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 3l73_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAPNIRKSHP LLKMINNSLI DLPAPSNISA WWNFGSLLAV CLMTQILTGL DATA SEQUENCE LLAMHYTADT SLAFSSVAHT CRNVQYGWLI RNLHANGASF FFICIFLHIG DATA SEQUENCE RGLYYGSYLY KETWNTGVIL LLTLMATAFV GYVLPWGQMS FWGATVITNL DATA SEQUENCE FSAIPYIGHT LVEWAWGGFS VDNPTLTRFF ALHFLLPFAI AGITIIHLTF DATA SEQUENCE LHESGSNNPL GISSDSDKIP FHPYYSFKDI LGLTLMLTPF LTLALFSPNL DATA SEQUENCE LGDPENFTPA NPLVTPPHIK PEWYFLFAYA ILRSIPNKLG GVLALAASVL DATA SEQUENCE ILFLIPFLHK SKQRTMTFRP LSQTLFWLLV ANLLILTWIG SQPVEHPFII DATA SEQUENCE IGQMASLSYF TILLILFPTI GTLENKMLNY 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 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 A N 1.589 124.417 122.820 0.014 0.000 2.337 2 A HA 0.833 5.153 4.320 -0.000 0.000 0.331 2 A C -1.280 176.311 177.584 0.013 0.000 1.137 2 A CA -0.698 51.346 52.037 0.013 0.000 0.807 2 A CB 0.545 19.555 19.000 0.015 0.000 1.250 2 A HN 0.683 nan 8.150 nan 0.000 0.468 3 P HA -0.138 nan 4.420 nan 0.000 0.208 3 P C -0.068 177.238 177.300 0.010 0.000 1.180 3 P CA 1.200 64.306 63.100 0.009 0.000 0.935 3 P CB -0.437 31.268 31.700 0.008 0.000 0.785 4 N N 0.414 119.121 118.700 0.011 0.000 2.472 4 N HA 0.048 4.788 4.740 -0.000 0.000 0.277 4 N C 0.858 176.377 175.510 0.015 0.000 1.081 4 N CA -0.454 52.602 53.050 0.010 0.000 0.973 4 N CB 1.231 39.724 38.487 0.009 0.000 1.105 4 N HN -0.080 nan 8.380 nan 0.000 0.470 5 I N 0.607 121.183 120.570 0.010 0.000 3.164 5 I HA -0.109 4.061 4.170 -0.000 0.000 0.278 5 I C 2.053 178.187 176.117 0.027 0.000 1.320 5 I CA 0.666 61.977 61.300 0.018 0.000 1.422 5 I CB -1.254 36.738 38.000 -0.013 0.000 1.066 5 I HN 0.678 nan 8.210 nan 0.000 0.503 6 R N 1.293 121.804 120.500 0.019 0.000 2.246 6 R HA -0.014 4.325 4.340 -0.000 0.000 0.199 6 R C 1.715 178.039 176.300 0.039 0.000 0.984 6 R CA 0.585 56.699 56.100 0.023 0.000 1.015 6 R CB 0.362 30.669 30.300 0.011 0.000 0.930 6 R HN 0.293 nan 8.270 nan 0.000 0.475 7 K N -0.859 119.563 120.400 0.038 0.000 2.350 7 K HA 0.065 4.385 4.320 -0.000 0.000 0.196 7 K C 1.959 178.581 176.600 0.037 0.000 1.084 7 K CA 0.789 57.095 56.287 0.033 0.000 0.967 7 K CB 0.599 33.112 32.500 0.023 0.000 0.950 7 K HN 0.088 nan 8.250 nan 0.000 0.512 8 S N 0.330 116.059 115.700 0.048 0.000 2.348 8 S HA -0.107 4.363 4.470 -0.000 0.000 0.219 8 S C 0.927 175.564 174.600 0.061 0.000 1.033 8 S CA 0.306 58.534 58.200 0.046 0.000 0.974 8 S CB -0.744 62.483 63.200 0.044 0.000 0.868 8 S HN 0.313 nan 8.310 nan 0.000 0.459 9 H N 5.870 124.937 119.070 -0.005 0.000 3.195 9 H HA 0.091 4.647 4.556 -0.000 0.000 0.302 9 H C -1.396 173.928 175.328 -0.007 0.000 0.950 9 H CA -0.548 55.496 56.048 -0.006 0.000 1.398 9 H CB 0.667 30.425 29.762 -0.007 0.000 1.377 9 H HN 0.113 nan 8.280 nan 0.000 0.572 10 P HA -0.189 nan 4.420 nan 0.000 0.219 10 P C 1.064 178.238 177.300 -0.211 0.000 1.146 10 P CA 1.319 64.249 63.100 -0.283 0.000 0.808 10 P CB 0.504 32.033 31.700 -0.284 0.000 0.779 11 L N -1.508 119.558 121.223 -0.261 0.000 2.262 11 L HA 0.072 4.412 4.340 -0.000 0.000 0.197 11 L C 2.840 179.809 176.870 0.166 0.000 1.073 11 L CA 0.415 55.278 54.840 0.039 0.000 0.800 11 L CB -0.826 41.315 42.059 0.136 0.000 0.987 11 L HN -0.174 nan 8.230 nan 0.000 0.470 12 L N 0.543 121.992 121.223 0.377 0.000 2.043 12 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 12 L C 2.682 179.607 176.870 0.092 0.000 1.075 12 L CA 1.506 56.444 54.840 0.163 0.000 0.752 12 L CB -0.670 41.448 42.059 0.100 0.000 0.891 12 L HN 0.340 nan 8.230 nan 0.000 0.432 13 K N 0.538 120.994 120.400 0.094 0.000 2.113 13 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 13 K C 2.074 178.687 176.600 0.022 0.000 1.047 13 K CA 1.763 58.075 56.287 0.043 0.000 0.928 13 K CB -0.083 32.431 32.500 0.024 0.000 0.716 13 K HN 0.300 nan 8.250 nan 0.000 0.446 14 M N 0.304 119.917 119.600 0.021 0.000 2.156 14 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 14 M C 2.198 178.504 176.300 0.011 0.000 1.067 14 M CA 1.288 56.594 55.300 0.012 0.000 1.131 14 M CB -0.200 32.405 32.600 0.008 0.000 1.368 14 M HN 0.125 nan 8.290 nan 0.000 0.416 15 I N 0.440 121.020 120.570 0.017 0.000 2.252 15 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 15 I C 2.225 178.337 176.117 -0.008 0.000 1.102 15 I CA 1.299 62.602 61.300 0.004 0.000 1.385 15 I CB -0.618 37.388 38.000 0.010 0.000 1.064 15 I HN 0.388 nan 8.210 nan 0.000 0.414 16 N N 1.590 120.293 118.700 0.004 0.000 2.106 16 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 16 N C 1.335 176.838 175.510 -0.012 0.000 1.029 16 N CA 1.454 54.507 53.050 0.006 0.000 0.848 16 N CB -0.144 38.353 38.487 0.017 0.000 1.007 16 N HN 0.166 nan 8.380 nan 0.000 0.423 17 N N -0.584 118.103 118.700 -0.023 0.000 2.567 17 N HA -0.024 4.716 4.740 -0.000 0.000 0.195 17 N C 0.169 175.597 175.510 -0.136 0.000 1.242 17 N CA 0.808 53.824 53.050 -0.057 0.000 0.884 17 N CB 0.107 38.571 38.487 -0.039 0.000 1.007 17 N HN 0.477 nan 8.380 nan 0.000 0.450 18 S N -1.894 113.729 115.700 -0.127 0.000 2.820 18 S HA 0.302 4.772 4.470 -0.000 0.000 0.265 18 S C 0.593 175.013 174.600 -0.301 0.000 1.043 18 S CA -0.423 57.660 58.200 -0.194 0.000 1.245 18 S CB 0.185 63.422 63.200 0.062 0.000 1.187 18 S HN 0.124 nan 8.310 nan 0.000 0.673 19 L N 0.272 121.351 121.223 -0.240 0.000 3.826 19 L HA 0.532 4.872 4.340 -0.000 0.000 0.362 19 L C 0.366 177.315 176.870 0.132 0.000 1.235 19 L CA 0.229 54.880 54.840 -0.315 0.000 1.207 19 L CB 0.532 42.495 42.059 -0.160 0.000 1.518 19 L HN 0.242 nan 8.230 nan 0.000 0.628 20 I N -1.474 119.182 120.570 0.144 0.000 4.147 20 I HA 0.104 4.274 4.170 -0.000 0.000 0.278 20 I C 0.408 176.654 176.117 0.215 0.000 1.133 20 I CA 0.216 61.658 61.300 0.237 0.000 1.317 20 I CB 0.828 38.890 38.000 0.104 0.000 1.688 20 I HN -0.082 nan 8.210 nan 0.000 0.432 21 D N 1.492 121.963 120.400 0.119 0.000 2.363 21 D HA 0.192 4.832 4.640 -0.000 0.000 0.214 21 D C 0.195 176.542 176.300 0.077 0.000 1.093 21 D CA -0.046 54.012 54.000 0.097 0.000 0.837 21 D CB 0.470 41.303 40.800 0.056 0.000 0.948 21 D HN -0.009 nan 8.370 nan 0.000 0.507 22 L N 1.305 122.572 121.223 0.074 0.000 2.462 22 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 22 L C -2.504 174.425 176.870 0.099 0.000 1.166 22 L CA -1.246 53.601 54.840 0.011 0.000 0.880 22 L CB 0.487 42.484 42.059 -0.103 0.000 1.142 22 L HN -0.241 nan 8.230 nan 0.000 0.473 23 P HA 0.314 nan 4.420 nan 0.000 0.276 23 P C -1.350 176.003 177.300 0.089 0.000 1.253 23 P CA -0.010 63.137 63.100 0.078 0.000 0.766 23 P CB 1.071 32.793 31.700 0.037 0.000 0.845 24 A N 5.567 128.475 122.820 0.147 0.000 2.386 24 A HA 0.711 5.030 4.320 -0.000 0.000 0.311 24 A C -2.726 174.906 177.584 0.080 0.000 1.068 24 A CA -2.234 49.866 52.037 0.105 0.000 0.743 24 A CB 0.760 19.856 19.000 0.160 0.000 1.258 24 A HN 0.281 nan 8.150 nan 0.000 0.429 25 P HA 0.019 nan 4.420 nan 0.000 0.266 25 P C 0.956 178.257 177.300 0.002 0.000 1.195 25 P CA 0.449 63.513 63.100 -0.061 0.000 0.768 25 P CB 0.753 32.345 31.700 -0.179 0.000 0.838 26 S N 1.130 116.814 115.700 -0.026 0.000 2.515 26 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 26 S C 1.028 175.592 174.600 -0.059 0.000 0.987 26 S CA 0.605 58.773 58.200 -0.055 0.000 0.936 26 S CB -0.745 62.386 63.200 -0.115 0.000 0.766 26 S HN 0.584 nan 8.310 nan 0.000 0.528 27 N N 1.844 120.490 118.700 -0.091 0.000 2.275 27 N HA 0.137 4.877 4.740 -0.000 0.000 0.236 27 N C 0.200 175.582 175.510 -0.214 0.000 1.154 27 N CA -0.530 52.450 53.050 -0.117 0.000 0.866 27 N CB -0.368 38.055 38.487 -0.106 0.000 1.093 27 N HN 0.667 nan 8.380 nan 0.000 0.515 28 I N -0.174 120.224 120.570 -0.286 0.000 2.588 28 I HA 0.254 4.424 4.170 -0.000 0.000 0.283 28 I C 0.749 176.766 176.117 -0.167 0.000 1.119 28 I CA -0.771 60.176 61.300 -0.587 0.000 1.419 28 I CB 0.870 38.302 38.000 -0.945 0.000 1.394 28 I HN 0.022 nan 8.210 nan 0.000 0.562 29 S N 4.565 120.236 115.700 -0.049 0.000 2.607 29 S HA 0.556 5.026 4.470 -0.000 0.000 0.272 29 S C 1.331 176.054 174.600 0.205 0.000 1.166 29 S CA -0.215 58.075 58.200 0.150 0.000 1.021 29 S CB 1.072 64.429 63.200 0.262 0.000 1.113 29 S HN 0.864 nan 8.310 nan 0.000 0.531 30 A N -0.586 122.257 122.820 0.038 0.000 2.015 30 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 30 A C 1.714 179.238 177.584 -0.099 0.000 1.163 30 A CA 0.878 52.840 52.037 -0.126 0.000 0.646 30 A CB -1.311 17.505 19.000 -0.307 0.000 0.806 30 A HN 0.879 nan 8.150 nan 0.000 0.448 31 W N -1.343 120.171 121.300 0.356 0.000 2.480 31 W HA -0.103 4.557 4.660 -0.000 0.000 0.257 31 W C 1.590 178.259 176.519 0.250 0.000 1.235 31 W CA -0.113 57.469 57.345 0.396 0.000 1.218 31 W CB -0.158 29.465 29.460 0.271 0.000 1.131 31 W HN 0.459 nan 8.180 nan 0.000 0.606 32 W N 0.090 121.508 121.300 0.195 0.000 3.388 32 W HA 0.059 4.719 4.660 -0.000 0.000 0.324 32 W C 0.679 177.226 176.519 0.045 0.000 1.250 32 W CA 0.075 57.498 57.345 0.131 0.000 1.809 32 W CB -0.420 29.052 29.460 0.020 0.000 1.083 32 W HN -0.047 nan 8.180 nan 0.000 0.685 33 N N -0.328 118.372 118.700 -0.000 0.000 2.392 33 N HA -0.026 4.714 4.740 -0.000 0.000 0.177 33 N C 1.179 176.516 175.510 -0.289 0.000 1.066 33 N CA 0.676 53.613 53.050 -0.187 0.000 0.895 33 N CB -0.492 37.766 38.487 -0.383 0.000 0.988 33 N HN -0.089 nan 8.380 nan 0.000 0.457 34 F N 0.386 120.418 119.950 0.138 0.000 2.365 34 F HA 0.100 4.627 4.527 -0.000 0.000 0.300 34 F C 2.350 178.129 175.800 -0.036 0.000 1.090 34 F CA 0.666 58.709 58.000 0.072 0.000 1.408 34 F CB -0.889 38.202 39.000 0.151 0.000 1.060 34 F HN 0.046 nan 8.300 nan 0.000 0.534 35 G N 0.154 109.050 108.800 0.161 0.000 2.453 35 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.215 35 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.215 35 G C 1.835 176.723 174.900 -0.020 0.000 1.201 35 G CA 1.294 46.407 45.100 0.021 0.000 0.784 35 G HN 0.426 nan 8.290 nan 0.000 0.545 36 S N 0.897 116.627 115.700 0.050 0.000 2.370 36 S HA -0.051 4.419 4.470 -0.000 0.000 0.226 36 S C 2.369 176.958 174.600 -0.019 0.000 1.033 36 S CA 1.269 59.492 58.200 0.039 0.000 1.011 36 S CB -0.526 62.736 63.200 0.104 0.000 0.852 36 S HN 0.282 nan 8.310 nan 0.000 0.457 37 L N 0.955 122.165 121.223 -0.021 0.000 1.989 37 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 37 L C 2.735 179.537 176.870 -0.113 0.000 1.071 37 L CA 1.406 56.250 54.840 0.006 0.000 0.749 37 L CB -0.797 41.301 42.059 0.065 0.000 0.890 37 L HN 0.303 nan 8.230 nan 0.000 0.431 38 L N -0.407 120.685 121.223 -0.218 0.000 2.013 38 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 38 L C 2.898 179.491 176.870 -0.461 0.000 1.073 38 L CA 1.474 56.036 54.840 -0.464 0.000 0.753 38 L CB -0.773 41.025 42.059 -0.435 0.000 0.890 38 L HN 0.300 nan 8.230 nan 0.000 0.432 39 A N -0.314 122.361 122.820 -0.243 0.000 1.851 39 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 39 A C 2.303 179.790 177.584 -0.161 0.000 1.195 39 A CA 2.087 54.028 52.037 -0.161 0.000 0.622 39 A CB -1.031 17.926 19.000 -0.072 0.000 0.831 39 A HN 0.190 nan 8.150 nan 0.000 0.444 40 V N -0.885 118.955 119.914 -0.124 0.000 2.282 40 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 40 V C 2.695 178.693 176.094 -0.160 0.000 1.057 40 V CA 2.038 64.276 62.300 -0.104 0.000 1.032 40 V CB -1.339 30.444 31.823 -0.068 0.000 0.645 40 V HN 0.796 nan 8.190 nan 0.000 0.447 41 C N -0.316 118.837 119.300 -0.245 0.000 2.398 41 C HA -0.212 4.248 4.460 -0.000 0.000 0.276 41 C C 2.688 177.505 174.990 -0.289 0.000 1.222 41 C CA 1.711 60.525 59.018 -0.341 0.000 1.746 41 C CB -1.092 26.305 27.740 -0.572 0.000 2.039 41 C HN 0.621 nan 8.230 nan 0.000 0.470 42 L N 0.551 121.565 121.223 -0.348 0.000 2.046 42 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 42 L C 2.377 179.236 176.870 -0.018 0.000 1.077 42 L CA 2.187 57.014 54.840 -0.023 0.000 0.747 42 L CB -0.630 41.417 42.059 -0.020 0.000 0.896 42 L HN 0.374 nan 8.230 nan 0.000 0.432 43 M N -1.511 118.056 119.600 -0.055 0.000 2.132 43 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 43 M C 2.008 178.297 176.300 -0.020 0.000 1.065 43 M CA 2.161 57.443 55.300 -0.030 0.000 1.122 43 M CB -0.691 31.891 32.600 -0.030 0.000 1.365 43 M HN 0.275 nan 8.290 nan 0.000 0.411 44 T N -0.092 114.444 114.554 -0.029 0.000 2.720 44 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 44 T C 1.889 176.621 174.700 0.053 0.000 1.037 44 T CA 1.031 63.130 62.100 -0.002 0.000 1.144 44 T CB -0.242 68.607 68.868 -0.030 0.000 0.864 44 T HN 0.314 nan 8.240 nan 0.000 0.444 45 Q N 0.644 120.484 119.800 0.067 0.000 2.030 45 Q HA 0.023 4.363 4.340 -0.000 0.000 0.204 45 Q C 2.489 178.563 176.000 0.122 0.000 0.986 45 Q CA 1.296 57.179 55.803 0.133 0.000 0.843 45 Q CB -0.714 28.076 28.738 0.086 0.000 0.904 45 Q HN 0.543 nan 8.270 nan 0.000 0.420 46 I N 0.272 120.833 120.570 -0.016 0.000 2.163 46 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 46 I C 2.270 178.348 176.117 -0.064 0.000 1.085 46 I CA 0.711 61.940 61.300 -0.118 0.000 1.347 46 I CB -0.311 37.602 38.000 -0.145 0.000 1.044 46 I HN 0.161 nan 8.210 nan 0.000 0.408 47 L N 0.655 121.869 121.223 -0.016 0.000 1.976 47 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 47 L C 2.829 179.686 176.870 -0.022 0.000 1.071 47 L CA 2.721 57.554 54.840 -0.011 0.000 0.746 47 L CB -1.151 40.907 42.059 -0.002 0.000 0.890 47 L HN 0.472 nan 8.230 nan 0.000 0.432 48 T N -3.402 111.161 114.554 0.014 0.000 2.746 48 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 48 T C 1.996 176.588 174.700 -0.179 0.000 1.039 48 T CA 1.039 63.136 62.100 -0.005 0.000 1.142 48 T CB -1.612 67.336 68.868 0.133 0.000 0.866 48 T HN 0.405 nan 8.240 nan 0.000 0.444 49 G N 1.658 110.298 108.800 -0.268 0.000 2.440 49 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 49 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 49 G C 1.567 176.275 174.900 -0.320 0.000 1.154 49 G CA 0.915 45.681 45.100 -0.557 0.000 0.767 49 G HN 0.524 nan 8.290 nan 0.000 0.552 50 L N -0.243 120.848 121.223 -0.219 0.000 2.017 50 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 50 L C 2.929 179.771 176.870 -0.047 0.000 1.073 50 L CA 0.576 55.327 54.840 -0.148 0.000 0.745 50 L CB -0.406 41.612 42.059 -0.067 0.000 0.894 50 L HN 0.174 nan 8.230 nan 0.000 0.432 51 L N -0.541 120.661 121.223 -0.035 0.000 2.081 51 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 51 L C 2.440 179.361 176.870 0.086 0.000 1.080 51 L CA 1.247 56.104 54.840 0.029 0.000 0.754 51 L CB -0.298 41.769 42.059 0.013 0.000 0.893 51 L HN 0.317 nan 8.230 nan 0.000 0.433 52 L N -1.177 120.043 121.223 -0.005 0.000 2.131 52 L HA -0.080 4.259 4.340 -0.000 0.000 0.206 52 L C 2.692 179.635 176.870 0.122 0.000 1.087 52 L CA 0.830 55.692 54.840 0.036 0.000 0.767 52 L CB -0.598 41.389 42.059 -0.119 0.000 0.917 52 L HN 0.208 nan 8.230 nan 0.000 0.441 53 A N -0.291 122.587 122.820 0.098 0.000 2.121 53 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 53 A C 2.067 179.806 177.584 0.257 0.000 1.154 53 A CA 1.004 53.206 52.037 0.275 0.000 0.679 53 A CB -0.404 18.779 19.000 0.305 0.000 0.795 53 A HN 0.387 nan 8.150 nan 0.000 0.458 54 M N -1.320 118.345 119.600 0.108 0.000 2.628 54 M HA 0.060 4.540 4.480 -0.000 0.000 0.232 54 M C 0.552 176.673 176.300 -0.299 0.000 1.128 54 M CA 0.784 56.037 55.300 -0.078 0.000 1.040 54 M CB -0.133 32.351 32.600 -0.193 0.000 1.608 54 M HN 0.560 nan 8.290 nan 0.000 0.507 55 H N -3.110 116.049 119.070 0.148 0.000 3.540 55 H HA 0.165 4.721 4.556 -0.000 0.000 0.259 55 H C -0.615 174.804 175.328 0.152 0.000 1.197 55 H CA -0.405 55.733 56.048 0.150 0.000 1.136 55 H CB 0.722 30.573 29.762 0.147 0.000 1.605 55 H HN 0.202 nan 8.280 nan 0.000 0.657 56 Y N 1.477 121.821 120.300 0.074 0.000 2.316 56 Y HA 0.470 5.019 4.550 -0.000 0.000 0.324 56 Y C -0.331 175.479 175.900 -0.152 0.000 1.267 56 Y CA -0.205 57.858 58.100 -0.063 0.000 1.311 56 Y CB 1.245 39.606 38.460 -0.166 0.000 1.267 56 Y HN -0.122 nan 8.280 nan 0.000 0.516 57 T N 4.678 118.612 114.554 -1.033 0.000 2.881 57 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 57 T C -0.867 173.090 174.700 -1.239 0.000 0.990 57 T CA -0.482 61.134 62.100 -0.807 0.000 0.976 57 T CB 0.858 69.458 68.868 -0.447 0.000 0.970 57 T HN 0.772 nan 8.240 nan 0.000 0.438 58 A N 3.493 125.813 122.820 -0.833 0.000 3.004 58 A HA 0.557 4.877 4.320 -0.000 0.000 0.286 58 A C -0.079 177.291 177.584 -0.357 0.000 1.632 58 A CA -0.208 51.513 52.037 -0.525 0.000 1.339 58 A CB -0.599 18.310 19.000 -0.151 0.000 1.136 58 A HN 0.823 nan 8.150 nan 0.000 0.577 59 D N 0.273 120.414 120.400 -0.430 0.000 2.977 59 D HA 0.298 4.938 4.640 -0.000 0.000 0.220 59 D C 1.363 177.409 176.300 -0.423 0.000 1.267 59 D CA 0.281 54.070 54.000 -0.352 0.000 0.884 59 D CB 1.291 41.936 40.800 -0.259 0.000 1.667 59 D HN 0.229 nan 8.370 nan 0.000 0.536 60 T N 0.261 114.509 114.554 -0.510 0.000 2.680 60 T HA -0.292 4.058 4.350 -0.000 0.000 0.268 60 T C 1.863 176.415 174.700 -0.247 0.000 1.033 60 T CA 1.879 63.618 62.100 -0.601 0.000 1.152 60 T CB -0.614 68.015 68.868 -0.398 0.000 0.859 60 T HN 0.369 nan 8.240 nan 0.000 0.452 61 S N 0.765 116.363 115.700 -0.169 0.000 2.555 61 S HA 0.205 4.675 4.470 -0.000 0.000 0.230 61 S C 1.602 176.155 174.600 -0.079 0.000 0.978 61 S CA 0.448 58.595 58.200 -0.088 0.000 0.934 61 S CB -0.528 62.622 63.200 -0.082 0.000 0.766 61 S HN 0.648 nan 8.310 nan 0.000 0.533 62 L N -0.833 120.308 121.223 -0.136 0.000 3.128 62 L HA 0.465 4.805 4.340 -0.000 0.000 0.277 62 L C 2.438 179.213 176.870 -0.159 0.000 1.171 62 L CA 0.422 55.183 54.840 -0.132 0.000 1.008 62 L CB -0.387 41.562 42.059 -0.182 0.000 1.442 62 L HN 0.268 nan 8.230 nan 0.000 0.584 63 A N 1.157 123.856 122.820 -0.202 0.000 1.849 63 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 63 A C 2.045 179.673 177.584 0.072 0.000 1.202 63 A CA 2.045 53.975 52.037 -0.178 0.000 0.629 63 A CB -0.933 18.012 19.000 -0.092 0.000 0.834 63 A HN 0.358 nan 8.150 nan 0.000 0.447 64 F N 1.914 121.908 119.950 0.072 0.000 2.087 64 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 64 F C 2.791 178.620 175.800 0.049 0.000 1.100 64 F CA 2.545 60.599 58.000 0.090 0.000 1.226 64 F CB -0.208 38.855 39.000 0.105 0.000 0.983 64 F HN 0.326 nan 8.300 nan 0.000 0.479 65 S N -0.772 115.056 115.700 0.214 0.000 2.461 65 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 65 S C 2.145 176.773 174.600 0.046 0.000 1.005 65 S CA 0.729 59.003 58.200 0.124 0.000 0.942 65 S CB -1.021 62.263 63.200 0.141 0.000 0.776 65 S HN 0.547 nan 8.310 nan 0.000 0.514 66 S N 1.881 117.582 115.700 0.002 0.000 2.368 66 S HA -0.044 4.425 4.470 -0.000 0.000 0.224 66 S C 1.825 176.493 174.600 0.113 0.000 1.029 66 S CA 1.018 59.233 58.200 0.025 0.000 0.988 66 S CB -1.060 62.066 63.200 -0.124 0.000 0.838 66 S HN 0.355 nan 8.310 nan 0.000 0.462 67 V N 2.570 122.514 119.914 0.049 0.000 2.343 67 V HA -0.077 4.042 4.120 -0.000 0.000 0.247 67 V C 3.155 179.212 176.094 -0.062 0.000 1.051 67 V CA 1.670 63.974 62.300 0.007 0.000 1.036 67 V CB -1.467 30.304 31.823 -0.087 0.000 0.654 67 V HN 0.682 nan 8.190 nan 0.000 0.451 68 A N -0.591 122.158 122.820 -0.118 0.000 1.930 68 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 68 A C 2.253 179.842 177.584 0.008 0.000 1.175 68 A CA 1.712 53.696 52.037 -0.089 0.000 0.627 68 A CB -0.833 18.113 19.000 -0.090 0.000 0.815 68 A HN 0.745 nan 8.150 nan 0.000 0.443 69 H N 0.073 119.123 119.070 -0.032 0.000 2.389 69 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 69 H C 1.763 177.072 175.328 -0.031 0.000 1.081 69 H CA 1.948 57.986 56.048 -0.016 0.000 1.345 69 H CB -0.305 29.453 29.762 -0.005 0.000 1.393 69 H HN 0.385 nan 8.280 nan 0.000 0.520 70 T N 0.404 114.867 114.554 -0.151 0.000 2.746 70 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 70 T C 2.435 177.024 174.700 -0.185 0.000 1.039 70 T CA 1.456 63.410 62.100 -0.242 0.000 1.142 70 T CB -0.589 68.242 68.868 -0.061 0.000 0.866 70 T HN 0.486 nan 8.240 nan 0.000 0.444 71 C N 1.035 120.293 119.300 -0.071 0.000 2.457 71 C HA 0.105 4.565 4.460 -0.000 0.000 0.278 71 C C 2.839 177.847 174.990 0.031 0.000 1.309 71 C CA 0.166 59.203 59.018 0.033 0.000 1.735 71 C CB -0.888 26.889 27.740 0.062 0.000 1.992 71 C HN 0.515 nan 8.230 nan 0.000 0.493 72 R N 0.836 121.313 120.500 -0.039 0.000 2.161 72 R HA 0.033 4.373 4.340 -0.000 0.000 0.213 72 R C 1.427 177.678 176.300 -0.082 0.000 1.055 72 R CA 0.889 56.964 56.100 -0.041 0.000 0.996 72 R CB -0.057 30.233 30.300 -0.016 0.000 0.901 72 R HN 0.598 nan 8.270 nan 0.000 0.456 73 N N -0.497 118.088 118.700 -0.193 0.000 2.503 73 N HA 0.044 4.784 4.740 -0.000 0.000 0.210 73 N C 0.094 175.465 175.510 -0.231 0.000 1.077 73 N CA 0.179 53.107 53.050 -0.203 0.000 0.855 73 N CB 0.533 38.881 38.487 -0.232 0.000 1.323 73 N HN -0.148 nan 8.380 nan 0.000 0.452 74 V N 3.990 123.690 119.914 -0.357 0.000 2.585 74 V HA -0.009 4.111 4.120 -0.000 0.000 0.296 74 V C 0.451 176.429 176.094 -0.194 0.000 1.035 74 V CA -0.219 61.884 62.300 -0.329 0.000 1.084 74 V CB 0.586 32.068 31.823 -0.568 0.000 0.953 74 V HN 0.187 nan 8.190 nan 0.000 0.483 75 Q N 5.191 124.914 119.800 -0.128 0.000 2.256 75 Q HA 0.003 4.343 4.340 -0.000 0.000 0.281 75 Q C 0.098 176.063 176.000 -0.058 0.000 1.162 75 Q CA 0.509 56.245 55.803 -0.112 0.000 0.943 75 Q CB -0.606 28.151 28.738 0.032 0.000 1.195 75 Q HN 0.811 nan 8.270 nan 0.000 0.403 76 Y N -0.317 119.894 120.300 -0.149 0.000 4.798 76 Y HA -0.322 4.228 4.550 -0.000 0.000 0.237 76 Y C 1.569 177.168 175.900 -0.501 0.000 1.017 76 Y CA 0.591 58.417 58.100 -0.457 0.000 2.010 76 Y CB -1.809 36.425 38.460 -0.376 0.000 1.582 76 Y HN 0.726 nan 8.280 nan 0.000 0.621 77 G N 0.874 109.550 108.800 -0.206 0.000 2.440 77 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 77 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 77 G C 1.368 176.198 174.900 -0.117 0.000 1.154 77 G CA 1.131 46.132 45.100 -0.165 0.000 0.767 77 G HN 0.812 nan 8.290 nan 0.000 0.552 78 W N 0.644 121.911 121.300 -0.055 0.000 2.342 78 W HA -0.037 4.623 4.660 -0.000 0.000 0.297 78 W C 1.759 178.283 176.519 0.008 0.000 1.213 78 W CA 0.881 58.209 57.345 -0.028 0.000 1.251 78 W CB -1.087 28.349 29.460 -0.041 0.000 1.136 78 W HN 0.205 nan 8.180 nan 0.000 0.526 79 L N 1.872 122.479 121.223 -1.027 0.000 2.023 79 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 79 L C 2.552 179.212 176.870 -0.351 0.000 1.073 79 L CA 1.795 56.066 54.840 -0.949 0.000 0.745 79 L CB -1.180 40.148 42.059 -1.218 0.000 0.900 79 L HN -0.077 nan 8.230 nan 0.000 0.435 80 I N -0.560 119.842 120.570 -0.280 0.000 2.208 80 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 80 I C 2.714 178.821 176.117 -0.017 0.000 1.097 80 I CA 1.072 62.300 61.300 -0.120 0.000 1.363 80 I CB -0.499 37.442 38.000 -0.098 0.000 1.051 80 I HN 0.319 nan 8.210 nan 0.000 0.413 81 R N 1.458 121.954 120.500 -0.006 0.000 2.073 81 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 81 R C 1.840 178.216 176.300 0.127 0.000 1.134 81 R CA 1.943 58.086 56.100 0.072 0.000 0.952 81 R CB -0.980 29.360 30.300 0.067 0.000 0.850 81 R HN 0.511 nan 8.270 nan 0.000 0.433 82 N N 0.214 118.982 118.700 0.114 0.000 2.025 82 N HA -0.179 4.561 4.740 -0.000 0.000 0.194 82 N C 2.060 177.648 175.510 0.130 0.000 1.044 82 N CA 1.562 54.695 53.050 0.138 0.000 0.851 82 N CB -0.238 38.337 38.487 0.146 0.000 1.036 82 N HN 0.110 nan 8.380 nan 0.000 0.422 83 L N 0.218 121.475 121.223 0.056 0.000 2.021 83 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 83 L C 2.515 179.551 176.870 0.276 0.000 1.074 83 L CA 1.513 56.413 54.840 0.101 0.000 0.760 83 L CB -0.700 41.367 42.059 0.014 0.000 0.889 83 L HN 0.353 nan 8.230 nan 0.000 0.433 84 H N -0.369 118.777 119.070 0.126 0.000 2.293 84 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 84 H C 2.125 177.560 175.328 0.179 0.000 1.082 84 H CA 1.735 57.863 56.048 0.134 0.000 1.308 84 H CB -0.036 29.776 29.762 0.082 0.000 1.375 84 H HN 0.312 nan 8.280 nan 0.000 0.495 85 A N 0.172 123.122 122.820 0.216 0.000 1.877 85 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 85 A C 2.226 179.950 177.584 0.233 0.000 1.186 85 A CA 2.011 54.160 52.037 0.186 0.000 0.620 85 A CB -0.665 18.457 19.000 0.204 0.000 0.822 85 A HN 0.635 nan 8.150 nan 0.000 0.443 86 N N -0.335 118.552 118.700 0.312 0.000 2.270 86 N HA 0.015 4.755 4.740 -0.000 0.000 0.181 86 N C 1.750 177.542 175.510 0.470 0.000 1.016 86 N CA 0.940 54.258 53.050 0.446 0.000 0.870 86 N CB -0.303 38.496 38.487 0.520 0.000 0.979 86 N HN 0.466 nan 8.380 nan 0.000 0.431 87 G N 0.575 109.612 108.800 0.396 0.000 2.475 87 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 87 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 87 G C 1.568 176.531 174.900 0.105 0.000 1.125 87 G CA 0.974 46.138 45.100 0.107 0.000 0.755 87 G HN 0.394 nan 8.290 nan 0.000 0.565 88 A N 0.788 123.667 122.820 0.099 0.000 1.883 88 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 88 A C 2.726 180.419 177.584 0.180 0.000 1.186 88 A CA 2.378 54.451 52.037 0.060 0.000 0.624 88 A CB -0.767 18.262 19.000 0.049 0.000 0.822 88 A HN 0.323 nan 8.150 nan 0.000 0.444 89 S N -1.396 114.516 115.700 0.353 0.000 2.368 89 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 89 S C 1.652 176.546 174.600 0.490 0.000 1.030 89 S CA 1.388 59.934 58.200 0.576 0.000 0.999 89 S CB -0.527 63.161 63.200 0.814 0.000 0.844 89 S HN 0.598 nan 8.310 nan 0.000 0.459 90 F N 1.326 121.353 119.950 0.129 0.000 2.126 90 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 90 F C 1.886 177.685 175.800 -0.002 0.000 1.096 90 F CA 1.322 59.293 58.000 -0.048 0.000 1.255 90 F CB -0.364 38.329 39.000 -0.511 0.000 0.997 90 F HN 0.163 nan 8.300 nan 0.000 0.479 91 F N 0.001 119.955 119.950 0.007 0.000 2.095 91 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 91 F C 2.070 177.603 175.800 -0.446 0.000 1.104 91 F CA 1.803 59.665 58.000 -0.230 0.000 1.232 91 F CB -1.046 37.740 39.000 -0.356 0.000 0.987 91 F HN -0.021 nan 8.300 nan 0.000 0.475 92 F N -0.221 119.630 119.950 -0.164 0.000 2.146 92 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 92 F C 2.413 177.942 175.800 -0.453 0.000 1.096 92 F CA 1.247 58.906 58.000 -0.569 0.000 1.275 92 F CB -0.652 37.831 39.000 -0.861 0.000 1.008 92 F HN -0.109 nan 8.300 nan 0.000 0.480 93 I N -0.878 119.835 120.570 0.238 0.000 2.118 93 I HA -0.403 3.767 4.170 -0.000 0.000 0.241 93 I C 2.470 178.549 176.117 -0.064 0.000 1.070 93 I CA 1.308 62.755 61.300 0.245 0.000 1.327 93 I CB -0.681 37.382 38.000 0.105 0.000 1.034 93 I HN 0.243 nan 8.210 nan 0.000 0.405 94 C N 0.402 119.563 119.300 -0.231 0.000 2.413 94 C HA -0.198 4.262 4.460 -0.000 0.000 0.276 94 C C 2.775 177.663 174.990 -0.169 0.000 1.248 94 C CA 0.733 59.616 59.018 -0.226 0.000 1.742 94 C CB -0.789 26.789 27.740 -0.269 0.000 2.017 94 C HN 0.488 nan 8.230 nan 0.000 0.481 95 I N -0.157 120.278 120.570 -0.226 0.000 2.361 95 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 95 I C 1.957 178.035 176.117 -0.064 0.000 1.133 95 I CA 1.593 62.779 61.300 -0.190 0.000 1.413 95 I CB -0.143 37.654 38.000 -0.338 0.000 1.073 95 I HN 0.196 nan 8.210 nan 0.000 0.424 96 F N 0.452 120.432 119.950 0.050 0.000 2.206 96 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 96 F C 2.182 177.961 175.800 -0.035 0.000 1.090 96 F CA 1.072 59.092 58.000 0.034 0.000 1.323 96 F CB -1.030 38.025 39.000 0.092 0.000 1.028 96 F HN -0.019 nan 8.300 nan 0.000 0.492 97 L N -1.052 120.180 121.223 0.015 0.000 2.093 97 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 97 L C 2.482 179.302 176.870 -0.084 0.000 1.085 97 L CA 1.516 56.244 54.840 -0.186 0.000 0.755 97 L CB -0.922 40.640 42.059 -0.828 0.000 0.904 97 L HN 0.166 nan 8.230 nan 0.000 0.435 98 H N 0.601 119.596 119.070 -0.125 0.000 2.321 98 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 98 H C 2.208 177.567 175.328 0.051 0.000 1.087 98 H CA 1.946 58.017 56.048 0.038 0.000 1.319 98 H CB -0.018 29.773 29.762 0.050 0.000 1.379 98 H HN 0.147 nan 8.280 nan 0.000 0.501 99 I N -0.235 120.406 120.570 0.118 0.000 2.179 99 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 99 I C 2.769 178.966 176.117 0.132 0.000 1.088 99 I CA 1.219 62.574 61.300 0.092 0.000 1.357 99 I CB -0.737 37.333 38.000 0.116 0.000 1.051 99 I HN 0.473 nan 8.210 nan 0.000 0.409 100 G N 0.980 109.839 108.800 0.097 0.000 2.514 100 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.217 100 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.217 100 G C 1.771 176.694 174.900 0.038 0.000 1.198 100 G CA 0.844 46.000 45.100 0.093 0.000 0.780 100 G HN 0.194 nan 8.290 nan 0.000 0.565 101 R N 1.325 121.789 120.500 -0.061 0.000 2.140 101 R HA -0.134 4.206 4.340 -0.000 0.000 0.250 101 R C 2.645 178.930 176.300 -0.025 0.000 1.150 101 R CA 2.370 58.417 56.100 -0.089 0.000 0.966 101 R CB -1.392 28.860 30.300 -0.080 0.000 0.869 101 R HN 0.336 nan 8.270 nan 0.000 0.445 102 G N 0.932 109.725 108.800 -0.012 0.000 2.422 102 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 102 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 102 G C 1.468 176.434 174.900 0.109 0.000 1.140 102 G CA 0.604 45.751 45.100 0.079 0.000 0.775 102 G HN 0.364 nan 8.290 nan 0.000 0.545 103 L N -0.595 120.733 121.223 0.176 0.000 2.044 103 L HA 0.146 4.486 4.340 -0.000 0.000 0.205 103 L C 2.430 179.271 176.870 -0.049 0.000 1.075 103 L CA 1.424 56.345 54.840 0.135 0.000 0.747 103 L CB -0.890 41.266 42.059 0.161 0.000 0.903 103 L HN 0.311 nan 8.230 nan 0.000 0.435 104 Y N -1.194 118.859 120.300 -0.413 0.000 2.421 104 Y HA -0.213 4.337 4.550 -0.000 0.000 0.292 104 Y C 1.012 176.429 175.900 -0.806 0.000 1.136 104 Y CA 1.590 59.125 58.100 -0.942 0.000 1.255 104 Y CB -0.053 37.487 38.460 -1.533 0.000 0.991 104 Y HN 0.318 nan 8.280 nan 0.000 0.552 105 Y N -0.773 119.380 120.300 -0.244 0.000 2.660 105 Y HA 0.331 4.881 4.550 -0.000 0.000 0.254 105 Y C 1.469 177.146 175.900 -0.371 0.000 1.176 105 Y CA -0.131 57.831 58.100 -0.230 0.000 1.195 105 Y CB 0.562 39.026 38.460 0.007 0.000 1.190 105 Y HN 0.065 nan 8.280 nan 0.000 0.535 106 G N 0.289 108.823 108.800 -0.442 0.000 2.341 106 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.292 106 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.292 106 G C 1.045 175.230 174.900 -1.193 0.000 1.021 106 G CA 0.830 45.249 45.100 -1.135 0.000 0.905 106 G HN 0.426 nan 8.290 nan 0.000 0.508 107 S N -0.605 114.655 115.700 -0.734 0.000 2.402 107 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 107 S C 1.948 176.231 174.600 -0.527 0.000 1.021 107 S CA 1.744 59.643 58.200 -0.502 0.000 0.974 107 S CB -0.386 62.733 63.200 -0.136 0.000 0.800 107 S HN 1.006 nan 8.310 nan 0.000 0.484 108 Y N 1.186 121.212 120.300 -0.457 0.000 2.556 108 Y HA 0.096 4.645 4.550 -0.000 0.000 0.290 108 Y C 1.427 177.020 175.900 -0.512 0.000 1.149 108 Y CA 0.101 57.756 58.100 -0.740 0.000 1.329 108 Y CB -1.116 36.184 38.460 -1.933 0.000 0.975 108 Y HN 0.143 nan 8.280 nan 0.000 0.561 109 L N -0.516 120.264 121.223 -0.738 0.000 2.622 109 L HA -0.103 4.237 4.340 -0.000 0.000 0.233 109 L C 0.234 177.000 176.870 -0.173 0.000 1.156 109 L CA 0.473 55.036 54.840 -0.461 0.000 0.866 109 L CB -0.439 41.252 42.059 -0.614 0.000 0.980 109 L HN 0.261 nan 8.230 nan 0.000 0.448 110 Y N 0.540 120.757 120.300 -0.138 0.000 2.832 110 Y HA 0.126 4.676 4.550 -0.000 0.000 0.372 110 Y C 1.449 177.357 175.900 0.014 0.000 1.238 110 Y CA -1.190 56.886 58.100 -0.039 0.000 1.713 110 Y CB -0.712 37.748 38.460 0.000 0.000 1.809 110 Y HN 0.032 nan 8.280 nan 0.000 0.472 111 K N 0.255 120.729 120.400 0.123 0.000 2.081 111 K HA -0.341 3.979 4.320 -0.000 0.000 0.222 111 K C 1.394 178.040 176.600 0.077 0.000 1.055 111 K CA 2.663 59.003 56.287 0.088 0.000 0.954 111 K CB 0.102 32.606 32.500 0.007 0.000 0.732 111 K HN 0.474 nan 8.250 nan 0.000 0.458 112 E N -0.326 119.801 120.200 -0.122 0.000 2.106 112 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 112 E C 2.063 178.479 176.600 -0.306 0.000 0.984 112 E CA 1.569 57.678 56.400 -0.485 0.000 0.806 112 E CB -0.210 28.631 29.700 -1.431 0.000 0.750 112 E HN 0.264 nan 8.360 nan 0.000 0.458 113 T N 0.694 115.201 114.554 -0.079 0.000 2.746 113 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 113 T C 1.232 176.079 174.700 0.245 0.000 1.039 113 T CA 1.107 63.235 62.100 0.048 0.000 1.142 113 T CB -0.351 68.527 68.868 0.017 0.000 0.866 113 T HN 0.393 nan 8.240 nan 0.000 0.444 114 W N 2.668 124.025 121.300 0.096 0.000 2.353 114 W HA -0.186 4.474 4.660 -0.000 0.000 0.319 114 W C 1.905 178.507 176.519 0.138 0.000 1.207 114 W CA 1.200 58.624 57.345 0.131 0.000 1.291 114 W CB -0.480 29.038 29.460 0.097 0.000 1.159 114 W HN 0.225 nan 8.180 nan 0.000 0.478 115 N N 0.168 119.016 118.700 0.246 0.000 2.104 115 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 115 N C 1.765 177.360 175.510 0.143 0.000 1.024 115 N CA 3.035 56.236 53.050 0.252 0.000 0.853 115 N CB -1.186 37.478 38.487 0.296 0.000 1.008 115 N HN 0.282 nan 8.380 nan 0.000 0.424 116 T N -1.631 112.995 114.554 0.119 0.000 2.759 116 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 116 T C 2.111 176.806 174.700 -0.008 0.000 1.042 116 T CA 1.454 63.636 62.100 0.136 0.000 1.140 116 T CB -0.989 68.048 68.868 0.282 0.000 0.864 116 T HN 0.235 nan 8.240 nan 0.000 0.455 117 G N 1.308 110.081 108.800 -0.046 0.000 2.446 117 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 117 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 117 G C 1.663 176.347 174.900 -0.360 0.000 1.168 117 G CA 1.059 45.970 45.100 -0.314 0.000 0.771 117 G HN 0.510 nan 8.290 nan 0.000 0.551 118 V N 1.204 120.855 119.914 -0.438 0.000 2.407 118 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 118 V C 2.742 178.686 176.094 -0.251 0.000 1.055 118 V CA 1.384 63.389 62.300 -0.493 0.000 1.049 118 V CB -0.392 30.881 31.823 -0.918 0.000 0.662 118 V HN 0.398 nan 8.190 nan 0.000 0.455 119 I N -0.613 119.903 120.570 -0.089 0.000 2.394 119 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 119 I C 2.332 178.406 176.117 -0.071 0.000 1.136 119 I CA 1.421 62.719 61.300 -0.003 0.000 1.425 119 I CB -0.223 37.820 38.000 0.071 0.000 1.079 119 I HN 0.288 nan 8.210 nan 0.000 0.425 120 L N -0.097 121.044 121.223 -0.136 0.000 2.046 120 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 120 L C 2.558 179.327 176.870 -0.168 0.000 1.077 120 L CA 0.997 55.739 54.840 -0.163 0.000 0.747 120 L CB -0.438 41.471 42.059 -0.250 0.000 0.896 120 L HN 0.278 nan 8.230 nan 0.000 0.432 121 L N -0.102 121.016 121.223 -0.174 0.000 1.994 121 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 121 L C 2.337 179.162 176.870 -0.075 0.000 1.071 121 L CA 1.794 56.552 54.840 -0.138 0.000 0.745 121 L CB -0.538 41.453 42.059 -0.113 0.000 0.892 121 L HN 0.087 nan 8.230 nan 0.000 0.431 122 L N -1.034 120.151 121.223 -0.064 0.000 1.989 122 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 122 L C 2.398 179.253 176.870 -0.025 0.000 1.071 122 L CA 2.031 56.857 54.840 -0.023 0.000 0.749 122 L CB -1.330 40.724 42.059 -0.008 0.000 0.890 122 L HN 0.322 nan 8.230 nan 0.000 0.431 123 T N 0.419 114.943 114.554 -0.049 0.000 2.720 123 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 123 T C 1.819 176.465 174.700 -0.090 0.000 1.037 123 T CA 1.613 63.680 62.100 -0.054 0.000 1.144 123 T CB -0.363 68.468 68.868 -0.061 0.000 0.864 123 T HN 0.161 nan 8.240 nan 0.000 0.444 124 L N 0.953 122.072 121.223 -0.173 0.000 2.012 124 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 124 L C 2.305 179.113 176.870 -0.104 0.000 1.073 124 L CA 1.817 56.462 54.840 -0.324 0.000 0.748 124 L CB -0.778 40.921 42.059 -0.599 0.000 0.891 124 L HN 0.265 nan 8.230 nan 0.000 0.431 125 M N -0.684 118.973 119.600 0.095 0.000 2.073 125 M HA -0.253 4.227 4.480 -0.000 0.000 0.258 125 M C 2.328 178.813 176.300 0.309 0.000 1.070 125 M CA 2.209 57.738 55.300 0.381 0.000 1.103 125 M CB -0.746 31.994 32.600 0.234 0.000 1.321 125 M HN 0.485 nan 8.290 nan 0.000 0.405 126 A N -0.084 122.813 122.820 0.130 0.000 1.883 126 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 126 A C 2.187 179.873 177.584 0.171 0.000 1.186 126 A CA 2.424 54.530 52.037 0.115 0.000 0.624 126 A CB -1.317 17.702 19.000 0.033 0.000 0.822 126 A HN 0.512 nan 8.150 nan 0.000 0.444 127 T N 0.407 115.021 114.554 0.100 0.000 2.635 127 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 127 T C 2.218 177.068 174.700 0.251 0.000 1.040 127 T CA 2.103 64.274 62.100 0.118 0.000 1.156 127 T CB -0.587 68.239 68.868 -0.070 0.000 0.863 127 T HN 0.650 nan 8.240 nan 0.000 0.430 128 A N 0.757 123.702 122.820 0.208 0.000 1.902 128 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 128 A C 2.042 179.787 177.584 0.268 0.000 1.181 128 A CA 1.413 53.582 52.037 0.220 0.000 0.623 128 A CB -1.038 18.082 19.000 0.201 0.000 0.818 128 A HN 0.487 nan 8.150 nan 0.000 0.443 129 F N 1.098 121.200 119.950 0.253 0.000 2.126 129 F HA -0.229 4.297 4.527 -0.000 0.000 0.299 129 F C 2.300 178.175 175.800 0.124 0.000 1.096 129 F CA 2.268 60.415 58.000 0.244 0.000 1.255 129 F CB -0.084 39.034 39.000 0.197 0.000 0.997 129 F HN 0.143 nan 8.300 nan 0.000 0.479 130 V N -1.624 118.361 119.914 0.118 0.000 2.591 130 V HA 0.107 4.227 4.120 -0.000 0.000 0.249 130 V C 2.403 178.436 176.094 -0.102 0.000 1.053 130 V CA 1.587 63.825 62.300 -0.103 0.000 1.068 130 V CB -1.669 30.050 31.823 -0.174 0.000 0.689 130 V HN 0.318 nan 8.190 nan 0.000 0.462 131 G N -0.974 107.643 108.800 -0.306 0.000 2.418 131 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 131 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 131 G C 1.508 176.256 174.900 -0.253 0.000 1.158 131 G CA 1.194 45.765 45.100 -0.882 0.000 0.771 131 G HN 0.589 nan 8.290 nan 0.000 0.545 132 Y N 1.321 121.501 120.300 -0.200 0.000 2.207 132 Y HA -0.119 4.431 4.550 -0.000 0.000 0.287 132 Y C 2.817 178.675 175.900 -0.071 0.000 1.156 132 Y CA 1.141 59.165 58.100 -0.127 0.000 1.182 132 Y CB -0.203 38.165 38.460 -0.154 0.000 0.979 132 Y HN 0.054 nan 8.280 nan 0.000 0.521 133 V N 0.212 120.111 119.914 -0.025 0.000 2.626 133 V HA -0.305 3.815 4.120 -0.000 0.000 0.252 133 V C 2.414 178.625 176.094 0.195 0.000 1.067 133 V CA 1.571 63.922 62.300 0.085 0.000 1.081 133 V CB -0.791 31.243 31.823 0.352 0.000 0.686 133 V HN 0.411 nan 8.190 nan 0.000 0.468 134 L N 0.880 122.160 121.223 0.095 0.000 2.021 134 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 134 L C 0.274 177.269 176.870 0.209 0.000 1.074 134 L CA 1.937 56.835 54.840 0.096 0.000 0.760 134 L CB -2.157 39.749 42.059 -0.256 0.000 0.889 134 L HN 0.392 nan 8.230 nan 0.000 0.433 135 P HA -0.261 nan 4.420 nan 0.000 0.230 135 P C 0.409 177.900 177.300 0.318 0.000 1.158 135 P CA 0.815 63.985 63.100 0.117 0.000 0.769 135 P CB -0.145 31.506 31.700 -0.083 0.000 0.807 136 W N 0.266 121.585 121.300 0.033 0.000 5.563 136 W HA -0.141 4.519 4.660 -0.000 0.000 0.396 136 W C -0.169 176.441 176.519 0.152 0.000 1.519 136 W CA 0.125 57.521 57.345 0.085 0.000 0.953 136 W CB -1.411 28.113 29.460 0.106 0.000 2.691 136 W HN -0.026 nan 8.180 nan 0.000 1.444 137 G N 0.618 109.459 108.800 0.068 0.000 2.537 137 G HA2 0.216 4.176 3.960 -0.000 0.000 0.297 137 G HA3 0.216 4.176 3.960 -0.000 0.000 0.297 137 G C 0.553 175.408 174.900 -0.075 0.000 1.310 137 G CA -0.015 45.126 45.100 0.069 0.000 1.027 137 G HN 0.184 nan 8.290 nan 0.000 0.505 138 Q N -1.095 118.715 119.800 0.017 0.000 2.061 138 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 138 Q C 2.461 178.608 176.000 0.245 0.000 0.984 138 Q CA 1.386 57.272 55.803 0.137 0.000 0.846 138 Q CB -0.253 28.575 28.738 0.149 0.000 0.902 138 Q HN 0.493 nan 8.270 nan 0.000 0.421 139 M N -0.115 119.574 119.600 0.148 0.000 2.349 139 M HA -0.022 4.458 4.480 -0.000 0.000 0.266 139 M C 1.990 178.339 176.300 0.082 0.000 1.076 139 M CA 1.001 56.411 55.300 0.183 0.000 1.126 139 M CB -0.130 32.607 32.600 0.227 0.000 1.392 139 M HN -0.036 nan 8.290 nan 0.000 0.440 140 S N -0.118 115.496 115.700 -0.145 0.000 2.348 140 S HA -0.147 4.323 4.470 -0.000 0.000 0.221 140 S C 1.711 176.189 174.600 -0.203 0.000 1.033 140 S CA 1.579 59.609 58.200 -0.283 0.000 1.010 140 S CB -0.671 62.363 63.200 -0.277 0.000 0.891 140 S HN 0.593 nan 8.310 nan 0.000 0.442 141 F N 0.953 120.607 119.950 -0.494 0.000 2.051 141 F HA -0.105 4.422 4.527 -0.000 0.000 0.296 141 F C 1.848 177.341 175.800 -0.511 0.000 1.122 141 F CA 1.380 58.937 58.000 -0.738 0.000 1.201 141 F CB -0.608 37.731 39.000 -1.100 0.000 0.978 141 F HN 0.216 nan 8.300 nan 0.000 0.472 142 W N 0.586 121.790 121.300 -0.159 0.000 2.374 142 W HA -0.002 4.658 4.660 -0.000 0.000 0.288 142 W C 2.652 179.090 176.519 -0.136 0.000 1.218 142 W CA 1.294 58.540 57.345 -0.165 0.000 1.245 142 W CB -1.195 28.272 29.460 0.011 0.000 1.126 142 W HN 0.165 nan 8.180 nan 0.000 0.545 143 G N 0.188 109.041 108.800 0.088 0.000 2.404 143 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 143 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 143 G C 1.700 176.657 174.900 0.095 0.000 1.174 143 G CA 1.434 46.590 45.100 0.093 0.000 0.780 143 G HN 0.285 nan 8.290 nan 0.000 0.537 144 A N 0.419 123.213 122.820 -0.043 0.000 1.892 144 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 144 A C 2.538 180.154 177.584 0.055 0.000 1.188 144 A CA 2.739 54.819 52.037 0.072 0.000 0.631 144 A CB -1.165 17.795 19.000 -0.066 0.000 0.822 144 A HN 0.326 nan 8.150 nan 0.000 0.447 145 T N -0.539 113.837 114.554 -0.297 0.000 2.643 145 T HA -0.129 4.221 4.350 -0.000 0.000 0.264 145 T C 1.892 176.615 174.700 0.038 0.000 1.045 145 T CA 1.569 63.507 62.100 -0.269 0.000 1.155 145 T CB -0.664 67.811 68.868 -0.654 0.000 0.863 145 T HN 0.130 nan 8.240 nan 0.000 0.420 146 V N 1.864 121.829 119.914 0.085 0.000 2.250 146 V HA -0.184 3.935 4.120 -0.000 0.000 0.250 146 V C 2.483 178.626 176.094 0.081 0.000 1.060 146 V CA 1.555 63.936 62.300 0.135 0.000 1.030 146 V CB -0.549 31.375 31.823 0.168 0.000 0.643 146 V HN 0.445 nan 8.190 nan 0.000 0.445 147 I N 0.682 121.306 120.570 0.090 0.000 2.353 147 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 147 I C 2.664 178.602 176.117 -0.298 0.000 1.119 147 I CA 2.146 63.416 61.300 -0.049 0.000 1.417 147 I CB -1.777 36.236 38.000 0.021 0.000 1.078 147 I HN 0.557 nan 8.210 nan 0.000 0.421 148 T N -1.888 112.600 114.554 -0.111 0.000 3.023 148 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 148 T C 1.651 176.130 174.700 -0.369 0.000 1.093 148 T CA 0.680 62.599 62.100 -0.303 0.000 1.129 148 T CB -0.339 68.666 68.868 0.228 0.000 0.899 148 T HN 0.130 nan 8.240 nan 0.000 0.491 149 N N 1.094 119.746 118.700 -0.081 0.000 2.459 149 N HA 0.120 4.860 4.740 -0.000 0.000 0.181 149 N C 1.715 177.121 175.510 -0.172 0.000 1.046 149 N CA 0.388 53.418 53.050 -0.033 0.000 0.904 149 N CB -0.322 38.250 38.487 0.142 0.000 0.964 149 N HN 0.470 nan 8.380 nan 0.000 0.444 150 L N -0.567 120.480 121.223 -0.294 0.000 2.083 150 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 150 L C 1.765 178.571 176.870 -0.107 0.000 1.083 150 L CA 1.035 55.745 54.840 -0.216 0.000 0.752 150 L CB -0.650 41.261 42.059 -0.246 0.000 0.899 150 L HN 0.148 nan 8.230 nan 0.000 0.433 151 F N 0.294 120.179 119.950 -0.108 0.000 2.373 151 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 151 F C 2.733 178.434 175.800 -0.166 0.000 1.080 151 F CA 0.640 58.562 58.000 -0.129 0.000 1.417 151 F CB -0.453 38.463 39.000 -0.139 0.000 1.070 151 F HN 0.241 nan 8.300 nan 0.000 0.546 152 S N 0.267 115.912 115.700 -0.092 0.000 2.555 152 S HA 0.013 4.483 4.470 -0.000 0.000 0.230 152 S C 1.721 176.224 174.600 -0.162 0.000 0.978 152 S CA 0.483 58.510 58.200 -0.287 0.000 0.934 152 S CB -0.256 62.609 63.200 -0.557 0.000 0.766 152 S HN 0.271 nan 8.310 nan 0.000 0.533 153 A N 0.753 123.545 122.820 -0.048 0.000 2.218 153 A HA 0.444 4.764 4.320 -0.000 0.000 0.209 153 A C 0.762 178.340 177.584 -0.009 0.000 1.168 153 A CA -0.237 51.795 52.037 -0.008 0.000 0.804 153 A CB -0.397 18.605 19.000 0.004 0.000 0.834 153 A HN 0.580 nan 8.150 nan 0.000 0.482 154 I N 1.278 121.844 120.570 -0.007 0.000 2.575 154 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 154 I C -2.277 173.794 176.117 -0.077 0.000 1.085 154 I CA -2.023 59.251 61.300 -0.043 0.000 1.403 154 I CB 1.035 39.013 38.000 -0.036 0.000 1.409 154 I HN 0.022 nan 8.210 nan 0.000 0.557 155 P HA 0.070 nan 4.420 nan 0.000 0.267 155 P C -0.426 176.673 177.300 -0.334 0.000 1.205 155 P CA 0.398 63.258 63.100 -0.402 0.000 0.765 155 P CB 0.166 31.424 31.700 -0.737 0.000 0.828 156 Y N 1.252 121.581 120.300 0.048 0.000 2.742 156 Y HA -0.363 4.187 4.550 -0.000 0.000 0.487 156 Y C 1.599 177.525 175.900 0.045 0.000 1.079 156 Y CA 0.905 59.030 58.100 0.042 0.000 2.996 156 Y CB -1.871 36.601 38.460 0.019 0.000 0.922 156 Y HN 0.339 nan 8.280 nan 0.000 0.563 157 I N -0.043 120.625 120.570 0.164 0.000 3.646 157 I HA 0.293 4.463 4.170 -0.000 0.000 0.301 157 I C 1.824 177.973 176.117 0.053 0.000 1.276 157 I CA 0.751 62.099 61.300 0.080 0.000 1.254 157 I CB -0.526 37.489 38.000 0.025 0.000 1.020 157 I HN 0.343 nan 8.210 nan 0.000 0.473 158 G N 1.388 110.233 108.800 0.074 0.000 2.616 158 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 158 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 158 G C 1.386 176.299 174.900 0.022 0.000 1.284 158 G CA 0.500 45.620 45.100 0.034 0.000 0.823 158 G HN 0.476 nan 8.290 nan 0.000 0.569 159 H N 0.261 119.367 119.070 0.059 0.000 2.520 159 H HA -0.083 4.473 4.556 -0.000 0.000 0.295 159 H C 2.598 177.967 175.328 0.068 0.000 1.096 159 H CA 1.566 57.653 56.048 0.065 0.000 1.249 159 H CB 0.036 29.855 29.762 0.095 0.000 1.365 159 H HN 0.275 nan 8.280 nan 0.000 0.556 160 T N 0.792 115.437 114.554 0.152 0.000 2.818 160 T HA -0.063 4.287 4.350 -0.000 0.000 0.246 160 T C 2.140 176.905 174.700 0.108 0.000 1.036 160 T CA 0.463 62.639 62.100 0.126 0.000 1.160 160 T CB -0.350 68.571 68.868 0.088 0.000 0.869 160 T HN 0.149 nan 8.240 nan 0.000 0.419 161 L N 1.864 123.124 121.223 0.061 0.000 2.151 161 L HA -0.117 4.222 4.340 -0.000 0.000 0.215 161 L C 2.152 179.095 176.870 0.123 0.000 1.084 161 L CA 1.591 56.484 54.840 0.089 0.000 0.764 161 L CB -0.790 41.270 42.059 0.001 0.000 0.891 161 L HN 0.084 nan 8.230 nan 0.000 0.435 162 V N -0.293 119.607 119.914 -0.025 0.000 2.283 162 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 162 V C 2.394 178.245 176.094 -0.404 0.000 1.039 162 V CA 1.979 64.084 62.300 -0.325 0.000 1.016 162 V CB -0.594 30.909 31.823 -0.534 0.000 0.650 162 V HN 0.485 nan 8.190 nan 0.000 0.449 163 E N -1.382 118.755 120.200 -0.105 0.000 2.472 163 E HA -0.238 4.112 4.350 -0.000 0.000 0.200 163 E C 1.795 178.477 176.600 0.137 0.000 1.046 163 E CA 1.014 57.471 56.400 0.095 0.000 0.871 163 E CB -0.088 29.733 29.700 0.203 0.000 0.806 163 E HN 0.791 nan 8.360 nan 0.000 0.533 164 W N 0.974 122.254 121.300 -0.032 0.000 2.525 164 W HA 0.122 4.782 4.660 -0.000 0.000 0.288 164 W C 2.294 178.832 176.519 0.031 0.000 1.200 164 W CA 1.203 58.549 57.345 0.002 0.000 1.349 164 W CB -0.283 29.175 29.460 -0.002 0.000 1.102 164 W HN -0.039 nan 8.180 nan 0.000 0.558 165 A N -0.262 122.555 122.820 -0.005 0.000 1.902 165 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 165 A C 1.737 179.337 177.584 0.027 0.000 1.181 165 A CA 1.569 53.566 52.037 -0.066 0.000 0.623 165 A CB -1.441 17.605 19.000 0.077 0.000 0.818 165 A HN 0.467 nan 8.150 nan 0.000 0.443 166 W N -1.204 120.074 121.300 -0.038 0.000 2.467 166 W HA 0.246 4.906 4.660 -0.000 0.000 0.275 166 W C 1.718 178.142 176.519 -0.159 0.000 1.239 166 W CA 0.942 58.228 57.345 -0.098 0.000 1.266 166 W CB -1.090 28.339 29.460 -0.052 0.000 1.112 166 W HN 0.652 nan 8.180 nan 0.000 0.576 167 G N 0.275 109.105 108.800 0.050 0.000 2.149 167 G HA2 0.068 4.028 3.960 -0.000 0.000 0.235 167 G HA3 0.068 4.028 3.960 -0.000 0.000 0.235 167 G C 0.450 175.292 174.900 -0.096 0.000 1.018 167 G CA 0.373 45.429 45.100 -0.073 0.000 0.728 167 G HN 0.733 nan 8.290 nan 0.000 0.508 168 G N -1.763 106.980 108.800 -0.095 0.000 2.512 168 G HA2 0.497 4.457 3.960 -0.000 0.000 0.181 168 G HA3 0.497 4.457 3.960 -0.000 0.000 0.181 168 G C 0.102 174.797 174.900 -0.342 0.000 1.173 168 G CA 0.202 45.068 45.100 -0.390 0.000 0.988 168 G HN 0.492 nan 8.290 nan 0.000 0.485 169 F N 1.860 121.931 119.950 0.202 0.000 2.704 169 F HA 0.501 5.028 4.527 -0.000 0.000 0.304 169 F C 1.230 177.056 175.800 0.043 0.000 1.094 169 F CA 0.479 58.628 58.000 0.248 0.000 1.275 169 F CB 1.069 40.159 39.000 0.150 0.000 1.073 169 F HN 0.553 nan 8.300 nan 0.000 0.586 170 S N -1.433 114.157 115.700 -0.184 0.000 2.588 170 S HA 0.467 4.937 4.470 -0.000 0.000 0.269 170 S C -0.943 173.124 174.600 -0.888 0.000 1.157 170 S CA -1.070 56.638 58.200 -0.820 0.000 0.824 170 S CB 1.354 64.363 63.200 -0.318 0.000 1.126 170 S HN -0.236 nan 8.310 nan 0.000 0.464 171 V N 2.488 121.757 119.914 -1.074 0.000 2.420 171 V HA 0.298 4.418 4.120 -0.000 0.000 0.274 171 V C 0.136 176.212 176.094 -0.031 0.000 1.003 171 V CA 0.871 62.811 62.300 -0.599 0.000 1.092 171 V CB -0.432 31.028 31.823 -0.605 0.000 1.002 171 V HN 0.893 nan 8.190 nan 0.000 0.473 172 D N 3.120 123.496 120.400 -0.040 0.000 2.867 172 D HA 0.198 4.838 4.640 -0.000 0.000 0.308 172 D C 1.047 177.286 176.300 -0.102 0.000 1.202 172 D CA -0.736 53.288 54.000 0.041 0.000 1.035 172 D CB 1.374 42.164 40.800 -0.017 0.000 1.427 172 D HN 0.238 nan 8.370 nan 0.000 0.570 173 N N 0.101 118.709 118.700 -0.154 0.000 2.091 173 N HA -0.102 4.638 4.740 -0.000 0.000 0.193 173 N C -1.265 174.132 175.510 -0.189 0.000 1.021 173 N CA 2.156 55.061 53.050 -0.241 0.000 0.862 173 N CB -0.401 37.974 38.487 -0.187 0.000 1.018 173 N HN 0.256 nan 8.380 nan 0.000 0.429 174 P HA -0.069 nan 4.420 nan 0.000 0.222 174 P C 0.553 177.782 177.300 -0.118 0.000 1.147 174 P CA 1.296 64.333 63.100 -0.104 0.000 0.790 174 P CB 0.013 31.662 31.700 -0.086 0.000 0.780 175 T N 0.024 114.475 114.554 -0.172 0.000 2.939 175 T HA -0.024 4.326 4.350 -0.000 0.000 0.254 175 T C 1.795 176.272 174.700 -0.373 0.000 1.041 175 T CA 0.348 62.270 62.100 -0.296 0.000 1.142 175 T CB -0.815 67.855 68.868 -0.330 0.000 0.874 175 T HN -0.011 nan 8.240 nan 0.000 0.452 176 L N 2.330 123.373 121.223 -0.299 0.000 2.012 176 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 176 L C 2.702 179.578 176.870 0.010 0.000 1.073 176 L CA 2.326 57.035 54.840 -0.218 0.000 0.748 176 L CB -1.350 40.398 42.059 -0.519 0.000 0.891 176 L HN 0.435 nan 8.230 nan 0.000 0.431 177 T N -1.602 112.939 114.554 -0.022 0.000 2.788 177 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 177 T C 1.873 176.692 174.700 0.198 0.000 1.044 177 T CA 1.443 63.605 62.100 0.103 0.000 1.139 177 T CB -0.720 68.166 68.868 0.031 0.000 0.867 177 T HN 0.620 nan 8.240 nan 0.000 0.454 178 R N -0.391 120.199 120.500 0.149 0.000 2.153 178 R HA 0.115 4.455 4.340 -0.000 0.000 0.218 178 R C 1.871 178.420 176.300 0.415 0.000 1.072 178 R CA 0.659 56.885 56.100 0.210 0.000 0.990 178 R CB -0.665 29.713 30.300 0.130 0.000 0.889 178 R HN 0.274 nan 8.270 nan 0.000 0.452 179 F N 1.147 121.202 119.950 0.175 0.000 2.163 179 F HA 0.009 4.536 4.527 -0.000 0.000 0.297 179 F C 2.098 178.075 175.800 0.295 0.000 1.094 179 F CA -0.005 58.127 58.000 0.221 0.000 1.290 179 F CB -0.902 38.227 39.000 0.216 0.000 1.017 179 F HN -0.068 nan 8.300 nan 0.000 0.483 180 F N 0.514 120.677 119.950 0.354 0.000 2.095 180 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 180 F C 2.380 178.370 175.800 0.317 0.000 1.104 180 F CA 1.516 59.702 58.000 0.310 0.000 1.232 180 F CB -0.259 38.932 39.000 0.317 0.000 0.987 180 F HN -0.064 nan 8.300 nan 0.000 0.475 181 A N 0.942 123.849 122.820 0.144 0.000 1.865 181 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 181 A C 2.233 179.854 177.584 0.062 0.000 1.191 181 A CA 1.928 53.957 52.037 -0.013 0.000 0.623 181 A CB -1.293 17.730 19.000 0.039 0.000 0.826 181 A HN 0.537 nan 8.150 nan 0.000 0.444 182 L N -1.720 119.586 121.223 0.139 0.000 2.042 182 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 182 L C 2.688 179.635 176.870 0.127 0.000 1.076 182 L CA 1.943 56.855 54.840 0.120 0.000 0.749 182 L CB -0.543 41.579 42.059 0.106 0.000 0.893 182 L HN 0.664 nan 8.230 nan 0.000 0.432 183 H N -0.883 118.230 119.070 0.072 0.000 2.421 183 H HA -0.233 4.323 4.556 -0.000 0.000 0.298 183 H C 1.927 177.273 175.328 0.030 0.000 1.087 183 H CA 1.631 57.709 56.048 0.051 0.000 1.330 183 H CB -0.128 29.698 29.762 0.107 0.000 1.388 183 H HN 0.292 nan 8.280 nan 0.000 0.526 184 F N -0.847 118.991 119.950 -0.187 0.000 2.206 184 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 184 F C 2.091 177.862 175.800 -0.047 0.000 1.090 184 F CA 0.583 58.458 58.000 -0.208 0.000 1.323 184 F CB 0.054 38.874 39.000 -0.301 0.000 1.028 184 F HN 0.280 nan 8.300 nan 0.000 0.492 185 L N 0.453 121.843 121.223 0.278 0.000 2.049 185 L HA -0.102 4.238 4.340 -0.000 0.000 0.203 185 L C 2.001 178.967 176.870 0.160 0.000 1.074 185 L CA 1.657 56.670 54.840 0.289 0.000 0.749 185 L CB -0.976 41.175 42.059 0.153 0.000 0.907 185 L HN 0.132 nan 8.230 nan 0.000 0.439 186 L N -0.097 121.141 121.223 0.024 0.000 2.089 186 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 186 L C -0.139 176.654 176.870 -0.128 0.000 1.079 186 L CA 1.505 56.324 54.840 -0.035 0.000 0.758 186 L CB -2.157 39.874 42.059 -0.046 0.000 0.891 186 L HN 0.272 nan 8.230 nan 0.000 0.433 187 P HA -0.185 nan 4.420 nan 0.000 0.216 187 P C 1.506 178.587 177.300 -0.364 0.000 1.150 187 P CA 1.545 64.397 63.100 -0.414 0.000 0.837 187 P CB -0.033 31.280 31.700 -0.644 0.000 0.786 188 F N -0.267 119.670 119.950 -0.021 0.000 2.146 188 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 188 F C 2.474 178.273 175.800 -0.003 0.000 1.096 188 F CA 0.953 58.952 58.000 -0.001 0.000 1.275 188 F CB -1.224 37.789 39.000 0.022 0.000 1.008 188 F HN -0.124 nan 8.300 nan 0.000 0.480 189 A N 0.677 123.583 122.820 0.144 0.000 1.940 189 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 189 A C 2.200 179.806 177.584 0.036 0.000 1.176 189 A CA 1.602 53.688 52.037 0.081 0.000 0.631 189 A CB -1.075 17.957 19.000 0.054 0.000 0.814 189 A HN 0.420 nan 8.150 nan 0.000 0.446 190 I N -0.377 120.187 120.570 -0.011 0.000 2.142 190 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 190 I C 3.039 179.155 176.117 -0.002 0.000 1.078 190 I CA 1.135 62.415 61.300 -0.033 0.000 1.343 190 I CB -0.539 37.413 38.000 -0.080 0.000 1.046 190 I HN 0.374 nan 8.210 nan 0.000 0.405 191 A N 1.156 123.984 122.820 0.013 0.000 1.892 191 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 191 A C 2.428 180.042 177.584 0.050 0.000 1.188 191 A CA 2.205 54.265 52.037 0.038 0.000 0.631 191 A CB -1.585 17.462 19.000 0.077 0.000 0.822 191 A HN 0.482 nan 8.150 nan 0.000 0.447 192 G N 0.127 108.968 108.800 0.068 0.000 2.545 192 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 192 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 192 G C 1.505 176.433 174.900 0.048 0.000 1.218 192 G CA 1.234 46.368 45.100 0.057 0.000 0.787 192 G HN 0.497 nan 8.290 nan 0.000 0.571 193 I N 1.059 121.657 120.570 0.047 0.000 2.315 193 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 193 I C 2.883 179.039 176.117 0.065 0.000 1.125 193 I CA 1.474 62.807 61.300 0.055 0.000 1.392 193 I CB -0.578 37.443 38.000 0.035 0.000 1.065 193 I HN 0.138 nan 8.210 nan 0.000 0.424 194 T N 1.340 115.917 114.554 0.039 0.000 2.788 194 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 194 T C 1.961 176.709 174.700 0.080 0.000 1.044 194 T CA 1.033 63.166 62.100 0.055 0.000 1.139 194 T CB -0.079 68.800 68.868 0.019 0.000 0.867 194 T HN 0.170 nan 8.240 nan 0.000 0.454 195 I N 1.380 121.975 120.570 0.043 0.000 2.226 195 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 195 I C 2.299 178.419 176.117 0.004 0.000 1.100 195 I CA 1.126 62.431 61.300 0.009 0.000 1.374 195 I CB -1.175 36.825 38.000 0.001 0.000 1.057 195 I HN 0.224 nan 8.210 nan 0.000 0.413 196 I N 0.403 121.002 120.570 0.048 0.000 2.179 196 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 196 I C 2.647 178.877 176.117 0.189 0.000 1.088 196 I CA 1.578 62.918 61.300 0.067 0.000 1.357 196 I CB -1.749 36.341 38.000 0.150 0.000 1.051 196 I HN 0.284 nan 8.210 nan 0.000 0.409 197 H N 1.581 120.717 119.070 0.110 0.000 2.265 197 H HA -0.162 4.394 4.556 -0.000 0.000 0.295 197 H C 2.212 177.575 175.328 0.058 0.000 1.084 197 H CA 1.974 58.099 56.048 0.128 0.000 1.261 197 H CB -0.389 29.415 29.762 0.070 0.000 1.360 197 H HN 0.212 nan 8.280 nan 0.000 0.487 198 L N -0.781 120.428 121.223 -0.024 0.000 2.191 198 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 198 L C 2.443 179.027 176.870 -0.476 0.000 1.103 198 L CA 1.396 56.056 54.840 -0.301 0.000 0.769 198 L CB -0.459 41.418 42.059 -0.304 0.000 0.908 198 L HN 0.363 nan 8.230 nan 0.000 0.438 199 T N -0.369 114.026 114.554 -0.265 0.000 2.701 199 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 199 T C 1.626 176.203 174.700 -0.205 0.000 1.040 199 T CA 1.330 63.269 62.100 -0.268 0.000 1.147 199 T CB -0.232 68.474 68.868 -0.271 0.000 0.865 199 T HN 0.079 nan 8.240 nan 0.000 0.426 200 F N 1.046 120.927 119.950 -0.116 0.000 2.095 200 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 200 F C 2.136 177.841 175.800 -0.159 0.000 1.104 200 F CA 0.568 58.511 58.000 -0.095 0.000 1.232 200 F CB -0.912 38.056 39.000 -0.053 0.000 0.987 200 F HN 0.061 nan 8.300 nan 0.000 0.475 201 L N 0.117 121.325 121.223 -0.025 0.000 1.990 201 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 201 L C 2.227 179.071 176.870 -0.043 0.000 1.072 201 L CA 2.139 56.903 54.840 -0.127 0.000 0.755 201 L CB -1.133 40.829 42.059 -0.160 0.000 0.889 201 L HN 0.281 nan 8.230 nan 0.000 0.432 202 H N -1.171 117.848 119.070 -0.084 0.000 2.560 202 H HA -0.088 4.468 4.556 -0.000 0.000 0.283 202 H C 1.725 177.004 175.328 -0.081 0.000 1.028 202 H CA 0.401 56.402 56.048 -0.079 0.000 1.221 202 H CB 0.263 29.985 29.762 -0.066 0.000 1.363 202 H HN 0.481 nan 8.280 nan 0.000 0.594 203 E N 0.359 120.575 120.200 0.027 0.000 2.072 203 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 203 E C 2.414 178.987 176.600 -0.044 0.000 0.985 203 E CA 1.388 57.785 56.400 -0.004 0.000 0.801 203 E CB 0.044 29.753 29.700 0.014 0.000 0.750 203 E HN 0.526 nan 8.360 nan 0.000 0.452 204 S N -0.900 114.715 115.700 -0.141 0.000 2.468 204 S HA 0.314 4.784 4.470 -0.000 0.000 0.226 204 S C 1.125 175.659 174.600 -0.110 0.000 1.051 204 S CA 0.527 58.615 58.200 -0.187 0.000 0.943 204 S CB 0.591 63.469 63.200 -0.537 0.000 0.810 204 S HN 0.362 nan 8.310 nan 0.000 0.509 205 G N 0.712 109.449 108.800 -0.105 0.000 2.712 205 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.683 205 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.683 205 G C -0.515 174.418 174.900 0.054 0.000 1.320 205 G CA -0.501 44.599 45.100 -0.001 0.000 0.847 205 G HN 0.632 nan 8.290 nan 0.000 0.553 206 S N -0.222 115.553 115.700 0.126 0.000 2.585 206 S HA 0.364 4.834 4.470 -0.000 0.000 0.273 206 S C 0.957 175.719 174.600 0.271 0.000 1.339 206 S CA 0.066 58.414 58.200 0.246 0.000 1.028 206 S CB 1.024 64.322 63.200 0.163 0.000 0.906 206 S HN 0.810 nan 8.310 nan 0.000 0.528 207 N N 0.766 119.713 118.700 0.412 0.000 2.413 207 N HA 0.289 5.029 4.740 -0.000 0.000 0.266 207 N C -0.598 174.922 175.510 0.016 0.000 1.238 207 N CA -0.552 52.636 53.050 0.230 0.000 0.972 207 N CB 0.491 39.080 38.487 0.169 0.000 1.210 207 N HN 0.804 nan 8.380 nan 0.000 0.547 208 N N -1.218 117.409 118.700 -0.123 0.000 2.416 208 N HA 0.391 5.131 4.740 -0.000 0.000 0.276 208 N C -2.490 172.833 175.510 -0.312 0.000 1.261 208 N CA -1.300 51.459 53.050 -0.485 0.000 0.790 208 N CB 2.142 40.423 38.487 -0.344 0.000 1.554 208 N HN 0.212 nan 8.380 nan 0.000 0.481 209 P HA -0.146 nan 4.420 nan 0.000 0.222 209 P C 0.588 177.935 177.300 0.079 0.000 1.142 209 P CA 1.130 64.168 63.100 -0.103 0.000 0.788 209 P CB 0.271 31.920 31.700 -0.086 0.000 0.767 210 L N -2.085 119.129 121.223 -0.016 0.000 2.585 210 L HA 0.283 4.623 4.340 -0.000 0.000 0.226 210 L C 1.482 178.345 176.870 -0.011 0.000 1.113 210 L CA 0.522 55.349 54.840 -0.021 0.000 0.876 210 L CB -0.855 41.257 42.059 0.088 0.000 1.072 210 L HN 0.036 nan 8.230 nan 0.000 0.468 211 G N 2.341 111.137 108.800 -0.007 0.000 2.283 211 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 211 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 211 G C 0.137 175.037 174.900 -0.000 0.000 1.029 211 G CA 0.828 45.916 45.100 -0.019 0.000 0.840 211 G HN 0.523 nan 8.290 nan 0.000 0.505 212 I N -3.319 117.263 120.570 0.019 0.000 2.689 212 I HA 0.785 4.955 4.170 -0.000 0.000 0.299 212 I C 0.499 176.625 176.117 0.015 0.000 1.059 212 I CA -1.024 60.294 61.300 0.031 0.000 1.055 212 I CB 2.007 40.046 38.000 0.065 0.000 1.243 212 I HN 0.114 nan 8.210 nan 0.000 0.425 213 S N 2.592 118.302 115.700 0.017 0.000 2.702 213 S HA -0.017 4.453 4.470 -0.000 0.000 0.314 213 S C 0.956 175.562 174.600 0.010 0.000 1.244 213 S CA 0.360 58.570 58.200 0.017 0.000 1.058 213 S CB -0.038 63.173 63.200 0.019 0.000 0.783 213 S HN 0.848 nan 8.310 nan 0.000 0.503 214 S N 2.945 118.648 115.700 0.005 0.000 2.561 214 S HA 0.220 4.690 4.470 -0.000 0.000 0.245 214 S C 0.439 175.039 174.600 0.000 0.000 1.001 214 S CA -0.573 57.623 58.200 -0.007 0.000 1.002 214 S CB 0.301 63.482 63.200 -0.031 0.000 0.805 214 S HN 0.700 nan 8.310 nan 0.000 0.458 215 D N 2.799 123.204 120.400 0.009 0.000 2.224 215 D HA -0.057 4.583 4.640 -0.000 0.000 0.205 215 D C 1.877 178.181 176.300 0.008 0.000 0.965 215 D CA 1.267 55.274 54.000 0.011 0.000 0.852 215 D CB -0.221 40.588 40.800 0.014 0.000 0.947 215 D HN 0.613 nan 8.370 nan 0.000 0.494 216 S N -0.603 115.100 115.700 0.005 0.000 2.515 216 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 216 S C 0.537 175.135 174.600 -0.004 0.000 0.987 216 S CA 0.290 58.491 58.200 0.002 0.000 0.936 216 S CB 0.374 63.576 63.200 0.002 0.000 0.766 216 S HN 0.013 nan 8.310 nan 0.000 0.528 217 D N 0.814 121.210 120.400 -0.007 0.000 2.527 217 D HA 0.310 4.950 4.640 -0.000 0.000 0.242 217 D C -1.203 175.088 176.300 -0.015 0.000 1.285 217 D CA -0.185 53.805 54.000 -0.017 0.000 0.886 217 D CB 0.427 41.209 40.800 -0.029 0.000 1.402 217 D HN 0.086 nan 8.370 nan 0.000 0.528 218 K N 1.869 122.270 120.400 0.002 0.000 2.259 218 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 218 K C 0.057 176.683 176.600 0.043 0.000 0.936 218 K CA -0.960 55.342 56.287 0.025 0.000 0.810 218 K CB 2.457 34.979 32.500 0.036 0.000 1.143 218 K HN 0.400 nan 8.250 nan 0.000 0.427 219 I N -0.884 119.737 120.570 0.084 0.000 2.785 219 I HA 0.541 4.711 4.170 -0.000 0.000 0.302 219 I C -2.612 173.656 176.117 0.252 0.000 1.069 219 I CA -2.955 58.429 61.300 0.140 0.000 1.045 219 I CB 2.164 40.155 38.000 -0.015 0.000 1.236 219 I HN 0.343 nan 8.210 nan 0.000 0.429 220 P HA 0.008 nan 4.420 nan 0.000 0.271 220 P C 0.437 177.936 177.300 0.332 0.000 1.216 220 P CA 0.018 63.270 63.100 0.252 0.000 0.771 220 P CB 0.909 32.706 31.700 0.162 0.000 0.864 221 F N 3.183 123.283 119.950 0.250 0.000 2.087 221 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 221 F C 1.279 177.246 175.800 0.279 0.000 1.100 221 F CA 1.788 59.989 58.000 0.335 0.000 1.226 221 F CB -0.641 38.496 39.000 0.229 0.000 0.983 221 F HN 0.445 nan 8.300 nan 0.000 0.479 222 H N 1.149 120.341 119.070 0.203 0.000 2.458 222 H HA 0.278 4.834 4.556 -0.000 0.000 0.330 222 H C -1.869 173.391 175.328 -0.113 0.000 1.111 222 H CA -2.418 53.660 56.048 0.051 0.000 1.245 222 H CB 1.470 31.329 29.762 0.162 0.000 1.456 222 H HN -0.109 nan 8.280 nan 0.000 0.488 223 P HA -0.056 nan 4.420 nan 0.000 0.245 223 P C 0.684 177.705 177.300 -0.466 0.000 1.203 223 P CA 0.607 63.165 63.100 -0.902 0.000 0.792 223 P CB 0.310 31.396 31.700 -1.023 0.000 0.997 224 Y N 0.099 120.155 120.300 -0.407 0.000 2.014 224 Y HA -0.268 4.282 4.550 -0.000 0.000 0.272 224 Y C 2.471 177.972 175.900 -0.665 0.000 1.164 224 Y CA 1.670 59.430 58.100 -0.567 0.000 1.114 224 Y CB -1.393 36.647 38.460 -0.701 0.000 0.961 224 Y HN -0.088 nan 8.280 nan 0.000 0.489 225 Y N -0.623 119.529 120.300 -0.246 0.000 2.475 225 Y HA -0.148 4.402 4.550 -0.000 0.000 0.289 225 Y C 2.676 178.226 175.900 -0.582 0.000 1.121 225 Y CA 0.500 58.307 58.100 -0.489 0.000 1.257 225 Y CB -0.248 37.775 38.460 -0.728 0.000 1.026 225 Y HN 0.157 nan 8.280 nan 0.000 0.555 226 S N -0.160 115.260 115.700 -0.467 0.000 2.368 226 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 226 S C 1.748 176.316 174.600 -0.054 0.000 1.030 226 S CA 1.181 59.311 58.200 -0.116 0.000 0.999 226 S CB -1.111 62.207 63.200 0.196 0.000 0.844 226 S HN 0.384 nan 8.310 nan 0.000 0.459 227 F N 2.062 121.930 119.950 -0.136 0.000 2.163 227 F HA 0.138 4.665 4.527 -0.000 0.000 0.297 227 F C 2.728 178.487 175.800 -0.069 0.000 1.094 227 F CA 1.260 59.205 58.000 -0.092 0.000 1.290 227 F CB -0.220 38.703 39.000 -0.129 0.000 1.017 227 F HN 0.132 nan 8.300 nan 0.000 0.483 228 K N 0.422 120.884 120.400 0.104 0.000 2.063 228 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 228 K C 1.457 178.094 176.600 0.062 0.000 1.048 228 K CA 2.040 58.369 56.287 0.069 0.000 0.928 228 K CB -0.196 32.352 32.500 0.081 0.000 0.713 228 K HN 0.142 nan 8.250 nan 0.000 0.442 229 D N 0.611 121.052 120.400 0.067 0.000 2.117 229 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 229 D C 1.865 178.179 176.300 0.022 0.000 0.982 229 D CA 0.897 54.933 54.000 0.059 0.000 0.828 229 D CB -0.091 40.782 40.800 0.121 0.000 0.967 229 D HN 0.250 nan 8.370 nan 0.000 0.464 230 I N 0.323 120.890 120.570 -0.004 0.000 2.286 230 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 230 I C 2.187 178.296 176.117 -0.013 0.000 1.115 230 I CA 0.457 61.737 61.300 -0.034 0.000 1.392 230 I CB 0.003 37.934 38.000 -0.115 0.000 1.065 230 I HN 0.024 nan 8.210 nan 0.000 0.418 231 L N 0.888 122.113 121.223 0.004 0.000 2.056 231 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 231 L C 2.322 179.197 176.870 0.010 0.000 1.078 231 L CA 2.134 56.984 54.840 0.016 0.000 0.749 231 L CB -1.165 40.914 42.059 0.032 0.000 0.901 231 L HN 0.157 nan 8.230 nan 0.000 0.433 232 G N -0.393 108.404 108.800 -0.005 0.000 2.422 232 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 232 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 232 G C 1.581 176.486 174.900 0.008 0.000 1.146 232 G CA 0.967 46.047 45.100 -0.034 0.000 0.769 232 G HN 0.418 nan 8.290 nan 0.000 0.547 233 L N 1.568 122.805 121.223 0.023 0.000 1.994 233 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 233 L C 3.207 180.117 176.870 0.066 0.000 1.071 233 L CA 2.969 57.841 54.840 0.053 0.000 0.745 233 L CB -1.059 41.012 42.059 0.020 0.000 0.892 233 L HN 0.362 nan 8.230 nan 0.000 0.431 234 T N -2.769 111.810 114.554 0.042 0.000 2.833 234 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 234 T C 2.033 176.778 174.700 0.075 0.000 1.054 234 T CA 1.606 63.735 62.100 0.048 0.000 1.135 234 T CB -0.800 68.085 68.868 0.030 0.000 0.869 234 T HN 0.388 nan 8.240 nan 0.000 0.466 235 L N -0.560 120.706 121.223 0.071 0.000 2.093 235 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 235 L C 2.986 179.939 176.870 0.138 0.000 1.085 235 L CA 1.030 55.918 54.840 0.081 0.000 0.755 235 L CB -0.479 41.607 42.059 0.046 0.000 0.904 235 L HN 0.265 nan 8.230 nan 0.000 0.435 236 M N -1.220 118.495 119.600 0.193 0.000 2.287 236 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 236 M C 2.254 178.811 176.300 0.428 0.000 1.079 236 M CA 1.182 56.692 55.300 0.350 0.000 1.146 236 M CB -0.865 32.025 32.600 0.484 0.000 1.374 236 M HN 0.164 nan 8.290 nan 0.000 0.435 237 L N 0.625 122.010 121.223 0.270 0.000 2.129 237 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 237 L C 2.245 179.244 176.870 0.214 0.000 1.087 237 L CA 1.805 56.761 54.840 0.193 0.000 0.757 237 L CB -1.010 41.100 42.059 0.085 0.000 0.896 237 L HN 0.307 nan 8.230 nan 0.000 0.434 238 T N -0.166 114.495 114.554 0.178 0.000 2.643 238 T HA -0.112 4.238 4.350 -0.000 0.000 0.264 238 T C -0.299 174.514 174.700 0.189 0.000 1.045 238 T CA 1.851 64.040 62.100 0.149 0.000 1.155 238 T CB -1.076 67.865 68.868 0.121 0.000 0.863 238 T HN 0.260 nan 8.240 nan 0.000 0.420 239 P HA -0.040 nan 4.420 nan 0.000 0.215 239 P C 1.300 178.790 177.300 0.316 0.000 1.153 239 P CA 0.817 64.061 63.100 0.241 0.000 0.853 239 P CB -0.175 31.665 31.700 0.233 0.000 0.788 240 F N 0.409 120.478 119.950 0.198 0.000 2.011 240 F HA -0.275 4.252 4.527 -0.000 0.000 0.296 240 F C 1.956 177.817 175.800 0.101 0.000 1.144 240 F CA 1.414 59.518 58.000 0.174 0.000 1.185 240 F CB -0.662 38.372 39.000 0.058 0.000 0.961 240 F HN -0.264 nan 8.300 nan 0.000 0.485 241 L N -0.099 121.044 121.223 -0.134 0.000 2.079 241 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 241 L C 2.357 179.160 176.870 -0.112 0.000 1.081 241 L CA 1.800 56.464 54.840 -0.294 0.000 0.752 241 L CB -1.288 40.654 42.059 -0.195 0.000 0.896 241 L HN 0.299 nan 8.230 nan 0.000 0.433 242 T N 0.287 114.880 114.554 0.065 0.000 2.746 242 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 242 T C 1.803 176.643 174.700 0.233 0.000 1.039 242 T CA 1.422 63.656 62.100 0.224 0.000 1.142 242 T CB -0.171 68.858 68.868 0.268 0.000 0.866 242 T HN 0.143 nan 8.240 nan 0.000 0.444 243 L N 1.350 122.679 121.223 0.176 0.000 2.023 243 L HA 0.238 4.578 4.340 -0.000 0.000 0.205 243 L C 2.523 179.467 176.870 0.123 0.000 1.073 243 L CA 1.872 56.821 54.840 0.182 0.000 0.745 243 L CB -0.972 41.223 42.059 0.226 0.000 0.900 243 L HN 0.186 nan 8.230 nan 0.000 0.435 244 A N -1.241 121.599 122.820 0.034 0.000 2.172 244 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 244 A C 2.097 179.662 177.584 -0.032 0.000 1.154 244 A CA 1.537 53.564 52.037 -0.017 0.000 0.701 244 A CB -0.561 18.309 19.000 -0.216 0.000 0.789 244 A HN 0.533 nan 8.150 nan 0.000 0.465 245 L N -3.498 117.663 121.223 -0.102 0.000 2.577 245 L HA 0.234 4.574 4.340 -0.000 0.000 0.225 245 L C 1.831 178.538 176.870 -0.271 0.000 1.053 245 L CA 0.432 55.140 54.840 -0.220 0.000 0.866 245 L CB 0.040 41.831 42.059 -0.447 0.000 1.132 245 L HN 0.445 nan 8.230 nan 0.000 0.486 246 F N -1.371 118.611 119.950 0.053 0.000 2.500 246 F HA 0.108 4.635 4.527 -0.000 0.000 0.285 246 F C 1.569 177.396 175.800 0.045 0.000 1.088 246 F CA 0.179 58.204 58.000 0.043 0.000 1.432 246 F CB 0.618 39.640 39.000 0.037 0.000 1.131 246 F HN -0.150 nan 8.300 nan 0.000 0.582 247 S N 0.321 116.159 115.700 0.231 0.000 2.128 247 S HA 0.294 4.764 4.470 -0.000 0.000 0.157 247 S C -2.050 172.638 174.600 0.147 0.000 1.650 247 S CA -1.423 56.874 58.200 0.162 0.000 1.269 247 S CB -0.074 63.214 63.200 0.146 0.000 1.227 247 S HN -0.173 nan 8.310 nan 0.000 0.405 248 P HA -0.083 nan 4.420 nan 0.000 0.217 248 P C 0.554 177.962 177.300 0.180 0.000 1.148 248 P CA 1.276 64.468 63.100 0.154 0.000 0.834 248 P CB 0.084 31.874 31.700 0.149 0.000 0.783 249 N N -1.966 116.833 118.700 0.164 0.000 2.204 249 N HA 0.087 4.827 4.740 -0.000 0.000 0.219 249 N C 1.274 176.878 175.510 0.156 0.000 1.151 249 N CA -0.247 52.915 53.050 0.186 0.000 0.867 249 N CB -0.060 38.535 38.487 0.179 0.000 1.043 249 N HN 0.060 nan 8.380 nan 0.000 0.516 250 L N 1.167 122.473 121.223 0.138 0.000 1.978 250 L HA -0.136 4.204 4.340 -0.000 0.000 0.218 250 L C 1.726 178.671 176.870 0.124 0.000 1.075 250 L CA 1.812 56.721 54.840 0.115 0.000 0.767 250 L CB -0.401 41.723 42.059 0.108 0.000 0.890 250 L HN 0.141 nan 8.230 nan 0.000 0.434 251 L N -0.863 120.454 121.223 0.156 0.000 2.610 251 L HA 0.144 4.484 4.340 -0.000 0.000 0.232 251 L C 1.001 177.983 176.870 0.187 0.000 1.149 251 L CA 0.082 55.030 54.840 0.181 0.000 0.872 251 L CB -0.993 41.220 42.059 0.257 0.000 0.992 251 L HN 0.356 nan 8.230 nan 0.000 0.447 252 G N -1.185 107.728 108.800 0.188 0.000 2.400 252 G HA2 0.213 4.173 3.960 -0.000 0.000 0.333 252 G HA3 0.213 4.173 3.960 -0.000 0.000 0.333 252 G C -1.230 173.792 174.900 0.203 0.000 1.143 252 G CA -0.429 44.793 45.100 0.203 0.000 0.914 252 G HN -0.154 nan 8.290 nan 0.000 0.480 253 D N 1.644 122.168 120.400 0.206 0.000 2.390 253 D HA 0.122 4.762 4.640 -0.000 0.000 0.249 253 D C -0.876 175.583 176.300 0.265 0.000 1.144 253 D CA -1.486 52.632 54.000 0.198 0.000 0.880 253 D CB 2.117 43.028 40.800 0.186 0.000 1.182 253 D HN 0.090 nan 8.370 nan 0.000 0.451 254 P HA -0.102 nan 4.420 nan 0.000 0.223 254 P C 0.956 178.428 177.300 0.286 0.000 1.151 254 P CA 0.541 63.774 63.100 0.222 0.000 0.787 254 P CB 0.514 32.255 31.700 0.068 0.000 0.788 255 E N 0.561 120.886 120.200 0.208 0.000 2.331 255 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 255 E C 1.452 178.176 176.600 0.208 0.000 1.008 255 E CA 0.747 57.250 56.400 0.171 0.000 0.843 255 E CB -0.898 28.875 29.700 0.123 0.000 0.761 255 E HN 0.019 nan 8.360 nan 0.000 0.507 256 N N -0.899 117.956 118.700 0.259 0.000 2.370 256 N HA 0.038 4.778 4.740 -0.000 0.000 0.198 256 N C -0.598 175.008 175.510 0.160 0.000 1.156 256 N CA 0.119 53.269 53.050 0.168 0.000 0.839 256 N CB 0.009 38.539 38.487 0.072 0.000 0.989 256 N HN 0.099 nan 8.380 nan 0.000 0.468 257 F N -0.760 119.306 119.950 0.193 0.000 2.647 257 F HA 0.319 4.846 4.527 -0.000 0.000 0.300 257 F C 0.196 176.160 175.800 0.273 0.000 1.106 257 F CA -0.048 58.115 58.000 0.271 0.000 1.313 257 F CB 0.635 39.736 39.000 0.168 0.000 1.007 257 F HN -0.277 nan 8.300 nan 0.000 0.536 258 T N 1.259 115.981 114.554 0.280 0.000 2.840 258 T HA 0.311 4.661 4.350 -0.000 0.000 0.287 258 T C -2.674 171.907 174.700 -0.198 0.000 0.991 258 T CA -1.720 60.388 62.100 0.013 0.000 0.964 258 T CB 1.983 70.871 68.868 0.034 0.000 0.954 258 T HN -0.307 nan 8.240 nan 0.000 0.438 259 P HA 0.192 nan 4.420 nan 0.000 0.265 259 P C -0.325 176.782 177.300 -0.323 0.000 1.193 259 P CA -0.193 62.518 63.100 -0.647 0.000 0.765 259 P CB 0.285 31.528 31.700 -0.761 0.000 0.823 260 A N 3.430 126.039 122.820 -0.351 0.000 2.587 260 A HA 0.071 4.391 4.320 -0.000 0.000 0.233 260 A C 0.562 177.885 177.584 -0.435 0.000 1.049 260 A CA 0.728 52.468 52.037 -0.495 0.000 0.754 260 A CB -0.580 17.763 19.000 -1.095 0.000 0.977 260 A HN 0.620 nan 8.150 nan 0.000 0.509 261 N N 2.302 120.786 118.700 -0.360 0.000 2.558 261 N HA 0.379 5.118 4.740 -0.000 0.000 0.285 261 N C -2.630 172.756 175.510 -0.207 0.000 1.112 261 N CA -1.975 50.923 53.050 -0.253 0.000 0.857 261 N CB 1.828 40.263 38.487 -0.087 0.000 1.376 261 N HN 0.070 nan 8.380 nan 0.000 0.526 262 P HA 0.026 nan 4.420 nan 0.000 0.225 262 P C 0.408 177.792 177.300 0.141 0.000 1.148 262 P CA 1.036 63.932 63.100 -0.341 0.000 0.779 262 P CB 0.305 31.772 31.700 -0.390 0.000 0.780 263 L N -1.480 119.799 121.223 0.093 0.000 2.984 263 L HA 0.235 4.575 4.340 -0.000 0.000 0.246 263 L C -0.267 176.663 176.870 0.100 0.000 1.268 263 L CA -0.216 54.688 54.840 0.107 0.000 1.054 263 L CB 0.419 42.495 42.059 0.028 0.000 1.393 263 L HN -0.297 nan 8.230 nan 0.000 0.532 264 V N -0.985 119.033 119.914 0.173 0.000 2.674 264 V HA 0.118 4.238 4.120 -0.000 0.000 0.279 264 V C -0.151 175.822 176.094 -0.201 0.000 1.051 264 V CA -0.434 61.868 62.300 0.004 0.000 0.912 264 V CB 1.936 33.753 31.823 -0.009 0.000 1.044 264 V HN 0.145 nan 8.190 nan 0.000 0.464 265 T N 6.882 121.153 114.554 -0.471 0.000 2.794 265 T HA 0.400 4.750 4.350 -0.000 0.000 0.296 265 T C -2.278 172.026 174.700 -0.660 0.000 0.949 265 T CA -0.836 60.643 62.100 -1.035 0.000 1.101 265 T CB 1.372 69.740 68.868 -0.834 0.000 0.905 265 T HN 0.357 nan 8.240 nan 0.000 0.516 266 P HA 0.174 nan 4.420 nan 0.000 0.269 266 P C -1.760 175.345 177.300 -0.325 0.000 1.215 266 P CA -1.265 61.614 63.100 -0.369 0.000 0.780 266 P CB 0.205 31.753 31.700 -0.253 0.000 0.898 267 P HA -0.102 nan 4.420 nan 0.000 0.215 267 P C -0.419 176.606 177.300 -0.458 0.000 1.157 267 P CA 1.416 64.246 63.100 -0.450 0.000 0.863 267 P CB 0.023 31.351 31.700 -0.621 0.000 0.787 268 H N -1.235 117.813 119.070 -0.037 0.000 2.792 268 H HA 0.358 4.914 4.556 -0.000 0.000 0.298 268 H C -0.288 175.042 175.328 0.003 0.000 1.042 268 H CA -0.608 55.437 56.048 -0.004 0.000 1.300 268 H CB 0.439 30.207 29.762 0.010 0.000 1.431 268 H HN -0.037 nan 8.280 nan 0.000 0.496 269 I N 5.396 126.034 120.570 0.114 0.000 2.243 269 I HA 0.063 4.233 4.170 -0.000 0.000 0.297 269 I C -0.033 176.120 176.117 0.061 0.000 1.161 269 I CA -0.053 61.295 61.300 0.081 0.000 1.298 269 I CB -0.384 37.667 38.000 0.085 0.000 1.475 269 I HN 0.507 nan 8.210 nan 0.000 0.561 270 K N 7.495 127.904 120.400 0.015 0.000 2.267 270 K HA 0.733 5.053 4.320 -0.000 0.000 0.246 270 K C -2.870 173.620 176.600 -0.183 0.000 0.954 270 K CA -1.681 54.557 56.287 -0.082 0.000 0.824 270 K CB 2.114 34.631 32.500 0.027 0.000 1.167 270 K HN 0.024 nan 8.250 nan 0.000 0.431 271 P HA 0.117 nan 4.420 nan 0.000 0.293 271 P C -0.750 176.335 177.300 -0.359 0.000 1.304 271 P CA -0.403 62.506 63.100 -0.318 0.000 0.767 271 P CB 0.508 32.043 31.700 -0.276 0.000 1.247 272 E N 0.004 119.804 120.200 -0.668 0.000 2.390 272 E HA -0.022 4.328 4.350 -0.000 0.000 0.261 272 E C 1.637 177.782 176.600 -0.758 0.000 1.076 272 E CA -0.158 55.725 56.400 -0.861 0.000 0.905 272 E CB 0.170 28.892 29.700 -1.630 0.000 0.984 272 E HN 0.630 nan 8.360 nan 0.000 0.427 273 W N 3.967 124.988 121.300 -0.464 0.000 2.290 273 W HA -0.344 4.316 4.660 -0.000 0.000 0.323 273 W C 1.445 177.885 176.519 -0.131 0.000 1.260 273 W CA 1.702 58.924 57.345 -0.204 0.000 1.266 273 W CB -1.432 27.998 29.460 -0.050 0.000 1.149 273 W HN 0.661 nan 8.180 nan 0.000 0.482 274 Y N -2.034 117.567 120.300 -1.165 0.000 2.736 274 Y HA 0.055 4.605 4.550 -0.000 0.000 0.298 274 Y C 1.709 177.479 175.900 -0.216 0.000 1.156 274 Y CA 0.764 58.253 58.100 -1.019 0.000 1.384 274 Y CB -1.876 35.399 38.460 -1.975 0.000 0.976 274 Y HN 0.013 nan 8.280 nan 0.000 0.556 275 F N -1.284 118.484 119.950 -0.302 0.000 2.784 275 F HA 0.170 4.697 4.527 -0.000 0.000 0.323 275 F C 1.784 177.427 175.800 -0.261 0.000 1.085 275 F CA -0.404 57.444 58.000 -0.252 0.000 1.196 275 F CB 0.315 39.133 39.000 -0.304 0.000 1.053 275 F HN 0.030 nan 8.300 nan 0.000 0.578 276 L N 0.687 121.951 121.223 0.068 0.000 1.976 276 L HA -0.334 4.006 4.340 -0.000 0.000 0.223 276 L C 2.650 179.541 176.870 0.035 0.000 1.081 276 L CA 2.329 57.220 54.840 0.084 0.000 0.784 276 L CB -1.138 41.004 42.059 0.137 0.000 0.896 276 L HN 0.292 nan 8.230 nan 0.000 0.438 277 F N 0.579 120.544 119.950 0.025 0.000 2.111 277 F HA -0.306 4.221 4.527 -0.000 0.000 0.300 277 F C 2.314 178.067 175.800 -0.078 0.000 1.088 277 F CA 1.326 59.290 58.000 -0.059 0.000 1.243 277 F CB -1.043 37.877 39.000 -0.133 0.000 0.996 277 F HN -0.000 nan 8.300 nan 0.000 0.483 278 A N -0.684 121.259 122.820 -1.463 0.000 1.968 278 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 278 A C 2.127 179.496 177.584 -0.358 0.000 1.169 278 A CA 1.170 52.586 52.037 -1.034 0.000 0.638 278 A CB -1.557 16.762 19.000 -1.135 0.000 0.812 278 A HN 0.620 nan 8.150 nan 0.000 0.446 279 Y N 0.785 120.862 120.300 -0.373 0.000 2.293 279 Y HA -0.027 4.523 4.550 -0.000 0.000 0.291 279 Y C 2.550 178.354 175.900 -0.159 0.000 1.137 279 Y CA 0.555 58.531 58.100 -0.208 0.000 1.202 279 Y CB -0.562 37.815 38.460 -0.139 0.000 0.990 279 Y HN 0.320 nan 8.280 nan 0.000 0.537 280 A N 0.304 123.039 122.820 -0.141 0.000 1.855 280 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 280 A C 2.339 179.828 177.584 -0.159 0.000 1.191 280 A CA 1.862 53.793 52.037 -0.177 0.000 0.613 280 A CB -1.113 17.825 19.000 -0.103 0.000 0.829 280 A HN 0.454 nan 8.150 nan 0.000 0.442 281 I N -0.550 119.944 120.570 -0.126 0.000 2.264 281 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 281 I C 2.457 178.536 176.117 -0.062 0.000 1.111 281 I CA 1.300 62.565 61.300 -0.059 0.000 1.382 281 I CB -0.304 37.674 38.000 -0.036 0.000 1.060 281 I HN 0.432 nan 8.210 nan 0.000 0.418 282 L N 1.237 122.390 121.223 -0.117 0.000 1.989 282 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 282 L C 2.510 179.300 176.870 -0.134 0.000 1.071 282 L CA 1.928 56.703 54.840 -0.109 0.000 0.749 282 L CB -0.541 41.452 42.059 -0.109 0.000 0.890 282 L HN 0.107 nan 8.230 nan 0.000 0.431 283 R N -0.549 119.812 120.500 -0.231 0.000 2.316 283 R HA -0.013 4.327 4.340 -0.000 0.000 0.202 283 R C 2.261 178.489 176.300 -0.120 0.000 1.029 283 R CA 0.870 56.843 56.100 -0.211 0.000 1.018 283 R CB -0.492 29.608 30.300 -0.333 0.000 0.888 283 R HN 0.671 nan 8.270 nan 0.000 0.471 284 S N 0.577 116.225 115.700 -0.087 0.000 2.402 284 S HA -0.021 4.449 4.470 -0.000 0.000 0.229 284 S C 1.076 175.666 174.600 -0.016 0.000 1.021 284 S CA 0.521 58.700 58.200 -0.036 0.000 0.974 284 S CB 0.110 63.311 63.200 0.003 0.000 0.800 284 S HN 0.047 nan 8.310 nan 0.000 0.484 285 I N 4.288 124.846 120.570 -0.020 0.000 2.347 285 I HA 0.370 4.540 4.170 -0.000 0.000 0.283 285 I C -2.559 173.546 176.117 -0.020 0.000 1.058 285 I CA -2.945 58.347 61.300 -0.013 0.000 1.202 285 I CB 0.474 38.468 38.000 -0.011 0.000 1.386 285 I HN 0.125 nan 8.210 nan 0.000 0.475 286 P HA 0.123 nan 4.420 nan 0.000 0.270 286 P C -0.185 177.110 177.300 -0.008 0.000 1.242 286 P CA 0.189 63.280 63.100 -0.015 0.000 0.768 286 P CB 0.797 32.492 31.700 -0.009 0.000 0.820 287 N N 3.444 122.140 118.700 -0.007 0.000 7.332 287 N HA -0.082 4.658 4.740 -0.000 0.000 0.103 287 N C 0.587 176.095 175.510 -0.004 0.000 0.950 287 N CA -0.232 52.817 53.050 -0.003 0.000 1.221 287 N CB -0.181 38.303 38.487 -0.005 0.000 1.319 287 N HN 0.251 nan 8.380 nan 0.000 1.323 288 K N 1.423 121.824 120.400 0.003 0.000 2.090 288 K HA -0.229 4.091 4.320 -0.000 0.000 0.218 288 K C 1.729 178.329 176.600 -0.000 0.000 1.055 288 K CA 2.249 58.538 56.287 0.003 0.000 0.941 288 K CB 0.021 32.529 32.500 0.013 0.000 0.722 288 K HN 0.431 nan 8.250 nan 0.000 0.458 289 L N 0.120 121.342 121.223 -0.002 0.000 2.056 289 L HA -0.005 4.335 4.340 -0.000 0.000 0.207 289 L C 2.147 179.011 176.870 -0.011 0.000 1.078 289 L CA 2.251 57.086 54.840 -0.007 0.000 0.749 289 L CB -1.064 40.984 42.059 -0.017 0.000 0.901 289 L HN 0.305 nan 8.230 nan 0.000 0.433 290 G N -1.042 107.749 108.800 -0.015 0.000 2.421 290 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 290 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 290 G C 1.550 176.439 174.900 -0.017 0.000 1.171 290 G CA 0.585 45.672 45.100 -0.020 0.000 0.775 290 G HN 0.575 nan 8.290 nan 0.000 0.543 291 G N 0.386 109.177 108.800 -0.014 0.000 2.469 291 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.219 291 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.219 291 G C 1.782 176.678 174.900 -0.007 0.000 1.150 291 G CA 1.280 46.371 45.100 -0.016 0.000 0.763 291 G HN 0.336 nan 8.290 nan 0.000 0.561 292 V N 1.050 120.964 119.914 0.001 0.000 2.223 292 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 292 V C 2.953 179.058 176.094 0.019 0.000 1.045 292 V CA 1.857 64.168 62.300 0.019 0.000 1.000 292 V CB -0.636 31.211 31.823 0.040 0.000 0.635 292 V HN 0.384 nan 8.190 nan 0.000 0.445 293 L N 0.238 121.465 121.223 0.006 0.000 2.021 293 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 293 L C 2.733 179.606 176.870 0.005 0.000 1.074 293 L CA 1.945 56.784 54.840 -0.001 0.000 0.760 293 L CB -1.008 41.037 42.059 -0.025 0.000 0.889 293 L HN 0.401 nan 8.230 nan 0.000 0.433 294 A N -0.157 122.661 122.820 -0.003 0.000 1.917 294 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 294 A C 2.218 179.879 177.584 0.127 0.000 1.182 294 A CA 2.067 54.121 52.037 0.028 0.000 0.633 294 A CB -0.707 18.315 19.000 0.036 0.000 0.819 294 A HN 0.357 nan 8.150 nan 0.000 0.448 295 L N -0.304 120.957 121.223 0.063 0.000 2.005 295 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 295 L C 2.674 179.585 176.870 0.070 0.000 1.072 295 L CA 2.265 57.127 54.840 0.037 0.000 0.744 295 L CB -1.216 40.830 42.059 -0.020 0.000 0.895 295 L HN 0.361 nan 8.230 nan 0.000 0.433 296 A N 0.046 122.904 122.820 0.063 0.000 1.852 296 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 296 A C 2.499 180.166 177.584 0.139 0.000 1.215 296 A CA 2.864 54.947 52.037 0.077 0.000 0.641 296 A CB -1.621 17.414 19.000 0.058 0.000 0.838 296 A HN 0.666 nan 8.150 nan 0.000 0.450 297 A N 0.092 123.004 122.820 0.154 0.000 1.971 297 A HA -0.235 4.085 4.320 -0.000 0.000 0.222 297 A C 2.515 180.371 177.584 0.453 0.000 1.182 297 A CA 3.134 55.316 52.037 0.242 0.000 0.649 297 A CB -1.324 17.739 19.000 0.104 0.000 0.818 297 A HN 1.341 nan 8.150 nan 0.000 0.458 298 S N -0.759 115.233 115.700 0.486 0.000 2.374 298 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 298 S C 1.686 176.490 174.600 0.339 0.000 1.037 298 S CA 1.870 60.340 58.200 0.449 0.000 1.024 298 S CB -0.823 62.509 63.200 0.221 0.000 0.861 298 S HN 0.351 nan 8.310 nan 0.000 0.456 299 V N 1.481 121.540 119.914 0.242 0.000 2.685 299 V HA 0.193 4.313 4.120 -0.000 0.000 0.244 299 V C 2.423 178.580 176.094 0.105 0.000 1.054 299 V CA 0.832 63.237 62.300 0.175 0.000 1.076 299 V CB -0.625 31.275 31.823 0.129 0.000 0.725 299 V HN 0.434 nan 8.190 nan 0.000 0.467 300 L N -0.209 121.101 121.223 0.146 0.000 2.265 300 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 300 L C 2.445 179.444 176.870 0.214 0.000 1.117 300 L CA 1.125 56.070 54.840 0.174 0.000 0.782 300 L CB -0.621 41.587 42.059 0.249 0.000 0.914 300 L HN 0.331 nan 8.230 nan 0.000 0.441 301 I N 0.502 121.221 120.570 0.249 0.000 2.300 301 I HA -0.314 3.856 4.170 -0.000 0.000 0.252 301 I C 2.241 178.475 176.117 0.196 0.000 1.119 301 I CA 1.536 62.992 61.300 0.260 0.000 1.384 301 I CB -0.186 38.002 38.000 0.314 0.000 1.062 301 I HN 0.142 nan 8.210 nan 0.000 0.426 302 L N -1.028 120.273 121.223 0.130 0.000 2.189 302 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 302 L C 2.266 179.300 176.870 0.273 0.000 1.097 302 L CA 1.425 56.348 54.840 0.138 0.000 0.764 302 L CB -0.664 41.357 42.059 -0.063 0.000 0.900 302 L HN 0.212 nan 8.230 nan 0.000 0.436 303 F N -0.796 119.306 119.950 0.253 0.000 2.407 303 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 303 F C 2.002 177.937 175.800 0.225 0.000 1.097 303 F CA 0.427 58.581 58.000 0.257 0.000 1.422 303 F CB 0.047 39.163 39.000 0.194 0.000 1.067 303 F HN 0.025 nan 8.300 nan 0.000 0.539 304 L N -0.762 120.673 121.223 0.355 0.000 2.477 304 L HA -0.076 4.264 4.340 -0.000 0.000 0.220 304 L C 2.155 179.053 176.870 0.048 0.000 1.106 304 L CA -0.153 54.857 54.840 0.283 0.000 0.851 304 L CB -0.324 41.880 42.059 0.241 0.000 0.994 304 L HN 0.094 nan 8.230 nan 0.000 0.462 305 I N 1.117 121.626 120.570 -0.102 0.000 2.113 305 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 305 I C 0.017 175.743 176.117 -0.651 0.000 1.064 305 I CA 2.034 63.066 61.300 -0.447 0.000 1.320 305 I CB -2.443 35.129 38.000 -0.714 0.000 1.028 305 I HN 0.163 nan 8.210 nan 0.000 0.406 306 P HA -0.181 nan 4.420 nan 0.000 0.217 306 P C 1.535 178.556 177.300 -0.464 0.000 1.148 306 P CA 1.568 64.289 63.100 -0.630 0.000 0.834 306 P CB -0.165 31.061 31.700 -0.789 0.000 0.783 307 F N -2.227 117.690 119.950 -0.056 0.000 2.765 307 F HA 0.166 4.693 4.527 -0.000 0.000 0.302 307 F C 1.565 177.356 175.800 -0.014 0.000 1.111 307 F CA 0.437 58.431 58.000 -0.011 0.000 1.359 307 F CB -0.687 38.318 39.000 0.007 0.000 1.097 307 F HN -0.158 nan 8.300 nan 0.000 0.577 308 L N -0.744 120.510 121.223 0.052 0.000 2.872 308 L HA 0.186 4.526 4.340 -0.000 0.000 0.245 308 L C -0.181 176.685 176.870 -0.007 0.000 1.211 308 L CA -0.159 54.694 54.840 0.023 0.000 1.013 308 L CB -0.499 41.549 42.059 -0.019 0.000 1.326 308 L HN 0.054 nan 8.230 nan 0.000 0.525 309 H N 0.771 119.799 119.070 -0.069 0.000 2.652 309 H HA 0.207 4.763 4.556 -0.000 0.000 0.298 309 H C 0.726 176.049 175.328 -0.009 0.000 1.076 309 H CA -0.135 55.886 56.048 -0.044 0.000 1.360 309 H CB 0.845 30.619 29.762 0.020 0.000 1.421 309 H HN -0.126 nan 8.280 nan 0.000 0.464 310 K N 2.783 123.013 120.400 -0.284 0.000 2.399 310 K HA 0.061 4.381 4.320 -0.000 0.000 0.196 310 K C 0.744 177.225 176.600 -0.199 0.000 1.103 310 K CA -0.005 56.198 56.287 -0.140 0.000 0.986 310 K CB 0.423 32.876 32.500 -0.079 0.000 0.952 310 K HN 0.498 nan 8.250 nan 0.000 0.541 311 S N 1.406 116.830 115.700 -0.460 0.000 2.560 311 S HA -0.006 4.464 4.470 -0.000 0.000 0.276 311 S C 1.054 175.628 174.600 -0.042 0.000 1.350 311 S CA 0.215 58.263 58.200 -0.255 0.000 1.024 311 S CB 0.584 63.605 63.200 -0.299 0.000 0.864 311 S HN 0.071 nan 8.310 nan 0.000 0.536 312 K N 1.510 121.899 120.400 -0.019 0.000 2.393 312 K HA 0.138 4.457 4.320 -0.000 0.000 0.193 312 K C 0.248 176.848 176.600 0.001 0.000 1.026 312 K CA 0.390 56.651 56.287 -0.043 0.000 1.064 312 K CB 0.211 32.599 32.500 -0.185 0.000 0.833 312 K HN 0.641 nan 8.250 nan 0.000 0.521 313 Q N -0.105 119.728 119.800 0.054 0.000 2.301 313 Q HA 0.290 4.630 4.340 -0.000 0.000 0.267 313 Q C 0.631 176.681 176.000 0.084 0.000 1.035 313 Q CA -0.417 55.423 55.803 0.062 0.000 0.856 313 Q CB 2.437 31.227 28.738 0.087 0.000 1.337 313 Q HN -0.043 nan 8.270 nan 0.000 0.450 314 R N 0.339 120.838 120.500 -0.002 0.000 2.052 314 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 314 R C 0.807 177.037 176.300 -0.116 0.000 1.145 314 R CA 1.627 57.673 56.100 -0.091 0.000 0.952 314 R CB -0.024 30.168 30.300 -0.181 0.000 0.847 314 R HN 0.810 nan 8.270 nan 0.000 0.431 315 T N -2.236 112.221 114.554 -0.161 0.000 2.810 315 T HA 0.213 4.563 4.350 -0.000 0.000 0.277 315 T C 0.919 175.358 174.700 -0.435 0.000 0.973 315 T CA -0.605 61.320 62.100 -0.292 0.000 0.949 315 T CB 1.045 69.793 68.868 -0.200 0.000 1.075 315 T HN 0.132 nan 8.240 nan 0.000 0.537 316 M N 0.267 119.387 119.600 -0.801 0.000 2.431 316 M HA 0.112 4.592 4.480 -0.000 0.000 0.237 316 M C 1.797 177.699 176.300 -0.664 0.000 1.130 316 M CA -0.127 54.688 55.300 -0.809 0.000 1.002 316 M CB -0.178 31.654 32.600 -1.279 0.000 1.524 316 M HN 0.780 nan 8.290 nan 0.000 0.482 317 T N 0.496 114.671 114.554 -0.633 0.000 2.720 317 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 317 T C 0.747 175.230 174.700 -0.363 0.000 1.037 317 T CA 1.503 63.285 62.100 -0.529 0.000 1.144 317 T CB -0.231 68.126 68.868 -0.852 0.000 0.864 317 T HN 0.406 nan 8.240 nan 0.000 0.444 318 F N 0.948 120.875 119.950 -0.039 0.000 2.925 318 F HA 0.403 4.930 4.527 -0.000 0.000 0.302 318 F C 0.809 176.598 175.800 -0.019 0.000 1.189 318 F CA -0.672 57.325 58.000 -0.006 0.000 1.346 318 F CB 0.254 39.260 39.000 0.011 0.000 0.954 318 F HN -0.296 nan 8.300 nan 0.000 0.506 319 R N 1.568 122.097 120.500 0.049 0.000 2.585 319 R HA 0.165 4.505 4.340 -0.000 0.000 0.278 319 R C -2.083 174.233 176.300 0.026 0.000 1.663 319 R CA -1.308 54.804 56.100 0.021 0.000 1.592 319 R CB 0.684 30.953 30.300 -0.053 0.000 1.200 319 R HN -0.021 nan 8.270 nan 0.000 0.611 320 P HA -0.215 nan 4.420 nan 0.000 0.216 320 P C 1.173 178.528 177.300 0.091 0.000 1.150 320 P CA 1.285 64.442 63.100 0.094 0.000 0.843 320 P CB 0.393 32.149 31.700 0.093 0.000 0.787 321 L N -0.468 120.794 121.223 0.066 0.000 2.027 321 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 321 L C 2.758 179.671 176.870 0.071 0.000 1.074 321 L CA 1.645 56.518 54.840 0.056 0.000 0.745 321 L CB -1.247 40.831 42.059 0.032 0.000 0.898 321 L HN 0.000 nan 8.230 nan 0.000 0.433 322 S N -0.512 115.237 115.700 0.082 0.000 2.382 322 S HA -0.222 4.248 4.470 -0.000 0.000 0.228 322 S C 1.933 176.660 174.600 0.211 0.000 1.027 322 S CA 1.204 59.506 58.200 0.171 0.000 0.991 322 S CB -0.195 63.059 63.200 0.091 0.000 0.823 322 S HN 0.441 nan 8.310 nan 0.000 0.469 323 Q N 0.387 120.271 119.800 0.141 0.000 2.084 323 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 323 Q C 2.616 178.840 176.000 0.373 0.000 0.978 323 Q CA 1.817 57.767 55.803 0.245 0.000 0.844 323 Q CB -0.536 28.367 28.738 0.276 0.000 0.898 323 Q HN 0.797 nan 8.270 nan 0.000 0.426 324 T N -0.543 114.182 114.554 0.286 0.000 2.812 324 T HA -0.101 4.249 4.350 -0.000 0.000 0.264 324 T C 1.823 176.638 174.700 0.192 0.000 1.042 324 T CA 0.593 62.864 62.100 0.285 0.000 1.140 324 T CB -0.334 68.633 68.868 0.166 0.000 0.870 324 T HN 0.065 nan 8.240 nan 0.000 0.445 325 L N 0.662 121.935 121.223 0.082 0.000 2.043 325 L HA 0.079 4.419 4.340 -0.000 0.000 0.212 325 L C 2.189 179.059 176.870 0.000 0.000 1.075 325 L CA 1.490 56.262 54.840 -0.113 0.000 0.752 325 L CB -1.313 40.502 42.059 -0.406 0.000 0.891 325 L HN 0.356 nan 8.230 nan 0.000 0.432 326 F N -1.148 118.878 119.950 0.126 0.000 2.095 326 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 326 F C 1.916 177.628 175.800 -0.147 0.000 1.104 326 F CA 1.894 59.952 58.000 0.096 0.000 1.232 326 F CB -0.638 38.291 39.000 -0.118 0.000 0.987 326 F HN 0.122 nan 8.300 nan 0.000 0.475 327 W N -0.353 121.035 121.300 0.147 0.000 2.519 327 W HA -0.058 4.602 4.660 -0.000 0.000 0.266 327 W C 2.042 178.516 176.519 -0.075 0.000 1.253 327 W CA 0.069 57.409 57.345 -0.009 0.000 1.274 327 W CB -0.427 29.092 29.460 0.098 0.000 1.114 327 W HN 0.070 nan 8.180 nan 0.000 0.596 328 L N -0.197 121.100 121.223 0.123 0.000 2.005 328 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 328 L C 2.423 179.277 176.870 -0.027 0.000 1.072 328 L CA 1.477 56.342 54.840 0.041 0.000 0.744 328 L CB -1.290 40.761 42.059 -0.013 0.000 0.895 328 L HN -0.004 nan 8.230 nan 0.000 0.433 329 L N -1.207 119.952 121.223 -0.107 0.000 2.013 329 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 329 L C 2.371 179.150 176.870 -0.152 0.000 1.073 329 L CA 1.847 56.606 54.840 -0.135 0.000 0.753 329 L CB -0.636 41.320 42.059 -0.172 0.000 0.890 329 L HN 0.095 nan 8.230 nan 0.000 0.432 330 V N 0.203 119.965 119.914 -0.253 0.000 2.255 330 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 330 V C 2.829 178.899 176.094 -0.041 0.000 1.051 330 V CA 1.861 64.051 62.300 -0.183 0.000 1.018 330 V CB -1.710 30.052 31.823 -0.102 0.000 0.641 330 V HN 0.636 nan 8.190 nan 0.000 0.445 331 A N 0.337 123.170 122.820 0.022 0.000 1.908 331 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 331 A C 2.188 179.786 177.584 0.023 0.000 1.181 331 A CA 2.122 54.179 52.037 0.033 0.000 0.627 331 A CB -0.864 18.164 19.000 0.047 0.000 0.818 331 A HN 0.575 nan 8.150 nan 0.000 0.445 332 N N 0.400 119.109 118.700 0.015 0.000 2.061 332 N HA -0.159 4.581 4.740 -0.000 0.000 0.193 332 N C 1.655 177.185 175.510 0.033 0.000 1.030 332 N CA 1.908 54.980 53.050 0.038 0.000 0.856 332 N CB -0.434 38.081 38.487 0.047 0.000 1.023 332 N HN 0.531 nan 8.380 nan 0.000 0.424 333 L N 0.453 121.668 121.223 -0.014 0.000 2.083 333 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 333 L C 2.514 179.376 176.870 -0.013 0.000 1.083 333 L CA 0.594 55.391 54.840 -0.072 0.000 0.752 333 L CB -0.380 41.563 42.059 -0.194 0.000 0.899 333 L HN 0.187 nan 8.230 nan 0.000 0.433 334 L N -0.369 120.860 121.223 0.010 0.000 2.046 334 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 334 L C 2.498 179.443 176.870 0.124 0.000 1.077 334 L CA 1.467 56.338 54.840 0.052 0.000 0.747 334 L CB -0.317 41.759 42.059 0.028 0.000 0.896 334 L HN 0.233 nan 8.230 nan 0.000 0.432 335 I N -0.519 120.130 120.570 0.132 0.000 2.179 335 I HA -0.337 3.833 4.170 -0.000 0.000 0.242 335 I C 2.433 178.685 176.117 0.225 0.000 1.088 335 I CA 1.303 62.753 61.300 0.250 0.000 1.357 335 I CB -0.236 37.892 38.000 0.212 0.000 1.051 335 I HN 0.221 nan 8.210 nan 0.000 0.409 336 L N 0.069 121.364 121.223 0.120 0.000 2.079 336 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 336 L C 2.646 179.575 176.870 0.098 0.000 1.081 336 L CA 1.580 56.463 54.840 0.072 0.000 0.752 336 L CB -0.844 41.239 42.059 0.041 0.000 0.896 336 L HN 0.292 nan 8.230 nan 0.000 0.433 337 T N -1.325 113.322 114.554 0.155 0.000 2.684 337 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 337 T C 1.296 176.098 174.700 0.169 0.000 1.036 337 T CA 1.710 63.922 62.100 0.185 0.000 1.148 337 T CB -0.407 68.580 68.868 0.198 0.000 0.863 337 T HN 0.532 nan 8.240 nan 0.000 0.436 338 W N 2.092 123.384 121.300 -0.015 0.000 2.354 338 W HA -0.078 4.582 4.660 -0.000 0.000 0.315 338 W C 1.698 178.130 176.519 -0.144 0.000 1.206 338 W CA 0.472 57.774 57.345 -0.072 0.000 1.290 338 W CB -0.686 28.731 29.460 -0.072 0.000 1.152 338 W HN 0.050 nan 8.180 nan 0.000 0.489 339 I N 1.443 121.778 120.570 -0.392 0.000 2.208 339 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 339 I C 2.546 178.418 176.117 -0.408 0.000 1.097 339 I CA 1.918 62.841 61.300 -0.629 0.000 1.363 339 I CB -2.091 35.704 38.000 -0.342 0.000 1.051 339 I HN 0.247 nan 8.210 nan 0.000 0.413 340 G N 0.399 109.091 108.800 -0.179 0.000 2.479 340 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 340 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 340 G C 1.630 176.513 174.900 -0.029 0.000 1.115 340 G CA 1.122 46.189 45.100 -0.056 0.000 0.757 340 G HN 0.560 nan 8.290 nan 0.000 0.560 341 S N -1.137 114.483 115.700 -0.132 0.000 2.575 341 S HA 0.252 4.722 4.470 -0.000 0.000 0.215 341 S C 0.851 175.300 174.600 -0.251 0.000 0.966 341 S CA -0.154 57.976 58.200 -0.116 0.000 0.911 341 S CB 0.233 63.404 63.200 -0.048 0.000 0.780 341 S HN 0.223 nan 8.310 nan 0.000 0.514 342 Q N 2.066 121.591 119.800 -0.457 0.000 2.204 342 Q HA 0.555 4.895 4.340 -0.000 0.000 0.254 342 Q C -2.534 173.287 176.000 -0.300 0.000 0.981 342 Q CA -2.336 53.118 55.803 -0.581 0.000 0.897 342 Q CB 0.660 28.528 28.738 -1.451 0.000 1.273 342 Q HN 0.227 nan 8.270 nan 0.000 0.464 343 P HA 0.088 nan 4.420 nan 0.000 0.274 343 P C -0.414 176.921 177.300 0.058 0.000 1.260 343 P CA -0.283 62.820 63.100 0.004 0.000 0.793 343 P CB 0.521 32.256 31.700 0.058 0.000 1.048 344 V N 0.567 120.509 119.914 0.046 0.000 2.221 344 V HA 0.271 4.391 4.120 -0.000 0.000 0.258 344 V C 0.461 176.586 176.094 0.051 0.000 1.179 344 V CA 0.325 62.641 62.300 0.028 0.000 1.022 344 V CB -1.318 30.498 31.823 -0.011 0.000 1.228 344 V HN 0.507 nan 8.190 nan 0.000 0.487 345 E N 0.587 120.834 120.200 0.079 0.000 2.430 345 E HA 0.394 4.744 4.350 -0.000 0.000 0.279 345 E C -1.132 175.440 176.600 -0.047 0.000 1.003 345 E CA -1.147 55.270 56.400 0.027 0.000 0.801 345 E CB 2.076 31.782 29.700 0.010 0.000 1.313 345 E HN 0.670 nan 8.360 nan 0.000 0.459 346 H N 2.413 121.406 119.070 -0.128 0.000 2.790 346 H HA 0.078 4.634 4.556 -0.000 0.000 0.358 346 H C -1.525 173.572 175.328 -0.384 0.000 1.103 346 H CA -0.871 55.073 56.048 -0.173 0.000 1.426 346 H CB 0.927 30.620 29.762 -0.114 0.000 1.424 346 H HN 0.239 nan 8.280 nan 0.000 0.599 347 P HA -0.061 nan 4.420 nan 0.000 0.239 347 P C 1.157 178.188 177.300 -0.448 0.000 1.188 347 P CA 0.701 63.060 63.100 -1.236 0.000 0.794 347 P CB 0.197 31.356 31.700 -0.903 0.000 0.937 348 F N 0.672 120.443 119.950 -0.298 0.000 2.147 348 F HA -0.220 4.307 4.527 -0.000 0.000 0.301 348 F C 2.476 178.154 175.800 -0.203 0.000 1.084 348 F CA 0.572 58.395 58.000 -0.296 0.000 1.268 348 F CB -0.925 37.876 39.000 -0.331 0.000 1.009 348 F HN -0.196 nan 8.300 nan 0.000 0.486 349 I N -0.321 120.272 120.570 0.039 0.000 2.179 349 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 349 I C 2.434 178.567 176.117 0.026 0.000 1.088 349 I CA 1.236 62.551 61.300 0.024 0.000 1.357 349 I CB -0.453 37.570 38.000 0.038 0.000 1.051 349 I HN 0.141 nan 8.210 nan 0.000 0.409 350 I N 1.216 121.811 120.570 0.040 0.000 2.233 350 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 350 I C 2.307 178.451 176.117 0.044 0.000 1.093 350 I CA 1.532 62.865 61.300 0.055 0.000 1.380 350 I CB -0.234 37.825 38.000 0.097 0.000 1.067 350 I HN 0.051 nan 8.210 nan 0.000 0.413 351 I N 0.478 121.071 120.570 0.038 0.000 2.248 351 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 351 I C 2.503 178.647 176.117 0.046 0.000 1.107 351 I CA 1.454 62.794 61.300 0.065 0.000 1.373 351 I CB -1.236 36.827 38.000 0.106 0.000 1.055 351 I HN 0.391 nan 8.210 nan 0.000 0.418 352 G N 0.260 109.064 108.800 0.008 0.000 2.459 352 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 352 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 352 G C 1.543 176.453 174.900 0.018 0.000 1.183 352 G CA 0.531 45.623 45.100 -0.015 0.000 0.776 352 G HN 0.418 nan 8.290 nan 0.000 0.552 353 Q N -0.654 119.163 119.800 0.028 0.000 2.224 353 Q HA 0.037 4.377 4.340 -0.000 0.000 0.203 353 Q C 2.672 178.713 176.000 0.068 0.000 0.970 353 Q CA 0.818 56.650 55.803 0.048 0.000 0.865 353 Q CB -0.136 28.627 28.738 0.041 0.000 0.922 353 Q HN 0.338 nan 8.270 nan 0.000 0.445 354 M N 0.089 119.728 119.600 0.064 0.000 2.064 354 M HA -0.062 4.418 4.480 -0.000 0.000 0.260 354 M C 2.373 178.723 176.300 0.084 0.000 1.073 354 M CA 1.558 56.902 55.300 0.072 0.000 1.124 354 M CB -1.311 31.330 32.600 0.069 0.000 1.326 354 M HN 0.254 nan 8.290 nan 0.000 0.410 355 A N -0.187 122.682 122.820 0.082 0.000 1.940 355 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 355 A C 2.539 180.187 177.584 0.106 0.000 1.176 355 A CA 2.322 54.411 52.037 0.087 0.000 0.631 355 A CB -0.923 18.123 19.000 0.077 0.000 0.814 355 A HN 0.506 nan 8.150 nan 0.000 0.446 356 S N -0.886 114.877 115.700 0.105 0.000 2.368 356 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 356 S C 1.837 176.606 174.600 0.283 0.000 1.029 356 S CA 1.331 59.629 58.200 0.164 0.000 0.988 356 S CB -0.335 62.958 63.200 0.155 0.000 0.838 356 S HN 0.450 nan 8.310 nan 0.000 0.462 357 L N 2.196 123.545 121.223 0.210 0.000 2.027 357 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 357 L C 2.493 179.474 176.870 0.186 0.000 1.074 357 L CA 2.140 57.107 54.840 0.212 0.000 0.745 357 L CB -1.146 40.989 42.059 0.127 0.000 0.898 357 L HN 0.409 nan 8.230 nan 0.000 0.433 358 S N -1.699 114.076 115.700 0.126 0.000 2.382 358 S HA -0.300 4.170 4.470 -0.000 0.000 0.228 358 S C 2.093 176.723 174.600 0.051 0.000 1.027 358 S CA 1.239 59.482 58.200 0.071 0.000 0.991 358 S CB -1.325 61.906 63.200 0.052 0.000 0.823 358 S HN 0.535 nan 8.310 nan 0.000 0.469 359 Y N 2.138 122.403 120.300 -0.058 0.000 2.030 359 Y HA -0.200 4.349 4.550 -0.000 0.000 0.274 359 Y C 1.896 177.666 175.900 -0.216 0.000 1.153 359 Y CA 1.672 59.656 58.100 -0.193 0.000 1.115 359 Y CB -0.941 37.317 38.460 -0.337 0.000 0.969 359 Y HN 0.263 nan 8.280 nan 0.000 0.488 360 F N -0.271 119.675 119.950 -0.007 0.000 2.293 360 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 360 F C 2.356 178.100 175.800 -0.094 0.000 1.086 360 F CA 1.652 59.599 58.000 -0.089 0.000 1.375 360 F CB -0.754 38.282 39.000 0.061 0.000 1.045 360 F HN 0.031 nan 8.300 nan 0.000 0.516 361 T N 0.698 115.306 114.554 0.090 0.000 2.701 361 T HA -0.151 4.199 4.350 -0.000 0.000 0.263 361 T C 2.132 176.799 174.700 -0.055 0.000 1.040 361 T CA 1.290 63.407 62.100 0.029 0.000 1.147 361 T CB -0.497 68.383 68.868 0.021 0.000 0.865 361 T HN 0.169 nan 8.240 nan 0.000 0.426 362 I N 0.849 121.343 120.570 -0.125 0.000 2.185 362 I HA -0.196 3.973 4.170 -0.000 0.000 0.246 362 I C 2.258 178.287 176.117 -0.147 0.000 1.088 362 I CA 1.552 62.718 61.300 -0.224 0.000 1.347 362 I CB -0.422 37.421 38.000 -0.261 0.000 1.041 362 I HN 0.227 nan 8.210 nan 0.000 0.415 363 L N -0.483 120.684 121.223 -0.094 0.000 2.202 363 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 363 L C 2.374 179.273 176.870 0.048 0.000 1.083 363 L CA 0.644 55.505 54.840 0.034 0.000 0.790 363 L CB -0.214 41.762 42.059 -0.138 0.000 0.942 363 L HN 0.196 nan 8.230 nan 0.000 0.452 364 L N -0.842 120.402 121.223 0.034 0.000 2.162 364 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 364 L C 2.101 178.995 176.870 0.040 0.000 1.086 364 L CA 1.149 56.024 54.840 0.058 0.000 0.778 364 L CB 0.070 42.181 42.059 0.087 0.000 0.928 364 L HN 0.206 nan 8.230 nan 0.000 0.446 365 I N -1.642 118.939 120.570 0.019 0.000 3.443 365 I HA -0.085 4.085 4.170 -0.000 0.000 0.277 365 I C 2.084 178.188 176.117 -0.020 0.000 1.169 365 I CA 0.152 61.454 61.300 0.003 0.000 1.419 365 I CB 0.212 38.212 38.000 -0.001 0.000 1.331 365 I HN 0.020 nan 8.210 nan 0.000 0.458 366 L N 0.148 121.329 121.223 -0.070 0.000 1.973 366 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 366 L C 2.604 179.407 176.870 -0.112 0.000 1.073 366 L CA 1.861 56.622 54.840 -0.132 0.000 0.746 366 L CB -0.778 41.134 42.059 -0.244 0.000 0.891 366 L HN 0.154 nan 8.230 nan 0.000 0.433 367 F N 0.785 120.693 119.950 -0.070 0.000 2.063 367 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 367 F C 0.015 175.760 175.800 -0.092 0.000 1.105 367 F CA 1.968 59.916 58.000 -0.086 0.000 1.215 367 F CB -1.532 37.403 39.000 -0.108 0.000 0.972 367 F HN 0.193 nan 8.300 nan 0.000 0.483 368 P HA -0.100 nan 4.420 nan 0.000 0.219 368 P C 1.375 178.683 177.300 0.014 0.000 1.150 368 P CA 1.740 64.863 63.100 0.038 0.000 0.814 368 P CB -0.229 31.489 31.700 0.030 0.000 0.787 369 T N 0.771 115.331 114.554 0.010 0.000 2.732 369 T HA -0.040 4.310 4.350 -0.000 0.000 0.261 369 T C 1.922 176.618 174.700 -0.007 0.000 1.040 369 T CA 0.894 62.991 62.100 -0.004 0.000 1.145 369 T CB -0.549 68.311 68.868 -0.014 0.000 0.866 369 T HN -0.062 nan 8.240 nan 0.000 0.427 370 I N 1.742 122.304 120.570 -0.013 0.000 2.264 370 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 370 I C 2.859 178.979 176.117 0.004 0.000 1.111 370 I CA 1.412 62.706 61.300 -0.010 0.000 1.382 370 I CB -1.836 36.149 38.000 -0.025 0.000 1.060 370 I HN 0.317 nan 8.210 nan 0.000 0.418 371 G N 0.315 109.120 108.800 0.008 0.000 2.440 371 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 371 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 371 G C 1.718 176.600 174.900 -0.029 0.000 1.154 371 G CA 1.492 46.574 45.100 -0.031 0.000 0.767 371 G HN 0.313 nan 8.290 nan 0.000 0.552 372 T N 0.902 115.445 114.554 -0.018 0.000 2.674 372 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 372 T C 2.281 176.987 174.700 0.010 0.000 1.039 372 T CA 1.275 63.372 62.100 -0.004 0.000 1.150 372 T CB -0.303 68.565 68.868 0.000 0.000 0.864 372 T HN 0.172 nan 8.240 nan 0.000 0.427 373 L N 1.373 122.600 121.223 0.008 0.000 2.013 373 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 373 L C 2.278 179.160 176.870 0.020 0.000 1.073 373 L CA 1.963 56.810 54.840 0.012 0.000 0.753 373 L CB -0.633 41.429 42.059 0.005 0.000 0.890 373 L HN 0.268 nan 8.230 nan 0.000 0.432 374 E N -0.550 119.662 120.200 0.019 0.000 2.085 374 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 374 E C 1.941 178.572 176.600 0.051 0.000 0.994 374 E CA 1.206 57.624 56.400 0.030 0.000 0.801 374 E CB -0.122 29.593 29.700 0.025 0.000 0.743 374 E HN 0.561 nan 8.360 nan 0.000 0.453 375 N N 0.762 119.495 118.700 0.055 0.000 2.149 375 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 375 N C 1.443 177.025 175.510 0.120 0.000 1.019 375 N CA 1.109 54.223 53.050 0.106 0.000 0.857 375 N CB -0.060 38.473 38.487 0.077 0.000 0.997 375 N HN 0.162 nan 8.380 nan 0.000 0.426 376 K N 0.173 120.614 120.400 0.069 0.000 2.097 376 K HA 0.060 4.380 4.320 -0.000 0.000 0.205 376 K C 1.811 178.426 176.600 0.026 0.000 1.050 376 K CA 0.798 57.115 56.287 0.050 0.000 0.938 376 K CB -0.085 32.434 32.500 0.031 0.000 0.718 376 K HN 0.142 nan 8.250 nan 0.000 0.442 377 M N 0.554 120.169 119.600 0.024 0.000 2.632 377 M HA -0.057 4.423 4.480 -0.000 0.000 0.256 377 M C 1.197 177.488 176.300 -0.014 0.000 1.080 377 M CA 1.000 56.303 55.300 0.006 0.000 1.084 377 M CB 0.177 32.784 32.600 0.012 0.000 1.439 377 M HN 0.079 nan 8.290 nan 0.000 0.509 378 L N -0.834 120.381 121.223 -0.013 0.000 2.640 378 L HA 0.169 4.509 4.340 -0.000 0.000 0.230 378 L C 0.347 177.066 176.870 -0.251 0.000 1.123 378 L CA -0.203 54.582 54.840 -0.091 0.000 0.900 378 L CB -0.028 42.036 42.059 0.009 0.000 1.146 378 L HN 0.367 nan 8.230 nan 0.000 0.484 379 N N -0.461 118.154 118.700 -0.141 0.000 2.814 379 N HA -0.247 4.493 4.740 -0.000 0.000 0.247 379 N C -0.813 174.590 175.510 -0.178 0.000 1.089 379 N CA 0.563 53.525 53.050 -0.147 0.000 0.682 379 N CB -1.369 37.013 38.487 -0.175 0.000 0.970 379 N HN 0.368 nan 8.380 nan 0.000 0.554 380 Y N 0.000 120.302 120.300 0.003 0.000 2.660 380 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 380 Y CA 0.000 58.103 58.100 0.005 0.000 1.940 380 Y CB 0.000 38.464 38.460 0.007 0.000 1.050 380 Y HN 0.000 nan 8.280 nan 0.000 0.758