2.144 240 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 240 D C 1.585 177.451 176.300 -0.723 0.000 0.984 240 D CA 1.228 54.867 54.000 -0.601 0.000 0.834 240 D CB -0.054 40.174 40.800 -0.953 0.000 0.955 240 D HN 0.226 nan 8.370 nan 0.000 0.465 241 F N -1.850 118.019 119.950 -0.134 0.000 2.680 241 F HA 0.268 4.795 4.527 -0.000 0.000 0.290 241 F C 0.705 176.179 175.800 -0.542 0.000 1.114 241 F CA -0.169 57.656 58.000 -0.293 0.000 1.333 241 F CB 0.339 39.177 39.000 -0.270 0.000 1.091 241 F HN -0.233 nan 8.300 nan 0.000 0.606 242 F N 1.337 121.273 119.950 -0.024 0.000 2.577 242 F HA 0.361 4.888 4.527 -0.000 0.000 0.342 242 F C -1.775 173.985 175.800 -0.068 0.000 1.479 242 F CA -1.775 56.171 58.000 -0.090 0.000 1.110 242 F CB 0.302 39.230 39.000 -0.121 0.000 1.306 242 F HN -0.231 nan 8.300 nan 0.000 0.554 243 P HA -0.120 nan 4.420 nan 0.000 0.225 243 P C 0.064 177.384 177.300 0.034 0.000 1.148 243 P CA 0.971 64.078 63.100 0.012 0.000 0.779 243 P CB 0.297 31.979 31.700 -0.032 0.000 0.780 244 E N 1.245 121.475 120.200 0.049 0.000 2.360 244 E HA -0.006 4.344 4.350 -0.000 0.000 0.269 244 E C 0.822 177.469 176.600 0.079 0.000 1.022 244 E CA 0.063 56.498 56.400 0.059 0.000 0.887 244 E CB 0.255 29.994 29.700 0.065 0.000 0.990 244 E HN 0.249 nan 8.360 nan 0.000 0.426 245 D N 0.542 120.980 120.400 0.063 0.000 2.348 245 D HA -0.150 4.490 4.640 -0.000 0.000 0.216 245 D C 1.138 177.488 176.300 0.082 0.000 0.970 245 D CA 1.092 55.131 54.000 0.064 0.000 0.889 245 D CB -0.240 40.587 40.800 0.046 0.000 0.912 245 D HN 0.424 nan 8.370 nan 0.000 0.524 246 T N -2.107 112.506 114.554 0.097 0.000 3.035 246 T HA 0.027 4.377 4.350 -0.000 0.000 0.268 246 T C 0.940 175.757 174.700 0.195 0.000 1.109 246 T CA 0.040 62.215 62.100 0.125 0.000 1.119 246 T CB -0.431 68.512 68.868 0.125 0.000 0.900 246 T HN -0.006 nan 8.240 nan 0.000 0.503 247 V N 2.435 122.468 119.914 0.198 0.000 2.465 247 V HA 0.320 4.440 4.120 -0.000 0.000 0.279 247 V C 0.361 176.554 176.094 0.164 0.000 1.045 247 V CA -0.634 61.807 62.300 0.234 0.000 0.938 247 V CB 1.205 33.159 31.823 0.218 0.000 0.986 247 V HN 0.325 nan 8.190 nan 0.000 0.467 248 T N 6.842 121.512 114.554 0.192 0.000 2.771 248 T HA 0.593 4.943 4.350 -0.000 0.000 0.291 248 T C -0.150 174.563 174.700 0.020 0.000 0.954 248 T CA 0.064 62.242 62.100 0.130 0.000 1.045 248 T CB 0.333 69.324 68.868 0.205 0.000 0.917 248 T HN 0.387 nan 8.240 nan 0.000 0.484 249 I N 4.091 124.659 120.570 -0.004 0.000 2.378 249 I HA 0.565 4.735 4.170 -0.000 0.000 0.291 249 I C 0.091 176.187 176.117 -0.035 0.000 0.992 249 I CA -1.051 60.203 61.300 -0.076 0.000 1.154 249 I CB 1.581 39.524 38.000 -0.094 0.000 1.315 249 I HN 0.363 nan 8.210 nan 0.000 0.448 250 V N 2.690 122.553 119.914 -0.084 0.000 3.074 250 V HA 1.031 5.151 4.120 -0.000 0.000 0.314 250 V C -0.392 175.638 176.094 -0.106 0.000 1.117 250 V CA -0.560 61.717 62.300 -0.038 0.000 1.014 250 V CB 1.746 33.543 31.823 -0.043 0.000 1.057 250 V HN 0.825 nan 8.190 nan 0.000 0.438 251 A N 1.242 124.029 122.820 -0.055 0.000 2.485 251 A HA 0.898 5.218 4.320 -0.000 0.000 0.292 251 A C -0.486 177.020 177.584 -0.130 0.000 1.147 251 A CA -0.739 51.221 52.037 -0.129 0.000 0.750 251 A CB 1.748 20.718 19.000 -0.049 0.000 1.331 251 A HN 0.951 nan 8.150 nan 0.000 0.419 252 E N 1.347 121.444 120.200 -0.171 0.000 3.588 252 E HA 0.243 4.593 4.350 -0.000 0.000 0.213 252 E C -2.638 173.890 176.600 -0.120 0.000 1.168 252 E CA -1.569 54.753 56.400 -0.131 0.000 1.254 252 E CB 0.828 30.451 29.700 -0.128 0.000 1.302 252 E HN 0.429 nan 8.360 nan 0.000 0.429 253 P HA 0.074 nan 4.420 nan 0.000 0.281 253 P C 0.283 177.619 177.300 0.059 0.000 1.252 253 P CA 0.100 63.163 63.100 -0.062 0.000 0.778 253 P CB 2.058 33.605 31.700 -0.255 0.000 0.895 254 G N 4.492 113.326 108.800 0.056 0.000 2.764 254 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.218 254 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.218 254 G C 1.365 176.353 174.900 0.146 0.000 1.304 254 G CA -0.104 45.012 45.100 0.027 0.000 0.847 254 G HN 0.508 nan 8.290 nan 0.000 0.610 255 R N -0.528 120.011 120.500 0.065 0.000 2.127 255 R HA 0.020 4.360 4.340 -0.000 0.000 0.238 255 R C 2.229 178.541 176.300 0.019 0.000 1.134 255 R CA 1.463 57.569 56.100 0.010 0.000 0.975 255 R CB -0.958 29.349 30.300 0.012 0.000 0.865 255 R HN 0.300 nan 8.270 nan 0.000 0.447 256 F N 1.394 121.282 119.950 -0.103 0.000 2.120 256 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 256 F C 1.451 177.109 175.800 -0.237 0.000 1.095 256 F CA 1.689 59.572 58.000 -0.197 0.000 1.249 256 F CB -0.054 38.755 39.000 -0.319 0.000 0.995 256 F HN -0.090 nan 8.300 nan 0.000 0.480 257 F N -0.506 119.580 119.950 0.225 0.000 2.374 257 F HA 0.211 4.738 4.527 -0.000 0.000 0.291 257 F C 2.398 178.181 175.800 -0.029 0.000 1.084 257 F CA 0.795 58.833 58.000 0.063 0.000 1.413 257 F CB -1.370 37.598 39.000 -0.053 0.000 1.099 257 F HN -0.020 nan 8.300 nan 0.000 0.534 258 A N -0.267 122.653 122.820 0.168 0.000 1.970 258 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 258 A C 2.130 179.740 177.584 0.044 0.000 1.170 258 A CA 1.377 53.463 52.037 0.083 0.000 0.645 258 A CB -0.764 18.273 19.000 0.062 0.000 0.816 258 A HN 0.396 nan 8.150 nan 0.000 0.447 259 E N -0.389 119.757 120.200 -0.091 0.000 2.033 259 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 259 E C 1.419 177.947 176.600 -0.120 0.000 1.011 259 E CA 1.607 57.882 56.400 -0.209 0.000 0.815 259 E CB -0.255 29.189 29.700 -0.427 0.000 0.755 259 E HN 0.737 nan 8.360 nan 0.000 0.451 260 H N -1.262 117.877 119.070 0.115 0.000 2.547 260 H HA -0.049 4.507 4.556 -0.000 0.000 0.266 260 H C 1.377 176.819 175.328 0.191 0.000 0.988 260 H CA 0.629 56.758 56.048 0.135 0.000 1.147 260 H CB -0.139 29.672 29.762 0.083 0.000 1.365 260 H HN 0.368 nan 8.280 nan 0.000 0.589 261 Y N 1.802 122.190 120.300 0.147 0.000 2.274 261 Y HA -0.096 4.454 4.550 -0.000 0.000 0.290 261 Y C 0.258 176.254 175.900 0.160 0.000 1.145 261 Y CA 0.381 58.560 58.100 0.132 0.000 1.203 261 Y CB 0.434 38.942 38.460 0.081 0.000 0.984 261 Y HN -0.088 nan 8.280 nan 0.000 0.533 262 S N -0.740 115.014 115.700 0.090 0.000 2.570 262 S HA 0.636 5.106 4.470 -0.000 0.000 0.286 262 S C -1.093 173.638 174.600 0.219 0.000 1.099 262 S CA -0.383 57.855 58.200 0.063 0.000 0.913 262 S CB 2.195 65.485 63.200 0.149 0.000 1.085 262 S HN 0.207 nan 8.310 nan 0.000 0.480 263 V N 0.216 120.240 119.914 0.183 0.000 2.815 263 V HA 0.836 4.956 4.120 -0.000 0.000 0.314 263 V C -1.055 175.107 176.094 0.113 0.000 1.064 263 V CA -0.959 61.474 62.300 0.223 0.000 0.952 263 V CB 1.460 33.387 31.823 0.174 0.000 1.020 263 V HN 0.689 nan 8.190 nan 0.000 0.439 264 L N 4.373 125.624 121.223 0.047 0.000 2.276 264 L HA 0.886 5.226 4.340 -0.000 0.000 0.286 264 L C 0.355 177.125 176.870 -0.167 0.000 1.024 264 L CA -0.360 54.304 54.840 -0.292 0.000 0.826 264 L CB 0.522 42.260 42.059 -0.536 0.000 1.211 264 L HN 1.126 nan 8.230 nan 0.000 0.422 265 A N 3.468 126.054 122.820 -0.390 0.000 2.331 265 A HA 0.732 5.052 4.320 -0.000 0.000 0.283 265 A C -0.026 177.547 177.584 -0.018 0.000 1.142 265 A CA -0.137 51.700 52.037 -0.333 0.000 0.812 265 A CB 0.685 19.015 19.000 -1.115 0.000 1.074 265 A HN 0.736 nan 8.150 nan 0.000 0.497 266 T N 0.847 115.564 114.554 0.272 0.000 2.894 266 T HA 0.492 4.842 4.350 -0.000 0.000 0.309 266 T C -1.195 173.522 174.700 0.028 0.000 1.208 266 T CA -0.495 61.729 62.100 0.207 0.000 1.016 266 T CB 1.433 70.388 68.868 0.146 0.000 1.192 266 T HN 0.823 nan 8.240 nan 0.000 0.491 267 Q N 2.574 122.118 119.800 -0.427 0.000 2.309 267 Q HA 0.637 4.977 4.340 -0.000 0.000 0.264 267 Q C -0.967 174.803 176.000 -0.382 0.000 1.008 267 Q CA -0.828 54.493 55.803 -0.803 0.000 0.853 267 Q CB 1.780 29.547 28.738 -1.618 0.000 1.314 267 Q HN 0.590 nan 8.270 nan 0.000 0.448 268 V N 5.982 125.602 119.914 -0.490 0.000 2.450 268 V HA -0.028 4.092 4.120 -0.000 0.000 0.281 268 V C 0.956 176.832 176.094 -0.363 0.000 1.019 268 V CA 0.457 62.373 62.300 -0.640 0.000 1.062 268 V CB -0.152 31.348 31.823 -0.537 0.000 0.979 268 V HN 0.752 nan 8.190 nan 0.000 0.477 269 I N 2.304 122.708 120.570 -0.275 0.000 4.035 269 I HA 0.631 4.801 4.170 -0.000 0.000 0.321 269 I C 0.894 176.959 176.117 -0.087 0.000 1.289 269 I CA 0.549 61.762 61.300 -0.145 0.000 1.236 269 I CB 0.022 37.961 38.000 -0.101 0.000 1.076 269 I HN 0.514 nan 8.210 nan 0.000 0.418 270 G N 0.474 109.242 108.800 -0.052 0.000 2.690 270 G HA2 0.667 4.627 3.960 -0.000 0.000 0.291 270 G HA3 0.667 4.627 3.960 -0.000 0.000 0.291 270 G C -1.866 173.090 174.900 0.092 0.000 1.403 270 G CA -0.811 44.279 45.100 -0.016 0.000 0.864 270 G HN 0.182 nan 8.290 nan 0.000 0.480 271 K N -0.352 120.080 120.400 0.054 0.000 2.562 271 K HA 0.654 4.974 4.320 -0.000 0.000 0.267 271 K C -1.546 175.040 176.600 -0.024 0.000 0.938 271 K CA -0.862 55.452 56.287 0.045 0.000 0.840 271 K CB 2.597 35.138 32.500 0.069 0.000 1.390 271 K HN 0.614 nan 8.250 nan 0.000 0.428 272 R N 2.929 123.382 120.500 -0.079 0.000 2.515 272 R HA 0.387 4.727 4.340 -0.000 0.000 0.278 272 R C -1.929 174.251 176.300 -0.199 0.000 1.107 272 R CA -0.621 55.422 56.100 -0.095 0.000 0.945 272 R CB 1.941 32.229 30.300 -0.020 0.000 1.219 272 R HN 0.305 nan 8.270 nan 0.000 0.434 273 V N 5.172 124.945 119.914 -0.236 0.000 2.409 273 V HA 0.575 4.695 4.120 -0.000 0.000 0.291 273 V C -0.290 175.641 176.094 -0.272 0.000 1.020 273 V CA -0.657 61.404 62.300 -0.398 0.000 0.848 273 V CB 1.587 33.079 31.823 -0.551 0.000 0.990 273 V HN 0.678 nan 8.190 nan 0.000 0.430 274 R N 3.446 123.800 120.500 -0.244 0.000 2.502 274 R HA 0.398 4.738 4.340 -0.000 0.000 0.298 274 R C -1.042 175.182 176.300 -0.127 0.000 1.018 274 R CA -0.746 55.268 56.100 -0.144 0.000 0.899 274 R CB 1.522 31.771 30.300 -0.085 0.000 1.181 274 R HN 0.742 nan 8.270 nan 0.000 0.444 275 D N 2.057 122.395 120.400 -0.103 0.000 2.699 275 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 275 D C 0.920 177.190 176.300 -0.051 0.000 1.136 275 D CA 1.950 55.913 54.000 -0.060 0.000 0.668 275 D CB -0.820 39.959 40.800 -0.035 0.000 1.060 275 D HN 1.119 nan 8.370 nan 0.000 0.429 276 G N -1.257 107.491 108.800 -0.086 0.000 2.179 276 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 276 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 276 G C 0.103 175.023 174.900 0.034 0.000 0.977 276 G CA 0.429 45.525 45.100 -0.006 0.000 0.641 276 G HN 0.541 nan 8.290 nan 0.000 0.533 277 L N 0.880 122.047 121.223 -0.093 0.000 2.296 277 L HA 0.759 5.099 4.340 -0.000 0.000 0.286 277 L C -0.547 176.218 176.870 -0.175 0.000 1.023 277 L CA -1.604 53.225 54.840 -0.018 0.000 0.812 277 L CB 0.846 42.898 42.059 -0.012 0.000 1.223 277 L HN 0.133 nan 8.230 nan 0.000 0.421 278 Y N 3.720 123.928 120.300 -0.153 0.000 2.434 278 Y HA 0.415 4.965 4.550 0.000 0.000 0.341 278 Y C -0.001 175.551 175.900 -0.580 0.000 0.965 278 Y CA -0.504 57.381 58.100 -0.359 0.000 1.205 278 Y CB 0.863 39.159 38.460 -0.274 0.000 1.121 278 Y HN 0.524 nan 8.280 nan 0.000 0.507 279 E N 3.694 123.607 120.200 -0.478 0.000 2.133 279 E HA 0.342 4.692 4.350 -0.000 0.000 0.274 279 E C -1.507 174.858 176.600 -0.391 0.000 0.930 279 E CA -0.773 55.453 56.400 -0.290 0.000 0.770 279 E CB 1.304 31.042 29.700 0.065 0.000 1.104 279 E HN 0.485 nan 8.360 nan 0.000 0.403 280 Y N 1.527 121.831 120.300 0.005 0.000 2.446 280 Y HA 0.433 4.983 4.550 -0.000 0.000 0.345 280 Y C -0.545 175.229 175.900 -0.210 0.000 0.984 280 Y CA -0.971 57.068 58.100 -0.100 0.000 1.058 280 Y CB 1.182 39.465 38.460 -0.295 0.000 1.220 280 Y HN 0.414 nan 8.280 nan 0.000 0.455 281 F N 2.828 122.719 119.950 -0.098 0.000 2.458 281 F HA 0.577 5.104 4.527 0.000 0.000 0.336 281 F C -0.673 174.921 175.800 -0.342 0.000 1.114 281 F CA -0.805 57.141 58.000 -0.090 0.000 0.987 281 F CB 0.968 39.926 39.000 -0.071 0.000 1.130 281 F HN 0.282 nan 8.300 nan 0.000 0.458 282 F N 1.171 121.122 119.950 0.002 0.000 2.497 282 F HA 0.267 4.794 4.527 -0.000 0.000 0.331 282 F C 0.973 176.702 175.800 -0.118 0.000 1.060 282 F CA -1.079 56.864 58.000 -0.095 0.000 0.989 282 F CB 0.961 39.864 39.000 -0.161 0.000 1.245 282 F HN 0.435 nan 8.300 nan 0.000 0.486 283 N N 0.417 119.160 118.700 0.071 0.000 2.441 283 N HA 0.037 4.777 4.740 -0.000 0.000 0.225 283 N C -0.510 175.042 175.510 0.071 0.000 1.208 283 N CA 0.305 53.359 53.050 0.007 0.000 0.847 283 N CB -0.293 38.206 38.487 0.021 0.000 1.121 283 N HN 0.503 nan 8.380 nan 0.000 0.479 284 E N -0.582 119.664 120.200 0.077 0.000 2.456 284 E HA 0.549 4.899 4.350 -0.000 0.000 0.276 284 E C -1.034 175.606 176.600 0.066 0.000 0.981 284 E CA -0.530 55.950 56.400 0.133 0.000 0.814 284 E CB 2.300 32.122 29.700 0.203 0.000 1.382 284 E HN 0.306 nan 8.360 nan 0.000 0.459 285 S N -2.037 113.774 115.700 0.186 0.000 2.615 285 S HA 0.194 4.664 4.470 -0.000 0.000 0.268 285 S C 0.628 175.388 174.600 0.266 0.000 1.146 285 S CA 0.115 58.409 58.200 0.157 0.000 0.818 285 S CB 0.686 64.026 63.200 0.233 0.000 1.111 285 S HN 0.458 nan 8.310 nan 0.000 0.465 286 T N -1.243 113.395 114.554 0.140 0.000 3.007 286 T HA -0.008 4.342 4.350 -0.000 0.000 0.270 286 T C 1.019 175.721 174.700 0.004 0.000 1.107 286 T CA 1.150 63.283 62.100 0.056 0.000 1.118 286 T CB -0.823 67.954 68.868 -0.152 0.000 0.889 286 T HN 0.643 nan 8.240 nan 0.000 0.506 287 Y N 1.383 121.840 120.300 0.262 0.000 2.490 287 Y HA 0.466 5.016 4.550 -0.000 0.000 0.281 287 Y C 2.129 178.215 175.900 0.311 0.000 1.174 287 Y CA -0.401 57.878 58.100 0.298 0.000 1.295 287 Y CB -0.127 38.574 38.460 0.401 0.000 1.062 287 Y HN 0.401 nan 8.280 nan 0.000 0.522 288 G N -0.942 108.113 108.800 0.425 0.000 3.198 288 G HA2 0.268 4.228 3.960 -0.000 0.000 0.203 288 G HA3 0.268 4.228 3.960 -0.000 0.000 0.203 288 G C 1.466 176.559 174.900 0.320 0.000 1.950 288 G CA 0.194 45.526 45.100 0.387 0.000 0.798 288 G HN 0.181 nan 8.290 nan 0.000 0.720 289 G N -0.607 108.368 108.800 0.291 0.000 2.985 289 G HA2 0.231 4.191 3.960 -0.000 0.000 0.209 289 G HA3 0.231 4.191 3.960 -0.000 0.000 0.209 289 G C 0.327 175.260 174.900 0.055 0.000 1.165 289 G CA -0.124 45.072 45.100 0.159 0.000 0.776 289 G HN 0.249 nan 8.290 nan 0.000 0.541 290 F N 1.332 121.426 119.950 0.239 0.000 2.750 290 F HA 0.154 4.681 4.527 -0.000 0.000 0.297 290 F C 2.209 178.091 175.800 0.136 0.000 1.138 290 F CA -0.054 58.079 58.000 0.221 0.000 1.346 290 F CB 0.663 39.657 39.000 -0.010 0.000 0.965 290 F HN 0.139 nan 8.300 nan 0.000 0.514 291 S N -0.848 114.992 115.700 0.234 0.000 2.440 291 S HA -0.215 4.255 4.470 -0.000 0.000 0.238 291 S C 1.877 176.590 174.600 0.188 0.000 1.010 291 S CA 1.252 59.568 58.200 0.192 0.000 0.972 291 S CB -0.298 63.103 63.200 0.336 0.000 0.774 291 S HN 0.356 nan 8.310 nan 0.000 0.501 292 N N 1.536 120.339 118.700 0.172 0.000 2.289 292 N HA 0.011 4.751 4.740 -0.000 0.000 0.184 292 N C 1.592 177.177 175.510 0.126 0.000 1.016 292 N CA 0.992 54.115 53.050 0.122 0.000 0.872 292 N CB -0.664 37.795 38.487 -0.047 0.000 0.973 292 N HN 0.362 nan 8.380 nan 0.000 0.433 293 V N 1.117 121.128 119.914 0.161 0.000 2.343 293 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 293 V C 2.148 178.239 176.094 -0.006 0.000 1.051 293 V CA 1.255 63.623 62.300 0.113 0.000 1.036 293 V CB -0.226 31.668 31.823 0.118 0.000 0.654 293 V HN 0.247 nan 8.190 nan 0.000 0.451 294 I N -1.705 118.782 120.570 -0.139 0.000 2.339 294 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 294 I C 2.094 177.995 176.117 -0.360 0.000 1.096 294 I CA 1.401 62.488 61.300 -0.354 0.000 1.408 294 I CB -0.165 37.438 38.000 -0.661 0.000 1.092 294 I HN 0.219 nan 8.210 nan 0.000 0.423 295 F N 0.613 120.563 119.950 -0.000 0.000 2.387 295 F HA 0.039 4.566 4.527 -0.000 0.000 0.294 295 F C 1.963 177.749 175.800 -0.023 0.000 1.093 295 F CA 0.724 58.710 58.000 -0.023 0.000 1.420 295 F CB -0.153 38.818 39.000 -0.049 0.000 1.086 295 F HN -0.021 nan 8.300 nan 0.000 0.531 296 E N 0.842 121.131 120.200 0.149 0.000 2.548 296 E HA 0.045 4.395 4.350 -0.000 0.000 0.206 296 E C 0.336 176.987 176.600 0.086 0.000 1.005 296 E CA 0.046 56.506 56.400 0.099 0.000 0.951 296 E CB 0.185 29.934 29.700 0.082 0.000 1.035 296 E HN 0.234 nan 8.360 nan 0.000 0.470 297 K N 0.663 121.104 120.400 0.068 0.000 3.069 297 K HA -0.197 4.123 4.320 -0.000 0.000 0.267 297 K C -0.323 176.331 176.600 0.090 0.000 1.082 297 K CA 0.780 57.104 56.287 0.062 0.000 0.782 297 K CB -2.584 29.947 32.500 0.051 0.000 1.230 297 K HN 0.109 nan 8.250 nan 0.000 0.488 298 S N 0.259 116.030 115.700 0.119 0.000 2.549 298 S HA 0.338 4.808 4.470 -0.000 0.000 0.283 298 S C 0.247 174.950 174.600 0.172 0.000 1.320 298 S CA -0.155 58.147 58.200 0.170 0.000 1.058 298 S CB 1.209 64.550 63.200 0.235 0.000 0.882 298 S HN 0.378 nan 8.310 nan 0.000 0.498 299 V N 7.858 127.872 119.914 0.167 0.000 2.266 299 V HA 0.377 4.497 4.120 -0.000 0.000 0.266 299 V C -2.048 174.146 176.094 0.167 0.000 1.036 299 V CA -1.300 61.083 62.300 0.138 0.000 0.828 299 V CB 0.591 32.473 31.823 0.099 0.000 1.081 299 V HN 0.826 nan 8.190 nan 0.000 0.449 300 P HA 0.400 nan 4.420 nan 0.000 0.285 300 P C -0.359 177.100 177.300 0.266 0.000 1.259 300 P CA -0.099 63.170 63.100 0.281 0.000 0.794 300 P CB 1.412 33.264 31.700 0.253 0.000 0.940 301 T N 5.029 119.685 114.554 0.169 0.000 2.758 301 T HA 0.401 4.751 4.350 -0.000 0.000 0.285 301 T C -2.166 172.351 174.700 -0.305 0.000 0.981 301 T CA -1.235 60.853 62.100 -0.019 0.000 0.965 301 T CB 0.874 69.724 68.868 -0.030 0.000 0.927 301 T HN 0.393 nan 8.240 nan 0.000 0.448 302 P HA 0.221 nan 4.420 nan 0.000 0.276 302 P C -0.869 175.996 177.300 -0.726 0.000 1.244 302 P CA -0.706 61.663 63.100 -1.219 0.000 0.801 302 P CB 0.828 31.734 31.700 -1.323 0.000 1.006 303 Q N 1.278 120.574 119.800 -0.840 0.000 2.278 303 Q HA 0.354 4.694 4.340 -0.000 0.000 0.257 303 Q C -0.243 175.463 176.000 -0.489 0.000 0.928 303 Q CA -0.913 54.476 55.803 -0.689 0.000 0.932 303 Q CB 1.338 29.416 28.738 -1.101 0.000 1.221 303 Q HN 0.407 nan 8.270 nan 0.000 0.434 304 L N 2.748 123.801 121.223 -0.285 0.000 2.380 304 L HA 0.053 4.393 4.340 -0.000 0.000 0.273 304 L C 1.358 178.205 176.870 -0.038 0.000 1.138 304 L CA 0.513 55.262 54.840 -0.153 0.000 0.832 304 L CB 0.446 42.420 42.059 -0.142 0.000 1.124 304 L HN 0.649 nan 8.230 nan 0.000 0.454 305 L N 2.031 123.283 121.223 0.048 0.000 2.202 305 L HA 0.137 4.477 4.340 -0.000 0.000 0.205 305 L C 1.225 178.136 176.870 0.069 0.000 1.083 305 L CA 0.161 55.067 54.840 0.109 0.000 0.790 305 L CB -0.122 42.037 42.059 0.167 0.000 0.942 305 L HN 0.555 nan 8.230 nan 0.000 0.452 306 R N 1.413 121.946 120.500 0.055 0.000 2.421 306 R HA -0.030 4.310 4.340 -0.000 0.000 0.305 306 R C -0.401 175.909 176.300 0.016 0.000 1.039 306 R CA -0.275 55.849 56.100 0.039 0.000 1.003 306 R CB 0.292 30.617 30.300 0.041 0.000 0.959 306 R HN -0.062 nan 8.270 nan 0.000 0.427 307 D N 3.412 123.823 120.400 0.019 0.000 2.414 307 D HA 0.135 4.775 4.640 -0.000 0.000 0.242 307 D C -0.653 175.653 176.300 0.011 0.000 1.129 307 D CA -0.033 53.975 54.000 0.014 0.000 0.885 307 D CB 1.161 41.971 40.800 0.017 0.000 1.198 307 D HN 0.300 nan 8.370 nan 0.000 0.437 308 V N 1.259 121.179 119.914 0.011 0.000 2.823 308 V HA 0.700 4.820 4.120 -0.000 0.000 0.312 308 V C -2.359 173.751 176.094 0.026 0.000 1.072 308 V CA -1.747 60.562 62.300 0.015 0.000 0.937 308 V CB 1.320 33.145 31.823 0.004 0.000 1.013 308 V HN 0.491 nan 8.190 nan 0.000 0.430 309 P HA 0.167 nan 4.420 nan 0.000 0.270 309 P C 0.091 177.414 177.300 0.039 0.000 1.227 309 P CA 0.013 63.130 63.100 0.028 0.000 0.788 309 P CB 0.638 32.353 31.700 0.025 0.000 0.926 310 D N 0.865 121.283 120.400 0.029 0.000 2.219 310 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 310 D C 0.851 177.165 176.300 0.023 0.000 0.970 310 D CA 1.015 55.030 54.000 0.025 0.000 0.851 310 D CB -0.318 40.489 40.800 0.011 0.000 0.943 310 D HN 0.522 nan 8.370 nan 0.000 0.488 311 D N 0.939 121.353 120.400 0.023 0.000 2.328 311 D HA -0.078 4.562 4.640 -0.000 0.000 0.226 311 D C 0.469 176.794 176.300 0.043 0.000 1.066 311 D CA -0.008 54.005 54.000 0.022 0.000 0.861 311 D CB -0.369 40.439 40.800 0.014 0.000 0.912 311 D HN 0.002 nan 8.370 nan 0.000 0.521 312 E N 1.638 121.880 120.200 0.070 0.000 2.480 312 E HA -0.072 4.278 4.350 -0.000 0.000 0.258 312 E C 0.071 176.762 176.600 0.151 0.000 0.984 312 E CA 0.140 56.595 56.400 0.092 0.000 0.930 312 E CB 0.672 30.425 29.700 0.087 0.000 0.936 312 E HN 0.459 nan 8.360 nan 0.000 0.466 313 E N 4.445 124.705 120.200 0.101 0.000 2.366 313 E HA -0.055 4.295 4.350 -0.000 0.000 0.266 313 E C -0.981 175.726 176.600 0.178 0.000 1.015 313 E CA -0.198 56.268 56.400 0.110 0.000 0.906 313 E CB 0.364 30.091 29.700 0.045 0.000 0.979 313 E HN 0.266 nan 8.360 nan 0.000 0.443 314 Y N 2.781 123.039 120.300 -0.071 0.000 2.299 314 Y HA 0.250 4.800 4.550 -0.000 0.000 0.326 314 Y C 0.492 176.325 175.900 -0.112 0.000 1.164 314 Y CA -0.750 57.294 58.100 -0.093 0.000 1.234 314 Y CB 1.478 39.897 38.460 -0.069 0.000 1.219 314 Y HN 0.389 nan 8.280 nan 0.000 0.497 315 V N 0.925 120.790 119.914 -0.081 0.000 2.864 315 V HA 0.748 4.868 4.120 -0.000 0.000 0.314 315 V C -2.935 173.134 176.094 -0.042 0.000 1.073 315 V CA -3.329 58.884 62.300 -0.146 0.000 0.956 315 V CB 1.934 33.406 31.823 -0.585 0.000 1.023 315 V HN 0.521 nan 8.190 nan 0.000 0.435 316 P HA 0.419 nan 4.420 nan 0.000 0.276 316 P C -0.574 176.796 177.300 0.117 0.000 1.243 316 P CA 0.335 63.486 63.100 0.085 0.000 0.768 316 P CB 0.877 32.634 31.700 0.096 0.000 0.856 317 S N 1.472 117.223 115.700 0.085 0.000 2.568 317 S HA 0.654 5.123 4.470 -0.000 0.000 0.293 317 S C -0.600 174.017 174.600 0.029 0.000 1.089 317 S CA -0.681 57.593 58.200 0.123 0.000 0.945 317 S CB 1.549 64.880 63.200 0.218 0.000 1.077 317 S HN 0.131 nan 8.310 nan 0.000 0.485 318 V N 2.637 122.530 119.914 -0.036 0.000 2.531 318 V HA 0.451 4.571 4.120 -0.000 0.000 0.301 318 V C -0.970 174.963 176.094 -0.268 0.000 1.034 318 V CA -0.672 61.479 62.300 -0.249 0.000 0.865 318 V CB 1.357 32.920 31.823 -0.433 0.000 0.995 318 V HN 0.722 nan 8.190 nan 0.000 0.424 319 L N 5.109 126.149 121.223 -0.305 0.000 2.283 319 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 319 L C -0.998 175.634 176.870 -0.397 0.000 1.033 319 L CA -0.470 54.291 54.840 -0.131 0.000 0.848 319 L CB 0.267 42.274 42.059 -0.087 0.000 1.226 319 L HN 0.513 nan 8.230 nan 0.000 0.429 320 Y N 1.271 121.392 120.300 -0.300 0.000 2.310 320 Y HA 0.483 5.033 4.550 0.000 0.000 0.326 320 Y C 1.183 176.905 175.900 -0.298 0.000 1.151 320 Y CA -0.251 57.539 58.100 -0.515 0.000 1.195 320 Y CB 1.559 39.245 38.460 -1.290 0.000 1.210 320 Y HN 0.583 nan 8.280 nan 0.000 0.483 321 G N 0.345 109.127 108.800 -0.030 0.000 2.606 321 G HA2 0.204 4.164 3.960 -0.000 0.000 0.252 321 G HA3 0.204 4.164 3.960 -0.000 0.000 0.252 321 G C 0.779 175.733 174.900 0.091 0.000 1.206 321 G CA -0.226 44.880 45.100 0.009 0.000 0.861 321 G HN 1.077 nan 8.290 nan 0.000 0.561 322 C N -0.305 118.987 119.300 -0.014 0.000 2.500 322 C HA 0.200 4.660 4.460 -0.000 0.000 0.273 322 C C 1.766 176.656 174.990 -0.168 0.000 1.428 322 C CA 0.308 59.211 59.018 -0.192 0.000 1.766 322 C CB -1.964 25.337 27.740 -0.731 0.000 1.817 322 C HN 0.866 nan 8.230 nan 0.000 0.543 323 T N -0.844 113.736 114.554 0.043 0.000 2.788 323 T HA 0.212 4.562 4.350 -0.000 0.000 0.287 323 T C 1.259 176.042 174.700 0.138 0.000 1.007 323 T CA 0.254 62.446 62.100 0.154 0.000 1.005 323 T CB 0.666 69.663 68.868 0.215 0.000 1.012 323 T HN 0.822 nan 8.240 nan 0.000 0.530 324 C N -0.704 118.630 119.300 0.057 0.000 2.437 324 C HA 0.132 4.592 4.460 -0.000 0.000 0.283 324 C C 0.919 175.974 174.990 0.109 0.000 1.424 324 C CA -0.282 58.764 59.018 0.046 0.000 1.782 324 C CB -1.457 26.265 27.740 -0.030 0.000 1.833 324 C HN 0.858 nan 8.230 nan 0.000 0.532 325 D N 0.923 121.444 120.400 0.201 0.000 2.304 325 D HA 0.348 4.988 4.640 -0.000 0.000 0.250 325 D C 1.356 177.786 176.300 0.216 0.000 1.107 325 D CA 0.733 54.896 54.000 0.272 0.000 0.885 325 D CB 1.590 42.693 40.800 0.504 0.000 1.192 325 D HN 0.302 nan 8.370 nan 0.000 0.436 326 G N 2.250 111.149 108.800 0.165 0.000 2.484 326 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 326 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 326 G C 1.415 176.409 174.900 0.158 0.000 1.130 326 G CA 0.288 45.468 45.100 0.133 0.000 0.784 326 G HN 0.455 nan 8.290 nan 0.000 0.543 327 V N 0.719 120.732 119.914 0.167 0.000 3.041 327 V HA 0.035 4.155 4.120 -0.000 0.000 0.260 327 V C 0.811 176.958 176.094 0.087 0.000 1.105 327 V CA 1.140 63.515 62.300 0.126 0.000 1.125 327 V CB -0.097 31.783 31.823 0.095 0.000 0.730 327 V HN 0.333 nan 8.190 nan 0.000 0.479 328 D N 0.836 121.321 120.400 0.142 0.000 2.508 328 D HA 0.187 4.827 4.640 -0.000 0.000 0.224 328 D C -0.617 175.720 176.300 0.062 0.000 1.171 328 D CA 0.247 54.311 54.000 0.106 0.000 1.006 328 D CB 0.138 41.101 40.800 0.271 0.000 1.073 328 D HN 0.174 nan 8.370 nan 0.000 0.513 329 V N 5.472 125.346 119.914 -0.066 0.000 2.443 329 V HA 0.230 4.350 4.120 -0.000 0.000 0.293 329 V C 1.516 177.420 176.094 -0.316 0.000 1.021 329 V CA -0.681 61.467 62.300 -0.254 0.000 0.848 329 V CB 1.496 32.959 31.823 -0.600 0.000 0.998 329 V HN 0.393 nan 8.190 nan 0.000 0.424 330 I N 2.444 122.786 120.570 -0.380 0.000 2.233 330 I HA 0.004 4.174 4.170 -0.000 0.000 0.243 330 I C 0.952 176.882 176.117 -0.312 0.000 1.093 330 I CA 1.319 62.349 61.300 -0.450 0.000 1.380 330 I CB 0.236 37.748 38.000 -0.814 0.000 1.067 330 I HN 0.636 nan 8.210 nan 0.000 0.413 331 N N -0.754 117.751 118.700 -0.326 0.000 2.519 331 N HA 0.121 4.861 4.740 -0.000 0.000 0.291 331 N C 0.090 175.445 175.510 -0.259 0.000 1.107 331 N CA -0.325 52.613 53.050 -0.187 0.000 0.904 331 N CB 0.953 39.377 38.487 -0.105 0.000 1.500 331 N HN 0.026 nan 8.380 nan 0.000 0.510 332 H N 1.321 120.305 119.070 -0.143 0.000 2.423 332 H HA 0.204 4.760 4.556 -0.000 0.000 0.297 332 H C -0.150 175.104 175.328 -0.123 0.000 1.075 332 H CA 1.245 57.202 56.048 -0.151 0.000 1.342 332 H CB 0.367 30.080 29.762 -0.082 0.000 1.395 332 H HN 0.427 nan 8.280 nan 0.000 0.530 333 N N -0.239 118.481 118.700 0.032 0.000 2.537 333 N HA 0.314 5.054 4.740 -0.000 0.000 0.281 333 N C -1.862 173.661 175.510 0.021 0.000 1.097 333 N CA -0.199 52.864 53.050 0.022 0.000 0.964 333 N CB 3.090 41.600 38.487 0.039 0.000 1.588 333 N HN -0.060 nan 8.380 nan 0.000 0.511 334 V N 0.923 120.849 119.914 0.020 0.000 2.852 334 V HA 0.681 4.801 4.120 -0.000 0.000 0.300 334 V C -1.124 174.992 176.094 0.037 0.000 1.205 334 V CA -0.572 61.743 62.300 0.025 0.000 0.940 334 V CB 1.777 33.602 31.823 0.004 0.000 1.047 334 V HN 0.775 nan 8.190 nan 0.000 0.429 335 A N 7.322 130.184 122.820 0.071 0.000 2.409 335 A HA 0.841 5.161 4.320 -0.000 0.000 0.267 335 A C -0.771 176.866 177.584 0.089 0.000 1.127 335 A CA -0.015 52.098 52.037 0.126 0.000 0.795 335 A CB 0.098 19.222 19.000 0.207 0.000 1.061 335 A HN 0.971 nan 8.150 nan 0.000 0.502 336 L N 2.739 123.872 121.223 -0.150 0.000 2.469 336 L HA 0.434 4.774 4.340 -0.000 0.000 0.256 336 L C -2.593 173.802 176.870 -0.791 0.000 1.006 336 L CA -2.316 52.173 54.840 -0.585 0.000 0.832 336 L CB 2.726 44.574 42.059 -0.352 0.000 1.421 336 L HN 0.371 nan 8.230 nan 0.000 0.410 337 P HA -0.035 nan 4.420 nan 0.000 0.267 337 P C -0.788 176.267 177.300 -0.408 0.000 1.201 337 P CA -0.069 62.682 63.100 -0.582 0.000 0.775 337 P CB 0.426 31.861 31.700 -0.441 0.000 0.854 338 E N 2.005 122.003 120.200 -0.336 0.000 2.465 338 E HA 0.026 4.376 4.350 -0.000 0.000 0.260 338 E C -0.653 175.722 176.600 -0.374 0.000 0.980 338 E CA 0.068 56.266 56.400 -0.338 0.000 0.927 338 E CB 0.055 29.580 29.700 -0.293 0.000 0.934 338 E HN 0.284 nan 8.360 nan 0.000 0.459 339 L N 3.855 124.824 121.223 -0.422 0.000 2.332 339 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 339 L C -0.446 176.115 176.870 -0.514 0.000 1.016 339 L CA -0.961 53.562 54.840 -0.529 0.000 0.809 339 L CB 1.431 42.948 42.059 -0.903 0.000 1.280 339 L HN 0.646 nan 8.230 nan 0.000 0.447 340 H N -0.401 118.624 119.070 -0.074 0.000 2.865 340 H HA 0.468 5.024 4.556 -0.000 0.000 0.372 340 H C -0.692 174.602 175.328 -0.057 0.000 1.173 340 H CA -0.735 55.313 56.048 0.000 0.000 1.147 340 H CB 1.795 31.560 29.762 0.006 0.000 1.805 340 H HN 0.362 nan 8.280 nan 0.000 0.553 341 I N 1.822 122.445 120.570 0.088 0.000 2.741 341 I HA 0.086 4.256 4.170 -0.000 0.000 0.288 341 I C 1.230 177.337 176.117 -0.018 0.000 1.192 341 I CA 1.633 62.927 61.300 -0.011 0.000 1.426 341 I CB 0.126 38.127 38.000 0.001 0.000 1.367 341 I HN 1.078 nan 8.210 nan 0.000 0.563 342 G N 4.046 112.789 108.800 -0.095 0.000 2.259 342 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 342 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 342 G C 0.125 174.981 174.900 -0.074 0.000 1.001 342 G CA -0.532 44.525 45.100 -0.070 0.000 0.627 342 G HN 0.557 nan 8.290 nan 0.000 0.501 343 D N 0.462 120.820 120.400 -0.071 0.000 2.458 343 D HA 0.320 4.960 4.640 -0.000 0.000 0.243 343 D C -0.008 176.241 176.300 -0.086 0.000 1.146 343 D CA 0.382 54.372 54.000 -0.017 0.000 0.877 343 D CB 0.358 41.121 40.800 -0.061 0.000 1.176 343 D HN 0.303 nan 8.370 nan 0.000 0.461 344 W N 2.069 123.392 121.300 0.039 0.000 2.496 344 W HA 0.408 5.068 4.660 -0.000 0.000 0.327 344 W C 0.161 176.694 176.519 0.023 0.000 1.086 344 W CA -0.613 56.770 57.345 0.064 0.000 1.222 344 W CB 1.130 30.644 29.460 0.090 0.000 1.304 344 W HN 0.083 nan 8.180 nan 0.000 0.547 345 V N 0.900 120.961 119.914 0.246 0.000 3.126 345 V HA 0.773 4.893 4.120 -0.000 0.000 0.314 345 V C -1.389 174.736 176.094 0.051 0.000 1.138 345 V CA -1.476 60.836 62.300 0.019 0.000 1.034 345 V CB 1.721 33.414 31.823 -0.216 0.000 1.075 345 V HN 0.563 nan 8.190 nan 0.000 0.442 346 Y N -0.684 119.459 120.300 -0.262 0.000 2.553 346 Y HA 0.845 5.395 4.550 -0.000 0.000 0.347 346 Y C -1.712 173.927 175.900 -0.435 0.000 1.019 346 Y CA -1.918 56.032 58.100 -0.249 0.000 1.032 346 Y CB 1.892 40.258 38.460 -0.157 0.000 1.284 346 Y HN 0.520 nan 8.280 nan 0.000 0.466 347 F N 3.715 123.598 119.950 -0.112 0.000 2.375 347 F HA 0.579 5.106 4.527 -0.000 0.000 0.361 347 F C -2.328 173.522 175.800 0.083 0.000 1.117 347 F CA -2.324 55.547 58.000 -0.215 0.000 1.037 347 F CB 1.546 40.172 39.000 -0.623 0.000 1.192 347 F HN 0.298 nan 8.300 nan 0.000 0.452 348 P HA 0.102 nan 4.420 nan 0.000 0.272 348 P C -0.139 177.436 177.300 0.459 0.000 1.240 348 P CA -0.195 63.129 63.100 0.373 0.000 0.791 348 P CB 0.605 32.466 31.700 0.267 0.000 0.978 349 S N -1.337 114.611 115.700 0.414 0.000 3.550 349 S HA -0.170 4.300 4.470 -0.000 0.000 0.372 349 S C -0.270 174.548 174.600 0.364 0.000 0.966 349 S CA 0.423 58.851 58.200 0.381 0.000 1.229 349 S CB -1.885 61.555 63.200 0.400 0.000 0.917 349 S HN 0.632 nan 8.310 nan 0.000 0.496 350 W N 0.488 121.867 121.300 0.132 0.000 2.410 350 W HA 0.431 5.091 4.660 -0.000 0.000 0.400 350 W C 0.899 177.489 176.519 0.118 0.000 0.777 350 W CA -0.014 57.382 57.345 0.086 0.000 2.632 350 W CB 0.441 29.921 29.460 0.034 0.000 1.504 350 W HN 0.570 nan 8.180 nan 0.000 0.757 351 G N 0.158 108.988 108.800 0.049 0.000 2.939 351 G HA2 0.275 4.235 3.960 -0.000 0.000 0.216 351 G HA3 0.275 4.235 3.960 -0.000 0.000 0.216 351 G C 0.183 175.027 174.900 -0.094 0.000 1.125 351 G CA 0.103 45.235 45.100 0.053 0.000 0.766 351 G HN 0.141 nan 8.290 nan 0.000 0.541 352 A N 0.087 122.777 122.820 -0.217 0.000 2.258 352 A HA 0.617 4.937 4.320 -0.000 0.000 0.316 352 A C -0.219 177.185 177.584 -0.301 0.000 1.279 352 A CA -0.757 51.092 52.037 -0.313 0.000 0.876 352 A CB 0.014 18.880 19.000 -0.224 0.000 1.170 352 A HN 0.675 nan 8.150 nan 0.000 0.520 353 Y N 1.236 121.457 120.300 -0.130 0.000 3.389 353 Y HA -0.313 4.237 4.550 -0.000 0.000 0.213 353 Y C 1.538 177.338 175.900 -0.167 0.000 1.272 353 Y CA 1.211 59.237 58.100 -0.124 0.000 1.444 353 Y CB -2.502 35.892 38.460 -0.109 0.000 1.445 353 Y HN 0.957 nan 8.280 nan 0.000 0.583 354 T N -4.576 109.907 114.554 -0.119 0.000 3.518 354 T HA 0.018 4.368 4.350 -0.000 0.000 0.211 354 T C 1.725 176.421 174.700 -0.007 0.000 0.940 354 T CA 0.264 62.292 62.100 -0.120 0.000 1.307 354 T CB -0.402 68.300 68.868 -0.277 0.000 1.392 354 T HN 0.314 nan 8.240 nan 0.000 0.382 355 N N 2.817 121.444 118.700 -0.120 0.000 2.223 355 N HA -0.121 4.619 4.740 -0.000 0.000 0.185 355 N C 2.073 177.585 175.510 0.004 0.000 1.016 355 N CA 1.739 54.669 53.050 -0.200 0.000 0.863 355 N CB -0.857 37.250 38.487 -0.634 0.000 0.983 355 N HN 0.569 nan 8.380 nan 0.000 0.429 356 V N -1.524 118.392 119.914 0.003 0.000 2.913 356 V HA -0.002 4.118 4.120 -0.000 0.000 0.260 356 V C 1.885 178.041 176.094 0.103 0.000 1.098 356 V CA 1.094 63.428 62.300 0.057 0.000 1.121 356 V CB -0.841 31.000 31.823 0.030 0.000 0.714 356 V HN 0.135 nan 8.190 nan 0.000 0.487 357 L N 1.547 122.843 121.223 0.121 0.000 2.700 357 L HA 0.243 4.583 4.340 -0.000 0.000 0.234 357 L C 1.185 178.180 176.870 0.208 0.000 1.156 357 L CA 0.296 55.230 54.840 0.156 0.000 0.946 357 L CB -0.041 42.118 42.059 0.166 0.000 1.216 357 L HN 0.486 nan 8.230 nan 0.000 0.493 358 T N -1.823 112.868 114.554 0.227 0.000 2.940 358 T HA 0.263 4.613 4.350 -0.000 0.000 0.309 358 T C 0.451 175.321 174.700 0.283 0.000 1.056 358 T CA -0.264 62.013 62.100 0.295 0.000 1.137 358 T CB 1.019 70.115 68.868 0.379 0.000 0.976 358 T HN 0.244 nan 8.240 nan 0.000 0.547 359 T N -1.211 113.539 114.554 0.327 0.000 2.940 359 T HA 0.561 4.911 4.350 -0.000 0.000 0.288 359 T C 0.782 175.667 174.700 0.308 0.000 1.045 359 T CA -0.391 61.889 62.100 0.300 0.000 1.018 359 T CB 1.589 70.655 68.868 0.331 0.000 1.151 359 T HN 0.852 nan 8.240 nan 0.000 0.529 360 S N 0.481 116.333 115.700 0.252 0.000 2.573 360 S HA 0.273 4.743 4.470 -0.000 0.000 0.244 360 S C 0.039 174.780 174.600 0.234 0.000 0.984 360 S CA -0.810 57.522 58.200 0.221 0.000 1.001 360 S CB -0.923 62.364 63.200 0.144 0.000 0.788 360 S HN 0.599 nan 8.310 nan 0.000 0.456 361 F N 3.479 123.484 119.950 0.092 0.000 2.623 361 F HA 0.190 4.717 4.527 -0.000 0.000 0.383 361 F C 0.899 176.716 175.800 0.029 0.000 1.077 361 F CA 0.076 58.069 58.000 -0.012 0.000 1.268 361 F CB -0.574 38.303 39.000 -0.205 0.000 1.053 361 F HN 0.343 nan 8.300 nan 0.000 0.571 362 N N 2.455 120.879 118.700 -0.459 0.000 2.900 362 N HA -0.206 4.534 4.740 -0.000 0.000 0.240 362 N C 0.835 176.033 175.510 -0.520 0.000 0.953 362 N CA 1.738 54.481 53.050 -0.512 0.000 0.950 362 N CB -1.531 36.739 38.487 -0.361 0.000 1.102 362 N HN 1.304 nan 8.380 nan 0.000 0.593 363 G N -2.784 105.836 108.800 -0.300 0.000 2.157 363 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 363 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 363 G C 0.233 174.941 174.900 -0.320 0.000 0.979 363 G CA 0.424 45.345 45.100 -0.299 0.000 0.650 363 G HN 0.355 nan 8.290 nan 0.000 0.529 364 F N -0.463 119.523 119.950 0.061 0.000 2.272 364 F HA 0.620 5.147 4.527 -0.000 0.000 0.316 364 F C 1.894 177.802 175.800 0.181 0.000 1.068 364 F CA 0.423 58.494 58.000 0.119 0.000 1.114 364 F CB 0.272 39.347 39.000 0.124 0.000 1.611 364 F HN 0.761 nan 8.300 nan 0.000 0.519 365 G N -0.435 108.652 108.800 0.479 0.000 2.176 365 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.232 365 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.232 365 G C -0.080 175.077 174.900 0.427 0.000 0.986 365 G CA -0.303 45.053 45.100 0.428 0.000 0.643 365 G HN 0.505 nan 8.290 nan 0.000 0.522 366 E N -0.356 120.054 120.200 0.351 0.000 2.349 366 E HA 0.614 4.964 4.350 -0.000 0.000 0.265 366 E C -0.112 176.717 176.600 0.381 0.000 1.064 366 E CA -0.245 56.305 56.400 0.249 0.000 0.886 366 E CB 0.705 30.505 29.700 0.167 0.000 1.036 366 E HN 0.706 nan 8.360 nan 0.000 0.413 367 Y N -1.500 118.955 120.300 0.258 0.000 2.624 367 Y HA 0.417 4.967 4.550 -0.000 0.000 0.334 367 Y C -1.220 174.838 175.900 0.264 0.000 1.155 367 Y CA -1.365 56.916 58.100 0.302 0.000 1.046 367 Y CB 1.064 39.756 38.460 0.387 0.000 1.316 367 Y HN 0.223 nan 8.280 nan 0.000 0.457 368 D N 0.992 121.647 120.400 0.425 0.000 2.385 368 D HA 0.641 5.281 4.640 -0.000 0.000 0.254 368 D C -1.022 175.501 176.300 0.372 0.000 1.053 368 D CA -0.449 53.691 54.000 0.233 0.000 0.992 368 D CB 2.659 43.520 40.800 0.100 0.000 1.145 368 D HN 0.440 nan 8.370 nan 0.000 0.523 369 V N 1.345 121.293 119.914 0.057 0.000 2.577 369 V HA 0.297 4.417 4.120 -0.000 0.000 0.303 369 V C -1.165 174.677 176.094 -0.421 0.000 1.042 369 V CA -0.806 61.468 62.300 -0.044 0.000 0.872 369 V CB 1.220 32.958 31.823 -0.140 0.000 0.998 369 V HN 0.403 nan 8.190 nan 0.000 0.423 370 Y N 3.112 123.263 120.300 -0.248 0.000 2.377 370 Y HA 0.639 5.189 4.550 -0.000 0.000 0.339 370 Y C -0.636 175.039 175.900 -0.374 0.000 1.011 370 Y CA -0.634 57.309 58.100 -0.260 0.000 1.093 370 Y CB 1.796 40.182 38.460 -0.124 0.000 1.201 370 Y HN 0.547 nan 8.280 nan 0.000 0.455 371 Y N 4.395 124.799 120.300 0.173 0.000 2.369 371 Y HA 0.475 5.025 4.550 -0.000 0.000 0.337 371 Y C 0.197 176.151 175.900 0.090 0.000 0.961 371 Y CA -1.258 56.904 58.100 0.103 0.000 1.186 371 Y CB 0.564 39.075 38.460 0.085 0.000 1.139 371 Y HN 0.442 nan 8.280 nan 0.000 0.494 372 I N 0.000 120.686 120.570 0.194 0.000 2.984 372 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 372 I CA 0.000 61.373 61.300 0.122 0.000 1.566 372 I CB 0.000 38.035 38.000 0.058 0.000 1.214 372 I HN 0.000 nan 8.210 nan 0.000 0.494