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 1t88_1_A DATA FIRST_RESID 8 DATA SEQUENCE NANLAPLPPH VPEHLVFDFD MYNPSNLSAG VQEAWAVLQE SNVPDLVWTR DATA SEQUENCE CNGGHWIATR GQLIREAYED YRHFSSECPF IPREAGEAYD FIPTSMDPPE DATA SEQUENCE QRQFRALANQ VVGMPVVDKL ENRIQELACS LIESLRPQGQ CNFTEDYAEP DATA SEQUENCE FPIRIFMLLA GLPEEDIPHL KYLTDQMTRP DGSMTFAEAK EALYDYLIPI DATA SEQUENCE IEQRRQKPGT DAISIVANGQ VNGRPITSDE AKRMCGLLLV GGLDTVVNFL DATA SEQUENCE SFSMEFLAKS PEHRQELIER PERIPAACEE LLRRFSLVAD GRILTSDYEF DATA SEQUENCE HGVQLKKGDQ ILLPQMLSGL DERENAAPMH VDFSRQKVSH TTFGHGSHLC DATA SEQUENCE LGQHLARREI IVTLKEWLTR IPDFSIAPGA QIQHKSGIVS GVQALPLVWD DATA SEQUENCE PATTKAV 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.495 175.510 -0.024 0.000 1.280 8 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 8 N CB 0.000 38.461 38.487 -0.044 0.000 1.341 9 A N 0.144 122.951 122.820 -0.021 0.000 2.275 9 A HA 0.129 4.450 4.320 0.001 0.000 0.212 9 A C 0.711 178.287 177.584 -0.014 0.000 1.201 9 A CA 0.392 52.420 52.037 -0.014 0.000 0.843 9 A CB -0.246 18.748 19.000 -0.011 0.000 0.873 9 A HN 0.523 nan 8.150 nan 0.000 0.492 10 N N -0.183 118.503 118.700 -0.022 0.000 2.270 10 N HA 0.126 4.867 4.740 0.001 0.000 0.198 10 N C -0.883 174.611 175.510 -0.028 0.000 1.117 10 N CA 0.211 53.247 53.050 -0.024 0.000 0.845 10 N CB 0.585 39.052 38.487 -0.033 0.000 0.980 10 N HN 0.204 nan 8.380 nan 0.000 0.486 11 L N 1.225 122.434 121.223 -0.024 0.000 2.280 11 L HA 0.424 4.765 4.340 0.001 0.000 0.287 11 L C 0.268 177.141 176.870 0.004 0.000 1.023 11 L CA -1.245 53.583 54.840 -0.020 0.000 0.819 11 L CB 0.969 43.012 42.059 -0.026 0.000 1.212 11 L HN -0.060 nan 8.230 nan 0.000 0.420 12 A N 6.019 128.852 122.820 0.021 0.000 2.388 12 A HA 0.626 4.946 4.320 0.001 0.000 0.257 12 A C -2.181 175.441 177.584 0.062 0.000 1.095 12 A CA -1.054 51.012 52.037 0.048 0.000 0.791 12 A CB -0.472 18.573 19.000 0.074 0.000 1.029 12 A HN 0.576 nan 8.150 nan 0.000 0.489 13 P HA 0.079 nan 4.420 nan 0.000 0.262 13 P C -0.324 176.987 177.300 0.019 0.000 1.182 13 P CA -0.111 63.002 63.100 0.023 0.000 0.761 13 P CB 0.239 31.947 31.700 0.013 0.000 0.795 14 L N 7.488 128.696 121.223 -0.025 0.000 2.534 14 L HA 0.181 4.522 4.340 0.001 0.000 0.271 14 L C -2.059 174.682 176.870 -0.216 0.000 1.178 14 L CA -1.247 53.508 54.840 -0.140 0.000 0.907 14 L CB -0.684 41.275 42.059 -0.168 0.000 1.164 14 L HN 0.326 nan 8.230 nan 0.000 0.482 15 P HA 0.140 nan 4.420 nan 0.000 0.269 15 P C -2.112 175.033 177.300 -0.258 0.000 1.209 15 P CA -0.920 62.028 63.100 -0.254 0.000 0.776 15 P CB 0.162 31.674 31.700 -0.313 0.000 0.876 16 P HA -0.227 nan 4.420 nan 0.000 0.217 16 P C 1.195 178.474 177.300 -0.035 0.000 1.148 16 P CA 1.521 64.596 63.100 -0.043 0.000 0.834 16 P CB -0.385 31.326 31.700 0.018 0.000 0.783 17 H N -2.087 116.913 119.070 -0.117 0.000 2.548 17 H HA 0.103 4.660 4.556 0.001 0.000 0.268 17 H C 0.070 175.348 175.328 -0.082 0.000 0.975 17 H CA 0.289 56.296 56.048 -0.068 0.000 1.195 17 H CB -0.737 29.017 29.762 -0.014 0.000 1.397 17 H HN -0.078 nan 8.280 nan 0.000 0.572 18 V N 4.397 123.873 119.914 -0.730 0.000 2.389 18 V HA 0.177 4.297 4.120 0.001 0.000 0.264 18 V C -2.068 173.814 176.094 -0.353 0.000 1.049 18 V CA -1.558 60.324 62.300 -0.697 0.000 0.932 18 V CB 0.995 31.953 31.823 -1.441 0.000 1.011 18 V HN 0.177 nan 8.190 nan 0.000 0.475 19 P HA 0.055 nan 4.420 nan 0.000 0.262 19 P C 0.555 177.773 177.300 -0.137 0.000 1.182 19 P CA 0.131 63.179 63.100 -0.086 0.000 0.761 19 P CB 0.713 32.355 31.700 -0.097 0.000 0.795 20 E N 1.924 122.113 120.200 -0.018 0.000 2.085 20 E HA -0.246 4.104 4.350 0.001 0.000 0.194 20 E C 1.736 178.358 176.600 0.036 0.000 0.994 20 E CA 1.527 57.927 56.400 0.000 0.000 0.801 20 E CB -0.640 29.085 29.700 0.043 0.000 0.743 20 E HN 0.631 nan 8.360 nan 0.000 0.453 21 H N -0.268 118.818 119.070 0.027 0.000 2.545 21 H HA 0.012 4.569 4.556 0.001 0.000 0.282 21 H C 1.466 176.844 175.328 0.084 0.000 1.020 21 H CA 0.734 56.811 56.048 0.048 0.000 1.243 21 H CB -0.282 29.504 29.762 0.039 0.000 1.377 21 H HN 0.208 nan 8.280 nan 0.000 0.581 22 L N 1.311 122.326 121.223 -0.347 0.000 2.592 22 L HA 0.152 4.493 4.340 0.001 0.000 0.227 22 L C 0.312 177.228 176.870 0.077 0.000 1.127 22 L CA -0.241 54.520 54.840 -0.132 0.000 0.884 22 L CB 0.479 42.476 42.059 -0.103 0.000 1.065 22 L HN -0.021 nan 8.230 nan 0.000 0.457 23 V N 0.816 120.771 119.914 0.069 0.000 2.572 23 V HA 0.002 4.123 4.120 0.001 0.000 0.291 23 V C -0.515 175.692 176.094 0.187 0.000 1.039 23 V CA 0.348 62.729 62.300 0.135 0.000 1.055 23 V CB 0.810 32.678 31.823 0.076 0.000 0.969 23 V HN 0.090 nan 8.190 nan 0.000 0.482 24 F N 3.845 123.804 119.950 0.016 0.000 2.941 24 F HA 0.390 4.917 4.527 0.001 0.000 0.359 24 F C 0.115 175.900 175.800 -0.025 0.000 1.231 24 F CA -0.820 57.180 58.000 0.001 0.000 1.089 24 F CB 1.329 40.328 39.000 -0.002 0.000 1.407 24 F HN 0.515 nan 8.300 nan 0.000 0.538 25 D N 6.297 126.531 120.400 -0.277 0.000 2.767 25 D HA -0.019 4.621 4.640 0.001 0.000 0.231 25 D C -0.162 176.011 176.300 -0.212 0.000 1.105 25 D CA 0.434 54.304 54.000 -0.217 0.000 1.024 25 D CB -0.344 40.334 40.800 -0.203 0.000 1.123 25 D HN 0.259 nan 8.370 nan 0.000 0.470 26 F N 1.722 121.544 119.950 -0.213 0.000 2.456 26 F HA 0.115 4.643 4.527 0.001 0.000 0.358 26 F C 0.480 176.150 175.800 -0.218 0.000 1.095 26 F CA -0.607 57.294 58.000 -0.165 0.000 1.216 26 F CB 0.835 39.829 39.000 -0.010 0.000 1.125 26 F HN -0.128 nan 8.300 nan 0.000 0.549 27 D N 7.016 126.867 120.400 -0.915 0.000 2.427 27 D HA 0.105 4.745 4.640 0.001 0.000 0.226 27 D C 1.047 176.797 176.300 -0.915 0.000 1.076 27 D CA -0.218 53.395 54.000 -0.645 0.000 0.849 27 D CB 1.076 41.644 40.800 -0.387 0.000 1.052 27 D HN 0.799 nan 8.370 nan 0.000 0.515 28 M N 2.922 122.164 119.600 -0.597 0.000 2.143 28 M HA -0.262 4.218 4.480 0.001 0.000 0.258 28 M C 0.556 176.576 176.300 -0.467 0.000 1.071 28 M CA 1.713 56.698 55.300 -0.525 0.000 1.088 28 M CB 0.043 32.390 32.600 -0.421 0.000 1.360 28 M HN 0.498 nan 8.290 nan 0.000 0.404 29 Y N -1.607 118.627 120.300 -0.109 0.000 2.466 29 Y HA 0.178 4.728 4.550 0.001 0.000 0.272 29 Y C 0.731 176.596 175.900 -0.058 0.000 1.169 29 Y CA 0.295 58.376 58.100 -0.031 0.000 1.285 29 Y CB 0.204 38.654 38.460 -0.018 0.000 1.078 29 Y HN 0.297 nan 8.280 nan 0.000 0.523 30 N N 0.726 119.387 118.700 -0.065 0.000 2.805 30 N HA 0.087 4.827 4.740 0.001 0.000 0.216 30 N C -3.205 172.169 175.510 -0.227 0.000 1.447 30 N CA -1.055 51.949 53.050 -0.077 0.000 0.785 30 N CB 0.867 39.333 38.487 -0.034 0.000 1.458 30 N HN -0.203 nan 8.380 nan 0.000 0.547 31 P HA 0.015 nan 4.420 nan 0.000 0.267 31 P C 1.071 178.254 177.300 -0.196 0.000 1.205 31 P CA 0.119 62.934 63.100 -0.475 0.000 0.765 31 P CB 1.430 32.849 31.700 -0.469 0.000 0.828 32 S N 2.600 118.190 115.700 -0.182 0.000 2.380 32 S HA -0.267 4.204 4.470 0.001 0.000 0.229 32 S C 1.417 176.007 174.600 -0.017 0.000 1.043 32 S CA 1.617 59.767 58.200 -0.084 0.000 1.038 32 S CB -1.188 61.965 63.200 -0.080 0.000 0.872 32 S HN 0.666 nan 8.310 nan 0.000 0.456 33 N N 0.359 119.074 118.700 0.026 0.000 2.362 33 N HA 0.130 4.871 4.740 0.001 0.000 0.211 33 N C 1.237 176.795 175.510 0.081 0.000 1.170 33 N CA -0.033 53.054 53.050 0.062 0.000 0.828 33 N CB -0.161 38.384 38.487 0.096 0.000 1.034 33 N HN 0.273 nan 8.380 nan 0.000 0.475 34 L N 0.606 121.871 121.223 0.070 0.000 2.089 34 L HA -0.192 4.149 4.340 0.001 0.000 0.213 34 L C 1.953 178.876 176.870 0.088 0.000 1.079 34 L CA 1.718 56.624 54.840 0.110 0.000 0.758 34 L CB -0.710 41.404 42.059 0.092 0.000 0.891 34 L HN 0.108 nan 8.230 nan 0.000 0.433 35 S N -0.649 115.080 115.700 0.049 0.000 2.442 35 S HA -0.092 4.378 4.470 0.001 0.000 0.236 35 S C 1.893 176.499 174.600 0.010 0.000 1.007 35 S CA 0.916 59.129 58.200 0.020 0.000 0.965 35 S CB -0.443 62.767 63.200 0.017 0.000 0.773 35 S HN 0.667 nan 8.310 nan 0.000 0.504 36 A N 0.580 123.424 122.820 0.041 0.000 2.208 36 A HA 0.529 4.850 4.320 0.001 0.000 0.209 36 A C 1.034 178.654 177.584 0.060 0.000 1.161 36 A CA 0.616 52.682 52.037 0.048 0.000 0.782 36 A CB -0.408 18.633 19.000 0.068 0.000 0.816 36 A HN 0.766 nan 8.150 nan 0.000 0.477 37 G N -2.332 106.508 108.800 0.066 0.000 2.627 37 G HA2 0.115 4.076 3.960 0.001 0.000 0.680 37 G HA3 0.115 4.076 3.960 0.001 0.000 0.680 37 G C 0.379 175.503 174.900 0.374 0.000 1.341 37 G CA -0.161 45.032 45.100 0.157 0.000 0.835 37 G HN 0.839 nan 8.290 nan 0.000 0.643 38 V N 1.448 121.768 119.914 0.676 0.000 2.343 38 V HA -0.183 3.937 4.120 0.001 0.000 0.247 38 V C 2.683 179.001 176.094 0.373 0.000 1.051 38 V CA 3.381 65.970 62.300 0.482 0.000 1.036 38 V CB -0.337 31.738 31.823 0.421 0.000 0.654 38 V HN 0.813 nan 8.190 nan 0.000 0.451 39 Q N -0.146 119.756 119.800 0.168 0.000 2.084 39 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 39 Q C 2.101 178.189 176.000 0.146 0.000 0.978 39 Q CA 2.127 57.959 55.803 0.048 0.000 0.844 39 Q CB -0.283 28.384 28.738 -0.120 0.000 0.898 39 Q HN 0.697 nan 8.270 nan 0.000 0.426 40 E N 0.174 120.470 120.200 0.160 0.000 2.110 40 E HA -0.139 4.212 4.350 0.001 0.000 0.193 40 E C 1.815 178.528 176.600 0.187 0.000 0.988 40 E CA 1.215 57.697 56.400 0.138 0.000 0.804 40 E CB -0.355 29.418 29.700 0.122 0.000 0.745 40 E HN 0.407 nan 8.360 nan 0.000 0.458 41 A N -0.111 122.866 122.820 0.262 0.000 1.902 41 A HA -0.170 4.151 4.320 0.001 0.000 0.217 41 A C 1.731 179.526 177.584 0.351 0.000 1.181 41 A CA 1.320 53.525 52.037 0.280 0.000 0.623 41 A CB -0.929 18.240 19.000 0.282 0.000 0.818 41 A HN 0.365 nan 8.150 nan 0.000 0.443 42 W N -0.461 120.950 121.300 0.185 0.000 2.467 42 W HA 0.189 4.850 4.660 0.001 0.000 0.275 42 W C 2.572 179.038 176.519 -0.088 0.000 1.239 42 W CA 0.825 58.211 57.345 0.069 0.000 1.266 42 W CB -0.266 29.201 29.460 0.011 0.000 1.112 42 W HN 0.355 nan 8.180 nan 0.000 0.576 43 A N 0.449 123.374 122.820 0.175 0.000 2.178 43 A HA -0.105 4.216 4.320 0.001 0.000 0.218 43 A C 1.971 179.557 177.584 0.004 0.000 1.157 43 A CA 1.707 53.774 52.037 0.049 0.000 0.689 43 A CB -1.181 17.841 19.000 0.037 0.000 0.787 43 A HN 0.254 nan 8.150 nan 0.000 0.465 44 V N -2.484 117.458 119.914 0.047 0.000 2.867 44 V HA -0.137 3.984 4.120 0.001 0.000 0.260 44 V C 1.918 177.951 176.094 -0.101 0.000 1.099 44 V CA 1.743 64.074 62.300 0.052 0.000 1.122 44 V CB -0.904 31.034 31.823 0.192 0.000 0.708 44 V HN 0.461 nan 8.190 nan 0.000 0.490 45 L N -0.374 120.705 121.223 -0.241 0.000 2.465 45 L HA 0.029 4.370 4.340 0.001 0.000 0.224 45 L C 2.329 178.994 176.870 -0.342 0.000 1.145 45 L CA 1.111 55.659 54.840 -0.487 0.000 0.834 45 L CB -0.311 41.436 42.059 -0.521 0.000 0.944 45 L HN 0.418 nan 8.230 nan 0.000 0.451 46 Q N -0.543 119.138 119.800 -0.198 0.000 2.172 46 Q HA 0.146 4.487 4.340 0.001 0.000 0.217 46 Q C -0.184 175.755 176.000 -0.102 0.000 0.832 46 Q CA -0.189 55.529 55.803 -0.142 0.000 1.010 46 Q CB 0.693 29.371 28.738 -0.100 0.000 1.133 46 Q HN 0.447 nan 8.270 nan 0.000 0.489 47 E N 0.420 120.559 120.200 -0.103 0.000 2.392 47 E HA 0.006 4.356 4.350 0.001 0.000 0.256 47 E C 1.027 177.595 176.600 -0.053 0.000 1.145 47 E CA 0.374 56.743 56.400 -0.052 0.000 0.929 47 E CB 0.854 30.545 29.700 -0.015 0.000 0.998 47 E HN 0.179 nan 8.360 nan 0.000 0.442 48 S N 2.189 117.872 115.700 -0.027 0.000 2.408 48 S HA -0.275 4.196 4.470 0.001 0.000 0.241 48 S C 1.033 175.620 174.600 -0.021 0.000 1.080 48 S CA 1.740 59.927 58.200 -0.022 0.000 1.109 48 S CB -0.271 62.924 63.200 -0.008 0.000 0.966 48 S HN 0.508 nan 8.310 nan 0.000 0.449 49 N N 1.181 119.875 118.700 -0.011 0.000 2.251 49 N HA 0.280 5.021 4.740 0.001 0.000 0.217 49 N C -0.842 174.660 175.510 -0.013 0.000 1.124 49 N CA 0.045 53.095 53.050 0.000 0.000 0.843 49 N CB 0.898 39.401 38.487 0.027 0.000 1.024 49 N HN 0.308 nan 8.380 nan 0.000 0.501 50 V N 3.698 123.567 119.914 -0.074 0.000 2.432 50 V HA 0.265 4.385 4.120 0.001 0.000 0.275 50 V C -1.604 174.420 176.094 -0.117 0.000 1.043 50 V CA -1.327 60.881 62.300 -0.153 0.000 0.925 50 V CB 1.472 33.085 31.823 -0.351 0.000 0.985 50 V HN 0.082 nan 8.190 nan 0.000 0.466 51 P HA 0.216 nan 4.420 nan 0.000 0.274 51 P C 0.028 177.278 177.300 -0.083 0.000 1.256 51 P CA -0.332 62.740 63.100 -0.047 0.000 0.795 51 P CB 1.085 32.791 31.700 0.009 0.000 1.038 52 D N -0.789 119.565 120.400 -0.077 0.000 2.218 52 D HA -0.045 4.596 4.640 0.001 0.000 0.204 52 D C 0.435 176.672 176.300 -0.105 0.000 0.976 52 D CA 1.449 55.379 54.000 -0.115 0.000 0.853 52 D CB -0.165 40.546 40.800 -0.149 0.000 0.939 52 D HN 0.096 nan 8.370 nan 0.000 0.481 53 L N 0.504 121.698 121.223 -0.049 0.000 2.439 53 L HA 0.351 4.691 4.340 0.001 0.000 0.270 53 L C -0.805 176.157 176.870 0.152 0.000 0.972 53 L CA -0.962 53.897 54.840 0.032 0.000 0.836 53 L CB 1.866 43.915 42.059 -0.016 0.000 1.255 53 L HN -0.149 nan 8.230 nan 0.000 0.404 54 V N 1.533 121.576 119.914 0.217 0.000 3.113 54 V HA 0.697 4.818 4.120 0.001 0.000 0.316 54 V C -1.361 174.979 176.094 0.409 0.000 1.125 54 V CA -0.761 61.700 62.300 0.269 0.000 1.026 54 V CB 2.137 34.027 31.823 0.111 0.000 1.080 54 V HN 0.924 nan 8.190 nan 0.000 0.444 55 W N 1.904 123.227 121.300 0.038 0.000 2.600 55 W HA 0.657 5.317 4.660 0.001 0.000 0.325 55 W C -0.988 175.405 176.519 -0.209 0.000 1.034 55 W CA -0.248 56.945 57.345 -0.254 0.000 1.226 55 W CB 1.914 30.980 29.460 -0.656 0.000 1.379 55 W HN 0.876 nan 8.180 nan 0.000 0.466 56 T N 5.157 119.239 114.554 -0.788 0.000 2.859 56 T HA 0.386 4.737 4.350 0.001 0.000 0.281 56 T C 0.933 175.159 174.700 -0.790 0.000 1.005 56 T CA -0.398 61.356 62.100 -0.576 0.000 1.025 56 T CB 1.177 69.744 68.868 -0.501 0.000 0.977 56 T HN 0.631 nan 8.240 nan 0.000 0.458 57 R N 1.901 122.221 120.500 -0.300 0.000 2.310 57 R HA 0.207 4.548 4.340 0.001 0.000 0.202 57 R C 0.549 176.758 176.300 -0.152 0.000 0.933 57 R CA -0.197 55.827 56.100 -0.127 0.000 1.054 57 R CB -0.219 30.097 30.300 0.027 0.000 0.985 57 R HN 0.554 nan 8.270 nan 0.000 0.489 58 C N 1.166 120.339 119.300 -0.210 0.000 2.580 58 C HA 0.110 4.570 4.460 0.001 0.000 0.371 58 C C 0.937 175.890 174.990 -0.063 0.000 1.308 58 C CA -0.447 58.496 59.018 -0.125 0.000 2.428 58 C CB 0.086 27.743 27.740 -0.137 0.000 2.529 58 C HN 0.674 nan 8.230 nan 0.000 0.657 59 N N 0.422 119.132 118.700 0.017 0.000 2.710 59 N HA -0.160 4.581 4.740 0.001 0.000 0.249 59 N C 0.731 176.288 175.510 0.079 0.000 1.059 59 N CA 0.901 54.003 53.050 0.088 0.000 0.720 59 N CB -1.138 37.463 38.487 0.191 0.000 0.983 59 N HN 1.360 nan 8.380 nan 0.000 0.544 60 G N -1.943 106.878 108.800 0.035 0.000 2.213 60 G HA2 0.104 4.065 3.960 0.001 0.000 0.236 60 G HA3 0.104 4.065 3.960 0.001 0.000 0.236 60 G C 0.520 175.438 174.900 0.029 0.000 0.991 60 G CA 0.273 45.399 45.100 0.044 0.000 0.629 60 G HN 1.585 nan 8.290 nan 0.000 0.517 61 G N -0.632 108.106 108.800 -0.102 0.000 3.322 61 G HA2 0.565 4.526 3.960 0.001 0.000 0.686 61 G HA3 0.565 4.526 3.960 0.001 0.000 0.686 61 G C -0.515 173.910 174.900 -0.791 0.000 1.015 61 G CA 0.642 45.497 45.100 -0.407 0.000 0.826 61 G HN 2.852 nan 8.290 nan 0.000 0.538 62 H N -1.552 116.503 119.070 -1.692 0.000 2.987 62 H HA 0.652 5.208 4.556 0.001 0.000 0.316 62 H C -0.575 174.069 175.328 -1.139 0.000 1.380 62 H CA -1.616 53.673 56.048 -1.266 0.000 1.160 62 H CB 0.103 29.604 29.762 -0.436 0.000 1.865 62 H HN 0.654 nan 8.280 nan 0.000 0.521 63 W N 0.862 122.072 121.300 -0.151 0.000 2.183 63 W HA 0.621 5.281 4.660 0.001 0.000 0.348 63 W C -0.228 176.348 176.519 0.095 0.000 1.257 63 W CA -0.551 56.841 57.345 0.079 0.000 1.324 63 W CB 0.819 30.432 29.460 0.257 0.000 1.144 63 W HN 0.443 nan 8.180 nan 0.000 0.622 64 I N 2.334 123.110 120.570 0.343 0.000 2.534 64 I HA 0.316 4.486 4.170 0.001 0.000 0.286 64 I C -0.442 175.732 176.117 0.096 0.000 1.094 64 I CA -1.098 60.306 61.300 0.173 0.000 1.055 64 I CB 1.347 39.382 38.000 0.058 0.000 1.225 64 I HN 0.442 nan 8.210 nan 0.000 0.435 65 A N 3.336 126.174 122.820 0.030 0.000 2.320 65 A HA 0.503 4.824 4.320 0.001 0.000 0.287 65 A C 0.979 178.521 177.584 -0.071 0.000 1.181 65 A CA -0.114 51.900 52.037 -0.038 0.000 0.831 65 A CB 0.235 19.181 19.000 -0.089 0.000 1.102 65 A HN 0.848 nan 8.150 nan 0.000 0.513 66 T N -0.142 114.349 114.554 -0.105 0.000 3.060 66 T HA 0.229 4.579 4.350 0.001 0.000 0.249 66 T C 0.624 175.252 174.700 -0.119 0.000 1.079 66 T CA -0.024 61.997 62.100 -0.132 0.000 1.013 66 T CB 0.054 68.809 68.868 -0.188 0.000 0.975 66 T HN 0.522 nan 8.240 nan 0.000 0.518 67 R N 0.194 120.622 120.500 -0.120 0.000 2.740 67 R HA 0.590 4.931 4.340 0.001 0.000 0.282 67 R C 1.496 177.732 176.300 -0.107 0.000 0.969 67 R CA -0.346 55.687 56.100 -0.111 0.000 0.918 67 R CB 1.140 31.368 30.300 -0.119 0.000 1.175 67 R HN 0.203 nan 8.270 nan 0.000 0.464 68 G N 0.961 109.706 108.800 -0.091 0.000 2.469 68 G HA2 -0.335 3.626 3.960 0.001 0.000 0.220 68 G HA3 -0.335 3.626 3.960 0.001 0.000 0.220 68 G C 1.068 175.907 174.900 -0.102 0.000 1.136 68 G CA 0.830 45.876 45.100 -0.090 0.000 0.759 68 G HN 0.651 nan 8.290 nan 0.000 0.562 69 Q N -0.562 119.182 119.800 -0.093 0.000 2.061 69 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 69 Q C 2.498 178.444 176.000 -0.090 0.000 0.984 69 Q CA 1.356 57.114 55.803 -0.075 0.000 0.846 69 Q CB -0.173 28.530 28.738 -0.057 0.000 0.902 69 Q HN 0.421 nan 8.270 nan 0.000 0.421 70 L N 0.211 121.327 121.223 -0.178 0.000 2.072 70 L HA -0.112 4.229 4.340 0.001 0.000 0.205 70 L C 2.231 179.055 176.870 -0.078 0.000 1.079 70 L CA 1.141 55.868 54.840 -0.188 0.000 0.752 70 L CB -0.387 41.467 42.059 -0.343 0.000 0.906 70 L HN 0.273 nan 8.230 nan 0.000 0.436 71 I N -0.762 119.736 120.570 -0.119 0.000 2.163 71 I HA -0.342 3.829 4.170 0.001 0.000 0.243 71 I C 2.641 178.718 176.117 -0.066 0.000 1.085 71 I CA 1.362 62.583 61.300 -0.132 0.000 1.347 71 I CB -0.295 37.676 38.000 -0.049 0.000 1.044 71 I HN 0.213 nan 8.210 nan 0.000 0.408 72 R N 0.567 121.011 120.500 -0.093 0.000 2.073 72 R HA -0.160 4.181 4.340 0.001 0.000 0.234 72 R C 2.203 178.551 176.300 0.080 0.000 1.134 72 R CA 1.461 57.438 56.100 -0.205 0.000 0.952 72 R CB -0.418 29.618 30.300 -0.441 0.000 0.850 72 R HN 0.460 nan 8.270 nan 0.000 0.433 73 E N 0.760 121.020 120.200 0.099 0.000 2.058 73 E HA -0.206 4.144 4.350 0.001 0.000 0.194 73 E C 2.112 178.827 176.600 0.190 0.000 0.997 73 E CA 1.304 57.840 56.400 0.227 0.000 0.801 73 E CB -0.162 29.753 29.700 0.358 0.000 0.746 73 E HN 0.379 nan 8.360 nan 0.000 0.450 74 A N 0.647 123.428 122.820 -0.064 0.000 1.902 74 A HA -0.180 4.141 4.320 0.001 0.000 0.217 74 A C 1.813 179.276 177.584 -0.201 0.000 1.181 74 A CA 1.197 52.899 52.037 -0.559 0.000 0.623 74 A CB -0.702 17.517 19.000 -1.303 0.000 0.818 74 A HN 0.249 nan 8.150 nan 0.000 0.443 75 Y N 0.334 120.653 120.300 0.032 0.000 2.421 75 Y HA -0.071 4.480 4.550 0.001 0.000 0.292 75 Y C 2.281 178.338 175.900 0.263 0.000 1.136 75 Y CA 1.294 59.495 58.100 0.169 0.000 1.255 75 Y CB -0.216 38.382 38.460 0.229 0.000 0.991 75 Y HN 0.489 nan 8.280 nan 0.000 0.552 76 E N -0.976 119.466 120.200 0.404 0.000 2.230 76 E HA -0.101 4.250 4.350 0.001 0.000 0.192 76 E C 0.338 177.079 176.600 0.236 0.000 0.987 76 E CA 0.546 57.139 56.400 0.322 0.000 0.841 76 E CB 0.156 30.029 29.700 0.289 0.000 0.783 76 E HN 0.107 nan 8.360 nan 0.000 0.481 77 D N 0.238 120.782 120.400 0.239 0.000 2.564 77 D HA -0.014 4.627 4.640 0.001 0.000 0.226 77 D C 0.325 176.712 176.300 0.144 0.000 1.149 77 D CA -0.420 53.655 54.000 0.126 0.000 0.994 77 D CB -0.081 40.891 40.800 0.286 0.000 1.029 77 D HN 0.180 nan 8.370 nan 0.000 0.517 78 Y N 0.853 121.250 120.300 0.161 0.000 2.571 78 Y HA 0.124 4.675 4.550 0.001 0.000 0.294 78 Y C 1.800 177.714 175.900 0.022 0.000 1.141 78 Y CA 0.315 58.497 58.100 0.137 0.000 1.308 78 Y CB -0.328 38.221 38.460 0.148 0.000 1.002 78 Y HN 0.061 nan 8.280 nan 0.000 0.551 79 R N -0.437 119.897 120.500 -0.275 0.000 2.115 79 R HA -0.067 4.273 4.340 0.001 0.000 0.226 79 R C 1.537 177.584 176.300 -0.421 0.000 1.100 79 R CA 1.334 57.247 56.100 -0.312 0.000 0.980 79 R CB -0.260 29.738 30.300 -0.504 0.000 0.875 79 R HN 0.495 nan 8.270 nan 0.000 0.445 80 H N -1.457 117.375 119.070 -0.398 0.000 2.476 80 H HA 0.117 4.673 4.556 0.001 0.000 0.292 80 H C -0.119 174.780 175.328 -0.714 0.000 1.019 80 H CA 0.568 56.185 56.048 -0.718 0.000 1.330 80 H CB 0.463 29.446 29.762 -1.299 0.000 1.451 80 H HN -0.028 nan 8.280 nan 0.000 0.535 81 F N 1.394 121.345 119.950 0.001 0.000 2.307 81 F HA 0.273 4.800 4.527 0.001 0.000 0.369 81 F C 0.652 176.486 175.800 0.056 0.000 1.076 81 F CA -0.570 57.428 58.000 -0.005 0.000 1.149 81 F CB 1.094 40.044 39.000 -0.082 0.000 1.410 81 F HN -0.180 nan 8.300 nan 0.000 0.481 82 S N 0.828 116.630 115.700 0.170 0.000 2.584 82 S HA 0.210 4.680 4.470 0.001 0.000 0.273 82 S C 1.142 175.814 174.600 0.119 0.000 1.311 82 S CA -0.435 57.855 58.200 0.149 0.000 1.034 82 S CB 0.997 64.253 63.200 0.094 0.000 0.939 82 S HN 0.514 nan 8.310 nan 0.000 0.513 83 S N 2.746 118.504 115.700 0.097 0.000 2.593 83 S HA 0.050 4.520 4.470 0.001 0.000 0.217 83 S C 1.518 176.112 174.600 -0.009 0.000 0.966 83 S CA 0.034 58.234 58.200 -0.001 0.000 0.914 83 S CB -0.187 62.940 63.200 -0.122 0.000 0.776 83 S HN 0.866 nan 8.310 nan 0.000 0.523 84 E N 0.344 120.564 120.200 0.033 0.000 2.118 84 E HA -0.167 4.183 4.350 0.001 0.000 0.195 84 E C 0.456 177.051 176.600 -0.009 0.000 0.992 84 E CA 0.832 57.248 56.400 0.027 0.000 0.804 84 E CB 0.092 29.815 29.700 0.039 0.000 0.741 84 E HN 0.410 nan 8.360 nan 0.000 0.458 85 C N 1.845 121.131 119.300 -0.023 0.000 2.816 85 C HA 0.428 4.889 4.460 0.001 0.000 0.255 85 C C -1.838 173.105 174.990 -0.078 0.000 1.141 85 C CA -1.680 57.304 59.018 -0.057 0.000 1.554 85 C CB 0.771 28.505 27.740 -0.009 0.000 1.778 85 C HN 0.318 nan 8.230 nan 0.000 0.429 86 P HA 0.084 nan 4.420 nan 0.000 0.240 86 P C 0.152 177.513 177.300 0.102 0.000 1.190 86 P CA 0.600 63.620 63.100 -0.133 0.000 0.781 86 P CB 0.209 31.704 31.700 -0.343 0.000 0.931 87 F N -0.264 119.478 119.950 -0.345 0.000 2.507 87 F HA 0.423 4.951 4.527 0.001 0.000 0.327 87 F C 0.533 176.223 175.800 -0.183 0.000 1.068 87 F CA -1.642 56.201 58.000 -0.262 0.000 0.965 87 F CB 1.561 40.364 39.000 -0.328 0.000 1.192 87 F HN -0.378 nan 8.300 nan 0.000 0.476 88 I N 4.146 124.718 120.570 0.005 0.000 2.460 88 I HA 0.331 4.502 4.170 0.001 0.000 0.298 88 I C -2.041 174.161 176.117 0.142 0.000 0.989 88 I CA -2.566 58.707 61.300 -0.044 0.000 1.173 88 I CB 1.323 39.144 38.000 -0.298 0.000 1.338 88 I HN 0.238 nan 8.210 nan 0.000 0.456 89 P HA 0.145 nan 4.420 nan 0.000 0.274 89 P C 0.507 177.823 177.300 0.027 0.000 1.256 89 P CA -0.479 62.660 63.100 0.065 0.000 0.795 89 P CB 0.945 32.683 31.700 0.064 0.000 1.038 90 R N 0.558 121.073 120.500 0.025 0.000 2.117 90 R HA -0.217 4.124 4.340 0.001 0.000 0.243 90 R C 1.779 178.079 176.300 -0.001 0.000 1.143 90 R CA 2.040 58.150 56.100 0.016 0.000 0.968 90 R CB -0.246 30.078 30.300 0.040 0.000 0.863 90 R HN 0.447 nan 8.270 nan 0.000 0.444 91 E N 0.121 120.327 120.200 0.010 0.000 2.077 91 E HA -0.159 4.192 4.350 0.001 0.000 0.193 91 E C 1.879 178.464 176.600 -0.025 0.000 0.989 91 E CA 1.511 57.917 56.400 0.010 0.000 0.800 91 E CB -0.279 29.439 29.700 0.031 0.000 0.746 91 E HN 0.460 nan 8.360 nan 0.000 0.452 92 A N 0.890 123.679 122.820 -0.051 0.000 1.877 92 A HA -0.058 4.263 4.320 0.001 0.000 0.216 92 A C 2.507 179.799 177.584 -0.486 0.000 1.186 92 A CA 1.743 53.626 52.037 -0.256 0.000 0.620 92 A CB -1.364 17.576 19.000 -0.101 0.000 0.822 92 A HN 0.353 nan 8.150 nan 0.000 0.443 93 G N -0.570 108.094 108.800 -0.227 0.000 2.442 93 G HA2 -0.221 3.739 3.960 0.001 0.000 0.219 93 G HA3 -0.221 3.739 3.960 0.001 0.000 0.219 93 G C 1.431 176.228 174.900 -0.171 0.000 1.141 93 G CA 1.072 46.043 45.100 -0.214 0.000 0.763 93 G HN 0.668 nan 8.290 nan 0.000 0.554 94 E N 0.226 120.363 120.200 -0.105 0.000 2.152 94 E HA 0.101 4.452 4.350 0.001 0.000 0.192 94 E C 2.834 179.405 176.600 -0.049 0.000 0.983 94 E CA 0.584 56.953 56.400 -0.051 0.000 0.818 94 E CB -0.067 29.625 29.700 -0.014 0.000 0.758 94 E HN 0.420 nan 8.360 nan 0.000 0.467 95 A N 0.736 123.516 122.820 -0.067 0.000 2.016 95 A HA -0.110 4.211 4.320 0.001 0.000 0.217 95 A C 0.800 178.372 177.584 -0.020 0.000 1.162 95 A CA 0.138 52.186 52.037 0.018 0.000 0.662 95 A CB -0.471 18.648 19.000 0.199 0.000 0.812 95 A HN 0.336 nan 8.150 nan 0.000 0.450 96 Y N 2.426 122.477 120.300 -0.416 0.000 2.770 96 Y HA 0.114 4.665 4.550 0.001 0.000 0.342 96 Y C 0.251 175.953 175.900 -0.330 0.000 1.221 96 Y CA 0.230 58.005 58.100 -0.541 0.000 1.560 96 Y CB 0.404 38.297 38.460 -0.944 0.000 1.213 96 Y HN 0.464 nan 8.280 nan 0.000 0.525 97 D N 4.264 124.398 120.400 -0.442 0.000 2.620 97 D HA 0.029 4.669 4.640 0.001 0.000 0.260 97 D C -0.555 175.678 176.300 -0.111 0.000 1.367 97 D CA -0.391 53.517 54.000 -0.153 0.000 0.805 97 D CB -0.772 40.007 40.800 -0.036 0.000 1.096 97 D HN 0.146 nan 8.370 nan 0.000 0.488 98 F N 1.201 120.936 119.950 -0.358 0.000 2.589 98 F HA 0.253 4.781 4.527 0.002 0.000 0.352 98 F C 1.228 176.991 175.800 -0.061 0.000 1.168 98 F CA -0.543 57.326 58.000 -0.218 0.000 1.353 98 F CB 0.355 39.135 39.000 -0.368 0.000 1.116 98 F HN -0.104 nan 8.300 nan 0.000 0.608 99 I N 4.680 125.341 120.570 0.150 0.000 2.474 99 I HA 0.235 4.406 4.170 0.001 0.000 0.294 99 I C -1.609 174.557 176.117 0.083 0.000 1.005 99 I CA -1.751 59.557 61.300 0.013 0.000 1.113 99 I CB 2.594 40.454 38.000 -0.234 0.000 1.289 99 I HN 0.370 nan 8.210 nan 0.000 0.436 100 P HA 0.056 nan 4.420 nan 0.000 0.261 100 P C 0.973 178.447 177.300 0.289 0.000 1.268 100 P CA 0.363 63.558 63.100 0.157 0.000 0.833 100 P CB 0.235 32.040 31.700 0.174 0.000 1.231 101 T N 0.516 115.267 114.554 0.329 0.000 2.803 101 T HA -0.115 4.236 4.350 0.001 0.000 0.269 101 T C 1.828 176.665 174.700 0.228 0.000 1.052 101 T CA 2.115 64.420 62.100 0.342 0.000 1.136 101 T CB -0.642 68.459 68.868 0.388 0.000 0.864 101 T HN 0.322 nan 8.240 nan 0.000 0.467 102 S N 0.088 115.965 115.700 0.295 0.000 2.593 102 S HA 0.288 4.759 4.470 0.001 0.000 0.217 102 S C 0.487 175.165 174.600 0.129 0.000 0.966 102 S CA -0.318 58.000 58.200 0.197 0.000 0.914 102 S CB -0.535 62.801 63.200 0.228 0.000 0.776 102 S HN 0.371 nan 8.310 nan 0.000 0.523 103 M N 1.879 121.586 119.600 0.180 0.000 2.508 103 M HA 0.512 4.992 4.480 0.001 0.000 0.327 103 M C -0.965 175.470 176.300 0.224 0.000 1.160 103 M CA -0.660 54.735 55.300 0.157 0.000 0.980 103 M CB 1.488 34.160 32.600 0.119 0.000 1.693 103 M HN 0.012 nan 8.290 nan 0.000 0.452 104 D N 1.660 122.142 120.400 0.136 0.000 2.268 104 D HA 0.485 5.125 4.640 0.001 0.000 0.249 104 D C -2.513 173.726 176.300 -0.100 0.000 1.008 104 D CA -1.259 52.788 54.000 0.079 0.000 0.939 104 D CB 1.309 42.175 40.800 0.109 0.000 1.170 104 D HN 0.147 nan 8.370 nan 0.000 0.468 105 P HA 0.090 nan 4.420 nan 0.000 0.272 105 P C -1.734 175.434 177.300 -0.219 0.000 1.230 105 P CA -0.820 62.037 63.100 -0.405 0.000 0.788 105 P CB 0.420 31.647 31.700 -0.788 0.000 0.949 106 P HA -0.083 nan 4.420 nan 0.000 0.230 106 P C 0.929 178.216 177.300 -0.023 0.000 1.168 106 P CA 1.065 64.131 63.100 -0.057 0.000 0.793 106 P CB 0.094 31.790 31.700 -0.007 0.000 0.851 107 E N 1.035 121.246 120.200 0.019 0.000 2.204 107 E HA -0.226 4.124 4.350 0.001 0.000 0.195 107 E C 2.005 178.698 176.600 0.155 0.000 0.990 107 E CA 0.790 57.242 56.400 0.087 0.000 0.821 107 E CB -0.952 28.816 29.700 0.113 0.000 0.750 107 E HN 0.384 nan 8.360 nan 0.000 0.477 108 Q N 1.450 121.301 119.800 0.085 0.000 2.124 108 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 108 Q C 2.201 178.259 176.000 0.097 0.000 0.977 108 Q CA 1.003 56.871 55.803 0.109 0.000 0.850 108 Q CB -0.001 28.717 28.738 -0.032 0.000 0.901 108 Q HN 0.250 nan 8.270 nan 0.000 0.429 109 R N 0.621 121.117 120.500 -0.007 0.000 2.094 109 R HA -0.235 4.106 4.340 0.001 0.000 0.239 109 R C 2.527 178.801 176.300 -0.043 0.000 1.137 109 R CA 2.142 58.217 56.100 -0.040 0.000 0.943 109 R CB -0.760 29.499 30.300 -0.067 0.000 0.850 109 R HN 0.605 nan 8.270 nan 0.000 0.433 110 Q N -0.015 119.723 119.800 -0.103 0.000 2.181 110 Q HA -0.159 4.182 4.340 0.001 0.000 0.205 110 Q C 1.713 177.547 176.000 -0.277 0.000 0.980 110 Q CA 1.703 57.363 55.803 -0.237 0.000 0.862 110 Q CB -0.372 28.136 28.738 -0.384 0.000 0.905 110 Q HN 0.339 nan 8.270 nan 0.000 0.429 111 F N 0.723 120.665 119.950 -0.013 0.000 2.270 111 F HA 0.135 4.663 4.527 0.001 0.000 0.295 111 F C 2.715 178.514 175.800 -0.003 0.000 1.087 111 F CA 0.731 58.731 58.000 -0.000 0.000 1.365 111 F CB -0.069 38.941 39.000 0.017 0.000 1.056 111 F HN -0.012 nan 8.300 nan 0.000 0.506 112 R N 0.959 121.551 120.500 0.152 0.000 2.096 112 R HA -0.151 4.189 4.340 0.001 0.000 0.235 112 R C 2.313 178.634 176.300 0.036 0.000 1.127 112 R CA 1.283 57.426 56.100 0.072 0.000 0.968 112 R CB -0.441 29.860 30.300 0.002 0.000 0.861 112 R HN 0.249 nan 8.270 nan 0.000 0.440 113 A N 1.240 124.064 122.820 0.006 0.000 1.883 113 A HA -0.194 4.127 4.320 0.001 0.000 0.217 113 A C 2.038 179.623 177.584 0.001 0.000 1.186 113 A CA 1.442 53.472 52.037 -0.012 0.000 0.624 113 A CB -0.673 18.303 19.000 -0.040 0.000 0.822 113 A HN 0.402 nan 8.150 nan 0.000 0.444 114 L N -0.271 120.958 121.223 0.010 0.000 2.046 114 L HA -0.040 4.301 4.340 0.001 0.000 0.208 114 L C 2.648 179.543 176.870 0.041 0.000 1.077 114 L CA 2.261 57.114 54.840 0.022 0.000 0.747 114 L CB -0.883 41.198 42.059 0.037 0.000 0.896 114 L HN 0.340 nan 8.230 nan 0.000 0.432 115 A N -0.458 122.400 122.820 0.064 0.000 1.933 115 A HA -0.266 4.055 4.320 0.001 0.000 0.218 115 A C 2.190 179.800 177.584 0.045 0.000 1.175 115 A CA 1.794 53.869 52.037 0.062 0.000 0.628 115 A CB -0.997 18.049 19.000 0.077 0.000 0.814 115 A HN 0.615 nan 8.150 nan 0.000 0.444 116 N N -0.116 118.605 118.700 0.035 0.000 2.223 116 N HA -0.167 4.574 4.740 0.001 0.000 0.185 116 N C 1.797 177.319 175.510 0.021 0.000 1.016 116 N CA 1.762 54.829 53.050 0.029 0.000 0.863 116 N CB -0.333 38.166 38.487 0.019 0.000 0.983 116 N HN 0.647 nan 8.380 nan 0.000 0.429 117 Q N -0.649 119.159 119.800 0.013 0.000 2.224 117 Q HA -0.047 4.294 4.340 0.001 0.000 0.203 117 Q C 1.882 177.885 176.000 0.005 0.000 0.970 117 Q CA 1.371 57.176 55.803 0.004 0.000 0.865 117 Q CB 0.164 28.901 28.738 -0.002 0.000 0.922 117 Q HN 0.483 nan 8.270 nan 0.000 0.445 118 V N -2.783 117.140 119.914 0.015 0.000 3.174 118 V HA 0.031 4.152 4.120 0.001 0.000 0.254 118 V C 1.621 177.724 176.094 0.016 0.000 1.120 118 V CA 0.750 63.056 62.300 0.010 0.000 1.114 118 V CB 0.231 32.063 31.823 0.015 0.000 0.756 118 V HN 0.243 nan 8.190 nan 0.000 0.467 119 V N -2.159 117.775 119.914 0.034 0.000 3.432 119 V HA 0.693 4.813 4.120 0.001 0.000 0.298 119 V C 1.108 177.232 176.094 0.050 0.000 1.464 119 V CA 0.177 62.505 62.300 0.046 0.000 1.046 119 V CB -0.628 31.240 31.823 0.075 0.000 0.887 119 V HN 0.450 nan 8.190 nan 0.000 0.441 120 G N -0.246 108.581 108.800 0.045 0.000 2.683 120 G HA2 0.300 4.261 3.960 0.001 0.000 0.260 120 G HA3 0.300 4.261 3.960 0.001 0.000 0.260 120 G C 0.554 175.471 174.900 0.028 0.000 1.238 120 G CA 0.219 45.356 45.100 0.061 0.000 0.934 120 G HN 0.168 nan 8.290 nan 0.000 0.534 121 M N 0.813 120.392 119.600 -0.034 0.000 2.113 121 M HA -0.088 4.393 4.480 0.001 0.000 0.255 121 M C -0.160 176.108 176.300 -0.054 0.000 1.073 121 M CA 2.158 57.396 55.300 -0.102 0.000 1.091 121 M CB -1.089 31.355 32.600 -0.260 0.000 1.309 121 M HN 0.346 nan 8.290 nan 0.000 0.407 122 P HA -0.140 nan 4.420 nan 0.000 0.216 122 P C 1.708 178.996 177.300 -0.020 0.000 1.150 122 P CA 1.389 64.469 63.100 -0.034 0.000 0.843 122 P CB -0.140 31.541 31.700 -0.031 0.000 0.787 123 V N -0.809 119.097 119.914 -0.014 0.000 2.379 123 V HA -0.161 3.959 4.120 0.001 0.000 0.245 123 V C 2.421 178.513 176.094 -0.005 0.000 1.044 123 V CA 1.526 63.820 62.300 -0.010 0.000 1.036 123 V CB -1.064 30.755 31.823 -0.007 0.000 0.664 123 V HN -0.035 nan 8.190 nan 0.000 0.453 124 V N 0.181 120.098 119.914 0.005 0.000 2.343 124 V HA -0.248 3.873 4.120 0.001 0.000 0.247 124 V C 2.301 178.402 176.094 0.011 0.000 1.051 124 V CA 2.112 64.421 62.300 0.015 0.000 1.036 124 V CB -0.726 31.119 31.823 0.036 0.000 0.654 124 V HN 0.532 nan 8.190 nan 0.000 0.451 125 D N 0.026 120.426 120.400 0.001 0.000 2.149 125 D HA -0.206 4.435 4.640 0.001 0.000 0.198 125 D C 2.164 178.466 176.300 0.004 0.000 0.990 125 D CA 1.448 55.449 54.000 0.002 0.000 0.839 125 D CB -0.236 40.558 40.800 -0.010 0.000 0.948 125 D HN 0.438 nan 8.370 nan 0.000 0.460 126 K N 0.418 120.817 120.400 -0.002 0.000 2.211 126 K HA -0.046 4.275 4.320 0.001 0.000 0.203 126 K C 1.923 178.523 176.600 -0.000 0.000 1.050 126 K CA 0.536 56.821 56.287 -0.004 0.000 0.945 126 K CB 0.032 32.525 32.500 -0.011 0.000 0.732 126 K HN 0.157 nan 8.250 nan 0.000 0.451 127 L N 0.398 121.622 121.223 0.002 0.000 2.509 127 L HA 0.027 4.368 4.340 0.001 0.000 0.222 127 L C 2.169 179.053 176.870 0.024 0.000 1.123 127 L CA 0.180 55.022 54.840 0.003 0.000 0.856 127 L CB -0.181 41.873 42.059 -0.008 0.000 0.985 127 L HN 0.293 nan 8.230 nan 0.000 0.456 128 E N 1.091 121.309 120.200 0.031 0.000 2.086 128 E HA -0.303 4.048 4.350 0.001 0.000 0.205 128 E C 1.728 178.365 176.600 0.061 0.000 1.027 128 E CA 1.992 58.423 56.400 0.051 0.000 0.830 128 E CB 0.118 29.843 29.700 0.042 0.000 0.751 128 E HN 0.490 nan 8.360 nan 0.000 0.456 129 N N 0.135 118.862 118.700 0.045 0.000 2.166 129 N HA -0.137 4.604 4.740 0.001 0.000 0.186 129 N C 1.814 177.359 175.510 0.058 0.000 1.019 129 N CA 1.092 54.170 53.050 0.047 0.000 0.856 129 N CB -0.266 38.240 38.487 0.032 0.000 0.993 129 N HN 0.251 nan 8.380 nan 0.000 0.426 130 R N 0.541 121.070 120.500 0.049 0.000 2.115 130 R HA 0.113 4.454 4.340 0.001 0.000 0.226 130 R C 2.250 178.606 176.300 0.093 0.000 1.100 130 R CA 0.539 56.671 56.100 0.053 0.000 0.980 130 R CB -0.223 30.092 30.300 0.025 0.000 0.875 130 R HN 0.257 nan 8.270 nan 0.000 0.445 131 I N 0.927 121.560 120.570 0.105 0.000 2.252 131 I HA -0.279 3.892 4.170 0.001 0.000 0.245 131 I C 2.711 179.011 176.117 0.304 0.000 1.102 131 I CA 1.194 62.609 61.300 0.192 0.000 1.385 131 I CB -0.248 37.842 38.000 0.149 0.000 1.064 131 I HN 0.103 nan 8.210 nan 0.000 0.414 132 Q N 1.507 121.422 119.800 0.190 0.000 2.030 132 Q HA -0.290 4.050 4.340 0.001 0.000 0.204 132 Q C 2.027 178.105 176.000 0.129 0.000 0.986 132 Q CA 2.214 58.107 55.803 0.151 0.000 0.843 132 Q CB -0.297 28.500 28.738 0.099 0.000 0.904 132 Q HN 0.490 nan 8.270 nan 0.000 0.420 133 E N -0.850 119.416 120.200 0.110 0.000 2.051 133 E HA -0.210 4.141 4.350 0.001 0.000 0.192 133 E C 1.887 178.551 176.600 0.107 0.000 0.991 133 E CA 1.279 57.731 56.400 0.086 0.000 0.799 133 E CB -0.264 29.476 29.700 0.067 0.000 0.748 133 E HN 0.403 nan 8.360 nan 0.000 0.449 134 L N 0.897 122.216 121.223 0.160 0.000 2.046 134 L HA -0.075 4.265 4.340 0.001 0.000 0.208 134 L C 2.254 179.237 176.870 0.188 0.000 1.077 134 L CA 2.184 57.139 54.840 0.192 0.000 0.747 134 L CB -0.861 41.353 42.059 0.257 0.000 0.896 134 L HN 0.198 nan 8.230 nan 0.000 0.432 135 A N -1.117 121.808 122.820 0.176 0.000 1.865 135 A HA -0.260 4.061 4.320 0.001 0.000 0.217 135 A C 2.412 180.023 177.584 0.043 0.000 1.191 135 A CA 2.005 54.003 52.037 -0.064 0.000 0.623 135 A CB -1.520 17.374 19.000 -0.176 0.000 0.826 135 A HN 0.622 nan 8.150 nan 0.000 0.444 136 C N -1.211 118.111 119.300 0.037 0.000 2.429 136 C HA -0.071 4.390 4.460 0.001 0.000 0.277 136 C C 3.309 178.305 174.990 0.009 0.000 1.262 136 C CA 1.379 60.401 59.018 0.006 0.000 1.733 136 C CB -1.224 26.523 27.740 0.012 0.000 2.010 136 C HN 0.699 nan 8.230 nan 0.000 0.483 137 S N 0.287 116.010 115.700 0.039 0.000 2.359 137 S HA -0.125 4.346 4.470 0.001 0.000 0.224 137 S C 1.754 176.381 174.600 0.044 0.000 1.035 137 S CA 1.514 59.737 58.200 0.038 0.000 1.018 137 S CB -0.306 62.925 63.200 0.051 0.000 0.876 137 S HN 0.598 nan 8.310 nan 0.000 0.448 138 L N 0.751 122.023 121.223 0.082 0.000 2.027 138 L HA -0.045 4.296 4.340 0.001 0.000 0.206 138 L C 2.392 179.313 176.870 0.084 0.000 1.074 138 L CA 1.301 56.215 54.840 0.122 0.000 0.745 138 L CB -0.478 41.707 42.059 0.211 0.000 0.898 138 L HN 0.367 nan 8.230 nan 0.000 0.433 139 I N -0.460 120.118 120.570 0.013 0.000 2.315 139 I HA -0.247 3.924 4.170 0.001 0.000 0.248 139 I C 2.581 178.560 176.117 -0.230 0.000 1.117 139 I CA 0.965 62.123 61.300 -0.236 0.000 1.404 139 I CB -0.225 37.556 38.000 -0.365 0.000 1.071 139 I HN 0.265 nan 8.210 nan 0.000 0.419 140 E N 1.272 121.398 120.200 -0.123 0.000 2.077 140 E HA -0.169 4.182 4.350 0.001 0.000 0.193 140 E C 2.157 178.732 176.600 -0.042 0.000 0.989 140 E CA 1.745 58.090 56.400 -0.090 0.000 0.800 140 E CB -0.144 29.525 29.700 -0.051 0.000 0.746 140 E HN 0.251 nan 8.360 nan 0.000 0.452 141 S N -0.180 115.514 115.700 -0.010 0.000 2.423 141 S HA -0.032 4.439 4.470 0.001 0.000 0.231 141 S C 1.794 176.421 174.600 0.045 0.000 1.014 141 S CA 0.953 59.166 58.200 0.021 0.000 0.965 141 S CB -0.163 63.057 63.200 0.034 0.000 0.785 141 S HN 0.267 nan 8.310 nan 0.000 0.495 142 L N 0.610 121.862 121.223 0.048 0.000 2.162 142 L HA 0.091 4.432 4.340 0.001 0.000 0.205 142 L C 2.570 179.595 176.870 0.258 0.000 1.086 142 L CA 0.533 55.463 54.840 0.150 0.000 0.778 142 L CB -0.443 41.715 42.059 0.164 0.000 0.928 142 L HN 0.207 nan 8.230 nan 0.000 0.446 143 R N 0.984 121.526 120.500 0.069 0.000 2.162 143 R HA -0.222 4.119 4.340 0.001 0.000 0.245 143 R C -0.528 175.957 176.300 0.307 0.000 1.129 143 R CA 2.634 58.793 56.100 0.099 0.000 0.940 143 R CB -1.359 28.886 30.300 -0.090 0.000 0.875 143 R HN 0.247 nan 8.270 nan 0.000 0.437 144 P HA -0.113 nan 4.420 nan 0.000 0.223 144 P C 0.452 177.784 177.300 0.054 0.000 1.151 144 P CA 1.340 64.500 63.100 0.101 0.000 0.787 144 P CB -0.041 31.687 31.700 0.047 0.000 0.788 145 Q N -0.567 119.259 119.800 0.044 0.000 2.297 145 Q HA 0.078 4.419 4.340 0.001 0.000 0.204 145 Q C 1.518 177.327 176.000 -0.318 0.000 0.962 145 Q CA 0.828 56.579 55.803 -0.086 0.000 0.879 145 Q CB -0.540 28.168 28.738 -0.051 0.000 0.947 145 Q HN 0.273 nan 8.270 nan 0.000 0.462 146 G N 1.638 110.101 108.800 -0.563 0.000 2.168 146 G HA2 -0.321 3.640 3.960 0.001 0.000 0.257 146 G HA3 -0.321 3.640 3.960 0.001 0.000 0.257 146 G C -0.111 173.740 174.900 -1.749 0.000 0.997 146 G CA 0.889 45.160 45.100 -1.382 0.000 0.708 146 G HN 0.478 nan 8.290 nan 0.000 0.520 147 Q N -2.277 116.501 119.800 -1.704 0.000 2.848 147 Q HA 0.600 4.940 4.340 0.001 0.000 0.288 147 Q C -0.418 175.363 176.000 -0.366 0.000 0.907 147 Q CA -0.781 54.431 55.803 -0.984 0.000 0.792 147 Q CB 1.205 29.681 28.738 -0.436 0.000 1.534 147 Q HN 1.620 nan 8.270 nan 0.000 0.419 148 C N -0.389 118.923 119.300 0.020 0.000 3.253 148 C HA 0.617 5.077 4.460 0.001 0.000 0.342 148 C C -1.744 173.378 174.990 0.221 0.000 1.306 148 C CA -0.815 58.333 59.018 0.216 0.000 1.207 148 C CB 1.344 29.374 27.740 0.483 0.000 1.479 148 C HN 0.885 nan 8.230 nan 0.000 0.469 149 N N 1.376 120.187 118.700 0.185 0.000 2.817 149 N HA 0.253 4.994 4.740 0.001 0.000 0.234 149 N C 0.329 175.955 175.510 0.194 0.000 1.066 149 N CA -0.329 52.816 53.050 0.158 0.000 0.926 149 N CB 0.816 39.359 38.487 0.093 0.000 1.176 149 N HN 0.754 nan 8.380 nan 0.000 0.506 150 F N 2.765 122.779 119.950 0.106 0.000 2.087 150 F HA -0.326 4.201 4.527 0.001 0.000 0.299 150 F C 2.564 178.411 175.800 0.079 0.000 1.100 150 F CA 2.159 60.212 58.000 0.089 0.000 1.226 150 F CB -0.301 38.679 39.000 -0.033 0.000 0.983 150 F HN 0.407 nan 8.300 nan 0.000 0.479 151 T N -1.393 113.192 114.554 0.052 0.000 2.684 151 T HA -0.303 4.048 4.350 0.001 0.000 0.267 151 T C 1.727 176.369 174.700 -0.096 0.000 1.036 151 T CA 1.696 63.766 62.100 -0.050 0.000 1.148 151 T CB -0.920 67.952 68.868 0.007 0.000 0.863 151 T HN 0.696 nan 8.240 nan 0.000 0.436 152 E N 0.913 121.091 120.200 -0.036 0.000 2.190 152 E HA -0.058 4.293 4.350 0.001 0.000 0.191 152 E C 1.384 177.968 176.600 -0.027 0.000 0.978 152 E CA 0.854 57.238 56.400 -0.026 0.000 0.839 152 E CB -0.152 29.553 29.700 0.008 0.000 0.787 152 E HN 0.396 nan 8.360 nan 0.000 0.473 153 D N -0.860 119.537 120.400 -0.005 0.000 2.323 153 D HA -0.011 4.630 4.640 0.001 0.000 0.209 153 D C 0.587 176.920 176.300 0.056 0.000 0.973 153 D CA 0.771 54.802 54.000 0.051 0.000 0.874 153 D CB 0.295 41.179 40.800 0.140 0.000 0.930 153 D HN 0.309 nan 8.370 nan 0.000 0.521 154 Y N -0.345 119.782 120.300 -0.289 0.000 3.032 154 Y HA 0.304 4.854 4.550 0.000 0.000 0.232 154 Y C 1.965 177.633 175.900 -0.387 0.000 1.099 154 Y CA 0.545 58.438 58.100 -0.345 0.000 1.328 154 Y CB -0.215 37.964 38.460 -0.467 0.000 1.432 154 Y HN -0.150 nan 8.280 nan 0.000 0.433 155 A N 0.973 123.420 122.820 -0.621 0.000 1.917 155 A HA -0.223 4.097 4.320 0.001 0.000 0.219 155 A C 1.804 179.294 177.584 -0.158 0.000 1.182 155 A CA 2.494 54.342 52.037 -0.315 0.000 0.633 155 A CB -0.609 18.233 19.000 -0.263 0.000 0.819 155 A HN 0.690 nan 8.150 nan 0.000 0.448 156 E N -0.880 119.224 120.200 -0.160 0.000 2.030 156 E HA -0.075 4.276 4.350 0.001 0.000 0.189 156 E C -0.496 176.047 176.600 -0.096 0.000 0.974 156 E CA 0.723 57.065 56.400 -0.097 0.000 0.807 156 E CB -0.644 29.015 29.700 -0.068 0.000 0.771 156 E HN 0.507 nan 8.360 nan 0.000 0.451 157 P HA -0.210 nan 4.420 nan 0.000 0.216 157 P C 1.408 178.662 177.300 -0.077 0.000 1.150 157 P CA 1.213 64.268 63.100 -0.074 0.000 0.837 157 P CB -0.071 31.596 31.700 -0.054 0.000 0.786 158 F N 2.606 122.335 119.950 -0.368 0.000 2.014 158 F HA -0.057 4.470 4.527 0.000 0.000 0.295 158 F C -0.831 174.862 175.800 -0.179 0.000 1.145 158 F CA 1.605 59.373 58.000 -0.386 0.000 1.178 158 F CB -2.039 36.453 39.000 -0.846 0.000 0.972 158 F HN -0.028 nan 8.300 nan 0.000 0.476 159 P HA -0.119 nan 4.420 nan 0.000 0.217 159 P C 2.131 179.321 177.300 -0.184 0.000 1.150 159 P CA 1.950 64.817 63.100 -0.388 0.000 0.832 159 P CB -0.099 31.504 31.700 -0.162 0.000 0.787 160 I N -0.758 119.748 120.570 -0.106 0.000 2.202 160 I HA -0.223 3.947 4.170 0.001 0.000 0.242 160 I C 2.474 178.601 176.117 0.015 0.000 1.091 160 I CA 1.469 62.759 61.300 -0.018 0.000 1.368 160 I CB -0.484 37.502 38.000 -0.024 0.000 1.058 160 I HN -0.130 nan 8.210 nan 0.000 0.410 161 R N 0.446 120.924 120.500 -0.037 0.000 2.096 161 R HA -0.125 4.216 4.340 0.001 0.000 0.235 161 R C 2.260 178.533 176.300 -0.044 0.000 1.127 161 R CA 1.117 57.203 56.100 -0.024 0.000 0.968 161 R CB -0.182 30.105 30.300 -0.021 0.000 0.861 161 R HN 0.286 nan 8.270 nan 0.000 0.440 162 I N 0.087 120.595 120.570 -0.103 0.000 2.252 162 I HA -0.254 3.917 4.170 0.001 0.000 0.245 162 I C 2.168 178.250 176.117 -0.057 0.000 1.102 162 I CA 1.275 62.507 61.300 -0.113 0.000 1.385 162 I CB -0.877 36.986 38.000 -0.229 0.000 1.064 162 I HN 0.068 nan 8.210 nan 0.000 0.414 163 F N 1.515 121.393 119.950 -0.120 0.000 2.146 163 F HA -0.216 4.312 4.527 0.002 0.000 0.298 163 F C 2.556 178.326 175.800 -0.050 0.000 1.096 163 F CA 1.525 59.478 58.000 -0.080 0.000 1.275 163 F CB -0.147 38.806 39.000 -0.077 0.000 1.008 163 F HN -0.087 nan 8.300 nan 0.000 0.480 164 M N 0.089 119.675 119.600 -0.023 0.000 2.213 164 M HA -0.169 4.312 4.480 0.001 0.000 0.263 164 M C 2.310 178.524 176.300 -0.143 0.000 1.062 164 M CA 1.044 56.301 55.300 -0.070 0.000 1.105 164 M CB -1.451 31.172 32.600 0.038 0.000 1.385 164 M HN 0.311 nan 8.290 nan 0.000 0.417 165 L N 0.421 121.569 121.223 -0.124 0.000 2.056 165 L HA -0.162 4.179 4.340 0.001 0.000 0.207 165 L C 2.263 179.038 176.870 -0.158 0.000 1.078 165 L CA 1.598 56.374 54.840 -0.107 0.000 0.749 165 L CB -0.938 41.077 42.059 -0.074 0.000 0.901 165 L HN 0.253 nan 8.230 nan 0.000 0.433 166 L N 1.110 122.191 121.223 -0.237 0.000 2.046 166 L HA -0.068 4.273 4.340 0.001 0.000 0.208 166 L C 2.416 179.091 176.870 -0.325 0.000 1.077 166 L CA 2.168 56.847 54.840 -0.269 0.000 0.747 166 L CB -0.863 41.004 42.059 -0.320 0.000 0.896 166 L HN 0.261 nan 8.230 nan 0.000 0.432 167 A N -0.909 121.614 122.820 -0.495 0.000 2.238 167 A HA 0.351 4.672 4.320 0.001 0.000 0.208 167 A C 1.607 179.085 177.584 -0.176 0.000 1.177 167 A CA 0.545 52.353 52.037 -0.382 0.000 0.804 167 A CB -1.149 17.532 19.000 -0.531 0.000 0.823 167 A HN 0.877 nan 8.150 nan 0.000 0.482 168 G N -0.609 108.104 108.800 -0.145 0.000 2.273 168 G HA2 -0.220 3.741 3.960 0.001 0.000 0.280 168 G HA3 -0.220 3.741 3.960 0.001 0.000 0.280 168 G C -0.128 174.752 174.900 -0.034 0.000 1.047 168 G CA 0.622 45.677 45.100 -0.075 0.000 0.869 168 G HN 0.495 nan 8.290 nan 0.000 0.502 169 L N 0.645 121.858 121.223 -0.017 0.000 2.334 169 L HA 0.519 4.860 4.340 0.001 0.000 0.276 169 L C -1.615 175.289 176.870 0.057 0.000 1.014 169 L CA -2.513 52.360 54.840 0.056 0.000 0.815 169 L CB 1.996 44.135 42.059 0.134 0.000 1.268 169 L HN -0.045 nan 8.230 nan 0.000 0.428 170 P HA 0.044 nan 4.420 nan 0.000 0.267 170 P C -0.109 177.231 177.300 0.067 0.000 1.205 170 P CA -0.049 63.087 63.100 0.061 0.000 0.765 170 P CB 0.806 32.544 31.700 0.063 0.000 0.828 171 E N 2.279 122.505 120.200 0.044 0.000 2.209 171 E HA -0.216 4.135 4.350 0.001 0.000 0.196 171 E C 1.522 178.148 176.600 0.043 0.000 0.993 171 E CA 1.203 57.626 56.400 0.039 0.000 0.819 171 E CB -0.011 29.704 29.700 0.026 0.000 0.745 171 E HN 0.691 nan 8.360 nan 0.000 0.477 172 E N 1.073 121.300 120.200 0.046 0.000 2.409 172 E HA -0.184 4.167 4.350 0.001 0.000 0.198 172 E C 0.753 177.389 176.600 0.060 0.000 1.024 172 E CA 0.928 57.355 56.400 0.045 0.000 0.861 172 E CB 0.023 29.746 29.700 0.039 0.000 0.788 172 E HN 0.119 nan 8.360 nan 0.000 0.521 173 D N 0.705 121.154 120.400 0.082 0.000 2.349 173 D HA 0.097 4.737 4.640 0.001 0.000 0.215 173 D C 1.722 178.048 176.300 0.044 0.000 1.016 173 D CA 0.159 54.218 54.000 0.098 0.000 0.870 173 D CB 0.058 40.965 40.800 0.177 0.000 0.917 173 D HN 0.299 nan 8.370 nan 0.000 0.524 174 I N 1.398 121.990 120.570 0.037 0.000 2.163 174 I HA -0.205 3.966 4.170 0.001 0.000 0.243 174 I C -0.606 175.523 176.117 0.021 0.000 1.085 174 I CA 1.173 62.483 61.300 0.015 0.000 1.347 174 I CB -1.192 36.819 38.000 0.018 0.000 1.044 174 I HN 0.003 nan 8.210 nan 0.000 0.408 175 P HA -0.217 nan 4.420 nan 0.000 0.215 175 P C 1.481 178.842 177.300 0.102 0.000 1.157 175 P CA 1.646 64.782 63.100 0.060 0.000 0.874 175 P CB -0.053 31.678 31.700 0.051 0.000 0.790 176 H N -0.439 118.630 119.070 -0.002 0.000 2.299 176 H HA -0.048 4.509 4.556 0.001 0.000 0.302 176 H C 1.820 177.147 175.328 -0.002 0.000 1.078 176 H CA 1.521 57.575 56.048 0.009 0.000 1.323 176 H CB -1.060 28.690 29.762 -0.022 0.000 1.381 176 H HN -0.066 nan 8.280 nan 0.000 0.498 177 L N -0.066 121.056 121.223 -0.167 0.000 2.017 177 L HA -0.166 4.174 4.340 0.001 0.000 0.208 177 L C 2.549 179.308 176.870 -0.184 0.000 1.073 177 L CA 1.730 56.400 54.840 -0.282 0.000 0.745 177 L CB -0.509 41.384 42.059 -0.277 0.000 0.894 177 L HN 0.216 nan 8.230 nan 0.000 0.432 178 K N 0.063 120.408 120.400 -0.092 0.000 2.097 178 K HA -0.256 4.065 4.320 0.001 0.000 0.206 178 K C 2.125 178.692 176.600 -0.055 0.000 1.049 178 K CA 1.570 57.819 56.287 -0.064 0.000 0.933 178 K CB -0.637 31.850 32.500 -0.021 0.000 0.717 178 K HN 0.276 nan 8.250 nan 0.000 0.442 179 Y N 0.650 120.879 120.300 -0.118 0.000 2.181 179 Y HA -0.116 4.434 4.550 0.001 0.000 0.288 179 Y C 1.566 177.384 175.900 -0.137 0.000 1.146 179 Y CA 1.742 59.781 58.100 -0.101 0.000 1.164 179 Y CB -0.180 38.230 38.460 -0.082 0.000 0.982 179 Y HN 0.023 nan 8.280 nan 0.000 0.515 180 L N -0.226 120.792 121.223 -0.342 0.000 2.027 180 L HA -0.207 4.134 4.340 0.001 0.000 0.206 180 L C 2.678 179.347 176.870 -0.335 0.000 1.074 180 L CA 1.974 56.566 54.840 -0.414 0.000 0.745 180 L CB -1.246 40.602 42.059 -0.352 0.000 0.898 180 L HN 0.403 nan 8.230 nan 0.000 0.433 181 T N -3.550 110.863 114.554 -0.235 0.000 2.746 181 T HA -0.201 4.150 4.350 0.001 0.000 0.267 181 T C 1.461 176.094 174.700 -0.111 0.000 1.039 181 T CA 1.516 63.530 62.100 -0.144 0.000 1.142 181 T CB -0.454 68.343 68.868 -0.118 0.000 0.866 181 T HN 0.180 nan 8.240 nan 0.000 0.444 182 D N 1.167 121.476 120.400 -0.151 0.000 2.218 182 D HA -0.056 4.584 4.640 0.001 0.000 0.204 182 D C 2.352 178.572 176.300 -0.134 0.000 0.976 182 D CA 0.732 54.666 54.000 -0.110 0.000 0.853 182 D CB -0.291 40.446 40.800 -0.104 0.000 0.939 182 D HN 0.371 nan 8.370 nan 0.000 0.481 183 Q N -0.609 119.028 119.800 -0.272 0.000 2.369 183 Q HA 0.080 4.421 4.340 0.001 0.000 0.206 183 Q C 1.948 177.895 176.000 -0.088 0.000 0.963 183 Q CA 0.468 56.123 55.803 -0.247 0.000 0.894 183 Q CB -0.107 28.386 28.738 -0.408 0.000 0.965 183 Q HN 0.446 nan 8.270 nan 0.000 0.475 184 M N -0.504 119.079 119.600 -0.029 0.000 2.476 184 M HA -0.035 4.446 4.480 0.001 0.000 0.262 184 M C 1.674 178.217 176.300 0.405 0.000 1.111 184 M CA 1.437 56.865 55.300 0.213 0.000 1.127 184 M CB 0.190 32.882 32.600 0.154 0.000 1.376 184 M HN 0.217 nan 8.290 nan 0.000 0.465 185 T N -2.293 112.396 114.554 0.226 0.000 3.056 185 T HA 0.190 4.541 4.350 0.001 0.000 0.241 185 T C 1.069 175.905 174.700 0.227 0.000 1.006 185 T CA -0.127 62.094 62.100 0.202 0.000 1.115 185 T CB 0.164 69.115 68.868 0.137 0.000 0.939 185 T HN 0.237 nan 8.240 nan 0.000 0.462 186 R N 2.349 122.937 120.500 0.146 0.000 2.653 186 R HA 0.325 4.666 4.340 0.001 0.000 0.269 186 R C -2.948 173.370 176.300 0.029 0.000 1.603 186 R CA -1.639 54.552 56.100 0.152 0.000 1.671 186 R CB 1.174 31.555 30.300 0.134 0.000 1.300 186 R HN 0.372 nan 8.270 nan 0.000 0.668 187 P HA -0.056 nan 4.420 nan 0.000 0.264 187 P C -0.365 176.890 177.300 -0.075 0.000 1.193 187 P CA 0.327 63.369 63.100 -0.097 0.000 0.763 187 P CB 0.887 32.505 31.700 -0.137 0.000 0.810 188 D N 1.588 121.963 120.400 -0.041 0.000 2.350 188 D HA 0.115 4.756 4.640 0.001 0.000 0.213 188 D C 1.426 177.722 176.300 -0.006 0.000 1.031 188 D CA 0.520 54.517 54.000 -0.004 0.000 0.861 188 D CB -0.259 40.564 40.800 0.038 0.000 0.926 188 D HN 0.602 nan 8.370 nan 0.000 0.520 189 G N -0.049 108.737 108.800 -0.023 0.000 2.218 189 G HA2 -0.340 3.620 3.960 0.001 0.000 0.216 189 G HA3 -0.340 3.620 3.960 0.001 0.000 0.216 189 G C 1.317 176.224 174.900 0.011 0.000 0.994 189 G CA 0.558 45.649 45.100 -0.016 0.000 0.637 189 G HN 0.575 nan 8.290 nan 0.000 0.505 190 S N -0.518 115.208 115.700 0.042 0.000 2.402 190 S HA 0.408 4.879 4.470 0.001 0.000 0.229 190 S C 1.033 175.673 174.600 0.067 0.000 1.021 190 S CA 1.337 59.584 58.200 0.079 0.000 0.974 190 S CB 0.066 63.366 63.200 0.167 0.000 0.800 190 S HN 0.558 nan 8.310 nan 0.000 0.484 191 M N 1.664 121.281 119.600 0.029 0.000 2.501 191 M HA 0.362 4.843 4.480 0.001 0.000 0.293 191 M C -0.454 175.830 176.300 -0.026 0.000 1.192 191 M CA -0.609 54.691 55.300 0.000 0.000 0.886 191 M CB 2.629 35.213 32.600 -0.027 0.000 1.710 191 M HN 0.227 nan 8.290 nan 0.000 0.457 192 T N -1.647 112.900 114.554 -0.011 0.000 2.824 192 T HA 0.321 4.671 4.350 0.001 0.000 0.277 192 T C 0.688 175.400 174.700 0.020 0.000 0.975 192 T CA -0.508 61.602 62.100 0.018 0.000 0.966 192 T CB 0.848 69.737 68.868 0.035 0.000 1.054 192 T HN 0.583 nan 8.240 nan 0.000 0.533 193 F N 1.190 121.113 119.950 -0.045 0.000 2.134 193 F HA 0.051 4.579 4.527 0.001 0.000 0.299 193 F C 2.607 178.348 175.800 -0.097 0.000 1.097 193 F CA 1.747 59.717 58.000 -0.049 0.000 1.264 193 F CB -0.906 38.093 39.000 -0.002 0.000 1.001 193 F HN 0.734 nan 8.300 nan 0.000 0.479 194 A N 0.233 123.127 122.820 0.122 0.000 1.883 194 A HA -0.246 4.074 4.320 0.001 0.000 0.217 194 A C 2.093 179.613 177.584 -0.105 0.000 1.186 194 A CA 2.089 54.137 52.037 0.018 0.000 0.624 194 A CB -0.949 18.086 19.000 0.059 0.000 0.822 194 A HN 0.579 nan 8.150 nan 0.000 0.444 195 E N -0.328 119.825 120.200 -0.078 0.000 2.051 195 E HA -0.087 4.264 4.350 0.001 0.000 0.192 195 E C 2.330 178.847 176.600 -0.139 0.000 0.991 195 E CA 0.958 57.314 56.400 -0.074 0.000 0.799 195 E CB -0.318 29.365 29.700 -0.028 0.000 0.748 195 E HN 0.617 nan 8.360 nan 0.000 0.449 196 A N 1.745 124.429 122.820 -0.226 0.000 1.933 196 A HA -0.222 4.099 4.320 0.001 0.000 0.218 196 A C 2.080 179.427 177.584 -0.395 0.000 1.175 196 A CA 1.511 53.369 52.037 -0.299 0.000 0.628 196 A CB -0.357 18.418 19.000 -0.375 0.000 0.814 196 A HN 0.053 nan 8.150 nan 0.000 0.444 197 K N -0.638 119.416 120.400 -0.576 0.000 2.057 197 K HA -0.186 4.135 4.320 0.001 0.000 0.206 197 K C 1.890 178.160 176.600 -0.550 0.000 1.050 197 K CA 1.620 57.477 56.287 -0.718 0.000 0.935 197 K CB -0.115 31.870 32.500 -0.859 0.000 0.715 197 K HN 0.315 nan 8.250 nan 0.000 0.439 198 E N 0.277 120.306 120.200 -0.286 0.000 2.110 198 E HA -0.114 4.237 4.350 0.001 0.000 0.193 198 E C 1.605 178.207 176.600 0.002 0.000 0.988 198 E CA 1.304 57.657 56.400 -0.079 0.000 0.804 198 E CB -0.149 29.540 29.700 -0.019 0.000 0.745 198 E HN 0.422 nan 8.360 nan 0.000 0.458 199 A N -0.127 122.673 122.820 -0.033 0.000 1.968 199 A HA -0.061 4.260 4.320 0.001 0.000 0.217 199 A C 2.069 179.707 177.584 0.090 0.000 1.169 199 A CA 0.825 52.898 52.037 0.059 0.000 0.638 199 A CB -0.391 18.640 19.000 0.051 0.000 0.812 199 A HN 0.286 nan 8.150 nan 0.000 0.446 200 L N -1.671 119.537 121.223 -0.026 0.000 2.109 200 L HA -0.053 4.288 4.340 0.001 0.000 0.207 200 L C 2.199 179.224 176.870 0.259 0.000 1.086 200 L CA 1.698 56.558 54.840 0.033 0.000 0.760 200 L CB -0.637 41.364 42.059 -0.096 0.000 0.910 200 L HN 0.436 nan 8.230 nan 0.000 0.437 201 Y N -0.332 120.025 120.300 0.095 0.000 2.242 201 Y HA -0.190 4.360 4.550 0.001 0.000 0.291 201 Y C 2.520 178.481 175.900 0.101 0.000 1.137 201 Y CA 1.138 59.294 58.100 0.094 0.000 1.181 201 Y CB -1.011 37.481 38.460 0.054 0.000 0.989 201 Y HN 0.392 nan 8.280 nan 0.000 0.527 202 D N -1.044 119.519 120.400 0.272 0.000 2.144 202 D HA -0.262 4.379 4.640 0.001 0.000 0.199 202 D C 2.140 178.557 176.300 0.195 0.000 0.984 202 D CA 1.089 55.203 54.000 0.189 0.000 0.834 202 D CB -0.368 40.529 40.800 0.161 0.000 0.955 202 D HN 0.337 nan 8.370 nan 0.000 0.465 203 Y N 0.489 120.868 120.300 0.133 0.000 2.200 203 Y HA -0.074 4.476 4.550 0.001 0.000 0.290 203 Y C 1.832 177.790 175.900 0.097 0.000 1.137 203 Y CA 1.446 59.620 58.100 0.123 0.000 1.163 203 Y CB -0.194 38.359 38.460 0.156 0.000 0.988 203 Y HN 0.020 nan 8.280 nan 0.000 0.518 204 L N -0.460 120.872 121.223 0.181 0.000 2.109 204 L HA -0.167 4.173 4.340 0.001 0.000 0.207 204 L C 2.401 179.258 176.870 -0.021 0.000 1.086 204 L CA 0.961 55.839 54.840 0.063 0.000 0.760 204 L CB -0.545 41.628 42.059 0.190 0.000 0.910 204 L HN 0.259 nan 8.230 nan 0.000 0.437 205 I N 0.551 121.125 120.570 0.007 0.000 2.091 205 I HA -0.297 3.874 4.170 0.001 0.000 0.240 205 I C -0.172 175.919 176.117 -0.044 0.000 1.046 205 I CA 1.963 63.251 61.300 -0.019 0.000 1.306 205 I CB -1.646 36.355 38.000 0.001 0.000 1.018 205 I HN 0.280 nan 8.210 nan 0.000 0.404 206 P HA -0.113 nan 4.420 nan 0.000 0.219 206 P C 1.876 179.125 177.300 -0.086 0.000 1.150 206 P CA 1.625 64.683 63.100 -0.070 0.000 0.814 206 P CB -0.054 31.600 31.700 -0.076 0.000 0.787 207 I N -0.393 120.101 120.570 -0.126 0.000 2.252 207 I HA -0.191 3.980 4.170 0.001 0.000 0.245 207 I C 2.686 178.762 176.117 -0.068 0.000 1.102 207 I CA 1.215 62.444 61.300 -0.119 0.000 1.385 207 I CB -0.551 37.342 38.000 -0.180 0.000 1.064 207 I HN -0.183 nan 8.210 nan 0.000 0.414 208 I N 0.378 120.916 120.570 -0.054 0.000 2.226 208 I HA -0.257 3.914 4.170 0.001 0.000 0.245 208 I C 2.642 178.739 176.117 -0.032 0.000 1.100 208 I CA 1.257 62.537 61.300 -0.033 0.000 1.374 208 I CB -0.405 37.579 38.000 -0.028 0.000 1.057 208 I HN 0.257 nan 8.210 nan 0.000 0.413 209 E N 0.476 120.654 120.200 -0.036 0.000 2.077 209 E HA -0.253 4.098 4.350 0.001 0.000 0.193 209 E C 2.086 178.669 176.600 -0.029 0.000 0.989 209 E CA 1.085 57.467 56.400 -0.030 0.000 0.800 209 E CB -0.261 29.421 29.700 -0.029 0.000 0.746 209 E HN 0.451 nan 8.360 nan 0.000 0.452 210 Q N 0.680 120.458 119.800 -0.036 0.000 2.096 210 Q HA -0.146 4.195 4.340 0.001 0.000 0.204 210 Q C 1.927 177.910 176.000 -0.029 0.000 0.982 210 Q CA 1.301 57.084 55.803 -0.034 0.000 0.850 210 Q CB -0.021 28.691 28.738 -0.043 0.000 0.901 210 Q HN 0.214 nan 8.270 nan 0.000 0.422 211 R N -0.604 119.878 120.500 -0.030 0.000 2.275 211 R HA 0.054 4.394 4.340 0.001 0.000 0.199 211 R C 2.128 178.415 176.300 -0.020 0.000 0.989 211 R CA 0.272 56.356 56.100 -0.026 0.000 1.016 211 R CB 0.098 30.382 30.300 -0.027 0.000 0.918 211 R HN 0.126 nan 8.270 nan 0.000 0.473 212 R N -0.067 120.421 120.500 -0.019 0.000 2.200 212 R HA 0.022 4.362 4.340 0.001 0.000 0.208 212 R C 1.854 178.145 176.300 -0.015 0.000 1.033 212 R CA 0.609 56.700 56.100 -0.015 0.000 1.000 212 R CB 0.270 30.562 30.300 -0.014 0.000 0.906 212 R HN 0.115 nan 8.270 nan 0.000 0.462 213 Q N 0.802 120.592 119.800 -0.017 0.000 2.165 213 Q HA -0.015 4.326 4.340 0.001 0.000 0.197 213 Q C 0.101 176.092 176.000 -0.015 0.000 0.952 213 Q CA 1.191 56.985 55.803 -0.015 0.000 0.848 213 Q CB 0.424 29.152 28.738 -0.016 0.000 0.931 213 Q HN 0.302 nan 8.270 nan 0.000 0.470 214 K N 0.506 120.895 120.400 -0.017 0.000 2.687 214 K HA 0.488 4.808 4.320 0.001 0.000 0.197 214 K C -2.817 173.772 176.600 -0.018 0.000 1.049 214 K CA -1.722 54.555 56.287 -0.017 0.000 1.030 214 K CB 1.349 33.839 32.500 -0.017 0.000 1.261 214 K HN -0.214 nan 8.250 nan 0.000 0.565 215 P HA -0.016 nan 4.420 nan 0.000 0.265 215 P C 0.131 177.419 177.300 -0.020 0.000 1.193 215 P CA 0.216 63.305 63.100 -0.018 0.000 0.765 215 P CB 1.046 32.736 31.700 -0.016 0.000 0.823 216 G N 0.877 109.663 108.800 -0.023 0.000 2.828 216 G HA2 0.456 4.417 3.960 0.001 0.000 0.244 216 G HA3 0.456 4.417 3.960 0.001 0.000 0.244 216 G C 0.339 175.223 174.900 -0.026 0.000 1.365 216 G CA -0.219 44.866 45.100 -0.025 0.000 1.041 216 G HN 0.423 nan 8.290 nan 0.000 0.560 217 T N -1.718 112.818 114.554 -0.030 0.000 3.085 217 T HA 0.201 4.552 4.350 0.001 0.000 0.264 217 T C 0.375 175.051 174.700 -0.041 0.000 1.019 217 T CA 0.238 62.319 62.100 -0.031 0.000 0.910 217 T CB -0.254 68.597 68.868 -0.028 0.000 1.059 217 T HN 0.585 nan 8.240 nan 0.000 0.542 218 D N 1.045 121.416 120.400 -0.049 0.000 2.358 218 D HA 0.334 4.975 4.640 0.001 0.000 0.244 218 D C 1.448 177.706 176.300 -0.070 0.000 1.163 218 D CA -0.137 53.821 54.000 -0.070 0.000 0.945 218 D CB 1.481 42.235 40.800 -0.075 0.000 1.152 218 D HN 0.095 nan 8.370 nan 0.000 0.451 219 A N 1.223 123.983 122.820 -0.101 0.000 1.940 219 A HA -0.167 4.154 4.320 0.001 0.000 0.219 219 A C 2.261 179.818 177.584 -0.045 0.000 1.176 219 A CA 1.044 53.033 52.037 -0.080 0.000 0.631 219 A CB -0.566 18.356 19.000 -0.129 0.000 0.814 219 A HN 0.636 nan 8.150 nan 0.000 0.446 220 I N 0.134 120.675 120.570 -0.050 0.000 2.179 220 I HA -0.175 3.996 4.170 0.001 0.000 0.242 220 I C 2.602 178.710 176.117 -0.015 0.000 1.088 220 I CA 1.814 63.104 61.300 -0.016 0.000 1.357 220 I CB -1.633 36.359 38.000 -0.012 0.000 1.051 220 I HN 0.240 nan 8.210 nan 0.000 0.409 221 S N 1.089 116.774 115.700 -0.024 0.000 2.370 221 S HA -0.120 4.351 4.470 0.001 0.000 0.226 221 S C 2.112 176.703 174.600 -0.014 0.000 1.033 221 S CA 1.208 59.396 58.200 -0.020 0.000 1.011 221 S CB -0.327 62.858 63.200 -0.025 0.000 0.852 221 S HN 0.354 nan 8.310 nan 0.000 0.457 222 I N 1.021 121.582 120.570 -0.016 0.000 2.226 222 I HA -0.155 4.016 4.170 0.001 0.000 0.245 222 I C 2.196 178.313 176.117 0.001 0.000 1.100 222 I CA 0.947 62.240 61.300 -0.011 0.000 1.374 222 I CB -0.506 37.485 38.000 -0.014 0.000 1.057 222 I HN 0.165 nan 8.210 nan 0.000 0.413 223 V N 1.071 120.989 119.914 0.008 0.000 2.270 223 V HA -0.269 3.851 4.120 0.001 0.000 0.245 223 V C 2.732 178.840 176.094 0.023 0.000 1.043 223 V CA 2.019 64.334 62.300 0.025 0.000 1.014 223 V CB -1.009 30.834 31.823 0.034 0.000 0.645 223 V HN 0.491 nan 8.190 nan 0.000 0.447 224 A N 0.166 122.993 122.820 0.012 0.000 2.024 224 A HA -0.194 4.126 4.320 0.001 0.000 0.220 224 A C 1.758 179.345 177.584 0.005 0.000 1.164 224 A CA 1.921 53.962 52.037 0.007 0.000 0.643 224 A CB -0.469 18.529 19.000 -0.003 0.000 0.806 224 A HN 0.633 nan 8.150 nan 0.000 0.451 225 N N -0.264 118.436 118.700 0.001 0.000 2.238 225 N HA 0.142 4.883 4.740 0.001 0.000 0.222 225 N C 0.642 176.150 175.510 -0.002 0.000 1.133 225 N CA 0.610 53.659 53.050 -0.003 0.000 0.854 225 N CB 0.586 39.068 38.487 -0.008 0.000 1.041 225 N HN 0.404 nan 8.380 nan 0.000 0.510 226 G N 0.057 108.859 108.800 0.004 0.000 2.557 226 G HA2 0.409 4.370 3.960 0.001 0.000 0.292 226 G HA3 0.409 4.370 3.960 0.001 0.000 0.292 226 G C -0.288 174.607 174.900 -0.008 0.000 1.237 226 G CA -0.206 44.894 45.100 -0.000 0.000 0.978 226 G HN 0.062 nan 8.290 nan 0.000 0.498 227 Q N -1.571 118.214 119.800 -0.024 0.000 2.387 227 Q HA 0.518 4.858 4.340 0.001 0.000 0.273 227 Q C -0.980 174.969 176.000 -0.085 0.000 1.089 227 Q CA -0.949 54.826 55.803 -0.046 0.000 0.824 227 Q CB 2.846 31.557 28.738 -0.045 0.000 1.367 227 Q HN 0.490 nan 8.270 nan 0.000 0.443 228 V N -0.202 119.628 119.914 -0.139 0.000 2.349 228 V HA 0.420 4.541 4.120 0.001 0.000 0.284 228 V C -0.473 175.491 176.094 -0.216 0.000 1.014 228 V CA -0.982 61.161 62.300 -0.261 0.000 0.826 228 V CB 0.881 32.380 31.823 -0.539 0.000 1.009 228 V HN 0.846 nan 8.190 nan 0.000 0.431 229 N N 3.793 122.392 118.700 -0.168 0.000 2.725 229 N HA -0.163 4.578 4.740 0.001 0.000 0.251 229 N C 1.299 176.753 175.510 -0.093 0.000 1.031 229 N CA 2.056 55.032 53.050 -0.123 0.000 0.720 229 N CB -1.185 37.220 38.487 -0.136 0.000 0.930 229 N HN 1.903 nan 8.380 nan 0.000 0.543 230 G N -1.764 106.989 108.800 -0.078 0.000 2.241 230 G HA2 -0.363 3.597 3.960 0.001 0.000 0.244 230 G HA3 -0.363 3.597 3.960 0.001 0.000 0.244 230 G C 0.022 174.891 174.900 -0.052 0.000 0.998 230 G CA 0.568 45.634 45.100 -0.057 0.000 0.621 230 G HN 0.862 nan 8.290 nan 0.000 0.519 231 R N 0.207 120.669 120.500 -0.064 0.000 2.637 231 R HA 0.726 5.067 4.340 0.001 0.000 0.291 231 R C -3.150 173.126 176.300 -0.041 0.000 0.963 231 R CA -2.502 53.570 56.100 -0.046 0.000 0.901 231 R CB 0.606 30.882 30.300 -0.041 0.000 1.160 231 R HN 0.072 nan 8.270 nan 0.000 0.457 232 P HA -0.051 nan 4.420 nan 0.000 0.262 232 P C -0.278 177.027 177.300 0.008 0.000 1.182 232 P CA 0.039 63.134 63.100 -0.009 0.000 0.761 232 P CB 0.411 32.109 31.700 -0.005 0.000 0.795 233 I N 2.974 123.557 120.570 0.021 0.000 2.696 233 I HA 0.101 4.272 4.170 0.001 0.000 0.284 233 I C 0.761 176.910 176.117 0.053 0.000 1.129 233 I CA 0.007 61.346 61.300 0.066 0.000 1.410 233 I CB 0.851 38.904 38.000 0.087 0.000 1.399 233 I HN 0.384 nan 8.210 nan 0.000 0.579 234 T N 2.237 116.832 114.554 0.068 0.000 2.847 234 T HA 0.225 4.576 4.350 0.001 0.000 0.279 234 T C 1.018 175.726 174.700 0.013 0.000 0.984 234 T CA -0.476 61.645 62.100 0.034 0.000 0.988 234 T CB 1.525 70.413 68.868 0.032 0.000 1.040 234 T HN 0.653 nan 8.240 nan 0.000 0.528 235 S N 0.356 116.052 115.700 -0.007 0.000 2.368 235 S HA -0.125 4.346 4.470 0.001 0.000 0.225 235 S C 1.737 176.304 174.600 -0.055 0.000 1.030 235 S CA 1.361 59.546 58.200 -0.026 0.000 0.999 235 S CB -0.620 62.562 63.200 -0.029 0.000 0.844 235 S HN 0.931 nan 8.310 nan 0.000 0.459 236 D N 1.193 121.557 120.400 -0.060 0.000 2.097 236 D HA -0.137 4.504 4.640 0.001 0.000 0.195 236 D C 1.873 178.101 176.300 -0.120 0.000 0.989 236 D CA 1.328 55.264 54.000 -0.107 0.000 0.827 236 D CB -0.204 40.549 40.800 -0.078 0.000 0.966 236 D HN 0.470 nan 8.370 nan 0.000 0.456 237 E N -0.136 120.029 120.200 -0.058 0.000 2.077 237 E HA -0.107 4.244 4.350 0.001 0.000 0.193 237 E C 2.152 178.731 176.600 -0.035 0.000 0.989 237 E CA 1.026 57.394 56.400 -0.053 0.000 0.800 237 E CB -0.157 29.587 29.700 0.073 0.000 0.746 237 E HN 0.337 nan 8.360 nan 0.000 0.452 238 A N 1.694 124.509 122.820 -0.009 0.000 1.933 238 A HA -0.251 4.070 4.320 0.001 0.000 0.218 238 A C 2.064 179.629 177.584 -0.031 0.000 1.175 238 A CA 1.634 53.672 52.037 0.001 0.000 0.628 238 A CB -0.397 18.605 19.000 0.004 0.000 0.814 238 A HN 0.074 nan 8.150 nan 0.000 0.444 239 K N -0.296 120.045 120.400 -0.098 0.000 2.026 239 K HA -0.153 4.168 4.320 0.001 0.000 0.208 239 K C 2.182 178.684 176.600 -0.162 0.000 1.048 239 K CA 1.475 57.659 56.287 -0.171 0.000 0.929 239 K CB -0.192 32.095 32.500 -0.354 0.000 0.713 239 K HN 0.448 nan 8.250 nan 0.000 0.439 240 R N 0.008 120.398 120.500 -0.183 0.000 2.189 240 R HA -0.065 4.276 4.340 0.001 0.000 0.223 240 R C 2.309 178.678 176.300 0.115 0.000 1.092 240 R CA 1.415 57.542 56.100 0.045 0.000 0.989 240 R CB -0.138 30.147 30.300 -0.026 0.000 0.876 240 R HN 0.352 nan 8.270 nan 0.000 0.457 241 M N -0.493 119.118 119.600 0.019 0.000 2.325 241 M HA -0.076 4.405 4.480 0.001 0.000 0.265 241 M C 1.814 178.106 176.300 -0.015 0.000 1.094 241 M CA 1.307 56.614 55.300 0.011 0.000 1.161 241 M CB 0.139 32.764 32.600 0.043 0.000 1.358 241 M HN 0.187 nan 8.290 nan 0.000 0.446 242 C N 0.773 120.085 119.300 0.020 0.000 2.422 242 C HA -0.031 4.430 4.460 0.001 0.000 0.279 242 C C 2.736 177.729 174.990 0.005 0.000 1.305 242 C CA 1.027 60.073 59.018 0.047 0.000 1.757 242 C CB -1.852 25.935 27.740 0.078 0.000 1.962 242 C HN 0.811 nan 8.230 nan 0.000 0.499 243 G N 0.550 109.353 108.800 0.005 0.000 2.418 243 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 243 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 243 G C 1.519 175.964 174.900 -0.757 0.000 1.158 243 G CA 1.086 46.116 45.100 -0.118 0.000 0.771 243 G HN 0.482 nan 8.290 nan 0.000 0.545 244 L N 0.600 121.203 121.223 -1.033 0.000 2.046 244 L HA 0.088 4.428 4.340 0.001 0.000 0.208 244 L C 2.659 179.272 176.870 -0.428 0.000 1.077 244 L CA 1.395 55.638 54.840 -0.995 0.000 0.747 244 L CB -0.521 41.224 42.059 -0.523 0.000 0.896 244 L HN 0.216 nan 8.230 nan 0.000 0.432 245 L N -1.162 119.930 121.223 -0.217 0.000 2.079 245 L HA -0.249 4.092 4.340 0.001 0.000 0.210 245 L C 2.601 179.276 176.870 -0.326 0.000 1.081 245 L CA 1.316 56.112 54.840 -0.072 0.000 0.752 245 L CB -0.654 41.524 42.059 0.198 0.000 0.896 245 L HN 0.337 nan 8.230 nan 0.000 0.433 246 L N -0.874 120.204 121.223 -0.242 0.000 2.046 246 L HA -0.199 4.141 4.340 0.001 0.000 0.208 246 L C 2.527 179.116 176.870 -0.470 0.000 1.077 246 L CA 0.940 55.557 54.840 -0.372 0.000 0.747 246 L CB -0.402 41.600 42.059 -0.095 0.000 0.896 246 L HN 0.074 nan 8.230 nan 0.000 0.432 247 V N -0.109 119.597 119.914 -0.347 0.000 2.358 247 V HA -0.197 3.924 4.120 0.001 0.000 0.246 247 V C 2.599 178.561 176.094 -0.220 0.000 1.047 247 V CA 1.961 64.129 62.300 -0.219 0.000 1.035 247 V CB -1.249 30.515 31.823 -0.100 0.000 0.658 247 V HN 0.570 nan 8.190 nan 0.000 0.452 248 G N 0.010 108.656 108.800 -0.255 0.000 2.422 248 G HA2 -0.139 3.822 3.960 0.001 0.000 0.218 248 G HA3 -0.139 3.822 3.960 0.001 0.000 0.218 248 G C 1.578 176.292 174.900 -0.311 0.000 1.146 248 G CA 0.931 45.913 45.100 -0.197 0.000 0.769 248 G HN 0.593 nan 8.290 nan 0.000 0.547 249 G N 0.176 108.565 108.800 -0.685 0.000 2.430 249 G HA2 0.070 4.031 3.960 0.001 0.000 0.216 249 G HA3 0.070 4.031 3.960 0.001 0.000 0.216 249 G C 1.474 176.110 174.900 -0.440 0.000 1.146 249 G CA 0.478 45.086 45.100 -0.821 0.000 0.793 249 G HN 0.336 nan 8.290 nan 0.000 0.537 250 L N -0.360 120.633 121.223 -0.384 0.000 2.513 250 L HA 0.360 4.700 4.340 0.001 0.000 0.222 250 L C 0.716 177.517 176.870 -0.116 0.000 1.096 250 L CA 0.691 55.411 54.840 -0.199 0.000 0.857 250 L CB 0.660 42.611 42.059 -0.181 0.000 1.026 250 L HN 0.055 nan 8.230 nan 0.000 0.469 251 D N -2.024 118.316 120.400 -0.100 0.000 2.837 251 D HA 0.127 4.768 4.640 0.001 0.000 0.340 251 D C 1.068 177.370 176.300 0.002 0.000 1.451 251 D CA 0.772 54.751 54.000 -0.035 0.000 0.798 251 D CB 0.493 41.284 40.800 -0.015 0.000 1.169 251 D HN 0.239 nan 8.370 nan 0.000 0.449 252 T N -4.334 110.222 114.554 0.003 0.000 3.447 252 T HA 0.070 4.420 4.350 0.001 0.000 0.218 252 T C 1.820 176.583 174.700 0.106 0.000 0.972 252 T CA 0.511 62.640 62.100 0.048 0.000 1.264 252 T CB -0.524 68.364 68.868 0.033 0.000 1.284 252 T HN -0.163 nan 8.240 nan 0.000 0.361 253 V N 2.565 122.541 119.914 0.102 0.000 2.392 253 V HA -0.156 3.964 4.120 0.001 0.000 0.249 253 V C 2.938 179.144 176.094 0.188 0.000 1.059 253 V CA 1.684 64.094 62.300 0.184 0.000 1.051 253 V CB -1.063 30.840 31.823 0.135 0.000 0.658 253 V HN 0.443 nan 8.190 nan 0.000 0.455 254 V N 0.938 120.905 119.914 0.088 0.000 2.324 254 V HA -0.306 3.815 4.120 0.001 0.000 0.250 254 V C 2.273 178.397 176.094 0.050 0.000 1.060 254 V CA 2.421 64.749 62.300 0.047 0.000 1.042 254 V CB -0.800 31.018 31.823 -0.008 0.000 0.650 254 V HN 0.643 nan 8.190 nan 0.000 0.450 255 N N -0.780 117.958 118.700 0.065 0.000 2.207 255 N HA -0.076 4.665 4.740 0.001 0.000 0.182 255 N C 1.802 177.351 175.510 0.064 0.000 1.020 255 N CA 1.340 54.389 53.050 -0.000 0.000 0.858 255 N CB -0.346 38.174 38.487 0.056 0.000 0.991 255 N HN 0.539 nan 8.380 nan 0.000 0.427 256 F N 2.442 122.467 119.950 0.126 0.000 2.126 256 F HA -0.072 4.455 4.527 0.001 0.000 0.299 256 F C 2.151 178.045 175.800 0.157 0.000 1.096 256 F CA 0.986 59.115 58.000 0.215 0.000 1.255 256 F CB -0.156 38.926 39.000 0.137 0.000 0.997 256 F HN -0.096 nan 8.300 nan 0.000 0.479 257 L N -0.614 120.675 121.223 0.109 0.000 2.079 257 L HA -0.275 4.066 4.340 0.001 0.000 0.210 257 L C 2.517 179.401 176.870 0.023 0.000 1.081 257 L CA 1.536 56.434 54.840 0.097 0.000 0.752 257 L CB -0.938 41.341 42.059 0.368 0.000 0.896 257 L HN 0.106 nan 8.230 nan 0.000 0.433 258 S N -0.670 115.046 115.700 0.026 0.000 2.383 258 S HA -0.091 4.380 4.470 0.001 0.000 0.227 258 S C 1.746 176.142 174.600 -0.341 0.000 1.026 258 S CA 1.048 59.205 58.200 -0.072 0.000 0.981 258 S CB -0.251 62.879 63.200 -0.117 0.000 0.818 258 S HN 0.213 nan 8.310 nan 0.000 0.472 259 F N 2.194 121.926 119.950 -0.364 0.000 2.134 259 F HA -0.071 4.457 4.527 0.001 0.000 0.299 259 F C 2.749 178.014 175.800 -0.892 0.000 1.097 259 F CA 0.858 58.502 58.000 -0.594 0.000 1.264 259 F CB -0.983 37.678 39.000 -0.565 0.000 1.001 259 F HN 0.095 nan 8.300 nan 0.000 0.479 260 S N -0.334 114.966 115.700 -0.667 0.000 2.356 260 S HA -0.228 4.242 4.470 0.001 0.000 0.223 260 S C 1.989 176.374 174.600 -0.359 0.000 1.032 260 S CA 1.386 59.237 58.200 -0.581 0.000 1.005 260 S CB -0.410 62.461 63.200 -0.550 0.000 0.867 260 S HN 0.223 nan 8.310 nan 0.000 0.449 261 M N 1.635 120.951 119.600 -0.473 0.000 2.296 261 M HA 0.023 4.504 4.480 0.001 0.000 0.265 261 M C 1.899 177.977 176.300 -0.370 0.000 1.064 261 M CA 1.131 56.073 55.300 -0.596 0.000 1.109 261 M CB -0.393 31.378 32.600 -1.382 0.000 1.396 261 M HN 0.351 nan 8.290 nan 0.000 0.430 262 E N -1.016 119.001 120.200 -0.306 0.000 2.072 262 E HA -0.236 4.115 4.350 0.001 0.000 0.191 262 E C 1.967 178.502 176.600 -0.108 0.000 0.985 262 E CA 1.259 57.568 56.400 -0.152 0.000 0.801 262 E CB -0.331 29.330 29.700 -0.065 0.000 0.750 262 E HN 0.531 nan 8.360 nan 0.000 0.452 263 F N 1.349 121.123 119.950 -0.294 0.000 2.134 263 F HA -0.142 4.385 4.527 0.001 0.000 0.299 263 F C 1.915 177.626 175.800 -0.147 0.000 1.097 263 F CA 1.269 59.142 58.000 -0.212 0.000 1.264 263 F CB -0.081 38.731 39.000 -0.315 0.000 1.001 263 F HN -0.008 nan 8.300 nan 0.000 0.479 264 L N 0.082 121.157 121.223 -0.248 0.000 2.141 264 L HA -0.141 4.200 4.340 0.001 0.000 0.209 264 L C 2.788 179.406 176.870 -0.420 0.000 1.094 264 L CA 0.995 55.654 54.840 -0.303 0.000 0.763 264 L CB -1.130 40.916 42.059 -0.022 0.000 0.908 264 L HN 0.283 nan 8.230 nan 0.000 0.437 265 A N 0.008 122.675 122.820 -0.255 0.000 2.015 265 A HA -0.158 4.162 4.320 0.001 0.000 0.219 265 A C 2.131 179.559 177.584 -0.261 0.000 1.163 265 A CA 1.311 53.188 52.037 -0.266 0.000 0.646 265 A CB -0.189 18.853 19.000 0.070 0.000 0.806 265 A HN 0.339 nan 8.150 nan 0.000 0.448 266 K N -0.805 119.435 120.400 -0.266 0.000 2.374 266 K HA 0.148 4.468 4.320 0.001 0.000 0.196 266 K C 0.170 176.598 176.600 -0.286 0.000 1.023 266 K CA 0.390 56.547 56.287 -0.217 0.000 1.103 266 K CB 0.410 32.824 32.500 -0.142 0.000 0.848 266 K HN 0.223 nan 8.250 nan 0.000 0.528 267 S N 1.708 117.154 115.700 -0.423 0.000 2.259 267 S HA 0.219 4.690 4.470 0.001 0.000 0.181 267 S C -2.061 172.397 174.600 -0.237 0.000 1.589 267 S CA -1.679 56.308 58.200 -0.355 0.000 1.234 267 S CB 0.707 63.523 63.200 -0.641 0.000 1.119 267 S HN -0.061 nan 8.310 nan 0.000 0.458 268 P HA -0.153 nan 4.420 nan 0.000 0.218 268 P C 0.978 178.228 177.300 -0.083 0.000 1.148 268 P CA 1.144 64.153 63.100 -0.152 0.000 0.822 268 P CB 0.256 31.882 31.700 -0.123 0.000 0.784 269 E N -0.726 119.435 120.200 -0.065 0.000 2.077 269 E HA -0.209 4.141 4.350 0.001 0.000 0.193 269 E C 2.107 178.658 176.600 -0.082 0.000 0.989 269 E CA 1.169 57.521 56.400 -0.080 0.000 0.800 269 E CB -0.591 29.040 29.700 -0.116 0.000 0.746 269 E HN 0.491 nan 8.360 nan 0.000 0.452 270 H N 0.182 119.234 119.070 -0.031 0.000 2.395 270 H HA 0.043 4.600 4.556 0.001 0.000 0.299 270 H C 2.147 177.602 175.328 0.211 0.000 1.070 270 H CA 1.125 57.246 56.048 0.122 0.000 1.356 270 H CB 0.132 29.961 29.762 0.112 0.000 1.401 270 H HN 0.007 nan 8.280 nan 0.000 0.524 271 R N 0.353 120.948 120.500 0.157 0.000 2.073 271 R HA -0.161 4.180 4.340 0.001 0.000 0.234 271 R C 2.243 178.590 176.300 0.078 0.000 1.134 271 R CA 1.318 57.468 56.100 0.083 0.000 0.952 271 R CB -0.249 30.000 30.300 -0.085 0.000 0.850 271 R HN 0.387 nan 8.270 nan 0.000 0.433 272 Q N 1.346 121.167 119.800 0.037 0.000 2.181 272 Q HA -0.216 4.125 4.340 0.001 0.000 0.205 272 Q C 1.776 177.809 176.000 0.055 0.000 0.980 272 Q CA 1.575 57.395 55.803 0.028 0.000 0.862 272 Q CB 0.051 28.788 28.738 -0.002 0.000 0.905 272 Q HN 0.437 nan 8.270 nan 0.000 0.429 273 E N -0.172 120.084 120.200 0.093 0.000 2.072 273 E HA -0.140 4.211 4.350 0.001 0.000 0.191 273 E C 2.179 178.852 176.600 0.122 0.000 0.985 273 E CA 0.831 57.304 56.400 0.122 0.000 0.801 273 E CB -0.002 29.822 29.700 0.207 0.000 0.750 273 E HN 0.398 nan 8.360 nan 0.000 0.452 274 L N 0.479 121.782 121.223 0.133 0.000 2.240 274 L HA -0.078 4.263 4.340 0.001 0.000 0.211 274 L C 2.384 179.285 176.870 0.051 0.000 1.106 274 L CA 0.396 55.274 54.840 0.063 0.000 0.793 274 L CB -0.219 41.861 42.059 0.036 0.000 0.927 274 L HN 0.207 nan 8.230 nan 0.000 0.446 275 I N -0.108 120.498 120.570 0.059 0.000 2.163 275 I HA -0.240 3.930 4.170 0.001 0.000 0.240 275 I C 2.477 178.615 176.117 0.035 0.000 1.081 275 I CA 1.343 62.670 61.300 0.044 0.000 1.353 275 I CB -0.195 37.829 38.000 0.039 0.000 1.054 275 I HN 0.239 nan 8.210 nan 0.000 0.407 276 E N 0.713 120.934 120.200 0.036 0.000 2.051 276 E HA -0.116 4.235 4.350 0.001 0.000 0.192 276 E C 0.610 177.229 176.600 0.031 0.000 0.991 276 E CA 0.920 57.339 56.400 0.030 0.000 0.799 276 E CB 0.140 29.858 29.700 0.030 0.000 0.748 276 E HN 0.376 nan 8.360 nan 0.000 0.449 277 R N 0.804 121.327 120.500 0.039 0.000 2.587 277 R HA 0.152 4.493 4.340 0.001 0.000 0.283 277 R C -2.127 174.190 176.300 0.028 0.000 1.472 277 R CA -1.193 54.928 56.100 0.035 0.000 1.578 277 R CB 1.064 31.390 30.300 0.043 0.000 1.130 277 R HN 0.102 nan 8.270 nan 0.000 0.602 278 P HA -0.221 nan 4.420 nan 0.000 0.221 278 P C 0.893 178.198 177.300 0.009 0.000 1.145 278 P CA 1.223 64.332 63.100 0.014 0.000 0.795 278 P CB 0.367 32.078 31.700 0.019 0.000 0.775 279 E N 1.079 121.288 120.200 0.015 0.000 2.409 279 E HA -0.162 4.189 4.350 0.001 0.000 0.198 279 E C 1.506 178.112 176.600 0.010 0.000 1.024 279 E CA 0.707 57.117 56.400 0.016 0.000 0.861 279 E CB -0.645 29.068 29.700 0.021 0.000 0.788 279 E HN 0.329 nan 8.360 nan 0.000 0.521 280 R N 0.182 120.682 120.500 0.001 0.000 2.317 280 R HA 0.288 4.629 4.340 0.001 0.000 0.208 280 R C 2.268 178.517 176.300 -0.085 0.000 0.914 280 R CA 0.014 56.105 56.100 -0.015 0.000 1.060 280 R CB -0.075 30.232 30.300 0.011 0.000 1.015 280 R HN 0.187 nan 8.270 nan 0.000 0.498 281 I N 1.616 122.141 120.570 -0.076 0.000 2.163 281 I HA -0.225 3.946 4.170 0.001 0.000 0.243 281 I C -0.787 175.291 176.117 -0.065 0.000 1.085 281 I CA 1.560 62.799 61.300 -0.101 0.000 1.347 281 I CB -0.959 37.020 38.000 -0.035 0.000 1.044 281 I HN 0.040 nan 8.210 nan 0.000 0.408 282 P HA -0.156 nan 4.420 nan 0.000 0.216 282 P C 1.472 178.787 177.300 0.025 0.000 1.153 282 P CA 1.761 64.876 63.100 0.025 0.000 0.848 282 P CB -0.002 31.720 31.700 0.038 0.000 0.787 283 A N -0.097 122.728 122.820 0.009 0.000 1.930 283 A HA -0.073 4.248 4.320 0.001 0.000 0.217 283 A C 2.293 179.889 177.584 0.021 0.000 1.175 283 A CA 1.906 53.966 52.037 0.038 0.000 0.627 283 A CB -1.574 17.460 19.000 0.056 0.000 0.815 283 A HN 0.178 nan 8.150 nan 0.000 0.443 284 A N -0.930 121.797 122.820 -0.155 0.000 1.902 284 A HA -0.213 4.107 4.320 0.001 0.000 0.217 284 A C 2.391 179.934 177.584 -0.069 0.000 1.181 284 A CA 1.674 53.459 52.037 -0.420 0.000 0.623 284 A CB -1.466 16.824 19.000 -1.184 0.000 0.818 284 A HN 0.858 nan 8.150 nan 0.000 0.443 285 C N -0.585 118.708 119.300 -0.012 0.000 2.413 285 C HA -0.148 4.313 4.460 0.001 0.000 0.276 285 C C 2.596 177.670 174.990 0.141 0.000 1.236 285 C CA 1.919 61.008 59.018 0.117 0.000 1.735 285 C CB -1.053 26.758 27.740 0.118 0.000 2.031 285 C HN 0.692 nan 8.230 nan 0.000 0.474 286 E N 0.591 120.858 120.200 0.111 0.000 2.072 286 E HA -0.182 4.168 4.350 0.001 0.000 0.191 286 E C 2.052 178.702 176.600 0.083 0.000 0.985 286 E CA 1.809 58.273 56.400 0.108 0.000 0.801 286 E CB -0.373 29.416 29.700 0.148 0.000 0.750 286 E HN 0.771 nan 8.360 nan 0.000 0.452 287 E N 0.015 120.293 120.200 0.130 0.000 2.110 287 E HA -0.121 4.230 4.350 0.001 0.000 0.193 287 E C 1.895 178.539 176.600 0.074 0.000 0.988 287 E CA 1.130 57.601 56.400 0.117 0.000 0.804 287 E CB -0.301 29.542 29.700 0.237 0.000 0.745 287 E HN 0.348 nan 8.360 nan 0.000 0.458 288 L N -0.058 121.285 121.223 0.199 0.000 2.141 288 L HA -0.094 4.247 4.340 0.001 0.000 0.209 288 L C 2.445 179.558 176.870 0.405 0.000 1.094 288 L CA 0.692 55.717 54.840 0.309 0.000 0.763 288 L CB -0.335 41.960 42.059 0.393 0.000 0.908 288 L HN 0.218 nan 8.230 nan 0.000 0.437 289 L N -0.486 120.853 121.223 0.193 0.000 2.201 289 L HA -0.192 4.149 4.340 0.001 0.000 0.212 289 L C 2.822 179.450 176.870 -0.402 0.000 1.105 289 L CA 1.006 55.679 54.840 -0.278 0.000 0.775 289 L CB -0.389 41.316 42.059 -0.590 0.000 0.913 289 L HN 0.280 nan 8.230 nan 0.000 0.440 290 R N 0.254 120.569 120.500 -0.307 0.000 2.052 290 R HA -0.161 4.180 4.340 0.001 0.000 0.226 290 R C 2.471 178.600 176.300 -0.285 0.000 1.145 290 R CA 1.126 57.053 56.100 -0.288 0.000 0.952 290 R CB -0.096 30.136 30.300 -0.114 0.000 0.847 290 R HN 0.041 nan 8.270 nan 0.000 0.431 291 R N 0.157 120.447 120.500 -0.349 0.000 2.096 291 R HA -0.088 4.252 4.340 0.001 0.000 0.235 291 R C 0.650 176.442 176.300 -0.847 0.000 1.127 291 R CA 1.667 57.376 56.100 -0.652 0.000 0.968 291 R CB -0.331 29.397 30.300 -0.952 0.000 0.861 291 R HN 0.280 nan 8.270 nan 0.000 0.440 292 F N 0.390 120.227 119.950 -0.187 0.000 2.925 292 F HA 0.389 4.917 4.527 0.001 0.000 0.302 292 F C 0.419 176.084 175.800 -0.225 0.000 1.189 292 F CA -0.555 57.281 58.000 -0.274 0.000 1.346 292 F CB 0.310 39.161 39.000 -0.248 0.000 0.954 292 F HN -0.109 nan 8.300 nan 0.000 0.506 293 S N 1.771 117.348 115.700 -0.205 0.000 2.563 293 S HA 0.227 4.697 4.470 0.001 0.000 0.284 293 S C 0.827 175.238 174.600 -0.315 0.000 1.331 293 S CA -0.107 57.925 58.200 -0.279 0.000 1.047 293 S CB 0.493 63.499 63.200 -0.322 0.000 0.859 293 S HN 0.573 nan 8.310 nan 0.000 0.514 294 L N 2.078 123.138 121.223 -0.273 0.000 3.520 294 L HA 0.578 4.919 4.340 0.001 0.000 0.323 294 L C -0.915 175.800 176.870 -0.258 0.000 1.246 294 L CA -0.565 54.119 54.840 -0.259 0.000 1.085 294 L CB 0.198 42.248 42.059 -0.015 0.000 1.477 294 L HN 0.320 nan 8.230 nan 0.000 0.624 295 V N 1.671 121.419 119.914 -0.277 0.000 2.630 295 V HA 0.870 4.991 4.120 0.001 0.000 0.305 295 V C 0.213 176.127 176.094 -0.299 0.000 1.046 295 V CA 0.032 62.192 62.300 -0.234 0.000 0.934 295 V CB 1.587 33.320 31.823 -0.151 0.000 1.003 295 V HN 0.341 nan 8.190 nan 0.000 0.451 296 A N 3.073 125.738 122.820 -0.257 0.000 2.741 296 A HA 0.644 4.965 4.320 0.001 0.000 0.298 296 A C -0.795 176.711 177.584 -0.130 0.000 1.153 296 A CA -0.643 51.273 52.037 -0.200 0.000 0.816 296 A CB 0.537 19.326 19.000 -0.351 0.000 1.396 296 A HN 0.843 nan 8.150 nan 0.000 0.407 297 D N 1.185 121.551 120.400 -0.056 0.000 2.668 297 D HA 0.871 5.512 4.640 0.001 0.000 0.249 297 D C 0.549 176.880 176.300 0.052 0.000 1.150 297 D CA 0.057 54.015 54.000 -0.070 0.000 1.090 297 D CB 1.082 41.869 40.800 -0.022 0.000 1.244 297 D HN 0.917 nan 8.370 nan 0.000 0.636 298 G N -1.821 107.018 108.800 0.066 0.000 2.588 298 G HA2 0.538 4.498 3.960 0.001 0.000 0.281 298 G HA3 0.538 4.498 3.960 0.001 0.000 0.281 298 G C -1.098 173.826 174.900 0.040 0.000 1.223 298 G CA -0.735 44.386 45.100 0.035 0.000 0.871 298 G HN 0.447 nan 8.290 nan 0.000 0.492 299 R N -1.213 119.298 120.500 0.018 0.000 2.869 299 R HA 0.671 5.012 4.340 0.001 0.000 0.263 299 R C -1.382 174.995 176.300 0.129 0.000 1.066 299 R CA -0.768 55.381 56.100 0.081 0.000 0.960 299 R CB 1.697 32.076 30.300 0.132 0.000 1.221 299 R HN 0.598 nan 8.270 nan 0.000 0.474 300 I N 1.258 121.914 120.570 0.144 0.000 2.545 300 I HA 0.272 4.443 4.170 0.001 0.000 0.292 300 I C -0.716 175.486 176.117 0.142 0.000 1.040 300 I CA -1.048 60.342 61.300 0.149 0.000 1.068 300 I CB 1.394 39.452 38.000 0.097 0.000 1.251 300 I HN 0.216 nan 8.210 nan 0.000 0.424 301 L N 6.494 127.806 121.223 0.148 0.000 2.410 301 L HA 0.113 4.454 4.340 0.001 0.000 0.273 301 L C 1.599 178.481 176.870 0.021 0.000 1.144 301 L CA 0.478 55.344 54.840 0.044 0.000 0.863 301 L CB 1.019 43.131 42.059 0.090 0.000 1.140 301 L HN 0.814 nan 8.230 nan 0.000 0.463 302 T N -1.431 113.100 114.554 -0.039 0.000 3.043 302 T HA 0.043 4.394 4.350 0.001 0.000 0.263 302 T C 0.766 175.458 174.700 -0.015 0.000 1.094 302 T CA 0.530 62.615 62.100 -0.026 0.000 1.127 302 T CB 0.159 68.988 68.868 -0.065 0.000 0.905 302 T HN 0.640 nan 8.240 nan 0.000 0.490 303 S N -0.269 115.428 115.700 -0.005 0.000 2.636 303 S HA 0.459 4.929 4.470 0.001 0.000 0.268 303 S C -2.098 172.529 174.600 0.045 0.000 1.159 303 S CA -1.198 57.014 58.200 0.020 0.000 0.815 303 S CB 1.025 64.236 63.200 0.018 0.000 1.130 303 S HN 0.076 nan 8.310 nan 0.000 0.471 304 D N 1.147 121.576 120.400 0.049 0.000 2.424 304 D HA 0.456 5.097 4.640 0.001 0.000 0.244 304 D C -0.887 175.485 176.300 0.121 0.000 1.134 304 D CA 0.902 54.938 54.000 0.059 0.000 0.881 304 D CB 0.219 41.037 40.800 0.031 0.000 1.191 304 D HN 0.540 nan 8.370 nan 0.000 0.445 305 Y N 0.436 120.678 120.300 -0.097 0.000 2.436 305 Y HA 0.162 4.713 4.550 0.001 0.000 0.327 305 Y C -1.103 174.729 175.900 -0.113 0.000 1.138 305 Y CA -1.011 56.978 58.100 -0.185 0.000 1.042 305 Y CB 1.319 39.514 38.460 -0.441 0.000 1.302 305 Y HN 0.315 nan 8.280 nan 0.000 0.439 306 E N 6.088 126.019 120.200 -0.449 0.000 2.152 306 E HA 0.307 4.658 4.350 0.001 0.000 0.285 306 E C -1.879 174.302 176.600 -0.699 0.000 1.043 306 E CA -0.393 55.758 56.400 -0.415 0.000 0.839 306 E CB 0.510 30.072 29.700 -0.230 0.000 1.069 306 E HN 0.461 nan 8.360 nan 0.000 0.399 307 F N 4.485 124.063 119.950 -0.620 0.000 2.477 307 F HA 0.247 4.774 4.527 0.001 0.000 0.335 307 F C -0.628 175.098 175.800 -0.122 0.000 1.130 307 F CA -0.732 57.017 58.000 -0.418 0.000 0.948 307 F CB 0.582 39.461 39.000 -0.202 0.000 1.154 307 F HN 0.668 nan 8.300 nan 0.000 0.439 308 H N 3.667 122.377 119.070 -0.600 0.000 2.604 308 H HA -0.100 4.456 4.556 0.001 0.000 0.321 308 H C 1.338 176.501 175.328 -0.276 0.000 1.132 308 H CA 0.989 56.748 56.048 -0.482 0.000 1.129 308 H CB -1.090 28.290 29.762 -0.636 0.000 1.526 308 H HN 1.143 nan 8.280 nan 0.000 0.415 309 G N -1.693 107.001 108.800 -0.177 0.000 2.175 309 G HA2 -0.279 3.682 3.960 0.001 0.000 0.265 309 G HA3 -0.279 3.682 3.960 0.001 0.000 0.265 309 G C 0.175 175.031 174.900 -0.074 0.000 0.979 309 G CA 0.356 45.392 45.100 -0.107 0.000 0.663 309 G HN 0.633 nan 8.290 nan 0.000 0.533 310 V N 1.296 121.145 119.914 -0.109 0.000 2.448 310 V HA 0.440 4.561 4.120 0.001 0.000 0.295 310 V C 0.072 176.084 176.094 -0.137 0.000 1.025 310 V CA -1.089 61.139 62.300 -0.120 0.000 0.859 310 V CB 1.889 33.567 31.823 -0.241 0.000 0.988 310 V HN 0.269 nan 8.190 nan 0.000 0.431 311 Q N 4.946 124.725 119.800 -0.035 0.000 2.324 311 Q HA 0.391 4.731 4.340 0.001 0.000 0.257 311 Q C -0.681 175.387 176.000 0.113 0.000 1.080 311 Q CA 0.175 55.993 55.803 0.026 0.000 0.907 311 Q CB 0.979 29.775 28.738 0.097 0.000 1.274 311 Q HN 0.575 nan 8.270 nan 0.000 0.434 312 L N 2.200 123.436 121.223 0.022 0.000 2.307 312 L HA 0.434 4.774 4.340 0.001 0.000 0.282 312 L C 0.303 177.275 176.870 0.171 0.000 1.051 312 L CA -0.795 54.123 54.840 0.129 0.000 0.804 312 L CB 0.843 42.885 42.059 -0.027 0.000 1.197 312 L HN 0.186 nan 8.230 nan 0.000 0.431 313 K N 2.058 122.595 120.400 0.229 0.000 2.156 313 K HA 0.277 4.598 4.320 0.001 0.000 0.254 313 K C -0.502 176.149 176.600 0.085 0.000 0.950 313 K CA -0.707 55.586 56.287 0.010 0.000 0.849 313 K CB 1.376 33.647 32.500 -0.382 0.000 1.100 313 K HN 0.300 nan 8.250 nan 0.000 0.434 314 K N 0.913 121.335 120.400 0.037 0.000 2.511 314 K HA 0.039 4.360 4.320 0.001 0.000 0.280 314 K C 0.593 177.240 176.600 0.079 0.000 1.008 314 K CA 1.582 57.900 56.287 0.051 0.000 1.050 314 K CB -0.105 32.410 32.500 0.025 0.000 0.889 314 K HN 0.729 nan 8.250 nan 0.000 0.484 315 G N 3.048 111.910 108.800 0.103 0.000 2.268 315 G HA2 -0.228 3.733 3.960 0.001 0.000 0.240 315 G HA3 -0.228 3.733 3.960 0.001 0.000 0.240 315 G C -0.308 174.710 174.900 0.197 0.000 1.010 315 G CA 0.174 45.348 45.100 0.123 0.000 0.618 315 G HN 0.730 nan 8.290 nan 0.000 0.516 316 D N 1.679 122.248 120.400 0.283 0.000 2.443 316 D HA 0.410 5.050 4.640 0.001 0.000 0.239 316 D C 0.849 177.388 176.300 0.399 0.000 1.136 316 D CA 0.572 54.844 54.000 0.453 0.000 0.879 316 D CB 0.531 41.778 40.800 0.744 0.000 1.195 316 D HN 0.516 nan 8.370 nan 0.000 0.443 317 Q N 0.886 120.904 119.800 0.364 0.000 2.222 317 Q HA 0.608 4.949 4.340 0.001 0.000 0.252 317 Q C -0.391 175.819 176.000 0.350 0.000 0.926 317 Q CA -0.630 55.327 55.803 0.256 0.000 0.899 317 Q CB 2.481 31.290 28.738 0.118 0.000 1.250 317 Q HN 0.464 nan 8.270 nan 0.000 0.441 318 I N 2.768 123.496 120.570 0.264 0.000 2.478 318 I HA 0.252 4.422 4.170 0.001 0.000 0.287 318 I C -1.631 174.534 176.117 0.081 0.000 1.042 318 I CA -1.066 60.394 61.300 0.268 0.000 1.067 318 I CB 1.195 39.334 38.000 0.232 0.000 1.233 318 I HN 0.494 nan 8.210 nan 0.000 0.431 319 L N 8.377 129.661 121.223 0.101 0.000 2.331 319 L HA 0.435 4.776 4.340 0.001 0.000 0.278 319 L C -1.155 175.716 176.870 0.001 0.000 1.106 319 L CA 0.245 55.099 54.840 0.023 0.000 0.824 319 L CB 0.861 42.961 42.059 0.069 0.000 1.142 319 L HN 0.547 nan 8.230 nan 0.000 0.443 320 L N 7.461 128.652 121.223 -0.054 0.000 2.457 320 L HA 0.386 4.727 4.340 0.001 0.000 0.252 320 L C -2.199 174.715 176.870 0.073 0.000 1.132 320 L CA -1.687 53.077 54.840 -0.128 0.000 0.938 320 L CB 0.998 42.696 42.059 -0.602 0.000 1.246 320 L HN 0.492 nan 8.230 nan 0.000 0.476 321 P HA 0.026 nan 4.420 nan 0.000 0.258 321 P C 0.287 177.575 177.300 -0.020 0.000 1.214 321 P CA 0.092 63.201 63.100 0.014 0.000 0.872 321 P CB 0.720 32.462 31.700 0.071 0.000 0.890 322 Q N 2.560 122.348 119.800 -0.019 0.000 2.197 322 Q HA -0.209 4.132 4.340 0.001 0.000 0.207 322 Q C 1.910 177.828 176.000 -0.136 0.000 0.984 322 Q CA 1.665 57.439 55.803 -0.049 0.000 0.869 322 Q CB -0.554 28.122 28.738 -0.104 0.000 0.906 322 Q HN 0.510 nan 8.270 nan 0.000 0.426 323 M N -0.303 119.151 119.600 -0.243 0.000 2.108 323 M HA -0.211 4.269 4.480 0.001 0.000 0.261 323 M C 1.512 177.683 176.300 -0.215 0.000 1.066 323 M CA 1.555 56.671 55.300 -0.307 0.000 1.107 323 M CB -0.046 32.241 32.600 -0.520 0.000 1.356 323 M HN 0.298 nan 8.290 nan 0.000 0.406 324 L N -0.589 120.542 121.223 -0.152 0.000 2.141 324 L HA -0.162 4.179 4.340 0.001 0.000 0.209 324 L C 2.418 179.239 176.870 -0.082 0.000 1.094 324 L CA 0.803 55.588 54.840 -0.092 0.000 0.763 324 L CB -0.615 41.416 42.059 -0.047 0.000 0.908 324 L HN 0.330 nan 8.230 nan 0.000 0.437 325 S N 0.446 116.103 115.700 -0.071 0.000 2.359 325 S HA -0.194 4.277 4.470 0.001 0.000 0.223 325 S C 1.965 176.533 174.600 -0.055 0.000 1.039 325 S CA 1.605 59.768 58.200 -0.061 0.000 1.042 325 S CB -0.728 62.442 63.200 -0.051 0.000 0.915 325 S HN 0.614 nan 8.310 nan 0.000 0.439 326 G N 0.614 109.386 108.800 -0.047 0.000 2.534 326 G HA2 0.017 3.978 3.960 0.001 0.000 0.217 326 G HA3 0.017 3.978 3.960 0.001 0.000 0.217 326 G C 1.115 175.968 174.900 -0.079 0.000 1.128 326 G CA 0.229 45.307 45.100 -0.036 0.000 0.784 326 G HN 0.451 nan 8.290 nan 0.000 0.542 327 L N 0.150 121.313 121.223 -0.099 0.000 2.567 327 L HA 0.176 4.517 4.340 0.001 0.000 0.225 327 L C 0.533 177.357 176.870 -0.077 0.000 1.119 327 L CA -0.301 54.476 54.840 -0.105 0.000 0.871 327 L CB 0.100 42.090 42.059 -0.115 0.000 1.036 327 L HN 0.023 nan 8.230 nan 0.000 0.459 328 D N 1.564 121.922 120.400 -0.069 0.000 2.371 328 D HA -0.062 4.578 4.640 0.001 0.000 0.256 328 D C 1.270 177.539 176.300 -0.051 0.000 1.193 328 D CA 0.025 53.988 54.000 -0.062 0.000 0.881 328 D CB 1.111 41.872 40.800 -0.064 0.000 1.143 328 D HN 0.360 nan 8.370 nan 0.000 0.473 329 E N 3.219 123.391 120.200 -0.046 0.000 2.333 329 E HA -0.192 4.159 4.350 0.001 0.000 0.198 329 E C 1.066 177.647 176.600 -0.032 0.000 1.007 329 E CA 0.697 57.075 56.400 -0.036 0.000 0.845 329 E CB -0.035 29.645 29.700 -0.033 0.000 0.766 329 E HN 0.418 nan 8.360 nan 0.000 0.507 330 R N 0.344 120.822 120.500 -0.038 0.000 2.313 330 R HA 0.080 4.421 4.340 0.001 0.000 0.199 330 R C 1.366 177.647 176.300 -0.031 0.000 0.958 330 R CA 0.669 56.749 56.100 -0.034 0.000 1.047 330 R CB 0.165 30.442 30.300 -0.040 0.000 0.955 330 R HN 0.329 nan 8.270 nan 0.000 0.481 331 E N -0.519 119.661 120.200 -0.033 0.000 2.391 331 E HA 0.143 4.494 4.350 0.001 0.000 0.206 331 E C -0.287 176.301 176.600 -0.020 0.000 0.851 331 E CA 0.133 56.515 56.400 -0.029 0.000 1.059 331 E CB 0.746 30.424 29.700 -0.037 0.000 1.065 331 E HN 0.153 nan 8.360 nan 0.000 0.512 332 N N 0.617 119.303 118.700 -0.022 0.000 2.478 332 N HA 0.280 5.020 4.740 0.001 0.000 0.291 332 N C -1.135 174.367 175.510 -0.013 0.000 1.090 332 N CA -0.167 52.875 53.050 -0.014 0.000 0.911 332 N CB 2.080 40.556 38.487 -0.019 0.000 1.546 332 N HN -0.019 nan 8.380 nan 0.000 0.500 333 A N 1.447 124.265 122.820 -0.003 0.000 2.445 333 A HA 0.516 4.836 4.320 0.001 0.000 0.242 333 A C 1.020 178.608 177.584 0.007 0.000 1.075 333 A CA 0.508 52.544 52.037 -0.002 0.000 0.777 333 A CB -0.104 18.896 19.000 0.001 0.000 1.013 333 A HN 1.267 nan 8.150 nan 0.000 0.493 334 A N 2.613 125.433 122.820 0.000 0.000 2.466 334 A HA -0.103 4.217 4.320 0.001 0.000 0.295 334 A C -0.457 177.141 177.584 0.024 0.000 1.465 334 A CA 0.674 52.719 52.037 0.013 0.000 0.744 334 A CB -1.577 17.432 19.000 0.016 0.000 1.098 334 A HN 0.810 nan 8.150 nan 0.000 0.402 335 P HA -0.218 nan 4.420 nan 0.000 0.216 335 P C 1.297 178.543 177.300 -0.089 0.000 1.150 335 P CA 1.485 64.554 63.100 -0.052 0.000 0.843 335 P CB -0.092 31.572 31.700 -0.061 0.000 0.787 336 M N -1.542 118.022 119.600 -0.060 0.000 2.619 336 M HA 0.015 4.496 4.480 0.001 0.000 0.251 336 M C 0.838 177.098 176.300 -0.066 0.000 1.106 336 M CA 0.384 55.630 55.300 -0.090 0.000 1.086 336 M CB -1.854 30.724 32.600 -0.038 0.000 1.465 336 M HN 0.059 nan 8.290 nan 0.000 0.506 337 H N 0.264 119.268 119.070 -0.111 0.000 2.580 337 H HA 0.376 4.933 4.556 0.001 0.000 0.322 337 H C -0.990 174.255 175.328 -0.139 0.000 1.082 337 H CA -0.387 55.612 56.048 -0.082 0.000 1.383 337 H CB 0.875 30.616 29.762 -0.035 0.000 1.450 337 H HN -0.179 nan 8.280 nan 0.000 0.505 338 V N 5.941 125.427 119.914 -0.714 0.000 2.368 338 V HA 0.119 4.240 4.120 0.001 0.000 0.266 338 V C -0.099 175.535 176.094 -0.767 0.000 1.045 338 V CA -0.235 61.641 62.300 -0.707 0.000 0.899 338 V CB 0.706 31.983 31.823 -0.910 0.000 1.006 338 V HN 0.817 nan 8.190 nan 0.000 0.470 339 D N 4.432 124.559 120.400 -0.456 0.000 2.440 339 D HA 0.328 4.969 4.640 0.001 0.000 0.252 339 D C 0.525 176.832 176.300 0.010 0.000 1.180 339 D CA -0.580 53.290 54.000 -0.216 0.000 0.894 339 D CB 0.914 41.707 40.800 -0.012 0.000 1.111 339 D HN 0.230 nan 8.370 nan 0.000 0.544 340 F N 1.294 121.291 119.950 0.080 0.000 2.373 340 F HA -0.054 4.474 4.527 0.002 0.000 0.300 340 F C 2.196 178.033 175.800 0.063 0.000 1.080 340 F CA 0.533 58.582 58.000 0.082 0.000 1.417 340 F CB -0.478 38.593 39.000 0.118 0.000 1.070 340 F HN 0.282 nan 8.300 nan 0.000 0.546 341 S N -1.041 114.788 115.700 0.215 0.000 2.577 341 S HA 0.068 4.539 4.470 0.001 0.000 0.219 341 S C 0.843 175.508 174.600 0.108 0.000 0.962 341 S CA -0.541 57.745 58.200 0.144 0.000 0.921 341 S CB -0.252 63.016 63.200 0.113 0.000 0.789 341 S HN 0.179 nan 8.310 nan 0.000 0.497 342 R N 2.334 122.898 120.500 0.107 0.000 2.485 342 R HA -0.054 4.287 4.340 0.001 0.000 0.304 342 R C 1.207 177.551 176.300 0.073 0.000 0.934 342 R CA 0.297 56.446 56.100 0.081 0.000 1.102 342 R CB 0.265 30.606 30.300 0.068 0.000 0.906 342 R HN 0.236 nan 8.270 nan 0.000 0.407 343 Q N 3.064 122.898 119.800 0.058 0.000 2.030 343 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 343 Q C 0.272 176.299 176.000 0.044 0.000 0.986 343 Q CA 1.736 57.568 55.803 0.048 0.000 0.843 343 Q CB -0.048 28.713 28.738 0.038 0.000 0.904 343 Q HN 0.496 nan 8.270 nan 0.000 0.420 344 K N 0.815 121.238 120.400 0.038 0.000 2.575 344 K HA 0.295 4.616 4.320 0.001 0.000 0.236 344 K C -1.365 175.255 176.600 0.034 0.000 0.976 344 K CA -0.208 56.097 56.287 0.031 0.000 0.985 344 K CB 1.280 33.791 32.500 0.020 0.000 1.198 344 K HN -0.198 nan 8.250 nan 0.000 0.464 345 V N 3.182 123.126 119.914 0.050 0.000 2.352 345 V HA 0.057 4.178 4.120 0.001 0.000 0.253 345 V C 0.292 176.417 176.094 0.052 0.000 1.083 345 V CA -0.201 62.143 62.300 0.072 0.000 0.993 345 V CB 0.515 32.410 31.823 0.120 0.000 1.111 345 V HN 0.666 nan 8.190 nan 0.000 0.490 346 S N 5.101 120.815 115.700 0.023 0.000 2.499 346 S HA 0.678 5.149 4.470 0.001 0.000 0.279 346 S C -0.489 174.121 174.600 0.017 0.000 1.219 346 S CA -0.402 57.780 58.200 -0.030 0.000 1.062 346 S CB 0.235 63.419 63.200 -0.026 0.000 0.978 346 S HN 1.100 nan 8.310 nan 0.000 0.489 347 H N 0.077 119.125 119.070 -0.036 0.000 2.917 347 H HA 0.501 5.058 4.556 0.001 0.000 0.299 347 H C -0.567 174.731 175.328 -0.050 0.000 1.418 347 H CA -0.343 55.663 56.048 -0.070 0.000 1.138 347 H CB 0.678 30.376 29.762 -0.107 0.000 1.830 347 H HN 0.328 nan 8.280 nan 0.000 0.514 348 T N -2.514 112.140 114.554 0.166 0.000 3.487 348 T HA 0.183 4.533 4.350 0.001 0.000 0.287 348 T C 0.403 175.154 174.700 0.085 0.000 1.004 348 T CA 0.123 62.291 62.100 0.115 0.000 0.977 348 T CB -0.436 68.447 68.868 0.025 0.000 1.180 348 T HN 0.614 nan 8.240 nan 0.000 0.490 349 T N 1.370 116.008 114.554 0.140 0.000 2.759 349 T HA 0.017 4.368 4.350 0.001 0.000 0.269 349 T C 0.452 174.912 174.700 -0.399 0.000 1.042 349 T CA 1.293 63.184 62.100 -0.349 0.000 1.140 349 T CB -0.391 67.965 68.868 -0.853 0.000 0.864 349 T HN 0.496 nan 8.240 nan 0.000 0.455 350 F N 1.282 121.230 119.950 -0.004 0.000 2.660 350 F HA 0.479 5.007 4.527 0.001 0.000 0.297 350 F C 1.578 177.338 175.800 -0.067 0.000 1.132 350 F CA -0.321 57.645 58.000 -0.056 0.000 1.372 350 F CB -0.546 38.422 39.000 -0.053 0.000 1.003 350 F HN 0.296 nan 8.300 nan 0.000 0.524 351 G N 0.077 108.893 108.800 0.027 0.000 2.660 351 G HA2 -0.089 3.872 3.960 0.001 0.000 0.247 351 G HA3 -0.089 3.872 3.960 0.001 0.000 0.247 351 G C -1.446 173.442 174.900 -0.020 0.000 1.328 351 G CA -0.657 44.376 45.100 -0.112 0.000 0.884 351 G HN 0.546 nan 8.290 nan 0.000 0.531 352 H N -1.051 117.862 119.070 -0.262 0.000 3.112 352 H HA 0.677 5.234 4.556 0.001 0.000 0.347 352 H C 0.524 175.849 175.328 -0.005 0.000 1.188 352 H CA 1.824 57.822 56.048 -0.084 0.000 1.240 352 H CB 1.301 31.064 29.762 0.002 0.000 1.920 352 H HN 2.653 nan 8.280 nan 0.000 0.535 353 G N 1.168 109.745 108.800 -0.372 0.000 2.508 353 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 353 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 353 G C 1.041 175.922 174.900 -0.033 0.000 1.287 353 G CA 0.440 45.481 45.100 -0.098 0.000 0.916 353 G HN 1.360 nan 8.290 nan 0.000 0.574 354 S N -0.856 114.868 115.700 0.039 0.000 2.507 354 S HA -0.000 4.470 4.470 0.001 0.000 0.235 354 S C 1.243 175.714 174.600 -0.215 0.000 0.988 354 S CA 1.769 59.910 58.200 -0.098 0.000 0.944 354 S CB -0.218 62.870 63.200 -0.188 0.000 0.762 354 S HN 0.728 nan 8.310 nan 0.000 0.526 355 H N 0.660 119.724 119.070 -0.010 0.000 2.505 355 H HA 0.393 4.950 4.556 0.001 0.000 0.286 355 H C 0.024 175.333 175.328 -0.031 0.000 1.072 355 H CA -0.439 55.604 56.048 -0.008 0.000 1.141 355 H CB 0.002 29.772 29.762 0.014 0.000 1.550 355 H HN 0.357 nan 8.280 nan 0.000 0.547 356 L N 1.381 122.615 121.223 0.019 0.000 2.653 356 L HA -0.136 4.205 4.340 0.001 0.000 0.288 356 L C 0.979 177.851 176.870 0.003 0.000 1.243 356 L CA 0.095 54.936 54.840 0.002 0.000 0.906 356 L CB 0.256 42.299 42.059 -0.027 0.000 1.154 356 L HN 0.358 nan 8.230 nan 0.000 0.498 357 C N 5.085 124.395 119.300 0.015 0.000 2.334 357 C HA -0.052 4.409 4.460 0.001 0.000 0.395 357 C C 1.792 176.701 174.990 -0.135 0.000 1.507 357 C CA -0.205 58.799 59.018 -0.024 0.000 1.494 357 C CB -0.839 26.917 27.740 0.027 0.000 2.509 357 C HN 0.765 nan 8.230 nan 0.000 0.599 358 L N 4.929 126.106 121.223 -0.077 0.000 2.375 358 L HA 0.185 4.525 4.340 0.001 0.000 0.215 358 L C 2.366 179.168 176.870 -0.113 0.000 1.108 358 L CA 1.183 55.981 54.840 -0.070 0.000 0.830 358 L CB -0.413 41.647 42.059 0.001 0.000 0.959 358 L HN 0.951 nan 8.230 nan 0.000 0.457 359 G N -0.433 108.287 108.800 -0.133 0.000 3.189 359 G HA2 -0.055 3.906 3.960 0.001 0.000 0.225 359 G HA3 -0.055 3.906 3.960 0.001 0.000 0.225 359 G C 1.351 176.085 174.900 -0.277 0.000 1.159 359 G CA -0.067 44.958 45.100 -0.125 0.000 0.763 359 G HN 0.489 nan 8.290 nan 0.000 0.549 360 Q N -0.130 119.305 119.800 -0.607 0.000 2.181 360 Q HA -0.184 4.156 4.340 0.001 0.000 0.205 360 Q C 1.720 177.272 176.000 -0.748 0.000 0.980 360 Q CA 1.265 56.387 55.803 -1.135 0.000 0.862 360 Q CB -0.498 27.059 28.738 -1.970 0.000 0.905 360 Q HN 0.465 nan 8.270 nan 0.000 0.429 361 H N 0.730 119.631 119.070 -0.281 0.000 2.395 361 H HA 0.024 4.581 4.556 0.001 0.000 0.299 361 H C 2.182 177.462 175.328 -0.080 0.000 1.070 361 H CA 1.091 57.048 56.048 -0.150 0.000 1.356 361 H CB -0.136 29.563 29.762 -0.105 0.000 1.401 361 H HN 0.264 nan 8.280 nan 0.000 0.524 362 L N 0.564 121.795 121.223 0.012 0.000 2.093 362 L HA -0.108 4.233 4.340 0.001 0.000 0.208 362 L C 2.509 179.392 176.870 0.022 0.000 1.085 362 L CA 1.165 56.019 54.840 0.023 0.000 0.755 362 L CB -0.458 41.613 42.059 0.019 0.000 0.904 362 L HN 0.198 nan 8.230 nan 0.000 0.435 363 A N 0.077 122.889 122.820 -0.014 0.000 1.877 363 A HA -0.225 4.095 4.320 0.001 0.000 0.216 363 A C 2.272 179.923 177.584 0.113 0.000 1.186 363 A CA 1.454 53.525 52.037 0.057 0.000 0.620 363 A CB -0.506 18.545 19.000 0.086 0.000 0.822 363 A HN 0.406 nan 8.150 nan 0.000 0.443 364 R N -1.305 119.238 120.500 0.072 0.000 2.096 364 R HA -0.117 4.223 4.340 0.001 0.000 0.235 364 R C 2.439 178.823 176.300 0.140 0.000 1.127 364 R CA 1.459 57.632 56.100 0.122 0.000 0.968 364 R CB -0.266 30.089 30.300 0.093 0.000 0.861 364 R HN 0.395 nan 8.270 nan 0.000 0.440 365 R N 1.568 122.139 120.500 0.119 0.000 2.073 365 R HA -0.127 4.214 4.340 0.001 0.000 0.234 365 R C 1.735 178.154 176.300 0.198 0.000 1.134 365 R CA 1.758 57.938 56.100 0.134 0.000 0.952 365 R CB -0.247 30.115 30.300 0.103 0.000 0.850 365 R HN 0.283 nan 8.270 nan 0.000 0.433 366 E N -0.458 119.868 120.200 0.209 0.000 2.110 366 E HA -0.165 4.186 4.350 0.001 0.000 0.193 366 E C 2.007 178.887 176.600 0.466 0.000 0.988 366 E CA 1.542 58.154 56.400 0.354 0.000 0.804 366 E CB -0.158 29.645 29.700 0.172 0.000 0.745 366 E HN 0.366 nan 8.360 nan 0.000 0.458 367 I N 0.818 121.595 120.570 0.346 0.000 2.163 367 I HA -0.258 3.913 4.170 0.001 0.000 0.240 367 I C 2.371 178.639 176.117 0.251 0.000 1.081 367 I CA 1.030 62.535 61.300 0.342 0.000 1.353 367 I CB -0.217 37.999 38.000 0.360 0.000 1.054 367 I HN 0.077 nan 8.210 nan 0.000 0.407 368 I N 0.110 120.801 120.570 0.203 0.000 2.226 368 I HA -0.259 3.912 4.170 0.001 0.000 0.245 368 I C 2.546 178.747 176.117 0.140 0.000 1.100 368 I CA 1.170 62.555 61.300 0.142 0.000 1.374 368 I CB -0.333 37.737 38.000 0.117 0.000 1.057 368 I HN 0.039 nan 8.210 nan 0.000 0.413 369 V N 0.524 120.548 119.914 0.183 0.000 2.343 369 V HA -0.290 3.830 4.120 0.001 0.000 0.247 369 V C 2.506 178.677 176.094 0.129 0.000 1.051 369 V CA 2.489 64.892 62.300 0.171 0.000 1.036 369 V CB -0.851 31.126 31.823 0.257 0.000 0.654 369 V HN 0.476 nan 8.190 nan 0.000 0.451 370 T N 0.430 115.081 114.554 0.162 0.000 2.674 370 T HA -0.157 4.194 4.350 0.001 0.000 0.265 370 T C 1.892 176.634 174.700 0.070 0.000 1.039 370 T CA 1.691 63.847 62.100 0.092 0.000 1.150 370 T CB -0.333 68.660 68.868 0.209 0.000 0.864 370 T HN 0.285 nan 8.240 nan 0.000 0.427 371 L N 0.723 121.993 121.223 0.079 0.000 2.012 371 L HA -0.161 4.180 4.340 0.001 0.000 0.210 371 L C 2.764 179.678 176.870 0.073 0.000 1.073 371 L CA 1.587 56.459 54.840 0.054 0.000 0.748 371 L CB -0.524 41.559 42.059 0.040 0.000 0.891 371 L HN 0.229 nan 8.230 nan 0.000 0.431 372 K N -0.045 120.394 120.400 0.066 0.000 2.002 372 K HA -0.191 4.130 4.320 0.001 0.000 0.209 372 K C 2.020 178.648 176.600 0.047 0.000 1.048 372 K CA 1.453 57.772 56.287 0.053 0.000 0.930 372 K CB 0.057 32.587 32.500 0.050 0.000 0.714 372 K HN 0.198 nan 8.250 nan 0.000 0.438 373 E N -0.096 120.129 120.200 0.041 0.000 2.204 373 E HA -0.197 4.154 4.350 0.001 0.000 0.194 373 E C 1.661 178.243 176.600 -0.030 0.000 0.989 373 E CA 0.631 57.032 56.400 0.001 0.000 0.824 373 E CB -0.216 29.480 29.700 -0.007 0.000 0.756 373 E HN 0.544 nan 8.360 nan 0.000 0.477 374 W N 1.225 122.412 121.300 -0.188 0.000 2.441 374 W HA -0.000 4.661 4.660 0.002 0.000 0.302 374 W C 1.777 178.181 176.519 -0.192 0.000 1.191 374 W CA 0.608 57.788 57.345 -0.276 0.000 1.327 374 W CB -0.405 28.820 29.460 -0.390 0.000 1.128 374 W HN -0.003 nan 8.180 nan 0.000 0.522 375 L N 0.485 121.852 121.223 0.241 0.000 2.191 375 L HA -0.207 4.134 4.340 0.001 0.000 0.212 375 L C 2.583 179.485 176.870 0.053 0.000 1.103 375 L CA 1.837 56.793 54.840 0.194 0.000 0.769 375 L CB -1.110 41.045 42.059 0.159 0.000 0.908 375 L HN -0.038 nan 8.230 nan 0.000 0.438 376 T N -0.910 113.645 114.554 0.002 0.000 3.023 376 T HA -0.058 4.293 4.350 0.001 0.000 0.266 376 T C 1.939 176.588 174.700 -0.084 0.000 1.093 376 T CA 1.003 63.086 62.100 -0.029 0.000 1.129 376 T CB 0.121 68.976 68.868 -0.022 0.000 0.899 376 T HN 0.318 nan 8.240 nan 0.000 0.491 377 R N -0.402 119.996 120.500 -0.171 0.000 2.221 377 R HA 0.408 4.749 4.340 0.001 0.000 0.195 377 R C 0.477 176.573 176.300 -0.340 0.000 0.956 377 R CA 0.432 56.383 56.100 -0.248 0.000 1.064 377 R CB 0.693 30.801 30.300 -0.321 0.000 1.049 377 R HN 0.343 nan 8.270 nan 0.000 0.534 378 I N 2.789 123.082 120.570 -0.463 0.000 2.925 378 I HA 0.180 4.350 4.170 0.001 0.000 0.296 378 I C -1.906 174.198 176.117 -0.021 0.000 1.413 378 I CA -1.505 59.494 61.300 -0.503 0.000 0.932 378 I CB 1.814 39.061 38.000 -1.255 0.000 1.873 378 I HN -0.121 nan 8.210 nan 0.000 0.619 379 P HA -0.139 nan 4.420 nan 0.000 0.220 379 P C 0.198 177.574 177.300 0.127 0.000 1.148 379 P CA 1.430 64.606 63.100 0.126 0.000 0.803 379 P CB 0.547 32.274 31.700 0.044 0.000 0.782 380 D N -0.256 120.223 120.400 0.132 0.000 2.492 380 D HA 0.360 5.000 4.640 0.001 0.000 0.248 380 D C -0.935 175.506 176.300 0.235 0.000 1.101 380 D CA -0.644 53.392 54.000 0.059 0.000 0.840 380 D CB 1.288 42.116 40.800 0.047 0.000 1.209 380 D HN -0.068 nan 8.370 nan 0.000 0.524 381 F N 0.338 120.347 119.950 0.099 0.000 2.713 381 F HA 0.615 5.143 4.527 0.001 0.000 0.311 381 F C -1.143 174.728 175.800 0.118 0.000 1.141 381 F CA -0.938 57.180 58.000 0.197 0.000 0.939 381 F CB 1.034 40.173 39.000 0.231 0.000 1.325 381 F HN 0.157 nan 8.300 nan 0.000 0.453 382 S N 1.016 116.905 115.700 0.316 0.000 2.671 382 S HA 0.738 5.208 4.470 0.001 0.000 0.277 382 S C -1.341 173.378 174.600 0.199 0.000 1.165 382 S CA -1.022 57.259 58.200 0.135 0.000 0.822 382 S CB 1.580 64.811 63.200 0.051 0.000 1.150 382 S HN 0.730 nan 8.310 nan 0.000 0.479 383 I N 1.877 122.508 120.570 0.102 0.000 2.634 383 I HA 0.353 4.524 4.170 0.001 0.000 0.284 383 I C 1.257 177.424 176.117 0.083 0.000 1.124 383 I CA -0.277 61.078 61.300 0.092 0.000 1.417 383 I CB 0.310 38.338 38.000 0.046 0.000 1.396 383 I HN 0.985 nan 8.210 nan 0.000 0.571 384 A N 8.559 131.428 122.820 0.081 0.000 2.546 384 A HA 0.247 4.568 4.320 0.001 0.000 0.243 384 A C -2.076 175.530 177.584 0.037 0.000 1.063 384 A CA -0.715 51.354 52.037 0.054 0.000 0.757 384 A CB -0.970 18.056 19.000 0.044 0.000 0.991 384 A HN 0.524 nan 8.150 nan 0.000 0.503 385 P HA 0.156 nan 4.420 nan 0.000 0.260 385 P C 1.171 178.480 177.300 0.016 0.000 1.172 385 P CA 2.022 65.133 63.100 0.018 0.000 0.760 385 P CB 0.418 32.125 31.700 0.013 0.000 0.773 386 G N 2.401 111.209 108.800 0.014 0.000 2.245 386 G HA2 -0.282 3.678 3.960 0.001 0.000 0.264 386 G HA3 -0.282 3.678 3.960 0.001 0.000 0.264 386 G C 0.508 175.417 174.900 0.015 0.000 0.985 386 G CA 0.047 45.155 45.100 0.012 0.000 0.625 386 G HN 0.875 nan 8.290 nan 0.000 0.536 387 A N 0.458 123.290 122.820 0.020 0.000 2.548 387 A HA 0.497 4.817 4.320 0.001 0.000 0.247 387 A C 0.634 178.229 177.584 0.019 0.000 1.067 387 A CA 0.667 52.718 52.037 0.023 0.000 0.757 387 A CB 0.220 19.239 19.000 0.033 0.000 0.996 387 A HN 0.373 nan 8.150 nan 0.000 0.504 388 Q N 2.953 122.764 119.800 0.017 0.000 2.509 388 Q HA 0.233 4.574 4.340 0.001 0.000 0.230 388 Q C -0.245 175.762 176.000 0.011 0.000 1.089 388 Q CA -0.406 55.403 55.803 0.011 0.000 0.901 388 Q CB 0.560 29.304 28.738 0.010 0.000 1.208 388 Q HN 0.635 nan 8.270 nan 0.000 0.529 389 I N 2.116 122.691 120.570 0.008 0.000 2.668 389 I HA -0.074 4.097 4.170 0.001 0.000 0.285 389 I C 0.701 176.811 176.117 -0.012 0.000 1.168 389 I CA 0.656 61.965 61.300 0.015 0.000 1.424 389 I CB -0.194 37.821 38.000 0.025 0.000 1.377 389 I HN 0.333 nan 8.210 nan 0.000 0.560 390 Q N 6.025 125.851 119.800 0.044 0.000 2.316 390 Q HA 0.431 4.771 4.340 0.001 0.000 0.264 390 Q C -0.727 175.393 176.000 0.201 0.000 0.987 390 Q CA -0.566 55.275 55.803 0.063 0.000 0.852 390 Q CB 2.229 31.007 28.738 0.067 0.000 1.287 390 Q HN 0.590 nan 8.270 nan 0.000 0.448 391 H N 1.019 120.159 119.070 0.116 0.000 2.508 391 H HA 0.443 5.000 4.556 0.001 0.000 0.344 391 H C -0.447 174.970 175.328 0.149 0.000 1.192 391 H CA -0.961 55.184 56.048 0.161 0.000 1.290 391 H CB 1.452 31.388 29.762 0.289 0.000 1.571 391 H HN 0.432 nan 8.280 nan 0.000 0.555 392 K N 0.487 121.057 120.400 0.284 0.000 2.427 392 K HA 0.505 4.826 4.320 0.001 0.000 0.252 392 K C -1.156 175.594 176.600 0.251 0.000 0.931 392 K CA -0.887 55.529 56.287 0.216 0.000 0.793 392 K CB 2.529 35.117 32.500 0.146 0.000 1.211 392 K HN 0.316 nan 8.250 nan 0.000 0.426 393 S N 0.784 116.636 115.700 0.253 0.000 2.537 393 S HA 0.878 5.349 4.470 0.001 0.000 0.301 393 S C -0.385 174.364 174.600 0.248 0.000 1.092 393 S CA 0.154 58.535 58.200 0.302 0.000 1.048 393 S CB 1.300 64.721 63.200 0.368 0.000 1.053 393 S HN 0.959 nan 8.310 nan 0.000 0.501 394 G N 2.649 111.565 108.800 0.193 0.000 2.364 394 G HA2 0.237 4.198 3.960 0.001 0.000 0.286 394 G HA3 0.237 4.198 3.960 0.001 0.000 0.286 394 G C 0.212 175.089 174.900 -0.039 0.000 1.241 394 G CA -0.464 44.676 45.100 0.068 0.000 0.887 394 G HN 0.535 nan 8.290 nan 0.000 0.484 395 I N -0.018 120.513 120.570 -0.064 0.000 2.264 395 I HA 0.009 4.180 4.170 0.001 0.000 0.248 395 I C 0.812 176.842 176.117 -0.144 0.000 1.111 395 I CA 1.499 62.660 61.300 -0.232 0.000 1.382 395 I CB -0.756 36.965 38.000 -0.465 0.000 1.060 395 I HN 0.033 nan 8.210 nan 0.000 0.418 396 V N 0.377 120.268 119.914 -0.038 0.000 2.577 396 V HA 0.307 4.428 4.120 0.001 0.000 0.303 396 V C 0.054 176.180 176.094 0.054 0.000 1.042 396 V CA -0.622 61.672 62.300 -0.010 0.000 0.872 396 V CB 1.981 33.822 31.823 0.031 0.000 0.998 396 V HN 0.060 nan 8.190 nan 0.000 0.423 397 S N 2.132 117.873 115.700 0.070 0.000 2.672 397 S HA 0.902 5.372 4.470 0.001 0.000 0.276 397 S C 0.404 175.173 174.600 0.282 0.000 1.207 397 S CA 0.086 58.397 58.200 0.185 0.000 1.002 397 S CB 1.795 65.093 63.200 0.163 0.000 0.998 397 S HN 1.170 nan 8.310 nan 0.000 0.542 398 G N -0.320 108.599 108.800 0.199 0.000 2.749 398 G HA2 0.591 4.551 3.960 0.001 0.000 0.300 398 G HA3 0.591 4.551 3.960 0.001 0.000 0.300 398 G C -1.840 172.867 174.900 -0.323 0.000 1.352 398 G CA -0.497 44.518 45.100 -0.142 0.000 0.789 398 G HN 0.621 nan 8.290 nan 0.000 0.509 399 V N 0.743 120.402 119.914 -0.426 0.000 2.448 399 V HA 0.289 4.410 4.120 0.001 0.000 0.295 399 V C 0.985 177.043 176.094 -0.060 0.000 1.025 399 V CA -0.378 61.788 62.300 -0.224 0.000 0.859 399 V CB 1.310 32.930 31.823 -0.339 0.000 0.988 399 V HN 0.886 nan 8.190 nan 0.000 0.431 400 Q N 2.779 122.600 119.800 0.035 0.000 2.050 400 Q HA 0.090 4.430 4.340 0.001 0.000 0.202 400 Q C 0.675 176.695 176.000 0.032 0.000 0.980 400 Q CA 1.708 57.535 55.803 0.039 0.000 0.840 400 Q CB 0.216 28.990 28.738 0.060 0.000 0.898 400 Q HN 0.916 nan 8.270 nan 0.000 0.424 401 A N -0.128 122.718 122.820 0.043 0.000 2.589 401 A HA 0.557 4.878 4.320 0.001 0.000 0.296 401 A C -1.939 175.684 177.584 0.065 0.000 1.062 401 A CA -0.626 51.442 52.037 0.052 0.000 0.686 401 A CB 1.550 20.581 19.000 0.051 0.000 1.282 401 A HN 0.099 nan 8.150 nan 0.000 0.404 402 L N 2.850 124.129 121.223 0.094 0.000 2.481 402 L HA 0.482 4.822 4.340 0.001 0.000 0.255 402 L C -2.636 174.316 176.870 0.138 0.000 1.192 402 L CA -1.471 53.432 54.840 0.104 0.000 0.924 402 L CB 1.765 43.890 42.059 0.109 0.000 1.179 402 L HN 0.458 nan 8.230 nan 0.000 0.491 403 P HA 0.218 nan 4.420 nan 0.000 0.276 403 P C -0.900 176.485 177.300 0.141 0.000 1.264 403 P CA 0.053 63.222 63.100 0.116 0.000 0.769 403 P CB 0.981 32.725 31.700 0.074 0.000 0.840 404 L N 4.126 125.476 121.223 0.211 0.000 2.330 404 L HA 0.712 5.053 4.340 0.001 0.000 0.271 404 L C 0.561 177.593 176.870 0.270 0.000 1.013 404 L CA -1.194 53.830 54.840 0.307 0.000 0.816 404 L CB 2.138 44.459 42.059 0.438 0.000 1.287 404 L HN 0.232 nan 8.230 nan 0.000 0.435 405 V N -1.220 118.890 119.914 0.328 0.000 3.078 405 V HA 0.821 4.942 4.120 0.001 0.000 0.311 405 V C -1.682 174.662 176.094 0.417 0.000 1.138 405 V CA -0.596 61.773 62.300 0.115 0.000 1.007 405 V CB 1.831 33.670 31.823 0.027 0.000 1.045 405 V HN 0.992 nan 8.190 nan 0.000 0.432 406 W N 0.662 122.031 121.300 0.115 0.000 3.057 406 W HA 0.716 5.376 4.660 0.001 0.000 0.328 406 W C -1.893 174.664 176.519 0.062 0.000 1.232 406 W CA -0.631 56.783 57.345 0.114 0.000 1.187 406 W CB 0.823 30.384 29.460 0.168 0.000 1.417 406 W HN 0.709 nan 8.180 nan 0.000 0.569 407 D N 2.082 122.662 120.400 0.300 0.000 2.347 407 D HA 0.374 5.015 4.640 0.001 0.000 0.235 407 D C -1.489 174.963 176.300 0.253 0.000 1.149 407 D CA -2.454 51.645 54.000 0.164 0.000 0.850 407 D CB 1.927 42.798 40.800 0.118 0.000 1.061 407 D HN 0.066 nan 8.370 nan 0.000 0.487 408 P HA -0.142 nan 4.420 nan 0.000 0.218 408 P C 0.898 178.276 177.300 0.130 0.000 1.146 408 P CA 1.316 64.535 63.100 0.198 0.000 0.813 408 P CB 0.218 31.972 31.700 0.091 0.000 0.778 409 A N -0.615 122.261 122.820 0.093 0.000 2.070 409 A HA -0.147 4.173 4.320 0.001 0.000 0.220 409 A C 2.059 179.680 177.584 0.063 0.000 1.159 409 A CA 2.115 54.189 52.037 0.062 0.000 0.656 409 A CB -1.672 17.356 19.000 0.046 0.000 0.800 409 A HN 0.352 nan 8.150 nan 0.000 0.453 410 T N -2.615 111.992 114.554 0.090 0.000 3.107 410 T HA 0.140 4.491 4.350 0.001 0.000 0.249 410 T C 0.964 175.692 174.700 0.047 0.000 1.096 410 T CA 0.782 62.923 62.100 0.070 0.000 1.012 410 T CB -0.826 68.094 68.868 0.087 0.000 0.977 410 T HN 0.543 nan 8.240 nan 0.000 0.527 411 T N 0.253 114.837 114.554 0.049 0.000 2.814 411 T HA 0.625 4.976 4.350 0.001 0.000 0.284 411 T C -0.604 174.081 174.700 -0.024 0.000 0.998 411 T CA -0.802 61.288 62.100 -0.018 0.000 0.935 411 T CB 1.219 70.071 68.868 -0.027 0.000 1.167 411 T HN 0.644 nan 8.240 nan 0.000 0.545 412 K N -1.006 119.358 120.400 -0.059 0.000 2.580 412 K HA 0.654 4.975 4.320 0.001 0.000 0.258 412 K C -1.138 175.425 176.600 -0.062 0.000 0.936 412 K CA -0.847 55.414 56.287 -0.044 0.000 0.852 412 K CB 1.094 33.575 32.500 -0.032 0.000 1.329 412 K HN 0.822 nan 8.250 nan 0.000 0.430 413 A N 2.557 125.350 122.820 -0.044 0.000 2.440 413 A HA 0.622 4.942 4.320 0.001 0.000 0.251 413 A C -0.254 177.305 177.584 -0.041 0.000 1.089 413 A CA -0.304 51.705 52.037 -0.047 0.000 0.779 413 A CB 0.433 19.415 19.000 -0.029 0.000 1.022 413 A HN 0.501 nan 8.150 nan 0.000 0.492 414 V N 0.000 119.887 119.914 -0.046 0.000 2.409 414 V HA 0.000 4.121 4.120 0.001 0.000 0.244 414 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 414 V CB 0.000 31.799 31.823 -0.040 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556