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 2zbl_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKWFNTLSHN RWLEQETDRI FNFGKNAVVP TGFGWLGNKG QIKEEMGTHL DATA SEQUENCE WITARMLHVY SVAASMGRPG AYDLVDHGIK AMNGALRDKK YGGWYACVND DATA SEQUENCE QGVVDASKQG YQHFFALLGA ASAVTTGHPE ARKLLDYTIE VIEKYFWSEE DATA SEQUENCE EQMCLESWDE AFSQTEDYRG GNANMHAVEA FLIVYDVTHD KKWLDRALRI DATA SEQUENCE ASVIIHDVAR NGDYRVNEHF DSQWNPIRDY NKDNPAHRFR AYGGTPGAWI DATA SEQUENCE EWGRLMLHLH AALEARFETP PAWLLEDAKG LFHATIRDAW APDGADGFVY DATA SEQUENCE SVDWDGKPIV RERVRWPIVE AMGTAYALYT LTDDSQYEEW YQKWWDYCIK DATA SEQUENCE YLMDYENGSW WQELDADNKV TTKVWDGKQD IYHLLHCLVI PRLPLAPGLA DATA SEQUENCE PAVAAGLLDI NAXXXXHHHH H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.161 176.300 -0.232 0.000 1.140 1 M CA 0.000 55.211 55.300 -0.149 0.000 0.988 1 M CB 0.000 32.470 32.600 -0.217 0.000 1.302 2 K N 3.509 123.830 120.400 -0.132 0.000 2.240 2 K HA 0.350 4.689 4.320 0.032 0.000 0.271 2 K C -0.923 175.692 176.600 0.025 0.000 1.018 2 K CA -0.184 55.969 56.287 -0.223 0.000 0.874 2 K CB 0.934 33.117 32.500 -0.528 0.000 1.098 2 K HN 0.779 nan 8.250 nan 0.000 0.458 3 W N 2.649 123.727 121.300 -0.369 0.000 3.298 3 W HA 0.191 4.870 4.660 0.030 0.000 0.239 3 W C 0.090 176.539 176.519 -0.116 0.000 1.082 3 W CA -0.436 56.705 57.345 -0.339 0.000 1.711 3 W CB -0.401 28.662 29.460 -0.662 0.000 0.944 3 W HN 0.394 nan 8.180 nan 0.000 0.712 4 F N 2.813 122.799 119.950 0.060 0.000 2.629 4 F HA -0.030 4.515 4.527 0.029 0.000 0.377 4 F C 1.222 177.086 175.800 0.106 0.000 1.101 4 F CA 0.325 58.358 58.000 0.054 0.000 1.301 4 F CB -0.884 38.012 39.000 -0.173 0.000 1.062 4 F HN 0.153 nan 8.300 nan 0.000 0.583 5 N N -1.096 117.839 118.700 0.391 0.000 2.725 5 N HA -0.190 4.569 4.740 0.032 0.000 0.249 5 N C -0.656 174.979 175.510 0.210 0.000 1.103 5 N CA 0.759 53.968 53.050 0.265 0.000 0.707 5 N CB -1.275 37.362 38.487 0.249 0.000 1.043 5 N HN 0.710 nan 8.380 nan 0.000 0.553 6 T N -2.820 111.866 114.554 0.220 0.000 2.807 6 T HA 0.557 4.926 4.350 0.032 0.000 0.279 6 T C 1.119 175.918 174.700 0.165 0.000 0.993 6 T CA -1.044 61.170 62.100 0.190 0.000 0.970 6 T CB 1.791 70.765 68.868 0.176 0.000 0.950 6 T HN 0.098 nan 8.240 nan 0.000 0.441 7 L N 2.254 123.554 121.223 0.129 0.000 2.131 7 L HA -0.106 4.253 4.340 0.032 0.000 0.210 7 L C 3.061 179.973 176.870 0.069 0.000 1.092 7 L CA 1.550 56.444 54.840 0.090 0.000 0.759 7 L CB -0.709 41.393 42.059 0.071 0.000 0.903 7 L HN 0.919 nan 8.230 nan 0.000 0.435 8 S N -1.057 114.686 115.700 0.071 0.000 2.356 8 S HA -0.305 4.184 4.470 0.032 0.000 0.223 8 S C 1.948 176.561 174.600 0.022 0.000 1.032 8 S CA 1.497 59.718 58.200 0.034 0.000 1.005 8 S CB -0.699 62.510 63.200 0.014 0.000 0.867 8 S HN 0.523 nan 8.310 nan 0.000 0.449 9 H N 2.679 121.696 119.070 -0.088 0.000 2.357 9 H HA 0.073 4.647 4.556 0.030 0.000 0.301 9 H C 1.860 177.197 175.328 0.015 0.000 1.082 9 H CA 1.999 57.950 56.048 -0.162 0.000 1.342 9 H CB -0.643 29.013 29.762 -0.178 0.000 1.389 9 H HN 0.338 nan 8.280 nan 0.000 0.511 10 N N 0.328 119.013 118.700 -0.025 0.000 2.223 10 N HA -0.096 4.663 4.740 0.032 0.000 0.185 10 N C 1.919 177.395 175.510 -0.056 0.000 1.016 10 N CA 0.953 53.970 53.050 -0.055 0.000 0.863 10 N CB -0.207 38.304 38.487 0.041 0.000 0.983 10 N HN 0.401 nan 8.380 nan 0.000 0.429 11 R N -0.833 119.654 120.500 -0.022 0.000 2.081 11 R HA -0.124 4.235 4.340 0.032 0.000 0.235 11 R C 1.967 178.231 176.300 -0.059 0.000 1.131 11 R CA 1.186 57.269 56.100 -0.029 0.000 0.960 11 R CB -0.409 29.889 30.300 -0.005 0.000 0.856 11 R HN 0.343 nan 8.270 nan 0.000 0.436 12 W N 1.607 122.773 121.300 -0.224 0.000 2.335 12 W HA -0.182 4.495 4.660 0.028 0.000 0.311 12 W C 1.666 178.016 176.519 -0.282 0.000 1.213 12 W CA 1.417 58.603 57.345 -0.264 0.000 1.274 12 W CB -0.262 28.985 29.460 -0.355 0.000 1.148 12 W HN -0.022 nan 8.180 nan 0.000 0.498 13 L N 0.122 121.292 121.223 -0.089 0.000 2.042 13 L HA -0.252 4.107 4.340 0.032 0.000 0.210 13 L C 2.497 179.238 176.870 -0.215 0.000 1.076 13 L CA 2.061 56.823 54.840 -0.129 0.000 0.749 13 L CB -1.090 40.925 42.059 -0.074 0.000 0.893 13 L HN 0.089 nan 8.230 nan 0.000 0.432 14 E N -0.061 120.035 120.200 -0.174 0.000 2.077 14 E HA -0.261 4.108 4.350 0.032 0.000 0.193 14 E C 2.215 178.683 176.600 -0.220 0.000 0.989 14 E CA 1.218 57.525 56.400 -0.155 0.000 0.800 14 E CB 0.082 29.733 29.700 -0.081 0.000 0.746 14 E HN 0.509 nan 8.360 nan 0.000 0.452 15 Q N -0.019 119.607 119.800 -0.290 0.000 2.079 15 Q HA -0.205 4.154 4.340 0.032 0.000 0.200 15 Q C 2.064 177.841 176.000 -0.372 0.000 0.974 15 Q CA 1.498 57.117 55.803 -0.307 0.000 0.840 15 Q CB -0.049 28.491 28.738 -0.331 0.000 0.898 15 Q HN 0.146 nan 8.270 nan 0.000 0.430 16 E N 0.299 120.153 120.200 -0.577 0.000 2.110 16 E HA -0.141 4.228 4.350 0.032 0.000 0.193 16 E C 1.723 178.140 176.600 -0.307 0.000 0.988 16 E CA 1.755 57.873 56.400 -0.471 0.000 0.804 16 E CB -0.191 29.109 29.700 -0.667 0.000 0.745 16 E HN 0.230 nan 8.360 nan 0.000 0.458 17 T N 1.022 115.366 114.554 -0.350 0.000 2.720 17 T HA -0.144 4.225 4.350 0.032 0.000 0.268 17 T C 1.224 175.529 174.700 -0.659 0.000 1.037 17 T CA 1.415 63.191 62.100 -0.540 0.000 1.144 17 T CB -0.386 68.153 68.868 -0.548 0.000 0.864 17 T HN 0.215 nan 8.240 nan 0.000 0.444 18 D N 0.615 120.820 120.400 -0.326 0.000 2.144 18 D HA -0.055 4.604 4.640 0.032 0.000 0.199 18 D C 2.287 178.576 176.300 -0.018 0.000 0.984 18 D CA 0.786 54.741 54.000 -0.075 0.000 0.834 18 D CB -0.237 40.567 40.800 0.008 0.000 0.955 18 D HN 0.298 nan 8.370 nan 0.000 0.465 19 R N 0.295 120.752 120.500 -0.072 0.000 2.081 19 R HA -0.127 4.232 4.340 0.032 0.000 0.235 19 R C 2.136 178.456 176.300 0.033 0.000 1.131 19 R CA 0.849 56.950 56.100 0.001 0.000 0.960 19 R CB -0.016 30.275 30.300 -0.015 0.000 0.856 19 R HN 0.082 nan 8.270 nan 0.000 0.436 20 I N 0.278 120.802 120.570 -0.077 0.000 2.202 20 I HA -0.222 3.967 4.170 0.032 0.000 0.242 20 I C 2.031 178.207 176.117 0.100 0.000 1.091 20 I CA 1.183 62.443 61.300 -0.066 0.000 1.368 20 I CB -1.283 36.568 38.000 -0.248 0.000 1.058 20 I HN 0.071 nan 8.210 nan 0.000 0.410 21 F N 1.831 121.798 119.950 0.028 0.000 2.120 21 F HA -0.234 4.311 4.527 0.030 0.000 0.300 21 F C 2.402 178.337 175.800 0.224 0.000 1.095 21 F CA 1.158 59.218 58.000 0.100 0.000 1.249 21 F CB -1.564 37.494 39.000 0.097 0.000 0.995 21 F HN 0.217 nan 8.300 nan 0.000 0.480 22 N N -0.391 118.517 118.700 0.346 0.000 2.166 22 N HA -0.205 4.555 4.740 0.032 0.000 0.186 22 N C 1.884 177.530 175.510 0.227 0.000 1.019 22 N CA 1.006 54.200 53.050 0.239 0.000 0.856 22 N CB -0.959 37.629 38.487 0.168 0.000 0.993 22 N HN 0.265 nan 8.380 nan 0.000 0.426 23 F N 1.265 121.277 119.950 0.105 0.000 2.171 23 F HA -0.008 4.538 4.527 0.032 0.000 0.300 23 F C 2.174 178.034 175.800 0.099 0.000 1.090 23 F CA 1.472 59.514 58.000 0.069 0.000 1.293 23 F CB -0.489 38.526 39.000 0.024 0.000 1.013 23 F HN 0.040 nan 8.300 nan 0.000 0.486 24 G N -0.212 108.775 108.800 0.313 0.000 2.484 24 G HA2 -0.202 3.777 3.960 0.032 0.000 0.218 24 G HA3 -0.202 3.777 3.960 0.032 0.000 0.218 24 G C 1.652 176.672 174.900 0.199 0.000 1.130 24 G CA 0.411 45.682 45.100 0.284 0.000 0.784 24 G HN 0.319 nan 8.290 nan 0.000 0.543 25 K N 0.487 120.963 120.400 0.126 0.000 2.147 25 K HA -0.085 4.255 4.320 0.032 0.000 0.205 25 K C 1.877 178.434 176.600 -0.072 0.000 1.049 25 K CA 1.245 57.512 56.287 -0.034 0.000 0.936 25 K CB -0.102 32.367 32.500 -0.050 0.000 0.722 25 K HN 0.235 nan 8.250 nan 0.000 0.446 26 N N 0.677 119.315 118.700 -0.103 0.000 2.550 26 N HA -0.072 4.687 4.740 0.032 0.000 0.186 26 N C 1.187 176.644 175.510 -0.088 0.000 1.110 26 N CA 0.726 53.697 53.050 -0.131 0.000 0.912 26 N CB 0.045 38.406 38.487 -0.211 0.000 0.968 26 N HN 0.166 nan 8.380 nan 0.000 0.448 27 A N 0.020 122.834 122.820 -0.010 0.000 2.167 27 A HA 0.092 4.432 4.320 0.032 0.000 0.214 27 A C 0.603 178.204 177.584 0.028 0.000 1.151 27 A CA -0.028 52.060 52.037 0.085 0.000 0.735 27 A CB -0.050 19.090 19.000 0.233 0.000 0.802 27 A HN 0.055 nan 8.150 nan 0.000 0.467 28 V N 1.665 121.494 119.914 -0.141 0.000 2.493 28 V HA 0.261 4.400 4.120 0.032 0.000 0.292 28 V C 0.344 176.264 176.094 -0.289 0.000 1.016 28 V CA 0.506 62.529 62.300 -0.462 0.000 1.097 28 V CB 0.172 31.634 31.823 -0.601 0.000 0.947 28 V HN 0.460 nan 8.190 nan 0.000 0.479 29 V N 3.322 123.101 119.914 -0.225 0.000 3.102 29 V HA 0.561 4.700 4.120 0.032 0.000 0.312 29 V C -2.243 173.858 176.094 0.011 0.000 1.135 29 V CA -2.060 60.192 62.300 -0.079 0.000 1.022 29 V CB 1.724 33.536 31.823 -0.018 0.000 1.056 29 V HN 0.471 nan 8.190 nan 0.000 0.436 30 P HA -0.117 nan 4.420 nan 0.000 0.217 30 P C 1.316 178.622 177.300 0.010 0.000 1.148 30 P CA 2.466 65.591 63.100 0.041 0.000 0.828 30 P CB -0.005 31.700 31.700 0.008 0.000 0.783 31 T N -5.801 108.751 114.554 -0.003 0.000 3.107 31 T HA 0.522 4.891 4.350 0.032 0.000 0.249 31 T C 0.980 175.652 174.700 -0.048 0.000 1.096 31 T CA 0.321 62.408 62.100 -0.021 0.000 1.012 31 T CB 0.179 69.056 68.868 0.016 0.000 0.977 31 T HN 0.259 nan 8.240 nan 0.000 0.527 32 G N 1.106 109.861 108.800 -0.074 0.000 2.174 32 G HA2 0.249 4.228 3.960 0.032 0.000 0.070 32 G HA3 0.249 4.228 3.960 0.032 0.000 0.070 32 G C -1.655 173.147 174.900 -0.164 0.000 1.120 32 G CA -0.974 44.063 45.100 -0.106 0.000 1.194 32 G HN 0.278 nan 8.290 nan 0.000 0.435 33 F N 2.032 122.033 119.950 0.086 0.000 2.493 33 F HA 0.667 5.213 4.527 0.032 0.000 0.329 33 F C 0.984 176.805 175.800 0.036 0.000 1.126 33 F CA 0.094 58.124 58.000 0.049 0.000 0.937 33 F CB 2.225 41.231 39.000 0.009 0.000 1.146 33 F HN 0.710 nan 8.300 nan 0.000 0.442 34 G N 1.075 109.991 108.800 0.193 0.000 2.525 34 G HA2 0.121 4.101 3.960 0.032 0.000 0.287 34 G HA3 0.121 4.101 3.960 0.032 0.000 0.287 34 G C -1.743 173.288 174.900 0.218 0.000 1.350 34 G CA -0.420 44.797 45.100 0.196 0.000 1.039 34 G HN 0.670 nan 8.290 nan 0.000 0.513 35 W N 1.263 122.591 121.300 0.046 0.000 2.278 35 W HA 0.537 5.217 4.660 0.033 0.000 0.317 35 W C -0.958 175.589 176.519 0.046 0.000 1.030 35 W CA -1.035 56.325 57.345 0.024 0.000 1.334 35 W CB 0.310 29.800 29.460 0.050 0.000 1.215 35 W HN 0.185 nan 8.180 nan 0.000 0.405 36 L N 6.192 127.526 121.223 0.185 0.000 2.397 36 L HA 0.412 4.772 4.340 0.032 0.000 0.271 36 L C 1.245 178.313 176.870 0.329 0.000 1.148 36 L CA -0.141 54.812 54.840 0.187 0.000 0.825 36 L CB 0.407 42.495 42.059 0.049 0.000 1.117 36 L HN 0.460 nan 8.230 nan 0.000 0.456 37 G N 1.215 110.192 108.800 0.294 0.000 2.531 37 G HA2 0.122 4.101 3.960 0.032 0.000 0.281 37 G HA3 0.122 4.101 3.960 0.032 0.000 0.281 37 G C 0.447 175.535 174.900 0.314 0.000 1.382 37 G CA -0.511 44.779 45.100 0.317 0.000 1.045 37 G HN 0.794 nan 8.290 nan 0.000 0.533 38 N N -0.789 118.083 118.700 0.287 0.000 2.364 38 N HA -0.063 4.696 4.740 0.032 0.000 0.183 38 N C 1.190 176.821 175.510 0.202 0.000 1.022 38 N CA 0.639 53.848 53.050 0.264 0.000 0.883 38 N CB 0.078 38.782 38.487 0.361 0.000 0.965 38 N HN 0.287 nan 8.380 nan 0.000 0.438 39 K N -0.360 120.167 120.400 0.210 0.000 2.455 39 K HA 0.185 4.525 4.320 0.032 0.000 0.206 39 K C 0.493 177.184 176.600 0.151 0.000 1.027 39 K CA 0.047 56.437 56.287 0.172 0.000 1.113 39 K CB 1.295 33.872 32.500 0.128 0.000 0.850 39 K HN 0.132 nan 8.250 nan 0.000 0.503 40 G N 2.583 111.479 108.800 0.159 0.000 2.143 40 G HA2 -0.271 3.708 3.960 0.032 0.000 0.249 40 G HA3 -0.271 3.708 3.960 0.032 0.000 0.249 40 G C 0.006 174.791 174.900 -0.191 0.000 0.981 40 G CA 0.362 45.306 45.100 -0.259 0.000 0.665 40 G HN 0.407 nan 8.290 nan 0.000 0.528 41 Q N 0.582 120.367 119.800 -0.025 0.000 2.227 41 Q HA 0.625 4.984 4.340 0.032 0.000 0.245 41 Q C 0.199 176.222 176.000 0.039 0.000 0.926 41 Q CA -0.939 54.865 55.803 0.001 0.000 0.895 41 Q CB 1.344 30.106 28.738 0.039 0.000 1.230 41 Q HN 0.437 nan 8.270 nan 0.000 0.450 42 I N 2.107 122.698 120.570 0.035 0.000 2.556 42 I HA 0.030 4.219 4.170 0.032 0.000 0.284 42 I C 0.463 176.640 176.117 0.099 0.000 1.114 42 I CA 0.138 61.486 61.300 0.080 0.000 1.418 42 I CB 0.438 38.470 38.000 0.053 0.000 1.394 42 I HN 0.374 nan 8.210 nan 0.000 0.552 43 K N 6.818 127.309 120.400 0.151 0.000 2.206 43 K HA 0.135 4.475 4.320 0.032 0.000 0.268 43 K C 0.645 177.279 176.600 0.057 0.000 1.111 43 K CA -0.138 56.202 56.287 0.088 0.000 0.955 43 K CB 0.547 33.080 32.500 0.056 0.000 1.406 43 K HN 0.537 nan 8.250 nan 0.000 0.427 44 E N 1.921 122.145 120.200 0.041 0.000 2.118 44 E HA -0.248 4.121 4.350 0.032 0.000 0.195 44 E C 1.694 178.304 176.600 0.015 0.000 0.992 44 E CA 1.267 57.688 56.400 0.034 0.000 0.804 44 E CB 0.209 29.921 29.700 0.021 0.000 0.741 44 E HN 0.570 nan 8.360 nan 0.000 0.458 45 E N 0.909 121.101 120.200 -0.013 0.000 2.265 45 E HA -0.204 4.165 4.350 0.032 0.000 0.196 45 E C 1.663 178.233 176.600 -0.050 0.000 0.996 45 E CA 0.947 57.326 56.400 -0.034 0.000 0.832 45 E CB -0.111 29.559 29.700 -0.049 0.000 0.756 45 E HN 0.271 nan 8.360 nan 0.000 0.491 46 M N 0.664 120.221 119.600 -0.072 0.000 2.492 46 M HA 0.168 4.668 4.480 0.032 0.000 0.262 46 M C 1.384 177.792 176.300 0.180 0.000 1.090 46 M CA 0.989 56.260 55.300 -0.049 0.000 1.110 46 M CB -1.076 31.310 32.600 -0.356 0.000 1.407 46 M HN 0.241 nan 8.290 nan 0.000 0.470 47 G N 0.719 109.591 108.800 0.121 0.000 2.645 47 G HA2 -0.217 3.762 3.960 0.032 0.000 0.246 47 G HA3 -0.217 3.762 3.960 0.032 0.000 0.246 47 G C -0.409 174.604 174.900 0.188 0.000 1.322 47 G CA -0.171 44.987 45.100 0.097 0.000 0.898 47 G HN 0.315 nan 8.290 nan 0.000 0.573 48 T N 1.318 115.931 114.554 0.099 0.000 2.801 48 T HA 0.571 4.940 4.350 0.032 0.000 0.306 48 T C -0.213 174.541 174.700 0.090 0.000 1.020 48 T CA -0.176 62.005 62.100 0.135 0.000 0.948 48 T CB 0.727 69.650 68.868 0.090 0.000 0.962 48 T HN 0.636 nan 8.240 nan 0.000 0.465 49 H N 1.941 121.060 119.070 0.081 0.000 2.525 49 H HA 0.277 4.852 4.556 0.032 0.000 0.339 49 H C 1.052 176.382 175.328 0.003 0.000 1.109 49 H CA -0.903 55.183 56.048 0.063 0.000 1.352 49 H CB 1.069 30.782 29.762 -0.081 0.000 1.461 49 H HN 0.345 nan 8.280 nan 0.000 0.533 50 L N 3.565 124.912 121.223 0.206 0.000 2.012 50 L HA -0.175 4.185 4.340 0.032 0.000 0.210 50 L C 1.960 178.876 176.870 0.076 0.000 1.073 50 L CA 1.569 56.482 54.840 0.121 0.000 0.748 50 L CB -0.582 41.561 42.059 0.139 0.000 0.891 50 L HN 0.820 nan 8.230 nan 0.000 0.431 51 W N -0.441 120.870 121.300 0.019 0.000 2.388 51 W HA -0.135 4.544 4.660 0.031 0.000 0.294 51 W C 2.117 178.481 176.519 -0.258 0.000 1.212 51 W CA 1.036 58.296 57.345 -0.141 0.000 1.271 51 W CB -1.417 27.987 29.460 -0.093 0.000 1.126 51 W HN 0.197 nan 8.180 nan 0.000 0.535 52 I N 1.559 121.692 120.570 -0.727 0.000 2.252 52 I HA -0.248 3.941 4.170 0.032 0.000 0.245 52 I C 2.592 178.497 176.117 -0.354 0.000 1.102 52 I CA 2.055 62.914 61.300 -0.734 0.000 1.385 52 I CB -0.877 36.633 38.000 -0.817 0.000 1.064 52 I HN -0.096 nan 8.210 nan 0.000 0.414 53 T N 0.835 115.299 114.554 -0.150 0.000 2.708 53 T HA -0.146 4.223 4.350 0.032 0.000 0.266 53 T C 2.056 176.694 174.700 -0.103 0.000 1.037 53 T CA 1.504 63.624 62.100 0.033 0.000 1.146 53 T CB -0.297 68.655 68.868 0.140 0.000 0.865 53 T HN 0.463 nan 8.240 nan 0.000 0.435 54 A N 1.577 124.306 122.820 -0.151 0.000 1.933 54 A HA -0.099 4.240 4.320 0.032 0.000 0.218 54 A C 2.373 179.857 177.584 -0.168 0.000 1.175 54 A CA 1.377 53.317 52.037 -0.163 0.000 0.628 54 A CB -0.461 18.444 19.000 -0.158 0.000 0.814 54 A HN 0.393 nan 8.150 nan 0.000 0.444 55 R N -1.304 119.025 120.500 -0.285 0.000 2.075 55 R HA -0.051 4.308 4.340 0.032 0.000 0.232 55 R C 2.166 178.336 176.300 -0.215 0.000 1.126 55 R CA 1.495 57.403 56.100 -0.319 0.000 0.963 55 R CB -0.296 29.663 30.300 -0.568 0.000 0.858 55 R HN 0.412 nan 8.270 nan 0.000 0.435 56 M N 0.316 119.684 119.600 -0.387 0.000 2.159 56 M HA -0.122 4.377 4.480 0.032 0.000 0.263 56 M C 2.244 178.336 176.300 -0.348 0.000 1.063 56 M CA 1.134 56.103 55.300 -0.552 0.000 1.110 56 M CB -0.878 30.898 32.600 -1.372 0.000 1.374 56 M HN 0.154 nan 8.290 nan 0.000 0.411 57 L N 0.051 121.127 121.223 -0.244 0.000 2.042 57 L HA -0.233 4.126 4.340 0.032 0.000 0.210 57 L C 2.526 179.379 176.870 -0.028 0.000 1.076 57 L CA 2.340 57.143 54.840 -0.062 0.000 0.749 57 L CB -1.192 40.842 42.059 -0.041 0.000 0.893 57 L HN 0.435 nan 8.230 nan 0.000 0.432 58 H N -1.397 117.607 119.070 -0.111 0.000 2.321 58 H HA -0.128 4.448 4.556 0.032 0.000 0.300 58 H C 2.029 177.305 175.328 -0.086 0.000 1.087 58 H CA 2.385 58.395 56.048 -0.063 0.000 1.319 58 H CB -0.432 29.324 29.762 -0.010 0.000 1.379 58 H HN 0.165 nan 8.280 nan 0.000 0.501 59 V N 0.158 119.905 119.914 -0.278 0.000 2.287 59 V HA -0.294 3.845 4.120 0.032 0.000 0.248 59 V C 1.977 177.718 176.094 -0.588 0.000 1.053 59 V CA 2.128 64.159 62.300 -0.449 0.000 1.027 59 V CB -0.765 30.776 31.823 -0.470 0.000 0.646 59 V HN 0.505 nan 8.190 nan 0.000 0.447 60 Y N 0.157 120.309 120.300 -0.247 0.000 2.457 60 Y HA -0.063 4.506 4.550 0.032 0.000 0.292 60 Y C 2.708 178.478 175.900 -0.217 0.000 1.125 60 Y CA 0.917 58.852 58.100 -0.274 0.000 1.254 60 Y CB -0.588 37.760 38.460 -0.186 0.000 1.012 60 Y HN 0.155 nan 8.280 nan 0.000 0.555 61 S N -0.346 115.302 115.700 -0.088 0.000 2.359 61 S HA -0.183 4.306 4.470 0.032 0.000 0.224 61 S C 2.256 176.792 174.600 -0.106 0.000 1.035 61 S CA 1.586 59.745 58.200 -0.069 0.000 1.018 61 S CB -0.710 62.451 63.200 -0.065 0.000 0.876 61 S HN 0.242 nan 8.310 nan 0.000 0.448 62 V N 2.037 121.827 119.914 -0.206 0.000 2.295 62 V HA -0.209 3.930 4.120 0.032 0.000 0.246 62 V C 2.661 178.671 176.094 -0.140 0.000 1.049 62 V CA 1.711 63.926 62.300 -0.142 0.000 1.024 62 V CB -1.273 30.464 31.823 -0.143 0.000 0.648 62 V HN 0.547 nan 8.190 nan 0.000 0.447 63 A N 0.002 122.582 122.820 -0.402 0.000 1.908 63 A HA -0.150 4.190 4.320 0.032 0.000 0.218 63 A C 2.429 179.875 177.584 -0.229 0.000 1.181 63 A CA 2.222 53.860 52.037 -0.666 0.000 0.627 63 A CB -0.799 17.390 19.000 -1.352 0.000 0.818 63 A HN 0.582 nan 8.150 nan 0.000 0.445 64 A N -0.648 122.107 122.820 -0.108 0.000 1.877 64 A HA -0.073 4.267 4.320 0.032 0.000 0.216 64 A C 2.419 180.011 177.584 0.014 0.000 1.186 64 A CA 2.045 54.092 52.037 0.016 0.000 0.620 64 A CB -0.900 18.182 19.000 0.137 0.000 0.822 64 A HN 0.453 nan 8.150 nan 0.000 0.443 65 S N -0.451 115.253 115.700 0.007 0.000 2.419 65 S HA -0.069 4.420 4.470 0.032 0.000 0.233 65 S C 1.694 176.305 174.600 0.019 0.000 1.016 65 S CA 1.430 59.639 58.200 0.015 0.000 0.974 65 S CB -0.353 62.856 63.200 0.015 0.000 0.786 65 S HN 0.569 nan 8.310 nan 0.000 0.492 66 M N 0.499 120.112 119.600 0.021 0.000 2.659 66 M HA 0.111 4.610 4.480 0.032 0.000 0.243 66 M C 1.323 177.647 176.300 0.041 0.000 1.111 66 M CA 0.405 55.736 55.300 0.052 0.000 1.070 66 M CB -0.119 32.551 32.600 0.118 0.000 1.525 66 M HN 0.442 nan 8.290 nan 0.000 0.517 67 G N 1.407 110.217 108.800 0.018 0.000 2.182 67 G HA2 -0.243 3.736 3.960 0.032 0.000 0.248 67 G HA3 -0.243 3.736 3.960 0.032 0.000 0.248 67 G C -0.340 174.570 174.900 0.017 0.000 1.042 67 G CA -0.225 44.882 45.100 0.012 0.000 0.775 67 G HN 0.333 nan 8.290 nan 0.000 0.501 68 R N 0.798 121.305 120.500 0.013 0.000 2.196 68 R HA 0.519 4.878 4.340 0.032 0.000 0.340 68 R C -2.121 174.187 176.300 0.013 0.000 1.043 68 R CA -1.955 54.157 56.100 0.020 0.000 0.883 68 R CB 0.459 30.764 30.300 0.007 0.000 1.078 68 R HN 0.152 nan 8.270 nan 0.000 0.462 69 P HA 0.056 nan 4.420 nan 0.000 0.265 69 P C 0.701 178.009 177.300 0.014 0.000 1.187 69 P CA 0.875 63.984 63.100 0.015 0.000 0.766 69 P CB 0.807 32.512 31.700 0.010 0.000 0.820 70 G N 2.106 110.918 108.800 0.021 0.000 2.299 70 G HA2 -0.344 3.636 3.960 0.032 0.000 0.237 70 G HA3 -0.344 3.636 3.960 0.032 0.000 0.237 70 G C 1.252 176.142 174.900 -0.018 0.000 1.027 70 G CA 0.569 45.667 45.100 -0.004 0.000 0.619 70 G HN 0.691 nan 8.290 nan 0.000 0.513 71 A N -0.349 122.475 122.820 0.006 0.000 1.933 71 A HA 0.174 4.513 4.320 0.032 0.000 0.218 71 A C 1.978 179.608 177.584 0.077 0.000 1.175 71 A CA 2.248 54.293 52.037 0.014 0.000 0.628 71 A CB -0.547 18.457 19.000 0.007 0.000 0.814 71 A HN 1.229 nan 8.150 nan 0.000 0.444 72 Y N 0.921 121.220 120.300 -0.002 0.000 2.293 72 Y HA -0.186 4.384 4.550 0.032 0.000 0.291 72 Y C 1.792 177.729 175.900 0.061 0.000 1.137 72 Y CA 1.795 59.920 58.100 0.041 0.000 1.202 72 Y CB -0.094 38.387 38.460 0.036 0.000 0.990 72 Y HN 0.333 nan 8.280 nan 0.000 0.537 73 D N 0.077 120.532 120.400 0.091 0.000 2.178 73 D HA -0.175 4.484 4.640 0.032 0.000 0.201 73 D C 2.159 178.438 176.300 -0.036 0.000 0.980 73 D CA 1.396 55.402 54.000 0.010 0.000 0.842 73 D CB -0.226 40.581 40.800 0.010 0.000 0.948 73 D HN 0.411 nan 8.370 nan 0.000 0.472 74 L N -0.047 121.138 121.223 -0.063 0.000 2.109 74 L HA -0.095 4.264 4.340 0.032 0.000 0.207 74 L C 2.487 179.430 176.870 0.121 0.000 1.086 74 L CA 0.322 55.156 54.840 -0.009 0.000 0.760 74 L CB -0.265 41.621 42.059 -0.287 0.000 0.910 74 L HN -0.075 nan 8.230 nan 0.000 0.437 75 V N 0.283 120.197 119.914 -0.000 0.000 2.287 75 V HA -0.350 3.790 4.120 0.032 0.000 0.248 75 V C 2.197 178.174 176.094 -0.195 0.000 1.053 75 V CA 2.328 64.575 62.300 -0.089 0.000 1.027 75 V CB -0.503 31.209 31.823 -0.185 0.000 0.646 75 V HN 0.488 nan 8.190 nan 0.000 0.447 76 D N -1.065 119.199 120.400 -0.226 0.000 2.117 76 D HA -0.245 4.414 4.640 0.032 0.000 0.197 76 D C 2.190 178.455 176.300 -0.058 0.000 0.987 76 D CA 1.543 55.457 54.000 -0.143 0.000 0.829 76 D CB -0.242 40.552 40.800 -0.010 0.000 0.961 76 D HN 0.580 nan 8.370 nan 0.000 0.460 77 H N -0.559 118.454 119.070 -0.094 0.000 2.319 77 H HA -0.099 4.476 4.556 0.032 0.000 0.299 77 H C 2.035 177.327 175.328 -0.060 0.000 1.092 77 H CA 1.841 57.823 56.048 -0.109 0.000 1.302 77 H CB -0.376 29.267 29.762 -0.198 0.000 1.373 77 H HN 0.304 nan 8.280 nan 0.000 0.497 78 G N 0.972 109.840 108.800 0.113 0.000 2.421 78 G HA2 -0.206 3.773 3.960 0.032 0.000 0.216 78 G HA3 -0.206 3.773 3.960 0.032 0.000 0.216 78 G C 1.979 176.853 174.900 -0.043 0.000 1.171 78 G CA 0.911 46.101 45.100 0.151 0.000 0.775 78 G HN 0.407 nan 8.290 nan 0.000 0.543 79 I N 0.272 120.767 120.570 -0.125 0.000 2.226 79 I HA -0.150 4.039 4.170 0.032 0.000 0.245 79 I C 2.826 178.890 176.117 -0.089 0.000 1.100 79 I CA 1.176 62.386 61.300 -0.150 0.000 1.374 79 I CB -0.143 37.658 38.000 -0.332 0.000 1.057 79 I HN 0.126 nan 8.210 nan 0.000 0.413 80 K N 0.853 121.183 120.400 -0.117 0.000 2.057 80 K HA -0.163 4.177 4.320 0.032 0.000 0.207 80 K C 2.279 178.818 176.600 -0.102 0.000 1.049 80 K CA 1.555 57.782 56.287 -0.101 0.000 0.931 80 K CB -0.296 32.127 32.500 -0.130 0.000 0.714 80 K HN 0.309 nan 8.250 nan 0.000 0.440 81 A N 1.183 123.895 122.820 -0.179 0.000 1.908 81 A HA -0.166 4.173 4.320 0.032 0.000 0.218 81 A C 2.031 179.639 177.584 0.039 0.000 1.181 81 A CA 1.479 53.446 52.037 -0.116 0.000 0.627 81 A CB -0.347 18.553 19.000 -0.167 0.000 0.818 81 A HN 0.154 nan 8.150 nan 0.000 0.445 82 M N -0.383 119.248 119.600 0.052 0.000 2.476 82 M HA -0.029 4.470 4.480 0.032 0.000 0.262 82 M C 0.858 177.395 176.300 0.394 0.000 1.079 82 M CA 0.990 56.413 55.300 0.206 0.000 1.104 82 M CB -1.510 31.110 32.600 0.034 0.000 1.409 82 M HN 0.533 nan 8.290 nan 0.000 0.467 83 N N -0.466 118.336 118.700 0.170 0.000 2.236 83 N HA 0.163 4.922 4.740 0.032 0.000 0.196 83 N C 1.175 176.717 175.510 0.053 0.000 1.114 83 N CA -0.047 53.064 53.050 0.102 0.000 0.859 83 N CB 0.735 39.246 38.487 0.042 0.000 0.982 83 N HN 0.306 nan 8.380 nan 0.000 0.493 84 G N 0.052 108.896 108.800 0.072 0.000 3.414 84 G HA2 0.442 4.422 3.960 0.032 0.000 0.196 84 G HA3 0.442 4.422 3.960 0.032 0.000 0.196 84 G C 0.925 175.879 174.900 0.091 0.000 1.486 84 G CA 0.284 45.412 45.100 0.046 0.000 0.811 84 G HN 0.115 nan 8.290 nan 0.000 0.704 85 A N -0.450 122.422 122.820 0.087 0.000 1.972 85 A HA 0.111 4.450 4.320 0.032 0.000 0.219 85 A C 2.386 180.121 177.584 0.252 0.000 1.169 85 A CA 1.249 53.364 52.037 0.131 0.000 0.635 85 A CB -0.510 18.537 19.000 0.078 0.000 0.810 85 A HN 0.341 nan 8.150 nan 0.000 0.446 86 L N -1.179 120.201 121.223 0.262 0.000 2.217 86 L HA -0.003 4.356 4.340 0.032 0.000 0.211 86 L C 1.489 178.594 176.870 0.392 0.000 1.107 86 L CA 0.259 55.333 54.840 0.390 0.000 0.783 86 L CB -0.158 42.109 42.059 0.346 0.000 0.919 86 L HN 0.330 nan 8.230 nan 0.000 0.442 87 R N 1.036 121.679 120.500 0.237 0.000 2.347 87 R HA -0.011 4.348 4.340 0.032 0.000 0.304 87 R C -0.194 175.930 176.300 -0.294 0.000 1.072 87 R CA -0.248 55.765 56.100 -0.145 0.000 0.980 87 R CB 0.360 30.582 30.300 -0.130 0.000 0.986 87 R HN -0.113 nan 8.270 nan 0.000 0.448 88 D N 4.007 124.038 120.400 -0.616 0.000 2.359 88 D HA 0.017 4.676 4.640 0.032 0.000 0.250 88 D C -0.047 176.098 176.300 -0.259 0.000 1.264 88 D CA -0.036 53.584 54.000 -0.633 0.000 0.911 88 D CB 0.889 41.254 40.800 -0.725 0.000 1.056 88 D HN 0.424 nan 8.370 nan 0.000 0.499 89 K N 3.338 123.656 120.400 -0.137 0.000 2.366 89 K HA -0.078 4.261 4.320 0.032 0.000 0.198 89 K C 1.493 178.006 176.600 -0.146 0.000 1.044 89 K CA 0.411 56.624 56.287 -0.124 0.000 0.973 89 K CB 0.333 32.791 32.500 -0.071 0.000 0.767 89 K HN 0.428 nan 8.250 nan 0.000 0.475 90 K N -0.450 119.827 120.400 -0.205 0.000 2.141 90 K HA -0.005 4.335 4.320 0.032 0.000 0.202 90 K C 0.904 177.264 176.600 -0.399 0.000 1.045 90 K CA 0.744 56.792 56.287 -0.399 0.000 0.971 90 K CB 0.245 32.340 32.500 -0.674 0.000 0.795 90 K HN -0.017 nan 8.250 nan 0.000 0.459 91 Y N -0.312 120.000 120.300 0.019 0.000 2.445 91 Y HA 0.347 4.916 4.550 0.032 0.000 0.247 91 Y C 0.624 176.597 175.900 0.121 0.000 1.129 91 Y CA 0.075 58.220 58.100 0.076 0.000 1.251 91 Y CB 1.212 39.724 38.460 0.086 0.000 1.176 91 Y HN 0.281 nan 8.280 nan 0.000 0.522 92 G N -0.185 108.696 108.800 0.135 0.000 2.712 92 G HA2 0.336 4.315 3.960 0.032 0.000 0.683 92 G HA3 0.336 4.315 3.960 0.032 0.000 0.683 92 G C 0.274 175.240 174.900 0.109 0.000 1.320 92 G CA -0.509 44.654 45.100 0.105 0.000 0.847 92 G HN 1.093 nan 8.290 nan 0.000 0.553 93 G N -0.868 107.886 108.800 -0.076 0.000 2.645 93 G HA2 0.034 4.013 3.960 0.032 0.000 0.246 93 G HA3 0.034 4.013 3.960 0.032 0.000 0.246 93 G C 0.110 174.739 174.900 -0.452 0.000 1.322 93 G CA 0.601 45.636 45.100 -0.108 0.000 0.898 93 G HN 1.800 nan 8.290 nan 0.000 0.573 94 W N -0.669 120.801 121.300 0.282 0.000 2.839 94 W HA 0.531 5.211 4.660 0.033 0.000 0.334 94 W C -0.573 175.973 176.519 0.045 0.000 1.064 94 W CA -1.110 56.230 57.345 -0.009 0.000 1.236 94 W CB 1.259 30.657 29.460 -0.103 0.000 1.405 94 W HN 0.501 nan 8.180 nan 0.000 0.478 95 Y N 1.091 121.576 120.300 0.308 0.000 2.578 95 Y HA 0.070 4.639 4.550 0.032 0.000 0.339 95 Y C 1.474 177.502 175.900 0.214 0.000 1.231 95 Y CA 0.777 59.006 58.100 0.216 0.000 1.461 95 Y CB 0.213 38.759 38.460 0.143 0.000 1.323 95 Y HN 0.564 nan 8.280 nan 0.000 0.590 96 A N 1.204 124.236 122.820 0.353 0.000 1.930 96 A HA 0.002 4.342 4.320 0.032 0.000 0.217 96 A C 0.665 178.361 177.584 0.186 0.000 1.175 96 A CA 1.354 53.555 52.037 0.273 0.000 0.627 96 A CB -0.228 18.916 19.000 0.241 0.000 0.815 96 A HN 0.705 nan 8.150 nan 0.000 0.443 97 C N -0.607 118.758 119.300 0.108 0.000 2.931 97 C HA 0.584 5.063 4.460 0.032 0.000 0.370 97 C C -0.767 174.206 174.990 -0.027 0.000 1.071 97 C CA -0.262 58.718 59.018 -0.062 0.000 1.266 97 C CB 0.732 28.307 27.740 -0.274 0.000 1.691 97 C HN 0.959 nan 8.230 nan 0.000 0.511 98 V N 3.932 123.836 119.914 -0.017 0.000 3.141 98 V HA 0.917 5.056 4.120 0.032 0.000 0.312 98 V C -0.884 175.199 176.094 -0.019 0.000 1.157 98 V CA -0.475 61.809 62.300 -0.027 0.000 1.041 98 V CB 2.146 33.983 31.823 0.023 0.000 1.071 98 V HN 1.093 nan 8.190 nan 0.000 0.441 99 N N -1.025 117.660 118.700 -0.025 0.000 3.157 99 N HA 0.440 5.199 4.740 0.032 0.000 0.291 99 N C 0.121 175.625 175.510 -0.010 0.000 1.515 99 N CA -0.384 52.661 53.050 -0.008 0.000 0.807 99 N CB 0.381 38.862 38.487 -0.010 0.000 1.672 99 N HN 0.498 nan 8.380 nan 0.000 0.592 100 D N -0.679 119.718 120.400 -0.005 0.000 2.218 100 D HA -0.109 4.550 4.640 0.032 0.000 0.204 100 D C 0.820 177.113 176.300 -0.013 0.000 0.976 100 D CA 1.509 55.505 54.000 -0.006 0.000 0.853 100 D CB 0.077 40.874 40.800 -0.004 0.000 0.939 100 D HN 0.499 nan 8.370 nan 0.000 0.481 101 Q N -0.534 119.255 119.800 -0.019 0.000 2.398 101 Q HA 0.313 4.672 4.340 0.032 0.000 0.204 101 Q C 1.011 176.989 176.000 -0.037 0.000 0.932 101 Q CA 0.468 56.256 55.803 -0.024 0.000 0.916 101 Q CB 1.127 29.852 28.738 -0.023 0.000 1.024 101 Q HN 0.258 nan 8.270 nan 0.000 0.504 102 G N -1.504 107.265 108.800 -0.052 0.000 2.373 102 G HA2 0.100 4.080 3.960 0.032 0.000 0.250 102 G HA3 0.100 4.080 3.960 0.032 0.000 0.250 102 G C -1.643 173.174 174.900 -0.138 0.000 1.304 102 G CA -0.653 44.394 45.100 -0.088 0.000 0.948 102 G HN -0.153 nan 8.290 nan 0.000 0.474 103 V N 1.262 121.044 119.914 -0.219 0.000 2.432 103 V HA 0.402 4.541 4.120 0.032 0.000 0.275 103 V C 1.326 177.318 176.094 -0.170 0.000 1.043 103 V CA -0.166 61.947 62.300 -0.312 0.000 0.925 103 V CB 1.092 32.550 31.823 -0.608 0.000 0.985 103 V HN 0.677 nan 8.190 nan 0.000 0.466 104 V N 2.261 122.102 119.914 -0.122 0.000 2.492 104 V HA 0.111 4.250 4.120 0.032 0.000 0.241 104 V C 0.567 176.634 176.094 -0.044 0.000 1.041 104 V CA 1.193 63.450 62.300 -0.072 0.000 1.057 104 V CB 0.055 31.838 31.823 -0.067 0.000 0.711 104 V HN 0.954 nan 8.190 nan 0.000 0.468 105 D N -0.632 119.752 120.400 -0.027 0.000 2.473 105 D HA 0.496 5.156 4.640 0.032 0.000 0.253 105 D C 0.344 176.698 176.300 0.090 0.000 1.233 105 D CA 0.138 54.157 54.000 0.032 0.000 0.908 105 D CB 1.806 42.642 40.800 0.059 0.000 1.170 105 D HN 0.113 nan 8.370 nan 0.000 0.558 106 A N 2.754 125.629 122.820 0.092 0.000 2.251 106 A HA 0.175 4.515 4.320 0.032 0.000 0.209 106 A C 1.062 178.787 177.584 0.235 0.000 1.187 106 A CA 0.190 52.358 52.037 0.218 0.000 0.823 106 A CB -0.297 18.787 19.000 0.140 0.000 0.846 106 A HN 0.532 nan 8.150 nan 0.000 0.486 107 S N 0.341 116.135 115.700 0.156 0.000 2.584 107 S HA 0.326 4.815 4.470 0.032 0.000 0.270 107 S C -0.191 174.519 174.600 0.183 0.000 1.346 107 S CA -0.248 58.024 58.200 0.120 0.000 1.018 107 S CB 0.605 63.873 63.200 0.112 0.000 0.899 107 S HN 0.163 nan 8.310 nan 0.000 0.542 108 K N 2.467 122.956 120.400 0.148 0.000 2.414 108 K HA 0.290 4.629 4.320 0.032 0.000 0.251 108 K C -0.639 176.241 176.600 0.466 0.000 1.037 108 K CA -0.340 56.122 56.287 0.291 0.000 0.980 108 K CB 1.048 33.473 32.500 -0.126 0.000 1.280 108 K HN 0.610 nan 8.250 nan 0.000 0.451 109 Q N 0.873 120.952 119.800 0.464 0.000 2.322 109 Q HA 0.193 4.553 4.340 0.032 0.000 0.256 109 Q C 1.292 177.431 176.000 0.233 0.000 0.960 109 Q CA -0.132 55.887 55.803 0.360 0.000 0.934 109 Q CB 1.561 30.457 28.738 0.263 0.000 1.200 109 Q HN 0.747 nan 8.270 nan 0.000 0.435 110 G N 2.201 111.108 108.800 0.178 0.000 2.476 110 G HA2 -0.344 3.635 3.960 0.032 0.000 0.218 110 G HA3 -0.344 3.635 3.960 0.032 0.000 0.218 110 G C 1.162 176.069 174.900 0.012 0.000 1.164 110 G CA 0.732 45.685 45.100 -0.245 0.000 0.768 110 G HN 0.713 nan 8.290 nan 0.000 0.560 111 Y N 1.381 121.797 120.300 0.194 0.000 2.096 111 Y HA -0.302 4.268 4.550 0.032 0.000 0.278 111 Y C 3.088 179.105 175.900 0.196 0.000 1.192 111 Y CA 2.689 60.933 58.100 0.240 0.000 1.143 111 Y CB -0.095 38.432 38.460 0.112 0.000 0.963 111 Y HN 0.325 nan 8.280 nan 0.000 0.505 112 Q N -1.737 118.243 119.800 0.301 0.000 2.187 112 Q HA -0.157 4.203 4.340 0.032 0.000 0.199 112 Q C 2.007 178.001 176.000 -0.009 0.000 0.957 112 Q CA 1.064 57.010 55.803 0.237 0.000 0.857 112 Q CB -0.258 28.639 28.738 0.266 0.000 0.929 112 Q HN 0.697 nan 8.270 nan 0.000 0.453 113 H N -0.568 118.363 119.070 -0.231 0.000 2.423 113 H HA -0.073 4.503 4.556 0.032 0.000 0.297 113 H C 1.671 176.730 175.328 -0.448 0.000 1.075 113 H CA 0.967 56.775 56.048 -0.401 0.000 1.342 113 H CB 0.121 29.427 29.762 -0.759 0.000 1.395 113 H HN 0.225 nan 8.280 nan 0.000 0.530 114 F N -0.086 119.780 119.950 -0.141 0.000 2.234 114 F HA -0.115 4.431 4.527 0.032 0.000 0.299 114 F C 2.192 177.740 175.800 -0.421 0.000 1.087 114 F CA 0.629 58.471 58.000 -0.264 0.000 1.340 114 F CB -0.731 38.057 39.000 -0.353 0.000 1.031 114 F HN 0.020 nan 8.300 nan 0.000 0.500 115 F N 0.105 119.944 119.950 -0.184 0.000 2.186 115 F HA -0.108 4.438 4.527 0.031 0.000 0.299 115 F C 2.471 178.100 175.800 -0.286 0.000 1.090 115 F CA 0.952 58.777 58.000 -0.291 0.000 1.307 115 F CB -1.162 37.630 39.000 -0.348 0.000 1.019 115 F HN -0.058 nan 8.300 nan 0.000 0.489 116 A N -0.107 122.600 122.820 -0.188 0.000 1.908 116 A HA -0.209 4.130 4.320 0.032 0.000 0.218 116 A C 2.145 179.566 177.584 -0.271 0.000 1.181 116 A CA 1.760 53.555 52.037 -0.404 0.000 0.627 116 A CB -1.130 17.385 19.000 -0.808 0.000 0.818 116 A HN 0.342 nan 8.150 nan 0.000 0.445 117 L N -0.857 120.269 121.223 -0.162 0.000 2.017 117 L HA -0.123 4.236 4.340 0.032 0.000 0.208 117 L C 2.300 179.112 176.870 -0.096 0.000 1.073 117 L CA 2.098 56.892 54.840 -0.076 0.000 0.745 117 L CB -0.639 41.457 42.059 0.061 0.000 0.894 117 L HN 0.381 nan 8.230 nan 0.000 0.432 118 L N -0.164 120.984 121.223 -0.125 0.000 1.990 118 L HA -0.108 4.251 4.340 0.032 0.000 0.213 118 L C 2.341 179.176 176.870 -0.057 0.000 1.072 118 L CA 2.310 57.072 54.840 -0.129 0.000 0.755 118 L CB -1.511 40.404 42.059 -0.240 0.000 0.889 118 L HN 0.328 nan 8.230 nan 0.000 0.432 119 G N -1.312 107.452 108.800 -0.061 0.000 2.440 119 G HA2 -0.263 3.716 3.960 0.032 0.000 0.218 119 G HA3 -0.263 3.716 3.960 0.032 0.000 0.218 119 G C 1.584 176.460 174.900 -0.039 0.000 1.154 119 G CA 0.950 46.037 45.100 -0.022 0.000 0.767 119 G HN 0.682 nan 8.290 nan 0.000 0.552 120 A N 1.080 123.852 122.820 -0.080 0.000 1.898 120 A HA 0.318 4.657 4.320 0.032 0.000 0.216 120 A C 2.820 180.379 177.584 -0.041 0.000 1.181 120 A CA 2.199 54.200 52.037 -0.059 0.000 0.620 120 A CB -0.776 18.193 19.000 -0.051 0.000 0.819 120 A HN 0.775 nan 8.150 nan 0.000 0.442 121 A N -0.519 122.268 122.820 -0.055 0.000 1.902 121 A HA -0.066 4.274 4.320 0.032 0.000 0.217 121 A C 2.441 180.016 177.584 -0.016 0.000 1.181 121 A CA 2.067 54.068 52.037 -0.060 0.000 0.623 121 A CB -0.878 18.064 19.000 -0.097 0.000 0.818 121 A HN 0.446 nan 8.150 nan 0.000 0.443 122 S N -0.076 115.644 115.700 0.033 0.000 2.382 122 S HA -0.036 4.453 4.470 0.032 0.000 0.228 122 S C 2.276 176.891 174.600 0.025 0.000 1.027 122 S CA 1.122 59.363 58.200 0.069 0.000 0.991 122 S CB -0.453 62.869 63.200 0.204 0.000 0.823 122 S HN 0.797 nan 8.310 nan 0.000 0.469 123 A N 1.113 123.938 122.820 0.008 0.000 1.933 123 A HA -0.048 4.291 4.320 0.032 0.000 0.218 123 A C 2.293 179.893 177.584 0.026 0.000 1.175 123 A CA 1.319 53.353 52.037 -0.005 0.000 0.628 123 A CB -0.896 18.070 19.000 -0.057 0.000 0.814 123 A HN 0.336 nan 8.150 nan 0.000 0.444 124 V N 0.806 120.729 119.914 0.014 0.000 2.380 124 V HA -0.272 3.868 4.120 0.032 0.000 0.251 124 V C 2.979 179.090 176.094 0.029 0.000 1.063 124 V CA 2.473 64.786 62.300 0.021 0.000 1.055 124 V CB -1.317 30.500 31.823 -0.011 0.000 0.657 124 V HN 0.878 nan 8.190 nan 0.000 0.455 125 T N -1.931 112.634 114.554 0.019 0.000 3.007 125 T HA -0.166 4.203 4.350 0.032 0.000 0.270 125 T C 1.655 176.383 174.700 0.046 0.000 1.107 125 T CA 1.670 63.781 62.100 0.019 0.000 1.118 125 T CB -0.583 68.291 68.868 0.011 0.000 0.889 125 T HN 0.661 nan 8.240 nan 0.000 0.506 126 T N -2.521 112.084 114.554 0.085 0.000 3.067 126 T HA 0.414 4.784 4.350 0.032 0.000 0.257 126 T C 2.006 176.807 174.700 0.169 0.000 1.105 126 T CA 0.691 62.878 62.100 0.145 0.000 1.104 126 T CB -0.551 68.462 68.868 0.241 0.000 0.925 126 T HN 0.953 nan 8.240 nan 0.000 0.498 127 G N 1.239 110.125 108.800 0.143 0.000 2.179 127 G HA2 -0.288 3.691 3.960 0.032 0.000 0.260 127 G HA3 -0.288 3.691 3.960 0.032 0.000 0.260 127 G C 0.021 175.039 174.900 0.197 0.000 0.977 127 G CA 0.209 45.383 45.100 0.124 0.000 0.641 127 G HN 0.919 nan 8.290 nan 0.000 0.533 128 H N 2.405 121.593 119.070 0.196 0.000 3.125 128 H HA 0.117 4.692 4.556 0.032 0.000 0.310 128 H C -0.564 174.828 175.328 0.107 0.000 0.980 128 H CA -0.051 56.122 56.048 0.208 0.000 1.422 128 H CB 1.327 31.119 29.762 0.050 0.000 1.432 128 H HN 0.197 nan 8.280 nan 0.000 0.577 129 P HA -0.097 nan 4.420 nan 0.000 0.228 129 P C 0.464 177.866 177.300 0.170 0.000 1.151 129 P CA 0.937 64.078 63.100 0.068 0.000 0.770 129 P CB 0.514 32.197 31.700 -0.028 0.000 0.786 130 E N -0.988 119.450 120.200 0.397 0.000 2.481 130 E HA 0.201 4.570 4.350 0.032 0.000 0.198 130 E C 1.838 178.529 176.600 0.151 0.000 1.027 130 E CA 0.152 56.702 56.400 0.249 0.000 0.900 130 E CB -0.169 29.678 29.700 0.246 0.000 0.993 130 E HN 0.176 nan 8.360 nan 0.000 0.482 131 A N 1.592 124.510 122.820 0.163 0.000 1.873 131 A HA -0.175 4.165 4.320 0.032 0.000 0.215 131 A C 2.251 179.871 177.584 0.060 0.000 1.186 131 A CA 1.653 53.725 52.037 0.058 0.000 0.616 131 A CB -0.266 18.769 19.000 0.059 0.000 0.823 131 A HN 0.078 nan 8.150 nan 0.000 0.442 132 R N 0.272 120.814 120.500 0.070 0.000 2.081 132 R HA -0.119 4.241 4.340 0.032 0.000 0.235 132 R C 2.045 178.389 176.300 0.073 0.000 1.131 132 R CA 2.229 58.361 56.100 0.054 0.000 0.960 132 R CB -0.526 29.801 30.300 0.046 0.000 0.856 132 R HN 0.517 nan 8.270 nan 0.000 0.436 133 K N -0.473 119.979 120.400 0.086 0.000 2.063 133 K HA -0.143 4.197 4.320 0.032 0.000 0.208 133 K C 1.882 178.571 176.600 0.148 0.000 1.048 133 K CA 1.544 57.892 56.287 0.102 0.000 0.928 133 K CB -0.332 32.219 32.500 0.085 0.000 0.713 133 K HN 0.169 nan 8.250 nan 0.000 0.442 134 L N 0.858 122.165 121.223 0.140 0.000 2.017 134 L HA -0.130 4.229 4.340 0.032 0.000 0.208 134 L C 1.991 178.985 176.870 0.207 0.000 1.073 134 L CA 1.425 56.385 54.840 0.201 0.000 0.745 134 L CB -0.657 41.476 42.059 0.123 0.000 0.894 134 L HN 0.246 nan 8.230 nan 0.000 0.432 135 L N -0.374 120.915 121.223 0.109 0.000 2.017 135 L HA -0.213 4.147 4.340 0.032 0.000 0.208 135 L C 2.061 178.987 176.870 0.093 0.000 1.073 135 L CA 1.930 56.807 54.840 0.063 0.000 0.745 135 L CB -1.072 40.986 42.059 -0.002 0.000 0.894 135 L HN 0.309 nan 8.230 nan 0.000 0.432 136 D N -1.451 119.019 120.400 0.116 0.000 2.104 136 D HA -0.275 4.384 4.640 0.032 0.000 0.194 136 D C 2.025 178.433 176.300 0.181 0.000 0.994 136 D CA 1.797 55.876 54.000 0.131 0.000 0.830 136 D CB -0.389 40.486 40.800 0.125 0.000 0.959 136 D HN 0.505 nan 8.370 nan 0.000 0.452 137 Y N 1.563 121.937 120.300 0.124 0.000 2.200 137 Y HA -0.193 4.376 4.550 0.032 0.000 0.290 137 Y C 2.301 178.341 175.900 0.233 0.000 1.137 137 Y CA 1.727 59.914 58.100 0.145 0.000 1.163 137 Y CB -0.596 37.951 38.460 0.144 0.000 0.988 137 Y HN -0.095 nan 8.280 nan 0.000 0.518 138 T N 1.211 115.871 114.554 0.176 0.000 2.746 138 T HA -0.183 4.186 4.350 0.032 0.000 0.267 138 T C 2.077 176.843 174.700 0.111 0.000 1.039 138 T CA 1.910 64.130 62.100 0.201 0.000 1.142 138 T CB -0.480 68.506 68.868 0.198 0.000 0.866 138 T HN 0.356 nan 8.240 nan 0.000 0.444 139 I N 0.977 121.607 120.570 0.100 0.000 2.208 139 I HA -0.204 3.986 4.170 0.032 0.000 0.245 139 I C 2.789 178.995 176.117 0.148 0.000 1.097 139 I CA 1.455 62.855 61.300 0.167 0.000 1.363 139 I CB -0.337 37.771 38.000 0.181 0.000 1.051 139 I HN 0.359 nan 8.210 nan 0.000 0.413 140 E N 0.774 120.996 120.200 0.037 0.000 2.077 140 E HA -0.199 4.171 4.350 0.032 0.000 0.193 140 E C 2.296 178.838 176.600 -0.096 0.000 0.989 140 E CA 1.578 57.961 56.400 -0.029 0.000 0.800 140 E CB 0.149 29.819 29.700 -0.050 0.000 0.746 140 E HN 0.277 nan 8.360 nan 0.000 0.452 141 V N 1.580 121.395 119.914 -0.164 0.000 2.343 141 V HA -0.262 3.878 4.120 0.032 0.000 0.247 141 V C 2.438 178.635 176.094 0.171 0.000 1.051 141 V CA 1.217 63.480 62.300 -0.062 0.000 1.036 141 V CB -0.401 31.408 31.823 -0.023 0.000 0.654 141 V HN 0.377 nan 8.190 nan 0.000 0.451 142 I N 0.206 120.945 120.570 0.281 0.000 2.179 142 I HA -0.204 3.985 4.170 0.032 0.000 0.242 142 I C 2.538 178.907 176.117 0.420 0.000 1.088 142 I CA 1.715 63.287 61.300 0.453 0.000 1.357 142 I CB -1.175 37.118 38.000 0.489 0.000 1.051 142 I HN 0.467 nan 8.210 nan 0.000 0.409 143 E N 0.366 120.735 120.200 0.282 0.000 2.204 143 E HA -0.233 4.137 4.350 0.032 0.000 0.194 143 E C 2.114 178.742 176.600 0.046 0.000 0.989 143 E CA 0.816 57.351 56.400 0.224 0.000 0.824 143 E CB 0.008 29.790 29.700 0.136 0.000 0.756 143 E HN 0.398 nan 8.360 nan 0.000 0.477 144 K N -0.195 120.109 120.400 -0.160 0.000 2.076 144 K HA -0.108 4.231 4.320 0.032 0.000 0.204 144 K C 0.985 177.172 176.600 -0.689 0.000 1.051 144 K CA 1.182 57.143 56.287 -0.544 0.000 0.949 144 K CB 0.185 32.136 32.500 -0.917 0.000 0.726 144 K HN 0.069 nan 8.250 nan 0.000 0.443 145 Y N -2.514 117.587 120.300 -0.331 0.000 2.423 145 Y HA 0.235 4.804 4.550 0.032 0.000 0.257 145 Y C 0.780 176.443 175.900 -0.394 0.000 1.087 145 Y CA -0.290 57.418 58.100 -0.653 0.000 1.258 145 Y CB 0.747 38.338 38.460 -1.449 0.000 1.237 145 Y HN -0.037 nan 8.280 nan 0.000 0.517 146 F N -2.744 117.440 119.950 0.389 0.000 2.747 146 F HA 0.179 4.726 4.527 0.032 0.000 0.305 146 F C 0.565 176.748 175.800 0.639 0.000 1.065 146 F CA -0.637 57.649 58.000 0.476 0.000 1.230 146 F CB 0.276 39.402 39.000 0.210 0.000 1.027 146 F HN -0.063 nan 8.300 nan 0.000 0.607 147 W N 2.524 124.165 121.300 0.567 0.000 2.331 147 W HA 0.481 5.161 4.660 0.033 0.000 0.306 147 W C -0.343 176.348 176.519 0.285 0.000 1.162 147 W CA -0.657 56.969 57.345 0.467 0.000 1.232 147 W CB 1.391 31.100 29.460 0.414 0.000 1.235 147 W HN -0.218 nan 8.180 nan 0.000 0.479 148 S N 4.188 119.611 115.700 -0.462 0.000 2.430 148 S HA 0.027 4.516 4.470 0.032 0.000 0.289 148 S C 1.190 175.379 174.600 -0.685 0.000 1.143 148 S CA -0.276 57.693 58.200 -0.385 0.000 1.067 148 S CB 0.991 64.085 63.200 -0.177 0.000 0.964 148 S HN 0.678 nan 8.310 nan 0.000 0.485 149 E N 4.026 124.034 120.200 -0.321 0.000 2.150 149 E HA -0.234 4.135 4.350 0.032 0.000 0.193 149 E C 1.411 177.925 176.600 -0.143 0.000 0.985 149 E CA 1.588 57.888 56.400 -0.166 0.000 0.814 149 E CB -0.270 29.433 29.700 0.006 0.000 0.752 149 E HN 0.897 nan 8.360 nan 0.000 0.466 150 E N 1.277 121.405 120.200 -0.120 0.000 2.072 150 E HA -0.185 4.185 4.350 0.032 0.000 0.190 150 E C 1.840 178.376 176.600 -0.107 0.000 0.982 150 E CA 1.475 57.827 56.400 -0.080 0.000 0.803 150 E CB -0.143 29.533 29.700 -0.040 0.000 0.755 150 E HN 0.430 nan 8.360 nan 0.000 0.453 151 E N 0.079 120.185 120.200 -0.157 0.000 2.299 151 E HA -0.039 4.330 4.350 0.032 0.000 0.193 151 E C 0.005 176.416 176.600 -0.315 0.000 0.998 151 E CA 0.309 56.614 56.400 -0.158 0.000 0.851 151 E CB 0.203 29.888 29.700 -0.025 0.000 0.795 151 E HN 0.147 nan 8.360 nan 0.000 0.492 152 Q N -0.150 119.377 119.800 -0.455 0.000 2.451 152 Q HA -0.208 4.151 4.340 0.032 0.000 0.305 152 Q C -0.455 175.152 176.000 -0.655 0.000 1.345 152 Q CA 1.014 56.497 55.803 -0.534 0.000 0.854 152 Q CB -1.064 27.620 28.738 -0.090 0.000 1.162 152 Q HN 0.279 nan 8.270 nan 0.000 0.440 153 M N -1.577 117.479 119.600 -0.908 0.000 2.813 153 M HA 0.326 4.825 4.480 0.032 0.000 0.270 153 M C -0.410 175.774 176.300 -0.193 0.000 1.267 153 M CA -0.661 54.358 55.300 -0.468 0.000 0.822 153 M CB 1.516 33.727 32.600 -0.649 0.000 1.671 153 M HN 0.115 nan 8.290 nan 0.000 0.468 154 C N 2.036 121.502 119.300 0.277 0.000 2.388 154 C HA 0.623 5.102 4.460 0.032 0.000 0.362 154 C C 0.851 176.175 174.990 0.557 0.000 1.266 154 C CA -0.840 58.501 59.018 0.538 0.000 2.028 154 C CB -0.344 27.770 27.740 0.623 0.000 2.440 154 C HN 0.624 nan 8.230 nan 0.000 0.547 155 L N 1.978 123.522 121.223 0.535 0.000 2.474 155 L HA 0.146 4.505 4.340 0.032 0.000 0.259 155 L C 1.456 178.653 176.870 0.544 0.000 1.232 155 L CA 0.119 55.217 54.840 0.429 0.000 0.821 155 L CB 0.302 42.569 42.059 0.346 0.000 1.108 155 L HN 0.745 nan 8.230 nan 0.000 0.495 156 E N 0.274 120.704 120.200 0.384 0.000 2.094 156 E HA 0.030 4.399 4.350 0.032 0.000 0.193 156 E C -0.023 176.867 176.600 0.483 0.000 0.950 156 E CA 0.659 57.322 56.400 0.438 0.000 0.842 156 E CB 0.519 30.456 29.700 0.394 0.000 0.816 156 E HN 0.661 nan 8.360 nan 0.000 0.465 157 S N -2.243 113.655 115.700 0.330 0.000 2.587 157 S HA 0.630 5.119 4.470 0.032 0.000 0.269 157 S C -1.635 173.028 174.600 0.105 0.000 1.154 157 S CA -1.073 57.358 58.200 0.386 0.000 0.824 157 S CB 0.410 63.760 63.200 0.249 0.000 1.118 157 S HN 0.180 nan 8.310 nan 0.000 0.462 158 W N 0.989 122.343 121.300 0.091 0.000 2.975 158 W HA 0.514 5.193 4.660 0.032 0.000 0.342 158 W C -0.406 176.015 176.519 -0.165 0.000 1.168 158 W CA -0.403 56.895 57.345 -0.079 0.000 1.141 158 W CB 0.828 30.164 29.460 -0.206 0.000 1.445 158 W HN 0.857 nan 8.180 nan 0.000 0.560 159 D N 0.280 120.715 120.400 0.058 0.000 2.363 159 D HA -0.045 4.615 4.640 0.032 0.000 0.240 159 D C 0.931 177.074 176.300 -0.262 0.000 1.236 159 D CA -0.099 53.865 54.000 -0.059 0.000 0.927 159 D CB 0.782 41.554 40.800 -0.047 0.000 1.150 159 D HN 0.704 nan 8.370 nan 0.000 0.458 160 E N 0.367 120.444 120.200 -0.206 0.000 2.108 160 E HA -0.284 4.085 4.350 0.032 0.000 0.203 160 E C 1.548 177.827 176.600 -0.534 0.000 1.022 160 E CA 1.799 58.053 56.400 -0.244 0.000 0.823 160 E CB -0.238 29.460 29.700 -0.004 0.000 0.744 160 E HN 0.585 nan 8.360 nan 0.000 0.456 161 A N -0.517 121.939 122.820 -0.607 0.000 2.278 161 A HA 0.144 4.484 4.320 0.032 0.000 0.212 161 A C 0.024 177.401 177.584 -0.346 0.000 1.213 161 A CA 0.008 51.526 52.037 -0.865 0.000 0.840 161 A CB -0.445 17.940 19.000 -1.026 0.000 0.866 161 A HN 0.449 nan 8.150 nan 0.000 0.489 162 F N -0.900 118.864 119.950 -0.309 0.000 3.067 162 F HA -0.252 4.294 4.527 0.032 0.000 0.279 162 F C 1.493 177.304 175.800 0.018 0.000 0.945 162 F CA 0.723 58.511 58.000 -0.354 0.000 0.948 162 F CB -2.497 35.820 39.000 -1.138 0.000 0.898 162 F HN 0.188 nan 8.300 nan 0.000 0.746 163 S N -1.657 114.176 115.700 0.220 0.000 2.425 163 S HA 0.022 4.511 4.470 0.032 0.000 0.225 163 S C 0.672 175.457 174.600 0.308 0.000 1.024 163 S CA 1.024 59.347 58.200 0.206 0.000 0.951 163 S CB 0.279 63.517 63.200 0.063 0.000 0.796 163 S HN 0.568 nan 8.310 nan 0.000 0.498 164 Q N -0.006 119.989 119.800 0.325 0.000 2.386 164 Q HA 0.390 4.749 4.340 0.032 0.000 0.274 164 Q C -0.972 174.838 176.000 -0.317 0.000 1.011 164 Q CA -0.227 55.605 55.803 0.049 0.000 0.867 164 Q CB 1.700 30.434 28.738 -0.008 0.000 1.409 164 Q HN 0.047 nan 8.270 nan 0.000 0.395 165 T N 1.435 115.449 114.554 -0.899 0.000 2.899 165 T HA 0.247 4.617 4.350 0.032 0.000 0.284 165 T C -0.652 173.747 174.700 -0.501 0.000 1.004 165 T CA -0.365 61.006 62.100 -1.216 0.000 1.043 165 T CB 0.809 68.725 68.868 -1.588 0.000 1.013 165 T HN 0.635 nan 8.240 nan 0.000 0.518 166 E N 1.770 121.760 120.200 -0.350 0.000 2.384 166 E HA -0.014 4.355 4.350 0.032 0.000 0.266 166 E C -0.474 176.074 176.600 -0.085 0.000 1.012 166 E CA -0.306 56.019 56.400 -0.126 0.000 0.901 166 E CB 0.477 30.168 29.700 -0.015 0.000 0.967 166 E HN 0.488 nan 8.360 nan 0.000 0.435 167 D N 4.390 124.769 120.400 -0.035 0.000 2.767 167 D HA 0.045 4.705 4.640 0.032 0.000 0.231 167 D C -1.616 174.722 176.300 0.063 0.000 1.105 167 D CA 0.421 54.411 54.000 -0.018 0.000 1.024 167 D CB -0.660 40.134 40.800 -0.010 0.000 1.123 167 D HN 0.360 nan 8.370 nan 0.000 0.470 168 Y N 0.240 120.460 120.300 -0.134 0.000 2.573 168 Y HA 0.418 4.987 4.550 0.032 0.000 0.328 168 Y C -1.791 173.982 175.900 -0.211 0.000 1.170 168 Y CA -1.078 56.929 58.100 -0.155 0.000 1.078 168 Y CB 0.961 39.354 38.460 -0.110 0.000 1.341 168 Y HN -0.181 nan 8.280 nan 0.000 0.459 169 R N 3.004 122.932 120.500 -0.954 0.000 2.628 169 R HA 0.711 5.071 4.340 0.032 0.000 0.288 169 R C -0.954 174.799 176.300 -0.912 0.000 0.980 169 R CA -0.791 54.759 56.100 -0.916 0.000 0.891 169 R CB 1.874 31.148 30.300 -1.710 0.000 1.188 169 R HN 0.938 nan 8.270 nan 0.000 0.450 170 G N -0.442 108.241 108.800 -0.195 0.000 2.530 170 G HA2 0.436 4.415 3.960 0.032 0.000 0.316 170 G HA3 0.436 4.415 3.960 0.032 0.000 0.316 170 G C 0.661 175.823 174.900 0.436 0.000 1.298 170 G CA -0.506 44.732 45.100 0.229 0.000 0.948 170 G HN 0.534 nan 8.290 nan 0.000 0.486 171 G N 1.174 110.291 108.800 0.528 0.000 2.422 171 G HA2 -0.224 3.755 3.960 0.032 0.000 0.218 171 G HA3 -0.224 3.755 3.960 0.032 0.000 0.218 171 G C 1.341 176.581 174.900 0.567 0.000 1.140 171 G CA 0.965 46.435 45.100 0.618 0.000 0.775 171 G HN 0.643 nan 8.290 nan 0.000 0.545 172 N N 0.457 119.455 118.700 0.497 0.000 2.039 172 N HA -0.092 4.667 4.740 0.032 0.000 0.193 172 N C 2.615 178.413 175.510 0.480 0.000 1.044 172 N CA 1.052 54.398 53.050 0.493 0.000 0.847 172 N CB -0.150 38.679 38.487 0.570 0.000 1.030 172 N HN 0.253 nan 8.380 nan 0.000 0.422 173 A N 0.879 124.027 122.820 0.547 0.000 1.908 173 A HA -0.195 4.145 4.320 0.032 0.000 0.218 173 A C 1.912 179.562 177.584 0.111 0.000 1.181 173 A CA 1.808 54.124 52.037 0.465 0.000 0.627 173 A CB -0.854 18.494 19.000 0.579 0.000 0.818 173 A HN 0.432 nan 8.150 nan 0.000 0.445 174 N N -1.052 117.752 118.700 0.173 0.000 2.188 174 N HA -0.099 4.661 4.740 0.032 0.000 0.184 174 N C 1.719 177.103 175.510 -0.210 0.000 1.018 174 N CA 1.523 54.584 53.050 0.019 0.000 0.858 174 N CB -0.311 38.347 38.487 0.285 0.000 0.989 174 N HN 0.608 nan 8.380 nan 0.000 0.426 175 M N -0.093 119.341 119.600 -0.276 0.000 2.086 175 M HA -0.188 4.312 4.480 0.032 0.000 0.261 175 M C 1.408 177.173 176.300 -0.891 0.000 1.067 175 M CA 1.615 56.306 55.300 -1.016 0.000 1.116 175 M CB -0.091 31.800 32.600 -1.180 0.000 1.348 175 M HN 0.305 nan 8.290 nan 0.000 0.407 176 H N -0.271 118.466 119.070 -0.556 0.000 2.491 176 H HA 0.025 4.600 4.556 0.032 0.000 0.290 176 H C 2.068 176.900 175.328 -0.827 0.000 1.050 176 H CA 1.333 56.957 56.048 -0.706 0.000 1.309 176 H CB -0.343 28.884 29.762 -0.891 0.000 1.392 176 H HN 0.535 nan 8.280 nan 0.000 0.554 177 A N 0.758 122.965 122.820 -1.021 0.000 1.877 177 A HA -0.122 4.217 4.320 0.032 0.000 0.216 177 A C 2.808 179.622 177.584 -1.284 0.000 1.186 177 A CA 1.525 52.571 52.037 -1.650 0.000 0.620 177 A CB -0.887 16.846 19.000 -2.113 0.000 0.822 177 A HN 0.197 nan 8.150 nan 0.000 0.443 178 V N 0.239 119.672 119.914 -0.803 0.000 2.282 178 V HA -0.332 3.807 4.120 0.032 0.000 0.249 178 V C 2.578 178.490 176.094 -0.303 0.000 1.057 178 V CA 2.505 64.556 62.300 -0.414 0.000 1.032 178 V CB -0.801 30.861 31.823 -0.268 0.000 0.645 178 V HN 0.794 nan 8.190 nan 0.000 0.447 179 E N 0.119 120.087 120.200 -0.387 0.000 2.049 179 E HA -0.284 4.085 4.350 0.032 0.000 0.198 179 E C 2.219 178.690 176.600 -0.214 0.000 1.007 179 E CA 1.733 57.966 56.400 -0.278 0.000 0.809 179 E CB -0.245 29.281 29.700 -0.291 0.000 0.749 179 E HN 0.567 nan 8.360 nan 0.000 0.450 180 A N 0.573 123.229 122.820 -0.273 0.000 1.873 180 A HA -0.139 4.200 4.320 0.032 0.000 0.215 180 A C 1.953 179.572 177.584 0.058 0.000 1.186 180 A CA 1.225 53.181 52.037 -0.135 0.000 0.616 180 A CB -0.786 18.148 19.000 -0.110 0.000 0.823 180 A HN 0.350 nan 8.150 nan 0.000 0.442 181 F N 0.164 120.049 119.950 -0.107 0.000 2.161 181 F HA -0.136 4.410 4.527 0.031 0.000 0.300 181 F C 2.128 177.934 175.800 0.009 0.000 1.089 181 F CA 0.550 58.538 58.000 -0.019 0.000 1.282 181 F CB -1.283 37.778 39.000 0.102 0.000 1.010 181 F HN 0.108 nan 8.300 nan 0.000 0.485 182 L N -0.549 120.780 121.223 0.176 0.000 2.012 182 L HA -0.260 4.100 4.340 0.032 0.000 0.210 182 L C 2.422 179.373 176.870 0.136 0.000 1.073 182 L CA 0.908 55.828 54.840 0.134 0.000 0.748 182 L CB -0.568 41.513 42.059 0.036 0.000 0.891 182 L HN 0.027 nan 8.230 nan 0.000 0.431 183 I N -1.087 119.505 120.570 0.036 0.000 2.439 183 I HA -0.165 4.024 4.170 0.032 0.000 0.251 183 I C 2.539 178.617 176.117 -0.066 0.000 1.139 183 I CA 1.035 62.334 61.300 -0.003 0.000 1.438 183 I CB -1.040 36.947 38.000 -0.022 0.000 1.085 183 I HN 0.056 nan 8.210 nan 0.000 0.427 184 V N 0.742 120.564 119.914 -0.154 0.000 2.343 184 V HA -0.318 3.821 4.120 0.032 0.000 0.247 184 V C 2.481 178.403 176.094 -0.286 0.000 1.051 184 V CA 1.817 63.873 62.300 -0.406 0.000 1.036 184 V CB -1.018 30.226 31.823 -0.964 0.000 0.654 184 V HN 0.352 nan 8.190 nan 0.000 0.451 185 Y N 1.769 121.972 120.300 -0.162 0.000 2.128 185 Y HA -0.273 4.296 4.550 0.031 0.000 0.284 185 Y C 2.320 178.255 175.900 0.059 0.000 1.154 185 Y CA 2.073 60.209 58.100 0.061 0.000 1.149 185 Y CB -0.470 38.078 38.460 0.147 0.000 0.976 185 Y HN 0.334 nan 8.280 nan 0.000 0.505 186 D N -0.327 120.041 120.400 -0.054 0.000 2.218 186 D HA -0.122 4.537 4.640 0.032 0.000 0.204 186 D C 1.798 177.894 176.300 -0.339 0.000 0.976 186 D CA 1.760 55.656 54.000 -0.173 0.000 0.853 186 D CB -0.247 40.547 40.800 -0.011 0.000 0.939 186 D HN 0.449 nan 8.370 nan 0.000 0.481 187 V N -1.833 117.924 119.914 -0.262 0.000 3.271 187 V HA 0.277 4.417 4.120 0.032 0.000 0.327 187 V C 1.254 177.205 176.094 -0.238 0.000 1.389 187 V CA 0.795 62.946 62.300 -0.249 0.000 1.156 187 V CB 0.144 31.874 31.823 -0.154 0.000 1.103 187 V HN 0.114 nan 8.190 nan 0.000 0.453 188 T N -4.638 109.759 114.554 -0.262 0.000 3.010 188 T HA 0.190 4.560 4.350 0.032 0.000 0.253 188 T C 0.738 175.386 174.700 -0.086 0.000 0.939 188 T CA 0.740 62.768 62.100 -0.120 0.000 0.910 188 T CB -0.599 68.291 68.868 0.037 0.000 1.226 188 T HN 0.498 nan 8.240 nan 0.000 0.508 189 H N 2.131 121.033 119.070 -0.281 0.000 2.594 189 H HA -0.124 4.450 4.556 0.031 0.000 0.316 189 H C -0.851 174.451 175.328 -0.044 0.000 1.107 189 H CA 0.490 56.323 56.048 -0.357 0.000 1.133 189 H CB -0.934 28.684 29.762 -0.239 0.000 1.459 189 H HN 0.412 nan 8.280 nan 0.000 0.411 190 D N 0.857 121.398 120.400 0.234 0.000 2.392 190 D HA 0.080 4.739 4.640 0.032 0.000 0.228 190 D C 1.104 177.640 176.300 0.393 0.000 1.074 190 D CA -0.667 53.500 54.000 0.279 0.000 0.838 190 D CB 0.861 41.826 40.800 0.274 0.000 1.067 190 D HN 0.566 nan 8.370 nan 0.000 0.511 191 K N 3.697 124.259 120.400 0.269 0.000 2.360 191 K HA -0.210 4.129 4.320 0.032 0.000 0.201 191 K C 1.488 178.075 176.600 -0.022 0.000 1.046 191 K CA 1.070 57.456 56.287 0.165 0.000 0.940 191 K CB -0.035 32.507 32.500 0.071 0.000 0.748 191 K HN 0.329 nan 8.250 nan 0.000 0.465 192 K N 0.577 120.894 120.400 -0.139 0.000 2.103 192 K HA -0.177 4.162 4.320 0.032 0.000 0.207 192 K C 1.441 177.717 176.600 -0.540 0.000 1.048 192 K CA 1.616 57.665 56.287 -0.396 0.000 0.930 192 K CB -0.514 31.645 32.500 -0.568 0.000 0.716 192 K HN 0.343 nan 8.250 nan 0.000 0.444 193 W N 0.720 121.898 121.300 -0.203 0.000 2.388 193 W HA -0.034 4.645 4.660 0.032 0.000 0.294 193 W C 2.023 178.422 176.519 -0.200 0.000 1.212 193 W CA -0.114 57.046 57.345 -0.308 0.000 1.271 193 W CB -0.263 29.113 29.460 -0.140 0.000 1.126 193 W HN 0.085 nan 8.180 nan 0.000 0.535 194 L N 0.313 121.526 121.223 -0.016 0.000 2.179 194 L HA -0.120 4.239 4.340 0.032 0.000 0.208 194 L C 1.741 178.545 176.870 -0.110 0.000 1.096 194 L CA 1.805 56.547 54.840 -0.164 0.000 0.779 194 L CB -0.859 40.891 42.059 -0.517 0.000 0.922 194 L HN -0.164 nan 8.230 nan 0.000 0.443 195 D N -0.415 119.908 120.400 -0.129 0.000 2.104 195 D HA -0.195 4.464 4.640 0.032 0.000 0.194 195 D C 2.309 178.568 176.300 -0.068 0.000 0.994 195 D CA 1.255 55.197 54.000 -0.097 0.000 0.830 195 D CB -0.051 40.674 40.800 -0.125 0.000 0.959 195 D HN 0.289 nan 8.370 nan 0.000 0.452 196 R N 0.656 121.046 120.500 -0.183 0.000 2.073 196 R HA -0.036 4.324 4.340 0.032 0.000 0.234 196 R C 2.372 178.745 176.300 0.122 0.000 1.134 196 R CA 1.307 57.284 56.100 -0.205 0.000 0.952 196 R CB -0.337 29.497 30.300 -0.777 0.000 0.850 196 R HN 0.106 nan 8.270 nan 0.000 0.433 197 A N 1.199 124.138 122.820 0.198 0.000 1.908 197 A HA -0.179 4.160 4.320 0.032 0.000 0.218 197 A C 2.104 179.793 177.584 0.175 0.000 1.181 197 A CA 1.255 53.420 52.037 0.214 0.000 0.627 197 A CB -0.523 18.581 19.000 0.173 0.000 0.818 197 A HN 0.252 nan 8.150 nan 0.000 0.445 198 L N -0.267 121.028 121.223 0.120 0.000 2.056 198 L HA -0.109 4.250 4.340 0.032 0.000 0.207 198 L C 2.438 179.448 176.870 0.233 0.000 1.078 198 L CA 2.451 57.386 54.840 0.158 0.000 0.749 198 L CB -0.553 41.548 42.059 0.071 0.000 0.901 198 L HN 0.450 nan 8.230 nan 0.000 0.433 199 R N 0.267 120.870 120.500 0.170 0.000 2.083 199 R HA -0.150 4.209 4.340 0.032 0.000 0.237 199 R C 2.087 178.454 176.300 0.112 0.000 1.137 199 R CA 2.279 58.467 56.100 0.146 0.000 0.951 199 R CB -1.007 29.401 30.300 0.181 0.000 0.851 199 R HN 0.503 nan 8.270 nan 0.000 0.434 200 I N 0.648 121.323 120.570 0.174 0.000 2.163 200 I HA -0.260 3.930 4.170 0.032 0.000 0.243 200 I C 2.407 178.584 176.117 0.100 0.000 1.085 200 I CA 1.606 62.979 61.300 0.121 0.000 1.347 200 I CB -0.534 37.596 38.000 0.216 0.000 1.044 200 I HN 0.376 nan 8.210 nan 0.000 0.408 201 A N 0.611 123.579 122.820 0.245 0.000 1.972 201 A HA -0.224 4.115 4.320 0.032 0.000 0.219 201 A C 2.491 180.130 177.584 0.093 0.000 1.169 201 A CA 2.112 54.296 52.037 0.246 0.000 0.635 201 A CB -0.832 18.453 19.000 0.475 0.000 0.810 201 A HN 0.551 nan 8.150 nan 0.000 0.446 202 S N -0.579 115.175 115.700 0.091 0.000 2.399 202 S HA -0.100 4.389 4.470 0.032 0.000 0.231 202 S C 1.730 176.167 174.600 -0.272 0.000 1.022 202 S CA 1.477 59.528 58.200 -0.248 0.000 0.983 202 S CB -0.696 62.421 63.200 -0.139 0.000 0.803 202 S HN 0.237 nan 8.310 nan 0.000 0.480 203 V N 1.644 121.418 119.914 -0.233 0.000 2.302 203 V HA 0.063 4.202 4.120 0.032 0.000 0.243 203 V C 2.472 178.390 176.094 -0.293 0.000 1.036 203 V CA 1.584 63.706 62.300 -0.297 0.000 1.020 203 V CB -0.573 30.995 31.823 -0.425 0.000 0.657 203 V HN 0.451 nan 8.190 nan 0.000 0.453 204 I N -0.571 119.802 120.570 -0.328 0.000 2.353 204 I HA -0.143 4.047 4.170 0.032 0.000 0.248 204 I C 2.051 177.931 176.117 -0.394 0.000 1.119 204 I CA 1.132 62.240 61.300 -0.320 0.000 1.417 204 I CB -0.082 37.690 38.000 -0.381 0.000 1.078 204 I HN 0.223 nan 8.210 nan 0.000 0.421 205 I N -0.503 119.803 120.570 -0.440 0.000 2.726 205 I HA -0.116 4.073 4.170 0.032 0.000 0.243 205 I C 2.520 178.503 176.117 -0.223 0.000 1.082 205 I CA 1.364 62.466 61.300 -0.329 0.000 1.447 205 I CB -1.606 36.264 38.000 -0.216 0.000 1.250 205 I HN 0.167 nan 8.210 nan 0.000 0.453 206 H N 1.035 119.880 119.070 -0.376 0.000 2.423 206 H HA -0.154 4.422 4.556 0.032 0.000 0.297 206 H C 1.779 176.847 175.328 -0.432 0.000 1.075 206 H CA 2.148 57.886 56.048 -0.518 0.000 1.342 206 H CB 0.116 29.143 29.762 -1.225 0.000 1.395 206 H HN 0.305 nan 8.280 nan 0.000 0.530 207 D N -1.019 119.127 120.400 -0.422 0.000 2.278 207 D HA -0.083 4.577 4.640 0.032 0.000 0.228 207 D C 2.325 178.430 176.300 -0.325 0.000 1.020 207 D CA 1.581 55.354 54.000 -0.378 0.000 0.922 207 D CB -0.435 40.201 40.800 -0.273 0.000 1.051 207 D HN 0.199 nan 8.370 nan 0.000 0.452 208 V N 1.361 121.128 119.914 -0.244 0.000 2.270 208 V HA -0.079 4.060 4.120 0.032 0.000 0.245 208 V C 2.687 178.610 176.094 -0.285 0.000 1.043 208 V CA 1.932 64.111 62.300 -0.202 0.000 1.014 208 V CB -1.091 30.706 31.823 -0.043 0.000 0.645 208 V HN 0.366 nan 8.190 nan 0.000 0.447 209 A N 0.190 122.825 122.820 -0.308 0.000 1.877 209 A HA -0.262 4.077 4.320 0.032 0.000 0.216 209 A C 2.421 179.688 177.584 -0.529 0.000 1.186 209 A CA 2.160 53.974 52.037 -0.371 0.000 0.620 209 A CB -0.618 18.185 19.000 -0.328 0.000 0.822 209 A HN 0.471 nan 8.150 nan 0.000 0.443 210 R N -0.206 119.924 120.500 -0.617 0.000 2.096 210 R HA -0.112 4.247 4.340 0.032 0.000 0.235 210 R C 1.181 177.073 176.300 -0.679 0.000 1.127 210 R CA 1.608 57.133 56.100 -0.959 0.000 0.968 210 R CB -0.278 29.618 30.300 -0.672 0.000 0.861 210 R HN 0.514 nan 8.270 nan 0.000 0.440 211 N N -0.445 117.975 118.700 -0.467 0.000 2.521 211 N HA -0.030 4.729 4.740 0.032 0.000 0.188 211 N C 0.394 175.730 175.510 -0.289 0.000 1.146 211 N CA 0.932 53.781 53.050 -0.336 0.000 0.893 211 N CB 0.852 39.170 38.487 -0.282 0.000 0.975 211 N HN 0.316 nan 8.380 nan 0.000 0.451 212 G N 0.292 108.893 108.800 -0.331 0.000 4.547 212 G HA2 0.095 4.075 3.960 0.032 0.000 0.301 212 G HA3 0.095 4.075 3.960 0.032 0.000 0.301 212 G C -0.354 174.417 174.900 -0.215 0.000 1.240 212 G CA -0.358 44.587 45.100 -0.258 0.000 0.970 212 G HN 0.024 nan 8.290 nan 0.000 0.574 213 D N -0.196 120.077 120.400 -0.212 0.000 2.837 213 D HA -0.259 4.400 4.640 0.032 0.000 0.230 213 D C 0.248 176.537 176.300 -0.018 0.000 1.152 213 D CA 1.111 55.068 54.000 -0.072 0.000 0.736 213 D CB -1.506 39.311 40.800 0.029 0.000 1.084 213 D HN 0.669 nan 8.370 nan 0.000 0.429 214 Y N -2.435 117.757 120.300 -0.180 0.000 4.668 214 Y HA -0.322 4.248 4.550 0.033 0.000 0.234 214 Y C 0.944 176.434 175.900 -0.684 0.000 1.056 214 Y CA 1.035 58.969 58.100 -0.276 0.000 2.025 214 Y CB -1.606 36.799 38.460 -0.092 0.000 1.613 214 Y HN 0.229 nan 8.280 nan 0.000 0.653 215 R N 0.890 121.018 120.500 -0.620 0.000 2.220 215 R HA 0.404 4.763 4.340 0.032 0.000 0.340 215 R C -0.135 175.787 176.300 -0.630 0.000 1.076 215 R CA -0.494 54.980 56.100 -1.044 0.000 0.920 215 R CB 0.866 31.048 30.300 -0.196 0.000 1.062 215 R HN -0.054 nan 8.270 nan 0.000 0.469 216 V N 3.985 123.324 119.914 -0.957 0.000 2.521 216 V HA -0.049 4.090 4.120 0.032 0.000 0.286 216 V C 0.888 177.044 176.094 0.103 0.000 1.034 216 V CA -0.175 61.943 62.300 -0.303 0.000 1.045 216 V CB 0.577 32.325 31.823 -0.126 0.000 0.974 216 V HN 0.708 nan 8.190 nan 0.000 0.480 217 N N 3.713 122.400 118.700 -0.022 0.000 2.458 217 N HA 0.091 4.850 4.740 0.032 0.000 0.270 217 N C 0.765 176.234 175.510 -0.069 0.000 1.102 217 N CA -0.144 52.850 53.050 -0.093 0.000 0.967 217 N CB 1.601 39.798 38.487 -0.484 0.000 1.078 217 N HN 0.923 nan 8.380 nan 0.000 0.471 218 E N 2.815 122.928 120.200 -0.146 0.000 2.413 218 E HA 0.036 4.405 4.350 0.032 0.000 0.203 218 E C -0.425 175.990 176.600 -0.308 0.000 0.957 218 E CA 0.410 56.741 56.400 -0.115 0.000 0.950 218 E CB 0.101 29.742 29.700 -0.097 0.000 0.957 218 E HN 0.537 nan 8.360 nan 0.000 0.497 219 H N 0.136 119.067 119.070 -0.231 0.000 2.504 219 H HA 0.374 4.949 4.556 0.032 0.000 0.322 219 H C -1.084 173.827 175.328 -0.694 0.000 1.055 219 H CA -0.560 55.262 56.048 -0.377 0.000 1.231 219 H CB 0.398 30.045 29.762 -0.193 0.000 1.417 219 H HN 0.043 nan 8.280 nan 0.000 0.472 220 F N 1.135 120.756 119.950 -0.548 0.000 2.603 220 F HA 0.141 4.687 4.527 0.032 0.000 0.317 220 F C 0.556 176.014 175.800 -0.569 0.000 1.066 220 F CA -1.081 56.625 58.000 -0.490 0.000 0.941 220 F CB 1.417 40.054 39.000 -0.606 0.000 1.291 220 F HN 0.463 nan 8.300 nan 0.000 0.472 221 D N -0.563 119.736 120.400 -0.167 0.000 2.447 221 D HA 0.144 4.804 4.640 0.032 0.000 0.265 221 D C 0.746 176.855 176.300 -0.319 0.000 1.250 221 D CA -0.440 53.449 54.000 -0.186 0.000 1.046 221 D CB 0.316 41.070 40.800 -0.076 0.000 1.095 221 D HN 0.317 nan 8.370 nan 0.000 0.555 222 S N -1.228 114.334 115.700 -0.230 0.000 2.507 222 S HA -0.093 4.397 4.470 0.032 0.000 0.235 222 S C 1.214 175.705 174.600 -0.182 0.000 0.988 222 S CA 0.508 58.558 58.200 -0.251 0.000 0.944 222 S CB -0.176 62.942 63.200 -0.137 0.000 0.762 222 S HN 0.406 nan 8.310 nan 0.000 0.526 223 Q N -0.880 118.858 119.800 -0.103 0.000 2.246 223 Q HA 0.113 4.473 4.340 0.032 0.000 0.202 223 Q C -0.495 175.584 176.000 0.132 0.000 0.883 223 Q CA -0.137 55.679 55.803 0.022 0.000 0.952 223 Q CB -0.235 28.516 28.738 0.021 0.000 1.078 223 Q HN 0.650 nan 8.270 nan 0.000 0.493 224 W N 1.271 122.545 121.300 -0.043 0.000 4.435 224 W HA -0.219 4.460 4.660 0.032 0.000 0.351 224 W C -0.422 176.174 176.519 0.127 0.000 1.319 224 W CA 0.038 57.343 57.345 -0.066 0.000 0.791 224 W CB -2.086 27.236 29.460 -0.230 0.000 2.419 224 W HN 0.078 nan 8.180 nan 0.000 1.406 225 N N 0.970 119.805 118.700 0.225 0.000 2.455 225 N HA 0.317 5.076 4.740 0.032 0.000 0.280 225 N C -2.182 173.393 175.510 0.109 0.000 1.055 225 N CA -1.522 51.627 53.050 0.165 0.000 0.961 225 N CB 0.766 39.282 38.487 0.048 0.000 1.121 225 N HN -0.288 nan 8.380 nan 0.000 0.476 226 P HA 0.075 nan 4.420 nan 0.000 0.265 226 P C -0.230 176.937 177.300 -0.222 0.000 1.187 226 P CA 0.409 63.277 63.100 -0.388 0.000 0.766 226 P CB 0.514 31.957 31.700 -0.429 0.000 0.820 227 I N 4.095 124.543 120.570 -0.203 0.000 2.412 227 I HA 0.228 4.417 4.170 0.032 0.000 0.279 227 I C 1.477 177.646 176.117 0.087 0.000 1.063 227 I CA -0.613 60.683 61.300 -0.006 0.000 1.193 227 I CB 0.977 39.035 38.000 0.098 0.000 1.370 227 I HN 0.225 nan 8.210 nan 0.000 0.479 228 R N 2.900 123.426 120.500 0.043 0.000 2.189 228 R HA -0.133 4.226 4.340 0.032 0.000 0.223 228 R C 0.947 177.517 176.300 0.450 0.000 1.092 228 R CA 1.293 57.486 56.100 0.155 0.000 0.989 228 R CB -0.371 29.899 30.300 -0.049 0.000 0.876 228 R HN 0.737 nan 8.270 nan 0.000 0.457 229 D N -2.470 118.157 120.400 0.378 0.000 2.349 229 D HA -0.094 4.565 4.640 0.032 0.000 0.214 229 D C 0.270 176.829 176.300 0.430 0.000 1.063 229 D CA -0.436 53.839 54.000 0.460 0.000 0.847 229 D CB -0.309 40.650 40.800 0.265 0.000 0.933 229 D HN 0.076 nan 8.370 nan 0.000 0.513 230 Y N 2.014 122.457 120.300 0.238 0.000 2.717 230 Y HA -0.015 4.554 4.550 0.032 0.000 0.330 230 Y C 0.515 176.450 175.900 0.057 0.000 1.217 230 Y CA 0.388 58.523 58.100 0.059 0.000 1.506 230 Y CB 0.171 38.566 38.460 -0.107 0.000 1.268 230 Y HN -0.045 nan 8.280 nan 0.000 0.561 231 N N 2.982 121.389 118.700 -0.489 0.000 2.741 231 N HA -0.274 4.485 4.740 0.032 0.000 0.250 231 N C 0.804 176.321 175.510 0.011 0.000 1.115 231 N CA 1.325 54.210 53.050 -0.276 0.000 0.724 231 N CB -0.625 37.728 38.487 -0.223 0.000 1.090 231 N HN 0.770 nan 8.380 nan 0.000 0.558 232 K N -0.155 120.248 120.400 0.005 0.000 2.113 232 K HA -0.140 4.200 4.320 0.032 0.000 0.208 232 K C 0.482 176.973 176.600 -0.182 0.000 1.047 232 K CA 1.494 57.647 56.287 -0.224 0.000 0.928 232 K CB -0.007 32.359 32.500 -0.224 0.000 0.716 232 K HN 0.334 nan 8.250 nan 0.000 0.446 233 D N -0.368 119.962 120.400 -0.117 0.000 2.339 233 D HA -0.022 4.637 4.640 0.032 0.000 0.217 233 D C 0.093 176.359 176.300 -0.057 0.000 1.050 233 D CA 0.429 54.374 54.000 -0.091 0.000 0.856 233 D CB -0.037 40.713 40.800 -0.084 0.000 0.922 233 D HN 0.237 nan 8.370 nan 0.000 0.518 234 N N 0.535 119.216 118.700 -0.032 0.000 2.687 234 N HA 0.108 4.868 4.740 0.032 0.000 0.275 234 N C -2.223 173.344 175.510 0.094 0.000 1.789 234 N CA -1.269 51.795 53.050 0.024 0.000 0.806 234 N CB 1.183 39.696 38.487 0.042 0.000 1.256 234 N HN -0.262 nan 8.380 nan 0.000 0.500 235 P HA -0.006 nan 4.420 nan 0.000 0.219 235 P C 0.627 178.064 177.300 0.228 0.000 1.150 235 P CA 0.778 63.978 63.100 0.168 0.000 0.814 235 P CB 0.243 31.999 31.700 0.094 0.000 0.787 236 A N -1.316 121.604 122.820 0.166 0.000 2.411 236 A HA 0.014 4.353 4.320 0.032 0.000 0.251 236 A C 0.675 178.342 177.584 0.138 0.000 1.317 236 A CA -0.236 51.901 52.037 0.168 0.000 0.904 236 A CB -1.453 17.561 19.000 0.023 0.000 0.993 236 A HN 0.141 nan 8.150 nan 0.000 0.504 237 H N 0.926 120.060 119.070 0.108 0.000 3.115 237 H HA 0.041 4.616 4.556 0.032 0.000 0.324 237 H C 1.056 176.428 175.328 0.073 0.000 1.007 237 H CA 0.870 56.959 56.048 0.070 0.000 1.385 237 H CB 0.504 30.338 29.762 0.121 0.000 1.351 237 H HN 0.408 nan 8.280 nan 0.000 0.592 238 R N 3.054 123.444 120.500 -0.183 0.000 2.148 238 R HA -0.093 4.266 4.340 0.032 0.000 0.227 238 R C 1.014 177.164 176.300 -0.250 0.000 1.103 238 R CA 1.497 57.363 56.100 -0.390 0.000 0.983 238 R CB 0.256 29.941 30.300 -1.024 0.000 0.874 238 R HN 0.468 nan 8.270 nan 0.000 0.451 239 F N -1.518 118.683 119.950 0.419 0.000 2.834 239 F HA 0.296 4.842 4.527 0.032 0.000 0.332 239 F C 0.527 176.481 175.800 0.258 0.000 1.056 239 F CA -0.265 57.866 58.000 0.219 0.000 1.178 239 F CB 0.815 39.757 39.000 -0.095 0.000 1.037 239 F HN -0.331 nan 8.300 nan 0.000 0.580 240 R N 0.793 121.537 120.500 0.407 0.000 2.674 240 R HA 0.513 4.873 4.340 0.032 0.000 0.270 240 R C -0.269 176.245 176.300 0.357 0.000 1.492 240 R CA -0.345 55.947 56.100 0.320 0.000 1.624 240 R CB 0.893 31.202 30.300 0.015 0.000 1.307 240 R HN 0.028 nan 8.270 nan 0.000 0.683 241 A N 0.970 124.033 122.820 0.405 0.000 2.483 241 A HA -0.031 4.308 4.320 0.032 0.000 0.238 241 A C -0.320 177.492 177.584 0.381 0.000 1.070 241 A CA -0.020 52.227 52.037 0.349 0.000 0.770 241 A CB 0.042 19.153 19.000 0.184 0.000 1.008 241 A HN 0.551 nan 8.150 nan 0.000 0.497 242 Y N 2.213 122.635 120.300 0.204 0.000 2.497 242 Y HA 0.400 4.969 4.550 0.032 0.000 0.334 242 Y C 1.068 177.000 175.900 0.053 0.000 1.199 242 Y CA 1.152 59.354 58.100 0.170 0.000 1.425 242 Y CB 0.082 38.583 38.460 0.068 0.000 1.291 242 Y HN 1.787 nan 8.280 nan 0.000 0.562 243 G N 3.135 111.247 108.800 -1.147 0.000 2.525 243 G HA2 -0.076 3.903 3.960 0.032 0.000 0.248 243 G HA3 -0.076 3.903 3.960 0.032 0.000 0.248 243 G C -0.008 174.413 174.900 -0.799 0.000 1.238 243 G CA -0.398 43.874 45.100 -1.380 0.000 0.926 243 G HN 1.465 nan 8.290 nan 0.000 0.574 244 G N -0.758 107.602 108.800 -0.733 0.000 2.371 244 G HA2 0.680 4.659 3.960 0.032 0.000 0.326 244 G HA3 0.680 4.659 3.960 0.032 0.000 0.326 244 G C 0.083 174.888 174.900 -0.159 0.000 1.127 244 G CA 1.096 46.163 45.100 -0.055 0.000 0.885 244 G HN 1.652 nan 8.290 nan 0.000 0.477 245 T N 1.859 116.345 114.554 -0.114 0.000 2.963 245 T HA 0.486 4.855 4.350 0.032 0.000 0.343 245 T C -1.559 172.637 174.700 -0.840 0.000 1.146 245 T CA -1.715 60.109 62.100 -0.459 0.000 1.016 245 T CB 1.787 70.423 68.868 -0.387 0.000 1.046 245 T HN 0.141 nan 8.240 nan 0.000 0.496 246 P HA -0.010 nan 4.420 nan 0.000 0.217 246 P C 1.765 178.573 177.300 -0.821 0.000 1.148 246 P CA 1.088 63.184 63.100 -1.674 0.000 0.828 246 P CB -0.071 30.892 31.700 -1.229 0.000 0.783 247 G N 0.221 108.605 108.800 -0.693 0.000 2.469 247 G HA2 -0.302 3.677 3.960 0.032 0.000 0.220 247 G HA3 -0.302 3.677 3.960 0.032 0.000 0.220 247 G C 1.635 176.592 174.900 0.095 0.000 1.136 247 G CA 0.999 45.774 45.100 -0.542 0.000 0.759 247 G HN 0.342 nan 8.290 nan 0.000 0.562 248 A N 0.196 123.189 122.820 0.289 0.000 1.930 248 A HA 0.020 4.359 4.320 0.032 0.000 0.217 248 A C 2.173 180.119 177.584 0.603 0.000 1.175 248 A CA 1.569 53.902 52.037 0.494 0.000 0.627 248 A CB -0.583 18.736 19.000 0.532 0.000 0.815 248 A HN 0.455 nan 8.150 nan 0.000 0.443 249 W N -0.302 121.167 121.300 0.281 0.000 2.335 249 W HA -0.097 4.581 4.660 0.031 0.000 0.311 249 W C 2.082 178.745 176.519 0.240 0.000 1.213 249 W CA 0.442 57.952 57.345 0.274 0.000 1.274 249 W CB -1.369 28.176 29.460 0.141 0.000 1.148 249 W HN 0.347 nan 8.180 nan 0.000 0.498 250 I N 0.181 120.939 120.570 0.314 0.000 2.439 250 I HA -0.229 3.960 4.170 0.032 0.000 0.251 250 I C 2.490 178.739 176.117 0.220 0.000 1.139 250 I CA 1.509 62.920 61.300 0.185 0.000 1.438 250 I CB -0.280 37.660 38.000 -0.099 0.000 1.085 250 I HN -0.017 nan 8.210 nan 0.000 0.427 251 E N 0.158 120.494 120.200 0.228 0.000 2.077 251 E HA -0.286 4.083 4.350 0.032 0.000 0.193 251 E C 2.033 178.722 176.600 0.149 0.000 0.989 251 E CA 1.688 58.193 56.400 0.174 0.000 0.800 251 E CB -0.285 29.521 29.700 0.176 0.000 0.746 251 E HN 0.539 nan 8.360 nan 0.000 0.452 252 W N 0.460 121.849 121.300 0.147 0.000 2.325 252 W HA -0.126 4.553 4.660 0.032 0.000 0.299 252 W C 2.339 178.926 176.519 0.114 0.000 1.215 252 W CA 1.327 58.747 57.345 0.124 0.000 1.244 252 W CB -0.596 28.965 29.460 0.169 0.000 1.140 252 W HN 0.252 nan 8.180 nan 0.000 0.523 253 G N -0.115 108.909 108.800 0.374 0.000 2.446 253 G HA2 -0.317 3.663 3.960 0.032 0.000 0.217 253 G HA3 -0.317 3.663 3.960 0.032 0.000 0.217 253 G C 1.454 176.427 174.900 0.121 0.000 1.168 253 G CA 1.234 46.475 45.100 0.235 0.000 0.771 253 G HN 0.220 nan 8.290 nan 0.000 0.551 254 R N -0.023 120.541 120.500 0.107 0.000 2.073 254 R HA 0.030 4.389 4.340 0.032 0.000 0.234 254 R C 2.646 178.958 176.300 0.020 0.000 1.134 254 R CA 1.209 57.314 56.100 0.009 0.000 0.952 254 R CB -0.409 29.926 30.300 0.059 0.000 0.850 254 R HN 0.396 nan 8.270 nan 0.000 0.433 255 L N 0.176 121.468 121.223 0.116 0.000 2.042 255 L HA -0.235 4.124 4.340 0.032 0.000 0.210 255 L C 2.688 179.633 176.870 0.125 0.000 1.076 255 L CA 1.525 56.450 54.840 0.141 0.000 0.749 255 L CB -0.380 41.675 42.059 -0.008 0.000 0.893 255 L HN 0.346 nan 8.230 nan 0.000 0.432 256 M N -0.683 118.996 119.600 0.132 0.000 2.213 256 M HA -0.213 4.286 4.480 0.032 0.000 0.263 256 M C 2.192 178.482 176.300 -0.016 0.000 1.062 256 M CA 1.623 56.972 55.300 0.080 0.000 1.105 256 M CB -0.241 32.434 32.600 0.125 0.000 1.385 256 M HN 0.289 nan 8.290 nan 0.000 0.417 257 L N -1.599 119.573 121.223 -0.083 0.000 2.179 257 L HA -0.157 4.202 4.340 0.032 0.000 0.208 257 L C 2.494 179.268 176.870 -0.160 0.000 1.096 257 L CA 0.646 55.371 54.840 -0.191 0.000 0.779 257 L CB -1.006 40.860 42.059 -0.321 0.000 0.922 257 L HN 0.345 nan 8.230 nan 0.000 0.443 258 H N 0.101 119.157 119.070 -0.023 0.000 2.352 258 H HA -0.200 4.374 4.556 0.031 0.000 0.299 258 H C 2.330 177.653 175.328 -0.008 0.000 1.097 258 H CA 1.588 57.633 56.048 -0.005 0.000 1.311 258 H CB -0.119 29.642 29.762 -0.003 0.000 1.377 258 H HN 0.306 nan 8.280 nan 0.000 0.504 259 L N 0.059 121.333 121.223 0.084 0.000 2.027 259 L HA -0.218 4.141 4.340 0.032 0.000 0.206 259 L C 2.673 179.511 176.870 -0.054 0.000 1.074 259 L CA 1.508 56.342 54.840 -0.010 0.000 0.745 259 L CB -0.325 41.715 42.059 -0.031 0.000 0.898 259 L HN 0.279 nan 8.230 nan 0.000 0.433 260 H N -0.446 118.529 119.070 -0.159 0.000 2.289 260 H HA -0.246 4.329 4.556 0.031 0.000 0.296 260 H C 2.083 177.322 175.328 -0.148 0.000 1.091 260 H CA 2.192 58.127 56.048 -0.188 0.000 1.274 260 H CB -0.021 29.619 29.762 -0.203 0.000 1.364 260 H HN 0.462 nan 8.280 nan 0.000 0.490 261 A N 0.744 123.630 122.820 0.110 0.000 1.933 261 A HA -0.067 4.272 4.320 0.032 0.000 0.218 261 A C 2.602 180.178 177.584 -0.012 0.000 1.175 261 A CA 1.513 53.586 52.037 0.059 0.000 0.628 261 A CB -1.267 17.763 19.000 0.049 0.000 0.814 261 A HN 0.665 nan 8.150 nan 0.000 0.444 262 A N -0.175 122.645 122.820 -0.000 0.000 1.902 262 A HA -0.065 4.275 4.320 0.032 0.000 0.217 262 A C 2.170 179.706 177.584 -0.080 0.000 1.181 262 A CA 1.548 53.588 52.037 0.006 0.000 0.623 262 A CB -0.576 18.405 19.000 -0.032 0.000 0.818 262 A HN 0.480 nan 8.150 nan 0.000 0.443 263 L N -0.884 120.241 121.223 -0.163 0.000 2.027 263 L HA -0.183 4.176 4.340 0.032 0.000 0.206 263 L C 2.608 179.355 176.870 -0.205 0.000 1.074 263 L CA 1.569 56.291 54.840 -0.196 0.000 0.745 263 L CB -0.640 41.267 42.059 -0.253 0.000 0.898 263 L HN 0.455 nan 8.230 nan 0.000 0.433 264 E N 0.263 120.316 120.200 -0.246 0.000 2.118 264 E HA -0.249 4.120 4.350 0.032 0.000 0.195 264 E C 2.265 178.659 176.600 -0.344 0.000 0.992 264 E CA 1.168 57.411 56.400 -0.262 0.000 0.804 264 E CB -0.188 29.387 29.700 -0.207 0.000 0.741 264 E HN 0.507 nan 8.360 nan 0.000 0.458 265 A N 1.865 124.526 122.820 -0.264 0.000 2.024 265 A HA -0.195 4.145 4.320 0.032 0.000 0.220 265 A C 1.952 179.288 177.584 -0.413 0.000 1.164 265 A CA 1.453 53.307 52.037 -0.304 0.000 0.643 265 A CB -0.470 18.460 19.000 -0.115 0.000 0.806 265 A HN 0.252 nan 8.150 nan 0.000 0.451 266 R N -2.959 117.384 120.500 -0.262 0.000 2.552 266 R HA 0.443 4.802 4.340 0.032 0.000 0.314 266 R C -0.468 175.864 176.300 0.053 0.000 1.041 266 R CA -0.265 55.783 56.100 -0.085 0.000 1.076 266 R CB -0.700 29.604 30.300 0.007 0.000 1.290 266 R HN 0.149 nan 8.270 nan 0.000 0.563 267 F N 0.049 119.973 119.950 -0.043 0.000 3.074 267 F HA -0.261 4.284 4.527 0.030 0.000 0.289 267 F C -0.047 175.718 175.800 -0.058 0.000 0.863 267 F CA 0.974 58.946 58.000 -0.047 0.000 1.121 267 F CB -1.566 37.414 39.000 -0.034 0.000 1.169 267 F HN 0.426 nan 8.300 nan 0.000 0.570 268 E N 0.364 120.563 120.200 -0.002 0.000 2.151 268 E HA 0.360 4.730 4.350 0.032 0.000 0.275 268 E C -0.058 176.477 176.600 -0.108 0.000 0.936 268 E CA -0.549 55.828 56.400 -0.038 0.000 0.777 268 E CB 1.205 30.870 29.700 -0.058 0.000 1.108 268 E HN 0.081 nan 8.360 nan 0.000 0.401 269 T N 6.550 121.049 114.554 -0.092 0.000 2.784 269 T HA 0.152 4.521 4.350 0.032 0.000 0.291 269 T C -2.247 172.333 174.700 -0.201 0.000 0.942 269 T CA -1.040 60.979 62.100 -0.134 0.000 1.161 269 T CB 0.328 69.147 68.868 -0.081 0.000 0.885 269 T HN 0.336 nan 8.240 nan 0.000 0.534 270 P HA 0.265 nan 4.420 nan 0.000 0.271 270 P C -2.477 174.636 177.300 -0.311 0.000 1.218 270 P CA -1.581 61.279 63.100 -0.399 0.000 0.780 270 P CB -0.441 30.821 31.700 -0.730 0.000 0.901 271 P HA 0.024 nan 4.420 nan 0.000 0.265 271 P C 0.558 177.651 177.300 -0.346 0.000 1.193 271 P CA 0.148 63.053 63.100 -0.325 0.000 0.765 271 P CB 0.331 31.715 31.700 -0.527 0.000 0.823 272 A N 4.394 127.137 122.820 -0.128 0.000 2.019 272 A HA -0.137 4.203 4.320 0.032 0.000 0.219 272 A C 1.784 179.367 177.584 -0.002 0.000 1.164 272 A CA 0.984 53.000 52.037 -0.034 0.000 0.644 272 A CB -1.330 17.693 19.000 0.038 0.000 0.805 272 A HN 0.850 nan 8.150 nan 0.000 0.449 273 W N -0.077 121.186 121.300 -0.063 0.000 2.465 273 W HA -0.058 4.622 4.660 0.034 0.000 0.268 273 W C 1.140 177.651 176.519 -0.013 0.000 1.242 273 W CA 0.662 57.967 57.345 -0.067 0.000 1.248 273 W CB -0.983 28.251 29.460 -0.377 0.000 1.118 273 W HN 0.247 nan 8.180 nan 0.000 0.587 274 L N 0.890 121.826 121.223 -0.478 0.000 1.989 274 L HA -0.270 4.090 4.340 0.032 0.000 0.211 274 L C 2.815 179.640 176.870 -0.076 0.000 1.071 274 L CA 1.409 56.043 54.840 -0.344 0.000 0.749 274 L CB -1.201 40.596 42.059 -0.436 0.000 0.890 274 L HN 0.025 nan 8.230 nan 0.000 0.431 275 L N -0.159 121.017 121.223 -0.079 0.000 2.056 275 L HA -0.173 4.187 4.340 0.032 0.000 0.207 275 L C 2.396 179.244 176.870 -0.036 0.000 1.078 275 L CA 1.713 56.482 54.840 -0.119 0.000 0.749 275 L CB -0.529 41.429 42.059 -0.168 0.000 0.901 275 L HN 0.205 nan 8.230 nan 0.000 0.433 276 E N -0.496 119.732 120.200 0.046 0.000 2.058 276 E HA -0.232 4.137 4.350 0.032 0.000 0.194 276 E C 1.733 178.388 176.600 0.091 0.000 0.997 276 E CA 1.526 57.981 56.400 0.091 0.000 0.801 276 E CB -0.157 29.652 29.700 0.182 0.000 0.746 276 E HN 0.536 nan 8.360 nan 0.000 0.450 277 D N 0.176 120.704 120.400 0.213 0.000 2.183 277 D HA -0.058 4.602 4.640 0.032 0.000 0.203 277 D C 1.833 178.163 176.300 0.051 0.000 0.969 277 D CA 1.048 55.199 54.000 0.252 0.000 0.842 277 D CB -0.242 40.885 40.800 0.544 0.000 0.957 277 D HN 0.157 nan 8.370 nan 0.000 0.484 278 A N 1.294 124.150 122.820 0.060 0.000 1.877 278 A HA -0.235 4.104 4.320 0.032 0.000 0.216 278 A C 2.058 179.643 177.584 0.002 0.000 1.186 278 A CA 1.526 53.582 52.037 0.033 0.000 0.620 278 A CB -0.399 18.579 19.000 -0.037 0.000 0.822 278 A HN 0.136 nan 8.150 nan 0.000 0.443 279 K N -0.867 119.502 120.400 -0.052 0.000 2.009 279 K HA -0.134 4.205 4.320 0.032 0.000 0.210 279 K C 2.151 178.736 176.600 -0.026 0.000 1.049 279 K CA 1.299 57.585 56.287 -0.002 0.000 0.929 279 K CB -0.561 31.935 32.500 -0.006 0.000 0.714 279 K HN 0.475 nan 8.250 nan 0.000 0.440 280 G N 1.288 109.862 108.800 -0.378 0.000 2.418 280 G HA2 -0.228 3.751 3.960 0.032 0.000 0.217 280 G HA3 -0.228 3.751 3.960 0.032 0.000 0.217 280 G C 1.496 176.072 174.900 -0.541 0.000 1.158 280 G CA 0.675 45.224 45.100 -0.919 0.000 0.771 280 G HN 0.092 nan 8.290 nan 0.000 0.545 281 L N -0.982 120.067 121.223 -0.289 0.000 2.056 281 L HA 0.045 4.404 4.340 0.032 0.000 0.207 281 L C 2.530 179.554 176.870 0.256 0.000 1.078 281 L CA 0.970 55.881 54.840 0.118 0.000 0.749 281 L CB -0.429 41.765 42.059 0.226 0.000 0.901 281 L HN 0.248 nan 8.230 nan 0.000 0.433 282 F N 0.061 120.073 119.950 0.103 0.000 2.075 282 F HA -0.297 4.249 4.527 0.033 0.000 0.297 282 F C 2.895 178.793 175.800 0.164 0.000 1.113 282 F CA 1.991 60.077 58.000 0.143 0.000 1.218 282 F CB -0.394 38.706 39.000 0.166 0.000 0.984 282 F HN 0.153 nan 8.300 nan 0.000 0.472 283 H N 0.442 119.715 119.070 0.337 0.000 2.319 283 H HA -0.166 4.409 4.556 0.032 0.000 0.299 283 H C 2.077 177.498 175.328 0.155 0.000 1.092 283 H CA 1.718 57.899 56.048 0.223 0.000 1.302 283 H CB -0.493 29.387 29.762 0.195 0.000 1.373 283 H HN 0.375 nan 8.280 nan 0.000 0.497 284 A N 0.255 123.232 122.820 0.262 0.000 1.933 284 A HA -0.142 4.197 4.320 0.032 0.000 0.218 284 A C 2.672 180.456 177.584 0.333 0.000 1.175 284 A CA 2.015 54.230 52.037 0.296 0.000 0.628 284 A CB -1.014 18.210 19.000 0.373 0.000 0.814 284 A HN 0.565 nan 8.150 nan 0.000 0.444 285 T N 0.250 114.969 114.554 0.275 0.000 2.708 285 T HA -0.093 4.276 4.350 0.032 0.000 0.266 285 T C 1.798 176.531 174.700 0.055 0.000 1.037 285 T CA 1.548 63.697 62.100 0.082 0.000 1.146 285 T CB -0.367 68.407 68.868 -0.157 0.000 0.865 285 T HN 0.428 nan 8.240 nan 0.000 0.435 286 I N 0.576 121.111 120.570 -0.060 0.000 2.252 286 I HA -0.136 4.053 4.170 0.032 0.000 0.245 286 I C 2.841 178.975 176.117 0.027 0.000 1.102 286 I CA 1.068 62.343 61.300 -0.041 0.000 1.385 286 I CB -0.348 37.419 38.000 -0.389 0.000 1.064 286 I HN 0.139 nan 8.210 nan 0.000 0.414 287 R N 1.026 121.483 120.500 -0.072 0.000 2.094 287 R HA -0.238 4.121 4.340 0.032 0.000 0.239 287 R C 1.628 177.967 176.300 0.064 0.000 1.137 287 R CA 2.473 58.549 56.100 -0.041 0.000 0.943 287 R CB -0.195 30.027 30.300 -0.131 0.000 0.850 287 R HN 0.320 nan 8.270 nan 0.000 0.433 288 D N -1.145 119.321 120.400 0.110 0.000 2.240 288 D HA 0.042 4.701 4.640 0.032 0.000 0.206 288 D C 1.199 177.519 176.300 0.033 0.000 0.963 288 D CA 1.303 55.364 54.000 0.102 0.000 0.863 288 D CB 0.344 41.256 40.800 0.187 0.000 0.973 288 D HN 0.410 nan 8.370 nan 0.000 0.501 289 A N -0.589 122.259 122.820 0.046 0.000 2.259 289 A HA 0.061 4.401 4.320 0.032 0.000 0.213 289 A C 0.488 178.107 177.584 0.057 0.000 1.209 289 A CA -0.445 51.614 52.037 0.037 0.000 0.910 289 A CB -0.062 18.930 19.000 -0.012 0.000 0.946 289 A HN 0.243 nan 8.150 nan 0.000 0.497 290 W N 1.088 122.295 121.300 -0.155 0.000 2.345 290 W HA 0.390 5.071 4.660 0.034 0.000 0.308 290 W C 0.432 176.808 176.519 -0.239 0.000 1.273 290 W CA -0.113 56.944 57.345 -0.480 0.000 1.243 290 W CB 0.340 29.487 29.460 -0.521 0.000 1.260 290 W HN 0.696 nan 8.180 nan 0.000 0.509 291 A N 6.614 128.698 122.820 -1.227 0.000 2.462 291 A HA -0.234 4.105 4.320 0.032 0.000 0.294 291 A C -1.597 175.773 177.584 -0.358 0.000 1.461 291 A CA 0.935 52.462 52.037 -0.850 0.000 0.765 291 A CB -1.543 16.906 19.000 -0.918 0.000 1.071 291 A HN 0.592 nan 8.150 nan 0.000 0.401 292 P HA 0.095 nan 4.420 nan 0.000 0.251 292 P C 0.155 177.394 177.300 -0.103 0.000 1.223 292 P CA 1.308 64.333 63.100 -0.125 0.000 0.796 292 P CB 0.187 31.831 31.700 -0.092 0.000 1.068 293 D N -1.830 118.488 120.400 -0.137 0.000 2.740 293 D HA 0.265 4.924 4.640 0.032 0.000 0.301 293 D C 1.105 177.343 176.300 -0.104 0.000 1.408 293 D CA -0.418 53.520 54.000 -0.103 0.000 0.808 293 D CB -0.475 40.264 40.800 -0.102 0.000 1.128 293 D HN 0.119 nan 8.370 nan 0.000 0.465 294 G N -0.823 107.913 108.800 -0.106 0.000 2.159 294 G HA2 0.077 4.056 3.960 0.032 0.000 0.256 294 G HA3 0.077 4.056 3.960 0.032 0.000 0.256 294 G C 0.314 175.152 174.900 -0.102 0.000 0.977 294 G CA 0.069 45.118 45.100 -0.085 0.000 0.652 294 G HN 1.082 nan 8.290 nan 0.000 0.531 295 A N -0.696 122.028 122.820 -0.160 0.000 2.556 295 A HA 0.693 5.033 4.320 0.032 0.000 0.294 295 A C -0.502 176.897 177.584 -0.309 0.000 1.091 295 A CA -0.264 51.669 52.037 -0.174 0.000 0.704 295 A CB 1.139 20.043 19.000 -0.161 0.000 1.300 295 A HN 0.091 nan 8.150 nan 0.000 0.406 296 D N 0.038 120.281 120.400 -0.262 0.000 2.362 296 D HA 0.498 5.157 4.640 0.032 0.000 0.238 296 D C 0.748 176.618 176.300 -0.717 0.000 1.212 296 D CA 2.011 55.704 54.000 -0.512 0.000 0.902 296 D CB 0.864 41.702 40.800 0.065 0.000 1.180 296 D HN 1.507 nan 8.370 nan 0.000 0.445 297 G N -0.569 107.239 108.800 -1.652 0.000 2.515 297 G HA2 -0.044 3.935 3.960 0.032 0.000 0.686 297 G HA3 -0.044 3.935 3.960 0.032 0.000 0.686 297 G C -1.247 173.052 174.900 -1.002 0.000 1.274 297 G CA -1.056 43.329 45.100 -1.192 0.000 0.874 297 G HN 0.253 nan 8.290 nan 0.000 0.631 298 F N 0.777 120.491 119.950 -0.393 0.000 2.410 298 F HA 0.519 5.065 4.527 0.031 0.000 0.349 298 F C 1.439 177.077 175.800 -0.270 0.000 1.117 298 F CA -0.180 57.649 58.000 -0.285 0.000 1.104 298 F CB 1.694 40.508 39.000 -0.311 0.000 1.122 298 F HN 0.578 nan 8.300 nan 0.000 0.483 299 V N 1.810 121.688 119.914 -0.060 0.000 3.237 299 V HA -0.049 4.090 4.120 0.032 0.000 0.305 299 V C 0.535 176.594 176.094 -0.057 0.000 1.096 299 V CA -0.250 62.011 62.300 -0.065 0.000 1.130 299 V CB 0.420 32.194 31.823 -0.082 0.000 1.048 299 V HN 0.840 nan 8.190 nan 0.000 0.484 300 Y N 1.848 122.052 120.300 -0.161 0.000 2.269 300 Y HA 0.211 4.780 4.550 0.032 0.000 0.294 300 Y C 1.446 177.237 175.900 -0.181 0.000 1.120 300 Y CA 0.920 58.913 58.100 -0.179 0.000 1.159 300 Y CB 0.043 38.452 38.460 -0.085 0.000 1.024 300 Y HN 1.016 nan 8.280 nan 0.000 0.532 301 S N -0.144 115.457 115.700 -0.165 0.000 2.588 301 S HA 0.706 5.195 4.470 0.032 0.000 0.275 301 S C -1.084 173.413 174.600 -0.171 0.000 1.130 301 S CA -0.214 57.835 58.200 -0.253 0.000 0.855 301 S CB 1.800 64.908 63.200 -0.154 0.000 1.116 301 S HN 0.517 nan 8.310 nan 0.000 0.472 302 V N -0.925 118.861 119.914 -0.214 0.000 3.078 302 V HA 0.822 4.961 4.120 0.032 0.000 0.311 302 V C -0.688 175.271 176.094 -0.225 0.000 1.138 302 V CA -0.980 61.234 62.300 -0.143 0.000 1.007 302 V CB 1.469 33.240 31.823 -0.086 0.000 1.045 302 V HN 1.094 nan 8.190 nan 0.000 0.432 303 D N 1.374 121.690 120.400 -0.141 0.000 2.414 303 D HA 0.165 4.824 4.640 0.032 0.000 0.259 303 D C 0.553 176.703 176.300 -0.251 0.000 1.269 303 D CA -0.481 53.375 54.000 -0.240 0.000 1.028 303 D CB 0.403 41.214 40.800 0.019 0.000 1.093 303 D HN 0.720 nan 8.370 nan 0.000 0.545 304 W N -1.185 120.170 121.300 0.092 0.000 2.825 304 W HA 0.074 4.753 4.660 0.032 0.000 0.243 304 W C 0.781 177.339 176.519 0.064 0.000 1.293 304 W CA -0.154 57.225 57.345 0.058 0.000 1.403 304 W CB 0.216 29.687 29.460 0.019 0.000 1.134 304 W HN 0.228 nan 8.180 nan 0.000 0.666 305 D N -0.709 119.826 120.400 0.225 0.000 2.369 305 D HA 0.125 4.785 4.640 0.032 0.000 0.211 305 D C 1.892 178.277 176.300 0.141 0.000 1.077 305 D CA 0.943 55.042 54.000 0.165 0.000 0.842 305 D CB 0.325 41.202 40.800 0.127 0.000 0.947 305 D HN 0.210 nan 8.370 nan 0.000 0.509 306 G N 1.582 110.469 108.800 0.146 0.000 2.157 306 G HA2 -0.287 3.692 3.960 0.032 0.000 0.248 306 G HA3 -0.287 3.692 3.960 0.032 0.000 0.248 306 G C 0.245 175.191 174.900 0.078 0.000 0.979 306 G CA -0.218 44.969 45.100 0.145 0.000 0.650 306 G HN 0.278 nan 8.290 nan 0.000 0.529 307 K N 1.337 121.769 120.400 0.054 0.000 2.276 307 K HA 0.400 4.739 4.320 0.032 0.000 0.283 307 K C -2.439 174.162 176.600 0.002 0.000 1.044 307 K CA -1.753 54.552 56.287 0.028 0.000 0.944 307 K CB 1.017 33.538 32.500 0.035 0.000 1.012 307 K HN 0.042 nan 8.250 nan 0.000 0.472 308 P HA -0.038 nan 4.420 nan 0.000 0.265 308 P C -0.075 177.218 177.300 -0.012 0.000 1.187 308 P CA 0.463 63.544 63.100 -0.030 0.000 0.766 308 P CB 0.561 32.236 31.700 -0.041 0.000 0.820 309 I N 1.439 122.006 120.570 -0.004 0.000 3.744 309 I HA 0.044 4.233 4.170 0.032 0.000 0.240 309 I C 0.247 176.384 176.117 0.034 0.000 1.096 309 I CA 0.227 61.543 61.300 0.027 0.000 1.558 309 I CB -0.043 38.002 38.000 0.076 0.000 1.531 309 I HN -0.035 nan 8.210 nan 0.000 0.459 310 V N 2.938 122.894 119.914 0.069 0.000 2.389 310 V HA 0.187 4.326 4.120 0.032 0.000 0.264 310 V C 0.868 177.003 176.094 0.068 0.000 1.049 310 V CA 0.040 62.399 62.300 0.098 0.000 0.932 310 V CB 0.743 32.706 31.823 0.232 0.000 1.011 310 V HN 0.308 nan 8.190 nan 0.000 0.475 311 R N 1.824 122.332 120.500 0.014 0.000 2.317 311 R HA 0.139 4.498 4.340 0.032 0.000 0.208 311 R C 0.247 176.527 176.300 -0.035 0.000 0.914 311 R CA -0.218 55.868 56.100 -0.023 0.000 1.060 311 R CB 0.312 30.584 30.300 -0.046 0.000 1.015 311 R HN 0.633 nan 8.270 nan 0.000 0.498 312 E N 1.283 121.470 120.200 -0.022 0.000 2.437 312 E HA -0.037 4.333 4.350 0.032 0.000 0.263 312 E C -0.393 176.190 176.600 -0.030 0.000 1.030 312 E CA 0.523 56.898 56.400 -0.041 0.000 0.934 312 E CB 0.436 30.099 29.700 -0.062 0.000 0.943 312 E HN -0.159 nan 8.360 nan 0.000 0.444 313 R N 1.706 122.186 120.500 -0.033 0.000 2.287 313 R HA 0.268 4.627 4.340 0.032 0.000 0.327 313 R C -0.927 175.377 176.300 0.006 0.000 1.109 313 R CA -0.341 55.753 56.100 -0.010 0.000 1.013 313 R CB 0.457 30.779 30.300 0.037 0.000 1.126 313 R HN 0.211 nan 8.270 nan 0.000 0.503 314 V N 3.173 123.060 119.914 -0.045 0.000 2.834 314 V HA 0.179 4.318 4.120 0.032 0.000 0.301 314 V C 1.866 177.900 176.094 -0.100 0.000 1.066 314 V CA -0.470 61.792 62.300 -0.064 0.000 1.052 314 V CB 1.512 33.268 31.823 -0.111 0.000 1.021 314 V HN 0.724 nan 8.190 nan 0.000 0.480 315 R N 2.330 122.813 120.500 -0.027 0.000 2.066 315 R HA -0.121 4.238 4.340 0.032 0.000 0.232 315 R C 2.250 178.501 176.300 -0.082 0.000 1.131 315 R CA 2.287 58.408 56.100 0.035 0.000 0.955 315 R CB -0.157 30.204 30.300 0.101 0.000 0.851 315 R HN 0.961 nan 8.270 nan 0.000 0.432 316 W N 0.723 121.898 121.300 -0.209 0.000 2.363 316 W HA 0.010 4.688 4.660 0.031 0.000 0.296 316 W C -1.346 175.003 176.519 -0.283 0.000 1.212 316 W CA 0.330 57.432 57.345 -0.405 0.000 1.260 316 W CB -1.941 26.979 29.460 -0.901 0.000 1.131 316 W HN 0.075 nan 8.180 nan 0.000 0.530 317 P HA -0.209 nan 4.420 nan 0.000 0.215 317 P C 2.113 179.051 177.300 -0.604 0.000 1.157 317 P CA 2.241 64.793 63.100 -0.914 0.000 0.868 317 P CB -0.379 30.721 31.700 -1.000 0.000 0.788 318 I N -1.164 119.180 120.570 -0.375 0.000 2.439 318 I HA -0.165 4.024 4.170 0.032 0.000 0.251 318 I C 1.805 177.801 176.117 -0.202 0.000 1.139 318 I CA 1.045 62.174 61.300 -0.285 0.000 1.438 318 I CB -0.086 37.891 38.000 -0.038 0.000 1.085 318 I HN -0.221 nan 8.210 nan 0.000 0.427 319 V N 1.120 120.979 119.914 -0.092 0.000 2.295 319 V HA -0.244 3.895 4.120 0.032 0.000 0.246 319 V C 2.483 178.607 176.094 0.049 0.000 1.049 319 V CA 1.783 64.064 62.300 -0.031 0.000 1.024 319 V CB -0.705 31.074 31.823 -0.073 0.000 0.648 319 V HN 0.424 nan 8.190 nan 0.000 0.447 320 E N 0.317 120.550 120.200 0.054 0.000 2.077 320 E HA -0.173 4.196 4.350 0.032 0.000 0.193 320 E C 2.378 179.008 176.600 0.050 0.000 0.989 320 E CA 1.469 57.949 56.400 0.134 0.000 0.800 320 E CB -0.630 29.197 29.700 0.213 0.000 0.746 320 E HN 0.565 nan 8.360 nan 0.000 0.452 321 A N 1.028 123.729 122.820 -0.198 0.000 1.908 321 A HA -0.214 4.125 4.320 0.032 0.000 0.218 321 A C 2.305 180.053 177.584 0.273 0.000 1.181 321 A CA 2.010 53.876 52.037 -0.286 0.000 0.627 321 A CB -0.568 17.737 19.000 -1.160 0.000 0.818 321 A HN 0.195 nan 8.150 nan 0.000 0.445 322 M N -0.640 119.154 119.600 0.324 0.000 2.117 322 M HA -0.065 4.434 4.480 0.032 0.000 0.262 322 M C 2.301 179.012 176.300 0.684 0.000 1.065 322 M CA 1.440 57.148 55.300 0.681 0.000 1.114 322 M CB -0.562 32.266 32.600 0.381 0.000 1.361 322 M HN 0.485 nan 8.290 nan 0.000 0.408 323 G N -0.472 108.599 108.800 0.452 0.000 2.418 323 G HA2 -0.188 3.791 3.960 0.032 0.000 0.217 323 G HA3 -0.188 3.791 3.960 0.032 0.000 0.217 323 G C 1.490 176.607 174.900 0.362 0.000 1.158 323 G CA 1.531 46.871 45.100 0.401 0.000 0.771 323 G HN 0.400 nan 8.290 nan 0.000 0.545 324 T N 1.655 116.411 114.554 0.336 0.000 2.821 324 T HA 0.092 4.461 4.350 0.032 0.000 0.267 324 T C 2.811 177.663 174.700 0.253 0.000 1.046 324 T CA 1.288 63.551 62.100 0.272 0.000 1.139 324 T CB -0.330 68.739 68.868 0.336 0.000 0.871 324 T HN 0.372 nan 8.240 nan 0.000 0.454 325 A N 1.041 124.201 122.820 0.565 0.000 1.892 325 A HA -0.170 4.170 4.320 0.032 0.000 0.218 325 A C 2.087 179.844 177.584 0.289 0.000 1.188 325 A CA 1.865 54.216 52.037 0.524 0.000 0.631 325 A CB -1.144 18.419 19.000 0.937 0.000 0.822 325 A HN 0.586 nan 8.150 nan 0.000 0.447 326 Y N 0.665 121.047 120.300 0.138 0.000 2.097 326 Y HA -0.131 4.436 4.550 0.029 0.000 0.282 326 Y C 2.668 178.369 175.900 -0.332 0.000 1.152 326 Y CA 1.452 59.297 58.100 -0.424 0.000 1.136 326 Y CB -0.757 37.484 38.460 -0.365 0.000 0.975 326 Y HN 0.311 nan 8.280 nan 0.000 0.498 327 A N 0.410 123.043 122.820 -0.312 0.000 1.883 327 A HA -0.190 4.149 4.320 0.032 0.000 0.217 327 A C 2.379 179.647 177.584 -0.527 0.000 1.186 327 A CA 2.014 53.773 52.037 -0.463 0.000 0.624 327 A CB -1.238 17.582 19.000 -0.299 0.000 0.822 327 A HN 0.579 nan 8.150 nan 0.000 0.444 328 L N -2.272 118.625 121.223 -0.543 0.000 2.056 328 L HA -0.172 4.187 4.340 0.032 0.000 0.207 328 L C 2.569 179.042 176.870 -0.662 0.000 1.078 328 L CA 1.653 56.009 54.840 -0.805 0.000 0.749 328 L CB -0.545 40.608 42.059 -1.509 0.000 0.901 328 L HN 0.617 nan 8.230 nan 0.000 0.433 329 Y N 0.771 120.752 120.300 -0.531 0.000 2.165 329 Y HA -0.315 4.252 4.550 0.029 0.000 0.286 329 Y C 2.590 178.282 175.900 -0.347 0.000 1.155 329 Y CA 2.225 60.184 58.100 -0.235 0.000 1.164 329 Y CB -0.530 37.877 38.460 -0.087 0.000 0.978 329 Y HN 0.070 nan 8.280 nan 0.000 0.513 330 T N 1.325 115.537 114.554 -0.569 0.000 2.746 330 T HA -0.162 4.207 4.350 0.032 0.000 0.267 330 T C 1.910 176.327 174.700 -0.471 0.000 1.039 330 T CA 1.762 63.509 62.100 -0.587 0.000 1.142 330 T CB -0.346 68.094 68.868 -0.713 0.000 0.866 330 T HN 0.319 nan 8.240 nan 0.000 0.444 331 L N 0.956 121.905 121.223 -0.457 0.000 2.270 331 L HA 0.046 4.405 4.340 0.032 0.000 0.210 331 L C 2.825 179.506 176.870 -0.314 0.000 1.104 331 L CA 1.529 56.138 54.840 -0.386 0.000 0.804 331 L CB -0.956 40.827 42.059 -0.460 0.000 0.937 331 L HN 0.466 nan 8.230 nan 0.000 0.450 332 T N -5.886 108.478 114.554 -0.317 0.000 3.000 332 T HA 0.012 4.382 4.350 0.032 0.000 0.248 332 T C 0.903 175.487 174.700 -0.194 0.000 1.034 332 T CA 0.480 62.466 62.100 -0.190 0.000 1.060 332 T CB 0.320 69.153 68.868 -0.059 0.000 0.983 332 T HN 0.133 nan 8.240 nan 0.000 0.482 333 D N 1.153 121.323 120.400 -0.385 0.000 3.059 333 D HA -0.148 4.512 4.640 0.032 0.000 0.220 333 D C -0.675 175.527 176.300 -0.163 0.000 1.169 333 D CA 1.010 54.725 54.000 -0.474 0.000 0.902 333 D CB -1.421 39.224 40.800 -0.258 0.000 1.116 333 D HN 0.592 nan 8.370 nan 0.000 0.417 334 D N -0.800 119.608 120.400 0.014 0.000 2.316 334 D HA 0.232 4.891 4.640 0.032 0.000 0.245 334 D C 1.341 177.810 176.300 0.281 0.000 1.171 334 D CA 0.529 54.613 54.000 0.141 0.000 0.856 334 D CB 0.943 41.823 40.800 0.134 0.000 1.090 334 D HN 0.120 nan 8.370 nan 0.000 0.476 335 S N 3.080 118.906 115.700 0.209 0.000 2.442 335 S HA -0.301 4.188 4.470 0.032 0.000 0.236 335 S C 1.748 176.368 174.600 0.034 0.000 1.007 335 S CA 1.287 59.600 58.200 0.188 0.000 0.965 335 S CB -0.445 62.807 63.200 0.086 0.000 0.773 335 S HN 0.722 nan 8.310 nan 0.000 0.504 336 Q N 0.463 120.221 119.800 -0.071 0.000 2.152 336 Q HA -0.229 4.130 4.340 0.032 0.000 0.206 336 Q C 1.739 177.683 176.000 -0.093 0.000 0.985 336 Q CA 1.758 57.447 55.803 -0.189 0.000 0.863 336 Q CB -0.977 27.602 28.738 -0.266 0.000 0.904 336 Q HN 0.718 nan 8.270 nan 0.000 0.422 337 Y N 1.167 121.573 120.300 0.176 0.000 2.200 337 Y HA -0.157 4.411 4.550 0.031 0.000 0.290 337 Y C 2.475 178.516 175.900 0.235 0.000 1.137 337 Y CA 1.372 59.604 58.100 0.220 0.000 1.163 337 Y CB -0.059 38.473 38.460 0.120 0.000 0.988 337 Y HN 0.286 nan 8.280 nan 0.000 0.518 338 E N 0.738 121.084 120.200 0.243 0.000 2.110 338 E HA -0.231 4.138 4.350 0.032 0.000 0.193 338 E C 1.719 178.129 176.600 -0.318 0.000 0.988 338 E CA 1.419 57.690 56.400 -0.216 0.000 0.804 338 E CB 0.006 29.386 29.700 -0.533 0.000 0.745 338 E HN 0.562 nan 8.360 nan 0.000 0.458 339 E N -0.407 119.614 120.200 -0.299 0.000 2.077 339 E HA -0.199 4.171 4.350 0.032 0.000 0.193 339 E C 1.757 178.024 176.600 -0.554 0.000 0.989 339 E CA 1.291 57.412 56.400 -0.465 0.000 0.800 339 E CB -0.226 29.180 29.700 -0.490 0.000 0.746 339 E HN 0.437 nan 8.360 nan 0.000 0.452 340 W N 0.184 121.199 121.300 -0.475 0.000 2.355 340 W HA -0.220 4.458 4.660 0.031 0.000 0.309 340 W C 2.316 178.253 176.519 -0.971 0.000 1.206 340 W CA 1.027 57.795 57.345 -0.962 0.000 1.284 340 W CB -0.523 28.368 29.460 -0.948 0.000 1.145 340 W HN 0.162 nan 8.180 nan 0.000 0.502 341 Y N 1.455 121.628 120.300 -0.211 0.000 2.114 341 Y HA -0.368 4.201 4.550 0.033 0.000 0.282 341 Y C 2.357 178.251 175.900 -0.009 0.000 1.165 341 Y CA 2.436 60.589 58.100 0.089 0.000 1.148 341 Y CB -0.775 37.777 38.460 0.154 0.000 0.972 341 Y HN 0.048 nan 8.280 nan 0.000 0.504 342 Q N 0.102 119.692 119.800 -0.351 0.000 2.050 342 Q HA -0.223 4.136 4.340 0.032 0.000 0.202 342 Q C 2.380 178.190 176.000 -0.317 0.000 0.980 342 Q CA 1.866 57.265 55.803 -0.673 0.000 0.840 342 Q CB -0.280 27.779 28.738 -1.133 0.000 0.898 342 Q HN 0.430 nan 8.270 nan 0.000 0.424 343 K N -0.013 120.165 120.400 -0.370 0.000 2.063 343 K HA -0.187 4.152 4.320 0.032 0.000 0.208 343 K C 1.689 178.323 176.600 0.058 0.000 1.048 343 K CA 1.386 57.531 56.287 -0.237 0.000 0.928 343 K CB -0.014 32.194 32.500 -0.486 0.000 0.713 343 K HN 0.277 nan 8.250 nan 0.000 0.442 344 W N -0.119 121.199 121.300 0.029 0.000 2.388 344 W HA -0.111 4.568 4.660 0.031 0.000 0.294 344 W C 1.891 178.483 176.519 0.122 0.000 1.212 344 W CA 0.122 57.506 57.345 0.064 0.000 1.271 344 W CB -1.391 28.075 29.460 0.010 0.000 1.126 344 W HN 0.244 nan 8.180 nan 0.000 0.535 345 W N 1.126 122.565 121.300 0.230 0.000 2.338 345 W HA -0.234 4.446 4.660 0.033 0.000 0.304 345 W C 2.122 178.739 176.519 0.162 0.000 1.212 345 W CA 1.370 58.819 57.345 0.174 0.000 1.264 345 W CB -0.383 29.159 29.460 0.137 0.000 1.142 345 W HN -0.236 nan 8.180 nan 0.000 0.512 346 D N -1.242 119.403 120.400 0.408 0.000 2.117 346 D HA -0.255 4.405 4.640 0.032 0.000 0.197 346 D C 1.601 178.058 176.300 0.262 0.000 0.987 346 D CA 1.476 55.634 54.000 0.264 0.000 0.829 346 D CB -1.003 39.901 40.800 0.174 0.000 0.961 346 D HN 0.246 nan 8.370 nan 0.000 0.460 347 Y N 1.101 121.556 120.300 0.259 0.000 2.165 347 Y HA -0.301 4.268 4.550 0.031 0.000 0.286 347 Y C 2.422 178.468 175.900 0.244 0.000 1.155 347 Y CA 1.484 59.779 58.100 0.324 0.000 1.164 347 Y CB -0.319 38.445 38.460 0.506 0.000 0.978 347 Y HN -0.010 nan 8.280 nan 0.000 0.513 348 C N 0.147 119.691 119.300 0.407 0.000 2.432 348 C HA -0.197 4.282 4.460 0.032 0.000 0.277 348 C C 2.730 177.643 174.990 -0.128 0.000 1.249 348 C CA 1.363 60.452 59.018 0.119 0.000 1.725 348 C CB -1.389 26.350 27.740 -0.002 0.000 2.028 348 C HN 0.751 nan 8.230 nan 0.000 0.477 349 I N 0.642 121.220 120.570 0.014 0.000 2.394 349 I HA -0.186 4.004 4.170 0.032 0.000 0.251 349 I C 2.563 178.610 176.117 -0.116 0.000 1.136 349 I CA 1.488 62.763 61.300 -0.043 0.000 1.425 349 I CB -0.378 37.671 38.000 0.081 0.000 1.079 349 I HN 0.325 nan 8.210 nan 0.000 0.425 350 K N -0.173 120.105 120.400 -0.202 0.000 2.057 350 K HA -0.189 4.150 4.320 0.032 0.000 0.206 350 K C 1.443 177.725 176.600 -0.529 0.000 1.050 350 K CA 1.870 57.892 56.287 -0.443 0.000 0.935 350 K CB -0.045 32.030 32.500 -0.709 0.000 0.715 350 K HN 0.432 nan 8.250 nan 0.000 0.439 351 Y N -1.481 118.683 120.300 -0.227 0.000 2.585 351 Y HA 0.166 4.735 4.550 0.032 0.000 0.272 351 Y C 1.624 177.499 175.900 -0.042 0.000 1.119 351 Y CA -0.418 57.548 58.100 -0.223 0.000 1.255 351 Y CB 0.630 38.778 38.460 -0.520 0.000 1.284 351 Y HN -0.120 nan 8.280 nan 0.000 0.499 352 L N -0.695 120.565 121.223 0.063 0.000 2.362 352 L HA 0.182 4.541 4.340 0.032 0.000 0.204 352 L C 0.500 177.296 176.870 -0.124 0.000 1.060 352 L CA 0.130 55.053 54.840 0.138 0.000 0.827 352 L CB 0.075 42.247 42.059 0.188 0.000 1.027 352 L HN 0.070 nan 8.230 nan 0.000 0.474 353 M N 1.008 120.269 119.600 -0.565 0.000 2.248 353 M HA -0.033 4.466 4.480 0.032 0.000 0.345 353 M C -0.484 175.508 176.300 -0.514 0.000 1.243 353 M CA 0.619 55.397 55.300 -0.870 0.000 1.090 353 M CB 0.218 32.269 32.600 -0.916 0.000 1.683 353 M HN -0.090 nan 8.290 nan 0.000 0.450 354 D N 2.317 122.358 120.400 -0.598 0.000 2.404 354 D HA 0.184 4.843 4.640 0.032 0.000 0.267 354 D C -0.154 175.935 176.300 -0.353 0.000 1.194 354 D CA -0.208 53.485 54.000 -0.512 0.000 0.910 354 D CB 0.257 40.456 40.800 -1.002 0.000 1.090 354 D HN 0.472 nan 8.370 nan 0.000 0.511 355 Y N 0.969 121.193 120.300 -0.125 0.000 2.439 355 Y HA -0.076 4.492 4.550 0.031 0.000 0.292 355 Y C 2.126 177.998 175.900 -0.045 0.000 1.130 355 Y CA 0.613 58.671 58.100 -0.070 0.000 1.254 355 Y CB 0.415 38.851 38.460 -0.040 0.000 1.000 355 Y HN 0.348 nan 8.280 nan 0.000 0.554 356 E N 0.536 120.794 120.200 0.097 0.000 2.028 356 E HA -0.129 4.240 4.350 0.032 0.000 0.190 356 E C 1.433 178.059 176.600 0.043 0.000 0.984 356 E CA 1.595 58.043 56.400 0.079 0.000 0.800 356 E CB -0.107 29.653 29.700 0.100 0.000 0.758 356 E HN 0.282 nan 8.360 nan 0.000 0.448 357 N N -0.468 118.211 118.700 -0.037 0.000 2.322 357 N HA 0.199 4.958 4.740 0.032 0.000 0.181 357 N C 0.018 175.539 175.510 0.019 0.000 1.088 357 N CA 0.905 53.942 53.050 -0.021 0.000 0.885 357 N CB 1.336 39.772 38.487 -0.084 0.000 1.013 357 N HN 0.221 nan 8.380 nan 0.000 0.472 358 G N 0.497 109.246 108.800 -0.086 0.000 2.576 358 G HA2 0.069 4.048 3.960 0.032 0.000 0.686 358 G HA3 0.069 4.048 3.960 0.032 0.000 0.686 358 G C -0.135 174.449 174.900 -0.527 0.000 1.242 358 G CA -0.176 44.884 45.100 -0.067 0.000 0.819 358 G HN 0.269 nan 8.290 nan 0.000 0.655 359 S N -1.165 114.174 115.700 -0.601 0.000 3.469 359 S HA -0.168 4.321 4.470 0.032 0.000 0.628 359 S C 0.093 174.578 174.600 -0.191 0.000 2.687 359 S CA 2.175 59.995 58.200 -0.633 0.000 3.829 359 S CB -1.067 61.230 63.200 -1.505 0.000 0.258 359 S HN 2.032 nan 8.310 nan 0.000 1.222 360 W N 0.015 120.978 121.300 -0.561 0.000 2.864 360 W HA 0.645 5.323 4.660 0.030 0.000 0.343 360 W C -0.690 175.622 176.519 -0.346 0.000 1.109 360 W CA -1.328 55.779 57.345 -0.396 0.000 1.192 360 W CB -0.178 29.170 29.460 -0.187 0.000 1.426 360 W HN 0.694 nan 8.180 nan 0.000 0.529 361 W N 1.656 123.034 121.300 0.130 0.000 2.148 361 W HA 0.112 4.792 4.660 0.033 0.000 0.347 361 W C 1.752 178.335 176.519 0.107 0.000 1.288 361 W CA 0.108 57.507 57.345 0.091 0.000 1.252 361 W CB 0.356 29.859 29.460 0.071 0.000 1.156 361 W HN 0.361 nan 8.180 nan 0.000 0.580 362 Q N 0.871 120.880 119.800 0.349 0.000 2.302 362 Q HA 0.004 4.363 4.340 0.032 0.000 0.202 362 Q C -0.217 175.883 176.000 0.166 0.000 0.936 362 Q CA 1.165 57.071 55.803 0.171 0.000 0.886 362 Q CB 0.393 29.203 28.738 0.120 0.000 0.986 362 Q HN 0.531 nan 8.270 nan 0.000 0.487 363 E N -0.682 119.643 120.200 0.209 0.000 2.354 363 E HA 0.408 4.777 4.350 0.032 0.000 0.283 363 E C -1.699 174.933 176.600 0.053 0.000 0.938 363 E CA -0.463 56.012 56.400 0.125 0.000 0.777 363 E CB 0.804 30.594 29.700 0.149 0.000 1.222 363 E HN 0.191 nan 8.360 nan 0.000 0.423 364 L N 2.505 123.734 121.223 0.010 0.000 2.354 364 L HA 0.508 4.868 4.340 0.032 0.000 0.264 364 L C -0.068 176.759 176.870 -0.071 0.000 1.008 364 L CA -1.248 53.554 54.840 -0.063 0.000 0.819 364 L CB 1.546 43.563 42.059 -0.071 0.000 1.339 364 L HN 0.674 nan 8.230 nan 0.000 0.420 365 D N 0.929 121.269 120.400 -0.100 0.000 2.414 365 D HA 0.168 4.827 4.640 0.032 0.000 0.259 365 D C 0.908 177.144 176.300 -0.107 0.000 1.269 365 D CA -0.165 53.780 54.000 -0.091 0.000 1.028 365 D CB 0.735 41.482 40.800 -0.088 0.000 1.093 365 D HN 0.559 nan 8.370 nan 0.000 0.545 366 A N -0.763 121.998 122.820 -0.098 0.000 2.216 366 A HA -0.075 4.264 4.320 0.032 0.000 0.214 366 A C 1.030 178.531 177.584 -0.138 0.000 1.160 366 A CA 0.814 52.783 52.037 -0.113 0.000 0.725 366 A CB -0.411 18.533 19.000 -0.093 0.000 0.784 366 A HN 0.498 nan 8.150 nan 0.000 0.472 367 D N 0.084 120.400 120.400 -0.140 0.000 2.368 367 D HA 0.054 4.714 4.640 0.032 0.000 0.218 367 D C -0.198 175.955 176.300 -0.244 0.000 1.112 367 D CA -0.087 53.818 54.000 -0.158 0.000 0.834 367 D CB -0.017 40.717 40.800 -0.109 0.000 0.953 367 D HN 0.328 nan 8.370 nan 0.000 0.505 368 N N 0.937 119.464 118.700 -0.288 0.000 2.782 368 N HA -0.174 4.585 4.740 0.032 0.000 0.251 368 N C -0.386 174.935 175.510 -0.315 0.000 1.101 368 N CA 0.780 53.559 53.050 -0.453 0.000 0.764 368 N CB -1.161 36.668 38.487 -1.096 0.000 1.122 368 N HN 0.399 nan 8.380 nan 0.000 0.561 369 K N 0.593 120.873 120.400 -0.201 0.000 2.156 369 K HA 0.471 4.810 4.320 0.032 0.000 0.271 369 K C 0.428 176.898 176.600 -0.217 0.000 0.995 369 K CA -0.711 55.474 56.287 -0.170 0.000 0.890 369 K CB 1.895 34.318 32.500 -0.129 0.000 1.073 369 K HN -0.159 nan 8.250 nan 0.000 0.454 370 V N 3.055 122.765 119.914 -0.341 0.000 2.644 370 V HA -0.065 4.074 4.120 0.032 0.000 0.305 370 V C 0.618 176.540 176.094 -0.286 0.000 1.053 370 V CA 0.665 62.679 62.300 -0.478 0.000 1.186 370 V CB -0.043 31.163 31.823 -1.029 0.000 0.895 370 V HN 1.042 nan 8.190 nan 0.000 0.490 371 T N 1.166 115.612 114.554 -0.180 0.000 2.812 371 T HA 0.637 5.007 4.350 0.032 0.000 0.294 371 T C -0.615 174.075 174.700 -0.018 0.000 1.159 371 T CA -0.805 61.240 62.100 -0.091 0.000 1.008 371 T CB 2.211 71.040 68.868 -0.065 0.000 1.289 371 T HN 0.478 nan 8.240 nan 0.000 0.514 372 T N 1.422 115.981 114.554 0.009 0.000 2.906 372 T HA 0.612 4.981 4.350 0.032 0.000 0.302 372 T C -0.032 174.686 174.700 0.031 0.000 1.002 372 T CA -0.762 61.374 62.100 0.060 0.000 0.988 372 T CB 1.669 70.582 68.868 0.076 0.000 0.972 372 T HN 0.713 nan 8.240 nan 0.000 0.447 373 K N 2.219 122.637 120.400 0.031 0.000 2.924 373 K HA 0.200 4.539 4.320 0.032 0.000 0.232 373 K C 1.624 178.190 176.600 -0.057 0.000 1.932 373 K CA 0.257 56.534 56.287 -0.017 0.000 1.209 373 K CB -0.141 32.338 32.500 -0.034 0.000 2.242 373 K HN 0.289 nan 8.250 nan 0.000 0.463 374 V N 0.769 120.630 119.914 -0.088 0.000 2.453 374 V HA -0.078 4.061 4.120 0.032 0.000 0.247 374 V C 0.941 176.825 176.094 -0.350 0.000 1.048 374 V CA 1.336 63.484 62.300 -0.253 0.000 1.049 374 V CB -0.258 31.345 31.823 -0.367 0.000 0.672 374 V HN 0.246 nan 8.190 nan 0.000 0.457 375 W N -1.657 119.648 121.300 0.009 0.000 3.164 375 W HA 0.604 5.284 4.660 0.033 0.000 0.325 375 W C -0.793 175.830 176.519 0.174 0.000 1.228 375 W CA -0.451 56.968 57.345 0.123 0.000 1.024 375 W CB 0.994 30.536 29.460 0.136 0.000 1.534 375 W HN -0.269 nan 8.180 nan 0.000 0.614 376 D N 0.189 120.985 120.400 0.660 0.000 2.411 376 D HA 0.446 5.106 4.640 0.032 0.000 0.239 376 D C -0.094 176.587 176.300 0.635 0.000 1.307 376 D CA 0.915 55.204 54.000 0.480 0.000 0.930 376 D CB 0.187 41.164 40.800 0.296 0.000 1.395 376 D HN 0.612 nan 8.370 nan 0.000 0.536 377 G N 2.239 111.338 108.800 0.499 0.000 2.396 377 G HA2 -0.055 3.924 3.960 0.032 0.000 0.254 377 G HA3 -0.055 3.924 3.960 0.032 0.000 0.254 377 G C -0.778 174.313 174.900 0.318 0.000 1.248 377 G CA -0.808 44.571 45.100 0.465 0.000 1.033 377 G HN 0.251 nan 8.290 nan 0.000 0.502 378 K N 1.129 121.672 120.400 0.238 0.000 3.206 378 K HA 0.202 4.541 4.320 0.032 0.000 0.180 378 K C 1.329 177.936 176.600 0.011 0.000 1.088 378 K CA -0.225 56.123 56.287 0.103 0.000 0.872 378 K CB 1.000 33.578 32.500 0.131 0.000 0.976 378 K HN 0.533 nan 8.250 nan 0.000 0.564 379 Q N 0.097 119.734 119.800 -0.272 0.000 2.472 379 Q HA -0.037 4.322 4.340 0.032 0.000 0.208 379 Q C -0.497 175.236 176.000 -0.446 0.000 0.958 379 Q CA 0.930 56.392 55.803 -0.568 0.000 0.932 379 Q CB 0.044 27.845 28.738 -1.560 0.000 1.007 379 Q HN 0.270 nan 8.270 nan 0.000 0.508 380 D N 0.265 120.479 120.400 -0.310 0.000 2.362 380 D HA 0.367 5.026 4.640 0.032 0.000 0.247 380 D C 0.640 176.850 176.300 -0.150 0.000 1.050 380 D CA -0.626 53.240 54.000 -0.224 0.000 0.839 380 D CB 1.050 41.765 40.800 -0.142 0.000 1.283 380 D HN 0.167 nan 8.370 nan 0.000 0.477 381 I N 1.048 121.543 120.570 -0.125 0.000 4.327 381 I HA 0.219 4.408 4.170 0.032 0.000 0.331 381 I C 1.301 177.312 176.117 -0.178 0.000 1.348 381 I CA -0.553 60.650 61.300 -0.161 0.000 1.152 381 I CB -0.127 37.811 38.000 -0.103 0.000 1.151 381 I HN 0.408 nan 8.210 nan 0.000 0.410 382 Y N 2.493 122.635 120.300 -0.263 0.000 2.165 382 Y HA -0.275 4.295 4.550 0.033 0.000 0.286 382 Y C 2.547 178.196 175.900 -0.418 0.000 1.155 382 Y CA 1.958 59.887 58.100 -0.285 0.000 1.164 382 Y CB -0.620 37.661 38.460 -0.299 0.000 0.978 382 Y HN 0.169 nan 8.280 nan 0.000 0.513 383 H N 0.533 119.172 119.070 -0.718 0.000 2.387 383 H HA -0.123 4.452 4.556 0.032 0.000 0.299 383 H C 2.308 177.231 175.328 -0.675 0.000 1.090 383 H CA 1.890 57.431 56.048 -0.845 0.000 1.332 383 H CB -0.287 29.303 29.762 -0.287 0.000 1.386 383 H HN 0.432 nan 8.280 nan 0.000 0.516 384 L N 0.710 121.677 121.223 -0.426 0.000 2.261 384 L HA -0.185 4.174 4.340 0.032 0.000 0.216 384 L C 2.382 179.074 176.870 -0.298 0.000 1.114 384 L CA 0.545 55.117 54.840 -0.446 0.000 0.777 384 L CB -0.383 41.319 42.059 -0.594 0.000 0.910 384 L HN 0.213 nan 8.230 nan 0.000 0.440 385 L N -1.254 119.758 121.223 -0.350 0.000 2.362 385 L HA -0.190 4.169 4.340 0.032 0.000 0.219 385 L C 2.150 179.023 176.870 0.005 0.000 1.134 385 L CA 0.985 55.720 54.840 -0.175 0.000 0.807 385 L CB -0.811 41.167 42.059 -0.136 0.000 0.927 385 L HN 0.421 nan 8.230 nan 0.000 0.447 386 H N -0.911 118.133 119.070 -0.044 0.000 2.529 386 H HA -0.082 4.493 4.556 0.031 0.000 0.277 386 H C 2.222 177.635 175.328 0.140 0.000 0.999 386 H CA 1.010 57.087 56.048 0.048 0.000 1.256 386 H CB 0.190 29.973 29.762 0.035 0.000 1.402 386 H HN 0.584 nan 8.280 nan 0.000 0.566 387 C N -1.159 118.282 119.300 0.236 0.000 3.065 387 C HA 0.340 4.819 4.460 0.032 0.000 0.285 387 C C 1.822 177.125 174.990 0.520 0.000 1.257 387 C CA -0.568 58.670 59.018 0.366 0.000 1.691 387 C CB -0.681 27.164 27.740 0.174 0.000 2.089 387 C HN 0.384 nan 8.230 nan 0.000 0.630 388 L N 0.588 121.997 121.223 0.311 0.000 2.388 388 L HA 0.195 4.554 4.340 0.032 0.000 0.209 388 L C 2.412 179.361 176.870 0.131 0.000 1.061 388 L CA 0.677 55.676 54.840 0.265 0.000 0.834 388 L CB 0.023 42.140 42.059 0.096 0.000 1.029 388 L HN 0.193 nan 8.230 nan 0.000 0.473 389 V N -0.995 118.972 119.914 0.089 0.000 2.908 389 V HA 0.024 4.163 4.120 0.032 0.000 0.240 389 V C 2.152 178.276 176.094 0.051 0.000 1.117 389 V CA 0.276 62.610 62.300 0.057 0.000 1.133 389 V CB 0.470 32.324 31.823 0.051 0.000 0.857 389 V HN 0.164 nan 8.190 nan 0.000 0.478 390 I N 1.176 121.800 120.570 0.090 0.000 2.145 390 I HA -0.206 3.983 4.170 0.032 0.000 0.244 390 I C -0.434 175.520 176.117 -0.271 0.000 1.075 390 I CA 2.072 63.410 61.300 0.064 0.000 1.332 390 I CB -1.316 36.803 38.000 0.198 0.000 1.033 390 I HN 0.352 nan 8.210 nan 0.000 0.410 391 P HA -0.112 nan 4.420 nan 0.000 0.231 391 P C 0.919 177.860 177.300 -0.599 0.000 1.158 391 P CA 1.230 63.626 63.100 -1.174 0.000 0.763 391 P CB -0.100 31.451 31.700 -0.248 0.000 0.805 392 R N -1.512 118.866 120.500 -0.204 0.000 2.334 392 R HA 0.280 4.639 4.340 0.032 0.000 0.216 392 R C 0.349 176.672 176.300 0.039 0.000 0.905 392 R CA 0.059 56.145 56.100 -0.023 0.000 1.064 392 R CB 0.106 30.417 30.300 0.019 0.000 1.046 392 R HN 0.237 nan 8.270 nan 0.000 0.508 393 L N 1.013 122.266 121.223 0.051 0.000 2.354 393 L HA 0.516 4.875 4.340 0.032 0.000 0.264 393 L C -2.278 174.732 176.870 0.234 0.000 1.008 393 L CA -2.625 52.296 54.840 0.134 0.000 0.819 393 L CB 2.139 44.273 42.059 0.125 0.000 1.339 393 L HN -0.182 nan 8.230 nan 0.000 0.420 394 P HA 0.103 nan 4.420 nan 0.000 0.272 394 P C 0.410 177.821 177.300 0.185 0.000 1.254 394 P CA -0.249 62.943 63.100 0.154 0.000 0.795 394 P CB 0.912 32.669 31.700 0.095 0.000 1.022 395 L N -1.304 119.993 121.223 0.123 0.000 2.446 395 L HA 0.209 4.568 4.340 0.032 0.000 0.219 395 L C 1.147 178.169 176.870 0.253 0.000 1.116 395 L CA 0.526 55.472 54.840 0.176 0.000 0.844 395 L CB -0.281 41.749 42.059 -0.049 0.000 0.970 395 L HN 0.364 nan 8.230 nan 0.000 0.457 396 A N 0.139 123.048 122.820 0.148 0.000 2.422 396 A HA 0.700 5.039 4.320 0.032 0.000 0.302 396 A C -2.430 175.217 177.584 0.105 0.000 1.041 396 A CA -1.159 50.959 52.037 0.134 0.000 0.708 396 A CB 0.938 19.997 19.000 0.097 0.000 1.257 396 A HN -0.181 nan 8.150 nan 0.000 0.414 397 P HA 0.332 nan 4.420 nan 0.000 0.275 397 P C 0.734 178.098 177.300 0.106 0.000 1.270 397 P CA 0.109 63.282 63.100 0.122 0.000 0.791 397 P CB 0.337 32.097 31.700 0.100 0.000 1.089 398 G N -0.736 108.106 108.800 0.070 0.000 2.611 398 G HA2 0.133 4.112 3.960 0.032 0.000 0.273 398 G HA3 0.133 4.112 3.960 0.032 0.000 0.273 398 G C 0.852 175.764 174.900 0.021 0.000 1.305 398 G CA -0.449 44.640 45.100 -0.018 0.000 1.010 398 G HN 0.518 nan 8.290 nan 0.000 0.509 399 L N 0.735 121.963 121.223 0.008 0.000 1.941 399 L HA -0.182 4.177 4.340 0.032 0.000 0.224 399 L C 3.035 179.950 176.870 0.075 0.000 1.081 399 L CA 3.235 58.123 54.840 0.080 0.000 0.784 399 L CB -1.141 41.011 42.059 0.154 0.000 0.894 399 L HN 0.580 nan 8.230 nan 0.000 0.436 400 A N -0.623 122.248 122.820 0.084 0.000 1.877 400 A HA -0.072 4.267 4.320 0.032 0.000 0.216 400 A C 0.148 177.750 177.584 0.031 0.000 1.186 400 A CA 1.733 53.792 52.037 0.037 0.000 0.620 400 A CB -2.087 16.933 19.000 0.033 0.000 0.822 400 A HN 0.505 nan 8.150 nan 0.000 0.443 401 P HA -0.163 nan 4.420 nan 0.000 0.216 401 P C 1.743 179.063 177.300 0.033 0.000 1.153 401 P CA 2.107 65.219 63.100 0.020 0.000 0.858 401 P CB -0.135 31.574 31.700 0.015 0.000 0.789 402 A N -0.752 122.097 122.820 0.049 0.000 1.902 402 A HA -0.143 4.196 4.320 0.032 0.000 0.217 402 A C 2.332 179.947 177.584 0.052 0.000 1.181 402 A CA 1.752 53.824 52.037 0.059 0.000 0.623 402 A CB -1.682 17.364 19.000 0.078 0.000 0.818 402 A HN 0.033 nan 8.150 nan 0.000 0.443 403 V N -0.108 119.835 119.914 0.049 0.000 2.343 403 V HA -0.238 3.902 4.120 0.032 0.000 0.247 403 V C 3.041 179.156 176.094 0.035 0.000 1.051 403 V CA 1.880 64.207 62.300 0.044 0.000 1.036 403 V CB -1.251 30.597 31.823 0.042 0.000 0.654 403 V HN 0.602 nan 8.190 nan 0.000 0.451 404 A N 0.065 122.902 122.820 0.028 0.000 1.972 404 A HA -0.088 4.251 4.320 0.032 0.000 0.219 404 A C 2.322 179.920 177.584 0.022 0.000 1.169 404 A CA 1.896 53.946 52.037 0.022 0.000 0.635 404 A CB -0.648 18.363 19.000 0.018 0.000 0.810 404 A HN 0.592 nan 8.150 nan 0.000 0.446 405 A N -1.811 121.026 122.820 0.027 0.000 2.168 405 A HA 0.365 4.704 4.320 0.032 0.000 0.215 405 A C 1.844 179.447 177.584 0.032 0.000 1.152 405 A CA 1.387 53.441 52.037 0.029 0.000 0.716 405 A CB -0.899 18.123 19.000 0.037 0.000 0.794 405 A HN 1.945 nan 8.150 nan 0.000 0.465 406 G N -1.494 107.326 108.800 0.034 0.000 2.132 406 G HA2 -0.203 3.776 3.960 0.032 0.000 0.228 406 G HA3 -0.203 3.776 3.960 0.032 0.000 0.228 406 G C 0.491 175.416 174.900 0.042 0.000 1.000 406 G CA 0.297 45.418 45.100 0.035 0.000 0.693 406 G HN 0.470 nan 8.290 nan 0.000 0.515 407 L N -0.418 120.835 121.223 0.049 0.000 2.591 407 L HA 0.312 4.671 4.340 0.032 0.000 0.228 407 L C 1.317 178.224 176.870 0.063 0.000 1.133 407 L CA -0.518 54.356 54.840 0.058 0.000 0.880 407 L CB -0.067 42.030 42.059 0.065 0.000 1.033 407 L HN 0.221 nan 8.230 nan 0.000 0.450 408 L N 1.356 122.613 121.223 0.057 0.000 2.559 408 L HA -0.066 4.294 4.340 0.032 0.000 0.274 408 L C 0.629 177.535 176.870 0.059 0.000 1.205 408 L CA 0.895 55.769 54.840 0.057 0.000 0.907 408 L CB -0.411 41.678 42.059 0.051 0.000 1.153 408 L HN 0.273 nan 8.230 nan 0.000 0.490 409 D N 2.090 122.530 120.400 0.067 0.000 3.079 409 D HA -0.319 4.340 4.640 0.032 0.000 0.214 409 D C 1.535 177.884 176.300 0.080 0.000 1.145 409 D CA 1.281 55.326 54.000 0.076 0.000 0.958 409 D CB -1.254 39.585 40.800 0.064 0.000 1.117 409 D HN 0.676 nan 8.370 nan 0.000 0.416 410 I N 0.271 120.888 120.570 0.079 0.000 2.335 410 I HA -0.261 3.928 4.170 0.032 0.000 0.251 410 I C 1.415 177.581 176.117 0.082 0.000 1.129 410 I CA 1.442 62.787 61.300 0.074 0.000 1.402 410 I CB 0.105 38.146 38.000 0.069 0.000 1.069 410 I HN -0.029 nan 8.210 nan 0.000 0.424 411 N N 1.275 120.035 118.700 0.101 0.000 2.398 411 N HA 0.165 4.924 4.740 0.032 0.000 0.188 411 N C 0.191 175.774 175.510 0.122 0.000 1.122 411 N CA 0.583 53.698 53.050 0.109 0.000 0.866 411 N CB 0.165 38.729 38.487 0.129 0.000 0.970 411 N HN 0.369 nan 8.380 nan 0.000 0.462 418 H N 0.689 119.613 119.070 -0.244 0.000 2.562 418 H HA 0.004 4.578 4.556 0.030 0.000 0.272 418 H C 0.881 176.130 175.328 -0.132 0.000 1.019 418 H CA 0.742 56.618 56.048 -0.287 0.000 1.160 418 H CB -0.465 29.206 29.762 -0.151 0.000 1.334 418 H HN 0.734 nan 8.280 nan 0.000 0.611 419 H N -0.670 118.399 119.070 -0.002 0.000 2.548 419 H HA 0.161 4.735 4.556 0.030 0.000 0.265 419 H C 0.067 175.437 175.328 0.070 0.000 0.969 419 H CA 0.170 56.252 56.048 0.057 0.000 1.155 419 H CB 0.003 29.833 29.762 0.113 0.000 1.394 419 H HN 0.650 nan 8.280 nan 0.000 0.570 420 H N -2.541 116.357 119.070 -0.286 0.000 2.990 420 H HA 0.396 4.973 4.556 0.035 0.000 0.336 420 H C -0.997 174.254 175.328 -0.129 0.000 1.306 420 H CA -1.178 54.748 56.048 -0.204 0.000 1.118 420 H CB 0.771 30.383 29.762 -0.250 0.000 1.856 420 H HN 0.095 nan 8.280 nan 0.000 0.538 421 H N 0.000 119.231 119.070 0.268 0.000 2.539 421 H HA 0.000 4.576 4.556 0.034 0.000 0.296 421 H CA 0.000 56.185 56.048 0.229 0.000 1.023 421 H CB 0.000 29.838 29.762 0.126 0.000 1.292 421 H HN 0.000 nan 8.280 nan 0.000 0.496