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 1o9j_1_B DATA FIRST_RESID 7 DATA SEQUENCE DLPAPLTNIK IQHTKLFINN EWHESVSGKT FPVFNPATEE KICEVEEADK DATA SEQUENCE EDVDKAVKAA REAFQMGSPW RTMDASERGQ LIYKLADLIE RDRLLLATLE DATA SEQUENCE SINAGKVFAS AYLMDLDYCI KALRYCAGWA DKIQGRTIPV DGEFFSYTRH DATA SEQUENCE EPIGVCGLIF PWNAPMILLA CKIGPALCCG NTVIVKPAEQ TPLTALHVAS DATA SEQUENCE LIKEAGFPPG VVNIVPGYGP TAGAAISSHM DVDKVAFTGS TEVGKMIQEA DATA SEQUENCE AAKSNLKRVT LELGAKNPCI VFADADLDSA VEFAHQGVFT NQGQSCIAAS DATA SEQUENCE KLFVEEAIYD EFVQRSVERA KKYVFGNPLT PGVNHGPQIN KAQHNKIMEL DATA SEQUENCE IESGKKEGAK LECGGGPWGN KGYFIQPTVF SNVTDDMRIA KEEIFGPVQQ DATA SEQUENCE IMKFKSLDEV IKRANNTYYG LVAGVFTKDL DKAVTVSSAL QAGTVWVNCY DATA SEQUENCE LAASAQSPAG GFKMSGHGRE MGEYGIHEYT EVKTVTMKIS EKNS 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.400 176.300 0.167 0.000 2.045 7 D CA 0.000 54.069 54.000 0.114 0.000 0.868 7 D CB 0.000 40.843 40.800 0.072 0.000 0.688 8 L N 2.259 123.516 121.223 0.056 0.000 2.555 8 L HA 0.636 4.957 4.340 -0.032 0.000 0.264 8 L C -2.616 174.175 176.870 -0.131 0.000 0.972 8 L CA -1.067 53.726 54.840 -0.079 0.000 0.876 8 L CB 1.280 43.329 42.059 -0.016 0.000 1.216 8 L HN -0.063 nan 8.230 nan 0.000 0.415 9 P HA 0.664 nan 4.420 nan 0.000 0.293 9 P C -1.157 176.107 177.300 -0.059 0.000 1.304 9 P CA -0.704 62.319 63.100 -0.129 0.000 0.767 9 P CB 0.693 32.319 31.700 -0.124 0.000 1.247 10 A N 0.747 123.517 122.820 -0.083 0.000 2.327 10 A HA 0.570 4.871 4.320 -0.032 0.000 0.283 10 A C -2.128 175.270 177.584 -0.310 0.000 1.127 10 A CA -1.350 50.591 52.037 -0.159 0.000 0.810 10 A CB -0.788 18.134 19.000 -0.130 0.000 1.066 10 A HN 0.451 nan 8.150 nan 0.000 0.492 11 P HA 0.134 nan 4.420 nan 0.000 0.269 11 P C -0.604 176.469 177.300 -0.378 0.000 1.215 11 P CA -0.042 62.521 63.100 -0.894 0.000 0.780 11 P CB 0.427 31.350 31.700 -1.294 0.000 0.898 12 L N 2.090 123.171 121.223 -0.238 0.000 2.418 12 L HA 0.040 4.361 4.340 -0.032 0.000 0.274 12 L C 1.956 178.745 176.870 -0.135 0.000 1.135 12 L CA 0.022 54.783 54.840 -0.133 0.000 0.870 12 L CB 0.131 42.148 42.059 -0.069 0.000 1.154 12 L HN 0.527 nan 8.230 nan 0.000 0.462 13 T N -1.319 113.168 114.554 -0.113 0.000 2.985 13 T HA -0.040 4.291 4.350 -0.032 0.000 0.266 13 T C 1.016 175.670 174.700 -0.076 0.000 1.076 13 T CA 0.621 62.660 62.100 -0.102 0.000 1.135 13 T CB 0.055 68.870 68.868 -0.088 0.000 0.890 13 T HN 0.556 nan 8.240 nan 0.000 0.480 14 N N 0.465 119.126 118.700 -0.065 0.000 2.598 14 N HA 0.326 5.046 4.740 -0.032 0.000 0.295 14 N C -0.699 174.782 175.510 -0.049 0.000 1.729 14 N CA -0.242 52.777 53.050 -0.052 0.000 0.877 14 N CB 0.884 39.343 38.487 -0.046 0.000 1.405 14 N HN 0.401 nan 8.380 nan 0.000 0.491 15 I N 2.043 122.582 120.570 -0.052 0.000 2.948 15 I HA -0.190 3.961 4.170 -0.032 0.000 0.303 15 I C 0.222 176.308 176.117 -0.052 0.000 1.224 15 I CA 0.553 61.824 61.300 -0.050 0.000 1.442 15 I CB 0.409 38.382 38.000 -0.046 0.000 1.328 15 I HN 0.141 nan 8.210 nan 0.000 0.578 16 K N 6.905 127.269 120.400 -0.059 0.000 2.358 16 K HA 0.499 4.800 4.320 -0.032 0.000 0.260 16 K C -0.966 175.581 176.600 -0.088 0.000 0.956 16 K CA -0.634 55.612 56.287 -0.069 0.000 0.834 16 K CB 1.422 33.882 32.500 -0.066 0.000 1.102 16 K HN 0.313 nan 8.250 nan 0.000 0.431 17 I N 3.739 124.254 120.570 -0.091 0.000 2.668 17 I HA -0.066 4.085 4.170 -0.032 0.000 0.285 17 I C 1.091 177.111 176.117 -0.162 0.000 1.168 17 I CA 0.598 61.834 61.300 -0.107 0.000 1.424 17 I CB 0.744 38.687 38.000 -0.095 0.000 1.377 17 I HN 0.749 nan 8.210 nan 0.000 0.560 18 Q N 4.226 123.882 119.800 -0.241 0.000 2.387 18 Q HA 0.156 4.477 4.340 -0.032 0.000 0.208 18 Q C -0.113 175.557 176.000 -0.550 0.000 0.935 18 Q CA 1.089 56.618 55.803 -0.458 0.000 0.891 18 Q CB 0.364 28.665 28.738 -0.729 0.000 1.007 18 Q HN 0.534 nan 8.270 nan 0.000 0.548 19 H N 0.188 119.144 119.070 -0.189 0.000 2.587 19 H HA 0.322 4.859 4.556 -0.032 0.000 0.325 19 H C 0.318 175.508 175.328 -0.229 0.000 1.012 19 H CA 0.223 56.045 56.048 -0.378 0.000 1.213 19 H CB 1.220 30.757 29.762 -0.374 0.000 1.431 19 H HN 0.120 nan 8.280 nan 0.000 0.492 20 T N -0.493 113.979 114.554 -0.137 0.000 3.087 20 T HA 0.244 4.575 4.350 -0.032 0.000 0.283 20 T C 0.497 175.209 174.700 0.020 0.000 0.956 20 T CA -0.403 61.659 62.100 -0.062 0.000 0.894 20 T CB 0.837 69.641 68.868 -0.106 0.000 1.160 20 T HN 0.226 nan 8.240 nan 0.000 0.532 21 K N 1.213 121.665 120.400 0.087 0.000 2.132 21 K HA 0.636 4.937 4.320 -0.032 0.000 0.241 21 K C -0.250 176.631 176.600 0.469 0.000 1.000 21 K CA -0.894 55.559 56.287 0.277 0.000 0.911 21 K CB 1.348 34.053 32.500 0.340 0.000 1.093 21 K HN 0.159 nan 8.250 nan 0.000 0.460 22 L N 1.547 122.995 121.223 0.375 0.000 2.426 22 L HA 0.185 4.506 4.340 -0.032 0.000 0.271 22 L C -0.082 176.967 176.870 0.299 0.000 1.169 22 L CA -0.145 54.873 54.840 0.297 0.000 0.836 22 L CB -0.114 42.053 42.059 0.179 0.000 1.112 22 L HN 0.450 nan 8.230 nan 0.000 0.465 23 F N 4.982 124.904 119.950 -0.046 0.000 2.325 23 F HA 0.556 5.064 4.527 -0.032 0.000 0.369 23 F C -0.347 175.245 175.800 -0.347 0.000 1.095 23 F CA -0.461 57.326 58.000 -0.355 0.000 1.082 23 F CB 0.369 39.075 39.000 -0.489 0.000 1.289 23 F HN 0.165 nan 8.300 nan 0.000 0.462 24 I N 5.064 125.149 120.570 -0.809 0.000 2.498 24 I HA 0.239 4.390 4.170 -0.032 0.000 0.290 24 I C 0.230 175.884 176.117 -0.771 0.000 1.032 24 I CA -1.073 59.784 61.300 -0.738 0.000 1.073 24 I CB 1.882 39.448 38.000 -0.724 0.000 1.251 24 I HN 0.619 nan 8.210 nan 0.000 0.426 25 N N 3.923 122.280 118.700 -0.573 0.000 2.721 25 N HA -0.235 4.486 4.740 -0.032 0.000 0.249 25 N C -0.167 175.050 175.510 -0.488 0.000 1.072 25 N CA 0.442 53.245 53.050 -0.412 0.000 0.710 25 N CB -0.620 37.721 38.487 -0.242 0.000 0.993 25 N HN 0.782 nan 8.380 nan 0.000 0.547 26 N N -0.947 117.235 118.700 -0.863 0.000 2.776 26 N HA -0.164 4.557 4.740 -0.032 0.000 0.250 26 N C -1.377 173.727 175.510 -0.678 0.000 1.112 26 N CA 1.592 54.155 53.050 -0.812 0.000 0.733 26 N CB -0.478 37.850 38.487 -0.264 0.000 1.097 26 N HN 0.559 nan 8.380 nan 0.000 0.558 27 E N -1.236 118.469 120.200 -0.825 0.000 2.393 27 E HA 0.348 4.679 4.350 -0.032 0.000 0.273 27 E C -0.440 175.936 176.600 -0.372 0.000 0.918 27 E CA -0.523 55.631 56.400 -0.410 0.000 0.773 27 E CB 0.580 30.255 29.700 -0.043 0.000 1.275 27 E HN 0.136 nan 8.360 nan 0.000 0.451 28 W N 1.585 122.989 121.300 0.175 0.000 2.331 28 W HA 0.291 4.932 4.660 -0.032 0.000 0.306 28 W C 0.664 177.359 176.519 0.294 0.000 1.162 28 W CA -0.249 57.228 57.345 0.220 0.000 1.232 28 W CB 0.616 30.182 29.460 0.177 0.000 1.235 28 W HN 0.191 nan 8.180 nan 0.000 0.479 29 H N 1.779 120.994 119.070 0.242 0.000 2.572 29 H HA 0.150 4.687 4.556 -0.032 0.000 0.359 29 H C -0.114 175.305 175.328 0.151 0.000 1.134 29 H CA -1.057 55.075 56.048 0.140 0.000 1.187 29 H CB 2.099 31.899 29.762 0.063 0.000 1.597 29 H HN 0.475 nan 8.280 nan 0.000 0.524 30 E N 2.151 122.469 120.200 0.196 0.000 2.374 30 E HA 0.141 4.472 4.350 -0.032 0.000 0.260 30 E C -0.295 176.395 176.600 0.150 0.000 1.101 30 E CA -0.753 55.734 56.400 0.144 0.000 0.907 30 E CB 0.924 30.675 29.700 0.084 0.000 1.014 30 E HN 0.577 nan 8.360 nan 0.000 0.427 31 S N 1.670 117.449 115.700 0.132 0.000 2.593 31 S HA 0.031 4.482 4.470 -0.032 0.000 0.269 31 S C 1.121 175.780 174.600 0.098 0.000 1.334 31 S CA -0.629 57.646 58.200 0.125 0.000 1.015 31 S CB 1.471 64.748 63.200 0.128 0.000 0.912 31 S HN 0.479 nan 8.310 nan 0.000 0.541 32 V N 1.935 121.903 119.914 0.089 0.000 2.358 32 V HA -0.141 3.960 4.120 -0.032 0.000 0.246 32 V C 2.884 179.013 176.094 0.059 0.000 1.047 32 V CA 2.215 64.557 62.300 0.069 0.000 1.035 32 V CB -1.260 30.602 31.823 0.064 0.000 0.658 32 V HN 1.088 nan 8.190 nan 0.000 0.452 33 S N -0.110 115.628 115.700 0.063 0.000 2.481 33 S HA 0.089 4.539 4.470 -0.032 0.000 0.231 33 S C 1.784 176.417 174.600 0.055 0.000 0.996 33 S CA 1.146 59.379 58.200 0.055 0.000 0.942 33 S CB 0.192 63.426 63.200 0.057 0.000 0.768 33 S HN 1.171 nan 8.310 nan 0.000 0.520 34 G N 0.859 109.697 108.800 0.063 0.000 2.225 34 G HA2 -0.274 3.667 3.960 -0.032 0.000 0.254 34 G HA3 -0.274 3.667 3.960 -0.032 0.000 0.254 34 G C 0.057 174.999 174.900 0.070 0.000 0.988 34 G CA 0.225 45.361 45.100 0.059 0.000 0.625 34 G HN 0.609 nan 8.290 nan 0.000 0.527 35 K N 1.406 121.858 120.400 0.086 0.000 2.355 35 K HA 0.510 4.811 4.320 -0.032 0.000 0.270 35 K C 0.646 177.329 176.600 0.138 0.000 1.003 35 K CA 0.882 57.233 56.287 0.107 0.000 0.957 35 K CB 0.669 33.240 32.500 0.119 0.000 0.939 35 K HN 0.459 nan 8.250 nan 0.000 0.482 36 T N -0.754 113.885 114.554 0.142 0.000 2.903 36 T HA 0.640 4.971 4.350 -0.032 0.000 0.299 36 T C -0.838 173.992 174.700 0.217 0.000 1.093 36 T CA -1.048 61.141 62.100 0.148 0.000 1.002 36 T CB 0.737 69.624 68.868 0.031 0.000 1.127 36 T HN 0.452 nan 8.240 nan 0.000 0.488 37 F N 0.219 120.218 119.950 0.081 0.000 2.546 37 F HA 0.904 5.412 4.527 -0.032 0.000 0.320 37 F C -3.030 172.782 175.800 0.021 0.000 1.076 37 F CA -3.036 55.033 58.000 0.115 0.000 0.928 37 F CB 1.418 40.571 39.000 0.256 0.000 1.189 37 F HN 0.413 nan 8.300 nan 0.000 0.465 38 P HA 0.396 nan 4.420 nan 0.000 0.279 38 P C -1.284 175.861 177.300 -0.258 0.000 1.252 38 P CA -0.447 62.519 63.100 -0.222 0.000 0.811 38 P CB 2.336 33.873 31.700 -0.272 0.000 1.035 39 V N 2.379 121.995 119.914 -0.496 0.000 2.686 39 V HA 0.443 4.544 4.120 -0.032 0.000 0.306 39 V C -0.392 175.454 176.094 -0.413 0.000 1.065 39 V CA -0.311 61.819 62.300 -0.284 0.000 0.894 39 V CB 1.303 33.008 31.823 -0.195 0.000 1.004 39 V HN 0.400 nan 8.190 nan 0.000 0.424 40 F N 2.070 122.041 119.950 0.035 0.000 2.556 40 F HA 0.544 5.052 4.527 -0.032 0.000 0.327 40 F C 0.414 176.230 175.800 0.026 0.000 1.059 40 F CA -0.732 57.289 58.000 0.035 0.000 0.953 40 F CB 1.637 40.676 39.000 0.064 0.000 1.227 40 F HN 0.420 nan 8.300 nan 0.000 0.478 41 N N 3.110 121.941 118.700 0.218 0.000 2.437 41 N HA 0.269 4.990 4.740 -0.032 0.000 0.259 41 N C -2.060 173.492 175.510 0.070 0.000 0.983 41 N CA -2.411 50.704 53.050 0.108 0.000 0.937 41 N CB 1.582 40.106 38.487 0.062 0.000 1.122 41 N HN 0.172 nan 8.380 nan 0.000 0.499 42 P HA 0.023 nan 4.420 nan 0.000 0.237 42 P C 0.489 177.633 177.300 -0.261 0.000 1.178 42 P CA 0.493 63.585 63.100 -0.013 0.000 0.766 42 P CB 0.385 32.110 31.700 0.042 0.000 0.876 43 A N 0.082 122.798 122.820 -0.172 0.000 2.095 43 A HA 0.048 4.349 4.320 -0.032 0.000 0.212 43 A C 1.975 179.523 177.584 -0.059 0.000 1.162 43 A CA 1.564 53.505 52.037 -0.160 0.000 0.753 43 A CB -0.979 18.051 19.000 0.051 0.000 0.840 43 A HN 0.326 nan 8.150 nan 0.000 0.468 44 T N -4.072 110.440 114.554 -0.070 0.000 2.985 44 T HA 0.227 4.558 4.350 -0.032 0.000 0.254 44 T C 0.383 175.029 174.700 -0.090 0.000 1.021 44 T CA 0.723 62.797 62.100 -0.042 0.000 0.957 44 T CB -0.182 68.688 68.868 0.003 0.000 1.047 44 T HN 0.517 nan 8.240 nan 0.000 0.511 45 E N 0.582 120.694 120.200 -0.146 0.000 2.971 45 E HA -0.180 4.151 4.350 -0.032 0.000 0.278 45 E C -0.510 176.151 176.600 0.102 0.000 1.009 45 E CA 0.620 56.961 56.400 -0.098 0.000 0.862 45 E CB -1.842 27.733 29.700 -0.209 0.000 1.436 45 E HN 0.718 nan 8.360 nan 0.000 0.434 46 E N 1.138 121.421 120.200 0.139 0.000 2.231 46 E HA 0.263 4.594 4.350 -0.032 0.000 0.277 46 E C -0.049 176.695 176.600 0.241 0.000 0.999 46 E CA -0.674 55.828 56.400 0.171 0.000 0.827 46 E CB 1.105 30.849 29.700 0.073 0.000 1.101 46 E HN 0.073 nan 8.360 nan 0.000 0.393 47 K N 3.151 123.650 120.400 0.164 0.000 2.416 47 K HA 0.032 4.333 4.320 -0.032 0.000 0.283 47 K C 0.391 176.915 176.600 -0.128 0.000 1.037 47 K CA 0.113 56.298 56.287 -0.170 0.000 0.995 47 K CB 0.346 32.692 32.500 -0.256 0.000 0.938 47 K HN 0.547 nan 8.250 nan 0.000 0.475 48 I N 3.383 123.856 120.570 -0.162 0.000 2.333 48 I HA -0.114 4.037 4.170 -0.032 0.000 0.246 48 I C 0.748 176.785 176.117 -0.134 0.000 1.106 48 I CA 0.645 61.880 61.300 -0.108 0.000 1.411 48 I CB 0.000 37.952 38.000 -0.081 0.000 1.082 48 I HN 0.873 nan 8.210 nan 0.000 0.420 49 C N -2.158 117.026 119.300 -0.194 0.000 3.167 49 C HA 0.427 4.868 4.460 -0.032 0.000 0.348 49 C C -1.241 173.602 174.990 -0.244 0.000 1.394 49 C CA -1.187 57.721 59.018 -0.183 0.000 1.204 49 C CB 1.131 28.778 27.740 -0.155 0.000 1.467 49 C HN 0.174 nan 8.230 nan 0.000 0.446 50 E N 0.309 120.380 120.200 -0.215 0.000 2.207 50 E HA 0.718 5.049 4.350 -0.032 0.000 0.270 50 E C -1.121 175.300 176.600 -0.298 0.000 0.927 50 E CA -0.553 55.690 56.400 -0.261 0.000 0.799 50 E CB 2.383 31.987 29.700 -0.160 0.000 1.172 50 E HN 0.558 nan 8.360 nan 0.000 0.404 51 V N 1.852 121.469 119.914 -0.494 0.000 2.769 51 V HA 0.152 4.253 4.120 -0.032 0.000 0.312 51 V C -0.184 175.735 176.094 -0.293 0.000 1.061 51 V CA -0.874 61.147 62.300 -0.466 0.000 0.931 51 V CB 2.108 33.493 31.823 -0.729 0.000 1.010 51 V HN 0.621 nan 8.190 nan 0.000 0.433 52 E N 2.279 122.451 120.200 -0.046 0.000 2.414 52 E HA 0.066 4.397 4.350 -0.032 0.000 0.263 52 E C -0.139 176.632 176.600 0.285 0.000 1.000 52 E CA 0.453 56.919 56.400 0.111 0.000 0.914 52 E CB 0.498 30.279 29.700 0.135 0.000 0.948 52 E HN 0.646 nan 8.360 nan 0.000 0.444 53 E N 2.506 122.906 120.200 0.333 0.000 2.073 53 E HA 0.434 4.765 4.350 -0.032 0.000 0.269 53 E C -1.275 175.457 176.600 0.220 0.000 0.917 53 E CA -0.803 55.837 56.400 0.400 0.000 0.757 53 E CB 0.678 30.630 29.700 0.421 0.000 1.111 53 E HN 0.580 nan 8.360 nan 0.000 0.410 54 A N 4.353 127.280 122.820 0.178 0.000 2.440 54 A HA 0.209 4.510 4.320 -0.032 0.000 0.251 54 A C -0.101 177.537 177.584 0.090 0.000 1.089 54 A CA -0.192 51.915 52.037 0.117 0.000 0.779 54 A CB 0.704 19.760 19.000 0.093 0.000 1.022 54 A HN 0.786 nan 8.150 nan 0.000 0.492 55 D N 0.077 120.524 120.400 0.078 0.000 2.808 55 D HA 0.228 4.849 4.640 -0.032 0.000 0.249 55 D C 1.124 177.458 176.300 0.057 0.000 1.151 55 D CA -0.633 53.404 54.000 0.062 0.000 1.089 55 D CB 0.848 41.681 40.800 0.056 0.000 1.295 55 D HN 0.314 nan 8.370 nan 0.000 0.631 56 K N 0.253 120.683 120.400 0.050 0.000 2.044 56 K HA -0.146 4.155 4.320 -0.032 0.000 0.210 56 K C 1.505 178.143 176.600 0.064 0.000 1.049 56 K CA 1.437 57.757 56.287 0.054 0.000 0.927 56 K CB -0.052 32.470 32.500 0.036 0.000 0.713 56 K HN 0.391 nan 8.250 nan 0.000 0.443 57 E N 0.217 120.450 120.200 0.056 0.000 2.204 57 E HA -0.140 4.191 4.350 -0.032 0.000 0.194 57 E C 1.564 178.202 176.600 0.063 0.000 0.989 57 E CA 0.819 57.254 56.400 0.057 0.000 0.824 57 E CB 0.038 29.768 29.700 0.050 0.000 0.756 57 E HN 0.410 nan 8.360 nan 0.000 0.477 58 D N 0.606 121.045 120.400 0.064 0.000 2.162 58 D HA -0.082 4.539 4.640 -0.032 0.000 0.203 58 D C 2.123 178.444 176.300 0.035 0.000 0.967 58 D CA 0.607 54.642 54.000 0.059 0.000 0.840 58 D CB 0.131 40.974 40.800 0.072 0.000 0.972 58 D HN 0.023 nan 8.370 nan 0.000 0.482 59 V N 1.938 121.879 119.914 0.044 0.000 2.407 59 V HA -0.204 3.897 4.120 -0.032 0.000 0.248 59 V C 1.899 178.009 176.094 0.026 0.000 1.055 59 V CA 1.643 63.960 62.300 0.029 0.000 1.049 59 V CB -0.340 31.519 31.823 0.059 0.000 0.662 59 V HN 0.024 nan 8.190 nan 0.000 0.455 60 D N -0.111 120.343 120.400 0.091 0.000 2.144 60 D HA -0.129 4.492 4.640 -0.032 0.000 0.199 60 D C 2.272 178.604 176.300 0.053 0.000 0.984 60 D CA 1.085 55.168 54.000 0.139 0.000 0.834 60 D CB -0.124 40.760 40.800 0.140 0.000 0.955 60 D HN 0.440 nan 8.370 nan 0.000 0.465 61 K N 0.502 120.917 120.400 0.026 0.000 2.062 61 K HA 0.043 4.344 4.320 -0.032 0.000 0.205 61 K C 2.148 178.711 176.600 -0.061 0.000 1.051 61 K CA 0.854 57.139 56.287 -0.004 0.000 0.941 61 K CB -0.020 32.487 32.500 0.012 0.000 0.719 61 K HN -0.001 nan 8.250 nan 0.000 0.440 62 A N 1.337 124.109 122.820 -0.079 0.000 1.908 62 A HA -0.139 4.162 4.320 -0.032 0.000 0.218 62 A C 2.393 179.905 177.584 -0.121 0.000 1.181 62 A CA 1.543 53.511 52.037 -0.116 0.000 0.627 62 A CB -0.651 18.290 19.000 -0.098 0.000 0.818 62 A HN 0.068 nan 8.150 nan 0.000 0.445 63 V N 0.922 120.754 119.914 -0.137 0.000 2.379 63 V HA -0.244 3.857 4.120 -0.032 0.000 0.245 63 V C 2.560 178.594 176.094 -0.100 0.000 1.044 63 V CA 2.366 64.551 62.300 -0.192 0.000 1.036 63 V CB -0.697 30.850 31.823 -0.460 0.000 0.664 63 V HN 0.853 nan 8.190 nan 0.000 0.453 64 K N 2.278 122.649 120.400 -0.048 0.000 2.147 64 K HA -0.052 4.249 4.320 -0.032 0.000 0.205 64 K C 1.943 178.531 176.600 -0.020 0.000 1.049 64 K CA 1.898 58.180 56.287 -0.010 0.000 0.936 64 K CB -0.807 31.702 32.500 0.015 0.000 0.722 64 K HN 0.312 nan 8.250 nan 0.000 0.446 65 A N 1.267 124.056 122.820 -0.052 0.000 1.930 65 A HA 0.127 4.428 4.320 -0.032 0.000 0.217 65 A C 2.501 180.050 177.584 -0.058 0.000 1.175 65 A CA 1.529 53.525 52.037 -0.069 0.000 0.627 65 A CB -0.942 17.982 19.000 -0.128 0.000 0.815 65 A HN 0.469 nan 8.150 nan 0.000 0.443 66 A N -0.306 122.475 122.820 -0.066 0.000 1.969 66 A HA -0.081 4.220 4.320 -0.032 0.000 0.218 66 A C 2.164 179.771 177.584 0.037 0.000 1.169 66 A CA 1.936 53.946 52.037 -0.045 0.000 0.635 66 A CB -0.358 18.595 19.000 -0.079 0.000 0.810 66 A HN 0.441 nan 8.150 nan 0.000 0.445 67 R N 0.143 120.665 120.500 0.037 0.000 2.090 67 R HA -0.040 4.281 4.340 -0.032 0.000 0.228 67 R C 1.823 178.206 176.300 0.139 0.000 1.110 67 R CA 1.863 58.023 56.100 0.101 0.000 0.973 67 R CB -0.543 29.793 30.300 0.060 0.000 0.869 67 R HN 0.445 nan 8.270 nan 0.000 0.440 68 E N -0.108 120.140 120.200 0.080 0.000 2.106 68 E HA 0.020 4.351 4.350 -0.032 0.000 0.192 68 E C 1.647 178.300 176.600 0.088 0.000 0.984 68 E CA 1.487 57.929 56.400 0.070 0.000 0.806 68 E CB -0.253 29.467 29.700 0.033 0.000 0.750 68 E HN 0.409 nan 8.360 nan 0.000 0.458 69 A N -0.619 122.255 122.820 0.090 0.000 2.067 69 A HA -0.108 4.193 4.320 -0.032 0.000 0.219 69 A C 1.819 179.547 177.584 0.240 0.000 1.158 69 A CA 0.871 52.976 52.037 0.114 0.000 0.661 69 A CB -0.578 18.437 19.000 0.026 0.000 0.801 69 A HN 0.405 nan 8.150 nan 0.000 0.452 70 F N 0.136 120.154 119.950 0.112 0.000 2.765 70 F HA 0.208 4.716 4.527 -0.033 0.000 0.302 70 F C 0.662 176.529 175.800 0.111 0.000 1.111 70 F CA -0.208 57.887 58.000 0.158 0.000 1.359 70 F CB 0.135 39.214 39.000 0.133 0.000 1.097 70 F HN 0.078 nan 8.300 nan 0.000 0.577 71 Q N 1.391 121.209 119.800 0.030 0.000 2.361 71 Q HA 0.041 4.362 4.340 -0.032 0.000 0.276 71 Q C 0.183 176.104 176.000 -0.132 0.000 1.022 71 Q CA 0.377 56.158 55.803 -0.037 0.000 0.898 71 Q CB 0.545 29.295 28.738 0.020 0.000 1.246 71 Q HN 0.323 nan 8.270 nan 0.000 0.410 72 M N 0.726 120.243 119.600 -0.139 0.000 2.251 72 M HA 0.070 4.531 4.480 -0.032 0.000 0.343 72 M C 1.187 177.446 176.300 -0.067 0.000 1.245 72 M CA 1.584 56.809 55.300 -0.126 0.000 1.061 72 M CB 0.194 32.741 32.600 -0.088 0.000 1.723 72 M HN 0.948 nan 8.290 nan 0.000 0.449 73 G N 0.975 109.739 108.800 -0.061 0.000 2.234 73 G HA2 -0.234 3.707 3.960 -0.032 0.000 0.235 73 G HA3 -0.234 3.707 3.960 -0.032 0.000 0.235 73 G C 0.182 175.073 174.900 -0.014 0.000 0.997 73 G CA 0.193 45.275 45.100 -0.031 0.000 0.623 73 G HN 0.894 nan 8.290 nan 0.000 0.514 74 S N 0.925 116.619 115.700 -0.010 0.000 2.592 74 S HA 0.602 5.053 4.470 -0.032 0.000 0.271 74 S C -0.665 173.969 174.600 0.057 0.000 1.326 74 S CA -0.340 57.880 58.200 0.034 0.000 1.024 74 S CB 2.156 65.393 63.200 0.062 0.000 0.921 74 S HN 0.013 nan 8.310 nan 0.000 0.527 75 P HA -0.146 nan 4.420 nan 0.000 0.216 75 P C 1.279 178.677 177.300 0.165 0.000 1.157 75 P CA 1.324 64.487 63.100 0.104 0.000 0.880 75 P CB -0.141 31.629 31.700 0.116 0.000 0.791 76 W N 0.137 121.446 121.300 0.014 0.000 2.374 76 W HA -0.157 4.485 4.660 -0.030 0.000 0.288 76 W C 1.658 178.185 176.519 0.014 0.000 1.218 76 W CA 0.848 58.217 57.345 0.040 0.000 1.245 76 W CB -0.094 29.419 29.460 0.089 0.000 1.126 76 W HN -0.121 nan 8.180 nan 0.000 0.545 77 R N -0.350 120.133 120.500 -0.028 0.000 2.100 77 R HA -0.061 4.260 4.340 -0.032 0.000 0.220 77 R C 2.225 178.433 176.300 -0.154 0.000 1.091 77 R CA 2.046 58.038 56.100 -0.180 0.000 0.986 77 R CB -1.399 28.780 30.300 -0.202 0.000 0.888 77 R HN 0.269 nan 8.270 nan 0.000 0.444 78 T N -1.871 112.629 114.554 -0.090 0.000 3.067 78 T HA 0.118 4.449 4.350 -0.032 0.000 0.257 78 T C 1.262 175.916 174.700 -0.076 0.000 1.105 78 T CA -0.107 61.951 62.100 -0.071 0.000 1.104 78 T CB 0.097 68.942 68.868 -0.038 0.000 0.925 78 T HN 0.019 nan 8.240 nan 0.000 0.498 79 M N 2.788 122.334 119.600 -0.090 0.000 2.250 79 M HA 0.080 4.541 4.480 -0.032 0.000 0.337 79 M C -0.745 175.480 176.300 -0.126 0.000 1.161 79 M CA 0.035 55.278 55.300 -0.096 0.000 1.088 79 M CB 0.304 32.839 32.600 -0.108 0.000 1.639 79 M HN 0.067 nan 8.290 nan 0.000 0.447 80 D N 3.372 123.717 120.400 -0.093 0.000 2.378 80 D HA 0.092 4.713 4.640 -0.032 0.000 0.238 80 D C 0.707 176.941 176.300 -0.110 0.000 1.180 80 D CA 0.496 54.444 54.000 -0.086 0.000 0.895 80 D CB 0.872 41.636 40.800 -0.061 0.000 1.192 80 D HN 0.745 nan 8.370 nan 0.000 0.438 81 A N 1.152 123.919 122.820 -0.089 0.000 1.968 81 A HA -0.144 4.157 4.320 -0.032 0.000 0.217 81 A C 2.055 179.604 177.584 -0.059 0.000 1.169 81 A CA 1.683 53.669 52.037 -0.084 0.000 0.638 81 A CB -0.556 18.419 19.000 -0.041 0.000 0.812 81 A HN 0.547 nan 8.150 nan 0.000 0.446 82 S N 0.186 115.858 115.700 -0.048 0.000 2.399 82 S HA -0.191 4.260 4.470 -0.032 0.000 0.231 82 S C 1.583 176.154 174.600 -0.047 0.000 1.022 82 S CA 1.386 59.561 58.200 -0.041 0.000 0.983 82 S CB -0.440 62.734 63.200 -0.044 0.000 0.803 82 S HN 0.691 nan 8.310 nan 0.000 0.480 83 E N 1.321 121.484 120.200 -0.061 0.000 2.107 83 E HA -0.039 4.292 4.350 -0.032 0.000 0.191 83 E C 2.496 179.057 176.600 -0.065 0.000 0.982 83 E CA 0.643 57.006 56.400 -0.062 0.000 0.809 83 E CB -0.136 29.525 29.700 -0.065 0.000 0.756 83 E HN 0.533 nan 8.360 nan 0.000 0.459 84 R N 0.354 120.794 120.500 -0.101 0.000 2.080 84 R HA -0.138 4.183 4.340 -0.032 0.000 0.236 84 R C 2.564 178.889 176.300 0.041 0.000 1.137 84 R CA 1.337 57.392 56.100 -0.074 0.000 0.943 84 R CB -0.779 29.388 30.300 -0.221 0.000 0.846 84 R HN 0.212 nan 8.270 nan 0.000 0.431 85 G N 0.908 109.726 108.800 0.030 0.000 2.513 85 G HA2 -0.349 3.591 3.960 -0.032 0.000 0.219 85 G HA3 -0.349 3.591 3.960 -0.032 0.000 0.219 85 G C 1.331 176.284 174.900 0.088 0.000 1.160 85 G CA 0.827 45.971 45.100 0.072 0.000 0.767 85 G HN 0.377 nan 8.290 nan 0.000 0.571 86 Q N -0.479 119.335 119.800 0.023 0.000 2.061 86 Q HA -0.029 4.292 4.340 -0.032 0.000 0.204 86 Q C 2.751 178.765 176.000 0.024 0.000 0.984 86 Q CA 1.163 56.973 55.803 0.011 0.000 0.846 86 Q CB -0.247 28.469 28.738 -0.036 0.000 0.902 86 Q HN 0.503 nan 8.270 nan 0.000 0.421 87 L N -0.013 121.172 121.223 -0.064 0.000 2.083 87 L HA -0.214 4.107 4.340 -0.032 0.000 0.209 87 L C 2.218 179.055 176.870 -0.056 0.000 1.083 87 L CA 0.940 55.634 54.840 -0.243 0.000 0.752 87 L CB -0.299 41.357 42.059 -0.672 0.000 0.899 87 L HN 0.292 nan 8.230 nan 0.000 0.433 88 I N -1.987 118.677 120.570 0.157 0.000 2.286 88 I HA -0.292 3.859 4.170 -0.032 0.000 0.245 88 I C 2.369 178.613 176.117 0.211 0.000 1.104 88 I CA 1.042 62.535 61.300 0.320 0.000 1.397 88 I CB -0.260 37.916 38.000 0.294 0.000 1.072 88 I HN 0.114 nan 8.210 nan 0.000 0.417 89 Y N 1.708 122.053 120.300 0.075 0.000 2.274 89 Y HA -0.283 4.255 4.550 -0.019 0.000 0.290 89 Y C 2.519 178.446 175.900 0.046 0.000 1.145 89 Y CA 1.701 59.829 58.100 0.046 0.000 1.203 89 Y CB -0.106 38.364 38.460 0.016 0.000 0.984 89 Y HN 0.033 nan 8.280 nan 0.000 0.533 90 K N -0.372 120.164 120.400 0.227 0.000 2.155 90 K HA -0.145 4.156 4.320 -0.032 0.000 0.203 90 K C 1.927 178.610 176.600 0.139 0.000 1.052 90 K CA 1.173 57.553 56.287 0.156 0.000 0.948 90 K CB -0.429 32.123 32.500 0.087 0.000 0.728 90 K HN 0.302 nan 8.250 nan 0.000 0.448 91 L N 0.696 122.024 121.223 0.176 0.000 2.093 91 L HA 0.022 4.343 4.340 -0.032 0.000 0.208 91 L C 2.110 179.023 176.870 0.072 0.000 1.085 91 L CA 2.026 56.965 54.840 0.165 0.000 0.755 91 L CB -0.839 41.367 42.059 0.245 0.000 0.904 91 L HN 0.230 nan 8.230 nan 0.000 0.435 92 A N -0.818 122.014 122.820 0.019 0.000 1.933 92 A HA -0.213 4.088 4.320 -0.032 0.000 0.218 92 A C 1.980 179.546 177.584 -0.031 0.000 1.175 92 A CA 1.850 53.848 52.037 -0.065 0.000 0.628 92 A CB -0.789 18.073 19.000 -0.232 0.000 0.814 92 A HN 0.526 nan 8.150 nan 0.000 0.444 93 D N 0.013 120.427 120.400 0.024 0.000 2.144 93 D HA -0.090 4.531 4.640 -0.032 0.000 0.199 93 D C 1.908 178.244 176.300 0.060 0.000 0.984 93 D CA 1.007 55.043 54.000 0.061 0.000 0.834 93 D CB -0.244 40.624 40.800 0.113 0.000 0.955 93 D HN 0.490 nan 8.370 nan 0.000 0.465 94 L N 0.193 121.457 121.223 0.068 0.000 2.131 94 L HA -0.005 4.316 4.340 -0.032 0.000 0.206 94 L C 2.478 179.394 176.870 0.077 0.000 1.087 94 L CA 0.428 55.313 54.840 0.076 0.000 0.767 94 L CB -0.195 41.911 42.059 0.078 0.000 0.917 94 L HN -0.024 nan 8.230 nan 0.000 0.441 95 I N 0.030 120.636 120.570 0.059 0.000 2.226 95 I HA -0.298 3.853 4.170 -0.032 0.000 0.245 95 I C 2.616 178.751 176.117 0.031 0.000 1.100 95 I CA 1.420 62.751 61.300 0.052 0.000 1.374 95 I CB -0.244 37.770 38.000 0.023 0.000 1.057 95 I HN 0.351 nan 8.210 nan 0.000 0.413 96 E N 1.128 121.336 120.200 0.013 0.000 2.077 96 E HA -0.274 4.057 4.350 -0.032 0.000 0.193 96 E C 2.401 179.023 176.600 0.036 0.000 0.989 96 E CA 1.065 57.465 56.400 0.001 0.000 0.800 96 E CB -0.004 29.695 29.700 -0.002 0.000 0.746 96 E HN 0.275 nan 8.360 nan 0.000 0.452 97 R N 0.345 120.880 120.500 0.059 0.000 2.081 97 R HA -0.139 4.182 4.340 -0.032 0.000 0.235 97 R C 0.485 176.842 176.300 0.095 0.000 1.131 97 R CA 1.788 57.934 56.100 0.077 0.000 0.960 97 R CB 0.041 30.389 30.300 0.080 0.000 0.856 97 R HN 0.084 nan 8.270 nan 0.000 0.436 98 D N -0.288 120.176 120.400 0.107 0.000 2.460 98 D HA 0.027 4.648 4.640 -0.032 0.000 0.229 98 D C 1.104 177.465 176.300 0.101 0.000 1.170 98 D CA 0.013 54.089 54.000 0.125 0.000 0.827 98 D CB 0.183 41.104 40.800 0.202 0.000 0.973 98 D HN 0.205 nan 8.370 nan 0.000 0.496 99 R N 0.351 120.907 120.500 0.093 0.000 2.083 99 R HA -0.151 4.170 4.340 -0.032 0.000 0.237 99 R C 1.855 178.277 176.300 0.203 0.000 1.137 99 R CA 0.983 57.119 56.100 0.060 0.000 0.951 99 R CB -0.180 30.091 30.300 -0.047 0.000 0.851 99 R HN 0.160 nan 8.270 nan 0.000 0.434 100 L N 1.200 122.621 121.223 0.331 0.000 2.083 100 L HA -0.120 4.201 4.340 -0.032 0.000 0.209 100 L C 2.105 179.121 176.870 0.242 0.000 1.083 100 L CA 1.496 56.570 54.840 0.390 0.000 0.752 100 L CB -0.558 41.661 42.059 0.267 0.000 0.899 100 L HN 0.335 nan 8.230 nan 0.000 0.433 101 L N -1.333 119.964 121.223 0.123 0.000 1.994 101 L HA -0.211 4.110 4.340 -0.032 0.000 0.208 101 L C 2.367 179.234 176.870 -0.005 0.000 1.071 101 L CA 1.650 56.502 54.840 0.019 0.000 0.745 101 L CB -0.241 41.780 42.059 -0.062 0.000 0.892 101 L HN 0.277 nan 8.230 nan 0.000 0.431 102 L N -0.280 120.939 121.223 -0.007 0.000 2.141 102 L HA -0.144 4.177 4.340 -0.032 0.000 0.209 102 L C 2.737 179.654 176.870 0.079 0.000 1.094 102 L CA 0.980 55.819 54.840 -0.003 0.000 0.763 102 L CB -0.701 41.370 42.059 0.020 0.000 0.908 102 L HN 0.377 nan 8.230 nan 0.000 0.437 103 A N -0.590 122.324 122.820 0.156 0.000 1.897 103 A HA -0.156 4.145 4.320 -0.032 0.000 0.215 103 A C 2.366 180.152 177.584 0.336 0.000 1.181 103 A CA 2.038 54.203 52.037 0.214 0.000 0.620 103 A CB -0.814 18.344 19.000 0.264 0.000 0.821 103 A HN 0.346 nan 8.150 nan 0.000 0.443 104 T N 0.217 114.994 114.554 0.371 0.000 2.684 104 T HA -0.149 4.182 4.350 -0.032 0.000 0.267 104 T C 1.790 176.577 174.700 0.146 0.000 1.036 104 T CA 1.620 63.872 62.100 0.252 0.000 1.148 104 T CB -0.329 68.589 68.868 0.083 0.000 0.863 104 T HN 0.245 nan 8.240 nan 0.000 0.436 105 L N 1.075 122.353 121.223 0.093 0.000 2.141 105 L HA 0.075 4.396 4.340 -0.032 0.000 0.209 105 L C 2.362 179.283 176.870 0.084 0.000 1.094 105 L CA 1.671 56.544 54.840 0.055 0.000 0.763 105 L CB -0.667 41.394 42.059 0.004 0.000 0.908 105 L HN 0.159 nan 8.230 nan 0.000 0.437 106 E N -1.259 119.005 120.200 0.107 0.000 2.047 106 E HA -0.189 4.142 4.350 -0.032 0.000 0.191 106 E C 2.387 179.067 176.600 0.132 0.000 0.987 106 E CA 1.437 57.906 56.400 0.115 0.000 0.799 106 E CB -0.290 29.472 29.700 0.104 0.000 0.752 106 E HN 0.424 nan 8.360 nan 0.000 0.449 107 S N -0.497 115.300 115.700 0.162 0.000 2.359 107 S HA -0.184 4.267 4.470 -0.032 0.000 0.222 107 S C 1.958 176.636 174.600 0.131 0.000 1.038 107 S CA 1.594 59.899 58.200 0.175 0.000 1.051 107 S CB -0.439 62.918 63.200 0.261 0.000 0.944 107 S HN 0.361 nan 8.310 nan 0.000 0.433 108 I N 1.267 121.901 120.570 0.107 0.000 2.163 108 I HA -0.214 3.937 4.170 -0.032 0.000 0.243 108 I C 2.489 178.653 176.117 0.077 0.000 1.085 108 I CA 1.622 62.966 61.300 0.074 0.000 1.347 108 I CB -0.406 37.622 38.000 0.047 0.000 1.044 108 I HN 0.480 nan 8.210 nan 0.000 0.408 109 N N 0.201 118.953 118.700 0.087 0.000 2.173 109 N HA -0.082 4.639 4.740 -0.032 0.000 0.184 109 N C 1.649 177.231 175.510 0.120 0.000 1.025 109 N CA 1.029 54.137 53.050 0.096 0.000 0.852 109 N CB 0.058 38.604 38.487 0.099 0.000 0.998 109 N HN 0.277 nan 8.380 nan 0.000 0.427 110 A N -0.417 122.487 122.820 0.141 0.000 2.267 110 A HA 0.365 4.666 4.320 -0.032 0.000 0.213 110 A C 1.303 178.979 177.584 0.153 0.000 1.192 110 A CA 0.655 52.800 52.037 0.180 0.000 0.851 110 A CB -0.056 19.076 19.000 0.220 0.000 0.881 110 A HN 0.432 nan 8.150 nan 0.000 0.494 111 G N -0.132 108.737 108.800 0.114 0.000 2.148 111 G HA2 -0.279 3.662 3.960 -0.032 0.000 0.254 111 G HA3 -0.279 3.662 3.960 -0.032 0.000 0.254 111 G C 0.167 175.134 174.900 0.112 0.000 0.981 111 G CA 0.562 45.715 45.100 0.088 0.000 0.670 111 G HN 0.565 nan 8.290 nan 0.000 0.528 112 K N 0.315 120.794 120.400 0.132 0.000 2.350 112 K HA 0.420 4.721 4.320 -0.032 0.000 0.279 112 K C 1.074 177.765 176.600 0.151 0.000 1.027 112 K CA -0.561 55.805 56.287 0.131 0.000 0.969 112 K CB 1.365 33.935 32.500 0.118 0.000 0.954 112 K HN 0.059 nan 8.250 nan 0.000 0.474 113 V N 4.956 124.963 119.914 0.155 0.000 2.720 113 V HA -0.160 3.941 4.120 -0.032 0.000 0.307 113 V C 1.294 177.498 176.094 0.183 0.000 1.071 113 V CA 0.495 62.902 62.300 0.179 0.000 1.199 113 V CB -0.108 31.821 31.823 0.178 0.000 0.900 113 V HN 0.737 nan 8.190 nan 0.000 0.494 114 F N 4.963 124.962 119.950 0.082 0.000 2.134 114 F HA -0.120 4.389 4.527 -0.031 0.000 0.299 114 F C 2.068 177.929 175.800 0.101 0.000 1.097 114 F CA 1.914 59.961 58.000 0.078 0.000 1.264 114 F CB -0.219 38.807 39.000 0.043 0.000 1.001 114 F HN 0.537 nan 8.300 nan 0.000 0.479 115 A N -0.569 122.215 122.820 -0.060 0.000 1.969 115 A HA -0.110 4.191 4.320 -0.032 0.000 0.218 115 A C 2.308 179.842 177.584 -0.084 0.000 1.169 115 A CA 1.763 53.720 52.037 -0.134 0.000 0.635 115 A CB -1.095 17.926 19.000 0.035 0.000 0.810 115 A HN 0.445 nan 8.150 nan 0.000 0.445 116 S N 0.059 115.748 115.700 -0.020 0.000 2.368 116 S HA 0.014 4.465 4.470 -0.032 0.000 0.224 116 S C 2.313 176.891 174.600 -0.038 0.000 1.029 116 S CA 1.055 59.255 58.200 -0.001 0.000 0.988 116 S CB -0.430 62.797 63.200 0.043 0.000 0.838 116 S HN 0.782 nan 8.310 nan 0.000 0.462 117 A N 0.589 123.372 122.820 -0.062 0.000 1.877 117 A HA -0.096 4.205 4.320 -0.032 0.000 0.216 117 A C 1.979 179.502 177.584 -0.102 0.000 1.186 117 A CA 1.453 53.458 52.037 -0.054 0.000 0.620 117 A CB -0.957 18.041 19.000 -0.003 0.000 0.822 117 A HN 0.536 nan 8.150 nan 0.000 0.443 118 Y N 0.130 120.196 120.300 -0.390 0.000 2.133 118 Y HA -0.105 4.427 4.550 -0.031 0.000 0.287 118 Y C 2.032 177.826 175.900 -0.176 0.000 1.134 118 Y CA 2.033 59.924 58.100 -0.348 0.000 1.133 118 Y CB -0.147 37.940 38.460 -0.622 0.000 0.987 118 Y HN 0.196 nan 8.280 nan 0.000 0.502 119 L N -1.255 119.948 121.223 -0.033 0.000 2.162 119 L HA -0.134 4.187 4.340 -0.032 0.000 0.205 119 L C 1.921 178.767 176.870 -0.041 0.000 1.086 119 L CA 0.491 55.320 54.840 -0.017 0.000 0.778 119 L CB -0.212 41.873 42.059 0.045 0.000 0.928 119 L HN 0.292 nan 8.230 nan 0.000 0.446 120 M N -1.174 118.405 119.600 -0.034 0.000 2.751 120 M HA 0.053 4.514 4.480 -0.032 0.000 0.252 120 M C 1.647 177.943 176.300 -0.007 0.000 1.264 120 M CA 1.148 56.440 55.300 -0.015 0.000 1.237 120 M CB -1.068 31.520 32.600 -0.020 0.000 1.242 120 M HN 0.003 nan 8.290 nan 0.000 0.525 121 D N 1.147 121.531 120.400 -0.027 0.000 2.103 121 D HA -0.048 4.573 4.640 -0.032 0.000 0.199 121 D C 2.188 178.489 176.300 0.001 0.000 0.978 121 D CA 0.848 54.843 54.000 -0.009 0.000 0.829 121 D CB 0.022 40.816 40.800 -0.011 0.000 0.981 121 D HN 0.042 nan 8.370 nan 0.000 0.464 122 L N 0.731 121.916 121.223 -0.063 0.000 2.056 122 L HA -0.136 4.185 4.340 -0.032 0.000 0.207 122 L C 1.939 178.754 176.870 -0.091 0.000 1.078 122 L CA 1.586 56.369 54.840 -0.096 0.000 0.749 122 L CB -0.906 41.036 42.059 -0.196 0.000 0.901 122 L HN 0.066 nan 8.230 nan 0.000 0.433 123 D N -0.958 119.379 120.400 -0.105 0.000 2.133 123 D HA -0.305 4.316 4.640 -0.032 0.000 0.195 123 D C 2.162 178.460 176.300 -0.003 0.000 0.997 123 D CA 1.445 55.404 54.000 -0.068 0.000 0.840 123 D CB -0.091 40.677 40.800 -0.053 0.000 0.947 123 D HN 0.302 nan 8.370 nan 0.000 0.452 124 Y N -0.177 120.075 120.300 -0.079 0.000 2.314 124 Y HA -0.107 4.426 4.550 -0.029 0.000 0.293 124 Y C 2.354 178.217 175.900 -0.062 0.000 1.129 124 Y CA 1.192 59.254 58.100 -0.063 0.000 1.201 124 Y CB -0.427 38.001 38.460 -0.054 0.000 0.999 124 Y HN 0.242 nan 8.280 nan 0.000 0.541 125 C N 0.100 119.445 119.300 0.076 0.000 2.429 125 C HA -0.169 4.272 4.460 -0.032 0.000 0.277 125 C C 2.553 177.499 174.990 -0.073 0.000 1.262 125 C CA 1.500 60.519 59.018 0.001 0.000 1.733 125 C CB -1.418 26.326 27.740 0.008 0.000 2.010 125 C HN 0.618 nan 8.230 nan 0.000 0.483 126 I N 0.576 121.094 120.570 -0.086 0.000 2.353 126 I HA -0.125 4.026 4.170 -0.032 0.000 0.248 126 I C 2.625 178.649 176.117 -0.155 0.000 1.119 126 I CA 1.485 62.716 61.300 -0.115 0.000 1.417 126 I CB -0.388 37.548 38.000 -0.107 0.000 1.078 126 I HN 0.305 nan 8.210 nan 0.000 0.421 127 K N 0.689 120.988 120.400 -0.168 0.000 2.155 127 K HA -0.029 4.272 4.320 -0.032 0.000 0.203 127 K C 2.257 178.744 176.600 -0.189 0.000 1.052 127 K CA 1.210 57.386 56.287 -0.184 0.000 0.948 127 K CB -0.167 32.208 32.500 -0.209 0.000 0.728 127 K HN 0.292 nan 8.250 nan 0.000 0.448 128 A N 1.304 123.973 122.820 -0.251 0.000 1.873 128 A HA -0.111 4.190 4.320 -0.032 0.000 0.215 128 A C 2.079 179.644 177.584 -0.032 0.000 1.186 128 A CA 1.121 53.052 52.037 -0.177 0.000 0.616 128 A CB -0.617 18.250 19.000 -0.220 0.000 0.823 128 A HN 0.134 nan 8.150 nan 0.000 0.442 129 L N -0.986 120.196 121.223 -0.069 0.000 2.012 129 L HA -0.231 4.090 4.340 -0.032 0.000 0.210 129 L C 2.889 179.717 176.870 -0.070 0.000 1.073 129 L CA 1.740 56.552 54.840 -0.047 0.000 0.748 129 L CB -0.488 41.531 42.059 -0.066 0.000 0.891 129 L HN 0.350 nan 8.230 nan 0.000 0.431 130 R N -1.367 119.023 120.500 -0.184 0.000 2.096 130 R HA -0.216 4.105 4.340 -0.032 0.000 0.235 130 R C 2.287 178.581 176.300 -0.009 0.000 1.127 130 R CA 1.634 57.564 56.100 -0.283 0.000 0.968 130 R CB -0.521 29.505 30.300 -0.457 0.000 0.861 130 R HN 0.278 nan 8.270 nan 0.000 0.440 131 Y N 0.775 121.031 120.300 -0.074 0.000 2.097 131 Y HA -0.333 4.200 4.550 -0.028 0.000 0.282 131 Y C 2.324 178.257 175.900 0.056 0.000 1.152 131 Y CA 1.391 59.480 58.100 -0.019 0.000 1.136 131 Y CB -0.513 37.936 38.460 -0.018 0.000 0.975 131 Y HN 0.027 nan 8.280 nan 0.000 0.498 132 C N 0.363 119.735 119.300 0.119 0.000 2.429 132 C HA -0.114 4.327 4.460 -0.032 0.000 0.277 132 C C 3.060 178.101 174.990 0.084 0.000 1.262 132 C CA 1.040 60.128 59.018 0.117 0.000 1.733 132 C CB -1.831 25.990 27.740 0.136 0.000 2.010 132 C HN 0.745 nan 8.230 nan 0.000 0.483 133 A N 0.912 123.782 122.820 0.083 0.000 1.948 133 A HA -0.056 4.245 4.320 -0.032 0.000 0.220 133 A C 2.384 180.013 177.584 0.075 0.000 1.177 133 A CA 2.225 54.337 52.037 0.126 0.000 0.636 133 A CB -1.211 17.922 19.000 0.222 0.000 0.815 133 A HN 0.582 nan 8.150 nan 0.000 0.449 134 G N -2.547 106.241 108.800 -0.019 0.000 2.443 134 G HA2 -0.203 3.738 3.960 -0.032 0.000 0.219 134 G HA3 -0.203 3.738 3.960 -0.032 0.000 0.219 134 G C 1.301 176.069 174.900 -0.220 0.000 1.131 134 G CA 0.669 45.678 45.100 -0.152 0.000 0.775 134 G HN 0.691 nan 8.290 nan 0.000 0.547 135 W N 0.636 121.831 121.300 -0.174 0.000 2.800 135 W HA 0.319 4.969 4.660 -0.017 0.000 0.249 135 W C 2.675 179.158 176.519 -0.061 0.000 1.294 135 W CA 0.121 57.377 57.345 -0.148 0.000 1.402 135 W CB 0.378 29.710 29.460 -0.213 0.000 1.126 135 W HN 0.251 nan 8.180 nan 0.000 0.652 136 A N 0.923 123.842 122.820 0.164 0.000 1.908 136 A HA -0.254 4.047 4.320 -0.032 0.000 0.218 136 A C 1.513 179.155 177.584 0.097 0.000 1.181 136 A CA 2.201 54.307 52.037 0.115 0.000 0.627 136 A CB -0.716 18.321 19.000 0.062 0.000 0.818 136 A HN 0.350 nan 8.150 nan 0.000 0.445 137 D N -1.806 118.640 120.400 0.076 0.000 2.402 137 D HA 0.143 4.764 4.640 -0.032 0.000 0.216 137 D C 0.685 177.039 176.300 0.091 0.000 1.128 137 D CA 0.180 54.213 54.000 0.055 0.000 0.833 137 D CB 0.035 40.840 40.800 0.008 0.000 0.971 137 D HN 0.401 nan 8.370 nan 0.000 0.503 138 K N -0.064 120.446 120.400 0.183 0.000 2.413 138 K HA 0.329 4.630 4.320 -0.032 0.000 0.204 138 K C 0.103 176.981 176.600 0.462 0.000 1.041 138 K CA -0.314 56.136 56.287 0.271 0.000 1.082 138 K CB 1.098 33.696 32.500 0.163 0.000 0.871 138 K HN 0.061 nan 8.250 nan 0.000 0.535 139 I N 2.573 123.369 120.570 0.376 0.000 2.436 139 I HA -0.004 4.147 4.170 -0.032 0.000 0.289 139 I C -0.220 176.015 176.117 0.196 0.000 1.083 139 I CA 0.412 61.921 61.300 0.349 0.000 1.372 139 I CB 0.503 38.683 38.000 0.301 0.000 1.408 139 I HN 0.054 nan 8.210 nan 0.000 0.516 140 Q N 4.336 124.210 119.800 0.123 0.000 2.347 140 Q HA 0.532 4.853 4.340 -0.032 0.000 0.271 140 Q C 0.188 176.024 176.000 -0.272 0.000 1.064 140 Q CA -0.737 55.055 55.803 -0.019 0.000 0.800 140 Q CB 2.457 31.217 28.738 0.037 0.000 1.304 140 Q HN 0.758 nan 8.270 nan 0.000 0.438 141 G N 1.265 109.870 108.800 -0.325 0.000 2.531 141 G HA2 0.499 4.440 3.960 -0.032 0.000 0.253 141 G HA3 0.499 4.440 3.960 -0.032 0.000 0.253 141 G C -0.352 174.423 174.900 -0.208 0.000 1.439 141 G CA -0.253 44.570 45.100 -0.460 0.000 1.056 141 G HN 0.306 nan 8.290 nan 0.000 0.555 142 R N -1.202 119.225 120.500 -0.122 0.000 2.867 142 R HA 0.563 4.884 4.340 -0.032 0.000 0.268 142 R C -0.702 175.623 176.300 0.041 0.000 1.014 142 R CA -0.583 55.497 56.100 -0.032 0.000 0.946 142 R CB 1.268 31.549 30.300 -0.031 0.000 1.208 142 R HN 0.731 nan 8.270 nan 0.000 0.477 143 T N -1.369 113.232 114.554 0.077 0.000 2.807 143 T HA 0.736 5.067 4.350 -0.032 0.000 0.279 143 T C 0.232 175.003 174.700 0.119 0.000 0.993 143 T CA -0.657 61.534 62.100 0.152 0.000 0.970 143 T CB 0.780 69.794 68.868 0.243 0.000 0.950 143 T HN 0.375 nan 8.240 nan 0.000 0.441 144 I N 4.543 125.182 120.570 0.114 0.000 2.466 144 I HA 0.361 4.512 4.170 -0.032 0.000 0.289 144 I C -2.140 174.038 176.117 0.101 0.000 1.026 144 I CA -2.633 58.711 61.300 0.074 0.000 1.078 144 I CB 2.887 40.901 38.000 0.023 0.000 1.249 144 I HN 0.489 nan 8.210 nan 0.000 0.429 145 P HA 0.081 nan 4.420 nan 0.000 0.230 145 P C -0.051 177.302 177.300 0.088 0.000 1.791 145 P CA -0.112 63.048 63.100 0.100 0.000 1.020 145 P CB -0.197 31.549 31.700 0.076 0.000 1.977 146 V N -0.568 119.405 119.914 0.099 0.000 3.096 146 V HA 0.203 4.304 4.120 -0.032 0.000 0.306 146 V C 0.320 176.492 176.094 0.129 0.000 1.088 146 V CA -0.407 61.944 62.300 0.085 0.000 1.129 146 V CB 0.069 31.922 31.823 0.051 0.000 1.014 146 V HN 0.083 nan 8.190 nan 0.000 0.486 147 D N 2.003 122.469 120.400 0.110 0.000 2.449 147 D HA 0.493 5.114 4.640 -0.032 0.000 0.236 147 D C 0.652 177.115 176.300 0.272 0.000 1.149 147 D CA 2.074 56.156 54.000 0.137 0.000 0.878 147 D CB 0.575 41.434 40.800 0.097 0.000 1.198 147 D HN 1.543 nan 8.370 nan 0.000 0.446 148 G N 1.441 110.371 108.800 0.218 0.000 2.707 148 G HA2 -0.175 3.766 3.960 -0.032 0.000 0.686 148 G HA3 -0.175 3.766 3.960 -0.032 0.000 0.686 148 G C -0.621 174.248 174.900 -0.052 0.000 1.315 148 G CA -0.870 44.339 45.100 0.181 0.000 0.832 148 G HN 0.500 nan 8.290 nan 0.000 0.573 149 E N 0.367 120.299 120.200 -0.447 0.000 1.842 149 E HA 0.434 4.765 4.350 -0.032 0.000 0.278 149 E C -0.505 175.673 176.600 -0.703 0.000 1.171 149 E CA 0.383 56.520 56.400 -0.438 0.000 1.127 149 E CB -0.070 29.424 29.700 -0.342 0.000 1.100 149 E HN 0.327 nan 8.360 nan 0.000 0.456 150 F N 0.879 120.873 119.950 0.073 0.000 2.601 150 F HA 0.364 4.872 4.527 -0.032 0.000 0.309 150 F C -0.482 175.431 175.800 0.190 0.000 1.089 150 F CA -1.275 56.785 58.000 0.100 0.000 0.940 150 F CB 1.483 40.514 39.000 0.052 0.000 1.273 150 F HN 0.148 nan 8.300 nan 0.000 0.450 151 F N 2.113 122.206 119.950 0.238 0.000 2.404 151 F HA 0.651 5.158 4.527 -0.033 0.000 0.354 151 F C -0.334 175.590 175.800 0.206 0.000 1.122 151 F CA -0.237 57.877 58.000 0.190 0.000 1.080 151 F CB 0.919 40.013 39.000 0.157 0.000 1.131 151 F HN 0.394 nan 8.300 nan 0.000 0.471 152 S N 5.965 121.622 115.700 -0.072 0.000 2.521 152 S HA 0.674 5.125 4.470 -0.032 0.000 0.295 152 S C -1.485 172.985 174.600 -0.216 0.000 1.098 152 S CA -0.395 57.666 58.200 -0.232 0.000 0.999 152 S CB 1.067 64.206 63.200 -0.102 0.000 1.034 152 S HN 0.730 nan 8.310 nan 0.000 0.483 153 Y N 0.023 120.091 120.300 -0.386 0.000 2.625 153 Y HA 0.791 5.323 4.550 -0.030 0.000 0.338 153 Y C -0.436 175.352 175.900 -0.187 0.000 1.123 153 Y CA -1.070 56.864 58.100 -0.276 0.000 1.046 153 Y CB 0.807 39.058 38.460 -0.348 0.000 1.299 153 Y HN 0.547 nan 8.280 nan 0.000 0.464 154 T N -0.294 114.265 114.554 0.008 0.000 2.932 154 T HA 0.792 5.123 4.350 -0.032 0.000 0.289 154 T C -0.835 173.873 174.700 0.013 0.000 1.039 154 T CA -1.134 60.933 62.100 -0.056 0.000 1.024 154 T CB 2.001 70.820 68.868 -0.081 0.000 1.090 154 T HN 0.805 nan 8.240 nan 0.000 0.496 155 R N 0.281 120.786 120.500 0.008 0.000 2.561 155 R HA 0.348 4.669 4.340 -0.032 0.000 0.297 155 R C -0.764 175.597 176.300 0.102 0.000 0.969 155 R CA -0.682 55.441 56.100 0.039 0.000 0.879 155 R CB 1.464 31.815 30.300 0.085 0.000 1.178 155 R HN 0.760 nan 8.270 nan 0.000 0.445 156 H N 1.999 121.072 119.070 0.005 0.000 2.914 156 H HA 0.111 4.648 4.556 -0.032 0.000 0.264 156 H C -0.349 175.000 175.328 0.034 0.000 1.433 156 H CA -0.378 55.666 56.048 -0.006 0.000 1.342 156 H CB 0.720 30.457 29.762 -0.042 0.000 1.582 156 H HN 0.349 nan 8.280 nan 0.000 0.525 157 E N 4.205 124.499 120.200 0.157 0.000 2.349 157 E HA 0.132 4.463 4.350 -0.032 0.000 0.262 157 E C -2.175 174.514 176.600 0.147 0.000 1.088 157 E CA -2.091 54.391 56.400 0.137 0.000 0.899 157 E CB 0.699 30.473 29.700 0.124 0.000 1.044 157 E HN 0.413 nan 8.360 nan 0.000 0.420 158 P HA 0.005 nan 4.420 nan 0.000 0.271 158 P C 0.311 177.709 177.300 0.164 0.000 1.218 158 P CA 0.267 63.497 63.100 0.216 0.000 0.780 158 P CB 0.872 32.787 31.700 0.359 0.000 0.901 159 I N 0.602 121.209 120.570 0.062 0.000 2.133 159 I HA -0.036 4.115 4.170 -0.032 0.000 0.238 159 I C 1.704 177.700 176.117 -0.202 0.000 1.074 159 I CA 2.306 63.591 61.300 -0.025 0.000 1.342 159 I CB -0.618 37.364 38.000 -0.029 0.000 1.053 159 I HN 0.662 nan 8.210 nan 0.000 0.404 160 G N -0.635 107.893 108.800 -0.454 0.000 2.451 160 G HA2 -0.019 3.922 3.960 -0.032 0.000 0.083 160 G HA3 -0.019 3.922 3.960 -0.032 0.000 0.083 160 G C -1.092 173.431 174.900 -0.628 0.000 1.107 160 G CA -0.473 43.991 45.100 -1.059 0.000 1.117 160 G HN -0.133 nan 8.290 nan 0.000 0.454 161 V N 1.088 120.771 119.914 -0.385 0.000 2.427 161 V HA 0.426 4.527 4.120 -0.032 0.000 0.268 161 V C 0.076 176.110 176.094 -0.102 0.000 1.046 161 V CA -0.193 61.993 62.300 -0.190 0.000 0.970 161 V CB 0.380 32.118 31.823 -0.142 0.000 1.001 161 V HN 0.742 nan 8.190 nan 0.000 0.476 162 C N 4.817 124.092 119.300 -0.041 0.000 2.298 162 C HA 0.693 5.134 4.460 -0.032 0.000 0.323 162 C C 0.983 175.997 174.990 0.040 0.000 1.284 162 C CA -0.987 58.053 59.018 0.036 0.000 1.577 162 C CB 0.507 28.336 27.740 0.149 0.000 2.249 162 C HN 1.012 nan 8.230 nan 0.000 0.497 163 G N 3.383 112.208 108.800 0.042 0.000 2.370 163 G HA2 0.579 4.520 3.960 -0.032 0.000 0.272 163 G HA3 0.579 4.520 3.960 -0.032 0.000 0.272 163 G C -0.826 174.135 174.900 0.103 0.000 1.208 163 G CA -0.246 44.882 45.100 0.047 0.000 0.856 163 G HN 0.739 nan 8.290 nan 0.000 0.500 164 L N 3.253 124.539 121.223 0.105 0.000 2.372 164 L HA 0.493 4.814 4.340 -0.032 0.000 0.273 164 L C -0.532 176.391 176.870 0.089 0.000 0.989 164 L CA -0.463 54.487 54.840 0.184 0.000 0.841 164 L CB 1.654 43.865 42.059 0.253 0.000 1.225 164 L HN 0.327 nan 8.230 nan 0.000 0.414 165 I N 4.216 124.841 120.570 0.093 0.000 2.466 165 I HA 0.569 4.720 4.170 -0.032 0.000 0.289 165 I C -0.776 175.278 176.117 -0.103 0.000 1.026 165 I CA -0.527 60.719 61.300 -0.091 0.000 1.078 165 I CB 1.659 39.734 38.000 0.126 0.000 1.249 165 I HN 0.409 nan 8.210 nan 0.000 0.429 166 F N 4.918 124.797 119.950 -0.118 0.000 2.711 166 F HA 0.817 5.326 4.527 -0.031 0.000 0.313 166 F C -3.039 172.671 175.800 -0.151 0.000 1.141 166 F CA -2.548 55.327 58.000 -0.208 0.000 0.941 166 F CB 0.158 39.078 39.000 -0.135 0.000 1.349 166 F HN 0.096 nan 8.300 nan 0.000 0.464 167 P HA 0.179 nan 4.420 nan 0.000 0.323 167 P C 0.114 177.471 177.300 0.096 0.000 1.309 167 P CA -0.160 62.907 63.100 -0.054 0.000 0.739 167 P CB 0.546 32.038 31.700 -0.346 0.000 1.454 168 W N -0.345 121.035 121.300 0.134 0.000 2.998 168 W HA 0.154 4.796 4.660 -0.031 0.000 0.336 168 W C 0.672 177.279 176.519 0.147 0.000 1.112 168 W CA 0.085 57.514 57.345 0.141 0.000 1.682 168 W CB -1.124 28.406 29.460 0.117 0.000 1.065 168 W HN 0.215 nan 8.180 nan 0.000 0.570 169 N N 2.699 121.259 118.700 -0.233 0.000 2.376 169 N HA 0.014 4.735 4.740 -0.032 0.000 0.177 169 N C 0.550 176.071 175.510 0.018 0.000 1.024 169 N CA 1.073 54.039 53.050 -0.141 0.000 0.893 169 N CB -0.197 38.026 38.487 -0.439 0.000 0.980 169 N HN 0.055 nan 8.380 nan 0.000 0.439 170 A N 0.797 123.617 122.820 -0.000 0.000 3.300 170 A HA 0.476 4.777 4.320 -0.032 0.000 0.300 170 A C -2.114 175.481 177.584 0.018 0.000 1.099 170 A CA -0.992 51.050 52.037 0.009 0.000 0.846 170 A CB 1.136 20.107 19.000 -0.048 0.000 1.255 170 A HN -0.072 nan 8.150 nan 0.000 0.519 171 P HA -0.210 nan 4.420 nan 0.000 0.216 171 P C 1.717 179.035 177.300 0.030 0.000 1.153 171 P CA 1.412 64.583 63.100 0.118 0.000 0.858 171 P CB 0.084 31.887 31.700 0.173 0.000 0.789 172 M N -2.014 117.601 119.600 0.024 0.000 2.236 172 M HA -0.012 4.449 4.480 -0.032 0.000 0.266 172 M C 2.213 178.492 176.300 -0.035 0.000 1.070 172 M CA 1.273 56.575 55.300 0.002 0.000 1.137 172 M CB -1.083 31.532 32.600 0.024 0.000 1.378 172 M HN -0.018 nan 8.290 nan 0.000 0.426 173 I N -0.078 120.476 120.570 -0.027 0.000 2.286 173 I HA -0.274 3.877 4.170 -0.032 0.000 0.245 173 I C 2.113 178.173 176.117 -0.095 0.000 1.104 173 I CA 0.643 61.944 61.300 0.003 0.000 1.397 173 I CB -0.287 37.715 38.000 0.003 0.000 1.072 173 I HN 0.155 nan 8.210 nan 0.000 0.417 174 L N 0.069 121.163 121.223 -0.216 0.000 2.042 174 L HA -0.217 4.104 4.340 -0.032 0.000 0.210 174 L C 2.401 178.847 176.870 -0.707 0.000 1.076 174 L CA 1.751 56.322 54.840 -0.448 0.000 0.749 174 L CB -1.373 40.347 42.059 -0.565 0.000 0.893 174 L HN 0.261 nan 8.230 nan 0.000 0.432 175 L N -0.300 120.547 121.223 -0.627 0.000 2.027 175 L HA -0.070 4.251 4.340 -0.032 0.000 0.206 175 L C 2.539 179.271 176.870 -0.230 0.000 1.074 175 L CA 1.896 56.450 54.840 -0.475 0.000 0.745 175 L CB -0.741 41.215 42.059 -0.171 0.000 0.898 175 L HN 0.156 nan 8.230 nan 0.000 0.433 176 A N -1.179 121.553 122.820 -0.147 0.000 1.908 176 A HA -0.258 4.043 4.320 -0.032 0.000 0.218 176 A C 2.274 179.812 177.584 -0.077 0.000 1.181 176 A CA 1.992 53.978 52.037 -0.084 0.000 0.627 176 A CB -1.542 17.429 19.000 -0.049 0.000 0.818 176 A HN 0.638 nan 8.150 nan 0.000 0.445 177 C N -1.383 117.870 119.300 -0.079 0.000 2.500 177 C HA 0.129 4.570 4.460 -0.032 0.000 0.273 177 C C 2.518 177.490 174.990 -0.029 0.000 1.428 177 C CA 0.992 59.994 59.018 -0.027 0.000 1.766 177 C CB -0.877 26.874 27.740 0.018 0.000 1.817 177 C HN 0.520 nan 8.230 nan 0.000 0.543 178 K N 1.583 121.932 120.400 -0.086 0.000 2.157 178 K HA 0.206 4.507 4.320 -0.032 0.000 0.207 178 K C 1.762 178.287 176.600 -0.125 0.000 1.030 178 K CA 0.761 57.028 56.287 -0.033 0.000 0.965 178 K CB -0.584 31.921 32.500 0.008 0.000 0.877 178 K HN 0.507 nan 8.250 nan 0.000 0.460 179 I N -1.714 118.795 120.570 -0.103 0.000 2.394 179 I HA -0.028 4.123 4.170 -0.032 0.000 0.251 179 I C 1.885 177.930 176.117 -0.120 0.000 1.136 179 I CA 1.765 62.993 61.300 -0.120 0.000 1.425 179 I CB -0.853 37.086 38.000 -0.102 0.000 1.079 179 I HN 0.073 nan 8.210 nan 0.000 0.425 180 G N 2.212 110.960 108.800 -0.086 0.000 2.545 180 G HA2 -0.167 3.774 3.960 -0.032 0.000 0.217 180 G HA3 -0.167 3.774 3.960 -0.032 0.000 0.217 180 G C -0.391 174.474 174.900 -0.058 0.000 1.218 180 G CA 1.315 46.397 45.100 -0.031 0.000 0.787 180 G HN 0.387 nan 8.290 nan 0.000 0.571 181 P HA -0.012 nan 4.420 nan 0.000 0.216 181 P C 2.093 179.139 177.300 -0.423 0.000 1.150 181 P CA 2.003 64.984 63.100 -0.197 0.000 0.837 181 P CB -0.131 31.481 31.700 -0.146 0.000 0.786 182 A N -0.879 121.495 122.820 -0.742 0.000 1.872 182 A HA -0.128 4.173 4.320 -0.032 0.000 0.214 182 A C 2.009 179.532 177.584 -0.101 0.000 1.187 182 A CA 1.376 52.998 52.037 -0.692 0.000 0.614 182 A CB -1.568 17.047 19.000 -0.641 0.000 0.826 182 A HN 0.049 nan 8.150 nan 0.000 0.442 183 L N 0.256 121.486 121.223 0.012 0.000 2.093 183 L HA -0.180 4.141 4.340 -0.032 0.000 0.208 183 L C 2.939 179.999 176.870 0.316 0.000 1.085 183 L CA 1.835 56.856 54.840 0.300 0.000 0.755 183 L CB -1.240 41.000 42.059 0.301 0.000 0.904 183 L HN 0.752 nan 8.230 nan 0.000 0.435 184 C N -2.489 116.906 119.300 0.160 0.000 2.432 184 C HA -0.123 4.318 4.460 -0.032 0.000 0.280 184 C C 2.807 177.858 174.990 0.102 0.000 1.353 184 C CA 0.030 59.130 59.018 0.136 0.000 1.766 184 C CB -1.755 26.055 27.740 0.118 0.000 1.924 184 C HN 0.590 nan 8.230 nan 0.000 0.509 185 C N 0.805 120.165 119.300 0.100 0.000 2.514 185 C HA 0.418 4.859 4.460 -0.032 0.000 0.271 185 C C 2.276 177.340 174.990 0.122 0.000 1.399 185 C CA 1.214 60.300 59.018 0.113 0.000 1.765 185 C CB -1.554 26.269 27.740 0.138 0.000 1.893 185 C HN 1.064 nan 8.230 nan 0.000 0.531 186 G N 1.223 110.120 108.800 0.162 0.000 2.138 186 G HA2 -0.174 3.767 3.960 -0.032 0.000 0.193 186 G HA3 -0.174 3.767 3.960 -0.032 0.000 0.193 186 G C -0.277 174.927 174.900 0.507 0.000 0.998 186 G CA -0.325 44.858 45.100 0.138 0.000 0.668 186 G HN 0.490 nan 8.290 nan 0.000 0.516 187 N N 0.816 119.788 118.700 0.454 0.000 2.424 187 N HA 0.516 5.237 4.740 -0.032 0.000 0.257 187 N C 0.672 176.437 175.510 0.424 0.000 1.250 187 N CA 0.874 54.129 53.050 0.342 0.000 0.946 187 N CB 1.010 39.592 38.487 0.159 0.000 1.175 187 N HN 0.555 nan 8.380 nan 0.000 0.477 188 T N -2.773 111.887 114.554 0.177 0.000 2.945 188 T HA 0.687 5.018 4.350 -0.032 0.000 0.286 188 T C 0.048 174.721 174.700 -0.045 0.000 1.025 188 T CA -0.788 61.314 62.100 0.004 0.000 1.039 188 T CB 1.282 70.152 68.868 0.003 0.000 1.068 188 T HN 0.341 nan 8.240 nan 0.000 0.497 189 V N -0.937 118.926 119.914 -0.085 0.000 3.049 189 V HA 0.756 4.857 4.120 -0.032 0.000 0.309 189 V C -1.416 174.640 176.094 -0.065 0.000 1.148 189 V CA -1.302 60.964 62.300 -0.056 0.000 0.990 189 V CB 1.941 33.738 31.823 -0.043 0.000 1.039 189 V HN 0.944 nan 8.190 nan 0.000 0.430 190 I N 3.179 123.725 120.570 -0.039 0.000 2.389 190 I HA 0.598 4.749 4.170 -0.032 0.000 0.288 190 I C -0.373 175.740 176.117 -0.006 0.000 0.999 190 I CA -0.814 60.462 61.300 -0.039 0.000 1.129 190 I CB 1.457 39.423 38.000 -0.058 0.000 1.288 190 I HN 0.487 nan 8.210 nan 0.000 0.444 191 V N 6.427 126.340 119.914 -0.002 0.000 2.357 191 V HA 0.392 4.493 4.120 -0.032 0.000 0.284 191 V C 0.336 176.386 176.094 -0.073 0.000 1.018 191 V CA -0.680 61.626 62.300 0.011 0.000 0.841 191 V CB 1.987 33.856 31.823 0.076 0.000 0.991 191 V HN 0.535 nan 8.190 nan 0.000 0.437 192 K N 7.228 127.510 120.400 -0.197 0.000 2.423 192 K HA 0.428 4.729 4.320 -0.032 0.000 0.234 192 K C -2.629 173.663 176.600 -0.515 0.000 1.051 192 K CA -2.157 53.989 56.287 -0.236 0.000 1.021 192 K CB 1.745 34.159 32.500 -0.145 0.000 1.474 192 K HN 0.380 nan 8.250 nan 0.000 0.474 193 P HA 0.117 nan 4.420 nan 0.000 0.274 193 P C -0.561 176.602 177.300 -0.229 0.000 1.256 193 P CA -0.502 62.300 63.100 -0.496 0.000 0.795 193 P CB 0.615 32.280 31.700 -0.058 0.000 1.038 194 A N 1.269 124.048 122.820 -0.068 0.000 2.425 194 A HA 0.099 4.400 4.320 -0.032 0.000 0.249 194 A C 1.591 179.204 177.584 0.048 0.000 1.084 194 A CA -0.392 51.670 52.037 0.042 0.000 0.781 194 A CB -0.252 18.890 19.000 0.237 0.000 1.019 194 A HN 0.684 nan 8.150 nan 0.000 0.490 195 E N 2.024 122.180 120.200 -0.072 0.000 2.209 195 E HA -0.294 4.037 4.350 -0.032 0.000 0.196 195 E C 1.073 177.717 176.600 0.073 0.000 0.993 195 E CA 1.810 58.088 56.400 -0.202 0.000 0.819 195 E CB -0.256 28.995 29.700 -0.747 0.000 0.745 195 E HN 0.815 nan 8.360 nan 0.000 0.477 196 Q N 0.741 120.595 119.800 0.090 0.000 2.167 196 Q HA -0.029 4.292 4.340 -0.032 0.000 0.202 196 Q C 0.880 176.977 176.000 0.162 0.000 0.970 196 Q CA 1.922 57.788 55.803 0.105 0.000 0.855 196 Q CB 0.241 28.962 28.738 -0.029 0.000 0.911 196 Q HN 0.494 nan 8.270 nan 0.000 0.438 197 T N -3.534 111.141 114.554 0.203 0.000 3.658 197 T HA 0.297 4.628 4.350 -0.032 0.000 0.245 197 T C -2.453 172.359 174.700 0.185 0.000 1.292 197 T CA -1.326 60.894 62.100 0.201 0.000 1.598 197 T CB 1.070 70.095 68.868 0.261 0.000 0.861 197 T HN -0.022 nan 8.240 nan 0.000 0.663 198 P HA 0.239 nan 4.420 nan 0.000 0.251 198 P C 1.424 178.803 177.300 0.132 0.000 1.223 198 P CA -0.169 63.024 63.100 0.155 0.000 0.796 198 P CB 0.370 32.180 31.700 0.185 0.000 1.068 199 L N 0.371 121.660 121.223 0.109 0.000 2.044 199 L HA -0.083 4.238 4.340 -0.032 0.000 0.205 199 L C 2.714 179.664 176.870 0.132 0.000 1.075 199 L CA 2.373 57.270 54.840 0.094 0.000 0.747 199 L CB -1.571 40.521 42.059 0.056 0.000 0.903 199 L HN 0.113 nan 8.230 nan 0.000 0.435 200 T N -2.634 111.999 114.554 0.132 0.000 2.904 200 T HA -0.044 4.287 4.350 -0.032 0.000 0.267 200 T C 1.953 176.749 174.700 0.161 0.000 1.059 200 T CA 0.801 62.987 62.100 0.143 0.000 1.137 200 T CB -0.245 68.690 68.868 0.112 0.000 0.879 200 T HN 0.272 nan 8.240 nan 0.000 0.467 201 A N 1.975 124.889 122.820 0.157 0.000 1.908 201 A HA 0.112 4.413 4.320 -0.032 0.000 0.218 201 A C 2.443 180.094 177.584 0.110 0.000 1.181 201 A CA 1.424 53.546 52.037 0.142 0.000 0.627 201 A CB -0.961 18.149 19.000 0.184 0.000 0.818 201 A HN 0.551 nan 8.150 nan 0.000 0.445 202 L N -1.773 119.542 121.223 0.154 0.000 2.141 202 L HA -0.179 4.142 4.340 -0.032 0.000 0.209 202 L C 2.575 179.558 176.870 0.188 0.000 1.094 202 L CA 1.704 56.660 54.840 0.193 0.000 0.763 202 L CB -0.598 41.598 42.059 0.229 0.000 0.908 202 L HN 0.637 nan 8.230 nan 0.000 0.437 203 H N -0.573 118.571 119.070 0.124 0.000 2.395 203 H HA -0.086 4.450 4.556 -0.032 0.000 0.299 203 H C 2.119 177.464 175.328 0.028 0.000 1.070 203 H CA 1.220 57.356 56.048 0.146 0.000 1.356 203 H CB 0.215 30.072 29.762 0.157 0.000 1.401 203 H HN -0.035 nan 8.280 nan 0.000 0.524 204 V N 0.609 120.560 119.914 0.063 0.000 2.407 204 V HA -0.256 3.845 4.120 -0.032 0.000 0.248 204 V C 2.626 178.572 176.094 -0.247 0.000 1.055 204 V CA 1.516 63.786 62.300 -0.051 0.000 1.049 204 V CB -1.094 30.720 31.823 -0.015 0.000 0.662 204 V HN 0.678 nan 8.190 nan 0.000 0.455 205 A N 0.763 123.369 122.820 -0.356 0.000 1.933 205 A HA -0.224 4.077 4.320 -0.032 0.000 0.218 205 A C 2.556 179.562 177.584 -0.965 0.000 1.175 205 A CA 2.217 53.729 52.037 -0.876 0.000 0.628 205 A CB -0.759 17.610 19.000 -1.053 0.000 0.814 205 A HN 0.703 nan 8.150 nan 0.000 0.444 206 S N 0.051 115.442 115.700 -0.515 0.000 2.399 206 S HA -0.087 4.364 4.470 -0.032 0.000 0.231 206 S C 1.736 176.190 174.600 -0.244 0.000 1.022 206 S CA 1.496 59.488 58.200 -0.346 0.000 0.983 206 S CB -0.659 62.220 63.200 -0.535 0.000 0.803 206 S HN 0.478 nan 8.310 nan 0.000 0.480 207 L N 0.517 121.595 121.223 -0.241 0.000 2.341 207 L HA 0.126 4.447 4.340 -0.032 0.000 0.214 207 L C 2.387 179.238 176.870 -0.032 0.000 1.115 207 L CA 0.318 55.101 54.840 -0.096 0.000 0.820 207 L CB -0.502 41.528 42.059 -0.048 0.000 0.944 207 L HN 0.291 nan 8.230 nan 0.000 0.452 208 I N 0.393 120.887 120.570 -0.127 0.000 2.252 208 I HA -0.273 3.878 4.170 -0.032 0.000 0.245 208 I C 2.616 178.822 176.117 0.148 0.000 1.102 208 I CA 1.408 62.687 61.300 -0.034 0.000 1.385 208 I CB -0.704 37.132 38.000 -0.273 0.000 1.064 208 I HN 0.354 nan 8.210 nan 0.000 0.414 209 K N 1.359 121.805 120.400 0.077 0.000 1.985 209 K HA -0.262 4.039 4.320 -0.032 0.000 0.210 209 K C 2.061 178.726 176.600 0.109 0.000 1.047 209 K CA 1.993 58.359 56.287 0.133 0.000 0.932 209 K CB -0.216 32.362 32.500 0.131 0.000 0.716 209 K HN 0.259 nan 8.250 nan 0.000 0.439 210 E N -0.187 120.059 120.200 0.078 0.000 2.171 210 E HA -0.208 4.123 4.350 -0.032 0.000 0.197 210 E C 1.572 178.224 176.600 0.086 0.000 0.997 210 E CA 1.181 57.626 56.400 0.075 0.000 0.810 210 E CB -0.096 29.640 29.700 0.060 0.000 0.738 210 E HN 0.437 nan 8.360 nan 0.000 0.467 211 A N -0.015 122.879 122.820 0.124 0.000 2.016 211 A HA 0.154 4.455 4.320 -0.032 0.000 0.217 211 A C 1.858 179.473 177.584 0.052 0.000 1.162 211 A CA 1.193 53.303 52.037 0.121 0.000 0.662 211 A CB -0.334 18.810 19.000 0.239 0.000 0.812 211 A HN 0.549 nan 8.150 nan 0.000 0.450 212 G N -2.261 106.596 108.800 0.096 0.000 2.135 212 G HA2 -0.170 3.771 3.960 -0.032 0.000 0.183 212 G HA3 -0.170 3.771 3.960 -0.032 0.000 0.183 212 G C -0.101 174.807 174.900 0.014 0.000 1.004 212 G CA -0.244 44.880 45.100 0.040 0.000 0.677 212 G HN 0.260 nan 8.290 nan 0.000 0.512 213 F N 1.305 121.273 119.950 0.030 0.000 2.578 213 F HA 0.385 4.894 4.527 -0.030 0.000 0.376 213 F C -1.007 174.774 175.800 -0.031 0.000 1.085 213 F CA -1.380 56.614 58.000 -0.010 0.000 1.260 213 F CB 0.383 39.316 39.000 -0.110 0.000 1.095 213 F HN -0.068 nan 8.300 nan 0.000 0.573 214 P HA -0.012 nan 4.420 nan 0.000 0.266 214 P C -2.460 174.838 177.300 -0.004 0.000 1.193 214 P CA -0.829 62.317 63.100 0.077 0.000 0.770 214 P CB -0.254 31.523 31.700 0.129 0.000 0.836 215 P HA -0.001 nan 4.420 nan 0.000 0.264 215 P C 0.898 178.121 177.300 -0.127 0.000 1.193 215 P CA 1.065 64.104 63.100 -0.102 0.000 0.763 215 P CB 0.123 31.767 31.700 -0.093 0.000 0.810 216 G N 1.785 110.469 108.800 -0.194 0.000 2.176 216 G HA2 -0.279 3.662 3.960 -0.032 0.000 0.232 216 G HA3 -0.279 3.662 3.960 -0.032 0.000 0.232 216 G C 0.805 175.581 174.900 -0.207 0.000 0.986 216 G CA 0.099 45.087 45.100 -0.187 0.000 0.643 216 G HN 0.380 nan 8.290 nan 0.000 0.522 217 V N -0.202 119.540 119.914 -0.286 0.000 2.453 217 V HA 0.118 4.219 4.120 -0.032 0.000 0.247 217 V C 1.319 177.184 176.094 -0.383 0.000 1.048 217 V CA 1.942 63.949 62.300 -0.489 0.000 1.049 217 V CB 0.274 31.586 31.823 -0.851 0.000 0.672 217 V HN 0.433 nan 8.190 nan 0.000 0.457 218 V N 1.637 121.377 119.914 -0.290 0.000 2.482 218 V HA 0.464 4.565 4.120 -0.032 0.000 0.295 218 V C -0.896 175.164 176.094 -0.057 0.000 1.026 218 V CA -0.823 61.356 62.300 -0.201 0.000 0.856 218 V CB 1.689 33.335 31.823 -0.295 0.000 1.001 218 V HN 0.398 nan 8.190 nan 0.000 0.424 219 N N 5.378 124.043 118.700 -0.059 0.000 2.314 219 N HA 0.649 5.370 4.740 -0.032 0.000 0.294 219 N C -1.214 174.312 175.510 0.028 0.000 1.029 219 N CA -0.472 52.556 53.050 -0.037 0.000 0.845 219 N CB 3.071 41.479 38.487 -0.132 0.000 1.321 219 N HN 0.503 nan 8.380 nan 0.000 0.481 220 I N 1.673 122.305 120.570 0.104 0.000 2.418 220 I HA 0.250 4.401 4.170 -0.032 0.000 0.287 220 I C -0.047 176.123 176.117 0.087 0.000 1.008 220 I CA -1.099 60.253 61.300 0.086 0.000 1.104 220 I CB 1.828 39.886 38.000 0.096 0.000 1.264 220 I HN 0.202 nan 8.210 nan 0.000 0.438 221 V N 4.312 124.257 119.914 0.051 0.000 2.320 221 V HA 0.459 4.560 4.120 -0.032 0.000 0.268 221 V C -2.703 173.431 176.094 0.067 0.000 1.021 221 V CA -2.183 60.154 62.300 0.063 0.000 0.813 221 V CB 0.458 32.297 31.823 0.028 0.000 1.054 221 V HN 0.444 nan 8.190 nan 0.000 0.444 222 P HA 0.617 nan 4.420 nan 0.000 0.269 222 P C 0.606 177.983 177.300 0.128 0.000 1.215 222 P CA 0.823 64.020 63.100 0.162 0.000 0.780 222 P CB 1.152 33.032 31.700 0.301 0.000 0.898 223 G N -0.291 108.438 108.800 -0.120 0.000 2.343 223 G HA2 0.250 4.191 3.960 -0.032 0.000 0.289 223 G HA3 0.250 4.191 3.960 -0.032 0.000 0.289 223 G C -1.821 172.770 174.900 -0.516 0.000 1.295 223 G CA -0.702 44.176 45.100 -0.370 0.000 0.869 223 G HN 0.285 nan 8.290 nan 0.000 0.522 224 Y N -0.347 119.777 120.300 -0.293 0.000 2.418 224 Y HA 0.524 5.055 4.550 -0.031 0.000 0.327 224 Y C 1.852 177.694 175.900 -0.096 0.000 1.309 224 Y CA 0.834 58.812 58.100 -0.204 0.000 1.423 224 Y CB 1.178 39.526 38.460 -0.187 0.000 1.423 224 Y HN 0.696 nan 8.280 nan 0.000 0.532 225 G N 0.069 108.948 108.800 0.132 0.000 2.456 225 G HA2 -0.089 3.852 3.960 -0.032 0.000 0.213 225 G HA3 -0.089 3.852 3.960 -0.032 0.000 0.213 225 G C -1.091 173.845 174.900 0.060 0.000 1.215 225 G CA 0.436 45.586 45.100 0.083 0.000 0.805 225 G HN 0.498 nan 8.290 nan 0.000 0.537 226 P HA 0.024 nan 4.420 nan 0.000 0.226 226 P C 1.723 179.035 177.300 0.019 0.000 1.153 226 P CA 1.831 64.944 63.100 0.022 0.000 0.777 226 P CB 0.133 31.836 31.700 0.005 0.000 0.794 227 T N -3.256 111.319 114.554 0.035 0.000 3.401 227 T HA 0.253 4.584 4.350 -0.032 0.000 0.225 227 T C 1.972 176.695 174.700 0.038 0.000 0.961 227 T CA 0.617 62.737 62.100 0.034 0.000 1.429 227 T CB -1.175 67.718 68.868 0.041 0.000 1.213 227 T HN -0.107 nan 8.240 nan 0.000 0.440 228 A N 1.739 124.583 122.820 0.041 0.000 1.877 228 A HA 0.261 4.562 4.320 -0.032 0.000 0.216 228 A C 2.627 180.226 177.584 0.025 0.000 1.186 228 A CA 1.889 53.944 52.037 0.029 0.000 0.620 228 A CB -1.712 17.294 19.000 0.011 0.000 0.822 228 A HN 0.672 nan 8.150 nan 0.000 0.443 229 G N -0.578 108.237 108.800 0.024 0.000 2.421 229 G HA2 0.026 3.967 3.960 -0.032 0.000 0.216 229 G HA3 0.026 3.967 3.960 -0.032 0.000 0.216 229 G C 1.724 176.644 174.900 0.034 0.000 1.171 229 G CA 1.390 46.510 45.100 0.034 0.000 0.775 229 G HN 0.818 nan 8.290 nan 0.000 0.543 230 A N 0.898 123.733 122.820 0.025 0.000 2.015 230 A HA 0.401 4.702 4.320 -0.032 0.000 0.219 230 A C 2.704 180.302 177.584 0.023 0.000 1.163 230 A CA 1.859 53.903 52.037 0.012 0.000 0.646 230 A CB -0.507 18.495 19.000 0.002 0.000 0.806 230 A HN 0.720 nan 8.150 nan 0.000 0.448 231 A N -0.217 122.626 122.820 0.038 0.000 2.015 231 A HA 0.020 4.321 4.320 -0.032 0.000 0.219 231 A C 2.042 179.691 177.584 0.108 0.000 1.163 231 A CA 1.291 53.365 52.037 0.062 0.000 0.646 231 A CB -0.430 18.611 19.000 0.069 0.000 0.806 231 A HN 0.503 nan 8.150 nan 0.000 0.448 232 I N 0.113 120.730 120.570 0.079 0.000 2.235 232 I HA -0.185 3.966 4.170 -0.032 0.000 0.241 232 I C 2.898 179.062 176.117 0.079 0.000 1.085 232 I CA 1.431 62.775 61.300 0.074 0.000 1.378 232 I CB -0.323 37.697 38.000 0.034 0.000 1.076 232 I HN 0.487 nan 8.210 nan 0.000 0.415 233 S N 0.378 116.107 115.700 0.049 0.000 2.419 233 S HA -0.159 4.292 4.470 -0.032 0.000 0.233 233 S C 1.840 176.458 174.600 0.029 0.000 1.016 233 S CA 1.346 59.563 58.200 0.029 0.000 0.974 233 S CB -0.646 62.550 63.200 -0.007 0.000 0.786 233 S HN 0.517 nan 8.310 nan 0.000 0.492 234 S N -0.055 115.667 115.700 0.036 0.000 2.577 234 S HA 0.189 4.640 4.470 -0.032 0.000 0.219 234 S C 0.388 175.006 174.600 0.030 0.000 0.962 234 S CA -0.711 57.500 58.200 0.019 0.000 0.921 234 S CB -0.613 62.584 63.200 -0.006 0.000 0.789 234 S HN 0.623 nan 8.310 nan 0.000 0.497 235 H N 1.807 120.872 119.070 -0.008 0.000 2.683 235 H HA 0.255 4.792 4.556 -0.031 0.000 0.339 235 H C 0.971 176.295 175.328 -0.007 0.000 1.081 235 H CA -0.044 56.001 56.048 -0.006 0.000 1.432 235 H CB 0.952 30.712 29.762 -0.004 0.000 1.462 235 H HN 0.197 nan 8.280 nan 0.000 0.557 236 M N 2.793 122.395 119.600 0.003 0.000 2.562 236 M HA -0.065 4.396 4.480 -0.032 0.000 0.257 236 M C 0.599 176.994 176.300 0.157 0.000 1.099 236 M CA 0.863 56.196 55.300 0.055 0.000 1.099 236 M CB -0.532 32.047 32.600 -0.035 0.000 1.427 236 M HN 0.492 nan 8.290 nan 0.000 0.489 237 D N -0.132 120.489 120.400 0.369 0.000 2.571 237 D HA 0.179 4.800 4.640 -0.032 0.000 0.239 237 D C -0.783 175.545 176.300 0.046 0.000 1.267 237 D CA 0.102 54.211 54.000 0.182 0.000 0.823 237 D CB 0.833 41.741 40.800 0.179 0.000 1.056 237 D HN -0.126 nan 8.370 nan 0.000 0.494 238 V N 1.462 121.407 119.914 0.052 0.000 2.370 238 V HA 0.191 4.292 4.120 -0.032 0.000 0.283 238 V C 0.688 176.777 176.094 -0.009 0.000 1.023 238 V CA -0.479 61.803 62.300 -0.030 0.000 0.857 238 V CB 1.832 33.636 31.823 -0.032 0.000 0.985 238 V HN 0.080 nan 8.190 nan 0.000 0.443 239 D N 3.453 123.829 120.400 -0.041 0.000 2.305 239 D HA 0.055 4.676 4.640 -0.032 0.000 0.206 239 D C 0.674 176.955 176.300 -0.032 0.000 0.974 239 D CA 0.704 54.681 54.000 -0.040 0.000 0.871 239 D CB 0.830 41.584 40.800 -0.077 0.000 0.947 239 D HN 0.545 nan 8.370 nan 0.000 0.516 240 K N 0.295 120.680 120.400 -0.024 0.000 2.542 240 K HA 0.380 4.681 4.320 -0.032 0.000 0.259 240 K C -2.070 174.539 176.600 0.014 0.000 0.932 240 K CA -0.718 55.559 56.287 -0.017 0.000 0.820 240 K CB 2.934 35.410 32.500 -0.040 0.000 1.345 240 K HN -0.195 nan 8.250 nan 0.000 0.432 241 V N 2.776 122.706 119.914 0.026 0.000 2.531 241 V HA 0.821 4.922 4.120 -0.032 0.000 0.301 241 V C -1.213 174.931 176.094 0.083 0.000 1.034 241 V CA -0.274 62.066 62.300 0.067 0.000 0.865 241 V CB 1.330 33.196 31.823 0.071 0.000 0.995 241 V HN 0.926 nan 8.190 nan 0.000 0.424 242 A N 7.018 129.913 122.820 0.125 0.000 2.253 242 A HA 0.752 5.053 4.320 -0.032 0.000 0.316 242 A C -1.000 176.714 177.584 0.215 0.000 1.327 242 A CA -0.381 51.742 52.037 0.144 0.000 0.917 242 A CB 0.302 19.409 19.000 0.179 0.000 1.162 242 A HN 1.097 nan 8.150 nan 0.000 0.535 243 F N 2.512 122.493 119.950 0.051 0.000 2.469 243 F HA 0.685 5.193 4.527 -0.032 0.000 0.332 243 F C -0.104 175.724 175.800 0.047 0.000 1.103 243 F CA 0.032 58.062 58.000 0.049 0.000 0.979 243 F CB 2.115 41.121 39.000 0.011 0.000 1.137 243 F HN 0.412 nan 8.300 nan 0.000 0.463 244 T N 4.276 118.332 114.554 -0.831 0.000 2.848 244 T HA 0.807 5.138 4.350 -0.032 0.000 0.285 244 T C -0.274 173.775 174.700 -1.085 0.000 0.995 244 T CA -0.224 61.480 62.100 -0.659 0.000 0.970 244 T CB 1.328 70.046 68.868 -0.250 0.000 0.976 244 T HN 1.150 nan 8.240 nan 0.000 0.441 245 G N 1.639 110.075 108.800 -0.606 0.000 2.356 245 G HA2 0.371 4.312 3.960 -0.032 0.000 0.266 245 G HA3 0.371 4.312 3.960 -0.032 0.000 0.266 245 G C -0.568 174.369 174.900 0.062 0.000 1.312 245 G CA -0.306 44.604 45.100 -0.317 0.000 0.922 245 G HN 1.053 nan 8.290 nan 0.000 0.480 246 S N -0.388 115.404 115.700 0.155 0.000 2.562 246 S HA 0.396 4.847 4.470 -0.032 0.000 0.281 246 S C 1.507 176.215 174.600 0.180 0.000 1.333 246 S CA 1.136 59.403 58.200 0.113 0.000 1.052 246 S CB 1.192 64.439 63.200 0.079 0.000 0.884 246 S HN 1.073 nan 8.310 nan 0.000 0.506 247 T N 1.771 116.405 114.554 0.134 0.000 2.737 247 T HA -0.157 4.174 4.350 -0.032 0.000 0.269 247 T C 1.626 176.348 174.700 0.038 0.000 1.040 247 T CA 2.002 64.169 62.100 0.112 0.000 1.142 247 T CB -0.517 68.444 68.868 0.155 0.000 0.861 247 T HN 0.814 nan 8.240 nan 0.000 0.456 248 E N 0.611 120.832 120.200 0.034 0.000 2.077 248 E HA -0.075 4.256 4.350 -0.032 0.000 0.193 248 E C 2.133 178.704 176.600 -0.048 0.000 0.989 248 E CA 0.737 57.134 56.400 -0.006 0.000 0.800 248 E CB -0.455 29.250 29.700 0.008 0.000 0.746 248 E HN 0.294 nan 8.360 nan 0.000 0.452 249 V N -0.108 119.781 119.914 -0.041 0.000 2.379 249 V HA -0.120 3.981 4.120 -0.032 0.000 0.245 249 V C 2.291 178.126 176.094 -0.431 0.000 1.044 249 V CA 1.720 63.926 62.300 -0.157 0.000 1.036 249 V CB -1.032 30.782 31.823 -0.014 0.000 0.664 249 V HN 0.470 nan 8.190 nan 0.000 0.453 250 G N 0.004 108.538 108.800 -0.443 0.000 2.469 250 G HA2 -0.291 3.650 3.960 -0.032 0.000 0.220 250 G HA3 -0.291 3.650 3.960 -0.032 0.000 0.220 250 G C 1.649 176.388 174.900 -0.268 0.000 1.136 250 G CA 1.032 45.853 45.100 -0.466 0.000 0.759 250 G HN 0.484 nan 8.290 nan 0.000 0.562 251 K N -0.418 119.882 120.400 -0.167 0.000 2.057 251 K HA 0.041 4.342 4.320 -0.032 0.000 0.207 251 K C 2.624 179.147 176.600 -0.129 0.000 1.049 251 K CA 1.268 57.484 56.287 -0.118 0.000 0.931 251 K CB -0.221 32.227 32.500 -0.085 0.000 0.714 251 K HN 0.327 nan 8.250 nan 0.000 0.440 252 M N 0.477 119.984 119.600 -0.156 0.000 2.296 252 M HA -0.093 4.368 4.480 -0.032 0.000 0.265 252 M C 1.982 178.190 176.300 -0.154 0.000 1.064 252 M CA 1.045 56.264 55.300 -0.135 0.000 1.109 252 M CB -0.071 32.456 32.600 -0.123 0.000 1.396 252 M HN 0.100 nan 8.290 nan 0.000 0.430 253 I N -0.254 120.173 120.570 -0.239 0.000 2.286 253 I HA -0.223 3.928 4.170 -0.032 0.000 0.245 253 I C 2.411 178.452 176.117 -0.126 0.000 1.104 253 I CA 1.382 62.551 61.300 -0.219 0.000 1.397 253 I CB -0.895 36.871 38.000 -0.389 0.000 1.072 253 I HN 0.322 nan 8.210 nan 0.000 0.417 254 Q N 1.310 121.039 119.800 -0.119 0.000 2.084 254 Q HA -0.258 4.063 4.340 -0.032 0.000 0.202 254 Q C 2.111 178.084 176.000 -0.046 0.000 0.978 254 Q CA 2.047 57.817 55.803 -0.055 0.000 0.844 254 Q CB -0.123 28.594 28.738 -0.034 0.000 0.898 254 Q HN 0.461 nan 8.270 nan 0.000 0.426 255 E N -1.006 119.159 120.200 -0.059 0.000 2.051 255 E HA -0.197 4.134 4.350 -0.032 0.000 0.192 255 E C 1.785 178.359 176.600 -0.043 0.000 0.991 255 E CA 1.054 57.425 56.400 -0.048 0.000 0.799 255 E CB -0.271 29.397 29.700 -0.053 0.000 0.748 255 E HN 0.449 nan 8.360 nan 0.000 0.449 256 A N 1.148 123.938 122.820 -0.051 0.000 1.940 256 A HA -0.138 4.163 4.320 -0.032 0.000 0.219 256 A C 2.397 179.965 177.584 -0.027 0.000 1.176 256 A CA 1.875 53.889 52.037 -0.039 0.000 0.631 256 A CB -0.841 18.133 19.000 -0.043 0.000 0.814 256 A HN 0.433 nan 8.150 nan 0.000 0.446 257 A N -0.126 122.678 122.820 -0.027 0.000 1.902 257 A HA 0.145 4.446 4.320 -0.032 0.000 0.217 257 A C 2.518 180.092 177.584 -0.016 0.000 1.181 257 A CA 2.131 54.159 52.037 -0.015 0.000 0.623 257 A CB -1.042 17.951 19.000 -0.013 0.000 0.818 257 A HN 1.077 nan 8.150 nan 0.000 0.443 258 A N -0.211 122.597 122.820 -0.021 0.000 1.883 258 A HA -0.166 4.135 4.320 -0.032 0.000 0.217 258 A C 2.025 179.597 177.584 -0.021 0.000 1.186 258 A CA 1.884 53.908 52.037 -0.022 0.000 0.624 258 A CB -0.379 18.606 19.000 -0.025 0.000 0.822 258 A HN 0.520 nan 8.150 nan 0.000 0.444 259 K N -0.071 120.315 120.400 -0.023 0.000 2.444 259 K HA 0.051 4.352 4.320 -0.032 0.000 0.193 259 K C 1.615 178.202 176.600 -0.021 0.000 1.024 259 K CA 0.710 56.983 56.287 -0.023 0.000 1.077 259 K CB 0.175 32.660 32.500 -0.025 0.000 0.833 259 K HN 0.689 nan 8.250 nan 0.000 0.517 260 S N 1.112 116.801 115.700 -0.018 0.000 2.885 260 S HA -0.012 4.439 4.470 -0.032 0.000 0.172 260 S C 1.027 175.621 174.600 -0.010 0.000 0.703 260 S CA 0.159 58.349 58.200 -0.016 0.000 0.820 260 S CB -0.199 62.995 63.200 -0.010 0.000 0.766 260 S HN 0.272 nan 8.310 nan 0.000 0.605 261 N N 1.065 119.763 118.700 -0.003 0.000 2.240 261 N HA 0.249 4.970 4.740 -0.032 0.000 0.240 261 N C -0.153 175.354 175.510 -0.004 0.000 1.277 261 N CA -0.174 52.876 53.050 -0.000 0.000 0.873 261 N CB -0.650 37.844 38.487 0.012 0.000 1.222 261 N HN 0.497 nan 8.380 nan 0.000 0.507 262 L N 0.492 121.710 121.223 -0.009 0.000 3.829 262 L HA -0.317 4.004 4.340 -0.032 0.000 0.440 262 L C 0.145 177.007 176.870 -0.013 0.000 1.192 262 L CA 0.777 55.608 54.840 -0.014 0.000 0.848 262 L CB -1.742 40.306 42.059 -0.018 0.000 1.744 262 L HN 0.427 nan 8.230 nan 0.000 0.920 263 K N -0.354 120.042 120.400 -0.007 0.000 2.494 263 K HA 0.293 4.594 4.320 -0.032 0.000 0.273 263 K C 0.371 176.962 176.600 -0.015 0.000 0.970 263 K CA -0.442 55.840 56.287 -0.008 0.000 0.963 263 K CB 0.392 32.893 32.500 0.002 0.000 0.913 263 K HN 0.052 nan 8.250 nan 0.000 0.502 264 R N 1.034 121.519 120.500 -0.026 0.000 2.543 264 R HA 0.223 4.544 4.340 -0.032 0.000 0.277 264 R C -0.635 175.655 176.300 -0.017 0.000 1.074 264 R CA -0.313 55.766 56.100 -0.035 0.000 1.076 264 R CB 1.038 31.301 30.300 -0.062 0.000 0.993 264 R HN 0.448 nan 8.270 nan 0.000 0.459 265 V N 1.697 121.616 119.914 0.008 0.000 2.656 265 V HA 0.460 4.561 4.120 -0.032 0.000 0.307 265 V C -0.200 175.955 176.094 0.103 0.000 1.051 265 V CA -0.649 61.683 62.300 0.053 0.000 0.893 265 V CB 2.350 34.218 31.823 0.076 0.000 0.999 265 V HN 0.727 nan 8.190 nan 0.000 0.426 266 T N 5.579 120.180 114.554 0.079 0.000 2.848 266 T HA 0.757 5.088 4.350 -0.032 0.000 0.285 266 T C -0.983 173.757 174.700 0.066 0.000 0.995 266 T CA -0.267 61.885 62.100 0.087 0.000 0.970 266 T CB 0.805 69.669 68.868 -0.007 0.000 0.976 266 T HN 0.419 nan 8.240 nan 0.000 0.441 267 L N 3.183 124.384 121.223 -0.037 0.000 2.410 267 L HA 0.674 4.995 4.340 -0.032 0.000 0.270 267 L C -0.675 176.184 176.870 -0.017 0.000 0.983 267 L CA -0.886 53.939 54.840 -0.025 0.000 0.822 267 L CB 2.267 44.191 42.059 -0.226 0.000 1.285 267 L HN 0.451 nan 8.230 nan 0.000 0.409 268 E N 3.219 123.454 120.200 0.057 0.000 2.460 268 E HA 0.582 4.913 4.350 -0.032 0.000 0.249 268 E C -1.098 175.513 176.600 0.018 0.000 0.962 268 E CA -0.057 56.354 56.400 0.018 0.000 0.787 268 E CB 1.280 30.980 29.700 -0.001 0.000 1.341 268 E HN 0.389 nan 8.360 nan 0.000 0.407 269 L N 0.029 121.278 121.223 0.045 0.000 2.670 269 L HA 0.751 5.072 4.340 -0.032 0.000 0.251 269 L C 1.176 178.050 176.870 0.007 0.000 1.548 269 L CA -1.449 53.434 54.840 0.072 0.000 1.643 269 L CB 0.172 42.311 42.059 0.132 0.000 2.174 269 L HN 0.477 nan 8.230 nan 0.000 0.585 270 G N -0.651 108.161 108.800 0.021 0.000 2.630 270 G HA2 0.449 4.390 3.960 -0.032 0.000 0.236 270 G HA3 0.449 4.390 3.960 -0.032 0.000 0.236 270 G C -0.808 173.790 174.900 -0.504 0.000 1.248 270 G CA 0.384 45.374 45.100 -0.183 0.000 0.844 270 G HN 0.740 nan 8.290 nan 0.000 0.588 271 A N 0.447 122.838 122.820 -0.715 0.000 2.539 271 A HA 0.796 5.097 4.320 -0.032 0.000 0.296 271 A C -0.587 176.638 177.584 -0.599 0.000 1.073 271 A CA -0.833 50.818 52.037 -0.643 0.000 0.700 271 A CB 2.201 21.078 19.000 -0.205 0.000 1.296 271 A HN 0.638 nan 8.150 nan 0.000 0.405 272 K N 1.733 121.943 120.400 -0.316 0.000 2.723 272 K HA 0.296 4.597 4.320 -0.032 0.000 0.229 272 K C -1.419 175.208 176.600 0.044 0.000 1.022 272 K CA -0.241 56.019 56.287 -0.044 0.000 1.045 272 K CB 0.272 32.853 32.500 0.134 0.000 1.227 272 K HN 0.662 nan 8.250 nan 0.000 0.516 273 N N 5.253 123.978 118.700 0.041 0.000 2.408 273 N HA 0.262 4.983 4.740 -0.032 0.000 0.257 273 N C -2.516 173.061 175.510 0.111 0.000 1.064 273 N CA -1.370 51.733 53.050 0.089 0.000 0.952 273 N CB 1.081 39.659 38.487 0.151 0.000 1.093 273 N HN 0.393 nan 8.380 nan 0.000 0.490 274 P HA 0.209 nan 4.420 nan 0.000 0.276 274 P C -0.495 176.935 177.300 0.216 0.000 1.244 274 P CA -0.405 62.818 63.100 0.206 0.000 0.801 274 P CB 1.229 33.108 31.700 0.297 0.000 1.006 275 C N 3.412 122.852 119.300 0.233 0.000 2.620 275 C HA 0.500 4.941 4.460 -0.032 0.000 0.356 275 C C -0.317 174.811 174.990 0.229 0.000 1.082 275 C CA -0.411 58.752 59.018 0.241 0.000 1.293 275 C CB -0.801 27.014 27.740 0.126 0.000 1.836 275 C HN 0.422 nan 8.230 nan 0.000 0.453 276 I N 5.573 126.277 120.570 0.224 0.000 2.339 276 I HA 0.487 4.638 4.170 -0.032 0.000 0.290 276 I C -0.375 175.830 176.117 0.147 0.000 0.994 276 I CA -0.410 60.913 61.300 0.039 0.000 1.191 276 I CB 1.545 39.410 38.000 -0.225 0.000 1.343 276 I HN 0.234 nan 8.210 nan 0.000 0.458 277 V N 6.953 126.909 119.914 0.070 0.000 2.326 277 V HA 0.374 4.475 4.120 -0.032 0.000 0.281 277 V C -0.186 175.987 176.094 0.132 0.000 1.015 277 V CA -0.552 61.841 62.300 0.154 0.000 0.823 277 V CB 0.671 32.479 31.823 -0.025 0.000 1.009 277 V HN 0.388 nan 8.190 nan 0.000 0.436 278 F N 1.935 122.082 119.950 0.328 0.000 2.380 278 F HA 0.508 5.016 4.527 -0.032 0.000 0.325 278 F C 1.646 177.551 175.800 0.175 0.000 1.136 278 F CA 0.101 58.271 58.000 0.283 0.000 1.171 278 F CB 1.197 40.345 39.000 0.246 0.000 1.230 278 F HN 0.509 nan 8.300 nan 0.000 0.554 279 A N 0.645 123.648 122.820 0.305 0.000 2.070 279 A HA -0.150 4.151 4.320 -0.032 0.000 0.220 279 A C 1.313 179.007 177.584 0.183 0.000 1.159 279 A CA 1.585 53.729 52.037 0.179 0.000 0.656 279 A CB -0.868 18.200 19.000 0.114 0.000 0.800 279 A HN 0.736 nan 8.150 nan 0.000 0.453 280 D N -0.257 120.271 120.400 0.213 0.000 2.889 280 D HA 0.463 5.084 4.640 -0.032 0.000 0.243 280 D C 0.118 176.529 176.300 0.184 0.000 1.270 280 D CA 0.442 54.538 54.000 0.160 0.000 0.838 280 D CB -0.323 40.547 40.800 0.116 0.000 1.040 280 D HN 0.292 nan 8.370 nan 0.000 0.480 281 A N 0.038 122.993 122.820 0.225 0.000 2.299 281 A HA 0.380 4.681 4.320 -0.032 0.000 0.332 281 A C -0.198 177.511 177.584 0.208 0.000 1.131 281 A CA -0.784 51.405 52.037 0.254 0.000 0.844 281 A CB 1.030 20.243 19.000 0.355 0.000 1.251 281 A HN 0.114 nan 8.150 nan 0.000 0.486 282 D N 1.289 121.820 120.400 0.218 0.000 2.346 282 D HA 0.037 4.658 4.640 -0.032 0.000 0.267 282 D C 0.919 177.331 176.300 0.186 0.000 1.320 282 D CA -0.200 53.910 54.000 0.183 0.000 0.951 282 D CB 0.423 41.338 40.800 0.191 0.000 1.079 282 D HN 0.335 nan 8.370 nan 0.000 0.509 283 L N 4.749 126.055 121.223 0.137 0.000 2.005 283 L HA -0.128 4.193 4.340 -0.032 0.000 0.207 283 L C 1.450 178.340 176.870 0.033 0.000 1.072 283 L CA 1.742 56.649 54.840 0.111 0.000 0.744 283 L CB -0.685 41.427 42.059 0.088 0.000 0.895 283 L HN 0.322 nan 8.230 nan 0.000 0.433 284 D N -0.893 119.517 120.400 0.015 0.000 2.157 284 D HA -0.245 4.376 4.640 -0.032 0.000 0.191 284 D C 2.383 178.670 176.300 -0.021 0.000 1.004 284 D CA 1.835 55.818 54.000 -0.029 0.000 0.854 284 D CB -0.369 40.424 40.800 -0.011 0.000 0.936 284 D HN 0.434 nan 8.370 nan 0.000 0.446 285 S N -0.655 115.087 115.700 0.070 0.000 2.414 285 S HA 0.059 4.510 4.470 -0.032 0.000 0.227 285 S C 1.943 176.696 174.600 0.254 0.000 1.022 285 S CA 1.017 59.303 58.200 0.143 0.000 0.958 285 S CB -0.078 63.284 63.200 0.271 0.000 0.797 285 S HN 0.239 nan 8.310 nan 0.000 0.493 286 A N 1.051 123.974 122.820 0.172 0.000 1.902 286 A HA 0.028 4.329 4.320 -0.032 0.000 0.217 286 A C 2.291 179.818 177.584 -0.095 0.000 1.181 286 A CA 1.697 53.667 52.037 -0.111 0.000 0.623 286 A CB -1.065 17.853 19.000 -0.138 0.000 0.818 286 A HN 0.439 nan 8.150 nan 0.000 0.443 287 V N 0.120 119.938 119.914 -0.158 0.000 2.287 287 V HA -0.264 3.837 4.120 -0.032 0.000 0.248 287 V C 2.634 178.655 176.094 -0.121 0.000 1.053 287 V CA 2.546 64.623 62.300 -0.373 0.000 1.027 287 V CB -0.678 30.817 31.823 -0.547 0.000 0.646 287 V HN 0.767 nan 8.190 nan 0.000 0.447 288 E N 0.011 120.158 120.200 -0.089 0.000 2.046 288 E HA -0.169 4.162 4.350 -0.032 0.000 0.190 288 E C 1.906 178.518 176.600 0.020 0.000 0.982 288 E CA 1.477 57.836 56.400 -0.067 0.000 0.800 288 E CB -0.393 29.203 29.700 -0.175 0.000 0.756 288 E HN 0.467 nan 8.360 nan 0.000 0.449 289 F N 0.723 120.728 119.950 0.091 0.000 2.126 289 F HA -0.083 4.424 4.527 -0.032 0.000 0.299 289 F C 2.358 178.219 175.800 0.101 0.000 1.096 289 F CA 1.389 59.486 58.000 0.163 0.000 1.255 289 F CB -0.943 38.257 39.000 0.333 0.000 0.997 289 F HN 0.180 nan 8.300 nan 0.000 0.479 290 A N -1.402 121.533 122.820 0.192 0.000 1.969 290 A HA -0.212 4.089 4.320 -0.032 0.000 0.218 290 A C 2.276 179.911 177.584 0.086 0.000 1.169 290 A CA 1.629 53.694 52.037 0.047 0.000 0.635 290 A CB -1.126 17.921 19.000 0.077 0.000 0.810 290 A HN 0.529 nan 8.150 nan 0.000 0.445 291 H N -0.224 118.903 119.070 0.095 0.000 2.293 291 H HA -0.111 4.426 4.556 -0.032 0.000 0.300 291 H C 1.963 177.440 175.328 0.247 0.000 1.082 291 H CA 1.924 58.096 56.048 0.208 0.000 1.308 291 H CB -0.036 29.820 29.762 0.155 0.000 1.375 291 H HN 0.517 nan 8.280 nan 0.000 0.495 292 Q N -0.228 119.697 119.800 0.209 0.000 2.170 292 Q HA -0.085 4.236 4.340 -0.032 0.000 0.203 292 Q C 2.490 178.556 176.000 0.110 0.000 0.976 292 Q CA 1.014 56.916 55.803 0.164 0.000 0.858 292 Q CB -0.364 28.483 28.738 0.182 0.000 0.907 292 Q HN 0.560 nan 8.270 nan 0.000 0.433 293 G N 0.524 109.376 108.800 0.086 0.000 2.418 293 G HA2 -0.182 3.759 3.960 -0.032 0.000 0.217 293 G HA3 -0.182 3.759 3.960 -0.032 0.000 0.217 293 G C 1.588 176.438 174.900 -0.084 0.000 1.158 293 G CA 0.837 45.953 45.100 0.027 0.000 0.771 293 G HN 0.219 nan 8.290 nan 0.000 0.545 294 V N -0.271 119.507 119.914 -0.227 0.000 2.283 294 V HA 0.038 4.139 4.120 -0.032 0.000 0.243 294 V C 2.178 178.001 176.094 -0.451 0.000 1.039 294 V CA 1.294 63.327 62.300 -0.446 0.000 1.016 294 V CB -0.437 30.889 31.823 -0.829 0.000 0.650 294 V HN 0.308 nan 8.190 nan 0.000 0.449 295 F N -0.615 119.211 119.950 -0.207 0.000 2.721 295 F HA 0.217 4.725 4.527 -0.032 0.000 0.301 295 F C 1.297 177.038 175.800 -0.099 0.000 1.096 295 F CA -0.119 57.748 58.000 -0.220 0.000 1.308 295 F CB -0.396 38.332 39.000 -0.452 0.000 1.086 295 F HN -0.038 nan 8.300 nan 0.000 0.587 296 T N 1.088 115.691 114.554 0.082 0.000 2.930 296 T HA -0.039 4.292 4.350 -0.032 0.000 0.306 296 T C 0.856 175.582 174.700 0.044 0.000 1.045 296 T CA 0.118 62.272 62.100 0.089 0.000 1.134 296 T CB 0.092 69.006 68.868 0.077 0.000 0.961 296 T HN 0.370 nan 8.240 nan 0.000 0.545 297 N N 1.848 120.589 118.700 0.068 0.000 2.721 297 N HA -0.264 4.457 4.740 -0.032 0.000 0.249 297 N C -0.375 175.162 175.510 0.045 0.000 1.072 297 N CA 0.288 53.368 53.050 0.050 0.000 0.710 297 N CB -0.485 38.000 38.487 -0.004 0.000 0.993 297 N HN 0.718 nan 8.380 nan 0.000 0.547 298 Q N -2.190 117.677 119.800 0.111 0.000 2.434 298 Q HA -0.232 4.089 4.340 -0.032 0.000 0.299 298 Q C 1.064 177.088 176.000 0.039 0.000 1.286 298 Q CA 1.624 57.516 55.803 0.148 0.000 0.872 298 Q CB -1.869 26.933 28.738 0.108 0.000 1.193 298 Q HN 0.817 nan 8.270 nan 0.000 0.466 299 G N -1.103 107.661 108.800 -0.059 0.000 2.189 299 G HA2 -0.395 3.546 3.960 -0.032 0.000 0.267 299 G HA3 -0.395 3.546 3.960 -0.032 0.000 0.267 299 G C 0.072 174.711 174.900 -0.434 0.000 0.975 299 G CA 0.479 45.458 45.100 -0.202 0.000 0.644 299 G HN 0.493 nan 8.290 nan 0.000 0.537 300 Q N 0.557 120.078 119.800 -0.466 0.000 3.006 300 Q HA 0.531 4.852 4.340 -0.032 0.000 0.260 300 Q C -0.024 175.410 176.000 -0.944 0.000 1.356 300 Q CA 0.458 55.670 55.803 -0.985 0.000 1.070 300 Q CB 0.753 29.372 28.738 -0.198 0.000 1.507 300 Q HN 0.271 nan 8.270 nan 0.000 0.568 301 S N -0.260 114.815 115.700 -1.042 0.000 2.562 301 S HA 0.143 4.594 4.470 -0.032 0.000 0.274 301 S C 0.664 175.199 174.600 -0.107 0.000 1.160 301 S CA -0.804 57.169 58.200 -0.379 0.000 0.933 301 S CB 0.690 63.779 63.200 -0.186 0.000 1.100 301 S HN 0.705 nan 8.310 nan 0.000 0.468 302 C N 3.941 123.317 119.300 0.126 0.000 2.432 302 C HA 0.152 4.593 4.460 -0.032 0.000 0.282 302 C C 1.924 176.955 174.990 0.067 0.000 1.388 302 C CA 0.567 59.675 59.018 0.150 0.000 1.777 302 C CB -2.000 25.782 27.740 0.070 0.000 1.882 302 C HN 0.824 nan 8.230 nan 0.000 0.520 303 I N -0.209 120.405 120.570 0.073 0.000 3.861 303 I HA 0.463 4.614 4.170 -0.032 0.000 0.329 303 I C 1.016 177.310 176.117 0.295 0.000 1.321 303 I CA -0.216 61.167 61.300 0.139 0.000 1.126 303 I CB -0.635 37.470 38.000 0.176 0.000 1.018 303 I HN 0.187 nan 8.210 nan 0.000 0.407 304 A N 1.860 124.789 122.820 0.182 0.000 2.425 304 A HA 0.679 4.980 4.320 -0.032 0.000 0.249 304 A C 0.681 178.353 177.584 0.146 0.000 1.084 304 A CA 0.009 52.144 52.037 0.164 0.000 0.781 304 A CB 0.280 19.259 19.000 -0.034 0.000 1.019 304 A HN 0.567 nan 8.150 nan 0.000 0.490 305 A N 2.526 125.341 122.820 -0.009 0.000 2.444 305 A HA 0.481 4.782 4.320 -0.032 0.000 0.273 305 A C 1.044 178.548 177.584 -0.134 0.000 1.136 305 A CA 0.290 52.233 52.037 -0.157 0.000 0.799 305 A CB -0.218 18.505 19.000 -0.462 0.000 1.081 305 A HN 0.987 nan 8.150 nan 0.000 0.509 306 S N 2.736 118.390 115.700 -0.077 0.000 2.612 306 S HA 0.125 4.576 4.470 -0.032 0.000 0.193 306 S C 0.534 175.064 174.600 -0.117 0.000 0.898 306 S CA 0.140 58.285 58.200 -0.091 0.000 0.872 306 S CB -0.308 62.866 63.200 -0.043 0.000 0.843 306 S HN 0.708 nan 8.310 nan 0.000 0.611 307 K N 1.490 121.816 120.400 -0.122 0.000 2.416 307 K HA 0.282 4.583 4.320 -0.032 0.000 0.283 307 K C -1.422 175.011 176.600 -0.278 0.000 1.037 307 K CA 0.005 56.136 56.287 -0.260 0.000 0.995 307 K CB 0.400 32.705 32.500 -0.326 0.000 0.938 307 K HN 0.091 nan 8.250 nan 0.000 0.475 308 L N 5.218 126.242 121.223 -0.332 0.000 2.384 308 L HA 0.296 4.617 4.340 -0.032 0.000 0.261 308 L C -1.132 175.576 176.870 -0.271 0.000 1.024 308 L CA -0.310 54.387 54.840 -0.238 0.000 0.899 308 L CB 0.226 42.187 42.059 -0.163 0.000 1.243 308 L HN 0.408 nan 8.230 nan 0.000 0.449 309 F N 3.281 123.201 119.950 -0.049 0.000 2.506 309 F HA 0.392 4.899 4.527 -0.032 0.000 0.371 309 F C 0.398 176.269 175.800 0.117 0.000 1.078 309 F CA -0.120 57.903 58.000 0.039 0.000 1.195 309 F CB 0.625 39.549 39.000 -0.127 0.000 1.099 309 F HN 0.001 nan 8.300 nan 0.000 0.548 310 V N 3.096 123.219 119.914 0.349 0.000 2.638 310 V HA 0.225 4.326 4.120 -0.032 0.000 0.306 310 V C -0.182 175.787 176.094 -0.209 0.000 1.052 310 V CA -1.282 61.046 62.300 0.048 0.000 0.885 310 V CB 1.750 33.424 31.823 -0.249 0.000 0.999 310 V HN 0.688 nan 8.190 nan 0.000 0.424 311 E N 3.003 122.869 120.200 -0.556 0.000 2.413 311 E HA 0.020 4.351 4.350 -0.032 0.000 0.263 311 E C 1.133 177.484 176.600 -0.415 0.000 1.015 311 E CA -0.001 55.788 56.400 -1.018 0.000 0.916 311 E CB 0.729 30.056 29.700 -0.621 0.000 0.947 311 E HN 0.728 nan 8.360 nan 0.000 0.440 312 E N 3.921 123.872 120.200 -0.416 0.000 2.065 312 E HA -0.299 4.032 4.350 -0.032 0.000 0.201 312 E C 1.591 178.156 176.600 -0.058 0.000 1.016 312 E CA 1.797 58.079 56.400 -0.196 0.000 0.818 312 E CB -0.302 29.287 29.700 -0.185 0.000 0.749 312 E HN 0.672 nan 8.360 nan 0.000 0.453 313 A N 0.912 123.695 122.820 -0.062 0.000 2.024 313 A HA -0.156 4.145 4.320 -0.032 0.000 0.220 313 A C 2.179 179.785 177.584 0.037 0.000 1.164 313 A CA 1.704 53.740 52.037 -0.003 0.000 0.643 313 A CB -0.643 18.357 19.000 0.001 0.000 0.806 313 A HN 0.478 nan 8.150 nan 0.000 0.451 314 I N -5.851 114.748 120.570 0.048 0.000 4.081 314 I HA 0.313 4.464 4.170 -0.032 0.000 0.333 314 I C 1.681 177.877 176.117 0.132 0.000 1.413 314 I CA -0.282 61.072 61.300 0.090 0.000 1.110 314 I CB -0.086 37.976 38.000 0.104 0.000 1.082 314 I HN 0.123 nan 8.210 nan 0.000 0.402 315 Y N 2.574 122.870 120.300 -0.008 0.000 2.097 315 Y HA -0.252 4.279 4.550 -0.032 0.000 0.282 315 Y C 2.025 177.967 175.900 0.070 0.000 1.152 315 Y CA 2.075 60.176 58.100 0.003 0.000 1.136 315 Y CB -0.060 38.371 38.460 -0.048 0.000 0.975 315 Y HN 0.199 nan 8.280 nan 0.000 0.498 316 D N -0.025 120.442 120.400 0.112 0.000 2.117 316 D HA -0.190 4.431 4.640 -0.032 0.000 0.197 316 D C 2.088 178.377 176.300 -0.019 0.000 0.987 316 D CA 1.630 55.648 54.000 0.030 0.000 0.829 316 D CB -0.347 40.505 40.800 0.086 0.000 0.961 316 D HN 0.590 nan 8.370 nan 0.000 0.460 317 E N -0.550 119.663 120.200 0.021 0.000 2.072 317 E HA -0.158 4.173 4.350 -0.032 0.000 0.191 317 E C 2.038 178.631 176.600 -0.010 0.000 0.985 317 E CA 0.351 56.754 56.400 0.005 0.000 0.801 317 E CB -0.185 29.528 29.700 0.022 0.000 0.750 317 E HN 0.191 nan 8.360 nan 0.000 0.452 318 F N 0.779 120.661 119.950 -0.114 0.000 2.091 318 F HA -0.268 4.240 4.527 -0.032 0.000 0.299 318 F C 2.106 177.807 175.800 -0.165 0.000 1.103 318 F CA 1.493 59.415 58.000 -0.129 0.000 1.228 318 F CB -0.162 38.756 39.000 -0.136 0.000 0.984 318 F HN -0.101 nan 8.300 nan 0.000 0.477 319 V N 0.473 120.397 119.914 0.016 0.000 2.343 319 V HA -0.333 3.768 4.120 -0.032 0.000 0.247 319 V C 2.397 178.437 176.094 -0.090 0.000 1.051 319 V CA 2.226 64.481 62.300 -0.075 0.000 1.036 319 V CB -0.877 30.803 31.823 -0.237 0.000 0.654 319 V HN 0.477 nan 8.190 nan 0.000 0.451 320 Q N 0.064 119.809 119.800 -0.092 0.000 2.061 320 Q HA -0.248 4.073 4.340 -0.032 0.000 0.204 320 Q C 2.449 178.378 176.000 -0.118 0.000 0.984 320 Q CA 1.640 57.392 55.803 -0.086 0.000 0.846 320 Q CB -0.061 28.637 28.738 -0.066 0.000 0.902 320 Q HN 0.490 nan 8.270 nan 0.000 0.421 321 R N -0.152 120.247 120.500 -0.169 0.000 2.115 321 R HA 0.011 4.332 4.340 -0.032 0.000 0.226 321 R C 2.338 178.492 176.300 -0.243 0.000 1.100 321 R CA 1.131 57.099 56.100 -0.221 0.000 0.980 321 R CB -0.350 29.773 30.300 -0.295 0.000 0.875 321 R HN 0.232 nan 8.270 nan 0.000 0.445 322 S N 0.636 116.193 115.700 -0.238 0.000 2.371 322 S HA -0.044 4.407 4.470 -0.032 0.000 0.224 322 S C 2.205 176.766 174.600 -0.066 0.000 1.029 322 S CA 0.871 58.986 58.200 -0.142 0.000 0.978 322 S CB -0.134 63.048 63.200 -0.031 0.000 0.833 322 S HN 0.013 nan 8.310 nan 0.000 0.466 323 V N 1.942 121.814 119.914 -0.070 0.000 2.270 323 V HA -0.169 3.932 4.120 -0.032 0.000 0.245 323 V C 2.506 178.545 176.094 -0.091 0.000 1.043 323 V CA 1.815 64.077 62.300 -0.063 0.000 1.014 323 V CB -0.589 31.196 31.823 -0.062 0.000 0.645 323 V HN 0.501 nan 8.190 nan 0.000 0.447 324 E N 0.146 120.281 120.200 -0.108 0.000 2.097 324 E HA -0.326 4.005 4.350 -0.032 0.000 0.196 324 E C 2.350 178.855 176.600 -0.159 0.000 1.000 324 E CA 1.703 58.031 56.400 -0.119 0.000 0.804 324 E CB -0.056 29.572 29.700 -0.120 0.000 0.740 324 E HN 0.337 nan 8.360 nan 0.000 0.454 325 R N 0.233 120.605 120.500 -0.215 0.000 2.148 325 R HA 0.004 4.325 4.340 -0.032 0.000 0.223 325 R C 1.722 177.806 176.300 -0.360 0.000 1.088 325 R CA 1.345 57.238 56.100 -0.346 0.000 0.985 325 R CB -0.424 29.593 30.300 -0.472 0.000 0.880 325 R HN 0.177 nan 8.270 nan 0.000 0.451 326 A N 0.043 122.754 122.820 -0.183 0.000 2.167 326 A HA 0.016 4.317 4.320 -0.032 0.000 0.214 326 A C 1.523 179.103 177.584 -0.007 0.000 1.151 326 A CA 0.706 52.700 52.037 -0.070 0.000 0.735 326 A CB -0.192 18.736 19.000 -0.120 0.000 0.802 326 A HN 0.285 nan 8.150 nan 0.000 0.467 327 K N -0.132 120.238 120.400 -0.050 0.000 2.486 327 K HA 0.020 4.321 4.320 -0.032 0.000 0.194 327 K C -0.058 176.546 176.600 0.006 0.000 1.033 327 K CA 0.541 56.820 56.287 -0.014 0.000 1.004 327 K CB 0.076 32.550 32.500 -0.044 0.000 0.798 327 K HN 0.265 nan 8.250 nan 0.000 0.495 328 K N 0.921 121.266 120.400 -0.090 0.000 2.559 328 K HA 0.183 4.484 4.320 -0.032 0.000 0.236 328 K C -1.295 175.052 176.600 -0.421 0.000 1.185 328 K CA -0.134 56.023 56.287 -0.217 0.000 1.157 328 K CB 0.280 32.600 32.500 -0.301 0.000 1.782 328 K HN -0.032 nan 8.250 nan 0.000 0.419 329 Y N -0.904 119.416 120.300 0.033 0.000 2.524 329 Y HA 0.419 4.950 4.550 -0.032 0.000 0.347 329 Y C -0.409 175.544 175.900 0.088 0.000 1.005 329 Y CA -1.220 56.925 58.100 0.074 0.000 1.025 329 Y CB 2.008 40.505 38.460 0.062 0.000 1.275 329 Y HN -0.185 nan 8.280 nan 0.000 0.460 330 V N 4.524 124.557 119.914 0.198 0.000 2.380 330 V HA 0.283 4.384 4.120 -0.032 0.000 0.286 330 V C -0.577 175.500 176.094 -0.028 0.000 1.015 330 V CA -0.941 61.346 62.300 -0.020 0.000 0.834 330 V CB 0.394 32.173 31.823 -0.074 0.000 1.009 330 V HN 0.588 nan 8.190 nan 0.000 0.428 331 F N 3.427 123.113 119.950 -0.440 0.000 2.380 331 F HA 0.976 5.484 4.527 -0.032 0.000 0.325 331 F C 0.607 176.115 175.800 -0.486 0.000 1.136 331 F CA 0.523 58.269 58.000 -0.423 0.000 1.171 331 F CB 1.331 39.856 39.000 -0.791 0.000 1.230 331 F HN 0.785 nan 8.300 nan 0.000 0.554 332 G N 1.554 110.094 108.800 -0.434 0.000 2.368 332 G HA2 0.004 3.945 3.960 -0.032 0.000 0.269 332 G HA3 0.004 3.945 3.960 -0.032 0.000 0.269 332 G C -1.771 173.163 174.900 0.057 0.000 1.291 332 G CA -1.118 43.703 45.100 -0.465 0.000 0.903 332 G HN 0.904 nan 8.290 nan 0.000 0.483 333 N N 1.480 120.189 118.700 0.014 0.000 2.440 333 N HA 0.190 4.911 4.740 -0.032 0.000 0.265 333 N C -1.389 174.174 175.510 0.088 0.000 1.239 333 N CA -0.807 52.296 53.050 0.088 0.000 0.909 333 N CB 1.702 40.200 38.487 0.020 0.000 1.066 333 N HN 0.036 nan 8.380 nan 0.000 0.474 334 P HA -0.047 nan 4.420 nan 0.000 0.228 334 P C 1.037 178.415 177.300 0.129 0.000 1.151 334 P CA 0.909 64.096 63.100 0.144 0.000 0.770 334 P CB 0.283 32.077 31.700 0.156 0.000 0.786 335 L N -2.461 118.796 121.223 0.057 0.000 2.446 335 L HA 0.074 4.395 4.340 -0.032 0.000 0.219 335 L C 0.749 177.585 176.870 -0.057 0.000 1.116 335 L CA 0.431 55.254 54.840 -0.029 0.000 0.844 335 L CB -0.857 41.150 42.059 -0.086 0.000 0.970 335 L HN -0.155 nan 8.230 nan 0.000 0.457 336 T N 1.902 116.440 114.554 -0.026 0.000 2.851 336 T HA 0.209 4.540 4.350 -0.032 0.000 0.298 336 T C -2.217 172.466 174.700 -0.029 0.000 0.977 336 T CA -0.915 61.155 62.100 -0.049 0.000 1.126 336 T CB 0.985 69.814 68.868 -0.066 0.000 0.916 336 T HN -0.101 nan 8.240 nan 0.000 0.529 337 P HA 0.259 nan 4.420 nan 0.000 0.268 337 P C 1.060 178.345 177.300 -0.026 0.000 1.205 337 P CA 0.497 63.585 63.100 -0.021 0.000 0.771 337 P CB 0.356 32.035 31.700 -0.036 0.000 0.858 338 G N 0.872 109.667 108.800 -0.008 0.000 2.205 338 G HA2 -0.227 3.714 3.960 -0.032 0.000 0.261 338 G HA3 -0.227 3.714 3.960 -0.032 0.000 0.261 338 G C 0.107 174.999 174.900 -0.013 0.000 0.980 338 G CA -0.056 45.031 45.100 -0.021 0.000 0.632 338 G HN 0.545 nan 8.290 nan 0.000 0.533 339 V N 2.207 122.124 119.914 0.006 0.000 2.488 339 V HA 0.462 4.563 4.120 -0.032 0.000 0.277 339 V C 0.703 176.869 176.094 0.119 0.000 1.046 339 V CA 0.390 62.712 62.300 0.037 0.000 0.986 339 V CB 1.438 33.277 31.823 0.027 0.000 0.989 339 V HN 0.615 nan 8.190 nan 0.000 0.475 340 N N 2.510 121.326 118.700 0.194 0.000 2.377 340 N HA 0.103 4.824 4.740 -0.032 0.000 0.259 340 N C -0.243 175.566 175.510 0.499 0.000 1.332 340 N CA -0.346 52.880 53.050 0.294 0.000 0.877 340 N CB 0.139 38.763 38.487 0.228 0.000 1.299 340 N HN 0.791 nan 8.380 nan 0.000 0.501 341 H N -0.476 118.776 119.070 0.303 0.000 3.239 341 H HA 0.443 4.979 4.556 -0.032 0.000 0.320 341 H C -0.472 175.090 175.328 0.390 0.000 1.074 341 H CA -0.628 55.613 56.048 0.321 0.000 1.553 341 H CB 1.108 31.087 29.762 0.362 0.000 1.752 341 H HN 0.247 nan 8.280 nan 0.000 0.513 342 G N 4.001 112.880 108.800 0.132 0.000 2.563 342 G HA2 0.320 4.261 3.960 -0.032 0.000 0.283 342 G HA3 0.320 4.261 3.960 -0.032 0.000 0.283 342 G C -2.597 172.283 174.900 -0.033 0.000 1.309 342 G CA -1.004 44.187 45.100 0.150 0.000 1.022 342 G HN 0.390 nan 8.290 nan 0.000 0.501 343 P HA 0.248 nan 4.420 nan 0.000 0.280 343 P C -0.797 176.414 177.300 -0.148 0.000 1.272 343 P CA -0.579 62.216 63.100 -0.508 0.000 0.819 343 P CB 1.135 32.255 31.700 -0.966 0.000 1.122 344 Q N 0.190 119.966 119.800 -0.041 0.000 2.471 344 Q HA 0.123 4.444 4.340 -0.032 0.000 0.223 344 Q C 1.043 177.048 176.000 0.009 0.000 1.045 344 Q CA -0.425 55.410 55.803 0.053 0.000 0.956 344 Q CB 0.190 29.002 28.738 0.124 0.000 1.249 344 Q HN 0.383 nan 8.270 nan 0.000 0.549 345 I N 0.415 120.911 120.570 -0.123 0.000 2.353 345 I HA -0.170 3.981 4.170 -0.032 0.000 0.248 345 I C 0.501 176.485 176.117 -0.222 0.000 1.119 345 I CA 1.256 62.393 61.300 -0.273 0.000 1.417 345 I CB 0.139 37.599 38.000 -0.901 0.000 1.078 345 I HN 0.821 nan 8.210 nan 0.000 0.421 346 N N -2.707 115.765 118.700 -0.380 0.000 3.179 346 N HA 0.091 4.812 4.740 -0.032 0.000 0.250 346 N C 0.181 175.101 175.510 -0.984 0.000 1.507 346 N CA -0.654 51.977 53.050 -0.699 0.000 0.883 346 N CB 1.153 39.375 38.487 -0.442 0.000 1.435 346 N HN -0.325 nan 8.380 nan 0.000 0.532 347 K N 0.465 120.163 120.400 -1.169 0.000 2.063 347 K HA 0.008 4.309 4.320 -0.032 0.000 0.208 347 K C 1.974 178.399 176.600 -0.292 0.000 1.048 347 K CA 2.175 58.034 56.287 -0.714 0.000 0.928 347 K CB -0.742 31.475 32.500 -0.471 0.000 0.713 347 K HN 0.600 nan 8.250 nan 0.000 0.442 348 A N 0.397 123.070 122.820 -0.246 0.000 1.940 348 A HA -0.205 4.096 4.320 -0.032 0.000 0.219 348 A C 2.048 179.592 177.584 -0.067 0.000 1.176 348 A CA 1.588 53.553 52.037 -0.120 0.000 0.631 348 A CB -0.461 18.480 19.000 -0.099 0.000 0.814 348 A HN 0.366 nan 8.150 nan 0.000 0.446 349 Q N -1.420 118.325 119.800 -0.092 0.000 2.096 349 Q HA -0.118 4.203 4.340 -0.032 0.000 0.197 349 Q C 1.942 177.965 176.000 0.038 0.000 0.964 349 Q CA 1.708 57.513 55.803 0.004 0.000 0.838 349 Q CB -0.568 28.173 28.738 0.005 0.000 0.906 349 Q HN 0.955 nan 8.270 nan 0.000 0.444 350 H N 1.539 120.551 119.070 -0.097 0.000 2.319 350 H HA -0.106 4.431 4.556 -0.032 0.000 0.297 350 H C 1.568 176.892 175.328 -0.007 0.000 1.097 350 H CA 2.063 58.089 56.048 -0.037 0.000 1.285 350 H CB 0.282 30.005 29.762 -0.066 0.000 1.368 350 H HN 0.150 nan 8.280 nan 0.000 0.495 351 N N 0.259 118.997 118.700 0.062 0.000 2.216 351 N HA -0.094 4.627 4.740 -0.032 0.000 0.183 351 N C 1.777 177.286 175.510 -0.001 0.000 1.017 351 N CA 0.878 53.945 53.050 0.028 0.000 0.861 351 N CB -0.214 38.297 38.487 0.039 0.000 0.986 351 N HN 0.354 nan 8.380 nan 0.000 0.428 352 K N 0.757 121.163 120.400 0.010 0.000 2.044 352 K HA -0.017 4.284 4.320 -0.032 0.000 0.210 352 K C 1.885 178.497 176.600 0.020 0.000 1.049 352 K CA 1.076 57.377 56.287 0.024 0.000 0.927 352 K CB -0.130 32.399 32.500 0.049 0.000 0.713 352 K HN 0.119 nan 8.250 nan 0.000 0.443 353 I N 0.181 120.757 120.570 0.009 0.000 2.394 353 I HA -0.242 3.909 4.170 -0.032 0.000 0.251 353 I C 2.073 178.172 176.117 -0.031 0.000 1.136 353 I CA 0.675 61.977 61.300 0.003 0.000 1.425 353 I CB -0.097 37.900 38.000 -0.004 0.000 1.079 353 I HN 0.201 nan 8.210 nan 0.000 0.425 354 M N -0.062 119.487 119.600 -0.084 0.000 2.288 354 M HA -0.133 4.328 4.480 -0.032 0.000 0.266 354 M C 2.204 178.496 176.300 -0.014 0.000 1.072 354 M CA 1.385 56.641 55.300 -0.072 0.000 1.132 354 M CB -1.080 31.456 32.600 -0.107 0.000 1.386 354 M HN 0.283 nan 8.290 nan 0.000 0.432 355 E N 0.631 120.827 120.200 -0.007 0.000 2.051 355 E HA -0.180 4.151 4.350 -0.032 0.000 0.192 355 E C 2.071 178.673 176.600 0.003 0.000 0.991 355 E CA 1.094 57.495 56.400 0.003 0.000 0.799 355 E CB 0.012 29.715 29.700 0.006 0.000 0.748 355 E HN 0.427 nan 8.360 nan 0.000 0.449 356 L N 0.545 121.772 121.223 0.007 0.000 2.141 356 L HA -0.143 4.178 4.340 -0.032 0.000 0.209 356 L C 2.485 179.356 176.870 0.000 0.000 1.094 356 L CA 0.635 55.474 54.840 -0.001 0.000 0.763 356 L CB -0.194 41.874 42.059 0.014 0.000 0.908 356 L HN 0.232 nan 8.230 nan 0.000 0.437 357 I N -0.313 120.291 120.570 0.057 0.000 2.179 357 I HA -0.274 3.877 4.170 -0.032 0.000 0.242 357 I C 2.597 178.790 176.117 0.127 0.000 1.088 357 I CA 1.123 62.522 61.300 0.165 0.000 1.357 357 I CB -0.141 37.957 38.000 0.162 0.000 1.051 357 I HN 0.237 nan 8.210 nan 0.000 0.409 358 E N 0.967 121.204 120.200 0.061 0.000 2.153 358 E HA -0.218 4.113 4.350 -0.032 0.000 0.194 358 E C 2.213 178.812 176.600 -0.001 0.000 0.988 358 E CA 1.705 58.130 56.400 0.041 0.000 0.811 358 E CB -0.211 29.504 29.700 0.024 0.000 0.746 358 E HN 0.473 nan 8.360 nan 0.000 0.466 359 S N -0.989 114.690 115.700 -0.034 0.000 2.383 359 S HA -0.052 4.399 4.470 -0.032 0.000 0.227 359 S C 2.250 176.768 174.600 -0.136 0.000 1.026 359 S CA 1.182 59.342 58.200 -0.067 0.000 0.981 359 S CB -0.858 62.305 63.200 -0.061 0.000 0.818 359 S HN 0.338 nan 8.310 nan 0.000 0.472 360 G N 1.644 110.290 108.800 -0.258 0.000 2.418 360 G HA2 -0.144 3.797 3.960 -0.032 0.000 0.217 360 G HA3 -0.144 3.797 3.960 -0.032 0.000 0.217 360 G C 1.577 176.303 174.900 -0.290 0.000 1.158 360 G CA 0.808 45.588 45.100 -0.532 0.000 0.771 360 G HN 0.599 nan 8.290 nan 0.000 0.545 361 K N 0.141 120.506 120.400 -0.058 0.000 2.057 361 K HA -0.012 4.289 4.320 -0.032 0.000 0.206 361 K C 2.474 179.080 176.600 0.010 0.000 1.050 361 K CA 1.146 57.473 56.287 0.066 0.000 0.935 361 K CB -0.123 32.445 32.500 0.113 0.000 0.715 361 K HN 0.175 nan 8.250 nan 0.000 0.439 362 K N 1.303 121.695 120.400 -0.015 0.000 2.057 362 K HA -0.139 4.162 4.320 -0.032 0.000 0.206 362 K C 1.633 178.217 176.600 -0.027 0.000 1.050 362 K CA 1.377 57.655 56.287 -0.015 0.000 0.935 362 K CB 0.167 32.657 32.500 -0.016 0.000 0.715 362 K HN 0.146 nan 8.250 nan 0.000 0.439 363 E N -1.407 118.761 120.200 -0.054 0.000 2.482 363 E HA -0.005 4.326 4.350 -0.032 0.000 0.196 363 E C 0.668 177.241 176.600 -0.045 0.000 1.047 363 E CA 0.488 56.855 56.400 -0.055 0.000 0.869 363 E CB 0.481 30.134 29.700 -0.078 0.000 0.836 363 E HN 0.563 nan 8.360 nan 0.000 0.520 364 G N 0.781 109.560 108.800 -0.036 0.000 2.184 364 G HA2 -0.229 3.712 3.960 -0.032 0.000 0.206 364 G HA3 -0.229 3.712 3.960 -0.032 0.000 0.206 364 G C 0.370 175.274 174.900 0.008 0.000 0.995 364 G CA -0.177 44.919 45.100 -0.007 0.000 0.651 364 G HN 0.434 nan 8.290 nan 0.000 0.511 365 A N 0.138 122.945 122.820 -0.023 0.000 2.466 365 A HA 0.546 4.847 4.320 -0.032 0.000 0.238 365 A C 0.665 178.350 177.584 0.168 0.000 1.074 365 A CA 1.013 53.075 52.037 0.041 0.000 0.774 365 A CB 0.307 19.258 19.000 -0.082 0.000 1.015 365 A HN 0.697 nan 8.150 nan 0.000 0.498 366 K N 1.579 122.099 120.400 0.200 0.000 2.276 366 K HA 0.352 4.653 4.320 -0.032 0.000 0.285 366 K C -0.739 175.995 176.600 0.223 0.000 1.062 366 K CA -0.462 55.931 56.287 0.178 0.000 0.918 366 K CB 0.343 32.914 32.500 0.119 0.000 1.055 366 K HN 0.558 nan 8.250 nan 0.000 0.477 367 L N 5.381 126.693 121.223 0.148 0.000 2.369 367 L HA 0.076 4.397 4.340 -0.032 0.000 0.279 367 L C 0.797 177.613 176.870 -0.090 0.000 1.108 367 L CA 0.629 55.429 54.840 -0.065 0.000 0.852 367 L CB 0.657 42.681 42.059 -0.058 0.000 1.169 367 L HN 0.780 nan 8.230 nan 0.000 0.452 368 E N 3.822 123.934 120.200 -0.147 0.000 2.099 368 E HA 0.087 4.418 4.350 -0.032 0.000 0.191 368 E C 0.293 176.821 176.600 -0.119 0.000 0.962 368 E CA 0.946 57.288 56.400 -0.096 0.000 0.826 368 E CB 0.256 29.914 29.700 -0.071 0.000 0.788 368 E HN 0.765 nan 8.360 nan 0.000 0.461 369 C N -2.316 116.879 119.300 -0.175 0.000 3.318 369 C HA 0.827 5.268 4.460 -0.032 0.000 0.322 369 C C 1.074 175.924 174.990 -0.234 0.000 1.398 369 C CA -0.269 58.647 59.018 -0.171 0.000 1.339 369 C CB 1.094 28.752 27.740 -0.137 0.000 1.668 369 C HN 0.618 nan 8.230 nan 0.000 0.462 370 G N 0.522 109.181 108.800 -0.235 0.000 2.564 370 G HA2 0.331 4.272 3.960 -0.032 0.000 0.273 370 G HA3 0.331 4.272 3.960 -0.032 0.000 0.273 370 G C 1.063 175.813 174.900 -0.249 0.000 1.242 370 G CA 1.893 46.820 45.100 -0.287 0.000 0.951 370 G HN 3.275 nan 8.290 nan 0.000 0.564 371 G N -2.159 106.501 108.800 -0.234 0.000 2.168 371 G HA2 0.478 4.419 3.960 -0.032 0.000 0.197 371 G HA3 0.478 4.419 3.960 -0.032 0.000 0.197 371 G C 1.262 176.101 174.900 -0.102 0.000 0.997 371 G CA 0.889 45.896 45.100 -0.155 0.000 0.658 371 G HN 2.560 nan 8.290 nan 0.000 0.513 372 G N -0.697 108.016 108.800 -0.146 0.000 2.766 372 G HA2 0.864 4.805 3.960 -0.032 0.000 0.288 372 G HA3 0.864 4.805 3.960 -0.032 0.000 0.288 372 G C -3.029 171.806 174.900 -0.109 0.000 1.408 372 G CA -0.603 44.436 45.100 -0.101 0.000 0.852 372 G HN 0.223 nan 8.290 nan 0.000 0.487 373 P HA 0.251 nan 4.420 nan 0.000 0.276 373 P C -1.159 176.165 177.300 0.040 0.000 1.252 373 P CA -0.354 62.810 63.100 0.106 0.000 0.802 373 P CB 1.407 33.247 31.700 0.234 0.000 1.035 374 W N 0.419 121.677 121.300 -0.070 0.000 2.632 374 W HA 0.492 5.132 4.660 -0.032 0.000 0.328 374 W C 0.520 176.857 176.519 -0.304 0.000 1.044 374 W CA 0.763 57.868 57.345 -0.401 0.000 1.225 374 W CB 1.227 30.073 29.460 -1.025 0.000 1.396 374 W HN 0.879 nan 8.180 nan 0.000 0.499 375 G N 2.732 111.583 108.800 0.084 0.000 2.796 375 G HA2 -0.295 3.646 3.960 -0.032 0.000 0.226 375 G HA3 -0.295 3.646 3.960 -0.032 0.000 0.226 375 G C 0.261 175.255 174.900 0.157 0.000 1.381 375 G CA 0.175 45.378 45.100 0.173 0.000 0.867 375 G HN 0.890 nan 8.290 nan 0.000 0.552 376 N N -1.459 117.325 118.700 0.139 0.000 2.160 376 N HA 0.238 4.959 4.740 -0.032 0.000 0.226 376 N C 0.008 175.559 175.510 0.067 0.000 1.256 376 N CA -0.457 52.649 53.050 0.094 0.000 0.890 376 N CB 0.838 39.368 38.487 0.072 0.000 1.116 376 N HN 0.386 nan 8.380 nan 0.000 0.517 377 K N 1.229 121.685 120.400 0.094 0.000 2.422 377 K HA 0.494 4.795 4.320 -0.032 0.000 0.251 377 K C -0.054 176.597 176.600 0.084 0.000 0.933 377 K CA -0.127 56.181 56.287 0.033 0.000 0.798 377 K CB 2.322 34.836 32.500 0.024 0.000 1.238 377 K HN 0.269 nan 8.250 nan 0.000 0.428 378 G N 1.534 110.204 108.800 -0.216 0.000 2.712 378 G HA2 -0.239 3.702 3.960 -0.032 0.000 0.686 378 G HA3 -0.239 3.702 3.960 -0.032 0.000 0.686 378 G C -1.112 173.468 174.900 -0.533 0.000 1.321 378 G CA -0.773 44.034 45.100 -0.488 0.000 0.813 378 G HN 0.431 nan 8.290 nan 0.000 0.599 379 Y N 0.244 120.306 120.300 -0.396 0.000 2.880 379 Y HA 0.538 5.069 4.550 -0.032 0.000 0.386 379 Y C 0.847 176.644 175.900 -0.173 0.000 1.172 379 Y CA -1.304 56.597 58.100 -0.332 0.000 1.770 379 Y CB -0.450 37.858 38.460 -0.255 0.000 1.809 379 Y HN 0.387 nan 8.280 nan 0.000 0.472 380 F N 1.399 121.451 119.950 0.169 0.000 2.385 380 F HA 0.535 5.043 4.527 -0.032 0.000 0.336 380 F C 0.366 176.332 175.800 0.277 0.000 1.100 380 F CA -0.827 57.284 58.000 0.185 0.000 1.116 380 F CB 0.930 39.964 39.000 0.057 0.000 1.166 380 F HN -0.039 nan 8.300 nan 0.000 0.511 381 I N 2.093 122.919 120.570 0.426 0.000 2.582 381 I HA 0.233 4.384 4.170 -0.032 0.000 0.292 381 I C -0.740 175.474 176.117 0.161 0.000 1.066 381 I CA -1.034 60.398 61.300 0.220 0.000 1.053 381 I CB 2.085 40.149 38.000 0.106 0.000 1.241 381 I HN 0.528 nan 8.210 nan 0.000 0.421 382 Q N 6.260 125.907 119.800 -0.255 0.000 2.330 382 Q HA 0.162 4.483 4.340 -0.032 0.000 0.279 382 Q C -2.207 173.597 176.000 -0.327 0.000 1.024 382 Q CA -1.490 53.897 55.803 -0.693 0.000 0.900 382 Q CB 0.113 28.315 28.738 -0.893 0.000 1.221 382 Q HN 0.274 nan 8.270 nan 0.000 0.396 383 P HA -0.077 nan 4.420 nan 0.000 0.261 383 P C -0.871 176.335 177.300 -0.157 0.000 1.183 383 P CA 0.372 63.325 63.100 -0.244 0.000 0.761 383 P CB 0.606 31.909 31.700 -0.661 0.000 0.785 384 T N 2.546 117.127 114.554 0.045 0.000 2.861 384 T HA 0.448 4.779 4.350 -0.032 0.000 0.287 384 T C -0.494 174.174 174.700 -0.052 0.000 1.003 384 T CA -0.447 61.588 62.100 -0.109 0.000 0.977 384 T CB 1.365 70.141 68.868 -0.152 0.000 0.996 384 T HN 0.060 nan 8.240 nan 0.000 0.448 385 V N 3.657 123.437 119.914 -0.223 0.000 2.577 385 V HA 0.567 4.668 4.120 -0.032 0.000 0.303 385 V C -1.253 174.652 176.094 -0.314 0.000 1.042 385 V CA -0.875 61.350 62.300 -0.126 0.000 0.872 385 V CB 1.358 33.178 31.823 -0.005 0.000 0.998 385 V HN 0.791 nan 8.190 nan 0.000 0.423 386 F N 2.864 122.828 119.950 0.024 0.000 2.443 386 F HA 0.734 5.242 4.527 -0.032 0.000 0.335 386 F C 0.704 176.521 175.800 0.028 0.000 1.104 386 F CA -0.231 57.779 58.000 0.016 0.000 1.013 386 F CB 2.257 41.258 39.000 0.002 0.000 1.136 386 F HN 0.571 nan 8.300 nan 0.000 0.470 387 S N 1.386 117.228 115.700 0.237 0.000 2.751 387 S HA 0.477 4.928 4.470 -0.032 0.000 0.310 387 S C -0.305 174.423 174.600 0.214 0.000 1.128 387 S CA -0.888 57.435 58.200 0.205 0.000 0.931 387 S CB 1.329 64.615 63.200 0.143 0.000 1.177 387 S HN 0.630 nan 8.310 nan 0.000 0.530 388 N N -0.696 118.156 118.700 0.254 0.000 2.710 388 N HA -0.116 4.605 4.740 -0.032 0.000 0.249 388 N C -0.565 174.988 175.510 0.072 0.000 1.059 388 N CA 0.753 53.884 53.050 0.135 0.000 0.720 388 N CB -2.089 36.457 38.487 0.099 0.000 0.983 388 N HN 0.561 nan 8.380 nan 0.000 0.544 389 V N 0.232 120.189 119.914 0.071 0.000 2.583 389 V HA 0.400 4.501 4.120 -0.032 0.000 0.287 389 V C 1.245 177.330 176.094 -0.016 0.000 1.051 389 V CA 0.013 62.315 62.300 0.002 0.000 1.010 389 V CB 1.486 33.297 31.823 -0.020 0.000 0.988 389 V HN 0.483 nan 8.190 nan 0.000 0.478 390 T N -0.207 114.332 114.554 -0.026 0.000 2.940 390 T HA 0.368 4.699 4.350 -0.032 0.000 0.288 390 T C 0.477 175.171 174.700 -0.011 0.000 1.045 390 T CA -0.765 61.329 62.100 -0.010 0.000 1.018 390 T CB 1.656 70.519 68.868 -0.009 0.000 1.151 390 T HN 0.472 nan 8.240 nan 0.000 0.529 391 D N 0.556 120.965 120.400 0.016 0.000 2.264 391 D HA -0.031 4.590 4.640 -0.032 0.000 0.208 391 D C 1.472 177.773 176.300 0.002 0.000 0.966 391 D CA 1.356 55.371 54.000 0.025 0.000 0.864 391 D CB -0.265 40.563 40.800 0.048 0.000 0.933 391 D HN 0.853 nan 8.370 nan 0.000 0.499 392 D N -0.897 119.497 120.400 -0.009 0.000 2.323 392 D HA -0.054 4.567 4.640 -0.032 0.000 0.209 392 D C 0.775 177.059 176.300 -0.026 0.000 0.973 392 D CA 0.187 54.178 54.000 -0.015 0.000 0.874 392 D CB -0.220 40.572 40.800 -0.015 0.000 0.930 392 D HN 0.116 nan 8.370 nan 0.000 0.521 393 M N 0.358 119.935 119.600 -0.039 0.000 2.240 393 M HA 0.270 4.731 4.480 -0.032 0.000 0.333 393 M C 1.258 177.524 176.300 -0.057 0.000 1.110 393 M CA -0.307 54.956 55.300 -0.062 0.000 1.173 393 M CB 1.177 33.719 32.600 -0.097 0.000 1.458 393 M HN -0.198 nan 8.290 nan 0.000 0.458 394 R N 1.107 121.569 120.500 -0.063 0.000 2.115 394 R HA -0.107 4.214 4.340 -0.032 0.000 0.230 394 R C 1.924 178.195 176.300 -0.049 0.000 1.111 394 R CA 1.466 57.540 56.100 -0.043 0.000 0.976 394 R CB -0.611 29.666 30.300 -0.039 0.000 0.870 394 R HN 0.751 nan 8.270 nan 0.000 0.445 395 I N -2.414 118.096 120.570 -0.101 0.000 2.614 395 I HA -0.038 4.113 4.170 -0.032 0.000 0.258 395 I C 2.040 178.119 176.117 -0.064 0.000 1.189 395 I CA 1.417 62.656 61.300 -0.102 0.000 1.462 395 I CB -0.321 37.553 38.000 -0.212 0.000 1.092 395 I HN -0.054 nan 8.210 nan 0.000 0.442 396 A N 1.045 123.828 122.820 -0.063 0.000 2.123 396 A HA 0.062 4.363 4.320 -0.032 0.000 0.214 396 A C 2.171 179.758 177.584 0.004 0.000 1.152 396 A CA 0.783 52.792 52.037 -0.047 0.000 0.728 396 A CB -0.142 18.826 19.000 -0.053 0.000 0.814 396 A HN 0.439 nan 8.150 nan 0.000 0.464 397 K N -0.168 120.245 120.400 0.020 0.000 2.225 397 K HA 0.169 4.470 4.320 -0.032 0.000 0.204 397 K C 0.185 176.859 176.600 0.123 0.000 1.047 397 K CA 0.390 56.713 56.287 0.060 0.000 0.970 397 K CB 0.227 32.746 32.500 0.033 0.000 0.939 397 K HN 0.418 nan 8.250 nan 0.000 0.472 398 E N 1.587 121.845 120.200 0.095 0.000 2.313 398 E HA 0.059 4.390 4.350 -0.032 0.000 0.272 398 E C -0.857 175.813 176.600 0.117 0.000 1.038 398 E CA -0.260 56.219 56.400 0.132 0.000 0.863 398 E CB 1.247 30.997 29.700 0.083 0.000 1.060 398 E HN 0.081 nan 8.360 nan 0.000 0.402 399 E N 2.610 122.888 120.200 0.130 0.000 2.324 399 E HA 0.018 4.349 4.350 -0.032 0.000 0.271 399 E C 0.152 176.813 176.600 0.102 0.000 1.028 399 E CA 0.017 56.460 56.400 0.071 0.000 0.890 399 E CB 0.532 30.223 29.700 -0.017 0.000 1.004 399 E HN 0.523 nan 8.360 nan 0.000 0.431 400 I N 4.136 124.777 120.570 0.118 0.000 2.927 400 I HA 0.002 4.153 4.170 -0.032 0.000 0.268 400 I C 0.376 176.640 176.117 0.245 0.000 1.153 400 I CA -0.094 61.285 61.300 0.132 0.000 1.459 400 I CB 0.205 38.251 38.000 0.077 0.000 1.149 400 I HN 0.674 nan 8.210 nan 0.000 0.443 401 F N 1.950 121.907 119.950 0.012 0.000 3.074 401 F HA -0.179 4.329 4.527 -0.032 0.000 0.287 401 F C 0.370 176.216 175.800 0.078 0.000 0.932 401 F CA 0.624 58.649 58.000 0.041 0.000 0.995 401 F CB -1.245 37.803 39.000 0.080 0.000 0.966 401 F HN 0.160 nan 8.300 nan 0.000 0.721 402 G N -0.434 108.388 108.800 0.037 0.000 2.682 402 G HA2 0.631 4.572 3.960 -0.032 0.000 0.290 402 G HA3 0.631 4.572 3.960 -0.032 0.000 0.290 402 G C -3.157 171.737 174.900 -0.010 0.000 1.425 402 G CA -0.816 44.309 45.100 0.042 0.000 0.807 402 G HN -0.143 nan 8.290 nan 0.000 0.482 403 P HA 0.347 nan 4.420 nan 0.000 0.237 403 P C -0.727 176.623 177.300 0.083 0.000 1.788 403 P CA -0.146 63.028 63.100 0.122 0.000 1.061 403 P CB 0.407 32.325 31.700 0.365 0.000 1.967 404 V N 2.466 122.302 119.914 -0.129 0.000 2.569 404 V HA 0.321 4.422 4.120 -0.032 0.000 0.301 404 V C -0.082 175.910 176.094 -0.169 0.000 1.044 404 V CA -0.588 61.683 62.300 -0.048 0.000 0.874 404 V CB 2.294 34.164 31.823 0.079 0.000 1.002 404 V HN 0.254 nan 8.190 nan 0.000 0.424 405 Q N 3.131 122.857 119.800 -0.123 0.000 2.307 405 Q HA 0.626 4.947 4.340 -0.032 0.000 0.262 405 Q C -1.155 174.872 176.000 0.044 0.000 0.961 405 Q CA -0.746 54.984 55.803 -0.120 0.000 0.882 405 Q CB 1.867 30.553 28.738 -0.085 0.000 1.264 405 Q HN 0.718 nan 8.270 nan 0.000 0.446 406 Q N 3.211 123.014 119.800 0.006 0.000 2.293 406 Q HA 0.544 4.865 4.340 -0.032 0.000 0.261 406 Q C -1.063 174.924 176.000 -0.021 0.000 0.960 406 Q CA -0.015 55.805 55.803 0.030 0.000 0.882 406 Q CB 1.915 30.629 28.738 -0.040 0.000 1.275 406 Q HN 0.604 nan 8.270 nan 0.000 0.445 407 I N 3.270 123.863 120.570 0.037 0.000 2.411 407 I HA 0.417 4.568 4.170 -0.032 0.000 0.284 407 I C -0.761 175.445 176.117 0.149 0.000 1.012 407 I CA -0.468 60.854 61.300 0.037 0.000 1.119 407 I CB 1.076 39.097 38.000 0.036 0.000 1.261 407 I HN 0.443 nan 8.210 nan 0.000 0.448 408 M N 5.232 124.882 119.600 0.082 0.000 2.578 408 M HA 0.488 4.949 4.480 -0.032 0.000 0.321 408 M C -0.394 176.005 176.300 0.164 0.000 1.182 408 M CA -0.588 54.760 55.300 0.081 0.000 0.965 408 M CB 2.141 34.664 32.600 -0.128 0.000 1.694 408 M HN 0.316 nan 8.290 nan 0.000 0.461 409 K N 1.582 121.930 120.400 -0.087 0.000 2.143 409 K HA 0.648 4.949 4.320 -0.032 0.000 0.272 409 K C -1.321 175.329 176.600 0.083 0.000 1.001 409 K CA -0.297 55.833 56.287 -0.262 0.000 0.915 409 K CB 1.085 33.233 32.500 -0.586 0.000 1.047 409 K HN 0.583 nan 8.250 nan 0.000 0.458 410 F N 0.595 120.521 119.950 -0.040 0.000 2.629 410 F HA 0.479 4.987 4.527 -0.032 0.000 0.316 410 F C 0.437 176.212 175.800 -0.043 0.000 1.081 410 F CA -0.867 57.117 58.000 -0.027 0.000 0.954 410 F CB 1.080 40.064 39.000 -0.027 0.000 1.337 410 F HN 0.365 nan 8.300 nan 0.000 0.474 411 K N 0.318 120.785 120.400 0.111 0.000 2.443 411 K HA 0.257 4.558 4.320 -0.032 0.000 0.200 411 K C -0.072 176.610 176.600 0.137 0.000 1.278 411 K CA 0.729 57.020 56.287 0.005 0.000 0.925 411 K CB 0.414 32.918 32.500 0.007 0.000 1.225 411 K HN 0.673 nan 8.250 nan 0.000 0.514 412 S N 0.348 116.205 115.700 0.261 0.000 2.542 412 S HA 0.374 4.825 4.470 -0.032 0.000 0.293 412 S C 0.847 175.610 174.600 0.271 0.000 1.089 412 S CA -0.932 57.408 58.200 0.233 0.000 0.961 412 S CB 2.367 65.638 63.200 0.118 0.000 1.062 412 S HN 0.202 nan 8.310 nan 0.000 0.483 413 L N 1.483 122.869 121.223 0.271 0.000 1.989 413 L HA -0.099 4.222 4.340 -0.032 0.000 0.211 413 L C 1.701 178.608 176.870 0.062 0.000 1.071 413 L CA 2.188 57.170 54.840 0.238 0.000 0.749 413 L CB -0.551 41.641 42.059 0.222 0.000 0.890 413 L HN 0.844 nan 8.230 nan 0.000 0.431 414 D N -0.729 119.697 120.400 0.042 0.000 2.178 414 D HA -0.234 4.387 4.640 -0.032 0.000 0.201 414 D C 2.054 178.328 176.300 -0.043 0.000 0.980 414 D CA 1.262 55.259 54.000 -0.005 0.000 0.842 414 D CB -0.015 40.787 40.800 0.003 0.000 0.948 414 D HN 0.475 nan 8.370 nan 0.000 0.472 415 E N 0.509 120.690 120.200 -0.032 0.000 2.028 415 E HA -0.140 4.191 4.350 -0.032 0.000 0.191 415 E C 2.135 178.627 176.600 -0.180 0.000 0.988 415 E CA 0.689 57.051 56.400 -0.063 0.000 0.799 415 E CB -0.249 29.452 29.700 0.001 0.000 0.755 415 E HN 0.120 nan 8.360 nan 0.000 0.447 416 V N 1.199 120.939 119.914 -0.290 0.000 2.469 416 V HA -0.232 3.869 4.120 -0.032 0.000 0.251 416 V C 2.356 178.091 176.094 -0.599 0.000 1.064 416 V CA 1.454 63.357 62.300 -0.662 0.000 1.066 416 V CB -0.319 30.747 31.823 -1.261 0.000 0.667 416 V HN 0.300 nan 8.190 nan 0.000 0.461 417 I N -0.627 119.736 120.570 -0.346 0.000 2.163 417 I HA -0.247 3.904 4.170 -0.032 0.000 0.240 417 I C 2.565 178.553 176.117 -0.214 0.000 1.081 417 I CA 1.804 62.957 61.300 -0.245 0.000 1.353 417 I CB -0.385 37.536 38.000 -0.132 0.000 1.054 417 I HN 0.234 nan 8.210 nan 0.000 0.407 418 K N 0.478 120.775 120.400 -0.171 0.000 2.044 418 K HA -0.218 4.083 4.320 -0.032 0.000 0.210 418 K C 2.265 178.773 176.600 -0.154 0.000 1.049 418 K CA 1.655 57.863 56.287 -0.131 0.000 0.927 418 K CB -0.160 32.282 32.500 -0.097 0.000 0.713 418 K HN 0.238 nan 8.250 nan 0.000 0.443 419 R N -0.077 120.292 120.500 -0.218 0.000 2.081 419 R HA -0.090 4.231 4.340 -0.032 0.000 0.235 419 R C 2.335 178.519 176.300 -0.193 0.000 1.131 419 R CA 1.327 57.305 56.100 -0.203 0.000 0.960 419 R CB -0.292 29.843 30.300 -0.276 0.000 0.856 419 R HN 0.197 nan 8.270 nan 0.000 0.436 420 A N 1.160 123.756 122.820 -0.373 0.000 2.014 420 A HA -0.092 4.209 4.320 -0.032 0.000 0.218 420 A C 1.424 178.961 177.584 -0.077 0.000 1.163 420 A CA 1.178 53.104 52.037 -0.185 0.000 0.652 420 A CB -0.170 18.656 19.000 -0.291 0.000 0.808 420 A HN 0.214 nan 8.150 nan 0.000 0.449 421 N N 0.400 119.033 118.700 -0.111 0.000 2.398 421 N HA -0.026 4.695 4.740 -0.032 0.000 0.188 421 N C 0.145 175.612 175.510 -0.070 0.000 1.122 421 N CA 0.143 53.147 53.050 -0.076 0.000 0.866 421 N CB -0.223 38.216 38.487 -0.080 0.000 0.970 421 N HN 0.461 nan 8.380 nan 0.000 0.462 422 N N 1.076 119.729 118.700 -0.078 0.000 2.767 422 N HA 0.059 4.780 4.740 -0.032 0.000 0.238 422 N C -1.212 174.222 175.510 -0.127 0.000 1.083 422 N CA 0.426 53.412 53.050 -0.107 0.000 0.964 422 N CB 0.233 38.665 38.487 -0.091 0.000 1.252 422 N HN -0.042 nan 8.380 nan 0.000 0.512 423 T N 1.782 116.223 114.554 -0.189 0.000 3.230 423 T HA 0.118 4.449 4.350 -0.032 0.000 0.390 423 T C -0.134 174.448 174.700 -0.196 0.000 1.761 423 T CA -0.485 61.508 62.100 -0.180 0.000 1.129 423 T CB -0.022 68.850 68.868 0.006 0.000 1.583 423 T HN 0.286 nan 8.240 nan 0.000 0.480 424 Y N 1.700 121.921 120.300 -0.132 0.000 2.561 424 Y HA 0.216 4.746 4.550 -0.032 0.000 0.291 424 Y C 0.590 176.430 175.900 -0.100 0.000 1.141 424 Y CA -0.179 57.830 58.100 -0.152 0.000 1.303 424 Y CB 0.258 38.571 38.460 -0.245 0.000 1.015 424 Y HN 0.536 nan 8.280 nan 0.000 0.547 425 Y N 0.156 120.547 120.300 0.152 0.000 2.334 425 Y HA 0.512 5.044 4.550 -0.032 0.000 0.325 425 Y C 0.970 176.919 175.900 0.082 0.000 1.308 425 Y CA -1.339 56.825 58.100 0.107 0.000 1.389 425 Y CB 1.091 39.599 38.460 0.079 0.000 1.328 425 Y HN -0.081 nan 8.280 nan 0.000 0.532 426 G N 0.935 109.893 108.800 0.263 0.000 0.000 426 G HA2 0.148 4.089 3.960 -0.032 0.000 0.000 426 G HA3 0.148 4.089 3.960 -0.032 0.000 0.000 426 G C -0.250 174.687 174.900 0.063 0.000 0.000 426 G CA -0.285 44.889 45.100 0.123 0.000 0.000 426 G HN 0.572 nan 8.290 nan 0.000 0.000 427 L N -0.062 121.173 121.223 0.020 0.000 2.200 427 L HA 0.650 4.971 4.340 -0.032 0.000 0.200 427 L C 0.449 177.229 176.870 -0.149 0.000 1.072 427 L CA 1.143 55.965 54.840 -0.029 0.000 0.787 427 L CB 0.575 42.615 42.059 -0.032 0.000 0.957 427 L HN 0.121 nan 8.230 nan 0.000 0.459 428 V N -0.562 119.250 119.914 -0.170 0.000 2.971 428 V HA 0.839 4.940 4.120 -0.032 0.000 0.309 428 V C -0.886 175.104 176.094 -0.173 0.000 1.130 428 V CA -0.191 61.923 62.300 -0.310 0.000 0.964 428 V CB 1.676 33.265 31.823 -0.389 0.000 1.029 428 V HN 0.272 nan 8.190 nan 0.000 0.427 429 A N 1.806 124.494 122.820 -0.219 0.000 2.566 429 A HA 1.017 5.318 4.320 -0.032 0.000 0.292 429 A C -0.361 177.272 177.584 0.083 0.000 1.112 429 A CA -0.145 51.881 52.037 -0.019 0.000 0.707 429 A CB 2.146 21.104 19.000 -0.070 0.000 1.302 429 A HN 1.409 nan 8.150 nan 0.000 0.409 430 G N -0.803 108.165 108.800 0.280 0.000 2.524 430 G HA2 0.639 4.580 3.960 -0.032 0.000 0.310 430 G HA3 0.639 4.580 3.960 -0.032 0.000 0.310 430 G C -1.584 173.461 174.900 0.242 0.000 1.279 430 G CA -0.590 44.729 45.100 0.366 0.000 0.974 430 G HN 1.252 nan 8.290 nan 0.000 0.484 431 V N 0.897 120.844 119.914 0.054 0.000 2.668 431 V HA 0.522 4.622 4.120 -0.032 0.000 0.304 431 V C -1.474 174.561 176.094 -0.099 0.000 1.071 431 V CA -0.718 61.658 62.300 0.126 0.000 0.894 431 V CB 1.660 33.549 31.823 0.110 0.000 1.008 431 V HN 0.645 nan 8.190 nan 0.000 0.425 432 F N 2.562 122.675 119.950 0.272 0.000 2.500 432 F HA 0.767 5.275 4.527 -0.031 0.000 0.349 432 F C 0.253 176.255 175.800 0.336 0.000 1.127 432 F CA -0.289 57.865 58.000 0.256 0.000 0.998 432 F CB 2.145 41.291 39.000 0.244 0.000 1.237 432 F HN 0.534 nan 8.300 nan 0.000 0.439 433 T N 1.474 116.222 114.554 0.323 0.000 2.840 433 T HA 0.306 4.637 4.350 -0.032 0.000 0.317 433 T C 0.212 174.992 174.700 0.133 0.000 1.401 433 T CA -0.623 61.618 62.100 0.234 0.000 1.028 433 T CB 1.823 70.743 68.868 0.087 0.000 1.317 433 T HN 0.627 nan 8.240 nan 0.000 0.495 434 K N 0.519 120.983 120.400 0.106 0.000 2.356 434 K HA 0.140 4.441 4.320 -0.032 0.000 0.195 434 K C -0.081 176.538 176.600 0.032 0.000 1.037 434 K CA 0.034 56.365 56.287 0.073 0.000 1.014 434 K CB 0.157 32.706 32.500 0.081 0.000 0.815 434 K HN 0.559 nan 8.250 nan 0.000 0.507 435 D N 0.989 121.392 120.400 0.004 0.000 2.348 435 D HA -0.027 4.594 4.640 -0.032 0.000 0.253 435 D C 0.992 177.271 176.300 -0.035 0.000 1.161 435 D CA -0.225 53.760 54.000 -0.024 0.000 0.876 435 D CB 0.971 41.735 40.800 -0.060 0.000 1.160 435 D HN -0.164 nan 8.370 nan 0.000 0.459 436 L N 4.292 125.501 121.223 -0.023 0.000 1.971 436 L HA -0.138 4.183 4.340 -0.032 0.000 0.215 436 L C 1.531 178.377 176.870 -0.040 0.000 1.072 436 L CA 2.110 56.935 54.840 -0.024 0.000 0.758 436 L CB -0.856 41.195 42.059 -0.014 0.000 0.889 436 L HN 0.673 nan 8.230 nan 0.000 0.433 437 D N -1.022 119.351 120.400 -0.045 0.000 2.123 437 D HA -0.216 4.405 4.640 -0.032 0.000 0.196 437 D C 2.170 178.420 176.300 -0.083 0.000 0.992 437 D CA 1.440 55.408 54.000 -0.054 0.000 0.833 437 D CB 0.032 40.803 40.800 -0.048 0.000 0.954 437 D HN 0.332 nan 8.370 nan 0.000 0.455 438 K N -0.155 120.169 120.400 -0.126 0.000 2.026 438 K HA -0.111 4.190 4.320 -0.032 0.000 0.208 438 K C 2.185 178.698 176.600 -0.146 0.000 1.048 438 K CA 1.022 57.185 56.287 -0.207 0.000 0.929 438 K CB -0.212 32.059 32.500 -0.382 0.000 0.713 438 K HN 0.130 nan 8.250 nan 0.000 0.439 439 A N 1.013 123.774 122.820 -0.099 0.000 1.873 439 A HA -0.176 4.125 4.320 -0.032 0.000 0.218 439 A C 2.363 179.919 177.584 -0.048 0.000 1.193 439 A CA 1.952 53.955 52.037 -0.056 0.000 0.629 439 A CB -0.806 18.171 19.000 -0.038 0.000 0.826 439 A HN 0.106 nan 8.150 nan 0.000 0.447 440 V N 0.316 120.202 119.914 -0.046 0.000 2.379 440 V HA -0.196 3.905 4.120 -0.032 0.000 0.245 440 V C 2.947 179.017 176.094 -0.039 0.000 1.044 440 V CA 2.367 64.645 62.300 -0.037 0.000 1.036 440 V CB -1.439 30.367 31.823 -0.028 0.000 0.664 440 V HN 0.844 nan 8.190 nan 0.000 0.453 441 T N -1.884 112.642 114.554 -0.047 0.000 2.857 441 T HA -0.090 4.241 4.350 -0.032 0.000 0.266 441 T C 1.832 176.508 174.700 -0.041 0.000 1.048 441 T CA 1.419 63.494 62.100 -0.042 0.000 1.139 441 T CB -0.422 68.419 68.868 -0.045 0.000 0.874 441 T HN 0.218 nan 8.240 nan 0.000 0.455 442 V N 2.861 122.748 119.914 -0.044 0.000 2.427 442 V HA -0.135 3.966 4.120 -0.032 0.000 0.248 442 V C 3.202 179.277 176.094 -0.032 0.000 1.051 442 V CA 1.900 64.187 62.300 -0.021 0.000 1.048 442 V CB -0.892 30.949 31.823 0.030 0.000 0.666 442 V HN 0.789 nan 8.190 nan 0.000 0.456 443 S N -0.570 115.106 115.700 -0.039 0.000 2.406 443 S HA -0.145 4.306 4.470 -0.032 0.000 0.228 443 S C 2.051 176.608 174.600 -0.072 0.000 1.020 443 S CA 1.462 59.626 58.200 -0.060 0.000 0.965 443 S CB -0.376 62.791 63.200 -0.055 0.000 0.798 443 S HN 0.476 nan 8.310 nan 0.000 0.488 444 S N 2.213 117.882 115.700 -0.051 0.000 2.383 444 S HA 0.153 4.604 4.470 -0.032 0.000 0.227 444 S C 2.218 176.791 174.600 -0.044 0.000 1.026 444 S CA 1.037 59.214 58.200 -0.040 0.000 0.981 444 S CB -0.666 62.519 63.200 -0.024 0.000 0.818 444 S HN 0.795 nan 8.310 nan 0.000 0.472 445 A N 0.719 123.510 122.820 -0.049 0.000 2.067 445 A HA 0.252 4.553 4.320 -0.032 0.000 0.217 445 A C 0.845 178.381 177.584 -0.081 0.000 1.156 445 A CA 0.366 52.373 52.037 -0.051 0.000 0.683 445 A CB -0.313 18.660 19.000 -0.045 0.000 0.808 445 A HN 0.399 nan 8.150 nan 0.000 0.455 446 L N 0.738 121.892 121.223 -0.115 0.000 2.367 446 L HA 0.100 4.421 4.340 -0.032 0.000 0.275 446 L C 0.134 176.842 176.870 -0.270 0.000 1.129 446 L CA -0.159 54.583 54.840 -0.164 0.000 0.839 446 L CB 0.814 42.776 42.059 -0.162 0.000 1.133 446 L HN 0.388 nan 8.230 nan 0.000 0.453 447 Q N 3.603 123.237 119.800 -0.276 0.000 3.006 447 Q HA 0.483 4.804 4.340 -0.032 0.000 0.260 447 Q C -0.477 175.073 176.000 -0.750 0.000 1.356 447 Q CA -0.282 55.257 55.803 -0.440 0.000 1.070 447 Q CB 0.799 29.497 28.738 -0.066 0.000 1.507 447 Q HN 0.666 nan 8.270 nan 0.000 0.568 448 A N -0.480 121.654 122.820 -1.143 0.000 2.556 448 A HA 0.694 4.995 4.320 -0.032 0.000 0.294 448 A C 0.809 177.846 177.584 -0.912 0.000 1.091 448 A CA -0.437 51.096 52.037 -0.841 0.000 0.704 448 A CB 1.166 19.921 19.000 -0.408 0.000 1.300 448 A HN 0.500 nan 8.150 nan 0.000 0.406 449 G N -0.349 108.282 108.800 -0.281 0.000 2.448 449 G HA2 0.336 4.277 3.960 -0.032 0.000 0.218 449 G HA3 0.336 4.277 3.960 -0.032 0.000 0.218 449 G C 0.475 175.288 174.900 -0.144 0.000 1.135 449 G CA 1.581 46.701 45.100 0.033 0.000 0.784 449 G HN 0.811 nan 8.290 nan 0.000 0.543 450 T N -0.582 113.778 114.554 -0.325 0.000 2.912 450 T HA 0.544 4.875 4.350 -0.032 0.000 0.299 450 T C -1.309 173.032 174.700 -0.598 0.000 1.052 450 T CA -0.365 61.447 62.100 -0.479 0.000 0.996 450 T CB 2.850 71.311 68.868 -0.678 0.000 1.070 450 T HN -0.111 nan 8.240 nan 0.000 0.465 451 V N 3.079 122.675 119.914 -0.529 0.000 2.569 451 V HA 0.456 4.557 4.120 -0.032 0.000 0.301 451 V C -1.207 174.714 176.094 -0.288 0.000 1.044 451 V CA -0.982 61.084 62.300 -0.391 0.000 0.874 451 V CB 1.746 33.435 31.823 -0.223 0.000 1.002 451 V HN 0.779 nan 8.190 nan 0.000 0.424 452 W N 3.959 125.155 121.300 -0.174 0.000 2.391 452 W HA 0.677 5.317 4.660 -0.033 0.000 0.311 452 W C -0.554 175.793 176.519 -0.286 0.000 1.087 452 W CA -0.978 56.227 57.345 -0.233 0.000 1.209 452 W CB 1.836 31.113 29.460 -0.304 0.000 1.273 452 W HN 0.276 nan 8.180 nan 0.000 0.482 453 V N 5.285 125.151 119.914 -0.079 0.000 2.357 453 V HA 0.184 4.285 4.120 -0.032 0.000 0.284 453 V C 0.314 176.201 176.094 -0.345 0.000 1.018 453 V CA -0.890 61.279 62.300 -0.219 0.000 0.841 453 V CB 1.110 32.871 31.823 -0.104 0.000 0.991 453 V HN 0.670 nan 8.190 nan 0.000 0.437 454 N N 1.782 120.095 118.700 -0.645 0.000 2.741 454 N HA -0.176 4.545 4.740 -0.032 0.000 0.251 454 N C -0.183 174.992 175.510 -0.559 0.000 1.112 454 N CA 1.351 54.107 53.050 -0.490 0.000 0.750 454 N CB -1.175 37.248 38.487 -0.107 0.000 1.119 454 N HN 1.030 nan 8.380 nan 0.000 0.561 455 C N -4.107 114.683 119.300 -0.849 0.000 3.293 455 C HA 0.845 5.286 4.460 -0.032 0.000 0.362 455 C C -0.861 173.785 174.990 -0.574 0.000 1.539 455 C CA -1.254 57.009 59.018 -1.258 0.000 1.201 455 C CB 1.929 29.154 27.740 -0.858 0.000 1.770 455 C HN 0.257 nan 8.230 nan 0.000 0.440 456 Y N -0.400 119.503 120.300 -0.661 0.000 2.641 456 Y HA 0.588 5.119 4.550 -0.031 0.000 0.333 456 Y C -0.227 175.355 175.900 -0.531 0.000 1.174 456 Y CA -0.798 57.109 58.100 -0.323 0.000 1.057 456 Y CB 1.131 39.716 38.460 0.208 0.000 1.322 456 Y HN 1.053 nan 8.280 nan 0.000 0.457 457 L N 2.102 122.690 121.223 -1.057 0.000 3.597 457 L HA -0.233 4.088 4.340 -0.032 0.000 0.440 457 L C -0.116 176.275 176.870 -0.798 0.000 1.277 457 L CA 0.875 55.259 54.840 -0.760 0.000 0.852 457 L CB -1.714 40.260 42.059 -0.142 0.000 1.708 457 L HN 0.647 nan 8.230 nan 0.000 0.885 458 A N -0.402 121.569 122.820 -1.416 0.000 2.911 458 A HA 0.771 5.072 4.320 -0.032 0.000 0.304 458 A C 0.928 178.335 177.584 -0.295 0.000 1.144 458 A CA 0.377 51.973 52.037 -0.735 0.000 0.988 458 A CB 0.257 18.793 19.000 -0.773 0.000 1.141 458 A HN 0.656 nan 8.150 nan 0.000 0.552 459 A N -0.002 122.762 122.820 -0.093 0.000 2.371 459 A HA 0.696 4.997 4.320 -0.032 0.000 0.257 459 A C 0.446 178.168 177.584 0.231 0.000 1.089 459 A CA 0.080 52.242 52.037 0.209 0.000 0.794 459 A CB 0.417 19.536 19.000 0.199 0.000 1.029 459 A HN 0.458 nan 8.150 nan 0.000 0.488 460 S N -0.651 115.179 115.700 0.217 0.000 2.595 460 S HA 0.566 5.017 4.470 -0.032 0.000 0.281 460 S C 1.124 175.699 174.600 -0.042 0.000 1.117 460 S CA 0.046 58.316 58.200 0.117 0.000 0.873 460 S CB 1.795 65.007 63.200 0.021 0.000 1.108 460 S HN 1.369 nan 8.310 nan 0.000 0.477 461 A N 1.471 124.116 122.820 -0.292 0.000 2.024 461 A HA -0.135 4.166 4.320 -0.032 0.000 0.220 461 A C 1.821 178.938 177.584 -0.777 0.000 1.164 461 A CA 1.473 53.213 52.037 -0.494 0.000 0.643 461 A CB -0.344 18.333 19.000 -0.537 0.000 0.806 461 A HN 0.736 nan 8.150 nan 0.000 0.451 462 Q N -0.335 119.094 119.800 -0.619 0.000 2.360 462 Q HA 0.189 4.510 4.340 -0.032 0.000 0.202 462 Q C -0.134 175.802 176.000 -0.107 0.000 0.915 462 Q CA 0.323 55.804 55.803 -0.536 0.000 0.943 462 Q CB -0.298 28.308 28.738 -0.219 0.000 1.064 462 Q HN 0.374 nan 8.270 nan 0.000 0.511 463 S N 3.902 119.564 115.700 -0.063 0.000 2.462 463 S HA 0.490 4.941 4.470 -0.032 0.000 0.294 463 S C -2.418 172.213 174.600 0.052 0.000 1.144 463 S CA -1.132 57.087 58.200 0.032 0.000 1.088 463 S CB 1.556 64.792 63.200 0.060 0.000 1.009 463 S HN 0.159 nan 8.310 nan 0.000 0.484 464 P HA 0.430 nan 4.420 nan 0.000 0.272 464 P C -1.301 176.028 177.300 0.048 0.000 1.230 464 P CA -0.411 62.738 63.100 0.081 0.000 0.788 464 P CB 0.639 32.386 31.700 0.078 0.000 0.949 465 A N 0.721 123.576 122.820 0.058 0.000 2.520 465 A HA 0.841 5.142 4.320 -0.032 0.000 0.298 465 A C -0.402 177.208 177.584 0.043 0.000 1.051 465 A CA -0.075 51.980 52.037 0.029 0.000 0.690 465 A CB 1.684 20.709 19.000 0.041 0.000 1.281 465 A HN 0.822 nan 8.150 nan 0.000 0.402 466 G N -0.578 108.238 108.800 0.027 0.000 2.320 466 G HA2 0.600 4.541 3.960 -0.032 0.000 0.297 466 G HA3 0.600 4.541 3.960 -0.032 0.000 0.297 466 G C -0.335 174.617 174.900 0.086 0.000 1.344 466 G CA 0.178 45.311 45.100 0.055 0.000 0.851 466 G HN 1.615 nan 8.290 nan 0.000 0.567 467 G N -1.128 107.737 108.800 0.109 0.000 2.389 467 G HA2 0.646 4.587 3.960 -0.032 0.000 0.328 467 G HA3 0.646 4.587 3.960 -0.032 0.000 0.328 467 G C -0.865 174.196 174.900 0.269 0.000 1.133 467 G CA -0.510 44.691 45.100 0.169 0.000 0.891 467 G HN 0.391 nan 8.290 nan 0.000 0.485 468 F N 0.895 120.860 119.950 0.025 0.000 2.370 468 F HA 0.439 4.947 4.527 -0.032 0.000 0.319 468 F C 1.481 177.324 175.800 0.072 0.000 1.129 468 F CA -0.496 57.528 58.000 0.039 0.000 1.109 468 F CB 1.329 40.341 39.000 0.020 0.000 1.262 468 F HN 0.703 nan 8.300 nan 0.000 0.534 469 K N 0.346 120.877 120.400 0.218 0.000 1.824 469 K HA -0.329 3.972 4.320 -0.032 0.000 0.120 469 K C 0.840 177.530 176.600 0.150 0.000 1.268 469 K CA 2.031 58.423 56.287 0.176 0.000 0.420 469 K CB -0.931 31.698 32.500 0.216 0.000 0.586 469 K HN 0.582 nan 8.250 nan 0.000 0.907 470 M N 0.838 120.532 119.600 0.156 0.000 2.494 470 M HA 0.040 4.501 4.480 -0.032 0.000 0.232 470 M C 1.107 177.527 176.300 0.201 0.000 1.137 470 M CA 0.353 55.721 55.300 0.114 0.000 1.012 470 M CB 0.406 33.017 32.600 0.018 0.000 1.567 470 M HN 0.295 nan 8.290 nan 0.000 0.486 471 S N 0.671 116.517 115.700 0.244 0.000 2.603 471 S HA 0.284 4.735 4.470 -0.032 0.000 0.220 471 S C 0.810 175.473 174.600 0.104 0.000 0.967 471 S CA 0.545 58.870 58.200 0.207 0.000 0.920 471 S CB -0.046 63.266 63.200 0.187 0.000 0.773 471 S HN 0.772 nan 8.310 nan 0.000 0.529 472 G N 0.681 109.516 108.800 0.058 0.000 2.331 472 G HA2 0.087 4.028 3.960 -0.032 0.000 0.402 472 G HA3 0.087 4.028 3.960 -0.032 0.000 0.402 472 G C -1.194 173.674 174.900 -0.052 0.000 1.275 472 G CA -0.678 44.382 45.100 -0.068 0.000 1.003 472 G HN 0.528 nan 8.290 nan 0.000 0.500 473 H N -1.502 117.596 119.070 0.046 0.000 3.046 473 H HA 0.722 5.259 4.556 -0.032 0.000 0.361 473 H C 0.275 175.618 175.328 0.026 0.000 1.235 473 H CA -0.428 55.631 56.048 0.017 0.000 1.146 473 H CB 1.711 31.467 29.762 -0.009 0.000 1.859 473 H HN 2.688 nan 8.280 nan 0.000 0.548 474 G N 1.212 110.138 108.800 0.210 0.000 2.619 474 G HA2 -0.023 3.918 3.960 -0.032 0.000 0.686 474 G HA3 -0.023 3.918 3.960 -0.032 0.000 0.686 474 G C -1.412 173.577 174.900 0.149 0.000 1.256 474 G CA -0.970 44.227 45.100 0.161 0.000 0.826 474 G HN 0.703 nan 8.290 nan 0.000 0.619 475 R N 0.121 120.734 120.500 0.189 0.000 2.888 475 R HA 0.728 5.049 4.340 -0.032 0.000 0.266 475 R C -0.314 176.084 176.300 0.163 0.000 1.020 475 R CA -0.737 55.472 56.100 0.181 0.000 0.963 475 R CB 1.743 32.194 30.300 0.252 0.000 1.197 475 R HN 0.743 nan 8.270 nan 0.000 0.481 476 E N 1.561 121.847 120.200 0.143 0.000 2.266 476 E HA 0.505 4.836 4.350 -0.032 0.000 0.268 476 E C -0.308 176.376 176.600 0.139 0.000 0.879 476 E CA -0.742 55.746 56.400 0.148 0.000 0.762 476 E CB 1.588 31.363 29.700 0.125 0.000 1.199 476 E HN 0.225 nan 8.360 nan 0.000 0.422 477 M N 0.030 119.719 119.600 0.148 0.000 7.319 477 M HA -0.177 4.284 4.480 -0.032 0.000 0.149 477 M C 0.568 176.968 176.300 0.167 0.000 0.480 477 M CA 1.510 56.894 55.300 0.141 0.000 1.311 477 M CB -2.212 30.429 32.600 0.069 0.000 0.421 477 M HN 0.925 nan 8.290 nan 0.000 0.287 478 G N 0.080 108.984 108.800 0.174 0.000 2.740 478 G HA2 -0.258 3.683 3.960 -0.032 0.000 0.250 478 G HA3 -0.258 3.683 3.960 -0.032 0.000 0.250 478 G C 0.517 175.642 174.900 0.374 0.000 1.358 478 G CA 1.368 46.650 45.100 0.302 0.000 0.897 478 G HN 1.280 nan 8.290 nan 0.000 0.567 479 E N -1.123 119.281 120.200 0.339 0.000 2.038 479 E HA -0.209 4.122 4.350 -0.032 0.000 0.195 479 E C 2.126 178.600 176.600 -0.210 0.000 1.000 479 E CA 1.933 58.258 56.400 -0.124 0.000 0.803 479 E CB -0.203 29.566 29.700 0.116 0.000 0.750 479 E HN 0.633 nan 8.360 nan 0.000 0.448 480 Y N 0.538 120.815 120.300 -0.039 0.000 2.114 480 Y HA -0.126 4.405 4.550 -0.032 0.000 0.284 480 Y C 2.243 178.130 175.900 -0.021 0.000 1.143 480 Y CA 2.182 60.283 58.100 0.002 0.000 1.135 480 Y CB -0.685 37.797 38.460 0.037 0.000 0.980 480 Y HN 0.165 nan 8.280 nan 0.000 0.499 481 G N 0.081 109.006 108.800 0.208 0.000 2.440 481 G HA2 -0.275 3.666 3.960 -0.032 0.000 0.218 481 G HA3 -0.275 3.666 3.960 -0.032 0.000 0.218 481 G C 1.480 176.412 174.900 0.052 0.000 1.154 481 G CA 1.261 46.447 45.100 0.144 0.000 0.767 481 G HN 0.374 nan 8.290 nan 0.000 0.552 482 I N 0.766 121.294 120.570 -0.070 0.000 2.264 482 I HA -0.096 4.055 4.170 -0.032 0.000 0.248 482 I C 2.172 178.179 176.117 -0.182 0.000 1.111 482 I CA 0.820 62.025 61.300 -0.159 0.000 1.382 482 I CB -0.905 36.829 38.000 -0.443 0.000 1.060 482 I HN 0.301 nan 8.210 nan 0.000 0.418 483 H N -0.161 118.776 119.070 -0.223 0.000 2.563 483 H HA 0.025 4.561 4.556 -0.033 0.000 0.272 483 H C 1.545 176.711 175.328 -0.270 0.000 1.005 483 H CA 0.181 56.059 56.048 -0.283 0.000 1.171 483 H CB 0.152 29.679 29.762 -0.392 0.000 1.351 483 H HN 0.360 nan 8.280 nan 0.000 0.602 484 E N 0.168 120.297 120.200 -0.118 0.000 2.478 484 E HA -0.118 4.213 4.350 -0.032 0.000 0.198 484 E C 0.107 176.566 176.600 -0.234 0.000 1.046 484 E CA 0.588 56.870 56.400 -0.197 0.000 0.870 484 E CB 0.233 29.807 29.700 -0.211 0.000 0.818 484 E HN 0.671 nan 8.360 nan 0.000 0.527 485 Y N 0.824 121.087 120.300 -0.062 0.000 2.625 485 Y HA 0.058 4.589 4.550 -0.031 0.000 0.285 485 Y C 0.717 176.604 175.900 -0.022 0.000 1.168 485 Y CA -0.108 57.975 58.100 -0.027 0.000 1.250 485 Y CB 0.502 38.963 38.460 0.001 0.000 1.130 485 Y HN -0.122 nan 8.280 nan 0.000 0.526 486 T N -3.317 111.258 114.554 0.035 0.000 2.924 486 T HA 0.609 4.940 4.350 -0.032 0.000 0.291 486 T C -0.879 173.781 174.700 -0.066 0.000 1.045 486 T CA -0.989 61.111 62.100 0.001 0.000 1.015 486 T CB 2.803 71.642 68.868 -0.049 0.000 1.103 486 T HN 0.007 nan 8.240 nan 0.000 0.496 487 E N 0.720 120.906 120.200 -0.024 0.000 2.187 487 E HA 0.554 4.885 4.350 -0.032 0.000 0.268 487 E C -1.304 175.293 176.600 -0.004 0.000 0.896 487 E CA -0.799 55.582 56.400 -0.031 0.000 0.766 487 E CB 1.668 31.368 29.700 0.001 0.000 1.142 487 E HN 0.599 nan 8.360 nan 0.000 0.408 488 V N 5.165 125.067 119.914 -0.020 0.000 2.432 488 V HA 0.311 4.412 4.120 -0.032 0.000 0.275 488 V C 0.054 176.157 176.094 0.016 0.000 1.043 488 V CA -0.431 61.897 62.300 0.047 0.000 0.925 488 V CB 1.115 32.960 31.823 0.037 0.000 0.985 488 V HN 0.578 nan 8.190 nan 0.000 0.466 489 K N 3.179 123.590 120.400 0.019 0.000 2.323 489 K HA 0.503 4.804 4.320 -0.032 0.000 0.259 489 K C -0.563 175.977 176.600 -0.099 0.000 0.947 489 K CA -0.399 55.864 56.287 -0.039 0.000 0.819 489 K CB 1.520 34.001 32.500 -0.032 0.000 1.109 489 K HN 0.682 nan 8.250 nan 0.000 0.429 490 T N 3.055 117.524 114.554 -0.142 0.000 2.767 490 T HA 0.273 4.604 4.350 -0.032 0.000 0.288 490 T C -0.655 173.845 174.700 -0.332 0.000 0.963 490 T CA -0.508 61.456 62.100 -0.227 0.000 1.019 490 T CB 1.069 69.828 68.868 -0.182 0.000 0.923 490 T HN 0.283 nan 8.240 nan 0.000 0.468 491 V N 4.047 123.608 119.914 -0.588 0.000 2.417 491 V HA 0.495 4.596 4.120 -0.032 0.000 0.291 491 V C 0.220 175.942 176.094 -0.620 0.000 1.024 491 V CA -0.670 61.223 62.300 -0.678 0.000 0.861 491 V CB 1.827 33.008 31.823 -1.070 0.000 0.985 491 V HN 0.926 nan 8.190 nan 0.000 0.436 492 T N 6.749 121.086 114.554 -0.362 0.000 2.815 492 T HA 0.588 4.919 4.350 -0.032 0.000 0.289 492 T C -0.353 174.296 174.700 -0.085 0.000 1.000 492 T CA -0.326 61.621 62.100 -0.255 0.000 0.958 492 T CB 0.857 69.536 68.868 -0.316 0.000 0.944 492 T HN 0.492 nan 8.240 nan 0.000 0.442 493 M N 2.772 122.408 119.600 0.059 0.000 2.294 493 M HA 0.465 4.926 4.480 -0.032 0.000 0.335 493 M C -0.028 176.480 176.300 0.348 0.000 1.079 493 M CA -1.092 54.322 55.300 0.189 0.000 0.982 493 M CB 1.881 34.609 32.600 0.213 0.000 1.651 493 M HN 0.318 nan 8.290 nan 0.000 0.437 494 K N 4.302 124.884 120.400 0.304 0.000 2.412 494 K HA 0.436 4.737 4.320 -0.032 0.000 0.281 494 K C -1.019 175.628 176.600 0.079 0.000 1.027 494 K CA 0.010 56.405 56.287 0.180 0.000 0.989 494 K CB 0.343 32.915 32.500 0.121 0.000 0.935 494 K HN 0.682 nan 8.250 nan 0.000 0.475 495 I N 0.752 121.311 120.570 -0.018 0.000 2.740 495 I HA 0.381 4.532 4.170 -0.032 0.000 0.303 495 I C 0.720 176.798 176.117 -0.065 0.000 1.044 495 I CA -0.737 60.559 61.300 -0.006 0.000 1.064 495 I CB 2.284 40.305 38.000 0.035 0.000 1.249 495 I HN 0.707 nan 8.210 nan 0.000 0.433 496 S N 1.768 117.445 115.700 -0.039 0.000 2.414 496 S HA -0.002 4.449 4.470 -0.032 0.000 0.227 496 S C 0.438 175.006 174.600 -0.053 0.000 1.022 496 S CA 0.616 58.789 58.200 -0.046 0.000 0.958 496 S CB -0.524 62.659 63.200 -0.027 0.000 0.797 496 S HN 0.866 nan 8.310 nan 0.000 0.493 497 E N 0.048 120.220 120.200 -0.046 0.000 2.356 497 E HA 0.564 4.895 4.350 -0.032 0.000 0.275 497 E C -1.503 175.074 176.600 -0.039 0.000 0.904 497 E CA -1.139 55.234 56.400 -0.045 0.000 0.757 497 E CB 1.599 31.278 29.700 -0.034 0.000 1.232 497 E HN 0.143 nan 8.360 nan 0.000 0.442 498 K N 2.471 122.849 120.400 -0.036 0.000 2.376 498 K HA 0.363 4.664 4.320 -0.032 0.000 0.257 498 K C -1.287 175.304 176.600 -0.014 0.000 0.939 498 K CA -0.625 55.652 56.287 -0.018 0.000 0.809 498 K CB 1.265 33.761 32.500 -0.007 0.000 1.121 498 K HN 0.519 nan 8.250 nan 0.000 0.425 499 N N 1.617 120.309 118.700 -0.013 0.000 2.269 499 N HA 0.161 4.882 4.740 -0.032 0.000 0.304 499 N C -0.555 174.953 175.510 -0.004 0.000 1.072 499 N CA -0.419 52.625 53.050 -0.010 0.000 0.802 499 N CB 2.085 40.561 38.487 -0.017 0.000 1.348 499 N HN 0.794 nan 8.380 nan 0.000 0.484 500 S N 0.000 115.702 115.700 0.003 0.000 2.498 500 S HA 0.000 4.451 4.470 -0.032 0.000 0.327 500 S CA 0.000 58.206 58.200 0.010 0.000 1.107 500 S CB 0.000 63.207 63.200 0.012 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517