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 1jf9_1_A DATA FIRST_RESID 2 DATA SEQUENCE IFSVDKVRAD FPVLSREVNG LPLAYLDSAA SAQKPSQVID AEAEFYRHGY DATA SEQUENCE AAVHRGIHTL SAQATEKMEN VRKRASLFIN ARSAEELVFV RGTTEGINLV DATA SEQUENCE ANSWGNSNVR AGDNIIISQM EHHANIVPWQ MLCARVGAEL RVIPLNPDGT DATA SEQUENCE LQLETLPTLF DEKTRLLAIT HVSNVLGTEN PLAEMITLAH QHGAKVLVDG DATA SEQUENCE AQAVMHHPVD VQALDCDFYV FSGHKLYGPT GIGILYVKEA LLQEMPPWEG DATA SEQUENCE GGSMIATVSL SEGTTWTKAP WRFEAGTPNT GGIIGLGAAL EYVSALGLNN DATA SEQUENCE IAEYEQNLMH YALSQLESVP DLTLYGPQNR LGVIAFNLGK HHAYDVGSFL DATA SEQUENCE DNYGIAVRTG HHCAMPLMAY YNVPAMCRAS LAMYNTHEEV DRLVTGLQRI DATA SEQUENCE HRLLG 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.189 176.117 0.121 0.000 1.063 2 I CA 0.000 61.363 61.300 0.106 0.000 1.566 2 I CB 0.000 38.047 38.000 0.079 0.000 1.214 3 F N 4.052 123.997 119.950 -0.008 0.000 2.429 3 F HA 0.443 4.971 4.527 0.002 0.000 0.348 3 F C 0.707 176.456 175.800 -0.085 0.000 1.109 3 F CA 0.475 58.441 58.000 -0.056 0.000 1.232 3 F CB 1.232 40.202 39.000 -0.049 0.000 1.157 3 F HN 0.409 nan 8.300 nan 0.000 0.564 4 S N 5.883 121.222 115.700 -0.602 0.000 2.667 4 S HA 0.247 4.718 4.470 0.001 0.000 0.304 4 S C 0.538 174.796 174.600 -0.571 0.000 1.135 4 S CA -0.680 57.285 58.200 -0.393 0.000 1.125 4 S CB 0.950 64.005 63.200 -0.242 0.000 0.996 4 S HN 0.736 nan 8.310 nan 0.000 0.474 5 V N 4.296 123.984 119.914 -0.377 0.000 2.392 5 V HA -0.113 4.008 4.120 0.001 0.000 0.249 5 V C 1.744 177.774 176.094 -0.108 0.000 1.059 5 V CA 2.370 64.523 62.300 -0.244 0.000 1.051 5 V CB -0.383 31.358 31.823 -0.137 0.000 0.658 5 V HN 0.855 nan 8.190 nan 0.000 0.455 6 D N -0.191 120.166 120.400 -0.071 0.000 2.117 6 D HA -0.166 4.475 4.640 0.001 0.000 0.197 6 D C 2.236 178.513 176.300 -0.038 0.000 0.987 6 D CA 1.472 55.456 54.000 -0.026 0.000 0.829 6 D CB -0.166 40.624 40.800 -0.017 0.000 0.961 6 D HN 0.507 nan 8.370 nan 0.000 0.460 7 K N 0.381 120.725 120.400 -0.094 0.000 2.097 7 K HA -0.035 4.286 4.320 0.001 0.000 0.205 7 K C 2.231 178.806 176.600 -0.041 0.000 1.050 7 K CA 0.401 56.641 56.287 -0.078 0.000 0.938 7 K CB 0.039 32.467 32.500 -0.121 0.000 0.718 7 K HN -0.019 nan 8.250 nan 0.000 0.442 8 V N 1.575 121.428 119.914 -0.102 0.000 2.295 8 V HA -0.231 3.890 4.120 0.001 0.000 0.246 8 V C 2.163 178.426 176.094 0.281 0.000 1.049 8 V CA 1.637 63.982 62.300 0.076 0.000 1.024 8 V CB -0.461 31.329 31.823 -0.055 0.000 0.648 8 V HN 0.270 nan 8.190 nan 0.000 0.447 9 R N 0.213 120.816 120.500 0.171 0.000 2.159 9 R HA -0.118 4.223 4.340 0.001 0.000 0.237 9 R C 2.294 178.709 176.300 0.192 0.000 1.131 9 R CA 1.339 57.554 56.100 0.193 0.000 0.982 9 R CB -0.528 29.832 30.300 0.099 0.000 0.868 9 R HN 0.543 nan 8.270 nan 0.000 0.453 10 A N 1.081 123.974 122.820 0.122 0.000 2.067 10 A HA -0.132 4.189 4.320 0.001 0.000 0.219 10 A C 1.218 178.840 177.584 0.063 0.000 1.158 10 A CA 1.292 53.373 52.037 0.073 0.000 0.661 10 A CB -0.071 18.950 19.000 0.035 0.000 0.801 10 A HN 0.140 nan 8.150 nan 0.000 0.452 11 D N -1.231 119.225 120.400 0.094 0.000 2.347 11 D HA 0.049 4.690 4.640 0.001 0.000 0.215 11 D C -0.569 175.589 176.300 -0.237 0.000 0.976 11 D CA 0.556 54.514 54.000 -0.070 0.000 0.884 11 D CB -0.057 40.680 40.800 -0.105 0.000 0.915 11 D HN 0.424 nan 8.370 nan 0.000 0.526 12 F N 1.353 121.267 119.950 -0.060 0.000 2.308 12 F HA 0.239 4.766 4.527 0.001 0.000 0.370 12 F C -1.309 174.431 175.800 -0.100 0.000 1.100 12 F CA -2.281 55.659 58.000 -0.101 0.000 1.108 12 F CB 1.581 40.489 39.000 -0.154 0.000 1.293 12 F HN -0.200 nan 8.300 nan 0.000 0.478 13 P HA -0.182 nan 4.420 nan 0.000 0.217 13 P C 1.727 179.023 177.300 -0.006 0.000 1.148 13 P CA 1.155 64.251 63.100 -0.006 0.000 0.828 13 P CB 0.292 31.973 31.700 -0.031 0.000 0.783 14 V N -0.016 119.888 119.914 -0.017 0.000 2.626 14 V HA -0.170 3.951 4.120 0.001 0.000 0.252 14 V C 2.526 178.580 176.094 -0.066 0.000 1.067 14 V CA 1.219 63.484 62.300 -0.059 0.000 1.081 14 V CB -1.160 30.591 31.823 -0.120 0.000 0.686 14 V HN 0.060 nan 8.190 nan 0.000 0.468 15 L N -0.074 121.108 121.223 -0.068 0.000 2.450 15 L HA -0.089 4.252 4.340 0.001 0.000 0.224 15 L C 2.112 178.975 176.870 -0.012 0.000 1.149 15 L CA 0.980 55.780 54.840 -0.067 0.000 0.816 15 L CB -0.533 41.459 42.059 -0.110 0.000 0.932 15 L HN 0.301 nan 8.230 nan 0.000 0.449 16 S N -1.133 114.566 115.700 -0.001 0.000 2.558 16 S HA 0.029 4.500 4.470 0.001 0.000 0.217 16 S C 0.948 175.554 174.600 0.011 0.000 0.975 16 S CA -0.256 57.950 58.200 0.010 0.000 0.912 16 S CB -0.148 63.057 63.200 0.009 0.000 0.776 16 S HN 0.260 nan 8.310 nan 0.000 0.526 17 R N 2.911 123.413 120.500 0.005 0.000 2.774 17 R HA 0.172 4.513 4.340 0.001 0.000 0.269 17 R C -0.227 176.087 176.300 0.023 0.000 1.068 17 R CA 0.532 56.638 56.100 0.009 0.000 1.180 17 R CB 0.158 30.457 30.300 -0.001 0.000 1.077 17 R HN 0.166 nan 8.270 nan 0.000 0.513 18 E N 0.680 120.895 120.200 0.025 0.000 2.256 18 E HA 0.466 4.817 4.350 0.001 0.000 0.267 18 E C -1.293 175.328 176.600 0.036 0.000 0.892 18 E CA -1.109 55.311 56.400 0.034 0.000 0.775 18 E CB 2.457 32.175 29.700 0.030 0.000 1.207 18 E HN 0.228 nan 8.360 nan 0.000 0.420 19 V N 2.985 122.926 119.914 0.045 0.000 2.638 19 V HA 0.165 4.286 4.120 0.001 0.000 0.306 19 V C 0.049 176.167 176.094 0.040 0.000 1.052 19 V CA -0.598 61.728 62.300 0.043 0.000 0.885 19 V CB 1.534 33.392 31.823 0.057 0.000 0.999 19 V HN 0.902 nan 8.190 nan 0.000 0.424 20 N N 3.787 122.504 118.700 0.027 0.000 2.725 20 N HA -0.198 4.543 4.740 0.001 0.000 0.249 20 N C 1.006 176.534 175.510 0.032 0.000 1.103 20 N CA 1.843 54.907 53.050 0.023 0.000 0.707 20 N CB -0.961 37.537 38.487 0.019 0.000 1.043 20 N HN 1.744 nan 8.380 nan 0.000 0.553 21 G N -2.115 106.704 108.800 0.031 0.000 2.168 21 G HA2 -0.302 3.659 3.960 0.001 0.000 0.263 21 G HA3 -0.302 3.659 3.960 0.001 0.000 0.263 21 G C 0.002 174.926 174.900 0.042 0.000 0.977 21 G CA 0.800 45.919 45.100 0.032 0.000 0.659 21 G HN 0.512 nan 8.290 nan 0.000 0.533 22 L N 0.786 122.040 121.223 0.051 0.000 2.323 22 L HA 0.564 4.905 4.340 0.001 0.000 0.265 22 L C -2.015 174.891 176.870 0.061 0.000 1.012 22 L CA -2.761 52.116 54.840 0.062 0.000 0.820 22 L CB 2.335 44.445 42.059 0.086 0.000 1.334 22 L HN -0.162 nan 8.230 nan 0.000 0.427 23 P HA 0.040 nan 4.420 nan 0.000 0.271 23 P C -0.558 176.787 177.300 0.075 0.000 1.226 23 P CA -0.379 62.757 63.100 0.059 0.000 0.765 23 P CB 0.791 32.523 31.700 0.054 0.000 0.835 24 L N 3.637 124.904 121.223 0.074 0.000 2.540 24 L HA 0.268 4.609 4.340 0.001 0.000 0.276 24 L C 0.032 176.971 176.870 0.114 0.000 1.212 24 L CA 0.369 55.267 54.840 0.097 0.000 0.893 24 L CB -0.393 41.718 42.059 0.086 0.000 1.138 24 L HN 0.500 nan 8.230 nan 0.000 0.491 25 A N 5.544 128.447 122.820 0.139 0.000 2.431 25 A HA 0.266 4.587 4.320 0.001 0.000 0.318 25 A C -1.163 176.531 177.584 0.184 0.000 1.330 25 A CA -0.481 51.645 52.037 0.147 0.000 0.804 25 A CB -0.222 18.854 19.000 0.127 0.000 1.135 25 A HN 0.652 nan 8.150 nan 0.000 0.483 26 Y N 3.693 124.039 120.300 0.077 0.000 2.613 26 Y HA 0.387 4.937 4.550 0.001 0.000 0.354 26 Y C 0.140 176.130 175.900 0.150 0.000 1.063 26 Y CA -0.417 57.740 58.100 0.094 0.000 1.384 26 Y CB 0.321 38.811 38.460 0.051 0.000 1.199 26 Y HN 0.565 nan 8.280 nan 0.000 0.517 27 L N 5.361 126.473 121.223 -0.184 0.000 3.034 27 L HA 0.248 4.589 4.340 0.001 0.000 0.245 27 L C 0.166 176.885 176.870 -0.250 0.000 1.295 27 L CA 0.128 54.901 54.840 -0.111 0.000 1.068 27 L CB 0.129 42.195 42.059 0.012 0.000 1.426 27 L HN 0.459 nan 8.230 nan 0.000 0.531 28 D N -1.307 118.696 120.400 -0.661 0.000 2.720 28 D HA 0.100 4.741 4.640 0.001 0.000 0.285 28 D C 1.396 177.561 176.300 -0.226 0.000 1.359 28 D CA 0.142 53.869 54.000 -0.455 0.000 0.818 28 D CB 0.625 41.145 40.800 -0.467 0.000 1.108 28 D HN -0.092 nan 8.370 nan 0.000 0.474 29 S N -0.530 115.164 115.700 -0.010 0.000 2.399 29 S HA -0.139 4.332 4.470 0.001 0.000 0.231 29 S C 2.068 176.731 174.600 0.105 0.000 1.022 29 S CA 1.045 59.384 58.200 0.231 0.000 0.983 29 S CB 0.033 63.360 63.200 0.211 0.000 0.803 29 S HN 0.499 nan 8.310 nan 0.000 0.480 30 A N 1.210 124.067 122.820 0.061 0.000 2.019 30 A HA 0.128 4.449 4.320 0.001 0.000 0.219 30 A C 2.253 179.890 177.584 0.088 0.000 1.164 30 A CA 1.576 53.646 52.037 0.055 0.000 0.644 30 A CB -0.744 18.287 19.000 0.051 0.000 0.805 30 A HN 0.516 nan 8.150 nan 0.000 0.449 31 A N -1.928 120.965 122.820 0.123 0.000 1.898 31 A HA 0.372 4.693 4.320 0.001 0.000 0.214 31 A C 1.156 178.893 177.584 0.256 0.000 1.183 31 A CA 1.418 53.563 52.037 0.181 0.000 0.622 31 A CB -0.184 18.914 19.000 0.163 0.000 0.824 31 A HN 0.796 nan 8.150 nan 0.000 0.444 32 S N -2.623 113.241 115.700 0.274 0.000 2.560 32 S HA 0.547 5.018 4.470 0.001 0.000 0.283 32 S C -0.786 174.013 174.600 0.331 0.000 1.141 32 S CA -0.125 58.287 58.200 0.353 0.000 0.902 32 S CB 0.974 64.421 63.200 0.412 0.000 1.104 32 S HN 1.160 nan 8.310 nan 0.000 0.454 33 A N 3.630 126.576 122.820 0.210 0.000 2.279 33 A HA 0.751 5.072 4.320 0.001 0.000 0.303 33 A C 0.003 177.774 177.584 0.310 0.000 1.108 33 A CA -0.474 51.713 52.037 0.250 0.000 0.830 33 A CB 0.425 19.340 19.000 -0.142 0.000 1.106 33 A HN 0.753 nan 8.150 nan 0.000 0.493 34 Q N 0.166 120.210 119.800 0.406 0.000 2.382 34 Q HA 0.358 4.698 4.340 0.001 0.000 0.229 34 Q C -0.880 175.496 176.000 0.626 0.000 1.006 34 Q CA 0.218 56.186 55.803 0.275 0.000 0.916 34 Q CB 0.690 29.413 28.738 -0.025 0.000 1.235 34 Q HN 0.559 nan 8.270 nan 0.000 0.512 35 K N 1.690 122.338 120.400 0.413 0.000 2.270 35 K HA 0.444 4.765 4.320 0.001 0.000 0.255 35 K C -2.412 174.007 176.600 -0.302 0.000 0.936 35 K CA -1.728 54.676 56.287 0.196 0.000 0.809 35 K CB 1.491 34.033 32.500 0.071 0.000 1.131 35 K HN 0.308 nan 8.250 nan 0.000 0.427 36 P HA -0.025 nan 4.420 nan 0.000 0.274 36 P C 0.209 177.148 177.300 -0.603 0.000 1.237 36 P CA -0.296 62.013 63.100 -1.318 0.000 0.793 36 P CB 1.213 31.834 31.700 -1.798 0.000 0.977 37 S N 0.898 116.328 115.700 -0.449 0.000 2.419 37 S HA -0.226 4.245 4.470 0.001 0.000 0.233 37 S C 1.684 176.171 174.600 -0.189 0.000 1.016 37 S CA 1.082 59.142 58.200 -0.234 0.000 0.974 37 S CB -0.909 62.197 63.200 -0.158 0.000 0.786 37 S HN 0.330 nan 8.310 nan 0.000 0.492 38 Q N 1.165 120.831 119.800 -0.224 0.000 2.135 38 Q HA 0.034 4.375 4.340 0.001 0.000 0.204 38 Q C 2.311 178.247 176.000 -0.106 0.000 0.981 38 Q CA 1.612 57.343 55.803 -0.120 0.000 0.856 38 Q CB -0.728 27.981 28.738 -0.048 0.000 0.902 38 Q HN 0.523 nan 8.270 nan 0.000 0.425 39 V N 0.116 119.928 119.914 -0.170 0.000 2.323 39 V HA -0.182 3.938 4.120 0.001 0.000 0.244 39 V C 1.994 178.048 176.094 -0.067 0.000 1.041 39 V CA 1.390 63.629 62.300 -0.102 0.000 1.025 39 V CB -0.424 31.333 31.823 -0.111 0.000 0.656 39 V HN 0.336 nan 8.190 nan 0.000 0.451 40 I N 0.378 120.899 120.570 -0.082 0.000 2.226 40 I HA -0.234 3.937 4.170 0.001 0.000 0.245 40 I C 2.171 178.280 176.117 -0.015 0.000 1.100 40 I CA 1.654 62.932 61.300 -0.038 0.000 1.374 40 I CB -0.497 37.473 38.000 -0.050 0.000 1.057 40 I HN 0.311 nan 8.210 nan 0.000 0.413 41 D N 1.005 121.387 120.400 -0.030 0.000 2.183 41 D HA -0.068 4.572 4.640 0.001 0.000 0.203 41 D C 2.259 178.566 176.300 0.011 0.000 0.969 41 D CA 1.297 55.293 54.000 -0.006 0.000 0.842 41 D CB -0.144 40.644 40.800 -0.020 0.000 0.957 41 D HN 0.314 nan 8.370 nan 0.000 0.484 42 A N 0.864 123.682 122.820 -0.003 0.000 1.902 42 A HA -0.227 4.094 4.320 0.001 0.000 0.217 42 A C 2.122 179.717 177.584 0.019 0.000 1.181 42 A CA 1.766 53.807 52.037 0.007 0.000 0.623 42 A CB -0.542 18.450 19.000 -0.014 0.000 0.818 42 A HN 0.265 nan 8.150 nan 0.000 0.443 43 E N -0.248 119.949 120.200 -0.005 0.000 2.047 43 E HA -0.085 4.266 4.350 0.001 0.000 0.191 43 E C 2.180 178.784 176.600 0.006 0.000 0.987 43 E CA 0.967 57.344 56.400 -0.038 0.000 0.799 43 E CB -0.266 29.413 29.700 -0.035 0.000 0.752 43 E HN 0.514 nan 8.360 nan 0.000 0.449 44 A N 1.099 123.971 122.820 0.087 0.000 1.908 44 A HA -0.248 4.073 4.320 0.001 0.000 0.218 44 A C 1.929 179.598 177.584 0.142 0.000 1.181 44 A CA 1.843 53.974 52.037 0.155 0.000 0.627 44 A CB -0.604 18.459 19.000 0.104 0.000 0.818 44 A HN 0.342 nan 8.150 nan 0.000 0.445 45 E N -1.378 118.887 120.200 0.108 0.000 2.077 45 E HA -0.183 4.168 4.350 0.001 0.000 0.193 45 E C 1.734 178.446 176.600 0.186 0.000 0.989 45 E CA 1.353 57.825 56.400 0.120 0.000 0.800 45 E CB -0.300 29.451 29.700 0.085 0.000 0.746 45 E HN 0.700 nan 8.360 nan 0.000 0.452 46 F N 0.525 120.484 119.950 0.016 0.000 2.102 46 F HA -0.256 4.272 4.527 0.001 0.000 0.298 46 F C 1.790 177.659 175.800 0.115 0.000 1.105 46 F CA 1.405 59.414 58.000 0.014 0.000 1.239 46 F CB -0.407 38.522 39.000 -0.119 0.000 0.991 46 F HN -0.004 nan 8.300 nan 0.000 0.474 47 Y N 0.666 120.933 120.300 -0.056 0.000 2.224 47 Y HA -0.106 4.445 4.550 0.001 0.000 0.289 47 Y C 2.614 178.451 175.900 -0.104 0.000 1.146 47 Y CA 1.571 59.557 58.100 -0.191 0.000 1.182 47 Y CB -0.912 37.473 38.460 -0.125 0.000 0.983 47 Y HN 0.053 nan 8.280 nan 0.000 0.524 48 R N -1.833 118.755 120.500 0.147 0.000 2.193 48 R HA -0.076 4.264 4.340 0.001 0.000 0.213 48 R C 1.857 178.246 176.300 0.148 0.000 1.055 48 R CA 1.219 57.387 56.100 0.114 0.000 0.995 48 R CB -0.095 30.268 30.300 0.104 0.000 0.893 48 R HN 0.457 nan 8.270 nan 0.000 0.459 49 H N -2.250 116.830 119.070 0.017 0.000 3.067 49 H HA 0.160 4.717 4.556 0.002 0.000 0.241 49 H C 0.887 176.217 175.328 0.005 0.000 0.961 49 H CA 0.558 56.617 56.048 0.018 0.000 1.123 49 H CB 1.293 31.078 29.762 0.039 0.000 1.448 49 H HN 0.238 nan 8.280 nan 0.000 0.457 50 G N -0.072 108.673 108.800 -0.092 0.000 3.735 50 G HA2 0.018 3.978 3.960 0.001 0.000 0.283 50 G HA3 0.018 3.978 3.960 0.001 0.000 0.283 50 G C -0.712 174.027 174.900 -0.269 0.000 1.007 50 G CA -0.287 44.730 45.100 -0.138 0.000 0.821 50 G HN 0.221 nan 8.290 nan 0.000 0.505 51 Y N 2.107 122.119 120.300 -0.480 0.000 2.526 51 Y HA 0.439 4.989 4.550 0.001 0.000 0.330 51 Y C 0.261 176.055 175.900 -0.177 0.000 1.156 51 Y CA 0.163 57.928 58.100 -0.559 0.000 1.419 51 Y CB 0.719 38.951 38.460 -0.380 0.000 1.250 51 Y HN 0.344 nan 8.280 nan 0.000 0.540 52 A N 3.863 125.949 122.820 -1.223 0.000 2.566 52 A HA 0.757 5.078 4.320 0.001 0.000 0.290 52 A C -1.296 175.897 177.584 -0.651 0.000 1.071 52 A CA -0.617 51.021 52.037 -0.665 0.000 0.658 52 A CB -0.082 18.825 19.000 -0.156 0.000 1.285 52 A HN 1.189 nan 8.150 nan 0.000 0.427 53 A N -0.406 122.258 122.820 -0.261 0.000 2.406 53 A HA 0.510 4.830 4.320 0.001 0.000 0.243 53 A C 0.735 178.201 177.584 -0.197 0.000 1.082 53 A CA 0.489 52.438 52.037 -0.147 0.000 0.786 53 A CB -0.082 18.915 19.000 -0.005 0.000 1.029 53 A HN 2.040 nan 8.150 nan 0.000 0.495 54 V N -0.675 119.078 119.914 -0.268 0.000 2.887 54 V HA 0.328 4.449 4.120 0.001 0.000 0.370 54 V C -0.005 175.860 176.094 -0.381 0.000 1.322 54 V CA -0.225 61.892 62.300 -0.306 0.000 1.267 54 V CB -0.925 30.721 31.823 -0.295 0.000 1.344 54 V HN 0.759 nan 8.190 nan 0.000 0.573 55 H N 2.713 121.756 119.070 -0.046 0.000 2.483 55 H HA 0.482 5.039 4.556 0.002 0.000 0.224 55 H C 0.284 175.568 175.328 -0.073 0.000 1.690 55 H CA -0.288 55.737 56.048 -0.039 0.000 1.217 55 H CB 0.193 29.948 29.762 -0.011 0.000 1.619 55 H HN 0.375 nan 8.280 nan 0.000 0.528 56 R N 0.023 120.505 120.500 -0.030 0.000 3.264 56 R HA -0.123 4.218 4.340 0.001 0.000 0.251 56 R C 0.526 176.777 176.300 -0.083 0.000 0.971 56 R CA 0.618 56.679 56.100 -0.065 0.000 0.658 56 R CB -1.996 28.265 30.300 -0.066 0.000 1.095 56 R HN 0.665 nan 8.270 nan 0.000 0.443 57 G N 0.105 108.821 108.800 -0.141 0.000 2.544 57 G HA2 0.266 4.227 3.960 0.001 0.000 0.242 57 G HA3 0.266 4.227 3.960 0.001 0.000 0.242 57 G C 1.289 176.064 174.900 -0.207 0.000 1.247 57 G CA -0.605 44.370 45.100 -0.208 0.000 0.840 57 G HN 0.144 nan 8.290 nan 0.000 0.578 58 I N 0.540 121.026 120.570 -0.140 0.000 2.406 58 I HA 0.034 4.205 4.170 0.001 0.000 0.249 58 I C 1.620 177.704 176.117 -0.056 0.000 1.122 58 I CA 0.499 61.760 61.300 -0.066 0.000 1.431 58 I CB -1.028 36.968 38.000 -0.007 0.000 1.087 58 I HN 0.687 nan 8.210 nan 0.000 0.424 59 H N -1.704 117.356 119.070 -0.018 0.000 2.771 59 H HA 0.128 4.685 4.556 0.002 0.000 0.364 59 H C 1.458 176.770 175.328 -0.027 0.000 1.133 59 H CA 0.307 56.342 56.048 -0.022 0.000 1.423 59 H CB -0.202 29.546 29.762 -0.024 0.000 1.425 59 H HN -0.065 nan 8.280 nan 0.000 0.606 60 T N 2.030 116.657 114.554 0.121 0.000 2.624 60 T HA -0.188 4.163 4.350 0.001 0.000 0.268 60 T C 1.917 176.639 174.700 0.037 0.000 1.041 60 T CA 1.748 63.880 62.100 0.053 0.000 1.159 60 T CB -0.154 68.743 68.868 0.047 0.000 0.863 60 T HN 0.385 nan 8.240 nan 0.000 0.434 61 L N 0.922 122.214 121.223 0.114 0.000 2.046 61 L HA -0.019 4.322 4.340 0.001 0.000 0.208 61 L C 2.758 179.607 176.870 -0.034 0.000 1.077 61 L CA 1.487 56.355 54.840 0.047 0.000 0.747 61 L CB -1.198 40.898 42.059 0.063 0.000 0.896 61 L HN 0.245 nan 8.230 nan 0.000 0.432 62 S N -1.159 114.440 115.700 -0.167 0.000 2.383 62 S HA -0.118 4.353 4.470 0.001 0.000 0.227 62 S C 2.149 176.629 174.600 -0.199 0.000 1.026 62 S CA 1.058 59.077 58.200 -0.301 0.000 0.981 62 S CB -0.120 62.659 63.200 -0.701 0.000 0.818 62 S HN 0.436 nan 8.310 nan 0.000 0.472 63 A N 0.747 123.465 122.820 -0.170 0.000 1.898 63 A HA -0.069 4.252 4.320 0.001 0.000 0.216 63 A C 2.136 179.688 177.584 -0.053 0.000 1.181 63 A CA 1.444 53.422 52.037 -0.098 0.000 0.620 63 A CB -0.674 18.283 19.000 -0.073 0.000 0.819 63 A HN 0.682 nan 8.150 nan 0.000 0.442 64 Q N -0.748 119.034 119.800 -0.030 0.000 2.123 64 Q HA -0.023 4.318 4.340 0.001 0.000 0.199 64 Q C 2.393 178.400 176.000 0.011 0.000 0.966 64 Q CA 1.147 56.951 55.803 0.002 0.000 0.845 64 Q CB -0.324 28.427 28.738 0.022 0.000 0.907 64 Q HN 0.678 nan 8.270 nan 0.000 0.439 65 A N 0.427 123.255 122.820 0.014 0.000 1.930 65 A HA -0.159 4.162 4.320 0.001 0.000 0.217 65 A C 2.208 179.762 177.584 -0.050 0.000 1.175 65 A CA 1.737 53.794 52.037 0.033 0.000 0.627 65 A CB -0.774 18.272 19.000 0.077 0.000 0.815 65 A HN 0.286 nan 8.150 nan 0.000 0.443 66 T N -0.512 114.005 114.554 -0.061 0.000 2.746 66 T HA -0.156 4.195 4.350 0.001 0.000 0.267 66 T C 1.854 176.546 174.700 -0.013 0.000 1.039 66 T CA 1.591 63.658 62.100 -0.054 0.000 1.142 66 T CB -0.192 68.638 68.868 -0.063 0.000 0.866 66 T HN 0.721 nan 8.240 nan 0.000 0.444 67 E N 0.901 121.095 120.200 -0.010 0.000 2.106 67 E HA -0.130 4.221 4.350 0.001 0.000 0.192 67 E C 2.094 178.700 176.600 0.010 0.000 0.984 67 E CA 0.909 57.317 56.400 0.013 0.000 0.806 67 E CB 0.049 29.756 29.700 0.011 0.000 0.750 67 E HN 0.407 nan 8.360 nan 0.000 0.458 68 K N 0.278 120.662 120.400 -0.026 0.000 2.057 68 K HA -0.172 4.149 4.320 0.001 0.000 0.207 68 K C 2.274 178.834 176.600 -0.067 0.000 1.049 68 K CA 1.708 57.956 56.287 -0.064 0.000 0.931 68 K CB -0.225 32.186 32.500 -0.148 0.000 0.714 68 K HN 0.254 nan 8.250 nan 0.000 0.440 69 M N 1.036 120.589 119.600 -0.079 0.000 2.086 69 M HA -0.177 4.304 4.480 0.001 0.000 0.261 69 M C 1.536 177.923 176.300 0.145 0.000 1.067 69 M CA 1.698 56.968 55.300 -0.050 0.000 1.116 69 M CB 0.142 32.696 32.600 -0.077 0.000 1.348 69 M HN -0.039 nan 8.290 nan 0.000 0.407 70 E N 0.684 120.981 120.200 0.162 0.000 2.204 70 E HA -0.117 4.234 4.350 0.001 0.000 0.194 70 E C 1.643 178.350 176.600 0.177 0.000 0.989 70 E CA 0.854 57.393 56.400 0.231 0.000 0.824 70 E CB -0.591 29.240 29.700 0.218 0.000 0.756 70 E HN 0.618 nan 8.360 nan 0.000 0.477 71 N N 0.428 119.198 118.700 0.117 0.000 2.188 71 N HA -0.095 4.646 4.740 0.001 0.000 0.184 71 N C 1.942 177.520 175.510 0.113 0.000 1.018 71 N CA 0.594 53.701 53.050 0.095 0.000 0.858 71 N CB -0.210 38.312 38.487 0.058 0.000 0.989 71 N HN 0.010 nan 8.380 nan 0.000 0.426 72 V N 1.243 121.236 119.914 0.132 0.000 2.427 72 V HA -0.141 3.980 4.120 0.001 0.000 0.248 72 V C 2.506 178.751 176.094 0.252 0.000 1.051 72 V CA 1.227 63.629 62.300 0.170 0.000 1.048 72 V CB -0.407 31.505 31.823 0.149 0.000 0.666 72 V HN 0.280 nan 8.190 nan 0.000 0.456 73 R N 0.442 121.135 120.500 0.323 0.000 2.091 73 R HA -0.253 4.087 4.340 0.001 0.000 0.238 73 R C 2.380 178.719 176.300 0.066 0.000 1.136 73 R CA 2.128 58.296 56.100 0.114 0.000 0.959 73 R CB -0.169 30.171 30.300 0.065 0.000 0.856 73 R HN 0.401 nan 8.270 nan 0.000 0.437 74 K N 0.752 121.214 120.400 0.103 0.000 2.025 74 K HA -0.158 4.163 4.320 0.001 0.000 0.207 74 K C 2.116 178.772 176.600 0.093 0.000 1.049 74 K CA 1.693 58.032 56.287 0.087 0.000 0.933 74 K CB -0.270 32.284 32.500 0.090 0.000 0.714 74 K HN 0.076 nan 8.250 nan 0.000 0.438 75 R N -0.225 120.338 120.500 0.104 0.000 2.081 75 R HA -0.099 4.242 4.340 0.001 0.000 0.235 75 R C 2.032 178.418 176.300 0.144 0.000 1.131 75 R CA 1.522 57.690 56.100 0.113 0.000 0.960 75 R CB -0.456 29.902 30.300 0.097 0.000 0.856 75 R HN 0.285 nan 8.270 nan 0.000 0.436 76 A N 0.453 123.355 122.820 0.136 0.000 1.933 76 A HA -0.174 4.147 4.320 0.001 0.000 0.218 76 A C 2.180 179.883 177.584 0.199 0.000 1.175 76 A CA 1.841 53.983 52.037 0.176 0.000 0.628 76 A CB -0.660 18.429 19.000 0.149 0.000 0.814 76 A HN 0.625 nan 8.150 nan 0.000 0.444 77 S N -0.018 115.755 115.700 0.121 0.000 2.383 77 S HA -0.082 4.389 4.470 0.001 0.000 0.227 77 S C 1.887 176.531 174.600 0.074 0.000 1.026 77 S CA 1.424 59.677 58.200 0.089 0.000 0.981 77 S CB -0.668 62.569 63.200 0.062 0.000 0.818 77 S HN 0.450 nan 8.310 nan 0.000 0.472 78 L N -0.556 120.723 121.223 0.093 0.000 2.109 78 L HA 0.097 4.437 4.340 0.001 0.000 0.207 78 L C 2.462 179.380 176.870 0.080 0.000 1.086 78 L CA 1.323 56.205 54.840 0.069 0.000 0.760 78 L CB -0.563 41.543 42.059 0.078 0.000 0.910 78 L HN 0.307 nan 8.230 nan 0.000 0.437 79 F N 1.445 121.387 119.950 -0.013 0.000 2.171 79 F HA -0.194 4.334 4.527 0.001 0.000 0.300 79 F C 2.032 177.771 175.800 -0.102 0.000 1.090 79 F CA 1.604 59.581 58.000 -0.038 0.000 1.293 79 F CB 0.062 39.060 39.000 -0.003 0.000 1.013 79 F HN 0.038 nan 8.300 nan 0.000 0.486 80 I N -2.589 117.987 120.570 0.010 0.000 3.928 80 I HA 0.256 4.427 4.170 0.001 0.000 0.335 80 I C 0.548 176.517 176.117 -0.246 0.000 1.325 80 I CA 0.178 61.360 61.300 -0.197 0.000 1.107 80 I CB -0.641 37.235 38.000 -0.207 0.000 1.014 80 I HN 0.154 nan 8.210 nan 0.000 0.400 81 N N 1.949 120.555 118.700 -0.156 0.000 2.740 81 N HA -0.188 4.553 4.740 0.001 0.000 0.248 81 N C 0.055 175.469 175.510 -0.159 0.000 1.062 81 N CA 0.715 53.683 53.050 -0.138 0.000 0.704 81 N CB -0.951 37.448 38.487 -0.147 0.000 0.968 81 N HN 0.749 nan 8.380 nan 0.000 0.547 82 A N 0.073 122.805 122.820 -0.146 0.000 2.366 82 A HA 0.415 4.736 4.320 0.001 0.000 0.249 82 A C 1.395 178.982 177.584 0.005 0.000 1.084 82 A CA 0.144 52.120 52.037 -0.102 0.000 0.794 82 A CB 0.445 19.466 19.000 0.035 0.000 1.034 82 A HN 0.506 nan 8.150 nan 0.000 0.491 83 R N -0.116 120.417 120.500 0.055 0.000 2.115 83 R HA 0.017 4.358 4.340 0.001 0.000 0.230 83 R C 0.605 176.935 176.300 0.048 0.000 1.111 83 R CA 1.423 57.549 56.100 0.043 0.000 0.976 83 R CB -0.005 30.324 30.300 0.048 0.000 0.870 83 R HN 0.656 nan 8.270 nan 0.000 0.445 84 S N -2.096 113.645 115.700 0.068 0.000 2.556 84 S HA 0.487 4.957 4.470 0.001 0.000 0.271 84 S C 0.275 174.903 174.600 0.047 0.000 1.135 84 S CA -0.351 57.880 58.200 0.052 0.000 0.858 84 S CB 1.860 65.085 63.200 0.042 0.000 1.114 84 S HN 0.117 nan 8.310 nan 0.000 0.468 85 A N 2.402 125.245 122.820 0.038 0.000 2.019 85 A HA 0.014 4.335 4.320 0.001 0.000 0.219 85 A C 1.472 179.023 177.584 -0.054 0.000 1.164 85 A CA 1.786 53.833 52.037 0.016 0.000 0.644 85 A CB -0.782 18.247 19.000 0.049 0.000 0.805 85 A HN 0.899 nan 8.150 nan 0.000 0.449 86 E N -0.157 120.006 120.200 -0.062 0.000 2.511 86 E HA -0.046 4.305 4.350 0.001 0.000 0.196 86 E C 1.264 177.764 176.600 -0.167 0.000 1.066 86 E CA 0.474 56.772 56.400 -0.169 0.000 0.871 86 E CB 0.010 29.648 29.700 -0.104 0.000 0.863 86 E HN 0.723 nan 8.360 nan 0.000 0.520 87 E N -0.194 119.947 120.200 -0.098 0.000 2.479 87 E HA 0.033 4.384 4.350 0.001 0.000 0.193 87 E C -0.495 176.023 176.600 -0.136 0.000 1.049 87 E CA 0.001 56.324 56.400 -0.128 0.000 0.870 87 E CB 0.417 30.105 29.700 -0.020 0.000 0.944 87 E HN 0.066 nan 8.360 nan 0.000 0.492 88 L N 0.884 122.025 121.223 -0.138 0.000 2.322 88 L HA 0.293 4.634 4.340 0.001 0.000 0.281 88 L C -0.522 176.156 176.870 -0.321 0.000 1.014 88 L CA -0.681 54.052 54.840 -0.177 0.000 0.815 88 L CB 1.946 43.902 42.059 -0.172 0.000 1.247 88 L HN -0.256 nan 8.230 nan 0.000 0.421 89 V N 3.268 123.018 119.914 -0.274 0.000 2.495 89 V HA 0.432 4.553 4.120 0.001 0.000 0.298 89 V C -0.432 175.540 176.094 -0.203 0.000 1.031 89 V CA -0.653 61.518 62.300 -0.216 0.000 0.871 89 V CB 1.540 33.303 31.823 -0.100 0.000 0.988 89 V HN 0.352 nan 8.190 nan 0.000 0.432 90 F N 4.705 124.662 119.950 0.011 0.000 2.438 90 F HA 0.547 5.075 4.527 0.001 0.000 0.356 90 F C 0.523 176.344 175.800 0.035 0.000 1.099 90 F CA -0.129 57.877 58.000 0.009 0.000 1.185 90 F CB 1.157 40.177 39.000 0.034 0.000 1.115 90 F HN 0.385 nan 8.300 nan 0.000 0.526 91 V N 1.701 121.732 119.914 0.194 0.000 3.145 91 V HA 0.563 4.683 4.120 0.001 0.000 0.311 91 V C 0.903 177.071 176.094 0.122 0.000 1.238 91 V CA -1.149 61.239 62.300 0.146 0.000 1.066 91 V CB 1.727 33.605 31.823 0.092 0.000 1.144 91 V HN 0.685 nan 8.190 nan 0.000 0.465 92 R N 0.212 120.777 120.500 0.108 0.000 2.148 92 R HA 0.411 4.752 4.340 0.001 0.000 0.223 92 R C 0.710 177.059 176.300 0.083 0.000 1.088 92 R CA 1.426 57.579 56.100 0.089 0.000 0.985 92 R CB -0.083 30.268 30.300 0.084 0.000 0.880 92 R HN 1.306 nan 8.270 nan 0.000 0.451 93 G N -2.682 106.157 108.800 0.065 0.000 2.320 93 G HA2 -0.008 3.952 3.960 0.001 0.000 0.296 93 G HA3 -0.008 3.952 3.960 0.001 0.000 0.296 93 G C 0.047 174.956 174.900 0.014 0.000 1.306 93 G CA -0.153 44.984 45.100 0.061 0.000 0.836 93 G HN -0.054 nan 8.290 nan 0.000 0.517 94 T N 0.608 115.164 114.554 0.004 0.000 2.665 94 T HA -0.149 4.202 4.350 0.001 0.000 0.268 94 T C 2.608 177.284 174.700 -0.041 0.000 1.035 94 T CA 2.726 64.808 62.100 -0.031 0.000 1.151 94 T CB -0.545 68.296 68.868 -0.045 0.000 0.862 94 T HN 0.572 nan 8.240 nan 0.000 0.438 95 T N 1.428 115.970 114.554 -0.020 0.000 2.684 95 T HA -0.133 4.218 4.350 0.001 0.000 0.267 95 T C 1.911 176.589 174.700 -0.036 0.000 1.036 95 T CA 1.484 63.569 62.100 -0.024 0.000 1.148 95 T CB -0.299 68.586 68.868 0.028 0.000 0.863 95 T HN 0.537 nan 8.240 nan 0.000 0.436 96 E N 0.474 120.684 120.200 0.018 0.000 2.077 96 E HA -0.114 4.237 4.350 0.001 0.000 0.193 96 E C 2.485 179.064 176.600 -0.036 0.000 0.989 96 E CA 1.066 57.502 56.400 0.060 0.000 0.800 96 E CB -0.463 29.327 29.700 0.150 0.000 0.746 96 E HN 0.517 nan 8.360 nan 0.000 0.452 97 G N 1.556 110.325 108.800 -0.053 0.000 2.476 97 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 97 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 97 G C 1.595 176.371 174.900 -0.207 0.000 1.164 97 G CA 1.117 46.156 45.100 -0.103 0.000 0.768 97 G HN 0.267 nan 8.290 nan 0.000 0.560 98 I N 0.814 121.258 120.570 -0.210 0.000 2.226 98 I HA -0.181 3.990 4.170 0.001 0.000 0.245 98 I C 2.565 178.363 176.117 -0.531 0.000 1.100 98 I CA 0.870 61.980 61.300 -0.318 0.000 1.374 98 I CB -0.301 37.540 38.000 -0.264 0.000 1.057 98 I HN 0.150 nan 8.210 nan 0.000 0.413 99 N N 0.998 119.408 118.700 -0.482 0.000 2.166 99 N HA -0.174 4.567 4.740 0.001 0.000 0.186 99 N C 2.034 176.932 175.510 -1.019 0.000 1.019 99 N CA 1.201 53.878 53.050 -0.623 0.000 0.856 99 N CB -0.163 38.102 38.487 -0.370 0.000 0.993 99 N HN 0.361 nan 8.380 nan 0.000 0.426 100 L N 1.210 121.830 121.223 -1.005 0.000 2.017 100 L HA -0.148 4.193 4.340 0.001 0.000 0.208 100 L C 2.152 178.629 176.870 -0.656 0.000 1.073 100 L CA 1.061 55.264 54.840 -1.061 0.000 0.745 100 L CB -0.217 41.612 42.059 -0.383 0.000 0.894 100 L HN -0.111 nan 8.230 nan 0.000 0.432 101 V N 0.283 119.909 119.914 -0.480 0.000 2.295 101 V HA -0.293 3.828 4.120 0.001 0.000 0.246 101 V C 2.838 178.804 176.094 -0.214 0.000 1.049 101 V CA 1.722 63.800 62.300 -0.369 0.000 1.024 101 V CB -1.110 30.382 31.823 -0.550 0.000 0.648 101 V HN 0.610 nan 8.190 nan 0.000 0.447 102 A N 0.192 122.785 122.820 -0.379 0.000 1.940 102 A HA -0.281 4.040 4.320 0.001 0.000 0.219 102 A C 2.001 179.471 177.584 -0.189 0.000 1.176 102 A CA 2.590 54.456 52.037 -0.284 0.000 0.631 102 A CB -0.697 17.860 19.000 -0.738 0.000 0.814 102 A HN 0.703 nan 8.150 nan 0.000 0.446 103 N N -1.242 117.235 118.700 -0.372 0.000 2.245 103 N HA -0.047 4.694 4.740 0.001 0.000 0.185 103 N C 2.083 177.516 175.510 -0.128 0.000 1.036 103 N CA 1.216 54.107 53.050 -0.265 0.000 0.857 103 N CB -0.215 38.010 38.487 -0.437 0.000 1.015 103 N HN 0.401 nan 8.380 nan 0.000 0.436 104 S N -0.489 115.118 115.700 -0.154 0.000 2.356 104 S HA -0.155 4.316 4.470 0.001 0.000 0.223 104 S C 1.681 176.342 174.600 0.102 0.000 1.032 104 S CA 1.179 59.402 58.200 0.038 0.000 1.005 104 S CB -0.331 62.942 63.200 0.121 0.000 0.867 104 S HN 0.582 nan 8.310 nan 0.000 0.449 105 W N 1.467 122.728 121.300 -0.065 0.000 2.525 105 W HA 0.277 4.939 4.660 0.003 0.000 0.288 105 W C 2.275 178.807 176.519 0.021 0.000 1.200 105 W CA 0.794 58.146 57.345 0.012 0.000 1.349 105 W CB -0.780 28.696 29.460 0.026 0.000 1.102 105 W HN 0.321 nan 8.180 nan 0.000 0.558 106 G N 1.027 109.934 108.800 0.180 0.000 2.446 106 G HA2 -0.345 3.616 3.960 0.001 0.000 0.217 106 G HA3 -0.345 3.616 3.960 0.001 0.000 0.217 106 G C 1.372 176.190 174.900 -0.137 0.000 1.168 106 G CA 1.404 46.528 45.100 0.039 0.000 0.771 106 G HN 0.234 nan 8.290 nan 0.000 0.551 107 N N 1.032 119.685 118.700 -0.078 0.000 2.223 107 N HA -0.096 4.645 4.740 0.001 0.000 0.185 107 N C 2.448 177.888 175.510 -0.116 0.000 1.016 107 N CA 1.570 54.579 53.050 -0.067 0.000 0.863 107 N CB -0.261 38.215 38.487 -0.019 0.000 0.983 107 N HN 0.434 nan 8.380 nan 0.000 0.429 108 S N -0.845 114.750 115.700 -0.176 0.000 2.524 108 S HA 0.161 4.632 4.470 0.001 0.000 0.216 108 S C 1.095 175.516 174.600 -0.300 0.000 0.987 108 S CA 0.131 58.221 58.200 -0.183 0.000 0.909 108 S CB 0.069 63.193 63.200 -0.127 0.000 0.781 108 S HN 0.302 nan 8.310 nan 0.000 0.521 109 N N 0.199 118.584 118.700 -0.524 0.000 2.181 109 N HA 0.250 4.991 4.740 0.001 0.000 0.207 109 N C -0.966 174.288 175.510 -0.426 0.000 1.182 109 N CA 0.052 52.735 53.050 -0.612 0.000 0.893 109 N CB 1.265 38.923 38.487 -1.382 0.000 1.032 109 N HN 0.110 nan 8.380 nan 0.000 0.513 110 V N 1.684 121.410 119.914 -0.314 0.000 2.357 110 V HA 0.464 4.585 4.120 0.001 0.000 0.284 110 V C -0.019 176.023 176.094 -0.086 0.000 1.018 110 V CA -0.637 61.576 62.300 -0.145 0.000 0.841 110 V CB 1.408 33.193 31.823 -0.064 0.000 0.991 110 V HN 0.110 nan 8.190 nan 0.000 0.437 111 R N 2.422 122.888 120.500 -0.057 0.000 2.923 111 R HA 0.827 5.168 4.340 0.001 0.000 0.252 111 R C 0.013 176.302 176.300 -0.020 0.000 1.130 111 R CA -0.691 55.386 56.100 -0.037 0.000 1.043 111 R CB 1.384 31.663 30.300 -0.036 0.000 1.205 111 R HN 0.789 nan 8.270 nan 0.000 0.495 112 A N 0.431 123.243 122.820 -0.014 0.000 2.567 112 A HA 0.364 4.685 4.320 0.001 0.000 0.240 112 A C 1.155 178.735 177.584 -0.007 0.000 1.053 112 A CA 1.102 53.135 52.037 -0.008 0.000 0.755 112 A CB -0.799 18.198 19.000 -0.005 0.000 0.978 112 A HN 0.924 nan 8.150 nan 0.000 0.507 113 G N 2.037 110.833 108.800 -0.006 0.000 2.176 113 G HA2 -0.198 3.763 3.960 0.001 0.000 0.253 113 G HA3 -0.198 3.763 3.960 0.001 0.000 0.253 113 G C 0.013 174.909 174.900 -0.007 0.000 0.979 113 G CA 0.451 45.548 45.100 -0.005 0.000 0.641 113 G HN 0.824 nan 8.290 nan 0.000 0.530 114 D N 0.575 120.969 120.400 -0.009 0.000 2.423 114 D HA 0.555 5.196 4.640 0.001 0.000 0.255 114 D C 0.692 176.980 176.300 -0.019 0.000 1.174 114 D CA 0.323 54.317 54.000 -0.010 0.000 1.008 114 D CB 0.835 41.630 40.800 -0.009 0.000 1.101 114 D HN 0.692 nan 8.370 nan 0.000 0.516 115 N N -1.228 117.453 118.700 -0.031 0.000 2.405 115 N HA 0.672 5.413 4.740 0.001 0.000 0.285 115 N C -1.357 174.103 175.510 -0.083 0.000 1.262 115 N CA -0.707 52.306 53.050 -0.061 0.000 0.773 115 N CB 1.716 40.150 38.487 -0.090 0.000 1.490 115 N HN 0.259 nan 8.380 nan 0.000 0.486 116 I N 0.347 120.845 120.570 -0.120 0.000 2.619 116 I HA 0.412 4.583 4.170 0.001 0.000 0.292 116 I C -0.958 175.012 176.117 -0.244 0.000 1.100 116 I CA -0.832 60.356 61.300 -0.187 0.000 1.043 116 I CB 2.014 39.906 38.000 -0.180 0.000 1.239 116 I HN 0.458 nan 8.210 nan 0.000 0.420 117 I N 6.549 126.921 120.570 -0.329 0.000 2.378 117 I HA 0.502 4.672 4.170 0.001 0.000 0.291 117 I C -0.105 175.840 176.117 -0.288 0.000 0.992 117 I CA -0.532 60.570 61.300 -0.330 0.000 1.154 117 I CB 1.446 39.146 38.000 -0.501 0.000 1.315 117 I HN 0.474 nan 8.210 nan 0.000 0.448 118 I N 2.223 122.675 120.570 -0.197 0.000 3.522 118 I HA 0.778 4.949 4.170 0.001 0.000 0.292 118 I C -0.057 176.009 176.117 -0.085 0.000 1.147 118 I CA -0.661 60.561 61.300 -0.131 0.000 1.032 118 I CB 2.010 39.980 38.000 -0.051 0.000 1.337 118 I HN 0.546 nan 8.210 nan 0.000 0.496 119 S N -0.517 115.159 115.700 -0.041 0.000 2.677 119 S HA 0.337 4.808 4.470 0.001 0.000 0.304 119 S C 0.234 174.819 174.600 -0.024 0.000 1.108 119 S CA -0.579 57.597 58.200 -0.041 0.000 0.944 119 S CB 1.792 64.971 63.200 -0.034 0.000 1.127 119 S HN 0.820 nan 8.310 nan 0.000 0.511 120 Q N -0.043 119.725 119.800 -0.054 0.000 2.435 120 Q HA 0.086 4.427 4.340 0.001 0.000 0.207 120 Q C 1.619 177.599 176.000 -0.034 0.000 0.956 120 Q CA 0.910 56.682 55.803 -0.051 0.000 0.917 120 Q CB -0.323 28.345 28.738 -0.116 0.000 0.997 120 Q HN 0.889 nan 8.270 nan 0.000 0.497 121 M N -1.177 118.408 119.600 -0.026 0.000 2.495 121 M HA 0.253 4.734 4.480 0.001 0.000 0.237 121 M C -0.347 175.983 176.300 0.051 0.000 1.131 121 M CA -0.051 55.257 55.300 0.013 0.000 1.032 121 M CB 0.414 33.021 32.600 0.013 0.000 1.513 121 M HN -0.230 nan 8.290 nan 0.000 0.488 122 E N 2.277 122.516 120.200 0.065 0.000 2.415 122 E HA -0.024 4.327 4.350 0.001 0.000 0.262 122 E C -0.345 176.337 176.600 0.136 0.000 1.038 122 E CA 0.241 56.707 56.400 0.111 0.000 0.921 122 E CB 0.296 30.075 29.700 0.131 0.000 0.950 122 E HN 0.299 nan 8.360 nan 0.000 0.438 123 H N 1.971 121.068 119.070 0.044 0.000 2.679 123 H HA 0.028 4.584 4.556 0.001 0.000 0.369 123 H C 0.953 176.328 175.328 0.078 0.000 1.178 123 H CA 0.536 56.586 56.048 0.003 0.000 1.419 123 H CB 0.506 30.279 29.762 0.017 0.000 1.458 123 H HN 0.587 nan 8.280 nan 0.000 0.605 124 H N 2.449 121.515 119.070 -0.007 0.000 2.426 124 H HA -0.162 4.395 4.556 0.002 0.000 0.298 124 H C 1.979 177.414 175.328 0.178 0.000 1.107 124 H CA 1.014 57.096 56.048 0.057 0.000 1.298 124 H CB 0.294 30.024 29.762 -0.053 0.000 1.377 124 H HN 0.706 nan 8.280 nan 0.000 0.519 125 A N 1.143 124.286 122.820 0.539 0.000 1.978 125 A HA -0.211 4.110 4.320 0.001 0.000 0.220 125 A C 1.896 179.530 177.584 0.083 0.000 1.170 125 A CA 1.805 53.971 52.037 0.213 0.000 0.636 125 A CB -0.191 18.848 19.000 0.065 0.000 0.810 125 A HN 0.308 nan 8.150 nan 0.000 0.448 126 N N -1.167 117.637 118.700 0.173 0.000 2.320 126 N HA 0.369 5.109 4.740 0.001 0.000 0.237 126 N C 0.514 176.231 175.510 0.344 0.000 1.129 126 N CA 0.139 53.333 53.050 0.239 0.000 0.854 126 N CB 0.016 38.649 38.487 0.243 0.000 1.083 126 N HN 0.519 nan 8.380 nan 0.000 0.504 127 I N -2.210 118.489 120.570 0.215 0.000 3.814 127 I HA 0.021 4.191 4.170 0.001 0.000 0.264 127 I C 1.531 177.702 176.117 0.089 0.000 1.145 127 I CA 0.140 61.574 61.300 0.223 0.000 1.375 127 I CB 0.016 38.118 38.000 0.170 0.000 1.638 127 I HN -0.170 nan 8.210 nan 0.000 0.432 128 V N 2.468 122.380 119.914 -0.003 0.000 2.287 128 V HA -0.146 3.975 4.120 0.001 0.000 0.248 128 V C -0.627 175.379 176.094 -0.147 0.000 1.053 128 V CA 2.282 64.543 62.300 -0.065 0.000 1.027 128 V CB -2.035 29.751 31.823 -0.062 0.000 0.646 128 V HN 0.268 nan 8.190 nan 0.000 0.447 129 P HA -0.160 nan 4.420 nan 0.000 0.218 129 P C 1.249 178.274 177.300 -0.458 0.000 1.148 129 P CA 1.666 64.474 63.100 -0.487 0.000 0.822 129 P CB -0.135 31.079 31.700 -0.809 0.000 0.784 130 W N -0.254 121.024 121.300 -0.037 0.000 2.453 130 W HA -0.003 4.657 4.660 0.001 0.000 0.289 130 W C 2.539 179.042 176.519 -0.027 0.000 1.215 130 W CA 0.141 57.466 57.345 -0.032 0.000 1.297 130 W CB -0.954 28.487 29.460 -0.031 0.000 1.113 130 W HN -0.016 nan 8.180 nan 0.000 0.551 131 Q N 0.290 120.172 119.800 0.137 0.000 2.084 131 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 131 Q C 2.176 178.196 176.000 0.034 0.000 0.978 131 Q CA 1.770 57.614 55.803 0.068 0.000 0.844 131 Q CB -0.470 28.283 28.738 0.025 0.000 0.898 131 Q HN 0.408 nan 8.270 nan 0.000 0.426 132 M N 0.005 119.603 119.600 -0.003 0.000 2.099 132 M HA -0.166 4.315 4.480 0.001 0.000 0.262 132 M C 2.197 178.501 176.300 0.006 0.000 1.067 132 M CA 1.046 56.338 55.300 -0.014 0.000 1.124 132 M CB -0.316 32.256 32.600 -0.047 0.000 1.353 132 M HN 0.213 nan 8.290 nan 0.000 0.410 133 L N 0.186 121.421 121.223 0.021 0.000 2.012 133 L HA -0.192 4.149 4.340 0.001 0.000 0.210 133 L C 2.327 179.236 176.870 0.065 0.000 1.073 133 L CA 1.926 56.800 54.840 0.056 0.000 0.748 133 L CB -0.824 41.318 42.059 0.139 0.000 0.891 133 L HN 0.337 nan 8.230 nan 0.000 0.431 134 C N -0.240 119.110 119.300 0.083 0.000 2.413 134 C HA -0.124 4.337 4.460 0.001 0.000 0.277 134 C C 3.004 178.012 174.990 0.031 0.000 1.265 134 C CA 0.737 59.789 59.018 0.057 0.000 1.752 134 C CB -1.689 26.087 27.740 0.060 0.000 1.998 134 C HN 0.745 nan 8.230 nan 0.000 0.489 135 A N 0.309 123.144 122.820 0.025 0.000 1.929 135 A HA -0.124 4.197 4.320 0.001 0.000 0.216 135 A C 2.238 179.829 177.584 0.013 0.000 1.176 135 A CA 1.121 53.166 52.037 0.014 0.000 0.628 135 A CB -0.448 18.557 19.000 0.009 0.000 0.816 135 A HN 0.659 nan 8.150 nan 0.000 0.444 136 R N -0.490 120.019 120.500 0.015 0.000 2.075 136 R HA -0.091 4.250 4.340 0.001 0.000 0.232 136 R C 1.842 178.148 176.300 0.010 0.000 1.126 136 R CA 1.788 57.895 56.100 0.013 0.000 0.963 136 R CB -0.416 29.892 30.300 0.014 0.000 0.858 136 R HN 0.593 nan 8.270 nan 0.000 0.435 137 V N -3.409 116.511 119.914 0.010 0.000 3.621 137 V HA 0.431 4.552 4.120 0.001 0.000 0.285 137 V C 0.808 176.903 176.094 0.002 0.000 1.346 137 V CA 0.449 62.750 62.300 0.003 0.000 1.104 137 V CB 0.390 32.210 31.823 -0.004 0.000 0.913 137 V HN 0.424 nan 8.190 nan 0.000 0.432 138 G N 0.162 108.965 108.800 0.005 0.000 2.204 138 G HA2 0.096 4.057 3.960 0.001 0.000 0.244 138 G HA3 0.096 4.057 3.960 0.001 0.000 0.244 138 G C 0.139 175.040 174.900 0.002 0.000 1.062 138 G CA 0.352 45.454 45.100 0.003 0.000 0.798 138 G HN 1.619 nan 8.290 nan 0.000 0.496 139 A N -0.814 122.010 122.820 0.007 0.000 2.309 139 A HA 0.901 5.222 4.320 0.001 0.000 0.317 139 A C 0.138 177.724 177.584 0.003 0.000 1.134 139 A CA -0.126 51.913 52.037 0.004 0.000 0.866 139 A CB 1.295 20.300 19.000 0.008 0.000 1.329 139 A HN 0.592 nan 8.150 nan 0.000 0.477 140 E N 0.129 120.323 120.200 -0.009 0.000 2.183 140 E HA 0.463 4.814 4.350 0.001 0.000 0.271 140 E C -1.804 174.781 176.600 -0.027 0.000 0.919 140 E CA -0.678 55.712 56.400 -0.017 0.000 0.781 140 E CB 1.316 31.000 29.700 -0.027 0.000 1.140 140 E HN 0.468 nan 8.360 nan 0.000 0.402 141 L N 5.379 126.592 121.223 -0.017 0.000 2.259 141 L HA 0.345 4.686 4.340 0.001 0.000 0.288 141 L C -0.528 176.311 176.870 -0.052 0.000 1.051 141 L CA 0.037 54.862 54.840 -0.025 0.000 0.824 141 L CB 0.382 42.452 42.059 0.019 0.000 1.206 141 L HN 0.500 nan 8.230 nan 0.000 0.429 142 R N 3.327 123.770 120.500 -0.096 0.000 2.536 142 R HA 0.756 5.096 4.340 0.001 0.000 0.279 142 R C -1.215 175.016 176.300 -0.115 0.000 1.001 142 R CA -0.923 55.111 56.100 -0.109 0.000 1.027 142 R CB 1.915 32.123 30.300 -0.154 0.000 1.096 142 R HN 0.394 nan 8.270 nan 0.000 0.502 143 V N 4.039 123.898 119.914 -0.092 0.000 2.483 143 V HA 0.335 4.456 4.120 0.001 0.000 0.297 143 V C 0.035 176.082 176.094 -0.079 0.000 1.027 143 V CA -0.774 61.480 62.300 -0.078 0.000 0.855 143 V CB 1.709 33.505 31.823 -0.046 0.000 0.995 143 V HN 0.615 nan 8.190 nan 0.000 0.424 144 I N 8.047 128.567 120.570 -0.084 0.000 2.452 144 I HA 0.243 4.414 4.170 0.001 0.000 0.287 144 I C -1.906 174.164 176.117 -0.078 0.000 1.079 144 I CA -1.356 59.902 61.300 -0.070 0.000 1.387 144 I CB 1.057 39.023 38.000 -0.058 0.000 1.404 144 I HN 0.413 nan 8.210 nan 0.000 0.522 145 P HA 0.273 nan 4.420 nan 0.000 0.276 145 P C -0.668 176.519 177.300 -0.188 0.000 1.252 145 P CA -0.433 62.597 63.100 -0.117 0.000 0.802 145 P CB 1.025 32.689 31.700 -0.060 0.000 1.035 146 L N 1.153 122.146 121.223 -0.383 0.000 2.375 146 L HA 0.355 4.696 4.340 0.001 0.000 0.268 146 L C 0.906 177.558 176.870 -0.363 0.000 1.058 146 L CA -0.591 53.935 54.840 -0.524 0.000 0.803 146 L CB 0.615 41.976 42.059 -1.163 0.000 1.212 146 L HN 0.360 nan 8.230 nan 0.000 0.451 147 N N 1.294 119.890 118.700 -0.173 0.000 2.489 147 N HA 0.259 5.000 4.740 0.001 0.000 0.284 147 N C -1.927 173.655 175.510 0.120 0.000 1.158 147 N CA -1.255 51.802 53.050 0.011 0.000 0.965 147 N CB 1.324 39.826 38.487 0.026 0.000 1.195 147 N HN 0.323 nan 8.380 nan 0.000 0.506 148 P HA -0.182 nan 4.420 nan 0.000 0.216 148 P C 0.303 177.812 177.300 0.349 0.000 1.150 148 P CA 1.225 64.523 63.100 0.330 0.000 0.843 148 P CB 0.028 31.855 31.700 0.213 0.000 0.787 149 D N -1.565 118.960 120.400 0.208 0.000 2.352 149 D HA 0.041 4.682 4.640 0.001 0.000 0.232 149 D C 1.314 177.724 176.300 0.183 0.000 1.055 149 D CA 0.663 54.765 54.000 0.170 0.000 0.891 149 D CB -1.151 39.706 40.800 0.094 0.000 0.897 149 D HN 0.244 nan 8.370 nan 0.000 0.529 150 G N -0.070 108.870 108.800 0.233 0.000 2.141 150 G HA2 -0.250 3.711 3.960 0.001 0.000 0.242 150 G HA3 -0.250 3.711 3.960 0.001 0.000 0.242 150 G C 0.394 175.338 174.900 0.073 0.000 0.982 150 G CA 0.545 45.763 45.100 0.197 0.000 0.662 150 G HN 0.819 nan 8.290 nan 0.000 0.527 151 T N -1.145 113.431 114.554 0.038 0.000 2.943 151 T HA 0.741 5.092 4.350 0.001 0.000 0.284 151 T C 0.564 175.245 174.700 -0.031 0.000 1.015 151 T CA -0.968 61.139 62.100 0.011 0.000 1.042 151 T CB 2.078 70.958 68.868 0.020 0.000 1.055 151 T HN 0.485 nan 8.240 nan 0.000 0.500 152 L N 1.679 122.885 121.223 -0.029 0.000 2.426 152 L HA 0.215 4.556 4.340 0.001 0.000 0.271 152 L C 1.128 177.979 176.870 -0.033 0.000 1.169 152 L CA -0.422 54.390 54.840 -0.046 0.000 0.836 152 L CB 0.376 42.419 42.059 -0.026 0.000 1.112 152 L HN 0.719 nan 8.230 nan 0.000 0.465 153 Q N 3.151 122.925 119.800 -0.045 0.000 2.641 153 Q HA 0.097 4.438 4.340 0.001 0.000 0.225 153 Q C 0.899 176.895 176.000 -0.007 0.000 1.309 153 Q CA -0.157 55.633 55.803 -0.022 0.000 0.935 153 Q CB 0.327 29.050 28.738 -0.025 0.000 1.557 153 Q HN 0.619 nan 8.270 nan 0.000 0.563 154 L N 1.093 122.317 121.223 0.002 0.000 2.362 154 L HA -0.172 4.169 4.340 0.001 0.000 0.219 154 L C 1.344 178.227 176.870 0.020 0.000 1.134 154 L CA 0.703 55.551 54.840 0.014 0.000 0.807 154 L CB -0.043 42.023 42.059 0.011 0.000 0.927 154 L HN 0.436 nan 8.230 nan 0.000 0.447 155 E N -0.395 119.814 120.200 0.015 0.000 2.338 155 E HA -0.155 4.196 4.350 0.001 0.000 0.197 155 E C 2.100 178.713 176.600 0.022 0.000 1.007 155 E CA 1.434 57.844 56.400 0.018 0.000 0.849 155 E CB -0.294 29.414 29.700 0.013 0.000 0.774 155 E HN 0.497 nan 8.360 nan 0.000 0.506 156 T N -1.806 112.759 114.554 0.019 0.000 3.113 156 T HA 0.062 4.413 4.350 0.001 0.000 0.256 156 T C 1.738 176.460 174.700 0.037 0.000 1.131 156 T CA 0.100 62.211 62.100 0.018 0.000 1.074 156 T CB -0.189 68.678 68.868 -0.001 0.000 0.944 156 T HN 0.078 nan 8.240 nan 0.000 0.516 157 L N 0.950 122.216 121.223 0.072 0.000 2.079 157 L HA -0.005 4.336 4.340 0.001 0.000 0.210 157 L C -0.378 176.598 176.870 0.178 0.000 1.081 157 L CA 1.366 56.303 54.840 0.161 0.000 0.752 157 L CB -1.773 40.411 42.059 0.207 0.000 0.896 157 L HN 0.250 nan 8.230 nan 0.000 0.433 158 P HA -0.162 nan 4.420 nan 0.000 0.218 158 P C 1.645 178.989 177.300 0.074 0.000 1.148 158 P CA 1.785 64.945 63.100 0.099 0.000 0.822 158 P CB -0.223 31.517 31.700 0.067 0.000 0.784 159 T N -3.946 110.634 114.554 0.044 0.000 3.043 159 T HA 0.058 4.409 4.350 0.001 0.000 0.263 159 T C 1.681 176.374 174.700 -0.013 0.000 1.094 159 T CA 0.609 62.719 62.100 0.016 0.000 1.127 159 T CB -0.953 67.918 68.868 0.004 0.000 0.905 159 T HN 0.031 nan 8.240 nan 0.000 0.490 160 L N -1.434 119.771 121.223 -0.029 0.000 2.253 160 L HA 0.410 4.751 4.340 0.001 0.000 0.205 160 L C 0.488 177.216 176.870 -0.237 0.000 1.078 160 L CA 0.019 54.774 54.840 -0.142 0.000 0.805 160 L CB -0.226 41.712 42.059 -0.202 0.000 0.963 160 L HN 0.151 nan 8.230 nan 0.000 0.459 161 F N 1.423 121.261 119.950 -0.186 0.000 2.427 161 F HA 0.191 4.718 4.527 0.001 0.000 0.352 161 F C 0.366 175.982 175.800 -0.308 0.000 1.100 161 F CA -0.494 57.291 58.000 -0.357 0.000 1.191 161 F CB 0.699 39.288 39.000 -0.685 0.000 1.128 161 F HN 0.127 nan 8.300 nan 0.000 0.533 162 D N 0.380 120.742 120.400 -0.063 0.000 2.895 162 D HA 0.114 4.755 4.640 0.001 0.000 0.320 162 D C 0.376 176.744 176.300 0.113 0.000 1.249 162 D CA -0.643 53.383 54.000 0.043 0.000 0.997 162 D CB 0.118 40.935 40.800 0.027 0.000 1.430 162 D HN 0.333 nan 8.370 nan 0.000 0.558 163 E N 0.154 120.426 120.200 0.121 0.000 2.347 163 E HA -0.119 4.232 4.350 0.001 0.000 0.196 163 E C 0.643 177.296 176.600 0.088 0.000 1.008 163 E CA 0.875 57.350 56.400 0.125 0.000 0.852 163 E CB -0.228 29.528 29.700 0.093 0.000 0.783 163 E HN 0.465 nan 8.360 nan 0.000 0.505 164 K N 0.970 121.402 120.400 0.054 0.000 2.374 164 K HA 0.122 4.443 4.320 0.001 0.000 0.196 164 K C 0.005 176.621 176.600 0.027 0.000 1.023 164 K CA 0.075 56.383 56.287 0.035 0.000 1.103 164 K CB 0.461 32.969 32.500 0.013 0.000 0.848 164 K HN -0.014 nan 8.250 nan 0.000 0.528 165 T N 2.349 116.920 114.554 0.030 0.000 2.769 165 T HA 0.126 4.477 4.350 0.001 0.000 0.293 165 T C 1.109 175.859 174.700 0.083 0.000 0.931 165 T CA -0.057 62.041 62.100 -0.004 0.000 1.139 165 T CB 0.805 69.637 68.868 -0.060 0.000 0.881 165 T HN 0.022 nan 8.240 nan 0.000 0.532 166 R N 1.705 122.253 120.500 0.080 0.000 2.206 166 R HA 0.323 4.663 4.340 0.001 0.000 0.198 166 R C 0.039 176.508 176.300 0.281 0.000 0.986 166 R CA 0.098 56.319 56.100 0.201 0.000 1.029 166 R CB -0.173 30.236 30.300 0.182 0.000 0.966 166 R HN 0.460 nan 8.270 nan 0.000 0.487 167 L N 0.118 121.404 121.223 0.106 0.000 2.505 167 L HA 0.439 4.780 4.340 0.001 0.000 0.259 167 L C -1.950 174.819 176.870 -0.167 0.000 0.952 167 L CA -0.980 53.851 54.840 -0.014 0.000 0.840 167 L CB 2.056 44.062 42.059 -0.089 0.000 1.358 167 L HN -0.128 nan 8.230 nan 0.000 0.409 168 L N 4.448 125.591 121.223 -0.134 0.000 2.305 168 L HA 0.926 5.267 4.340 0.001 0.000 0.284 168 L C -0.769 175.963 176.870 -0.230 0.000 1.013 168 L CA -0.104 54.640 54.840 -0.159 0.000 0.819 168 L CB 1.291 43.376 42.059 0.043 0.000 1.227 168 L HN 0.758 nan 8.230 nan 0.000 0.417 169 A N 5.917 128.537 122.820 -0.334 0.000 2.291 169 A HA 0.779 5.100 4.320 0.001 0.000 0.311 169 A C -1.099 176.411 177.584 -0.123 0.000 1.224 169 A CA -0.393 51.468 52.037 -0.293 0.000 0.821 169 A CB 0.596 19.243 19.000 -0.589 0.000 1.172 169 A HN 0.736 nan 8.150 nan 0.000 0.494 170 I N 1.442 121.983 120.570 -0.049 0.000 2.722 170 I HA 0.508 4.679 4.170 0.001 0.000 0.295 170 I C 0.010 176.130 176.117 0.005 0.000 1.161 170 I CA 0.182 61.471 61.300 -0.018 0.000 1.032 170 I CB 2.447 40.431 38.000 -0.027 0.000 1.244 170 I HN 0.518 nan 8.210 nan 0.000 0.421 171 T N 4.326 118.899 114.554 0.032 0.000 2.869 171 T HA 0.200 4.551 4.350 0.001 0.000 0.295 171 T C 0.982 175.739 174.700 0.096 0.000 0.987 171 T CA 0.571 62.705 62.100 0.056 0.000 1.109 171 T CB 0.280 69.192 68.868 0.073 0.000 0.932 171 T HN 0.748 nan 8.240 nan 0.000 0.518 172 H N 2.968 122.038 119.070 0.001 0.000 2.299 172 H HA 0.226 4.783 4.556 0.002 0.000 0.302 172 H C 0.224 175.592 175.328 0.067 0.000 1.078 172 H CA 0.873 56.950 56.048 0.048 0.000 1.323 172 H CB 0.401 30.205 29.762 0.069 0.000 1.381 172 H HN 0.310 nan 8.280 nan 0.000 0.498 173 V N 0.738 120.775 119.914 0.205 0.000 2.623 173 V HA 0.098 4.219 4.120 0.001 0.000 0.304 173 V C -0.482 175.660 176.094 0.080 0.000 1.054 173 V CA -0.797 61.569 62.300 0.109 0.000 0.882 173 V CB 1.622 33.471 31.823 0.043 0.000 1.002 173 V HN 0.317 nan 8.190 nan 0.000 0.424 174 S N 3.653 119.395 115.700 0.070 0.000 2.537 174 S HA 0.036 4.506 4.470 0.001 0.000 0.286 174 S C 1.471 176.104 174.600 0.054 0.000 1.299 174 S CA -0.007 58.231 58.200 0.064 0.000 1.067 174 S CB 0.307 63.542 63.200 0.058 0.000 0.864 174 S HN 0.935 nan 8.310 nan 0.000 0.494 175 N N 4.641 123.384 118.700 0.072 0.000 2.512 175 N HA -0.075 4.666 4.740 0.001 0.000 0.183 175 N C 1.014 176.528 175.510 0.007 0.000 1.073 175 N CA 0.893 53.983 53.050 0.066 0.000 0.911 175 N CB -0.185 38.385 38.487 0.137 0.000 0.964 175 N HN 0.406 nan 8.380 nan 0.000 0.447 176 V N 0.351 120.259 119.914 -0.010 0.000 2.854 176 V HA 0.141 4.262 4.120 0.001 0.000 0.236 176 V C 2.297 178.363 176.094 -0.047 0.000 1.157 176 V CA 0.277 62.522 62.300 -0.092 0.000 1.187 176 V CB -0.131 31.651 31.823 -0.069 0.000 0.949 176 V HN 0.072 nan 8.190 nan 0.000 0.488 177 L N 0.593 121.823 121.223 0.011 0.000 2.209 177 L HA 0.317 4.658 4.340 0.001 0.000 0.207 177 L C 1.918 178.800 176.870 0.020 0.000 1.094 177 L CA 1.188 56.051 54.840 0.038 0.000 0.790 177 L CB -0.549 41.560 42.059 0.082 0.000 0.932 177 L HN 0.573 nan 8.230 nan 0.000 0.447 178 G N 0.012 108.818 108.800 0.010 0.000 2.179 178 G HA2 -0.265 3.696 3.960 0.001 0.000 0.260 178 G HA3 -0.265 3.696 3.960 0.001 0.000 0.260 178 G C 0.373 175.278 174.900 0.008 0.000 0.977 178 G CA 0.348 45.441 45.100 -0.012 0.000 0.641 178 G HN 0.290 nan 8.290 nan 0.000 0.533 179 T N 0.686 115.260 114.554 0.034 0.000 2.928 179 T HA 0.382 4.733 4.350 0.001 0.000 0.305 179 T C 0.311 175.049 174.700 0.064 0.000 1.035 179 T CA 0.703 62.830 62.100 0.045 0.000 1.145 179 T CB 1.632 70.530 68.868 0.051 0.000 0.963 179 T HN 0.486 nan 8.240 nan 0.000 0.545 180 E N 3.337 123.581 120.200 0.074 0.000 2.134 180 E HA 0.148 4.499 4.350 0.001 0.000 0.278 180 E C -0.277 176.390 176.600 0.112 0.000 0.959 180 E CA -0.841 55.637 56.400 0.131 0.000 0.783 180 E CB 0.446 30.237 29.700 0.153 0.000 1.095 180 E HN 0.438 nan 8.360 nan 0.000 0.399 181 N N 4.745 123.520 118.700 0.124 0.000 2.525 181 N HA 0.157 4.898 4.740 0.001 0.000 0.271 181 N C -2.200 173.337 175.510 0.045 0.000 1.194 181 N CA -1.441 51.649 53.050 0.066 0.000 0.964 181 N CB 0.884 39.398 38.487 0.046 0.000 1.126 181 N HN 0.445 nan 8.380 nan 0.000 0.452 182 P HA 0.125 nan 4.420 nan 0.000 0.237 182 P C 0.873 178.155 177.300 -0.031 0.000 1.788 182 P CA -0.002 63.094 63.100 -0.005 0.000 1.061 182 P CB -0.107 31.588 31.700 -0.007 0.000 1.967 183 L N 1.405 122.595 121.223 -0.055 0.000 2.012 183 L HA -0.231 4.110 4.340 0.001 0.000 0.210 183 L C 2.617 179.434 176.870 -0.088 0.000 1.073 183 L CA 1.977 56.762 54.840 -0.092 0.000 0.748 183 L CB -1.221 40.732 42.059 -0.177 0.000 0.891 183 L HN 0.160 nan 8.230 nan 0.000 0.431 184 A N 0.146 122.919 122.820 -0.077 0.000 1.892 184 A HA -0.259 4.062 4.320 0.001 0.000 0.218 184 A C 2.116 179.652 177.584 -0.079 0.000 1.188 184 A CA 2.167 54.160 52.037 -0.074 0.000 0.631 184 A CB -0.487 18.480 19.000 -0.055 0.000 0.822 184 A HN 0.423 nan 8.150 nan 0.000 0.447 185 E N -0.548 119.611 120.200 -0.067 0.000 2.107 185 E HA -0.062 4.289 4.350 0.001 0.000 0.191 185 E C 2.073 178.620 176.600 -0.088 0.000 0.982 185 E CA 1.327 57.687 56.400 -0.068 0.000 0.809 185 E CB -0.346 29.325 29.700 -0.049 0.000 0.756 185 E HN 0.682 nan 8.360 nan 0.000 0.459 186 M N -0.170 119.382 119.600 -0.079 0.000 2.159 186 M HA -0.097 4.384 4.480 0.001 0.000 0.263 186 M C 2.049 178.262 176.300 -0.145 0.000 1.063 186 M CA 1.259 56.510 55.300 -0.082 0.000 1.110 186 M CB -0.256 32.328 32.600 -0.028 0.000 1.374 186 M HN 0.094 nan 8.290 nan 0.000 0.411 187 I N -0.356 120.108 120.570 -0.177 0.000 2.252 187 I HA -0.244 3.927 4.170 0.001 0.000 0.245 187 I C 2.346 178.228 176.117 -0.392 0.000 1.102 187 I CA 1.235 62.339 61.300 -0.327 0.000 1.385 187 I CB -0.564 37.253 38.000 -0.305 0.000 1.064 187 I HN 0.288 nan 8.210 nan 0.000 0.414 188 T N 1.261 115.686 114.554 -0.215 0.000 2.684 188 T HA -0.210 4.141 4.350 0.001 0.000 0.267 188 T C 1.873 176.483 174.700 -0.149 0.000 1.036 188 T CA 1.532 63.552 62.100 -0.134 0.000 1.148 188 T CB -0.377 68.440 68.868 -0.084 0.000 0.863 188 T HN 0.190 nan 8.240 nan 0.000 0.436 189 L N 1.454 122.560 121.223 -0.195 0.000 2.012 189 L HA -0.023 4.318 4.340 0.001 0.000 0.210 189 L C 2.626 179.292 176.870 -0.340 0.000 1.073 189 L CA 2.131 56.813 54.840 -0.263 0.000 0.748 189 L CB -1.096 40.774 42.059 -0.315 0.000 0.891 189 L HN 0.232 nan 8.230 nan 0.000 0.431 190 A N -1.371 121.205 122.820 -0.406 0.000 1.883 190 A HA -0.281 4.040 4.320 0.001 0.000 0.217 190 A C 2.182 179.798 177.584 0.054 0.000 1.186 190 A CA 2.022 53.910 52.037 -0.247 0.000 0.624 190 A CB -1.228 17.762 19.000 -0.016 0.000 0.822 190 A HN 0.752 nan 8.150 nan 0.000 0.444 191 H N -0.883 118.167 119.070 -0.033 0.000 2.457 191 H HA -0.091 4.466 4.556 0.001 0.000 0.294 191 H C 2.244 177.547 175.328 -0.042 0.000 1.064 191 H CA 1.025 57.063 56.048 -0.016 0.000 1.330 191 H CB 0.060 29.801 29.762 -0.034 0.000 1.395 191 H HN 0.640 nan 8.280 nan 0.000 0.541 192 Q N -0.046 119.759 119.800 0.008 0.000 2.226 192 Q HA -0.147 4.194 4.340 0.001 0.000 0.204 192 Q C 1.054 176.918 176.000 -0.225 0.000 0.975 192 Q CA 1.188 56.906 55.803 -0.142 0.000 0.866 192 Q CB 0.081 28.669 28.738 -0.249 0.000 0.915 192 Q HN 0.702 nan 8.270 nan 0.000 0.440 193 H N -1.457 117.608 119.070 -0.008 0.000 2.539 193 H HA 0.194 4.751 4.556 0.001 0.000 0.269 193 H C 1.039 176.421 175.328 0.091 0.000 0.980 193 H CA 0.532 56.611 56.048 0.052 0.000 1.152 193 H CB 0.581 30.414 29.762 0.118 0.000 1.407 193 H HN 0.408 nan 8.280 nan 0.000 0.564 194 G N 0.016 108.920 108.800 0.172 0.000 2.148 194 G HA2 -0.273 3.687 3.960 0.001 0.000 0.254 194 G HA3 -0.273 3.687 3.960 0.001 0.000 0.254 194 G C 0.416 175.447 174.900 0.218 0.000 0.981 194 G CA 0.158 45.350 45.100 0.153 0.000 0.670 194 G HN 0.687 nan 8.290 nan 0.000 0.528 195 A N -0.143 122.849 122.820 0.285 0.000 2.316 195 A HA 0.722 5.043 4.320 0.001 0.000 0.284 195 A C 0.551 178.312 177.584 0.295 0.000 1.115 195 A CA -0.246 51.970 52.037 0.297 0.000 0.812 195 A CB 0.748 19.960 19.000 0.354 0.000 1.064 195 A HN 0.177 nan 8.150 nan 0.000 0.489 196 K N 0.414 120.949 120.400 0.224 0.000 2.090 196 K HA 0.581 4.902 4.320 0.001 0.000 0.250 196 K C -0.741 175.898 176.600 0.066 0.000 1.004 196 K CA -0.484 55.871 56.287 0.114 0.000 0.919 196 K CB 1.399 33.844 32.500 -0.091 0.000 1.045 196 K HN 0.354 nan 8.250 nan 0.000 0.471 197 V N 2.334 122.277 119.914 0.048 0.000 2.483 197 V HA 0.361 4.482 4.120 0.001 0.000 0.297 197 V C -0.502 175.673 176.094 0.135 0.000 1.027 197 V CA -0.989 61.328 62.300 0.029 0.000 0.855 197 V CB 1.718 33.517 31.823 -0.038 0.000 0.995 197 V HN 0.595 nan 8.190 nan 0.000 0.424 198 L N 5.876 127.167 121.223 0.113 0.000 2.282 198 L HA 0.753 5.094 4.340 0.001 0.000 0.288 198 L C -0.818 176.083 176.870 0.052 0.000 1.033 198 L CA -0.296 54.648 54.840 0.175 0.000 0.807 198 L CB 1.576 43.662 42.059 0.045 0.000 1.209 198 L HN 0.479 nan 8.230 nan 0.000 0.423 199 V N 3.850 123.786 119.914 0.037 0.000 2.398 199 V HA 0.254 4.374 4.120 0.001 0.000 0.286 199 V C -0.459 175.492 176.094 -0.239 0.000 1.026 199 V CA -0.622 61.619 62.300 -0.099 0.000 0.868 199 V CB 1.546 33.298 31.823 -0.119 0.000 0.982 199 V HN 0.690 nan 8.190 nan 0.000 0.443 200 D N 4.036 124.352 120.400 -0.140 0.000 2.393 200 D HA 0.269 4.910 4.640 0.001 0.000 0.232 200 D C 0.895 177.095 176.300 -0.168 0.000 1.192 200 D CA -0.065 53.858 54.000 -0.128 0.000 0.882 200 D CB 1.338 42.127 40.800 -0.019 0.000 1.038 200 D HN 0.665 nan 8.370 nan 0.000 0.499 201 G N 2.534 111.130 108.800 -0.339 0.000 3.523 201 G HA2 0.276 4.237 3.960 0.001 0.000 0.270 201 G HA3 0.276 4.237 3.960 0.001 0.000 0.270 201 G C 1.242 176.159 174.900 0.028 0.000 1.134 201 G CA 0.293 45.304 45.100 -0.147 0.000 0.825 201 G HN 0.539 nan 8.290 nan 0.000 0.534 202 A N 0.233 123.056 122.820 0.006 0.000 1.978 202 A HA -0.067 4.253 4.320 0.001 0.000 0.220 202 A C 2.072 179.630 177.584 -0.042 0.000 1.170 202 A CA 1.151 53.193 52.037 0.008 0.000 0.636 202 A CB 0.018 18.983 19.000 -0.058 0.000 0.810 202 A HN 0.329 nan 8.150 nan 0.000 0.448 203 Q N -1.663 118.115 119.800 -0.036 0.000 2.198 203 Q HA 0.415 4.756 4.340 0.001 0.000 0.209 203 Q C 1.459 177.427 176.000 -0.053 0.000 0.848 203 Q CA 0.691 56.476 55.803 -0.030 0.000 0.974 203 Q CB 0.537 29.301 28.738 0.044 0.000 1.115 203 Q HN 0.645 nan 8.270 nan 0.000 0.494 204 A N 0.293 123.014 122.820 -0.165 0.000 1.963 204 A HA 0.008 4.329 4.320 0.001 0.000 0.207 204 A C 1.969 179.287 177.584 -0.443 0.000 1.243 204 A CA 0.885 52.691 52.037 -0.386 0.000 0.728 204 A CB -0.350 18.224 19.000 -0.709 0.000 0.895 204 A HN 0.188 nan 8.150 nan 0.000 0.467 205 V N -0.924 118.810 119.914 -0.299 0.000 2.720 205 V HA -0.186 3.935 4.120 0.001 0.000 0.256 205 V C 2.071 178.041 176.094 -0.207 0.000 1.082 205 V CA 1.915 64.048 62.300 -0.278 0.000 1.101 205 V CB -1.102 30.474 31.823 -0.412 0.000 0.693 205 V HN 0.640 nan 8.190 nan 0.000 0.479 206 M N -0.655 118.750 119.600 -0.326 0.000 2.556 206 M HA 0.151 4.632 4.480 0.001 0.000 0.245 206 M C 1.590 177.697 176.300 -0.321 0.000 1.128 206 M CA 1.425 56.568 55.300 -0.262 0.000 1.069 206 M CB -1.266 31.103 32.600 -0.385 0.000 1.469 206 M HN 0.456 nan 8.290 nan 0.000 0.494 207 H N 0.474 119.443 119.070 -0.168 0.000 2.604 207 H HA 0.268 4.825 4.556 0.001 0.000 0.273 207 H C -0.105 175.156 175.328 -0.112 0.000 0.971 207 H CA 1.002 56.961 56.048 -0.148 0.000 1.249 207 H CB 0.168 29.831 29.762 -0.166 0.000 1.449 207 H HN 0.702 nan 8.280 nan 0.000 0.512 208 H N -3.034 116.036 119.070 -0.001 0.000 2.967 208 H HA 0.453 5.010 4.556 0.001 0.000 0.318 208 H C -3.179 172.071 175.328 -0.129 0.000 1.375 208 H CA -2.333 53.683 56.048 -0.053 0.000 1.132 208 H CB 0.230 29.967 29.762 -0.042 0.000 1.848 208 H HN -0.255 nan 8.280 nan 0.000 0.524 209 P HA 0.167 nan 4.420 nan 0.000 0.267 209 P C -0.688 176.605 177.300 -0.013 0.000 1.200 209 P CA -0.266 62.768 63.100 -0.110 0.000 0.772 209 P CB 0.653 32.290 31.700 -0.105 0.000 0.855 210 V N 3.003 122.796 119.914 -0.202 0.000 2.540 210 V HA 0.371 4.492 4.120 0.001 0.000 0.302 210 V C -0.502 175.449 176.094 -0.239 0.000 1.035 210 V CA -0.206 62.001 62.300 -0.154 0.000 0.873 210 V CB 2.020 33.691 31.823 -0.253 0.000 0.992 210 V HN 0.504 nan 8.190 nan 0.000 0.428 211 D N 3.139 123.428 120.400 -0.186 0.000 2.421 211 D HA 0.255 4.896 4.640 0.001 0.000 0.254 211 D C 0.639 176.799 176.300 -0.234 0.000 1.238 211 D CA -0.330 53.548 54.000 -0.204 0.000 0.919 211 D CB 2.037 42.758 40.800 -0.131 0.000 1.152 211 D HN 0.335 nan 8.370 nan 0.000 0.552 212 V N 1.818 121.519 119.914 -0.355 0.000 2.809 212 V HA -0.115 4.006 4.120 0.001 0.000 0.256 212 V C 1.757 177.730 176.094 -0.201 0.000 1.080 212 V CA 1.102 63.177 62.300 -0.376 0.000 1.102 212 V CB -0.550 30.808 31.823 -0.776 0.000 0.705 212 V HN 0.415 nan 8.190 nan 0.000 0.475 213 Q N 0.949 120.653 119.800 -0.161 0.000 2.083 213 Q HA 0.085 4.426 4.340 0.001 0.000 0.198 213 Q C 2.489 178.456 176.000 -0.054 0.000 0.969 213 Q CA 1.594 57.353 55.803 -0.073 0.000 0.838 213 Q CB -0.342 28.359 28.738 -0.062 0.000 0.900 213 Q HN 0.737 nan 8.270 nan 0.000 0.436 214 A N 0.771 123.549 122.820 -0.070 0.000 1.930 214 A HA -0.108 4.213 4.320 0.001 0.000 0.217 214 A C 2.017 179.572 177.584 -0.047 0.000 1.175 214 A CA 0.922 52.927 52.037 -0.053 0.000 0.627 214 A CB -0.485 18.481 19.000 -0.058 0.000 0.815 214 A HN 0.254 nan 8.150 nan 0.000 0.443 215 L N -1.657 119.530 121.223 -0.059 0.000 2.109 215 L HA -0.098 4.243 4.340 0.001 0.000 0.207 215 L C 1.153 178.011 176.870 -0.020 0.000 1.086 215 L CA 1.132 55.944 54.840 -0.048 0.000 0.760 215 L CB -0.335 41.694 42.059 -0.050 0.000 0.910 215 L HN 0.485 nan 8.230 nan 0.000 0.437 216 D N -0.801 119.604 120.400 0.008 0.000 3.068 216 D HA -0.168 4.472 4.640 0.001 0.000 0.218 216 D C 0.259 176.636 176.300 0.128 0.000 1.145 216 D CA 0.586 54.631 54.000 0.075 0.000 0.896 216 D CB -1.316 39.540 40.800 0.095 0.000 1.105 216 D HN 0.478 nan 8.370 nan 0.000 0.423 217 C N -1.208 118.150 119.300 0.098 0.000 2.689 217 C HA 0.379 4.840 4.460 0.001 0.000 0.409 217 C C 1.862 176.924 174.990 0.121 0.000 1.293 217 C CA -0.406 58.683 59.018 0.118 0.000 2.136 217 C CB 0.875 28.732 27.740 0.196 0.000 2.719 217 C HN 0.245 nan 8.230 nan 0.000 0.644 218 D N 0.265 120.638 120.400 -0.045 0.000 2.240 218 D HA 0.114 4.755 4.640 0.001 0.000 0.206 218 D C -0.076 175.790 176.300 -0.724 0.000 0.963 218 D CA 1.479 55.202 54.000 -0.461 0.000 0.863 218 D CB 0.114 40.467 40.800 -0.746 0.000 0.973 218 D HN 0.643 nan 8.370 nan 0.000 0.501 219 F N -0.537 119.415 119.950 0.002 0.000 2.578 219 F HA 0.420 4.948 4.527 0.001 0.000 0.311 219 F C -0.744 175.194 175.800 0.230 0.000 1.094 219 F CA -1.276 56.732 58.000 0.012 0.000 0.923 219 F CB 1.625 40.555 39.000 -0.117 0.000 1.230 219 F HN -0.291 nan 8.300 nan 0.000 0.450 220 Y N 2.570 123.106 120.300 0.394 0.000 2.433 220 Y HA 0.721 5.272 4.550 0.002 0.000 0.337 220 Y C -1.403 174.665 175.900 0.280 0.000 1.026 220 Y CA -1.237 57.055 58.100 0.320 0.000 1.037 220 Y CB 1.840 40.485 38.460 0.310 0.000 1.245 220 Y HN 0.537 nan 8.280 nan 0.000 0.443 221 V N 3.579 123.504 119.914 0.018 0.000 2.876 221 V HA 0.891 5.012 4.120 0.001 0.000 0.312 221 V C -1.280 174.935 176.094 0.202 0.000 1.085 221 V CA -1.096 61.267 62.300 0.104 0.000 0.945 221 V CB 1.825 33.645 31.823 -0.005 0.000 1.017 221 V HN 0.829 nan 8.190 nan 0.000 0.428 222 F N 0.027 120.018 119.950 0.069 0.000 2.713 222 F HA 0.898 5.426 4.527 0.002 0.000 0.311 222 F C -0.706 175.108 175.800 0.023 0.000 1.141 222 F CA -0.845 57.179 58.000 0.039 0.000 0.939 222 F CB 1.145 40.211 39.000 0.110 0.000 1.325 222 F HN 0.486 nan 8.300 nan 0.000 0.453 223 S N 0.138 115.924 115.700 0.143 0.000 2.501 223 S HA 0.538 5.009 4.470 0.001 0.000 0.301 223 S C 0.762 175.399 174.600 0.060 0.000 1.096 223 S CA -0.286 57.927 58.200 0.021 0.000 1.063 223 S CB 1.549 64.724 63.200 -0.042 0.000 1.042 223 S HN 1.169 nan 8.310 nan 0.000 0.494 224 G N 1.129 109.973 108.800 0.074 0.000 2.408 224 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 224 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 224 G C 1.057 175.985 174.900 0.047 0.000 1.150 224 G CA 1.135 46.293 45.100 0.096 0.000 0.776 224 G HN 0.966 nan 8.290 nan 0.000 0.542 225 H N -0.305 118.795 119.070 0.050 0.000 2.491 225 H HA 0.228 4.785 4.556 0.001 0.000 0.290 225 H C 2.124 177.455 175.328 0.004 0.000 1.050 225 H CA 1.264 57.337 56.048 0.041 0.000 1.309 225 H CB -0.033 29.759 29.762 0.050 0.000 1.392 225 H HN 0.322 nan 8.280 nan 0.000 0.554 226 K N 0.008 120.084 120.400 -0.541 0.000 2.361 226 K HA 0.088 4.409 4.320 0.001 0.000 0.196 226 K C 0.360 176.701 176.600 -0.432 0.000 1.039 226 K CA 0.133 56.176 56.287 -0.405 0.000 1.001 226 K CB 0.420 32.689 32.500 -0.385 0.000 0.795 226 K HN 0.192 nan 8.250 nan 0.000 0.495 227 L N 0.723 121.777 121.223 -0.283 0.000 3.036 227 L HA 0.134 4.475 4.340 0.001 0.000 0.237 227 L C -0.958 175.875 176.870 -0.061 0.000 1.319 227 L CA -0.069 54.636 54.840 -0.225 0.000 1.112 227 L CB -0.946 41.092 42.059 -0.036 0.000 1.480 227 L HN 0.207 nan 8.230 nan 0.000 0.506 228 Y N -2.088 118.288 120.300 0.126 0.000 4.604 228 Y HA -0.233 4.318 4.550 0.002 0.000 0.230 228 Y C 1.118 177.088 175.900 0.117 0.000 1.066 228 Y CA 0.671 58.889 58.100 0.198 0.000 1.990 228 Y CB -2.130 36.498 38.460 0.280 0.000 1.619 228 Y HN 0.388 nan 8.280 nan 0.000 0.649 229 G N -0.964 107.928 108.800 0.154 0.000 2.932 229 G HA2 0.737 4.698 3.960 0.001 0.000 0.283 229 G HA3 0.737 4.698 3.960 0.001 0.000 0.283 229 G C -2.657 172.314 174.900 0.118 0.000 1.336 229 G CA -1.643 43.526 45.100 0.114 0.000 1.056 229 G HN -0.060 nan 8.290 nan 0.000 0.522 230 P HA 0.176 nan 4.420 nan 0.000 0.272 230 P C 0.517 177.894 177.300 0.128 0.000 1.240 230 P CA -0.004 63.151 63.100 0.092 0.000 0.791 230 P CB 0.467 32.203 31.700 0.060 0.000 0.978 231 T N -4.119 110.495 114.554 0.100 0.000 2.788 231 T HA 0.445 4.796 4.350 0.001 0.000 0.287 231 T C 1.170 175.908 174.700 0.063 0.000 1.007 231 T CA 0.222 62.363 62.100 0.068 0.000 1.005 231 T CB -0.290 68.569 68.868 -0.015 0.000 1.012 231 T HN 0.807 nan 8.240 nan 0.000 0.530 232 G N -0.280 108.550 108.800 0.050 0.000 2.153 232 G HA2 -0.136 3.825 3.960 0.001 0.000 0.252 232 G HA3 -0.136 3.825 3.960 0.001 0.000 0.252 232 G C -0.259 174.682 174.900 0.067 0.000 0.994 232 G CA 0.322 45.454 45.100 0.053 0.000 0.698 232 G HN 1.112 nan 8.290 nan 0.000 0.521 233 I N -0.278 120.345 120.570 0.088 0.000 2.692 233 I HA 0.785 4.956 4.170 0.001 0.000 0.293 233 I C 0.097 176.258 176.117 0.074 0.000 1.200 233 I CA 0.064 61.410 61.300 0.077 0.000 1.036 233 I CB 1.828 39.856 38.000 0.046 0.000 1.258 233 I HN 0.705 nan 8.210 nan 0.000 0.421 234 G N 6.577 115.405 108.800 0.047 0.000 2.687 234 G HA2 0.668 4.629 3.960 0.001 0.000 0.291 234 G HA3 0.668 4.629 3.960 0.001 0.000 0.291 234 G C -1.966 172.834 174.900 -0.166 0.000 1.420 234 G CA -0.559 44.486 45.100 -0.092 0.000 0.796 234 G HN 0.391 nan 8.290 nan 0.000 0.485 235 I N 0.483 120.762 120.570 -0.485 0.000 2.545 235 I HA 0.468 4.638 4.170 0.001 0.000 0.292 235 I C -1.135 174.819 176.117 -0.271 0.000 1.040 235 I CA -0.751 60.279 61.300 -0.451 0.000 1.068 235 I CB 1.609 39.142 38.000 -0.779 0.000 1.251 235 I HN 0.425 nan 8.210 nan 0.000 0.424 236 L N 8.103 129.250 121.223 -0.127 0.000 2.325 236 L HA 0.479 4.820 4.340 0.001 0.000 0.281 236 L C -1.297 175.592 176.870 0.033 0.000 1.004 236 L CA -0.403 54.422 54.840 -0.026 0.000 0.823 236 L CB 1.355 43.374 42.059 -0.068 0.000 1.236 236 L HN 0.472 nan 8.230 nan 0.000 0.415 237 Y N 5.556 125.887 120.300 0.052 0.000 2.330 237 Y HA 0.766 5.317 4.550 0.002 0.000 0.336 237 Y C -1.332 174.593 175.900 0.041 0.000 1.036 237 Y CA -0.684 57.443 58.100 0.045 0.000 1.125 237 Y CB 1.482 40.014 38.460 0.121 0.000 1.194 237 Y HN 0.413 nan 8.280 nan 0.000 0.469 238 V N 6.370 125.741 119.914 -0.906 0.000 2.623 238 V HA 0.271 4.392 4.120 0.001 0.000 0.304 238 V C -0.629 174.886 176.094 -0.965 0.000 1.054 238 V CA -1.640 60.168 62.300 -0.821 0.000 0.882 238 V CB 1.766 33.361 31.823 -0.379 0.000 1.002 238 V HN 0.743 nan 8.190 nan 0.000 0.424 239 K N 2.463 122.362 120.400 -0.835 0.000 2.550 239 K HA -0.077 4.243 4.320 0.001 0.000 0.280 239 K C 1.357 177.782 176.600 -0.292 0.000 0.987 239 K CA 0.405 56.430 56.287 -0.437 0.000 1.048 239 K CB 0.815 33.147 32.500 -0.280 0.000 0.879 239 K HN 0.871 nan 8.250 nan 0.000 0.491 240 E N 2.854 122.953 120.200 -0.169 0.000 2.097 240 E HA -0.296 4.055 4.350 0.001 0.000 0.196 240 E C 1.659 178.220 176.600 -0.064 0.000 1.000 240 E CA 1.654 57.995 56.400 -0.098 0.000 0.804 240 E CB 0.046 29.721 29.700 -0.041 0.000 0.740 240 E HN 0.727 nan 8.360 nan 0.000 0.454 241 A N 0.704 123.487 122.820 -0.063 0.000 1.969 241 A HA -0.101 4.220 4.320 0.001 0.000 0.218 241 A C 2.171 179.746 177.584 -0.015 0.000 1.169 241 A CA 1.024 53.044 52.037 -0.028 0.000 0.635 241 A CB -0.412 18.570 19.000 -0.031 0.000 0.810 241 A HN 0.301 nan 8.150 nan 0.000 0.445 242 L N -1.389 119.795 121.223 -0.065 0.000 2.095 242 L HA -0.060 4.281 4.340 0.001 0.000 0.204 242 L C 2.482 179.375 176.870 0.039 0.000 1.080 242 L CA 0.749 55.582 54.840 -0.012 0.000 0.759 242 L CB -0.544 41.419 42.059 -0.161 0.000 0.914 242 L HN 0.395 nan 8.230 nan 0.000 0.439 243 L N -0.006 121.188 121.223 -0.048 0.000 2.083 243 L HA -0.209 4.132 4.340 0.001 0.000 0.209 243 L C 2.553 179.506 176.870 0.139 0.000 1.083 243 L CA 1.724 56.548 54.840 -0.026 0.000 0.752 243 L CB -0.558 41.416 42.059 -0.141 0.000 0.899 243 L HN 0.238 nan 8.230 nan 0.000 0.433 244 Q N -0.842 119.022 119.800 0.105 0.000 2.291 244 Q HA -0.171 4.170 4.340 0.001 0.000 0.206 244 Q C 1.424 177.520 176.000 0.160 0.000 0.976 244 Q CA 1.222 57.108 55.803 0.138 0.000 0.875 244 Q CB 0.049 28.840 28.738 0.089 0.000 0.927 244 Q HN 0.530 nan 8.270 nan 0.000 0.450 245 E N -0.391 119.904 120.200 0.157 0.000 2.447 245 E HA 0.088 4.439 4.350 0.001 0.000 0.195 245 E C 0.207 176.928 176.600 0.202 0.000 1.028 245 E CA 0.178 56.673 56.400 0.159 0.000 0.876 245 E CB 0.214 29.995 29.700 0.134 0.000 0.885 245 E HN 0.375 nan 8.360 nan 0.000 0.500 246 M N 3.083 122.850 119.600 0.278 0.000 2.219 246 M HA 0.125 4.606 4.480 0.001 0.000 0.353 246 M C -2.121 174.390 176.300 0.351 0.000 1.304 246 M CA -1.415 54.087 55.300 0.337 0.000 1.115 246 M CB 0.675 33.476 32.600 0.335 0.000 1.664 246 M HN -0.224 nan 8.290 nan 0.000 0.459 247 P HA 0.314 nan 4.420 nan 0.000 0.276 247 P C -2.795 174.512 177.300 0.013 0.000 1.252 247 P CA -1.499 61.634 63.100 0.055 0.000 0.802 247 P CB -0.365 31.370 31.700 0.058 0.000 1.035 248 P HA -0.028 nan 4.420 nan 0.000 0.272 248 P C -0.119 177.159 177.300 -0.036 0.000 1.223 248 P CA 0.085 62.926 63.100 -0.432 0.000 0.784 248 P CB 0.652 31.748 31.700 -1.006 0.000 0.923 249 W N 2.629 123.874 121.300 -0.093 0.000 3.411 249 W HA 0.184 4.844 4.660 0.001 0.000 0.247 249 W C 0.141 176.613 176.519 -0.078 0.000 0.941 249 W CA 0.687 58.010 57.345 -0.036 0.000 2.293 249 W CB -0.654 28.835 29.460 0.048 0.000 1.210 249 W HN 0.272 nan 8.180 nan 0.000 0.584 250 E N 0.396 120.454 120.200 -0.238 0.000 2.354 250 E HA 0.421 4.772 4.350 0.001 0.000 0.269 250 E C 0.011 176.485 176.600 -0.210 0.000 1.036 250 E CA 0.175 56.358 56.400 -0.362 0.000 0.876 250 E CB 0.812 30.302 29.700 -0.351 0.000 1.009 250 E HN 0.176 nan 8.360 nan 0.000 0.416 251 G N 0.434 109.132 108.800 -0.171 0.000 2.454 251 G HA2 0.707 4.668 3.960 0.001 0.000 0.329 251 G HA3 0.707 4.668 3.960 0.001 0.000 0.329 251 G C -0.299 174.582 174.900 -0.033 0.000 1.177 251 G CA 0.030 45.077 45.100 -0.088 0.000 0.951 251 G HN 0.674 nan 8.290 nan 0.000 0.485 252 G N -1.074 107.739 108.800 0.021 0.000 2.368 252 G HA2 0.544 4.505 3.960 0.001 0.000 0.269 252 G HA3 0.544 4.505 3.960 0.001 0.000 0.269 252 G C 0.128 175.040 174.900 0.021 0.000 1.291 252 G CA 0.143 45.253 45.100 0.018 0.000 0.903 252 G HN 1.384 nan 8.290 nan 0.000 0.483 253 G N -1.119 107.673 108.800 -0.013 0.000 2.544 253 G HA2 0.505 4.466 3.960 0.001 0.000 0.242 253 G HA3 0.505 4.466 3.960 0.001 0.000 0.242 253 G C 1.140 175.970 174.900 -0.117 0.000 1.247 253 G CA 1.643 46.707 45.100 -0.060 0.000 0.840 253 G HN 2.225 nan 8.290 nan 0.000 0.578 254 S N 0.063 115.664 115.700 -0.164 0.000 2.206 254 S HA -0.306 4.165 4.470 0.001 0.000 0.241 254 S C 1.723 176.326 174.600 0.005 0.000 1.163 254 S CA 2.585 60.672 58.200 -0.189 0.000 1.532 254 S CB -1.390 61.531 63.200 -0.466 0.000 1.946 254 S HN 1.483 nan 8.310 nan 0.000 0.590 255 M N 0.898 120.526 119.600 0.046 0.000 2.495 255 M HA 0.469 4.950 4.480 0.001 0.000 0.237 255 M C 0.372 176.783 176.300 0.185 0.000 1.131 255 M CA 0.250 55.606 55.300 0.093 0.000 1.032 255 M CB -0.590 32.020 32.600 0.017 0.000 1.513 255 M HN 0.473 nan 8.290 nan 0.000 0.488 256 I N -1.845 118.828 120.570 0.173 0.000 2.664 256 I HA 0.878 5.049 4.170 0.001 0.000 0.308 256 I C 0.853 177.027 176.117 0.094 0.000 0.984 256 I CA -0.316 61.103 61.300 0.199 0.000 1.213 256 I CB 1.274 39.350 38.000 0.127 0.000 1.379 256 I HN 0.032 nan 8.210 nan 0.000 0.501 257 A N 2.319 125.167 122.820 0.047 0.000 1.944 257 A HA 0.411 4.732 4.320 0.001 0.000 0.207 257 A C 1.019 178.584 177.584 -0.032 0.000 1.265 257 A CA 1.160 53.201 52.037 0.006 0.000 0.712 257 A CB -0.529 18.472 19.000 0.003 0.000 0.915 257 A HN 0.919 nan 8.150 nan 0.000 0.470 258 T N -3.018 111.492 114.554 -0.072 0.000 2.916 258 T HA 0.625 4.976 4.350 0.001 0.000 0.305 258 T C -1.257 173.380 174.700 -0.105 0.000 1.119 258 T CA -0.621 61.433 62.100 -0.077 0.000 1.008 258 T CB 1.728 70.547 68.868 -0.080 0.000 1.129 258 T HN 0.288 nan 8.240 nan 0.000 0.480 259 V N 2.143 122.013 119.914 -0.074 0.000 2.487 259 V HA 0.811 4.932 4.120 0.001 0.000 0.298 259 V C -0.210 175.847 176.094 -0.061 0.000 1.028 259 V CA -0.577 61.680 62.300 -0.072 0.000 0.860 259 V CB 1.602 33.404 31.823 -0.035 0.000 0.991 259 V HN 1.164 nan 8.190 nan 0.000 0.427 260 S N 4.149 119.808 115.700 -0.069 0.000 2.541 260 S HA 0.604 5.075 4.470 0.001 0.000 0.280 260 S C 0.218 174.793 174.600 -0.043 0.000 1.112 260 S CA -0.657 57.512 58.200 -0.052 0.000 0.925 260 S CB 1.726 64.892 63.200 -0.057 0.000 1.067 260 S HN 0.586 nan 8.310 nan 0.000 0.479 261 L N 3.457 124.662 121.223 -0.029 0.000 2.591 261 L HA 0.164 4.505 4.340 0.001 0.000 0.228 261 L C 1.764 178.621 176.870 -0.021 0.000 1.133 261 L CA 0.604 55.431 54.840 -0.021 0.000 0.880 261 L CB -0.130 41.921 42.059 -0.014 0.000 1.033 261 L HN 0.814 nan 8.230 nan 0.000 0.450 262 S N -2.478 113.206 115.700 -0.026 0.000 2.670 262 S HA 0.111 4.582 4.470 0.001 0.000 0.241 262 S C 1.285 175.866 174.600 -0.030 0.000 1.077 262 S CA -0.417 57.769 58.200 -0.023 0.000 0.899 262 S CB 0.296 63.484 63.200 -0.020 0.000 0.835 262 S HN 0.201 nan 8.310 nan 0.000 0.481 263 E N 1.891 122.067 120.200 -0.041 0.000 2.501 263 E HA 0.402 4.753 4.350 0.001 0.000 0.201 263 E C 1.070 177.628 176.600 -0.071 0.000 1.016 263 E CA 0.421 56.791 56.400 -0.050 0.000 0.920 263 E CB 0.391 30.059 29.700 -0.052 0.000 1.023 263 E HN 0.658 nan 8.360 nan 0.000 0.474 264 G N 0.967 109.723 108.800 -0.073 0.000 2.828 264 G HA2 -0.219 3.742 3.960 0.001 0.000 0.463 264 G HA3 -0.219 3.742 3.960 0.001 0.000 0.463 264 G C -0.275 174.525 174.900 -0.168 0.000 1.394 264 G CA -0.300 44.736 45.100 -0.107 0.000 0.862 264 G HN 0.093 nan 8.290 nan 0.000 0.540 265 T N 0.877 115.268 114.554 -0.272 0.000 2.885 265 T HA 0.808 5.158 4.350 0.001 0.000 0.285 265 T C 0.540 174.799 174.700 -0.736 0.000 1.019 265 T CA 0.374 62.221 62.100 -0.422 0.000 1.010 265 T CB 1.613 70.242 68.868 -0.399 0.000 1.022 265 T HN 1.441 nan 8.240 nan 0.000 0.466 266 T N -0.331 113.836 114.554 -0.646 0.000 2.912 266 T HA 0.710 5.061 4.350 0.001 0.000 0.288 266 T C -0.942 173.435 174.700 -0.539 0.000 1.030 266 T CA -1.021 60.661 62.100 -0.697 0.000 1.020 266 T CB 1.138 69.815 68.868 -0.318 0.000 1.056 266 T HN 0.645 nan 8.240 nan 0.000 0.480 267 W N 0.284 121.578 121.300 -0.011 0.000 2.509 267 W HA 0.585 5.246 4.660 0.001 0.000 0.351 267 W C 1.033 177.549 176.519 -0.004 0.000 1.107 267 W CA -1.029 56.302 57.345 -0.022 0.000 1.264 267 W CB 1.358 30.790 29.460 -0.048 0.000 1.312 267 W HN 0.734 nan 8.180 nan 0.000 0.608 268 T N 0.975 115.693 114.554 0.272 0.000 2.771 268 T HA 0.257 4.608 4.350 0.001 0.000 0.290 268 T C 0.156 174.985 174.700 0.215 0.000 1.005 268 T CA -0.619 61.600 62.100 0.198 0.000 0.944 268 T CB 0.307 69.286 68.868 0.185 0.000 1.147 268 T HN 0.441 nan 8.240 nan 0.000 0.534 269 K N 0.904 121.464 120.400 0.266 0.000 2.102 269 K HA 0.703 5.024 4.320 0.001 0.000 0.244 269 K C 0.188 176.955 176.600 0.279 0.000 1.021 269 K CA -0.917 55.533 56.287 0.273 0.000 0.913 269 K CB 0.384 33.070 32.500 0.310 0.000 1.062 269 K HN 0.561 nan 8.250 nan 0.000 0.485 270 A N 1.588 124.514 122.820 0.177 0.000 2.455 270 A HA 0.101 4.422 4.320 0.001 0.000 0.244 270 A C -1.173 176.269 177.584 -0.238 0.000 1.099 270 A CA -0.971 51.140 52.037 0.124 0.000 0.786 270 A CB -0.663 18.473 19.000 0.228 0.000 1.051 270 A HN 0.866 nan 8.150 nan 0.000 0.508 271 P HA -0.167 nan 4.420 nan 0.000 0.224 271 P C 0.945 178.122 177.300 -0.204 0.000 1.142 271 P CA 1.294 64.202 63.100 -0.319 0.000 0.778 271 P CB -0.092 31.314 31.700 -0.490 0.000 0.764 272 W N 0.592 121.985 121.300 0.155 0.000 2.425 272 W HA 0.014 4.675 4.660 0.001 0.000 0.277 272 W C 2.372 178.902 176.519 0.017 0.000 1.231 272 W CA 0.602 58.015 57.345 0.113 0.000 1.248 272 W CB -1.287 28.235 29.460 0.102 0.000 1.117 272 W HN 0.112 nan 8.180 nan 0.000 0.568 273 R N 0.610 121.126 120.500 0.027 0.000 2.200 273 R HA -0.164 4.177 4.340 0.001 0.000 0.234 273 R C 1.331 177.282 176.300 -0.581 0.000 1.127 273 R CA 1.305 57.216 56.100 -0.315 0.000 0.989 273 R CB -0.632 29.330 30.300 -0.563 0.000 0.869 273 R HN 0.053 nan 8.270 nan 0.000 0.459 274 F N 0.129 120.110 119.950 0.052 0.000 2.693 274 F HA 0.276 4.803 4.527 0.001 0.000 0.303 274 F C -0.225 175.633 175.800 0.096 0.000 1.097 274 F CA -0.146 57.888 58.000 0.058 0.000 1.330 274 F CB 0.603 39.628 39.000 0.042 0.000 1.067 274 F HN -0.104 nan 8.300 nan 0.000 0.565 275 E N 1.278 121.597 120.200 0.198 0.000 2.255 275 E HA 0.543 4.894 4.350 0.001 0.000 0.245 275 E C -0.615 176.078 176.600 0.155 0.000 0.909 275 E CA -0.475 56.055 56.400 0.217 0.000 0.747 275 E CB 1.340 31.217 29.700 0.295 0.000 1.215 275 E HN 0.115 nan 8.360 nan 0.000 0.424 276 A N 2.777 125.653 122.820 0.094 0.000 2.290 276 A HA 0.812 5.133 4.320 0.001 0.000 0.310 276 A C 0.673 178.294 177.584 0.061 0.000 1.202 276 A CA 0.321 52.384 52.037 0.043 0.000 0.837 276 A CB 0.656 19.646 19.000 -0.017 0.000 1.139 276 A HN 0.712 nan 8.150 nan 0.000 0.509 277 G N 1.098 109.926 108.800 0.047 0.000 2.782 277 G HA2 -0.019 3.942 3.960 0.001 0.000 0.228 277 G HA3 -0.019 3.942 3.960 0.001 0.000 0.228 277 G C -0.000 175.040 174.900 0.234 0.000 1.372 277 G CA -0.381 44.772 45.100 0.087 0.000 0.862 277 G HN 1.420 nan 8.290 nan 0.000 0.547 278 T N 3.813 118.515 114.554 0.246 0.000 2.871 278 T HA 0.419 4.770 4.350 0.001 0.000 0.296 278 T C -0.972 173.837 174.700 0.182 0.000 0.998 278 T CA 0.547 62.809 62.100 0.271 0.000 1.162 278 T CB 0.696 69.675 68.868 0.186 0.000 0.947 278 T HN 0.701 nan 8.240 nan 0.000 0.536 279 P HA 0.188 nan 4.420 nan 0.000 0.275 279 P C -0.148 177.184 177.300 0.053 0.000 1.266 279 P CA -0.689 62.463 63.100 0.086 0.000 0.793 279 P CB 0.539 32.254 31.700 0.025 0.000 1.074 280 N N -0.129 118.578 118.700 0.012 0.000 2.968 280 N HA 0.026 4.767 4.740 0.001 0.000 0.271 280 N C 0.619 176.108 175.510 -0.035 0.000 1.174 280 N CA 0.174 53.239 53.050 0.026 0.000 1.096 280 N CB -0.703 37.798 38.487 0.024 0.000 1.403 280 N HN 0.156 nan 8.380 nan 0.000 0.522 281 T N 0.037 114.606 114.554 0.024 0.000 2.684 281 T HA -0.116 4.235 4.350 0.001 0.000 0.267 281 T C 1.833 176.471 174.700 -0.104 0.000 1.036 281 T CA 1.655 63.728 62.100 -0.045 0.000 1.148 281 T CB -0.501 68.461 68.868 0.157 0.000 0.863 281 T HN 0.549 nan 8.240 nan 0.000 0.436 282 G N 1.092 109.948 108.800 0.094 0.000 2.421 282 G HA2 -0.056 3.904 3.960 0.001 0.000 0.216 282 G HA3 -0.056 3.904 3.960 0.001 0.000 0.216 282 G C 1.755 176.593 174.900 -0.102 0.000 1.171 282 G CA 0.928 45.983 45.100 -0.076 0.000 0.775 282 G HN 0.581 nan 8.290 nan 0.000 0.543 283 G N 0.854 109.635 108.800 -0.032 0.000 2.422 283 G HA2 -0.148 3.813 3.960 0.001 0.000 0.218 283 G HA3 -0.148 3.813 3.960 0.001 0.000 0.218 283 G C 1.777 176.612 174.900 -0.107 0.000 1.146 283 G CA 0.769 45.846 45.100 -0.038 0.000 0.769 283 G HN 0.447 nan 8.290 nan 0.000 0.547 284 I N 0.707 121.149 120.570 -0.214 0.000 2.252 284 I HA -0.129 4.042 4.170 0.001 0.000 0.245 284 I C 2.479 178.455 176.117 -0.235 0.000 1.102 284 I CA 0.435 61.552 61.300 -0.306 0.000 1.385 284 I CB -0.091 37.550 38.000 -0.598 0.000 1.064 284 I HN 0.061 nan 8.210 nan 0.000 0.414 285 I N 0.915 121.297 120.570 -0.313 0.000 2.179 285 I HA -0.206 3.965 4.170 0.001 0.000 0.242 285 I C 2.707 178.730 176.117 -0.157 0.000 1.088 285 I CA 1.821 62.939 61.300 -0.303 0.000 1.357 285 I CB -2.155 35.545 38.000 -0.500 0.000 1.051 285 I HN 0.233 nan 8.210 nan 0.000 0.409 286 G N 0.929 109.656 108.800 -0.122 0.000 2.440 286 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 286 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 286 G C 1.777 176.664 174.900 -0.022 0.000 1.154 286 G CA 0.850 45.918 45.100 -0.054 0.000 0.767 286 G HN 0.369 nan 8.290 nan 0.000 0.552 287 L N 1.578 122.791 121.223 -0.017 0.000 2.046 287 L HA 0.147 4.488 4.340 0.001 0.000 0.208 287 L C 2.760 179.638 176.870 0.013 0.000 1.077 287 L CA 2.399 57.251 54.840 0.021 0.000 0.747 287 L CB -0.994 41.095 42.059 0.050 0.000 0.896 287 L HN 0.152 nan 8.230 nan 0.000 0.432 288 G N -0.835 107.964 108.800 -0.000 0.000 2.446 288 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 288 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 288 G C 1.604 176.511 174.900 0.011 0.000 1.168 288 G CA 0.915 46.020 45.100 0.008 0.000 0.771 288 G HN 0.662 nan 8.290 nan 0.000 0.551 289 A N 0.966 123.789 122.820 0.004 0.000 1.972 289 A HA 0.303 4.624 4.320 0.001 0.000 0.219 289 A C 2.785 180.408 177.584 0.065 0.000 1.169 289 A CA 2.164 54.218 52.037 0.027 0.000 0.635 289 A CB -0.644 18.358 19.000 0.003 0.000 0.810 289 A HN 0.782 nan 8.150 nan 0.000 0.446 290 A N -0.132 122.721 122.820 0.055 0.000 1.898 290 A HA 0.011 4.332 4.320 0.001 0.000 0.216 290 A C 2.134 179.781 177.584 0.105 0.000 1.181 290 A CA 1.375 53.477 52.037 0.110 0.000 0.620 290 A CB -0.573 18.491 19.000 0.107 0.000 0.819 290 A HN 0.468 nan 8.150 nan 0.000 0.442 291 L N -0.568 120.642 121.223 -0.022 0.000 2.046 291 L HA -0.222 4.119 4.340 0.001 0.000 0.208 291 L C 2.582 179.482 176.870 0.050 0.000 1.077 291 L CA 1.725 56.476 54.840 -0.149 0.000 0.747 291 L CB -0.709 41.187 42.059 -0.270 0.000 0.896 291 L HN 0.464 nan 8.230 nan 0.000 0.432 292 E N -0.694 119.555 120.200 0.081 0.000 2.077 292 E HA -0.274 4.077 4.350 0.001 0.000 0.193 292 E C 2.067 178.737 176.600 0.117 0.000 0.989 292 E CA 1.560 58.020 56.400 0.100 0.000 0.800 292 E CB -0.275 29.473 29.700 0.080 0.000 0.746 292 E HN 0.431 nan 8.360 nan 0.000 0.452 293 Y N 1.418 121.738 120.300 0.033 0.000 2.097 293 Y HA -0.279 4.271 4.550 0.001 0.000 0.282 293 Y C 2.229 178.166 175.900 0.063 0.000 1.152 293 Y CA 1.414 59.530 58.100 0.028 0.000 1.136 293 Y CB -0.278 38.185 38.460 0.004 0.000 0.975 293 Y HN -0.185 nan 8.280 nan 0.000 0.498 294 V N -0.816 119.224 119.914 0.209 0.000 2.343 294 V HA -0.296 3.825 4.120 0.001 0.000 0.247 294 V C 2.387 178.560 176.094 0.132 0.000 1.051 294 V CA 2.141 64.550 62.300 0.181 0.000 1.036 294 V CB -0.899 31.120 31.823 0.327 0.000 0.654 294 V HN 0.393 nan 8.190 nan 0.000 0.451 295 S N 0.148 115.961 115.700 0.188 0.000 2.399 295 S HA -0.132 4.338 4.470 0.001 0.000 0.231 295 S C 2.157 176.778 174.600 0.035 0.000 1.022 295 S CA 1.315 59.601 58.200 0.143 0.000 0.983 295 S CB -0.393 62.916 63.200 0.182 0.000 0.803 295 S HN 0.653 nan 8.310 nan 0.000 0.480 296 A N 1.176 123.981 122.820 -0.025 0.000 1.968 296 A HA 0.099 4.420 4.320 0.001 0.000 0.217 296 A C 2.031 179.547 177.584 -0.113 0.000 1.169 296 A CA 0.864 52.855 52.037 -0.077 0.000 0.638 296 A CB -0.513 18.419 19.000 -0.113 0.000 0.812 296 A HN 0.456 nan 8.150 nan 0.000 0.446 297 L N -1.147 119.979 121.223 -0.161 0.000 2.109 297 L HA 0.172 4.512 4.340 0.001 0.000 0.207 297 L C 1.240 178.122 176.870 0.021 0.000 1.086 297 L CA 0.683 55.463 54.840 -0.100 0.000 0.760 297 L CB -0.717 41.295 42.059 -0.079 0.000 0.910 297 L HN 0.591 nan 8.230 nan 0.000 0.437 298 G N -0.442 108.375 108.800 0.028 0.000 3.421 298 G HA2 -0.176 3.785 3.960 0.001 0.000 0.686 298 G HA3 -0.176 3.785 3.960 0.001 0.000 0.686 298 G C 0.085 175.017 174.900 0.053 0.000 1.056 298 G CA -0.580 44.543 45.100 0.038 0.000 0.891 298 G HN 0.071 nan 8.290 nan 0.000 0.514 299 L N 1.390 122.629 121.223 0.027 0.000 2.191 299 L HA -0.079 4.262 4.340 0.001 0.000 0.212 299 L C 2.613 179.497 176.870 0.023 0.000 1.103 299 L CA 1.263 56.117 54.840 0.023 0.000 0.769 299 L CB -0.213 41.826 42.059 -0.033 0.000 0.908 299 L HN 0.645 nan 8.230 nan 0.000 0.438 300 N N 0.141 118.849 118.700 0.013 0.000 2.270 300 N HA -0.120 4.621 4.740 0.001 0.000 0.181 300 N C 1.441 176.962 175.510 0.018 0.000 1.016 300 N CA 1.105 54.162 53.050 0.011 0.000 0.870 300 N CB -0.340 38.147 38.487 0.000 0.000 0.979 300 N HN 0.496 nan 8.380 nan 0.000 0.431 301 N N 0.828 119.553 118.700 0.043 0.000 2.142 301 N HA 0.022 4.763 4.740 0.001 0.000 0.186 301 N C 1.804 177.294 175.510 -0.034 0.000 1.023 301 N CA 0.625 53.721 53.050 0.075 0.000 0.852 301 N CB 0.030 38.628 38.487 0.184 0.000 0.998 301 N HN 0.126 nan 8.380 nan 0.000 0.424 302 I N 1.244 121.786 120.570 -0.048 0.000 2.142 302 I HA -0.273 3.898 4.170 0.001 0.000 0.240 302 I C 2.471 178.503 176.117 -0.143 0.000 1.078 302 I CA 0.976 62.152 61.300 -0.207 0.000 1.343 302 I CB -0.341 37.648 38.000 -0.020 0.000 1.046 302 I HN 0.160 nan 8.210 nan 0.000 0.405 303 A N -0.035 122.763 122.820 -0.037 0.000 1.948 303 A HA -0.305 4.016 4.320 0.001 0.000 0.220 303 A C 2.311 179.852 177.584 -0.072 0.000 1.177 303 A CA 2.197 54.223 52.037 -0.019 0.000 0.636 303 A CB -0.713 18.304 19.000 0.028 0.000 0.815 303 A HN 0.539 nan 8.150 nan 0.000 0.449 304 E N -1.749 118.415 120.200 -0.061 0.000 2.047 304 E HA -0.225 4.126 4.350 0.001 0.000 0.191 304 E C 1.887 178.436 176.600 -0.085 0.000 0.987 304 E CA 1.357 57.724 56.400 -0.055 0.000 0.799 304 E CB -0.330 29.369 29.700 -0.003 0.000 0.752 304 E HN 0.717 nan 8.360 nan 0.000 0.449 305 Y N 1.632 121.779 120.300 -0.256 0.000 2.145 305 Y HA -0.181 4.369 4.550 0.001 0.000 0.286 305 Y C 1.908 177.668 175.900 -0.233 0.000 1.145 305 Y CA 2.113 60.042 58.100 -0.286 0.000 1.148 305 Y CB -0.038 38.011 38.460 -0.686 0.000 0.981 305 Y HN 0.077 nan 8.280 nan 0.000 0.507 306 E N -0.485 119.550 120.200 -0.275 0.000 2.077 306 E HA -0.303 4.048 4.350 0.001 0.000 0.193 306 E C 2.124 178.529 176.600 -0.325 0.000 0.989 306 E CA 1.308 57.542 56.400 -0.277 0.000 0.800 306 E CB -0.192 29.437 29.700 -0.117 0.000 0.746 306 E HN 0.447 nan 8.360 nan 0.000 0.452 307 Q N 1.343 120.964 119.800 -0.298 0.000 2.124 307 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 307 Q C 1.727 177.438 176.000 -0.483 0.000 0.977 307 Q CA 1.577 57.140 55.803 -0.400 0.000 0.850 307 Q CB -0.243 28.295 28.738 -0.333 0.000 0.901 307 Q HN 0.194 nan 8.270 nan 0.000 0.429 308 N N -0.580 117.924 118.700 -0.326 0.000 2.142 308 N HA -0.155 4.585 4.740 0.001 0.000 0.186 308 N C 1.713 177.098 175.510 -0.208 0.000 1.023 308 N CA 1.237 54.174 53.050 -0.189 0.000 0.852 308 N CB -0.075 38.339 38.487 -0.123 0.000 0.998 308 N HN 0.352 nan 8.380 nan 0.000 0.424 309 L N 1.279 122.247 121.223 -0.426 0.000 2.046 309 L HA -0.099 4.242 4.340 0.001 0.000 0.208 309 L C 2.513 179.254 176.870 -0.215 0.000 1.077 309 L CA 1.435 56.012 54.840 -0.439 0.000 0.747 309 L CB -0.750 40.968 42.059 -0.568 0.000 0.896 309 L HN 0.220 nan 8.230 nan 0.000 0.432 310 M N -1.351 118.115 119.600 -0.223 0.000 2.117 310 M HA -0.195 4.286 4.480 0.001 0.000 0.262 310 M C 2.219 178.496 176.300 -0.038 0.000 1.065 310 M CA 1.744 56.952 55.300 -0.153 0.000 1.114 310 M CB -0.628 31.844 32.600 -0.213 0.000 1.361 310 M HN 0.320 nan 8.290 nan 0.000 0.408 311 H N -1.364 117.663 119.070 -0.073 0.000 2.353 311 H HA -0.160 4.397 4.556 0.001 0.000 0.300 311 H C 1.967 177.282 175.328 -0.021 0.000 1.090 311 H CA 2.105 58.127 56.048 -0.045 0.000 1.327 311 H CB -1.116 28.631 29.762 -0.025 0.000 1.383 311 H HN 0.588 nan 8.280 nan 0.000 0.508 312 Y N 1.089 121.392 120.300 0.004 0.000 2.145 312 Y HA -0.191 4.360 4.550 0.001 0.000 0.286 312 Y C 2.617 178.476 175.900 -0.069 0.000 1.145 312 Y CA 1.570 59.649 58.100 -0.035 0.000 1.148 312 Y CB -0.515 37.880 38.460 -0.109 0.000 0.981 312 Y HN 0.163 nan 8.280 nan 0.000 0.507 313 A N 0.327 123.082 122.820 -0.108 0.000 1.877 313 A HA -0.166 4.155 4.320 0.001 0.000 0.216 313 A C 2.327 179.790 177.584 -0.202 0.000 1.186 313 A CA 1.873 53.799 52.037 -0.185 0.000 0.620 313 A CB -1.191 17.749 19.000 -0.100 0.000 0.822 313 A HN 0.550 nan 8.150 nan 0.000 0.443 314 L N -0.483 120.664 121.223 -0.126 0.000 2.046 314 L HA -0.178 4.163 4.340 0.001 0.000 0.208 314 L C 2.962 179.745 176.870 -0.146 0.000 1.077 314 L CA 1.600 56.372 54.840 -0.114 0.000 0.747 314 L CB -0.463 41.567 42.059 -0.049 0.000 0.896 314 L HN 0.556 nan 8.230 nan 0.000 0.432 315 S N -0.841 114.762 115.700 -0.163 0.000 2.368 315 S HA -0.187 4.284 4.470 0.001 0.000 0.224 315 S C 2.008 176.466 174.600 -0.235 0.000 1.029 315 S CA 1.022 59.115 58.200 -0.178 0.000 0.988 315 S CB -0.027 63.083 63.200 -0.151 0.000 0.838 315 S HN 0.382 nan 8.310 nan 0.000 0.462 316 Q N 0.647 120.233 119.800 -0.357 0.000 2.167 316 Q HA 0.107 4.448 4.340 0.001 0.000 0.202 316 Q C 2.209 178.069 176.000 -0.233 0.000 0.970 316 Q CA 0.845 56.445 55.803 -0.337 0.000 0.855 316 Q CB -0.520 27.925 28.738 -0.489 0.000 0.911 316 Q HN 0.557 nan 8.270 nan 0.000 0.438 317 L N 0.689 121.775 121.223 -0.227 0.000 2.362 317 L HA -0.127 4.214 4.340 0.001 0.000 0.219 317 L C 1.948 178.711 176.870 -0.179 0.000 1.134 317 L CA 0.604 55.317 54.840 -0.212 0.000 0.807 317 L CB -0.191 41.728 42.059 -0.234 0.000 0.927 317 L HN 0.213 nan 8.230 nan 0.000 0.447 318 E N -0.280 119.826 120.200 -0.157 0.000 2.265 318 E HA -0.180 4.171 4.350 0.001 0.000 0.196 318 E C 1.929 178.459 176.600 -0.116 0.000 0.996 318 E CA 1.324 57.647 56.400 -0.128 0.000 0.832 318 E CB 0.008 29.641 29.700 -0.112 0.000 0.756 318 E HN 0.451 nan 8.360 nan 0.000 0.491 319 S N 0.036 115.665 115.700 -0.119 0.000 2.671 319 S HA 0.081 4.552 4.470 0.001 0.000 0.220 319 S C 0.442 174.980 174.600 -0.102 0.000 0.951 319 S CA -0.448 57.694 58.200 -0.097 0.000 0.932 319 S CB 0.165 63.314 63.200 -0.085 0.000 0.777 319 S HN -0.121 nan 8.310 nan 0.000 0.508 320 V N 3.738 123.573 119.914 -0.132 0.000 2.364 320 V HA 0.410 4.530 4.120 0.001 0.000 0.272 320 V C -2.320 173.667 176.094 -0.179 0.000 1.036 320 V CA -2.010 60.200 62.300 -0.149 0.000 0.880 320 V CB 0.893 32.607 31.823 -0.183 0.000 0.991 320 V HN 0.275 nan 8.190 nan 0.000 0.460 321 P HA 0.197 nan 4.420 nan 0.000 0.268 321 P C -0.033 177.016 177.300 -0.418 0.000 1.205 321 P CA 0.107 63.066 63.100 -0.235 0.000 0.771 321 P CB 0.266 31.892 31.700 -0.123 0.000 0.858 322 D N -0.806 119.443 120.400 -0.251 0.000 2.837 322 D HA -0.179 4.462 4.640 0.001 0.000 0.230 322 D C -0.145 176.046 176.300 -0.182 0.000 1.152 322 D CA 0.709 54.587 54.000 -0.203 0.000 0.736 322 D CB -1.167 39.519 40.800 -0.190 0.000 1.084 322 D HN 0.210 nan 8.370 nan 0.000 0.429 323 L N 0.815 121.935 121.223 -0.172 0.000 2.305 323 L HA 0.318 4.659 4.340 0.001 0.000 0.281 323 L C 0.234 177.029 176.870 -0.126 0.000 1.085 323 L CA 0.417 55.182 54.840 -0.125 0.000 0.813 323 L CB 1.408 43.368 42.059 -0.165 0.000 1.157 323 L HN -0.104 nan 8.230 nan 0.000 0.436 324 T N 6.349 120.830 114.554 -0.121 0.000 2.771 324 T HA 0.546 4.897 4.350 0.001 0.000 0.281 324 T C -0.194 174.266 174.700 -0.401 0.000 0.982 324 T CA -0.371 61.561 62.100 -0.279 0.000 0.978 324 T CB 0.691 69.356 68.868 -0.338 0.000 0.930 324 T HN 0.405 nan 8.240 nan 0.000 0.447 325 L N 3.270 124.231 121.223 -0.436 0.000 2.331 325 L HA 0.585 4.926 4.340 0.001 0.000 0.275 325 L C -1.084 175.445 176.870 -0.570 0.000 1.022 325 L CA -1.124 53.507 54.840 -0.348 0.000 0.812 325 L CB 1.187 43.149 42.059 -0.161 0.000 1.257 325 L HN 0.650 nan 8.230 nan 0.000 0.435 326 Y N 0.569 120.790 120.300 -0.133 0.000 2.350 326 Y HA 0.732 5.283 4.550 0.002 0.000 0.338 326 Y C 0.658 176.483 175.900 -0.125 0.000 0.961 326 Y CA -0.589 57.348 58.100 -0.272 0.000 1.100 326 Y CB 2.117 40.249 38.460 -0.547 0.000 1.179 326 Y HN 0.751 nan 8.280 nan 0.000 0.454 327 G N 3.185 112.039 108.800 0.090 0.000 2.440 327 G HA2 0.018 3.979 3.960 0.001 0.000 0.684 327 G HA3 0.018 3.979 3.960 0.001 0.000 0.684 327 G C -3.352 171.586 174.900 0.063 0.000 1.309 327 G CA -1.463 43.694 45.100 0.095 0.000 0.931 327 G HN 0.422 nan 8.290 nan 0.000 0.612 328 P HA 0.261 nan 4.420 nan 0.000 0.276 328 P C 0.492 177.805 177.300 0.021 0.000 1.252 328 P CA -0.166 62.957 63.100 0.039 0.000 0.802 328 P CB 1.041 32.764 31.700 0.038 0.000 1.035 329 Q N 0.754 120.563 119.800 0.015 0.000 2.224 329 Q HA -0.134 4.207 4.340 0.001 0.000 0.203 329 Q C 1.133 177.153 176.000 0.032 0.000 0.970 329 Q CA 1.383 57.193 55.803 0.012 0.000 0.865 329 Q CB -0.381 28.357 28.738 0.000 0.000 0.922 329 Q HN 0.555 nan 8.270 nan 0.000 0.445 330 N N 1.041 119.759 118.700 0.030 0.000 2.362 330 N HA -0.040 4.701 4.740 0.001 0.000 0.211 330 N C -0.572 174.939 175.510 0.000 0.000 1.170 330 N CA -0.189 52.880 53.050 0.033 0.000 0.828 330 N CB -0.311 38.193 38.487 0.028 0.000 1.034 330 N HN 0.148 nan 8.380 nan 0.000 0.475 331 R N 0.006 120.502 120.500 -0.007 0.000 2.697 331 R HA 0.118 4.459 4.340 0.001 0.000 0.265 331 R C -0.372 175.878 176.300 -0.085 0.000 1.009 331 R CA -0.006 56.075 56.100 -0.031 0.000 1.099 331 R CB 0.337 30.622 30.300 -0.024 0.000 0.965 331 R HN 0.105 nan 8.270 nan 0.000 0.428 332 L N 2.394 123.547 121.223 -0.117 0.000 2.317 332 L HA 0.351 4.692 4.340 0.001 0.000 0.281 332 L C 1.377 178.053 176.870 -0.323 0.000 1.024 332 L CA 0.162 54.858 54.840 -0.241 0.000 0.810 332 L CB 1.755 43.660 42.059 -0.257 0.000 1.240 332 L HN 1.110 nan 8.230 nan 0.000 0.427 333 G N 2.749 111.276 108.800 -0.454 0.000 2.934 333 G HA2 -0.304 3.657 3.960 0.001 0.000 0.231 333 G HA3 -0.304 3.657 3.960 0.001 0.000 0.231 333 G C 0.200 175.026 174.900 -0.124 0.000 1.235 333 G CA 0.635 45.517 45.100 -0.363 0.000 0.812 333 G HN 0.729 nan 8.290 nan 0.000 0.521 334 V N -1.407 118.453 119.914 -0.089 0.000 2.914 334 V HA 0.846 4.967 4.120 0.001 0.000 0.314 334 V C -0.006 176.075 176.094 -0.021 0.000 1.084 334 V CA -1.457 60.820 62.300 -0.039 0.000 0.963 334 V CB 2.141 33.941 31.823 -0.038 0.000 1.025 334 V HN 0.509 nan 8.190 nan 0.000 0.432 335 I N 3.066 123.649 120.570 0.023 0.000 2.411 335 I HA 0.730 4.901 4.170 0.001 0.000 0.284 335 I C 0.304 176.521 176.117 0.166 0.000 1.012 335 I CA -0.693 60.653 61.300 0.077 0.000 1.119 335 I CB 1.685 39.728 38.000 0.072 0.000 1.261 335 I HN 0.910 nan 8.210 nan 0.000 0.448 336 A N 7.470 130.365 122.820 0.126 0.000 2.290 336 A HA 0.901 5.222 4.320 0.001 0.000 0.310 336 A C -0.773 177.004 177.584 0.321 0.000 1.202 336 A CA -0.232 51.866 52.037 0.102 0.000 0.837 336 A CB 0.467 19.479 19.000 0.020 0.000 1.139 336 A HN 0.682 nan 8.150 nan 0.000 0.509 337 F N 0.351 120.390 119.950 0.148 0.000 2.711 337 F HA 0.734 5.262 4.527 0.002 0.000 0.313 337 F C -1.122 174.799 175.800 0.201 0.000 1.141 337 F CA -1.263 56.812 58.000 0.125 0.000 0.941 337 F CB 1.335 40.335 39.000 0.001 0.000 1.349 337 F HN 0.366 nan 8.300 nan 0.000 0.464 338 N N 1.066 119.974 118.700 0.347 0.000 2.235 338 N HA 0.531 5.272 4.740 0.001 0.000 0.293 338 N C -2.215 173.444 175.510 0.248 0.000 1.083 338 N CA -0.500 52.687 53.050 0.228 0.000 0.801 338 N CB 2.806 41.420 38.487 0.211 0.000 1.559 338 N HN 0.819 nan 8.380 nan 0.000 0.472 339 L N 2.011 123.377 121.223 0.238 0.000 2.280 339 L HA 0.558 4.899 4.340 0.001 0.000 0.287 339 L C 1.181 178.121 176.870 0.117 0.000 1.023 339 L CA 0.533 55.494 54.840 0.201 0.000 0.819 339 L CB 0.478 42.721 42.059 0.307 0.000 1.212 339 L HN 0.858 nan 8.230 nan 0.000 0.420 340 G N 4.890 113.695 108.800 0.007 0.000 2.652 340 G HA2 -0.356 3.605 3.960 0.001 0.000 0.318 340 G HA3 -0.356 3.605 3.960 0.001 0.000 0.318 340 G C 0.615 175.442 174.900 -0.122 0.000 1.295 340 G CA 0.629 45.696 45.100 -0.057 0.000 0.999 340 G HN 0.620 nan 8.290 nan 0.000 0.548 341 K N 1.575 121.798 120.400 -0.295 0.000 2.358 341 K HA 0.140 4.461 4.320 0.001 0.000 0.197 341 K C 0.647 177.147 176.600 -0.167 0.000 1.025 341 K CA 0.026 56.200 56.287 -0.189 0.000 1.104 341 K CB 0.131 32.545 32.500 -0.143 0.000 0.855 341 K HN 0.654 nan 8.250 nan 0.000 0.531 342 H N 1.113 120.254 119.070 0.118 0.000 2.815 342 H HA 0.001 4.558 4.556 0.001 0.000 0.350 342 H C 0.476 175.894 175.328 0.149 0.000 1.080 342 H CA 0.188 56.321 56.048 0.140 0.000 1.433 342 H CB 0.420 30.268 29.762 0.143 0.000 1.432 342 H HN 0.078 nan 8.280 nan 0.000 0.592 343 H N 1.583 120.791 119.070 0.231 0.000 2.815 343 H HA 0.046 4.603 4.556 0.001 0.000 0.350 343 H C 0.766 176.205 175.328 0.185 0.000 1.080 343 H CA 0.379 56.532 56.048 0.175 0.000 1.433 343 H CB 0.889 30.748 29.762 0.162 0.000 1.432 343 H HN 0.748 nan 8.280 nan 0.000 0.592 344 A N 5.182 127.943 122.820 -0.098 0.000 1.940 344 A HA -0.268 4.053 4.320 0.001 0.000 0.219 344 A C 2.169 179.921 177.584 0.280 0.000 1.176 344 A CA 1.609 53.684 52.037 0.063 0.000 0.631 344 A CB -1.089 17.853 19.000 -0.097 0.000 0.814 344 A HN 0.893 nan 8.150 nan 0.000 0.446 345 Y N 1.129 121.733 120.300 0.506 0.000 2.165 345 Y HA -0.269 4.282 4.550 0.002 0.000 0.286 345 Y C 1.891 177.881 175.900 0.151 0.000 1.155 345 Y CA 2.209 60.438 58.100 0.215 0.000 1.164 345 Y CB -0.119 38.368 38.460 0.044 0.000 0.978 345 Y HN 0.370 nan 8.280 nan 0.000 0.513 346 D N -0.590 119.994 120.400 0.307 0.000 2.117 346 D HA -0.157 4.484 4.640 0.001 0.000 0.198 346 D C 2.403 178.849 176.300 0.243 0.000 0.982 346 D CA 1.626 55.760 54.000 0.225 0.000 0.828 346 D CB -0.379 40.623 40.800 0.337 0.000 0.967 346 D HN 0.339 nan 8.370 nan 0.000 0.464 347 V N 1.260 121.313 119.914 0.231 0.000 2.295 347 V HA -0.173 3.947 4.120 0.001 0.000 0.246 347 V C 2.596 178.786 176.094 0.160 0.000 1.049 347 V CA 2.078 64.508 62.300 0.217 0.000 1.024 347 V CB -1.049 30.905 31.823 0.218 0.000 0.648 347 V HN 0.231 nan 8.190 nan 0.000 0.447 348 G N -0.654 108.179 108.800 0.055 0.000 2.422 348 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 348 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 348 G C 1.813 176.651 174.900 -0.103 0.000 1.146 348 G CA 1.128 46.218 45.100 -0.017 0.000 0.769 348 G HN 0.522 nan 8.290 nan 0.000 0.547 349 S N 0.477 116.045 115.700 -0.220 0.000 2.368 349 S HA -0.023 4.448 4.470 0.001 0.000 0.225 349 S C 1.955 176.384 174.600 -0.286 0.000 1.030 349 S CA 0.826 58.834 58.200 -0.321 0.000 0.999 349 S CB -0.361 62.562 63.200 -0.460 0.000 0.844 349 S HN 0.355 nan 8.310 nan 0.000 0.459 350 F N 1.574 121.385 119.950 -0.231 0.000 2.186 350 F HA 0.039 4.567 4.527 0.001 0.000 0.299 350 F C 2.004 177.493 175.800 -0.519 0.000 1.090 350 F CA 0.758 58.528 58.000 -0.384 0.000 1.307 350 F CB -0.445 38.376 39.000 -0.298 0.000 1.019 350 F HN 0.107 nan 8.300 nan 0.000 0.489 351 L N -0.280 120.939 121.223 -0.007 0.000 2.046 351 L HA -0.246 4.095 4.340 0.001 0.000 0.208 351 L C 2.100 178.989 176.870 0.033 0.000 1.077 351 L CA 1.742 56.643 54.840 0.101 0.000 0.747 351 L CB -0.654 41.515 42.059 0.182 0.000 0.896 351 L HN 0.111 nan 8.230 nan 0.000 0.432 352 D N 0.105 120.481 120.400 -0.040 0.000 2.144 352 D HA -0.238 4.403 4.640 0.001 0.000 0.199 352 D C 1.894 178.157 176.300 -0.060 0.000 0.984 352 D CA 1.239 55.217 54.000 -0.036 0.000 0.834 352 D CB -0.019 40.736 40.800 -0.075 0.000 0.955 352 D HN 0.151 nan 8.370 nan 0.000 0.465 353 N N -1.531 117.062 118.700 -0.179 0.000 2.289 353 N HA -0.171 4.570 4.740 0.001 0.000 0.184 353 N C 0.690 176.168 175.510 -0.054 0.000 1.016 353 N CA 0.889 53.828 53.050 -0.186 0.000 0.872 353 N CB -0.154 38.130 38.487 -0.339 0.000 0.973 353 N HN 0.218 nan 8.380 nan 0.000 0.433 354 Y N -0.731 119.606 120.300 0.061 0.000 2.490 354 Y HA 0.317 4.868 4.550 0.002 0.000 0.281 354 Y C 1.838 177.773 175.900 0.057 0.000 1.174 354 Y CA 0.102 58.241 58.100 0.066 0.000 1.295 354 Y CB -0.256 38.254 38.460 0.082 0.000 1.062 354 Y HN 0.117 nan 8.280 nan 0.000 0.522 355 G N 0.398 109.300 108.800 0.170 0.000 2.157 355 G HA2 -0.272 3.688 3.960 0.001 0.000 0.239 355 G HA3 -0.272 3.688 3.960 0.001 0.000 0.239 355 G C -0.005 174.976 174.900 0.136 0.000 0.982 355 G CA -0.034 45.144 45.100 0.130 0.000 0.650 355 G HN 0.294 nan 8.290 nan 0.000 0.527 356 I N 1.464 122.125 120.570 0.151 0.000 2.339 356 I HA 0.602 4.773 4.170 0.001 0.000 0.290 356 I C 0.642 176.820 176.117 0.101 0.000 0.994 356 I CA -0.519 60.865 61.300 0.139 0.000 1.191 356 I CB 1.824 39.927 38.000 0.171 0.000 1.343 356 I HN 0.236 nan 8.210 nan 0.000 0.458 357 A N 7.503 130.370 122.820 0.078 0.000 2.260 357 A HA 0.686 5.007 4.320 0.001 0.000 0.312 357 A C -0.187 177.375 177.584 -0.036 0.000 1.321 357 A CA -0.427 51.627 52.037 0.027 0.000 0.928 357 A CB 0.426 19.462 19.000 0.059 0.000 1.158 357 A HN 0.602 nan 8.150 nan 0.000 0.542 358 V N 0.563 120.478 119.914 0.002 0.000 3.113 358 V HA 0.744 4.865 4.120 0.001 0.000 0.316 358 V C -0.076 176.023 176.094 0.007 0.000 1.125 358 V CA -1.271 61.035 62.300 0.011 0.000 1.026 358 V CB 1.632 33.507 31.823 0.086 0.000 1.080 358 V HN 0.931 nan 8.190 nan 0.000 0.444 359 R N 0.948 121.472 120.500 0.040 0.000 2.428 359 R HA 0.723 5.064 4.340 0.001 0.000 0.294 359 R C -0.377 175.996 176.300 0.122 0.000 1.000 359 R CA 0.277 56.431 56.100 0.089 0.000 0.960 359 R CB 1.591 32.001 30.300 0.183 0.000 1.076 359 R HN 1.164 nan 8.270 nan 0.000 0.475 360 T N 0.187 114.736 114.554 -0.009 0.000 2.907 360 T HA 0.837 5.188 4.350 0.001 0.000 0.292 360 T C 0.236 174.779 174.700 -0.262 0.000 1.043 360 T CA 0.025 62.085 62.100 -0.067 0.000 1.003 360 T CB 2.077 70.934 68.868 -0.017 0.000 1.084 360 T HN 0.870 nan 8.240 nan 0.000 0.483 361 G N 1.400 110.012 108.800 -0.314 0.000 2.265 361 G HA2 0.009 3.970 3.960 0.001 0.000 0.246 361 G HA3 0.009 3.970 3.960 0.001 0.000 0.246 361 G C 0.231 174.844 174.900 -0.478 0.000 1.299 361 G CA 0.008 44.877 45.100 -0.384 0.000 1.117 361 G HN 1.335 nan 8.290 nan 0.000 0.485 362 H N -0.517 118.376 119.070 -0.296 0.000 2.551 362 H HA 0.221 4.778 4.556 0.002 0.000 0.271 362 H C 0.832 176.055 175.328 -0.176 0.000 0.984 362 H CA 0.678 56.624 56.048 -0.171 0.000 1.164 362 H CB -0.048 29.683 29.762 -0.052 0.000 1.437 362 H HN 0.728 nan 8.280 nan 0.000 0.550 363 H N -0.027 119.049 119.070 0.010 0.000 2.820 363 H HA -0.153 4.404 4.556 0.001 0.000 0.295 363 H C 0.398 175.651 175.328 -0.125 0.000 1.187 363 H CA 0.817 56.849 56.048 -0.027 0.000 1.144 363 H CB -2.402 27.340 29.762 -0.033 0.000 1.354 363 H HN 0.664 nan 8.280 nan 0.000 0.395 364 C N -1.346 117.936 119.300 -0.029 0.000 4.235 364 C HA -0.060 4.401 4.460 0.001 0.000 0.301 364 C C 1.372 175.625 174.990 -1.227 0.000 1.409 364 C CA 0.845 59.410 59.018 -0.753 0.000 2.024 364 C CB -2.275 24.886 27.740 -0.964 0.000 1.286 364 C HN 1.011 nan 8.230 nan 0.000 0.746 365 A N -1.348 121.115 122.820 -0.595 0.000 3.453 365 A HA 0.620 4.941 4.320 0.001 0.000 0.262 365 A C 0.730 178.289 177.584 -0.043 0.000 1.026 365 A CA -0.125 51.744 52.037 -0.281 0.000 0.938 365 A CB 0.172 19.125 19.000 -0.078 0.000 1.246 365 A HN 0.420 nan 8.150 nan 0.000 0.546 366 M N 0.149 119.792 119.600 0.071 0.000 2.117 366 M HA -0.082 4.399 4.480 0.001 0.000 0.262 366 M C -0.745 175.595 176.300 0.066 0.000 1.065 366 M CA 2.097 57.426 55.300 0.048 0.000 1.114 366 M CB -0.987 31.598 32.600 -0.025 0.000 1.361 366 M HN 0.339 nan 8.290 nan 0.000 0.408 367 P HA -0.152 nan 4.420 nan 0.000 0.218 367 P C 1.458 178.812 177.300 0.090 0.000 1.149 367 P CA 0.962 64.103 63.100 0.069 0.000 0.817 367 P CB -0.096 31.641 31.700 0.062 0.000 0.785 368 L N -1.659 119.622 121.223 0.096 0.000 2.072 368 L HA -0.064 4.277 4.340 0.001 0.000 0.205 368 L C 2.006 178.998 176.870 0.204 0.000 1.079 368 L CA 2.021 56.945 54.840 0.141 0.000 0.752 368 L CB -1.266 40.864 42.059 0.118 0.000 0.906 368 L HN -0.127 nan 8.230 nan 0.000 0.436 369 M N -0.300 119.380 119.600 0.133 0.000 2.117 369 M HA -0.092 4.388 4.480 0.001 0.000 0.262 369 M C 2.441 178.799 176.300 0.097 0.000 1.065 369 M CA 1.726 57.090 55.300 0.105 0.000 1.114 369 M CB -1.827 30.820 32.600 0.078 0.000 1.361 369 M HN 0.417 nan 8.290 nan 0.000 0.408 370 A N -0.613 122.254 122.820 0.078 0.000 1.902 370 A HA -0.227 4.094 4.320 0.001 0.000 0.217 370 A C 2.168 179.763 177.584 0.018 0.000 1.181 370 A CA 1.540 53.603 52.037 0.044 0.000 0.623 370 A CB -1.241 17.782 19.000 0.038 0.000 0.818 370 A HN 0.528 nan 8.150 nan 0.000 0.443 371 Y N -0.888 119.370 120.300 -0.070 0.000 2.165 371 Y HA -0.263 4.288 4.550 0.001 0.000 0.286 371 Y C 1.764 177.511 175.900 -0.256 0.000 1.155 371 Y CA 2.010 59.998 58.100 -0.187 0.000 1.164 371 Y CB -0.412 37.879 38.460 -0.281 0.000 0.978 371 Y HN 0.371 nan 8.280 nan 0.000 0.513 372 Y N 0.841 121.079 120.300 -0.103 0.000 2.490 372 Y HA 0.092 4.643 4.550 0.002 0.000 0.281 372 Y C 0.506 176.341 175.900 -0.107 0.000 1.174 372 Y CA 0.484 58.505 58.100 -0.131 0.000 1.295 372 Y CB -0.945 37.474 38.460 -0.070 0.000 1.062 372 Y HN 0.247 nan 8.280 nan 0.000 0.522 373 N N -0.714 117.980 118.700 -0.010 0.000 2.740 373 N HA -0.152 4.589 4.740 0.001 0.000 0.248 373 N C -1.156 174.373 175.510 0.032 0.000 1.062 373 N CA 0.568 53.617 53.050 -0.002 0.000 0.704 373 N CB -1.419 37.055 38.487 -0.022 0.000 0.968 373 N HN 0.147 nan 8.380 nan 0.000 0.547 374 V N -3.879 116.052 119.914 0.030 0.000 2.962 374 V HA 0.677 4.798 4.120 0.001 0.000 0.313 374 V C -1.674 174.420 176.094 0.001 0.000 1.099 374 V CA -1.482 60.819 62.300 0.002 0.000 0.971 374 V CB 2.225 34.019 31.823 -0.047 0.000 1.028 374 V HN -0.182 nan 8.190 nan 0.000 0.430 375 P HA 0.286 nan 4.420 nan 0.000 0.221 375 P C 0.360 177.677 177.300 0.028 0.000 1.155 375 P CA 1.476 64.599 63.100 0.038 0.000 0.812 375 P CB 0.601 32.350 31.700 0.081 0.000 0.801 376 A N -1.297 121.484 122.820 -0.066 0.000 2.581 376 A HA 0.803 5.124 4.320 0.001 0.000 0.290 376 A C -1.270 176.234 177.584 -0.133 0.000 1.119 376 A CA -0.606 51.380 52.037 -0.084 0.000 0.670 376 A CB 1.047 19.986 19.000 -0.101 0.000 1.280 376 A HN -0.064 nan 8.150 nan 0.000 0.425 377 M N -0.361 119.199 119.600 -0.067 0.000 2.622 377 M HA 0.435 4.915 4.480 0.001 0.000 0.276 377 M C -1.222 175.065 176.300 -0.021 0.000 1.265 377 M CA -0.401 54.852 55.300 -0.078 0.000 0.850 377 M CB 2.289 34.815 32.600 -0.124 0.000 1.720 377 M HN 0.695 nan 8.290 nan 0.000 0.465 378 C N 1.033 120.137 119.300 -0.326 0.000 2.364 378 C HA 0.767 5.227 4.460 0.001 0.000 0.356 378 C C 0.042 174.710 174.990 -0.538 0.000 1.201 378 C CA -0.531 58.181 59.018 -0.509 0.000 2.227 378 C CB 1.170 28.188 27.740 -1.203 0.000 2.387 378 C HN 0.823 nan 8.230 nan 0.000 0.546 379 R N 1.114 121.459 120.500 -0.259 0.000 2.515 379 R HA 0.600 4.941 4.340 0.001 0.000 0.291 379 R C -1.157 175.169 176.300 0.042 0.000 1.046 379 R CA -0.119 55.891 56.100 -0.151 0.000 0.914 379 R CB 1.200 31.292 30.300 -0.346 0.000 1.191 379 R HN 0.898 nan 8.270 nan 0.000 0.435 380 A N 2.760 125.690 122.820 0.183 0.000 2.292 380 A HA 0.571 4.892 4.320 0.001 0.000 0.319 380 A C -0.686 176.931 177.584 0.054 0.000 1.206 380 A CA -0.516 51.608 52.037 0.145 0.000 0.835 380 A CB 1.397 20.513 19.000 0.193 0.000 1.164 380 A HN 0.682 nan 8.150 nan 0.000 0.505 381 S N 1.567 117.279 115.700 0.020 0.000 2.489 381 S HA 0.582 5.053 4.470 0.001 0.000 0.291 381 S C -0.459 174.161 174.600 0.033 0.000 1.151 381 S CA -0.408 57.803 58.200 0.017 0.000 1.082 381 S CB 0.807 64.019 63.200 0.020 0.000 1.019 381 S HN 0.546 nan 8.310 nan 0.000 0.492 382 L N 2.885 124.118 121.223 0.016 0.000 2.387 382 L HA 0.535 4.876 4.340 0.001 0.000 0.259 382 L C 0.407 177.291 176.870 0.024 0.000 1.050 382 L CA -0.485 54.365 54.840 0.016 0.000 0.922 382 L CB 0.547 42.583 42.059 -0.039 0.000 1.280 382 L HN 0.732 nan 8.230 nan 0.000 0.449 383 A N 3.151 125.998 122.820 0.046 0.000 2.240 383 A HA 0.464 4.785 4.320 0.001 0.000 0.292 383 A C 1.294 178.869 177.584 -0.014 0.000 1.121 383 A CA -0.537 51.488 52.037 -0.020 0.000 0.851 383 A CB 0.614 19.484 19.000 -0.217 0.000 1.167 383 A HN 0.841 nan 8.150 nan 0.000 0.503 384 M N -0.855 118.703 119.600 -0.069 0.000 2.358 384 M HA -0.104 4.377 4.480 0.001 0.000 0.264 384 M C 0.974 177.361 176.300 0.145 0.000 1.064 384 M CA 2.115 57.439 55.300 0.039 0.000 1.093 384 M CB -0.634 31.964 32.600 -0.003 0.000 1.401 384 M HN 0.769 nan 8.290 nan 0.000 0.440 385 Y N -0.311 120.055 120.300 0.111 0.000 2.468 385 Y HA 0.510 5.061 4.550 0.001 0.000 0.268 385 Y C -0.493 175.472 175.900 0.109 0.000 1.177 385 Y CA -1.904 56.206 58.100 0.018 0.000 1.265 385 Y CB -1.829 36.453 38.460 -0.297 0.000 1.103 385 Y HN 0.258 nan 8.280 nan 0.000 0.522 386 N N 0.795 119.752 118.700 0.427 0.000 2.493 386 N HA 0.454 5.195 4.740 0.001 0.000 0.275 386 N C -0.020 175.692 175.510 0.338 0.000 1.186 386 N CA -0.002 53.258 53.050 0.350 0.000 0.978 386 N CB 0.994 39.635 38.487 0.257 0.000 1.184 386 N HN 0.337 nan 8.380 nan 0.000 0.487 387 T N -2.724 111.978 114.554 0.248 0.000 2.926 387 T HA 0.310 4.661 4.350 0.001 0.000 0.289 387 T C 0.562 175.345 174.700 0.137 0.000 1.054 387 T CA -0.488 61.767 62.100 0.257 0.000 1.015 387 T CB 1.035 70.040 68.868 0.229 0.000 1.167 387 T HN 0.425 nan 8.240 nan 0.000 0.526 388 H N -0.164 118.925 119.070 0.032 0.000 2.387 388 H HA -0.011 4.546 4.556 0.002 0.000 0.299 388 H C 2.172 177.545 175.328 0.075 0.000 1.099 388 H CA 2.205 58.211 56.048 -0.070 0.000 1.315 388 H CB 0.067 29.608 29.762 -0.367 0.000 1.380 388 H HN 0.866 nan 8.280 nan 0.000 0.513 389 E N 0.884 121.195 120.200 0.185 0.000 2.077 389 E HA -0.200 4.151 4.350 0.001 0.000 0.193 389 E C 1.641 178.316 176.600 0.125 0.000 0.989 389 E CA 1.192 57.675 56.400 0.139 0.000 0.800 389 E CB 0.102 29.865 29.700 0.106 0.000 0.746 389 E HN 0.620 nan 8.360 nan 0.000 0.452 390 E N -0.085 120.191 120.200 0.126 0.000 2.106 390 E HA -0.141 4.210 4.350 0.001 0.000 0.192 390 E C 2.191 178.851 176.600 0.100 0.000 0.984 390 E CA 1.117 57.584 56.400 0.112 0.000 0.806 390 E CB 0.153 29.929 29.700 0.126 0.000 0.750 390 E HN 0.137 nan 8.360 nan 0.000 0.458 391 V N 2.088 122.069 119.914 0.111 0.000 2.343 391 V HA -0.256 3.865 4.120 0.001 0.000 0.247 391 V C 1.667 177.813 176.094 0.087 0.000 1.051 391 V CA 1.960 64.316 62.300 0.094 0.000 1.036 391 V CB -0.427 31.484 31.823 0.147 0.000 0.654 391 V HN 0.222 nan 8.190 nan 0.000 0.451 392 D N -0.073 120.416 120.400 0.149 0.000 2.117 392 D HA -0.156 4.485 4.640 0.001 0.000 0.197 392 D C 2.391 178.715 176.300 0.041 0.000 0.987 392 D CA 1.212 55.273 54.000 0.101 0.000 0.829 392 D CB -0.278 40.603 40.800 0.135 0.000 0.961 392 D HN 0.398 nan 8.370 nan 0.000 0.460 393 R N -0.042 120.486 120.500 0.047 0.000 2.096 393 R HA -0.085 4.256 4.340 0.001 0.000 0.235 393 R C 2.283 178.591 176.300 0.013 0.000 1.127 393 R CA 0.437 56.548 56.100 0.019 0.000 0.968 393 R CB -0.327 29.999 30.300 0.043 0.000 0.861 393 R HN 0.146 nan 8.270 nan 0.000 0.440 394 L N 0.523 121.763 121.223 0.029 0.000 2.027 394 L HA -0.126 4.215 4.340 0.001 0.000 0.206 394 L C 1.997 178.846 176.870 -0.035 0.000 1.074 394 L CA 1.573 56.425 54.840 0.021 0.000 0.745 394 L CB -0.286 41.776 42.059 0.005 0.000 0.898 394 L HN -0.111 nan 8.230 nan 0.000 0.433 395 V N -0.534 119.341 119.914 -0.064 0.000 2.295 395 V HA -0.293 3.828 4.120 0.001 0.000 0.246 395 V C 2.496 178.548 176.094 -0.070 0.000 1.049 395 V CA 2.266 64.508 62.300 -0.097 0.000 1.024 395 V CB -1.082 30.677 31.823 -0.106 0.000 0.648 395 V HN 0.557 nan 8.190 nan 0.000 0.447 396 T N 0.328 114.846 114.554 -0.060 0.000 2.708 396 T HA -0.133 4.218 4.350 0.001 0.000 0.266 396 T C 1.908 176.551 174.700 -0.094 0.000 1.037 396 T CA 1.624 63.678 62.100 -0.076 0.000 1.146 396 T CB -0.706 68.108 68.868 -0.089 0.000 0.865 396 T HN 0.628 nan 8.240 nan 0.000 0.435 397 G N 1.230 109.973 108.800 -0.095 0.000 2.440 397 G HA2 -0.136 3.825 3.960 0.001 0.000 0.218 397 G HA3 -0.136 3.825 3.960 0.001 0.000 0.218 397 G C 1.497 176.469 174.900 0.120 0.000 1.154 397 G CA 0.496 45.577 45.100 -0.032 0.000 0.767 397 G HN 0.443 nan 8.290 nan 0.000 0.552 398 L N -0.349 120.911 121.223 0.061 0.000 2.093 398 L HA -0.081 4.260 4.340 0.001 0.000 0.208 398 L C 3.127 180.022 176.870 0.043 0.000 1.085 398 L CA 1.003 55.876 54.840 0.054 0.000 0.755 398 L CB -0.402 41.630 42.059 -0.045 0.000 0.904 398 L HN 0.275 nan 8.230 nan 0.000 0.435 399 Q N -0.377 119.427 119.800 0.006 0.000 2.079 399 Q HA -0.170 4.170 4.340 0.001 0.000 0.200 399 Q C 2.400 178.425 176.000 0.041 0.000 0.974 399 Q CA 1.314 57.131 55.803 0.023 0.000 0.840 399 Q CB -0.020 28.711 28.738 -0.013 0.000 0.898 399 Q HN 0.423 nan 8.270 nan 0.000 0.430 400 R N 0.199 120.705 120.500 0.010 0.000 2.075 400 R HA -0.096 4.245 4.340 0.001 0.000 0.232 400 R C 2.278 178.571 176.300 -0.012 0.000 1.126 400 R CA 1.164 57.268 56.100 0.005 0.000 0.963 400 R CB -0.376 29.916 30.300 -0.014 0.000 0.858 400 R HN 0.282 nan 8.270 nan 0.000 0.435 401 I N -0.193 120.372 120.570 -0.008 0.000 2.163 401 I HA -0.332 3.839 4.170 0.001 0.000 0.243 401 I C 2.716 178.714 176.117 -0.198 0.000 1.085 401 I CA 1.402 62.567 61.300 -0.226 0.000 1.347 401 I CB -0.517 37.373 38.000 -0.183 0.000 1.044 401 I HN 0.301 nan 8.210 nan 0.000 0.408 402 H N 1.396 120.402 119.070 -0.107 0.000 2.353 402 H HA -0.122 4.435 4.556 0.001 0.000 0.300 402 H C 2.500 177.813 175.328 -0.025 0.000 1.090 402 H CA 1.538 57.578 56.048 -0.012 0.000 1.327 402 H CB 0.203 29.993 29.762 0.046 0.000 1.383 402 H HN 0.232 nan 8.280 nan 0.000 0.508 403 R N -0.139 120.336 120.500 -0.042 0.000 2.073 403 R HA -0.145 4.196 4.340 0.001 0.000 0.234 403 R C 2.533 178.761 176.300 -0.119 0.000 1.134 403 R CA 1.374 57.423 56.100 -0.085 0.000 0.952 403 R CB -0.247 30.035 30.300 -0.030 0.000 0.850 403 R HN 0.203 nan 8.270 nan 0.000 0.433 404 L N 0.732 121.874 121.223 -0.134 0.000 2.017 404 L HA -0.123 4.218 4.340 0.001 0.000 0.208 404 L C 1.783 178.551 176.870 -0.169 0.000 1.073 404 L CA 1.787 56.542 54.840 -0.142 0.000 0.745 404 L CB -0.176 41.775 42.059 -0.180 0.000 0.894 404 L HN 0.151 nan 8.230 nan 0.000 0.432 405 L N -1.055 120.002 121.223 -0.277 0.000 2.529 405 L HA 0.240 4.581 4.340 0.001 0.000 0.223 405 L C 1.390 178.221 176.870 -0.065 0.000 1.113 405 L CA 0.074 54.764 54.840 -0.250 0.000 0.861 405 L CB -0.894 40.800 42.059 -0.608 0.000 1.012 405 L HN 0.332 nan 8.230 nan 0.000 0.461 406 G N 0.000 108.736 108.800 -0.106 0.000 5.446 406 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 406 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 406 G CA 0.000 45.052 45.100 -0.081 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925