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 3inl_1_F DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCSCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.587 177.584 0.006 0.000 1.274 7 A CA 0.000 52.057 52.037 0.033 0.000 0.836 7 A CB 0.000 19.021 19.000 0.035 0.000 0.831 8 V N 3.071 122.949 119.914 -0.060 0.000 2.444 8 V HA 0.570 4.693 4.120 0.005 0.000 0.294 8 V C -2.242 173.741 176.094 -0.185 0.000 1.022 8 V CA -1.368 60.785 62.300 -0.245 0.000 0.850 8 V CB 1.458 33.167 31.823 -0.190 0.000 0.992 8 V HN 0.857 nan 8.190 nan 0.000 0.426 9 P HA 0.340 nan 4.420 nan 0.000 0.271 9 P C -0.094 177.207 177.300 0.001 0.000 1.216 9 P CA -0.113 62.929 63.100 -0.097 0.000 0.776 9 P CB 0.548 32.203 31.700 -0.075 0.000 0.881 10 A N 4.793 127.612 122.820 -0.001 0.000 2.567 10 A HA 0.241 4.565 4.320 0.005 0.000 0.240 10 A C -1.724 175.798 177.584 -0.103 0.000 1.053 10 A CA -0.519 51.498 52.037 -0.034 0.000 0.755 10 A CB -1.193 17.780 19.000 -0.045 0.000 0.978 10 A HN 0.436 nan 8.150 nan 0.000 0.507 11 P HA 0.166 nan 4.420 nan 0.000 0.282 11 P C -0.775 176.309 177.300 -0.359 0.000 1.249 11 P CA -0.745 61.997 63.100 -0.597 0.000 0.806 11 P CB 0.732 31.653 31.700 -1.299 0.000 0.984 12 N N 1.757 120.303 118.700 -0.255 0.000 2.406 12 N HA 0.031 4.774 4.740 0.005 0.000 0.251 12 N C 0.741 175.971 175.510 -0.467 0.000 1.069 12 N CA 0.167 53.069 53.050 -0.248 0.000 0.947 12 N CB 0.390 38.825 38.487 -0.087 0.000 1.111 12 N HN 0.259 nan 8.380 nan 0.000 0.497 13 Q N 1.832 121.232 119.800 -0.666 0.000 2.451 13 Q HA 0.044 4.387 4.340 0.005 0.000 0.206 13 Q C -0.247 175.350 176.000 -0.672 0.000 0.947 13 Q CA 0.749 55.833 55.803 -1.199 0.000 0.937 13 Q CB 0.366 28.482 28.738 -1.037 0.000 1.025 13 Q HN 0.625 nan 8.270 nan 0.000 0.511 14 Q N 1.481 121.062 119.800 -0.366 0.000 3.122 14 Q HA 0.261 4.604 4.340 0.005 0.000 0.282 14 Q C -2.463 173.457 176.000 -0.134 0.000 0.947 14 Q CA -1.484 54.193 55.803 -0.209 0.000 0.812 14 Q CB 1.293 29.934 28.738 -0.162 0.000 1.333 14 Q HN 0.116 nan 8.270 nan 0.000 0.430 15 P HA -0.004 nan 4.420 nan 0.000 0.271 15 P C -0.323 176.943 177.300 -0.057 0.000 1.216 15 P CA 0.044 63.132 63.100 -0.019 0.000 0.771 15 P CB 1.170 32.813 31.700 -0.094 0.000 0.864 16 E N 1.417 121.572 120.200 -0.075 0.000 2.373 16 E HA 0.225 4.578 4.350 0.005 0.000 0.263 16 E C -0.685 175.601 176.600 -0.522 0.000 1.073 16 E CA -0.683 55.514 56.400 -0.339 0.000 0.894 16 E CB 0.792 30.204 29.700 -0.479 0.000 1.008 16 E HN 0.152 nan 8.360 nan 0.000 0.420 17 V N 5.220 124.842 119.914 -0.487 0.000 2.439 17 V HA 0.140 4.263 4.120 0.005 0.000 0.282 17 V C 0.030 175.831 176.094 -0.489 0.000 1.039 17 V CA 0.004 62.090 62.300 -0.356 0.000 0.913 17 V CB 0.990 32.707 31.823 -0.177 0.000 0.983 17 V HN 0.718 nan 8.190 nan 0.000 0.460 18 F N 1.336 121.333 119.950 0.078 0.000 2.680 18 F HA 0.257 4.787 4.527 0.005 0.000 0.290 18 F C 0.898 176.589 175.800 -0.182 0.000 1.114 18 F CA -0.053 57.943 58.000 -0.006 0.000 1.333 18 F CB 0.472 39.523 39.000 0.085 0.000 1.091 18 F HN 0.392 nan 8.300 nan 0.000 0.606 19 C N 1.952 121.220 119.300 -0.053 0.000 2.396 19 C HA 0.446 4.910 4.460 0.005 0.000 0.321 19 C C 0.145 174.946 174.990 -0.315 0.000 1.233 19 C CA -0.893 57.836 59.018 -0.481 0.000 1.440 19 C CB 0.628 28.018 27.740 -0.584 0.000 2.110 19 C HN 0.529 nan 8.230 nan 0.000 0.473 20 N N 1.282 119.769 118.700 -0.356 0.000 2.471 20 N HA 0.096 4.839 4.740 0.005 0.000 0.270 20 N C -0.568 174.900 175.510 -0.069 0.000 1.490 20 N CA -0.226 52.727 53.050 -0.162 0.000 0.850 20 N CB 0.123 38.517 38.487 -0.155 0.000 1.411 20 N HN 0.813 nan 8.380 nan 0.000 0.488 21 Q N -0.135 119.682 119.800 0.029 0.000 3.156 21 Q HA 0.590 4.933 4.340 0.005 0.000 0.301 21 Q C -0.538 175.775 176.000 0.521 0.000 1.026 21 Q CA -0.939 55.029 55.803 0.275 0.000 0.827 21 Q CB 1.990 30.931 28.738 0.339 0.000 1.490 21 Q HN 0.148 nan 8.270 nan 0.000 0.492 22 I N 1.282 122.134 120.570 0.469 0.000 2.428 22 I HA 0.192 4.365 4.170 0.005 0.000 0.289 22 I C -0.799 175.549 176.117 0.385 0.000 1.019 22 I CA -0.185 61.339 61.300 0.373 0.000 1.351 22 I CB 0.518 38.644 38.000 0.211 0.000 1.412 22 I HN 0.386 nan 8.210 nan 0.000 0.513 23 F N 8.162 128.112 119.950 -0.000 0.000 2.308 23 F HA 0.581 5.112 4.527 0.006 0.000 0.370 23 F C -0.517 175.138 175.800 -0.242 0.000 1.100 23 F CA -0.412 57.370 58.000 -0.363 0.000 1.108 23 F CB 0.337 38.989 39.000 -0.579 0.000 1.293 23 F HN 0.182 nan 8.300 nan 0.000 0.478 24 I N 5.421 125.662 120.570 -0.547 0.000 2.533 24 I HA 0.213 4.387 4.170 0.005 0.000 0.290 24 I C -0.233 175.581 176.117 -0.506 0.000 1.056 24 I CA -1.073 59.925 61.300 -0.502 0.000 1.057 24 I CB 1.791 39.464 38.000 -0.544 0.000 1.240 24 I HN 0.459 nan 8.210 nan 0.000 0.423 25 N N 4.906 123.345 118.700 -0.437 0.000 2.716 25 N HA -0.254 4.489 4.740 0.005 0.000 0.250 25 N C 0.133 175.379 175.510 -0.441 0.000 1.033 25 N CA 1.289 54.143 53.050 -0.327 0.000 0.727 25 N CB -1.033 37.353 38.487 -0.167 0.000 0.950 25 N HN 0.923 nan 8.380 nan 0.000 0.541 26 N N -1.732 116.456 118.700 -0.854 0.000 2.753 26 N HA -0.236 4.507 4.740 0.005 0.000 0.251 26 N C -0.743 174.356 175.510 -0.685 0.000 1.097 26 N CA 1.197 53.756 53.050 -0.818 0.000 0.786 26 N CB -0.342 38.010 38.487 -0.225 0.000 1.137 26 N HN 0.605 nan 8.380 nan 0.000 0.566 27 E N -0.925 118.829 120.200 -0.743 0.000 2.299 27 E HA 0.383 4.737 4.350 0.005 0.000 0.265 27 E C -0.958 175.386 176.600 -0.427 0.000 0.911 27 E CA -0.700 55.452 56.400 -0.413 0.000 0.789 27 E CB 1.111 30.687 29.700 -0.206 0.000 1.246 27 E HN 0.121 nan 8.360 nan 0.000 0.427 28 W N 1.660 122.949 121.300 -0.018 0.000 2.390 28 W HA 0.291 4.954 4.660 0.005 0.000 0.312 28 W C 0.185 176.659 176.519 -0.075 0.000 1.123 28 W CA -0.319 57.074 57.345 0.080 0.000 1.202 28 W CB 0.861 30.380 29.460 0.099 0.000 1.251 28 W HN 0.272 nan 8.180 nan 0.000 0.511 29 H N 2.206 121.438 119.070 0.270 0.000 2.600 29 H HA 0.171 4.730 4.556 0.005 0.000 0.357 29 H C -0.552 174.871 175.328 0.158 0.000 1.106 29 H CA -0.993 55.146 56.048 0.151 0.000 1.193 29 H CB 1.851 31.654 29.762 0.069 0.000 1.594 29 H HN 0.239 nan 8.280 nan 0.000 0.526 30 D N 1.099 121.621 120.400 0.204 0.000 2.357 30 D HA 0.183 4.826 4.640 0.005 0.000 0.242 30 D C 0.419 176.806 176.300 0.145 0.000 1.153 30 D CA -0.236 53.851 54.000 0.145 0.000 0.918 30 D CB 1.039 41.893 40.800 0.090 0.000 1.181 30 D HN 0.602 nan 8.370 nan 0.000 0.435 31 A N 1.112 123.996 122.820 0.108 0.000 2.520 31 A HA 0.075 4.398 4.320 0.005 0.000 0.235 31 A C 1.579 179.205 177.584 0.071 0.000 1.065 31 A CA -0.435 51.652 52.037 0.083 0.000 0.764 31 A CB 0.304 19.342 19.000 0.063 0.000 1.002 31 A HN 0.427 nan 8.150 nan 0.000 0.502 32 V N 2.483 122.432 119.914 0.059 0.000 2.392 32 V HA -0.252 3.871 4.120 0.005 0.000 0.249 32 V C 2.725 178.844 176.094 0.043 0.000 1.059 32 V CA 2.772 65.103 62.300 0.051 0.000 1.051 32 V CB -0.869 30.978 31.823 0.040 0.000 0.658 32 V HN 1.145 nan 8.190 nan 0.000 0.455 33 S N -0.623 115.100 115.700 0.038 0.000 2.555 33 S HA -0.102 4.371 4.470 0.005 0.000 0.230 33 S C 1.269 175.891 174.600 0.037 0.000 0.978 33 S CA 0.649 58.870 58.200 0.034 0.000 0.934 33 S CB -0.361 62.856 63.200 0.030 0.000 0.766 33 S HN 0.611 nan 8.310 nan 0.000 0.533 34 R N -0.127 120.399 120.500 0.042 0.000 4.016 34 R HA -0.140 4.203 4.340 0.005 0.000 0.385 34 R C -0.568 175.756 176.300 0.040 0.000 1.158 34 R CA 1.309 57.434 56.100 0.042 0.000 1.117 34 R CB -1.940 28.381 30.300 0.036 0.000 1.635 34 R HN 0.521 nan 8.270 nan 0.000 0.560 35 K N 1.183 121.608 120.400 0.043 0.000 2.295 35 K HA 0.231 4.555 4.320 0.005 0.000 0.270 35 K C 0.768 177.405 176.600 0.060 0.000 1.011 35 K CA 0.698 57.014 56.287 0.050 0.000 0.953 35 K CB 0.897 33.425 32.500 0.047 0.000 0.956 35 K HN 0.192 nan 8.250 nan 0.000 0.477 36 T N -1.205 113.394 114.554 0.075 0.000 2.887 36 T HA 0.712 5.065 4.350 0.005 0.000 0.292 36 T C -0.872 173.935 174.700 0.179 0.000 1.087 36 T CA -1.033 61.110 62.100 0.071 0.000 1.009 36 T CB 0.805 69.661 68.868 -0.020 0.000 1.203 36 T HN 0.492 nan 8.240 nan 0.000 0.518 37 F N -1.193 118.770 119.950 0.021 0.000 2.588 37 F HA 0.853 5.383 4.527 0.005 0.000 0.310 37 F C -3.159 172.691 175.800 0.083 0.000 1.082 37 F CA -2.876 55.183 58.000 0.098 0.000 0.929 37 F CB 1.427 40.546 39.000 0.198 0.000 1.254 37 F HN 0.404 nan 8.300 nan 0.000 0.455 38 P HA 0.190 nan 4.420 nan 0.000 0.284 38 P C -0.816 176.543 177.300 0.098 0.000 1.253 38 P CA -0.103 63.012 63.100 0.024 0.000 0.800 38 P CB 1.859 33.601 31.700 0.070 0.000 0.961 39 T N 1.654 116.206 114.554 -0.004 0.000 2.823 39 T HA 0.443 4.796 4.350 0.005 0.000 0.279 39 T C -0.660 174.058 174.700 0.030 0.000 0.998 39 T CA -0.547 61.593 62.100 0.065 0.000 0.994 39 T CB 0.481 69.377 68.868 0.047 0.000 0.960 39 T HN 0.062 nan 8.240 nan 0.000 0.448 40 V N 5.157 125.096 119.914 0.042 0.000 2.667 40 V HA 0.473 4.597 4.120 0.005 0.000 0.308 40 V C 0.238 176.335 176.094 0.006 0.000 1.048 40 V CA -1.147 61.166 62.300 0.023 0.000 0.928 40 V CB 1.907 33.758 31.823 0.046 0.000 1.004 40 V HN 0.884 nan 8.190 nan 0.000 0.444 41 N N 5.779 124.471 118.700 -0.013 0.000 2.401 41 N HA 0.231 4.974 4.740 0.005 0.000 0.255 41 N C -1.466 174.008 175.510 -0.059 0.000 1.110 41 N CA -1.979 51.056 53.050 -0.025 0.000 0.949 41 N CB 1.628 40.106 38.487 -0.015 0.000 1.110 41 N HN 0.314 nan 8.380 nan 0.000 0.490 42 P HA -0.030 nan 4.420 nan 0.000 0.226 42 P C 0.610 177.740 177.300 -0.284 0.000 1.153 42 P CA 0.721 63.770 63.100 -0.086 0.000 0.777 42 P CB 0.421 32.096 31.700 -0.042 0.000 0.794 43 S N -0.711 114.884 115.700 -0.175 0.000 2.461 43 S HA -0.030 4.443 4.470 0.005 0.000 0.228 43 S C 1.797 176.398 174.600 0.001 0.000 1.005 43 S CA 1.698 59.864 58.200 -0.056 0.000 0.942 43 S CB -0.512 62.748 63.200 0.100 0.000 0.776 43 S HN 0.451 nan 8.310 nan 0.000 0.514 44 T N -3.511 110.983 114.554 -0.100 0.000 2.980 44 T HA 0.441 4.795 4.350 0.005 0.000 0.252 44 T C 1.474 176.058 174.700 -0.192 0.000 0.962 44 T CA 0.918 62.956 62.100 -0.103 0.000 0.932 44 T CB 0.279 69.115 68.868 -0.053 0.000 1.188 44 T HN 0.473 nan 8.240 nan 0.000 0.500 45 G N 1.509 110.165 108.800 -0.240 0.000 2.179 45 G HA2 -0.193 3.771 3.960 0.005 0.000 0.260 45 G HA3 -0.193 3.771 3.960 0.005 0.000 0.260 45 G C -0.173 174.668 174.900 -0.099 0.000 0.977 45 G CA 0.169 45.128 45.100 -0.234 0.000 0.641 45 G HN 0.623 nan 8.290 nan 0.000 0.533 46 E N -0.024 120.130 120.200 -0.077 0.000 2.319 46 E HA 0.474 4.827 4.350 0.005 0.000 0.268 46 E C 0.697 177.279 176.600 -0.029 0.000 1.050 46 E CA -0.634 55.739 56.400 -0.046 0.000 0.878 46 E CB 1.732 31.405 29.700 -0.045 0.000 1.066 46 E HN 0.136 nan 8.360 nan 0.000 0.406 47 V N 4.235 124.136 119.914 -0.021 0.000 2.521 47 V HA -0.010 4.113 4.120 0.005 0.000 0.286 47 V C 1.727 177.803 176.094 -0.030 0.000 1.034 47 V CA 0.331 62.621 62.300 -0.016 0.000 1.045 47 V CB 0.204 32.019 31.823 -0.012 0.000 0.974 47 V HN 0.608 nan 8.190 nan 0.000 0.480 48 I N 4.068 124.619 120.570 -0.033 0.000 2.235 48 I HA 0.015 4.188 4.170 0.005 0.000 0.241 48 I C 0.997 177.075 176.117 -0.064 0.000 1.085 48 I CA 1.322 62.594 61.300 -0.046 0.000 1.378 48 I CB 0.126 38.101 38.000 -0.042 0.000 1.076 48 I HN 0.874 nan 8.210 nan 0.000 0.415 49 C N -2.281 116.975 119.300 -0.074 0.000 3.216 49 C HA 0.408 4.871 4.460 0.005 0.000 0.346 49 C C -1.164 173.747 174.990 -0.131 0.000 1.384 49 C CA -1.240 57.720 59.018 -0.096 0.000 1.208 49 C CB 1.206 28.880 27.740 -0.110 0.000 1.483 49 C HN 0.140 nan 8.230 nan 0.000 0.453 50 Q N 0.527 120.241 119.800 -0.143 0.000 2.260 50 Q HA 0.732 5.075 4.340 0.005 0.000 0.242 50 Q C -0.580 175.238 176.000 -0.303 0.000 0.932 50 Q CA -0.167 55.515 55.803 -0.202 0.000 0.891 50 Q CB 1.740 30.403 28.738 -0.124 0.000 1.222 50 Q HN 0.754 nan 8.270 nan 0.000 0.453 51 V N 0.684 120.275 119.914 -0.537 0.000 2.638 51 V HA 0.462 4.585 4.120 0.005 0.000 0.306 51 V C -0.410 175.455 176.094 -0.381 0.000 1.052 51 V CA -1.321 60.635 62.300 -0.573 0.000 0.885 51 V CB 1.841 33.078 31.823 -0.976 0.000 0.999 51 V HN 0.891 nan 8.190 nan 0.000 0.424 52 A N 2.996 125.764 122.820 -0.087 0.000 2.573 52 A HA 0.104 4.427 4.320 0.005 0.000 0.250 52 A C 0.466 178.166 177.584 0.194 0.000 1.049 52 A CA 0.467 52.540 52.037 0.060 0.000 0.767 52 A CB -0.114 18.959 19.000 0.121 0.000 0.965 52 A HN 0.872 nan 8.150 nan 0.000 0.514 53 E N 3.184 123.495 120.200 0.186 0.000 1.986 53 E HA 0.337 4.690 4.350 0.005 0.000 0.264 53 E C 0.567 177.157 176.600 -0.016 0.000 1.023 53 E CA -0.219 56.254 56.400 0.121 0.000 0.834 53 E CB 0.309 29.994 29.700 -0.026 0.000 1.111 53 E HN 0.785 nan 8.360 nan 0.000 0.417 54 G N 3.514 112.319 108.800 0.008 0.000 2.432 54 G HA2 0.076 4.040 3.960 0.005 0.000 0.257 54 G HA3 0.076 4.040 3.960 0.005 0.000 0.257 54 G C -0.264 174.613 174.900 -0.038 0.000 1.238 54 G CA -0.272 44.833 45.100 0.007 0.000 0.838 54 G HN 0.544 nan 8.290 nan 0.000 0.547 55 D N -0.191 120.202 120.400 -0.010 0.000 2.846 55 D HA 0.220 4.864 4.640 0.005 0.000 0.273 55 D C 1.416 177.728 176.300 0.020 0.000 1.145 55 D CA -0.785 53.214 54.000 -0.003 0.000 1.091 55 D CB 1.508 42.306 40.800 -0.002 0.000 1.364 55 D HN 0.260 nan 8.370 nan 0.000 0.613 56 K N 0.285 120.701 120.400 0.027 0.000 2.032 56 K HA -0.155 4.168 4.320 0.005 0.000 0.209 56 K C 1.643 178.269 176.600 0.043 0.000 1.048 56 K CA 1.495 57.806 56.287 0.040 0.000 0.927 56 K CB 0.009 32.526 32.500 0.028 0.000 0.712 56 K HN 0.315 nan 8.250 nan 0.000 0.441 57 E N 0.237 120.455 120.200 0.030 0.000 2.130 57 E HA -0.210 4.143 4.350 0.005 0.000 0.196 57 E C 1.522 178.135 176.600 0.022 0.000 0.998 57 E CA 1.589 58.005 56.400 0.027 0.000 0.806 57 E CB 0.019 29.733 29.700 0.022 0.000 0.738 57 E HN 0.457 nan 8.360 nan 0.000 0.459 58 D N -0.197 120.213 120.400 0.017 0.000 2.213 58 D HA -0.074 4.570 4.640 0.005 0.000 0.205 58 D C 2.091 178.385 176.300 -0.010 0.000 0.961 58 D CA 0.479 54.478 54.000 -0.002 0.000 0.853 58 D CB 0.129 40.936 40.800 0.011 0.000 0.967 58 D HN 0.060 nan 8.370 nan 0.000 0.496 59 V N 2.203 122.128 119.914 0.019 0.000 2.343 59 V HA -0.218 3.905 4.120 0.005 0.000 0.247 59 V C 1.917 178.017 176.094 0.011 0.000 1.051 59 V CA 1.740 64.052 62.300 0.019 0.000 1.036 59 V CB -0.392 31.470 31.823 0.065 0.000 0.654 59 V HN 0.026 nan 8.190 nan 0.000 0.451 60 D N 0.003 120.453 120.400 0.084 0.000 2.117 60 D HA -0.152 4.491 4.640 0.005 0.000 0.197 60 D C 2.238 178.553 176.300 0.025 0.000 0.987 60 D CA 1.160 55.244 54.000 0.141 0.000 0.829 60 D CB -0.260 40.633 40.800 0.154 0.000 0.961 60 D HN 0.404 nan 8.370 nan 0.000 0.460 61 K N 0.477 120.867 120.400 -0.018 0.000 2.097 61 K HA -0.048 4.275 4.320 0.005 0.000 0.206 61 K C 2.067 178.599 176.600 -0.113 0.000 1.049 61 K CA 1.109 57.354 56.287 -0.070 0.000 0.933 61 K CB -0.056 32.377 32.500 -0.111 0.000 0.717 61 K HN 0.055 nan 8.250 nan 0.000 0.442 62 A N 0.942 123.691 122.820 -0.118 0.000 1.929 62 A HA -0.065 4.258 4.320 0.005 0.000 0.216 62 A C 2.348 179.853 177.584 -0.132 0.000 1.176 62 A CA 0.943 52.900 52.037 -0.133 0.000 0.628 62 A CB -0.389 18.548 19.000 -0.106 0.000 0.816 62 A HN 0.046 nan 8.150 nan 0.000 0.444 63 V N 0.345 120.161 119.914 -0.164 0.000 2.358 63 V HA -0.268 3.856 4.120 0.005 0.000 0.246 63 V C 2.418 178.435 176.094 -0.128 0.000 1.047 63 V CA 2.311 64.474 62.300 -0.228 0.000 1.035 63 V CB -0.669 30.825 31.823 -0.548 0.000 0.658 63 V HN 0.537 nan 8.190 nan 0.000 0.452 64 K N 0.332 120.686 120.400 -0.078 0.000 2.063 64 K HA -0.159 4.165 4.320 0.005 0.000 0.208 64 K C 2.314 178.894 176.600 -0.034 0.000 1.048 64 K CA 1.546 57.816 56.287 -0.029 0.000 0.928 64 K CB -0.442 32.051 32.500 -0.010 0.000 0.713 64 K HN 0.479 nan 8.250 nan 0.000 0.442 65 A N 1.548 124.329 122.820 -0.065 0.000 1.877 65 A HA -0.124 4.199 4.320 0.005 0.000 0.216 65 A C 2.393 179.949 177.584 -0.047 0.000 1.186 65 A CA 1.867 53.863 52.037 -0.069 0.000 0.620 65 A CB -0.728 18.199 19.000 -0.122 0.000 0.822 65 A HN 0.338 nan 8.150 nan 0.000 0.443 66 A N -0.251 122.534 122.820 -0.060 0.000 1.877 66 A HA -0.157 4.167 4.320 0.005 0.000 0.216 66 A C 2.183 179.791 177.584 0.040 0.000 1.186 66 A CA 2.180 54.195 52.037 -0.036 0.000 0.620 66 A CB -0.471 18.483 19.000 -0.076 0.000 0.822 66 A HN 0.449 nan 8.150 nan 0.000 0.443 67 R N 0.328 120.844 120.500 0.028 0.000 2.091 67 R HA -0.076 4.267 4.340 0.005 0.000 0.238 67 R C 2.114 178.496 176.300 0.136 0.000 1.136 67 R CA 2.084 58.240 56.100 0.093 0.000 0.959 67 R CB -0.995 29.338 30.300 0.054 0.000 0.856 67 R HN 0.405 nan 8.270 nan 0.000 0.437 68 A N -0.007 122.861 122.820 0.080 0.000 1.933 68 A HA 0.005 4.328 4.320 0.005 0.000 0.218 68 A C 2.298 179.943 177.584 0.102 0.000 1.175 68 A CA 1.677 53.758 52.037 0.074 0.000 0.628 68 A CB -0.910 18.111 19.000 0.036 0.000 0.814 68 A HN 0.474 nan 8.150 nan 0.000 0.444 69 A N -2.171 120.716 122.820 0.111 0.000 2.119 69 A HA 0.106 4.429 4.320 0.005 0.000 0.217 69 A C 1.740 179.491 177.584 0.279 0.000 1.153 69 A CA 1.196 53.320 52.037 0.145 0.000 0.692 69 A CB -0.512 18.527 19.000 0.064 0.000 0.799 69 A HN 0.588 nan 8.150 nan 0.000 0.458 70 F N 0.267 120.291 119.950 0.123 0.000 2.776 70 F HA 0.198 4.729 4.527 0.005 0.000 0.300 70 F C 0.650 176.522 175.800 0.120 0.000 1.116 70 F CA -0.219 57.880 58.000 0.165 0.000 1.375 70 F CB 0.143 39.223 39.000 0.133 0.000 1.109 70 F HN 0.083 nan 8.300 nan 0.000 0.585 71 Q N 1.803 121.654 119.800 0.084 0.000 2.315 71 Q HA -0.010 4.333 4.340 0.005 0.000 0.289 71 Q C -0.077 175.874 176.000 -0.081 0.000 1.044 71 Q CA 0.023 55.830 55.803 0.005 0.000 0.920 71 Q CB 0.432 29.196 28.738 0.043 0.000 1.214 71 Q HN 0.243 nan 8.270 nan 0.000 0.392 72 L N 1.650 122.811 121.223 -0.103 0.000 2.593 72 L HA 0.055 4.398 4.340 0.005 0.000 0.287 72 L C 1.367 178.206 176.870 -0.051 0.000 1.243 72 L CA 2.337 57.116 54.840 -0.101 0.000 0.890 72 L CB 0.066 42.085 42.059 -0.067 0.000 1.134 72 L HN 0.939 nan 8.230 nan 0.000 0.502 73 G N 1.871 110.641 108.800 -0.049 0.000 2.179 73 G HA2 -0.290 3.673 3.960 0.005 0.000 0.260 73 G HA3 -0.290 3.673 3.960 0.005 0.000 0.260 73 G C 0.364 175.262 174.900 -0.003 0.000 0.977 73 G CA 0.469 45.556 45.100 -0.023 0.000 0.641 73 G HN 1.133 nan 8.290 nan 0.000 0.533 74 S N 0.407 116.110 115.700 0.006 0.000 2.614 74 S HA 0.595 5.068 4.470 0.005 0.000 0.265 74 S C -0.545 174.100 174.600 0.075 0.000 1.303 74 S CA -0.361 57.870 58.200 0.052 0.000 1.000 74 S CB 1.989 65.243 63.200 0.089 0.000 0.935 74 S HN -0.006 nan 8.310 nan 0.000 0.551 75 P HA -0.135 nan 4.420 nan 0.000 0.215 75 P C 1.297 178.719 177.300 0.204 0.000 1.157 75 P CA 1.357 64.534 63.100 0.129 0.000 0.874 75 P CB -0.151 31.636 31.700 0.145 0.000 0.790 76 W N 0.128 121.456 121.300 0.046 0.000 2.388 76 W HA -0.150 4.513 4.660 0.005 0.000 0.294 76 W C 1.812 178.358 176.519 0.045 0.000 1.212 76 W CA 0.732 58.123 57.345 0.076 0.000 1.271 76 W CB -0.130 29.402 29.460 0.120 0.000 1.126 76 W HN -0.150 nan 8.180 nan 0.000 0.535 77 R N 0.375 120.886 120.500 0.018 0.000 2.090 77 R HA -0.065 4.278 4.340 0.005 0.000 0.228 77 R C 2.052 178.268 176.300 -0.139 0.000 1.110 77 R CA 1.120 57.131 56.100 -0.148 0.000 0.973 77 R CB -0.754 29.450 30.300 -0.160 0.000 0.869 77 R HN 0.311 nan 8.270 nan 0.000 0.440 78 R N -0.287 120.168 120.500 -0.076 0.000 2.276 78 R HA 0.177 4.520 4.340 0.005 0.000 0.196 78 R C 1.025 177.278 176.300 -0.078 0.000 0.961 78 R CA -0.222 55.838 56.100 -0.067 0.000 1.024 78 R CB 0.001 30.279 30.300 -0.037 0.000 0.940 78 R HN 0.109 nan 8.270 nan 0.000 0.480 79 M N 2.270 121.813 119.600 -0.095 0.000 2.251 79 M HA -0.053 4.430 4.480 0.005 0.000 0.343 79 M C -0.688 175.551 176.300 -0.102 0.000 1.245 79 M CA 0.377 55.623 55.300 -0.090 0.000 1.061 79 M CB 0.510 33.065 32.600 -0.076 0.000 1.723 79 M HN -0.054 nan 8.290 nan 0.000 0.449 80 D N 4.098 124.465 120.400 -0.054 0.000 2.488 80 D HA 0.040 4.683 4.640 0.005 0.000 0.238 80 D C 0.850 177.138 176.300 -0.020 0.000 1.138 80 D CA 0.536 54.521 54.000 -0.026 0.000 0.873 80 D CB 0.996 41.798 40.800 0.003 0.000 1.183 80 D HN 0.771 nan 8.370 nan 0.000 0.458 81 A N 2.623 125.426 122.820 -0.029 0.000 1.908 81 A HA -0.235 4.088 4.320 0.005 0.000 0.218 81 A C 2.150 179.741 177.584 0.013 0.000 1.181 81 A CA 2.267 54.289 52.037 -0.024 0.000 0.627 81 A CB -0.635 18.369 19.000 0.007 0.000 0.818 81 A HN 0.614 nan 8.150 nan 0.000 0.445 82 S N -1.089 114.630 115.700 0.033 0.000 2.400 82 S HA -0.271 4.202 4.470 0.005 0.000 0.232 82 S C 1.844 176.475 174.600 0.052 0.000 1.025 82 S CA 1.702 59.926 58.200 0.041 0.000 0.993 82 S CB -0.712 62.513 63.200 0.042 0.000 0.808 82 S HN 0.763 nan 8.310 nan 0.000 0.478 83 H N 1.556 120.608 119.070 -0.031 0.000 2.436 83 H HA 0.237 4.797 4.556 0.006 0.000 0.294 83 H C 2.315 177.622 175.328 -0.035 0.000 1.048 83 H CA 1.268 57.295 56.048 -0.034 0.000 1.353 83 H CB -0.068 29.668 29.762 -0.042 0.000 1.414 83 H HN 0.327 nan 8.280 nan 0.000 0.536 84 R N -0.582 119.901 120.500 -0.030 0.000 2.105 84 R HA -0.103 4.240 4.340 0.005 0.000 0.239 84 R C 2.484 178.798 176.300 0.023 0.000 1.135 84 R CA 1.147 57.237 56.100 -0.017 0.000 0.967 84 R CB -0.544 29.718 30.300 -0.064 0.000 0.861 84 R HN 0.441 nan 8.270 nan 0.000 0.442 85 G N 1.036 109.842 108.800 0.011 0.000 2.402 85 G HA2 -0.229 3.735 3.960 0.005 0.000 0.216 85 G HA3 -0.229 3.735 3.960 0.005 0.000 0.216 85 G C 1.429 176.315 174.900 -0.024 0.000 1.162 85 G CA 0.163 45.280 45.100 0.030 0.000 0.777 85 G HN 0.116 nan 8.290 nan 0.000 0.539 86 R N 0.247 120.675 120.500 -0.120 0.000 2.091 86 R HA 0.055 4.398 4.340 0.005 0.000 0.238 86 R C 2.640 178.816 176.300 -0.206 0.000 1.136 86 R CA 0.636 56.631 56.100 -0.175 0.000 0.959 86 R CB -1.154 28.980 30.300 -0.276 0.000 0.856 86 R HN 0.409 nan 8.270 nan 0.000 0.437 87 L N 0.344 121.367 121.223 -0.334 0.000 2.017 87 L HA -0.148 4.195 4.340 0.005 0.000 0.208 87 L C 2.501 179.357 176.870 -0.022 0.000 1.073 87 L CA 1.068 55.677 54.840 -0.385 0.000 0.745 87 L CB -0.501 41.011 42.059 -0.911 0.000 0.894 87 L HN 0.110 nan 8.230 nan 0.000 0.432 88 L N -0.300 121.022 121.223 0.165 0.000 2.079 88 L HA -0.239 4.105 4.340 0.005 0.000 0.210 88 L C 2.376 179.354 176.870 0.179 0.000 1.081 88 L CA 1.080 56.099 54.840 0.297 0.000 0.752 88 L CB -0.570 41.655 42.059 0.277 0.000 0.896 88 L HN 0.383 nan 8.230 nan 0.000 0.433 89 N N -0.170 118.589 118.700 0.098 0.000 2.216 89 N HA -0.177 4.567 4.740 0.005 0.000 0.183 89 N C 1.940 177.491 175.510 0.068 0.000 1.017 89 N CA 0.865 53.959 53.050 0.073 0.000 0.861 89 N CB -0.188 38.322 38.487 0.037 0.000 0.986 89 N HN 0.167 nan 8.380 nan 0.000 0.428 90 R N 1.395 121.925 120.500 0.049 0.000 2.081 90 R HA -0.019 4.324 4.340 0.005 0.000 0.235 90 R C 2.026 178.385 176.300 0.098 0.000 1.131 90 R CA 0.846 56.977 56.100 0.051 0.000 0.960 90 R CB -0.980 29.324 30.300 0.008 0.000 0.856 90 R HN 0.188 nan 8.270 nan 0.000 0.436 91 L N 0.284 121.602 121.223 0.158 0.000 2.046 91 L HA 0.038 4.382 4.340 0.005 0.000 0.208 91 L C 2.104 179.057 176.870 0.138 0.000 1.077 91 L CA 2.266 57.218 54.840 0.186 0.000 0.747 91 L CB -1.043 41.181 42.059 0.276 0.000 0.896 91 L HN 0.258 nan 8.230 nan 0.000 0.432 92 A N -0.809 122.089 122.820 0.131 0.000 1.902 92 A HA -0.221 4.102 4.320 0.005 0.000 0.217 92 A C 2.011 179.652 177.584 0.094 0.000 1.181 92 A CA 1.852 53.956 52.037 0.111 0.000 0.623 92 A CB -0.888 18.177 19.000 0.109 0.000 0.818 92 A HN 0.529 nan 8.150 nan 0.000 0.443 93 D N -0.037 120.414 120.400 0.086 0.000 2.144 93 D HA -0.107 4.536 4.640 0.005 0.000 0.199 93 D C 1.883 178.233 176.300 0.083 0.000 0.984 93 D CA 0.967 55.012 54.000 0.075 0.000 0.834 93 D CB -0.246 40.592 40.800 0.062 0.000 0.955 93 D HN 0.474 nan 8.370 nan 0.000 0.465 94 L N 0.074 121.353 121.223 0.093 0.000 2.109 94 L HA -0.022 4.321 4.340 0.005 0.000 0.207 94 L C 2.418 179.366 176.870 0.131 0.000 1.086 94 L CA 0.448 55.349 54.840 0.102 0.000 0.760 94 L CB -0.131 41.985 42.059 0.096 0.000 0.910 94 L HN 0.002 nan 8.230 nan 0.000 0.437 95 I N -0.119 120.530 120.570 0.131 0.000 2.315 95 I HA -0.275 3.899 4.170 0.005 0.000 0.248 95 I C 2.568 178.760 176.117 0.124 0.000 1.117 95 I CA 1.174 62.562 61.300 0.148 0.000 1.404 95 I CB -0.117 37.959 38.000 0.126 0.000 1.071 95 I HN 0.317 nan 8.210 nan 0.000 0.419 96 E N 1.313 121.570 120.200 0.096 0.000 2.051 96 E HA -0.287 4.066 4.350 0.005 0.000 0.192 96 E C 2.391 179.052 176.600 0.103 0.000 0.991 96 E CA 1.210 57.657 56.400 0.078 0.000 0.799 96 E CB -0.073 29.665 29.700 0.064 0.000 0.748 96 E HN 0.221 nan 8.360 nan 0.000 0.449 97 R N 0.298 120.861 120.500 0.106 0.000 2.113 97 R HA -0.183 4.161 4.340 0.005 0.000 0.244 97 R C 0.493 176.876 176.300 0.139 0.000 1.142 97 R CA 2.038 58.204 56.100 0.110 0.000 0.953 97 R CB -0.165 30.193 30.300 0.096 0.000 0.860 97 R HN 0.172 nan 8.270 nan 0.000 0.438 98 D N -0.447 120.054 120.400 0.168 0.000 2.460 98 D HA 0.022 4.666 4.640 0.005 0.000 0.229 98 D C 1.101 177.543 176.300 0.236 0.000 1.170 98 D CA 0.022 54.149 54.000 0.213 0.000 0.827 98 D CB 0.195 41.165 40.800 0.283 0.000 0.973 98 D HN 0.268 nan 8.370 nan 0.000 0.496 99 R N 0.469 121.089 120.500 0.200 0.000 2.081 99 R HA -0.136 4.207 4.340 0.005 0.000 0.235 99 R C 1.930 178.402 176.300 0.287 0.000 1.131 99 R CA 1.909 58.114 56.100 0.173 0.000 0.960 99 R CB -0.062 30.287 30.300 0.081 0.000 0.856 99 R HN 0.206 nan 8.270 nan 0.000 0.436 100 T N -1.856 112.929 114.554 0.386 0.000 2.857 100 T HA -0.193 4.161 4.350 0.005 0.000 0.266 100 T C 1.820 176.742 174.700 0.369 0.000 1.048 100 T CA 1.125 63.500 62.100 0.459 0.000 1.139 100 T CB -0.662 68.424 68.868 0.363 0.000 0.874 100 T HN 0.404 nan 8.240 nan 0.000 0.455 101 Y N 2.199 122.596 120.300 0.161 0.000 2.070 101 Y HA -0.019 4.534 4.550 0.006 0.000 0.280 101 Y C 2.170 178.101 175.900 0.050 0.000 1.148 101 Y CA 1.234 59.375 58.100 0.068 0.000 1.125 101 Y CB -0.667 37.775 38.460 -0.030 0.000 0.975 101 Y HN 0.145 nan 8.280 nan 0.000 0.492 102 L N -0.199 121.029 121.223 0.008 0.000 2.079 102 L HA -0.253 4.090 4.340 0.005 0.000 0.210 102 L C 2.745 179.592 176.870 -0.038 0.000 1.081 102 L CA 1.231 56.018 54.840 -0.089 0.000 0.752 102 L CB -0.880 41.228 42.059 0.082 0.000 0.896 102 L HN 0.421 nan 8.230 nan 0.000 0.433 103 A N -0.315 122.563 122.820 0.097 0.000 1.898 103 A HA -0.124 4.199 4.320 0.005 0.000 0.216 103 A C 2.502 180.224 177.584 0.231 0.000 1.181 103 A CA 1.575 53.695 52.037 0.138 0.000 0.620 103 A CB -0.637 18.471 19.000 0.180 0.000 0.819 103 A HN 0.398 nan 8.150 nan 0.000 0.442 104 A N -0.564 122.460 122.820 0.339 0.000 1.898 104 A HA 0.004 4.327 4.320 0.005 0.000 0.216 104 A C 2.093 179.763 177.584 0.143 0.000 1.181 104 A CA 1.660 53.917 52.037 0.367 0.000 0.620 104 A CB -0.595 18.552 19.000 0.245 0.000 0.819 104 A HN 0.622 nan 8.150 nan 0.000 0.442 105 L N -0.000 121.139 121.223 -0.140 0.000 2.083 105 L HA -0.125 4.218 4.340 0.005 0.000 0.209 105 L C 2.180 178.995 176.870 -0.093 0.000 1.083 105 L CA 2.649 57.359 54.840 -0.215 0.000 0.752 105 L CB -0.705 41.045 42.059 -0.515 0.000 0.899 105 L HN 0.517 nan 8.230 nan 0.000 0.433 106 E N -1.030 119.128 120.200 -0.070 0.000 2.051 106 E HA -0.191 4.162 4.350 0.005 0.000 0.192 106 E C 2.044 178.598 176.600 -0.077 0.000 0.991 106 E CA 2.044 58.413 56.400 -0.051 0.000 0.799 106 E CB -0.358 29.319 29.700 -0.038 0.000 0.748 106 E HN 0.475 nan 8.360 nan 0.000 0.449 107 T N 0.674 115.164 114.554 -0.107 0.000 2.788 107 T HA -0.142 4.211 4.350 0.005 0.000 0.268 107 T C 1.723 176.303 174.700 -0.200 0.000 1.044 107 T CA 1.171 63.121 62.100 -0.250 0.000 1.139 107 T CB -0.332 68.200 68.868 -0.559 0.000 0.867 107 T HN 0.106 nan 8.240 nan 0.000 0.454 108 L N 0.999 122.196 121.223 -0.043 0.000 2.046 108 L HA -0.069 4.274 4.340 0.005 0.000 0.208 108 L C 2.035 178.904 176.870 -0.002 0.000 1.077 108 L CA 1.814 56.695 54.840 0.067 0.000 0.747 108 L CB -0.276 41.856 42.059 0.123 0.000 0.896 108 L HN 0.086 nan 8.230 nan 0.000 0.432 109 D N -1.836 118.550 120.400 -0.023 0.000 2.277 109 D HA -0.121 4.522 4.640 0.005 0.000 0.209 109 D C 1.871 178.154 176.300 -0.028 0.000 0.970 109 D CA 0.629 54.620 54.000 -0.016 0.000 0.874 109 D CB 0.067 40.866 40.800 -0.001 0.000 0.982 109 D HN 0.353 nan 8.370 nan 0.000 0.504 110 N N -0.654 118.016 118.700 -0.051 0.000 2.439 110 N HA -0.002 4.741 4.740 0.005 0.000 0.176 110 N C 1.377 176.822 175.510 -0.109 0.000 1.029 110 N CA 1.657 54.671 53.050 -0.059 0.000 0.886 110 N CB 0.858 39.311 38.487 -0.056 0.000 1.057 110 N HN 0.253 nan 8.380 nan 0.000 0.437 111 G N 1.325 110.040 108.800 -0.142 0.000 2.238 111 G HA2 -0.247 3.717 3.960 0.005 0.000 0.217 111 G HA3 -0.247 3.717 3.960 0.005 0.000 0.217 111 G C -0.089 174.694 174.900 -0.195 0.000 0.996 111 G CA 0.333 45.327 45.100 -0.177 0.000 0.632 111 G HN 0.682 nan 8.290 nan 0.000 0.503 112 K N 1.191 121.468 120.400 -0.205 0.000 2.355 112 K HA 0.484 4.807 4.320 0.005 0.000 0.270 112 K C -2.662 173.815 176.600 -0.204 0.000 1.003 112 K CA -1.255 54.898 56.287 -0.224 0.000 0.957 112 K CB 0.565 32.901 32.500 -0.274 0.000 0.939 112 K HN 0.076 nan 8.250 nan 0.000 0.482 113 P HA -0.116 nan 4.420 nan 0.000 0.265 113 P C -0.335 176.907 177.300 -0.097 0.000 1.193 113 P CA -0.023 63.009 63.100 -0.113 0.000 0.765 113 P CB 0.153 31.819 31.700 -0.056 0.000 0.823 114 Y N 4.327 124.492 120.300 -0.225 0.000 2.207 114 Y HA -0.240 4.313 4.550 0.005 0.000 0.287 114 Y C 1.791 177.700 175.900 0.014 0.000 1.156 114 Y CA 1.717 59.733 58.100 -0.140 0.000 1.182 114 Y CB -0.772 37.625 38.460 -0.105 0.000 0.979 114 Y HN 0.069 nan 8.280 nan 0.000 0.521 115 V N 0.273 120.146 119.914 -0.069 0.000 2.343 115 V HA -0.317 3.806 4.120 0.005 0.000 0.247 115 V C 2.320 178.384 176.094 -0.050 0.000 1.051 115 V CA 1.718 63.963 62.300 -0.092 0.000 1.036 115 V CB -0.627 31.216 31.823 0.032 0.000 0.654 115 V HN 0.421 nan 8.190 nan 0.000 0.451 116 I N -0.196 120.360 120.570 -0.023 0.000 2.286 116 I HA -0.129 4.045 4.170 0.005 0.000 0.245 116 I C 2.602 178.720 176.117 0.002 0.000 1.104 116 I CA 1.357 62.675 61.300 0.030 0.000 1.397 116 I CB -1.438 36.566 38.000 0.008 0.000 1.072 116 I HN 0.254 nan 8.210 nan 0.000 0.417 117 S N 0.181 115.838 115.700 -0.072 0.000 2.365 117 S HA -0.255 4.219 4.470 0.005 0.000 0.225 117 S C 2.058 176.617 174.600 -0.068 0.000 1.039 117 S CA 1.586 59.744 58.200 -0.069 0.000 1.033 117 S CB -0.523 62.628 63.200 -0.082 0.000 0.887 117 S HN 0.468 nan 8.310 nan 0.000 0.447 118 Y N 1.464 121.592 120.300 -0.287 0.000 2.153 118 Y HA 0.043 4.596 4.550 0.005 0.000 0.289 118 Y C 1.907 177.742 175.900 -0.107 0.000 1.127 118 Y CA 1.374 59.322 58.100 -0.253 0.000 1.131 118 Y CB -0.178 37.995 38.460 -0.478 0.000 0.995 118 Y HN 0.126 nan 8.280 nan 0.000 0.505 119 L N -1.453 119.811 121.223 0.069 0.000 2.270 119 L HA -0.058 4.285 4.340 0.005 0.000 0.210 119 L C 1.643 178.532 176.870 0.032 0.000 1.104 119 L CA 0.281 55.160 54.840 0.064 0.000 0.804 119 L CB -0.103 42.035 42.059 0.132 0.000 0.937 119 L HN 0.149 nan 8.230 nan 0.000 0.450 120 V N -1.016 118.933 119.914 0.058 0.000 2.784 120 V HA -0.044 4.079 4.120 0.005 0.000 0.231 120 V C 1.626 177.756 176.094 0.059 0.000 1.128 120 V CA 0.911 63.271 62.300 0.099 0.000 1.178 120 V CB -0.244 31.721 31.823 0.236 0.000 0.943 120 V HN 0.177 nan 8.190 nan 0.000 0.500 121 D N 0.815 121.256 120.400 0.068 0.000 2.092 121 D HA -0.168 4.475 4.640 0.005 0.000 0.193 121 D C 2.095 178.391 176.300 -0.006 0.000 0.994 121 D CA 1.289 55.316 54.000 0.045 0.000 0.828 121 D CB -0.202 40.629 40.800 0.052 0.000 0.963 121 D HN 0.095 nan 8.370 nan 0.000 0.450 122 L N 0.581 121.773 121.223 -0.052 0.000 2.093 122 L HA -0.139 4.204 4.340 0.005 0.000 0.208 122 L C 1.951 178.773 176.870 -0.079 0.000 1.085 122 L CA 1.554 56.347 54.840 -0.079 0.000 0.755 122 L CB -0.930 41.029 42.059 -0.165 0.000 0.904 122 L HN 0.089 nan 8.230 nan 0.000 0.435 123 D N -0.322 120.018 120.400 -0.099 0.000 2.117 123 D HA -0.211 4.433 4.640 0.005 0.000 0.197 123 D C 2.348 178.653 176.300 0.009 0.000 0.987 123 D CA 1.285 55.250 54.000 -0.057 0.000 0.829 123 D CB 0.116 40.886 40.800 -0.051 0.000 0.961 123 D HN 0.174 nan 8.370 nan 0.000 0.460 124 M N -0.586 119.029 119.600 0.026 0.000 2.175 124 M HA -0.108 4.375 4.480 0.005 0.000 0.264 124 M C 2.213 178.577 176.300 0.107 0.000 1.063 124 M CA 0.610 55.953 55.300 0.071 0.000 1.119 124 M CB -0.025 32.608 32.600 0.055 0.000 1.377 124 M HN -0.022 nan 8.290 nan 0.000 0.415 125 V N 1.099 121.056 119.914 0.071 0.000 2.255 125 V HA -0.277 3.846 4.120 0.005 0.000 0.247 125 V C 2.338 178.501 176.094 0.115 0.000 1.051 125 V CA 1.788 64.145 62.300 0.096 0.000 1.018 125 V CB -0.670 31.188 31.823 0.058 0.000 0.641 125 V HN 0.457 nan 8.190 nan 0.000 0.445 126 L N -0.622 120.648 121.223 0.078 0.000 2.042 126 L HA -0.238 4.106 4.340 0.005 0.000 0.210 126 L C 2.601 179.534 176.870 0.106 0.000 1.076 126 L CA 1.859 56.748 54.840 0.082 0.000 0.749 126 L CB -0.625 41.460 42.059 0.043 0.000 0.893 126 L HN 0.296 nan 8.230 nan 0.000 0.432 127 K N -0.986 119.475 120.400 0.101 0.000 2.097 127 K HA -0.181 4.142 4.320 0.005 0.000 0.205 127 K C 2.294 178.992 176.600 0.164 0.000 1.050 127 K CA 1.456 57.810 56.287 0.110 0.000 0.938 127 K CB -0.413 32.134 32.500 0.079 0.000 0.718 127 K HN 0.381 nan 8.250 nan 0.000 0.442 128 C N 1.233 120.655 119.300 0.205 0.000 2.436 128 C HA -0.068 4.395 4.460 0.005 0.000 0.277 128 C C 2.420 177.638 174.990 0.379 0.000 1.241 128 C CA 0.676 59.877 59.018 0.304 0.000 1.721 128 C CB -0.908 27.070 27.740 0.397 0.000 2.043 128 C HN 0.398 nan 8.230 nan 0.000 0.472 129 L N 0.215 121.614 121.223 0.293 0.000 2.046 129 L HA -0.112 4.231 4.340 0.005 0.000 0.208 129 L C 3.009 180.025 176.870 0.243 0.000 1.077 129 L CA 1.690 56.695 54.840 0.274 0.000 0.747 129 L CB -0.679 41.499 42.059 0.199 0.000 0.896 129 L HN 0.350 nan 8.230 nan 0.000 0.432 130 R N -1.332 119.282 120.500 0.190 0.000 2.092 130 R HA -0.189 4.154 4.340 0.005 0.000 0.231 130 R C 2.272 178.645 176.300 0.122 0.000 1.119 130 R CA 1.386 57.567 56.100 0.136 0.000 0.970 130 R CB -0.440 29.923 30.300 0.104 0.000 0.864 130 R HN 0.260 nan 8.270 nan 0.000 0.440 131 Y N 0.256 120.566 120.300 0.017 0.000 2.097 131 Y HA -0.295 4.258 4.550 0.006 0.000 0.282 131 Y C 1.660 177.514 175.900 -0.078 0.000 1.152 131 Y CA 1.586 59.630 58.100 -0.093 0.000 1.136 131 Y CB -0.455 37.900 38.460 -0.175 0.000 0.975 131 Y HN 0.014 nan 8.280 nan 0.000 0.498 132 Y N -0.346 120.047 120.300 0.155 0.000 2.373 132 Y HA -0.103 4.450 4.550 0.005 0.000 0.293 132 Y C 2.603 178.551 175.900 0.080 0.000 1.129 132 Y CA 0.674 58.848 58.100 0.123 0.000 1.226 132 Y CB -0.599 37.977 38.460 0.194 0.000 1.000 132 Y HN 0.278 nan 8.280 nan 0.000 0.549 133 A N 0.384 123.321 122.820 0.194 0.000 1.892 133 A HA -0.234 4.090 4.320 0.005 0.000 0.218 133 A C 2.538 180.146 177.584 0.039 0.000 1.188 133 A CA 2.006 54.117 52.037 0.123 0.000 0.631 133 A CB -1.545 17.511 19.000 0.092 0.000 0.822 133 A HN 0.481 nan 8.150 nan 0.000 0.447 134 G N -2.490 106.262 108.800 -0.080 0.000 2.448 134 G HA2 -0.240 3.723 3.960 0.005 0.000 0.219 134 G HA3 -0.240 3.723 3.960 0.005 0.000 0.219 134 G C 1.350 176.116 174.900 -0.222 0.000 1.127 134 G CA 0.797 45.773 45.100 -0.206 0.000 0.766 134 G HN 0.698 nan 8.290 nan 0.000 0.552 135 W N 0.531 121.732 121.300 -0.164 0.000 2.770 135 W HA 0.318 4.981 4.660 0.005 0.000 0.256 135 W C 2.746 179.249 176.519 -0.027 0.000 1.291 135 W CA 0.110 57.385 57.345 -0.117 0.000 1.396 135 W CB 0.315 29.708 29.460 -0.112 0.000 1.114 135 W HN 0.253 nan 8.180 nan 0.000 0.637 136 A N 1.105 124.058 122.820 0.221 0.000 1.927 136 A HA -0.284 4.039 4.320 0.005 0.000 0.220 136 A C 1.373 179.033 177.584 0.127 0.000 1.185 136 A CA 2.381 54.511 52.037 0.156 0.000 0.639 136 A CB -0.815 18.248 19.000 0.104 0.000 0.820 136 A HN 0.355 nan 8.150 nan 0.000 0.451 137 D N -2.243 118.216 120.400 0.099 0.000 2.559 137 D HA 0.213 4.856 4.640 0.005 0.000 0.234 137 D C 0.422 176.757 176.300 0.058 0.000 1.226 137 D CA -0.050 53.993 54.000 0.072 0.000 0.830 137 D CB 0.028 40.858 40.800 0.049 0.000 1.028 137 D HN 0.460 nan 8.370 nan 0.000 0.492 138 K N -0.511 119.939 120.400 0.084 0.000 2.520 138 K HA 0.062 4.386 4.320 0.005 0.000 0.206 138 K C -0.679 175.856 176.600 -0.107 0.000 1.122 138 K CA -0.500 55.762 56.287 -0.043 0.000 1.045 138 K CB 0.854 33.359 32.500 0.009 0.000 0.932 138 K HN -0.016 nan 8.250 nan 0.000 0.571 139 Y N 2.522 122.746 120.300 -0.126 0.000 2.880 139 Y HA 0.205 4.758 4.550 0.005 0.000 0.329 139 Y C -0.539 175.274 175.900 -0.146 0.000 1.156 139 Y CA -1.239 56.795 58.100 -0.109 0.000 1.348 139 Y CB -0.528 37.916 38.460 -0.027 0.000 1.280 139 Y HN 0.083 nan 8.280 nan 0.000 0.516 140 H N 1.442 120.426 119.070 -0.144 0.000 2.629 140 H HA 0.442 5.001 4.556 0.005 0.000 0.357 140 H C 0.895 175.831 175.328 -0.653 0.000 1.121 140 H CA 0.169 56.062 56.048 -0.257 0.000 1.406 140 H CB 0.901 30.581 29.762 -0.137 0.000 1.456 140 H HN 0.750 nan 8.280 nan 0.000 0.579 141 G N 0.920 109.409 108.800 -0.519 0.000 2.535 141 G HA2 0.363 4.326 3.960 0.005 0.000 0.282 141 G HA3 0.363 4.326 3.960 0.005 0.000 0.282 141 G C -0.673 174.066 174.900 -0.269 0.000 1.350 141 G CA -0.827 43.846 45.100 -0.712 0.000 1.039 141 G HN 0.541 nan 8.290 nan 0.000 0.509 142 K N -0.581 119.739 120.400 -0.133 0.000 2.328 142 K HA 0.520 4.843 4.320 0.005 0.000 0.246 142 K C -0.605 176.023 176.600 0.046 0.000 0.955 142 K CA -0.625 55.642 56.287 -0.033 0.000 0.817 142 K CB 2.046 34.539 32.500 -0.012 0.000 1.208 142 K HN 0.599 nan 8.250 nan 0.000 0.432 143 T N -0.609 113.987 114.554 0.070 0.000 2.795 143 T HA 0.608 4.962 4.350 0.005 0.000 0.282 143 T C -0.010 174.758 174.700 0.112 0.000 0.980 143 T CA -0.736 61.454 62.100 0.149 0.000 1.012 143 T CB 0.157 69.162 68.868 0.228 0.000 0.936 143 T HN 0.379 nan 8.240 nan 0.000 0.457 144 I N 4.574 125.210 120.570 0.109 0.000 2.436 144 I HA 0.350 4.523 4.170 0.005 0.000 0.289 144 I C -2.074 174.101 176.117 0.097 0.000 1.010 144 I CA -2.870 58.473 61.300 0.071 0.000 1.098 144 I CB 2.695 40.710 38.000 0.025 0.000 1.266 144 I HN 0.463 nan 8.210 nan 0.000 0.434 145 P HA 0.181 nan 4.420 nan 0.000 0.228 145 P C 0.166 177.515 177.300 0.081 0.000 1.748 145 P CA -0.050 63.102 63.100 0.088 0.000 0.909 145 P CB -0.216 31.522 31.700 0.063 0.000 1.882 146 I N 0.601 121.225 120.570 0.089 0.000 2.872 146 I HA -0.057 4.116 4.170 0.005 0.000 0.291 146 I C 0.283 176.472 176.117 0.120 0.000 1.216 146 I CA 0.116 61.465 61.300 0.082 0.000 1.424 146 I CB 0.485 38.522 38.000 0.061 0.000 1.351 146 I HN -0.004 nan 8.210 nan 0.000 0.592 147 D N 5.448 125.909 120.400 0.102 0.000 2.478 147 D HA 0.369 5.013 4.640 0.005 0.000 0.234 147 D C 0.394 176.829 176.300 0.225 0.000 1.154 147 D CA 1.505 55.577 54.000 0.121 0.000 0.874 147 D CB 0.643 41.497 40.800 0.090 0.000 1.198 147 D HN 0.963 nan 8.370 nan 0.000 0.455 148 G N 2.058 110.960 108.800 0.170 0.000 2.710 148 G HA2 -0.180 3.783 3.960 0.005 0.000 0.668 148 G HA3 -0.180 3.783 3.960 0.005 0.000 0.668 148 G C -0.808 174.075 174.900 -0.028 0.000 1.320 148 G CA -0.746 44.442 45.100 0.147 0.000 0.860 148 G HN 0.492 nan 8.290 nan 0.000 0.538 149 D N 1.003 121.142 120.400 -0.435 0.000 2.619 149 D HA 0.489 5.132 4.640 0.005 0.000 0.224 149 D C -0.138 175.678 176.300 -0.806 0.000 1.133 149 D CA 0.892 54.597 54.000 -0.493 0.000 1.017 149 D CB -0.477 40.081 40.800 -0.404 0.000 1.077 149 D HN 0.278 nan 8.370 nan 0.000 0.503 150 F N 0.311 120.305 119.950 0.073 0.000 2.599 150 F HA 0.385 4.915 4.527 0.005 0.000 0.311 150 F C -0.380 175.531 175.800 0.186 0.000 1.076 150 F CA -1.496 56.563 58.000 0.099 0.000 0.937 150 F CB 1.643 40.672 39.000 0.049 0.000 1.282 150 F HN -0.145 nan 8.300 nan 0.000 0.460 151 F N 2.157 122.246 119.950 0.231 0.000 2.375 151 F HA 0.636 5.166 4.527 0.005 0.000 0.361 151 F C -0.537 175.379 175.800 0.193 0.000 1.117 151 F CA -0.983 57.124 58.000 0.179 0.000 1.037 151 F CB 1.012 40.105 39.000 0.154 0.000 1.192 151 F HN 0.265 nan 8.300 nan 0.000 0.452 152 S N 6.926 122.579 115.700 -0.078 0.000 2.454 152 S HA 0.753 5.227 4.470 0.005 0.000 0.306 152 S C -1.287 173.152 174.600 -0.267 0.000 1.100 152 S CA -0.288 57.761 58.200 -0.252 0.000 1.087 152 S CB 0.436 63.574 63.200 -0.104 0.000 1.019 152 S HN 0.681 nan 8.310 nan 0.000 0.480 153 Y N 0.410 120.454 120.300 -0.426 0.000 2.625 153 Y HA 0.789 5.342 4.550 0.005 0.000 0.338 153 Y C -0.519 175.277 175.900 -0.172 0.000 1.123 153 Y CA -1.104 56.825 58.100 -0.285 0.000 1.046 153 Y CB 0.859 39.108 38.460 -0.351 0.000 1.299 153 Y HN 0.509 nan 8.280 nan 0.000 0.464 154 T N -0.233 114.353 114.554 0.054 0.000 2.856 154 T HA 0.670 5.023 4.350 0.005 0.000 0.283 154 T C -0.812 173.966 174.700 0.130 0.000 1.008 154 T CA -1.051 61.064 62.100 0.025 0.000 0.997 154 T CB 1.612 70.513 68.868 0.055 0.000 0.992 154 T HN 0.798 nan 8.240 nan 0.000 0.454 155 R N 1.405 121.985 120.500 0.134 0.000 2.346 155 R HA 0.311 4.654 4.340 0.005 0.000 0.311 155 R C -0.275 176.175 176.300 0.250 0.000 0.983 155 R CA -0.655 55.541 56.100 0.160 0.000 0.880 155 R CB 0.870 31.258 30.300 0.147 0.000 1.100 155 R HN 0.733 nan 8.270 nan 0.000 0.453 156 H N 2.555 121.657 119.070 0.053 0.000 2.818 156 H HA 0.110 4.669 4.556 0.005 0.000 0.269 156 H C -0.307 175.085 175.328 0.107 0.000 1.277 156 H CA -0.355 55.734 56.048 0.069 0.000 1.290 156 H CB 0.761 30.546 29.762 0.038 0.000 1.479 156 H HN 0.411 nan 8.280 nan 0.000 0.507 157 E N 3.815 124.134 120.200 0.199 0.000 2.280 157 E HA 0.217 4.571 4.350 0.005 0.000 0.264 157 E C -2.393 174.324 176.600 0.196 0.000 1.064 157 E CA -2.264 54.240 56.400 0.173 0.000 0.900 157 E CB 0.878 30.666 29.700 0.146 0.000 1.123 157 E HN 0.370 nan 8.360 nan 0.000 0.418 158 P HA -0.086 nan 4.420 nan 0.000 0.269 158 P C 0.516 177.957 177.300 0.236 0.000 1.215 158 P CA 0.053 63.329 63.100 0.293 0.000 0.780 158 P CB 0.634 32.639 31.700 0.509 0.000 0.898 159 V N 1.472 121.460 119.914 0.124 0.000 2.667 159 V HA 0.094 4.218 4.120 0.005 0.000 0.252 159 V C 1.107 177.143 176.094 -0.097 0.000 1.065 159 V CA 2.580 64.900 62.300 0.034 0.000 1.083 159 V CB -1.043 30.782 31.823 0.004 0.000 0.692 159 V HN 0.978 nan 8.190 nan 0.000 0.468 160 G N -0.795 107.805 108.800 -0.333 0.000 2.390 160 G HA2 -0.145 3.818 3.960 0.005 0.000 0.202 160 G HA3 -0.145 3.818 3.960 0.005 0.000 0.202 160 G C -0.431 174.040 174.900 -0.715 0.000 1.210 160 G CA -0.219 44.262 45.100 -1.032 0.000 1.271 160 G HN 0.494 nan 8.290 nan 0.000 0.543 161 V N 1.242 120.881 119.914 -0.459 0.000 2.405 161 V HA 0.413 4.537 4.120 0.005 0.000 0.264 161 V C 0.414 176.433 176.094 -0.125 0.000 1.048 161 V CA -0.173 61.982 62.300 -0.241 0.000 0.966 161 V CB 0.340 32.057 31.823 -0.176 0.000 1.015 161 V HN 0.811 nan 8.190 nan 0.000 0.477 162 C N 4.934 124.199 119.300 -0.059 0.000 2.264 162 C HA 0.662 5.126 4.460 0.005 0.000 0.324 162 C C 1.102 176.109 174.990 0.027 0.000 1.267 162 C CA -0.956 58.080 59.018 0.031 0.000 1.618 162 C CB 0.238 28.083 27.740 0.175 0.000 2.278 162 C HN 1.005 nan 8.230 nan 0.000 0.499 163 G N 3.183 111.999 108.800 0.027 0.000 2.355 163 G HA2 0.487 4.450 3.960 0.005 0.000 0.276 163 G HA3 0.487 4.450 3.960 0.005 0.000 0.276 163 G C -0.699 174.250 174.900 0.081 0.000 1.198 163 G CA -0.102 45.020 45.100 0.037 0.000 0.876 163 G HN 0.815 nan 8.290 nan 0.000 0.478 164 Q N 1.688 121.537 119.800 0.081 0.000 2.309 164 Q HA 0.411 4.754 4.340 0.005 0.000 0.270 164 Q C -0.813 175.244 176.000 0.096 0.000 1.023 164 Q CA -0.437 55.426 55.803 0.100 0.000 0.758 164 Q CB 2.692 31.481 28.738 0.085 0.000 1.247 164 Q HN 0.518 nan 8.270 nan 0.000 0.455 165 I N 4.802 125.444 120.570 0.119 0.000 2.355 165 I HA 0.438 4.611 4.170 0.005 0.000 0.288 165 I C -0.153 175.964 176.117 -0.000 0.000 0.999 165 I CA -0.792 60.577 61.300 0.116 0.000 1.163 165 I CB 0.978 39.145 38.000 0.277 0.000 1.316 165 I HN 0.530 nan 8.210 nan 0.000 0.454 166 I N 5.120 125.688 120.570 -0.004 0.000 2.603 166 I HA 0.739 4.912 4.170 0.005 0.000 0.300 166 I C -2.702 173.372 176.117 -0.073 0.000 1.017 166 I CA -2.335 58.931 61.300 -0.057 0.000 1.098 166 I CB 1.767 39.759 38.000 -0.013 0.000 1.279 166 I HN 0.198 nan 8.210 nan 0.000 0.437 167 P HA 0.165 nan 4.420 nan 0.000 0.289 167 P C -0.075 177.166 177.300 -0.098 0.000 1.299 167 P CA -0.309 62.652 63.100 -0.232 0.000 0.766 167 P CB 0.257 31.720 31.700 -0.394 0.000 1.226 168 W N 0.025 121.329 121.300 0.006 0.000 3.107 168 W HA 0.089 4.753 4.660 0.005 0.000 0.293 168 W C 0.714 177.200 176.519 -0.055 0.000 1.239 168 W CA 0.194 57.535 57.345 -0.006 0.000 1.653 168 W CB -1.264 28.199 29.460 0.005 0.000 1.068 168 W HN 0.227 nan 8.180 nan 0.000 0.615 169 N N 1.783 120.316 118.700 -0.277 0.000 2.354 169 N HA -0.138 4.605 4.740 0.005 0.000 0.179 169 N C -0.163 174.988 175.510 -0.598 0.000 1.021 169 N CA 0.665 53.520 53.050 -0.326 0.000 0.887 169 N CB -1.036 37.148 38.487 -0.505 0.000 0.974 169 N HN 0.089 nan 8.380 nan 0.000 0.437 170 F N -0.205 119.637 119.950 -0.180 0.000 2.646 170 F HA 0.438 4.968 4.527 0.005 0.000 0.336 170 F C -1.814 173.879 175.800 -0.178 0.000 1.437 170 F CA -2.016 55.857 58.000 -0.211 0.000 1.142 170 F CB 2.064 40.847 39.000 -0.362 0.000 1.530 170 F HN -0.178 nan 8.300 nan 0.000 0.591 171 P HA -0.209 nan 4.420 nan 0.000 0.213 171 P C 1.991 179.298 177.300 0.011 0.000 1.176 171 P CA 1.672 64.790 63.100 0.029 0.000 0.919 171 P CB 0.433 32.161 31.700 0.048 0.000 0.791 172 L N -1.868 119.362 121.223 0.012 0.000 2.017 172 L HA -0.173 4.170 4.340 0.005 0.000 0.208 172 L C 2.486 179.335 176.870 -0.035 0.000 1.073 172 L CA 1.073 55.919 54.840 0.010 0.000 0.745 172 L CB -1.035 41.038 42.059 0.024 0.000 0.894 172 L HN -0.027 nan 8.230 nan 0.000 0.432 173 L N -0.846 120.321 121.223 -0.093 0.000 2.083 173 L HA -0.227 4.116 4.340 0.005 0.000 0.209 173 L C 2.447 179.055 176.870 -0.437 0.000 1.083 173 L CA 1.802 56.478 54.840 -0.273 0.000 0.752 173 L CB -0.399 41.398 42.059 -0.437 0.000 0.899 173 L HN 0.196 nan 8.230 nan 0.000 0.433 174 M N -1.058 118.339 119.600 -0.338 0.000 2.229 174 M HA -0.191 4.292 4.480 0.005 0.000 0.264 174 M C 2.210 178.486 176.300 -0.040 0.000 1.063 174 M CA 1.467 56.615 55.300 -0.253 0.000 1.114 174 M CB -1.162 31.339 32.600 -0.165 0.000 1.387 174 M HN 0.511 nan 8.290 nan 0.000 0.420 175 Q N -0.092 119.694 119.800 -0.024 0.000 2.079 175 Q HA -0.119 4.225 4.340 0.005 0.000 0.200 175 Q C 1.969 177.996 176.000 0.046 0.000 0.974 175 Q CA 1.855 57.668 55.803 0.016 0.000 0.840 175 Q CB 0.008 28.753 28.738 0.013 0.000 0.898 175 Q HN 0.449 nan 8.270 nan 0.000 0.430 176 A N 0.125 122.988 122.820 0.070 0.000 1.902 176 A HA -0.176 4.148 4.320 0.005 0.000 0.217 176 A C 1.535 179.281 177.584 0.269 0.000 1.181 176 A CA 1.192 53.318 52.037 0.149 0.000 0.623 176 A CB -1.145 17.962 19.000 0.179 0.000 0.818 176 A HN 0.634 nan 8.150 nan 0.000 0.443 177 W N 0.485 121.797 121.300 0.020 0.000 2.364 177 W HA -0.066 4.597 4.660 0.005 0.000 0.281 177 W C 1.990 178.493 176.519 -0.027 0.000 1.219 177 W CA 1.396 58.761 57.345 0.034 0.000 1.220 177 W CB -0.103 29.373 29.460 0.027 0.000 1.127 177 W HN 0.277 nan 8.180 nan 0.000 0.556 178 K N -0.653 119.847 120.400 0.167 0.000 2.190 178 K HA 0.134 4.457 4.320 0.005 0.000 0.202 178 K C 2.067 178.573 176.600 -0.157 0.000 1.045 178 K CA 0.510 56.816 56.287 0.030 0.000 0.976 178 K CB -0.977 31.569 32.500 0.077 0.000 0.849 178 K HN 0.184 nan 8.250 nan 0.000 0.468 179 L N 0.823 121.986 121.223 -0.099 0.000 2.046 179 L HA -0.102 4.241 4.340 0.005 0.000 0.208 179 L C 2.482 179.247 176.870 -0.175 0.000 1.077 179 L CA 1.470 56.220 54.840 -0.150 0.000 0.747 179 L CB -1.112 40.879 42.059 -0.113 0.000 0.896 179 L HN 0.281 nan 8.230 nan 0.000 0.432 180 G N 1.155 109.878 108.800 -0.129 0.000 2.586 180 G HA2 -0.243 3.721 3.960 0.005 0.000 0.218 180 G HA3 -0.243 3.721 3.960 0.005 0.000 0.218 180 G C -0.547 174.089 174.900 -0.439 0.000 1.216 180 G CA 1.115 46.138 45.100 -0.129 0.000 0.786 180 G HN 0.317 nan 8.290 nan 0.000 0.583 181 P HA -0.008 nan 4.420 nan 0.000 0.216 181 P C 2.138 179.089 177.300 -0.581 0.000 1.153 181 P CA 2.032 64.609 63.100 -0.872 0.000 0.844 181 P CB -0.222 30.983 31.700 -0.824 0.000 0.787 182 A N 0.659 122.973 122.820 -0.843 0.000 1.865 182 A HA -0.166 4.157 4.320 0.005 0.000 0.217 182 A C 2.481 179.964 177.584 -0.168 0.000 1.191 182 A CA 1.775 53.366 52.037 -0.744 0.000 0.623 182 A CB -1.669 16.872 19.000 -0.766 0.000 0.826 182 A HN 0.121 nan 8.150 nan 0.000 0.444 183 L N -1.095 120.095 121.223 -0.054 0.000 2.109 183 L HA -0.111 4.233 4.340 0.005 0.000 0.207 183 L C 3.079 180.126 176.870 0.295 0.000 1.086 183 L CA 0.843 55.845 54.840 0.270 0.000 0.760 183 L CB -0.668 41.545 42.059 0.256 0.000 0.910 183 L HN 0.443 nan 8.230 nan 0.000 0.437 184 A N 0.399 123.301 122.820 0.137 0.000 1.948 184 A HA -0.215 4.109 4.320 0.005 0.000 0.220 184 A C 2.189 179.833 177.584 0.100 0.000 1.177 184 A CA 2.315 54.439 52.037 0.144 0.000 0.636 184 A CB -0.867 18.232 19.000 0.164 0.000 0.815 184 A HN 0.522 nan 8.150 nan 0.000 0.449 185 T N -4.573 110.019 114.554 0.064 0.000 3.163 185 T HA 0.438 4.791 4.350 0.005 0.000 0.252 185 T C 1.180 175.952 174.700 0.119 0.000 1.056 185 T CA 0.924 63.072 62.100 0.080 0.000 0.947 185 T CB 0.076 68.978 68.868 0.057 0.000 1.016 185 T HN 1.718 nan 8.240 nan 0.000 0.554 186 G N 1.678 110.559 108.800 0.136 0.000 2.136 186 G HA2 -0.242 3.721 3.960 0.005 0.000 0.242 186 G HA3 -0.242 3.721 3.960 0.005 0.000 0.242 186 G C -0.041 175.161 174.900 0.504 0.000 0.989 186 G CA -0.290 44.868 45.100 0.097 0.000 0.682 186 G HN 0.600 nan 8.290 nan 0.000 0.522 187 N N -0.424 118.555 118.700 0.464 0.000 2.408 187 N HA 0.539 5.282 4.740 0.005 0.000 0.260 187 N C 0.589 176.349 175.510 0.416 0.000 1.242 187 N CA 0.548 53.822 53.050 0.373 0.000 0.959 187 N CB 1.776 40.360 38.487 0.162 0.000 1.201 187 N HN 0.679 nan 8.380 nan 0.000 0.511 188 V N -2.082 117.919 119.914 0.146 0.000 2.881 188 V HA 0.729 4.852 4.120 0.005 0.000 0.316 188 V C -0.084 175.976 176.094 -0.057 0.000 1.070 188 V CA -0.757 61.551 62.300 0.013 0.000 0.976 188 V CB 1.747 33.591 31.823 0.034 0.000 1.038 188 V HN 0.256 nan 8.190 nan 0.000 0.446 189 V N 2.489 122.349 119.914 -0.090 0.000 2.709 189 V HA 0.547 4.670 4.120 0.005 0.000 0.308 189 V C -0.587 175.467 176.094 -0.065 0.000 1.062 189 V CA -0.470 61.787 62.300 -0.071 0.000 0.901 189 V CB 2.192 33.963 31.823 -0.087 0.000 1.003 189 V HN 0.799 nan 8.190 nan 0.000 0.425 190 V N 5.766 125.653 119.914 -0.045 0.000 2.326 190 V HA 0.475 4.599 4.120 0.005 0.000 0.281 190 V C -0.146 175.948 176.094 0.000 0.000 1.015 190 V CA -0.273 62.006 62.300 -0.035 0.000 0.823 190 V CB 1.388 33.174 31.823 -0.061 0.000 1.009 190 V HN 0.894 nan 8.190 nan 0.000 0.436 191 M N 5.290 124.899 119.600 0.015 0.000 2.268 191 M HA 0.558 5.041 4.480 0.005 0.000 0.344 191 M C -0.599 175.737 176.300 0.061 0.000 1.106 191 M CA -0.483 54.839 55.300 0.037 0.000 1.010 191 M CB 1.189 33.803 32.600 0.024 0.000 1.649 191 M HN 0.381 nan 8.290 nan 0.000 0.443 192 K N 5.493 125.938 120.400 0.075 0.000 2.293 192 K HA 0.419 4.742 4.320 0.005 0.000 0.267 192 K C -1.216 175.445 176.600 0.102 0.000 1.010 192 K CA -0.357 55.986 56.287 0.094 0.000 0.875 192 K CB 0.899 33.461 32.500 0.102 0.000 1.106 192 K HN 0.686 nan 8.250 nan 0.000 0.450 193 V N 0.814 120.800 119.914 0.118 0.000 2.973 193 V HA 0.719 4.843 4.120 0.005 0.000 0.314 193 V C 0.301 176.489 176.094 0.156 0.000 1.066 193 V CA -1.109 61.267 62.300 0.127 0.000 1.021 193 V CB 1.239 33.144 31.823 0.137 0.000 1.076 193 V HN 0.714 nan 8.190 nan 0.000 0.462 194 A N 2.159 125.082 122.820 0.171 0.000 2.440 194 A HA 0.309 4.632 4.320 0.005 0.000 0.251 194 A C 1.243 178.967 177.584 0.233 0.000 1.089 194 A CA 0.313 52.481 52.037 0.219 0.000 0.779 194 A CB -0.067 19.118 19.000 0.308 0.000 1.022 194 A HN 1.184 nan 8.150 nan 0.000 0.492 195 E N 1.831 122.151 120.200 0.199 0.000 2.209 195 E HA -0.307 4.046 4.350 0.005 0.000 0.196 195 E C 1.029 177.799 176.600 0.283 0.000 0.993 195 E CA 1.775 58.307 56.400 0.219 0.000 0.819 195 E CB -0.210 29.520 29.700 0.051 0.000 0.745 195 E HN 0.807 nan 8.360 nan 0.000 0.477 196 Q N 0.612 120.509 119.800 0.161 0.000 2.230 196 Q HA -0.015 4.329 4.340 0.005 0.000 0.202 196 Q C 0.655 176.721 176.000 0.111 0.000 0.963 196 Q CA 1.744 57.584 55.803 0.061 0.000 0.866 196 Q CB 0.483 29.119 28.738 -0.169 0.000 0.931 196 Q HN 0.477 nan 8.270 nan 0.000 0.452 197 T N -4.230 110.430 114.554 0.177 0.000 3.734 197 T HA 0.344 4.697 4.350 0.005 0.000 0.238 197 T C -2.627 172.167 174.700 0.157 0.000 1.205 197 T CA -1.332 60.856 62.100 0.147 0.000 1.606 197 T CB 1.017 69.976 68.868 0.151 0.000 0.832 197 T HN -0.113 nan 8.240 nan 0.000 0.655 198 P HA 0.241 nan 4.420 nan 0.000 0.230 198 P C 1.623 179.007 177.300 0.140 0.000 1.168 198 P CA -0.012 63.200 63.100 0.187 0.000 0.793 198 P CB 0.204 32.053 31.700 0.248 0.000 0.851 199 L N -0.319 120.965 121.223 0.100 0.000 2.027 199 L HA -0.127 4.216 4.340 0.005 0.000 0.206 199 L C 2.498 179.446 176.870 0.131 0.000 1.074 199 L CA 2.370 57.262 54.840 0.087 0.000 0.745 199 L CB -1.977 40.102 42.059 0.034 0.000 0.898 199 L HN 0.112 nan 8.230 nan 0.000 0.433 200 T N -2.177 112.438 114.554 0.103 0.000 2.821 200 T HA -0.083 4.270 4.350 0.005 0.000 0.267 200 T C 1.969 176.774 174.700 0.175 0.000 1.046 200 T CA 0.901 63.078 62.100 0.129 0.000 1.139 200 T CB -0.359 68.547 68.868 0.063 0.000 0.871 200 T HN 0.302 nan 8.240 nan 0.000 0.454 201 A N 1.621 124.522 122.820 0.135 0.000 1.933 201 A HA 0.184 4.507 4.320 0.005 0.000 0.218 201 A C 2.419 180.078 177.584 0.124 0.000 1.175 201 A CA 1.168 53.271 52.037 0.111 0.000 0.628 201 A CB -0.844 18.213 19.000 0.095 0.000 0.814 201 A HN 0.544 nan 8.150 nan 0.000 0.444 202 L N -2.445 118.893 121.223 0.190 0.000 2.109 202 L HA -0.150 4.193 4.340 0.005 0.000 0.207 202 L C 2.553 179.600 176.870 0.295 0.000 1.086 202 L CA 1.524 56.535 54.840 0.285 0.000 0.760 202 L CB -0.610 41.622 42.059 0.289 0.000 0.910 202 L HN 0.559 nan 8.230 nan 0.000 0.437 203 Y N 0.270 120.673 120.300 0.172 0.000 2.224 203 Y HA -0.221 4.332 4.550 0.005 0.000 0.289 203 Y C 2.398 178.378 175.900 0.132 0.000 1.146 203 Y CA 1.434 59.653 58.100 0.198 0.000 1.182 203 Y CB -0.085 38.551 38.460 0.293 0.000 0.983 203 Y HN -0.165 nan 8.280 nan 0.000 0.524 204 V N 0.176 120.204 119.914 0.191 0.000 2.490 204 V HA -0.319 3.804 4.120 0.005 0.000 0.250 204 V C 2.590 178.594 176.094 -0.149 0.000 1.061 204 V CA 1.516 63.847 62.300 0.051 0.000 1.064 204 V CB -1.421 30.444 31.823 0.070 0.000 0.670 204 V HN 0.572 nan 8.190 nan 0.000 0.461 205 A N 0.342 123.002 122.820 -0.267 0.000 1.908 205 A HA -0.289 4.034 4.320 0.005 0.000 0.218 205 A C 2.071 179.232 177.584 -0.706 0.000 1.181 205 A CA 2.335 53.912 52.037 -0.766 0.000 0.627 205 A CB -0.783 17.448 19.000 -1.281 0.000 0.818 205 A HN 0.567 nan 8.150 nan 0.000 0.445 206 N N -0.076 118.454 118.700 -0.284 0.000 2.149 206 N HA -0.081 4.662 4.740 0.005 0.000 0.188 206 N C 1.540 176.969 175.510 -0.135 0.000 1.019 206 N CA 1.329 54.327 53.050 -0.087 0.000 0.857 206 N CB -0.360 38.069 38.487 -0.098 0.000 0.997 206 N HN 0.517 nan 8.380 nan 0.000 0.426 207 L N -0.156 120.954 121.223 -0.190 0.000 2.141 207 L HA -0.072 4.271 4.340 0.005 0.000 0.209 207 L C 1.968 178.843 176.870 0.009 0.000 1.094 207 L CA 0.691 55.485 54.840 -0.076 0.000 0.763 207 L CB -0.352 41.695 42.059 -0.021 0.000 0.908 207 L HN 0.205 nan 8.230 nan 0.000 0.437 208 I N 0.130 120.672 120.570 -0.047 0.000 2.179 208 I HA -0.323 3.850 4.170 0.005 0.000 0.242 208 I C 2.740 178.968 176.117 0.186 0.000 1.088 208 I CA 1.361 62.676 61.300 0.024 0.000 1.357 208 I CB -0.305 37.564 38.000 -0.218 0.000 1.051 208 I HN 0.257 nan 8.210 nan 0.000 0.409 209 K N 1.309 121.789 120.400 0.135 0.000 2.009 209 K HA -0.292 4.031 4.320 0.005 0.000 0.210 209 K C 2.124 178.804 176.600 0.134 0.000 1.049 209 K CA 2.095 58.490 56.287 0.182 0.000 0.929 209 K CB -0.208 32.419 32.500 0.211 0.000 0.714 209 K HN 0.263 nan 8.250 nan 0.000 0.440 210 E N -0.286 119.968 120.200 0.091 0.000 2.160 210 E HA -0.208 4.145 4.350 0.005 0.000 0.195 210 E C 1.665 178.315 176.600 0.083 0.000 0.991 210 E CA 1.075 57.515 56.400 0.067 0.000 0.810 210 E CB -0.126 29.592 29.700 0.030 0.000 0.742 210 E HN 0.482 nan 8.360 nan 0.000 0.466 211 A N -0.142 122.755 122.820 0.129 0.000 2.015 211 A HA 0.079 4.402 4.320 0.005 0.000 0.219 211 A C 1.923 179.538 177.584 0.051 0.000 1.163 211 A CA 1.488 53.599 52.037 0.124 0.000 0.646 211 A CB -0.295 18.855 19.000 0.251 0.000 0.806 211 A HN 0.530 nan 8.150 nan 0.000 0.448 212 G N -3.008 105.848 108.800 0.093 0.000 2.205 212 G HA2 -0.126 3.837 3.960 0.005 0.000 0.180 212 G HA3 -0.126 3.837 3.960 0.005 0.000 0.180 212 G C -0.011 174.903 174.900 0.024 0.000 1.004 212 G CA -0.279 44.844 45.100 0.037 0.000 0.670 212 G HN 0.246 nan 8.290 nan 0.000 0.496 213 F N 2.022 121.998 119.950 0.043 0.000 2.607 213 F HA 0.382 4.912 4.527 0.005 0.000 0.374 213 F C -1.185 174.598 175.800 -0.029 0.000 1.104 213 F CA -1.060 56.933 58.000 -0.011 0.000 1.296 213 F CB 0.388 39.321 39.000 -0.113 0.000 1.085 213 F HN -0.090 nan 8.300 nan 0.000 0.584 214 P HA 0.034 nan 4.420 nan 0.000 0.269 214 P C -2.435 174.863 177.300 -0.003 0.000 1.209 214 P CA -0.932 62.213 63.100 0.075 0.000 0.776 214 P CB -0.134 31.643 31.700 0.129 0.000 0.876 215 P HA -0.057 nan 4.420 nan 0.000 0.264 215 P C 0.915 178.153 177.300 -0.103 0.000 1.183 215 P CA 1.134 64.184 63.100 -0.084 0.000 0.763 215 P CB 0.131 31.787 31.700 -0.074 0.000 0.807 216 G N 1.645 110.351 108.800 -0.157 0.000 2.199 216 G HA2 -0.303 3.661 3.960 0.005 0.000 0.254 216 G HA3 -0.303 3.661 3.960 0.005 0.000 0.254 216 G C 0.855 175.662 174.900 -0.156 0.000 0.982 216 G CA 0.195 45.210 45.100 -0.142 0.000 0.632 216 G HN 0.393 nan 8.290 nan 0.000 0.529 217 V N -0.218 119.557 119.914 -0.231 0.000 2.379 217 V HA 0.101 4.224 4.120 0.005 0.000 0.245 217 V C 1.464 177.370 176.094 -0.312 0.000 1.044 217 V CA 1.938 63.988 62.300 -0.417 0.000 1.036 217 V CB 0.172 31.502 31.823 -0.821 0.000 0.664 217 V HN 0.379 nan 8.190 nan 0.000 0.453 218 V N 1.696 121.477 119.914 -0.221 0.000 2.487 218 V HA 0.497 4.621 4.120 0.005 0.000 0.298 218 V C -0.797 175.312 176.094 0.024 0.000 1.028 218 V CA -0.773 61.448 62.300 -0.131 0.000 0.860 218 V CB 1.715 33.418 31.823 -0.200 0.000 0.991 218 V HN 0.447 nan 8.190 nan 0.000 0.427 219 N N 5.075 123.782 118.700 0.013 0.000 2.249 219 N HA 0.649 5.393 4.740 0.005 0.000 0.296 219 N C -1.348 174.211 175.510 0.082 0.000 1.051 219 N CA -0.451 52.633 53.050 0.058 0.000 0.815 219 N CB 3.125 41.568 38.487 -0.073 0.000 1.487 219 N HN 0.490 nan 8.380 nan 0.000 0.475 220 I N 1.432 122.097 120.570 0.159 0.000 2.418 220 I HA 0.332 4.506 4.170 0.005 0.000 0.287 220 I C -0.516 175.687 176.117 0.143 0.000 1.008 220 I CA -0.995 60.381 61.300 0.126 0.000 1.104 220 I CB 2.154 40.225 38.000 0.118 0.000 1.264 220 I HN 0.067 nan 8.210 nan 0.000 0.438 221 V N 7.749 127.729 119.914 0.110 0.000 2.304 221 V HA 0.316 4.439 4.120 0.005 0.000 0.278 221 V C -2.287 173.886 176.094 0.131 0.000 1.018 221 V CA -1.712 60.655 62.300 0.111 0.000 0.814 221 V CB 1.112 32.971 31.823 0.061 0.000 1.021 221 V HN 0.545 nan 8.190 nan 0.000 0.440 222 P HA 0.625 nan 4.420 nan 0.000 0.274 222 P C 0.361 177.757 177.300 0.159 0.000 1.231 222 P CA 0.368 63.608 63.100 0.233 0.000 0.790 222 P CB 1.433 33.337 31.700 0.340 0.000 0.951 223 G N 0.281 109.084 108.800 0.006 0.000 2.351 223 G HA2 0.311 4.274 3.960 0.005 0.000 0.279 223 G HA3 0.311 4.274 3.960 0.005 0.000 0.279 223 G C -1.686 173.043 174.900 -0.285 0.000 1.297 223 G CA -0.734 44.154 45.100 -0.353 0.000 0.886 223 G HN 0.185 nan 8.290 nan 0.000 0.493 224 F N 0.805 120.627 119.950 -0.213 0.000 2.380 224 F HA 0.624 5.155 4.527 0.005 0.000 0.321 224 F C 1.734 177.504 175.800 -0.049 0.000 1.103 224 F CA -0.120 57.786 58.000 -0.158 0.000 1.067 224 F CB 0.968 39.881 39.000 -0.145 0.000 1.265 224 F HN 0.684 nan 8.300 nan 0.000 0.517 225 G N 0.744 109.663 108.800 0.197 0.000 2.434 225 G HA2 -0.107 3.856 3.960 0.005 0.000 0.214 225 G HA3 -0.107 3.856 3.960 0.005 0.000 0.214 225 G C -0.991 173.970 174.900 0.101 0.000 1.202 225 G CA 0.504 45.688 45.100 0.139 0.000 0.788 225 G HN 0.485 nan 8.290 nan 0.000 0.539 226 P HA -0.015 nan 4.420 nan 0.000 0.228 226 P C 1.775 179.112 177.300 0.062 0.000 1.151 226 P CA 1.954 65.086 63.100 0.053 0.000 0.770 226 P CB 0.027 31.750 31.700 0.039 0.000 0.786 227 T N -3.754 110.855 114.554 0.091 0.000 3.395 227 T HA 0.284 4.637 4.350 0.005 0.000 0.230 227 T C 1.949 176.681 174.700 0.054 0.000 0.958 227 T CA 0.627 62.769 62.100 0.070 0.000 1.377 227 T CB -1.105 67.809 68.868 0.076 0.000 1.124 227 T HN -0.092 nan 8.240 nan 0.000 0.425 228 A N 1.779 124.629 122.820 0.051 0.000 1.855 228 A HA 0.297 4.620 4.320 0.005 0.000 0.215 228 A C 2.673 180.297 177.584 0.067 0.000 1.191 228 A CA 1.834 53.899 52.037 0.047 0.000 0.613 228 A CB -1.723 17.296 19.000 0.032 0.000 0.829 228 A HN 0.676 nan 8.150 nan 0.000 0.442 229 G N -0.514 108.337 108.800 0.084 0.000 2.440 229 G HA2 -0.012 3.951 3.960 0.005 0.000 0.218 229 G HA3 -0.012 3.951 3.960 0.005 0.000 0.218 229 G C 1.701 176.639 174.900 0.065 0.000 1.154 229 G CA 1.506 46.665 45.100 0.099 0.000 0.767 229 G HN 0.823 nan 8.290 nan 0.000 0.552 230 A N 0.927 123.774 122.820 0.045 0.000 1.968 230 A HA 0.396 4.719 4.320 0.005 0.000 0.217 230 A C 2.774 180.378 177.584 0.033 0.000 1.169 230 A CA 1.902 53.951 52.037 0.020 0.000 0.638 230 A CB -0.597 18.410 19.000 0.011 0.000 0.812 230 A HN 0.709 nan 8.150 nan 0.000 0.446 231 A N 0.327 123.177 122.820 0.049 0.000 1.877 231 A HA -0.110 4.213 4.320 0.005 0.000 0.216 231 A C 2.095 179.742 177.584 0.105 0.000 1.186 231 A CA 1.553 53.631 52.037 0.069 0.000 0.620 231 A CB -0.624 18.421 19.000 0.075 0.000 0.822 231 A HN 0.490 nan 8.150 nan 0.000 0.443 232 I N -0.237 120.385 120.570 0.087 0.000 2.208 232 I HA -0.298 3.875 4.170 0.005 0.000 0.245 232 I C 2.905 179.068 176.117 0.078 0.000 1.097 232 I CA 1.182 62.530 61.300 0.079 0.000 1.363 232 I CB -0.335 37.700 38.000 0.060 0.000 1.051 232 I HN 0.365 nan 8.210 nan 0.000 0.413 233 A N -0.566 122.287 122.820 0.055 0.000 2.015 233 A HA -0.120 4.203 4.320 0.005 0.000 0.219 233 A C 2.369 179.972 177.584 0.031 0.000 1.163 233 A CA 1.787 53.842 52.037 0.030 0.000 0.646 233 A CB -0.351 18.645 19.000 -0.007 0.000 0.806 233 A HN 0.374 nan 8.150 nan 0.000 0.448 234 S N -1.336 114.389 115.700 0.042 0.000 2.517 234 S HA 0.081 4.554 4.470 0.005 0.000 0.214 234 S C 0.687 175.307 174.600 0.034 0.000 0.991 234 S CA -0.541 57.672 58.200 0.021 0.000 0.906 234 S CB -0.230 62.970 63.200 -0.001 0.000 0.789 234 S HN 0.692 nan 8.310 nan 0.000 0.513 235 H N 2.656 121.721 119.070 -0.007 0.000 2.928 235 H HA 0.056 4.615 4.556 0.005 0.000 0.338 235 H C 0.827 176.150 175.328 -0.008 0.000 1.047 235 H CA 0.723 56.768 56.048 -0.006 0.000 1.435 235 H CB 0.620 30.379 29.762 -0.005 0.000 1.428 235 H HN 0.160 nan 8.280 nan 0.000 0.590 236 E N 2.888 123.086 120.200 -0.002 0.000 2.482 236 E HA -0.098 4.255 4.350 0.005 0.000 0.196 236 E C 0.431 177.125 176.600 0.158 0.000 1.047 236 E CA 0.583 57.013 56.400 0.051 0.000 0.869 236 E CB 0.290 29.968 29.700 -0.036 0.000 0.836 236 E HN 0.570 nan 8.360 nan 0.000 0.520 237 D N -0.362 120.271 120.400 0.387 0.000 2.479 237 D HA 0.058 4.701 4.640 0.005 0.000 0.218 237 D C -0.697 175.635 176.300 0.053 0.000 1.177 237 D CA -0.023 54.091 54.000 0.190 0.000 0.830 237 D CB 0.693 41.604 40.800 0.184 0.000 1.014 237 D HN -0.219 nan 8.370 nan 0.000 0.503 238 V N 1.449 121.401 119.914 0.063 0.000 2.407 238 V HA 0.190 4.313 4.120 0.005 0.000 0.278 238 V C 0.791 176.880 176.094 -0.009 0.000 1.037 238 V CA -0.398 61.892 62.300 -0.017 0.000 0.900 238 V CB 1.829 33.646 31.823 -0.010 0.000 0.983 238 V HN 0.061 nan 8.190 nan 0.000 0.459 239 D N 2.888 123.262 120.400 -0.043 0.000 2.305 239 D HA 0.084 4.728 4.640 0.005 0.000 0.206 239 D C 0.680 176.956 176.300 -0.041 0.000 0.974 239 D CA 0.763 54.738 54.000 -0.042 0.000 0.871 239 D CB 0.792 41.548 40.800 -0.073 0.000 0.947 239 D HN 0.452 nan 8.370 nan 0.000 0.516 240 K N 0.533 120.909 120.400 -0.040 0.000 2.546 240 K HA 0.385 4.708 4.320 0.005 0.000 0.264 240 K C -2.079 174.512 176.600 -0.015 0.000 0.937 240 K CA -0.569 55.691 56.287 -0.046 0.000 0.833 240 K CB 3.123 35.571 32.500 -0.087 0.000 1.378 240 K HN -0.177 nan 8.250 nan 0.000 0.432 241 V N 2.015 121.924 119.914 -0.009 0.000 2.656 241 V HA 0.851 4.974 4.120 0.005 0.000 0.307 241 V C -1.535 174.588 176.094 0.048 0.000 1.051 241 V CA -0.350 61.970 62.300 0.034 0.000 0.893 241 V CB 1.667 33.516 31.823 0.043 0.000 0.999 241 V HN 0.895 nan 8.190 nan 0.000 0.426 242 A N 6.270 129.150 122.820 0.101 0.000 2.335 242 A HA 0.840 5.163 4.320 0.005 0.000 0.304 242 A C -1.406 176.300 177.584 0.203 0.000 1.118 242 A CA -0.423 51.689 52.037 0.126 0.000 0.757 242 A CB 1.057 20.134 19.000 0.128 0.000 1.188 242 A HN 1.121 nan 8.150 nan 0.000 0.460 243 F N 2.072 122.050 119.950 0.047 0.000 2.520 243 F HA 0.713 5.244 4.527 0.005 0.000 0.322 243 F C -0.295 175.541 175.800 0.060 0.000 1.103 243 F CA -0.019 58.010 58.000 0.049 0.000 0.926 243 F CB 2.335 41.355 39.000 0.033 0.000 1.154 243 F HN 0.413 nan 8.300 nan 0.000 0.453 244 T N 4.562 118.685 114.554 -0.718 0.000 2.840 244 T HA 0.772 5.125 4.350 0.005 0.000 0.287 244 T C -0.154 173.960 174.700 -0.976 0.000 0.991 244 T CA -0.352 61.419 62.100 -0.548 0.000 0.964 244 T CB 1.157 69.901 68.868 -0.206 0.000 0.954 244 T HN 1.066 nan 8.240 nan 0.000 0.438 245 G N 1.788 110.203 108.800 -0.643 0.000 2.393 245 G HA2 0.510 4.473 3.960 0.005 0.000 0.264 245 G HA3 0.510 4.473 3.960 0.005 0.000 0.264 245 G C -0.775 174.114 174.900 -0.018 0.000 1.221 245 G CA -0.388 44.477 45.100 -0.392 0.000 0.912 245 G HN 0.867 nan 8.290 nan 0.000 0.483 246 S N -0.431 115.331 115.700 0.104 0.000 2.565 246 S HA 0.440 4.913 4.470 0.005 0.000 0.274 246 S C 1.237 175.952 174.600 0.192 0.000 1.309 246 S CA 0.852 59.102 58.200 0.083 0.000 1.043 246 S CB 1.380 64.608 63.200 0.046 0.000 0.939 246 S HN 0.723 nan 8.310 nan 0.000 0.504 247 T N 1.482 116.141 114.554 0.174 0.000 2.849 247 T HA -0.151 4.202 4.350 0.005 0.000 0.270 247 T C 1.555 176.309 174.700 0.090 0.000 1.066 247 T CA 1.752 63.947 62.100 0.159 0.000 1.130 247 T CB -0.431 68.541 68.868 0.174 0.000 0.864 247 T HN 0.867 nan 8.240 nan 0.000 0.481 248 E N 0.694 120.945 120.200 0.085 0.000 2.017 248 E HA -0.145 4.209 4.350 0.005 0.000 0.193 248 E C 1.965 178.570 176.600 0.008 0.000 0.997 248 E CA 1.143 57.568 56.400 0.043 0.000 0.804 248 E CB -0.048 29.682 29.700 0.050 0.000 0.757 248 E HN 0.287 nan 8.360 nan 0.000 0.448 249 I N 1.154 121.742 120.570 0.030 0.000 2.493 249 I HA -0.092 4.081 4.170 0.005 0.000 0.254 249 I C 2.546 178.479 176.117 -0.306 0.000 1.160 249 I CA 1.259 62.517 61.300 -0.070 0.000 1.445 249 I CB -1.727 36.308 38.000 0.059 0.000 1.086 249 I HN 0.256 nan 8.210 nan 0.000 0.433 250 G N 1.293 109.984 108.800 -0.181 0.000 2.448 250 G HA2 -0.214 3.749 3.960 0.005 0.000 0.219 250 G HA3 -0.214 3.749 3.960 0.005 0.000 0.219 250 G C 1.735 176.527 174.900 -0.179 0.000 1.127 250 G CA 0.147 45.096 45.100 -0.252 0.000 0.766 250 G HN 0.280 nan 8.290 nan 0.000 0.552 251 R N 0.076 120.513 120.500 -0.105 0.000 2.189 251 R HA 0.052 4.396 4.340 0.005 0.000 0.218 251 R C 2.382 178.620 176.300 -0.104 0.000 1.074 251 R CA 0.551 56.603 56.100 -0.080 0.000 0.991 251 R CB -0.530 29.741 30.300 -0.049 0.000 0.883 251 R HN 0.395 nan 8.270 nan 0.000 0.457 252 V N 1.206 121.033 119.914 -0.146 0.000 2.535 252 V HA -0.130 3.993 4.120 0.005 0.000 0.246 252 V C 2.348 178.344 176.094 -0.162 0.000 1.045 252 V CA 1.002 63.220 62.300 -0.136 0.000 1.058 252 V CB -0.276 31.467 31.823 -0.134 0.000 0.689 252 V HN 0.088 nan 8.190 nan 0.000 0.461 253 I N 0.275 120.687 120.570 -0.263 0.000 2.226 253 I HA -0.262 3.911 4.170 0.005 0.000 0.245 253 I C 2.496 178.530 176.117 -0.138 0.000 1.100 253 I CA 1.750 62.900 61.300 -0.250 0.000 1.374 253 I CB -1.127 36.608 38.000 -0.441 0.000 1.057 253 I HN 0.430 nan 8.210 nan 0.000 0.413 254 Q N 0.527 120.256 119.800 -0.119 0.000 2.167 254 Q HA -0.114 4.229 4.340 0.005 0.000 0.202 254 Q C 2.297 178.262 176.000 -0.058 0.000 0.970 254 Q CA 1.202 56.963 55.803 -0.071 0.000 0.855 254 Q CB 0.237 28.941 28.738 -0.057 0.000 0.911 254 Q HN 0.315 nan 8.270 nan 0.000 0.438 255 V N 0.513 120.388 119.914 -0.065 0.000 2.307 255 V HA -0.214 3.910 4.120 0.005 0.000 0.245 255 V C 2.260 178.327 176.094 -0.045 0.000 1.045 255 V CA 1.727 63.996 62.300 -0.051 0.000 1.024 255 V CB -0.926 30.866 31.823 -0.051 0.000 0.651 255 V HN 0.504 nan 8.190 nan 0.000 0.449 256 A N -0.085 122.704 122.820 -0.051 0.000 2.015 256 A HA -0.026 4.298 4.320 0.005 0.000 0.219 256 A C 2.331 179.897 177.584 -0.029 0.000 1.163 256 A CA 1.785 53.799 52.037 -0.039 0.000 0.646 256 A CB -0.576 18.399 19.000 -0.042 0.000 0.806 256 A HN 0.560 nan 8.150 nan 0.000 0.448 257 A N -0.723 122.077 122.820 -0.033 0.000 2.014 257 A HA 0.237 4.560 4.320 0.005 0.000 0.218 257 A C 2.207 179.778 177.584 -0.022 0.000 1.163 257 A CA 1.524 53.548 52.037 -0.023 0.000 0.652 257 A CB -0.869 18.115 19.000 -0.026 0.000 0.808 257 A HN 0.646 nan 8.150 nan 0.000 0.449 258 G N -1.225 107.559 108.800 -0.027 0.000 2.551 258 G HA2 0.071 4.034 3.960 0.005 0.000 0.216 258 G HA3 0.071 4.034 3.960 0.005 0.000 0.216 258 G C 1.337 176.223 174.900 -0.022 0.000 1.137 258 G CA 1.003 46.088 45.100 -0.025 0.000 0.798 258 G HN 0.474 nan 8.290 nan 0.000 0.536 259 S N 0.244 115.930 115.700 -0.023 0.000 2.556 259 S HA 0.163 4.636 4.470 0.005 0.000 0.216 259 S C 1.786 176.374 174.600 -0.020 0.000 0.970 259 S CA 0.381 58.568 58.200 -0.022 0.000 0.912 259 S CB 0.281 63.467 63.200 -0.023 0.000 0.790 259 S HN 0.555 nan 8.310 nan 0.000 0.504 260 S N 3.104 118.794 115.700 -0.017 0.000 3.641 260 S HA 0.169 4.642 4.470 0.005 0.000 0.180 260 S C 0.662 175.256 174.600 -0.010 0.000 0.854 260 S CA -0.106 58.086 58.200 -0.013 0.000 1.343 260 S CB -0.418 62.779 63.200 -0.005 0.000 0.685 260 S HN 0.396 nan 8.310 nan 0.000 0.724 261 N N 0.919 119.618 118.700 -0.002 0.000 2.328 261 N HA 0.263 5.006 4.740 0.005 0.000 0.247 261 N C -0.426 175.082 175.510 -0.003 0.000 1.165 261 N CA -0.277 52.774 53.050 0.001 0.000 0.873 261 N CB -0.560 37.935 38.487 0.013 0.000 1.125 261 N HN 0.488 nan 8.380 nan 0.000 0.513 262 L N -0.425 120.792 121.223 -0.009 0.000 3.678 262 L HA -0.302 4.041 4.340 0.005 0.000 0.425 262 L C 0.141 177.002 176.870 -0.015 0.000 1.240 262 L CA 0.944 55.776 54.840 -0.014 0.000 0.876 262 L CB -2.112 39.939 42.059 -0.015 0.000 1.766 262 L HN 0.474 nan 8.230 nan 0.000 0.917 263 K N -0.456 119.936 120.400 -0.013 0.000 2.319 263 K HA 0.471 4.794 4.320 0.005 0.000 0.265 263 K C 0.362 176.944 176.600 -0.029 0.000 1.000 263 K CA -0.741 55.536 56.287 -0.017 0.000 0.943 263 K CB 0.598 33.093 32.500 -0.008 0.000 0.950 263 K HN 0.150 nan 8.250 nan 0.000 0.485 264 R N 0.872 121.347 120.500 -0.042 0.000 2.590 264 R HA 0.179 4.523 4.340 0.005 0.000 0.274 264 R C -0.718 175.549 176.300 -0.056 0.000 1.061 264 R CA -0.342 55.724 56.100 -0.057 0.000 1.081 264 R CB 0.825 31.075 30.300 -0.083 0.000 0.984 264 R HN 0.389 nan 8.270 nan 0.000 0.448 265 V N 2.303 122.186 119.914 -0.051 0.000 2.569 265 V HA 0.279 4.403 4.120 0.005 0.000 0.301 265 V C -0.259 175.818 176.094 -0.028 0.000 1.044 265 V CA -0.828 61.454 62.300 -0.030 0.000 0.874 265 V CB 1.904 33.716 31.823 -0.019 0.000 1.002 265 V HN 0.969 nan 8.190 nan 0.000 0.424 266 T N 3.526 118.071 114.554 -0.016 0.000 2.856 266 T HA 0.890 5.243 4.350 0.005 0.000 0.283 266 T C -0.828 173.918 174.700 0.077 0.000 1.008 266 T CA -0.701 61.402 62.100 0.005 0.000 0.997 266 T CB 1.768 70.617 68.868 -0.032 0.000 0.992 266 T HN 0.356 nan 8.240 nan 0.000 0.454 267 L N 1.596 122.874 121.223 0.091 0.000 2.401 267 L HA 0.620 4.963 4.340 0.005 0.000 0.266 267 L C -0.197 176.754 176.870 0.134 0.000 0.991 267 L CA -0.829 54.109 54.840 0.162 0.000 0.818 267 L CB 2.390 44.547 42.059 0.163 0.000 1.321 267 L HN 0.686 nan 8.230 nan 0.000 0.413 268 E N 3.984 124.274 120.200 0.149 0.000 2.267 268 E HA 0.482 4.835 4.350 0.005 0.000 0.248 268 E C -1.271 175.401 176.600 0.120 0.000 0.899 268 E CA -0.218 56.258 56.400 0.127 0.000 0.764 268 E CB 1.318 31.114 29.700 0.160 0.000 1.227 268 E HN 0.524 nan 8.360 nan 0.000 0.421 269 L N 1.041 122.349 121.223 0.142 0.000 2.793 269 L HA 0.643 4.986 4.340 0.005 0.000 0.242 269 L C 1.292 178.245 176.870 0.139 0.000 1.315 269 L CA -1.049 53.886 54.840 0.159 0.000 1.263 269 L CB 0.082 42.263 42.059 0.204 0.000 2.076 269 L HN 0.406 nan 8.230 nan 0.000 0.575 270 G N -1.475 107.429 108.800 0.173 0.000 2.611 270 G HA2 0.507 4.471 3.960 0.005 0.000 0.273 270 G HA3 0.507 4.471 3.960 0.005 0.000 0.273 270 G C -0.505 174.234 174.900 -0.268 0.000 1.305 270 G CA 0.245 45.340 45.100 -0.009 0.000 1.010 270 G HN 0.779 nan 8.290 nan 0.000 0.509 271 G N -1.798 106.558 108.800 -0.739 0.000 2.682 271 G HA2 0.512 4.475 3.960 0.005 0.000 0.290 271 G HA3 0.512 4.475 3.960 0.005 0.000 0.290 271 G C -1.261 173.149 174.900 -0.817 0.000 1.425 271 G CA -0.623 44.026 45.100 -0.752 0.000 0.807 271 G HN 0.566 nan 8.290 nan 0.000 0.482 272 K N 0.519 120.736 120.400 -0.306 0.000 3.262 272 K HA 0.410 4.733 4.320 0.005 0.000 0.166 272 K C -0.121 176.520 176.600 0.067 0.000 1.091 272 K CA -0.340 55.910 56.287 -0.062 0.000 0.798 272 K CB 0.223 32.782 32.500 0.098 0.000 0.953 272 K HN 0.411 nan 8.250 nan 0.000 0.588 273 S N 2.885 118.634 115.700 0.083 0.000 2.549 273 S HA 0.230 4.704 4.470 0.005 0.000 0.283 273 S C -2.440 172.287 174.600 0.213 0.000 1.320 273 S CA -0.702 57.597 58.200 0.165 0.000 1.058 273 S CB 0.464 63.815 63.200 0.252 0.000 0.882 273 S HN 0.308 nan 8.310 nan 0.000 0.498 274 P HA 0.306 nan 4.420 nan 0.000 0.293 274 P C -0.849 176.656 177.300 0.341 0.000 1.300 274 P CA -0.665 62.636 63.100 0.334 0.000 0.792 274 P CB 0.406 32.268 31.700 0.270 0.000 0.925 275 N N 3.791 122.690 118.700 0.333 0.000 2.501 275 N HA 0.303 5.047 4.740 0.005 0.000 0.245 275 N C -1.067 174.624 175.510 0.301 0.000 0.974 275 N CA -0.503 52.748 53.050 0.336 0.000 0.941 275 N CB -0.062 38.529 38.487 0.173 0.000 1.122 275 N HN 0.247 nan 8.380 nan 0.000 0.507 276 I N 4.343 125.101 120.570 0.313 0.000 2.312 276 I HA 0.309 4.483 4.170 0.005 0.000 0.290 276 I C -0.178 176.127 176.117 0.312 0.000 1.008 276 I CA -0.681 60.773 61.300 0.256 0.000 1.226 276 I CB 0.982 39.028 38.000 0.076 0.000 1.371 276 I HN 0.288 nan 8.210 nan 0.000 0.468 277 I N 7.006 127.745 120.570 0.282 0.000 2.328 277 I HA 0.326 4.499 4.170 0.005 0.000 0.287 277 I C 0.183 176.481 176.117 0.301 0.000 1.012 277 I CA -0.588 60.841 61.300 0.216 0.000 1.195 277 I CB 0.908 38.836 38.000 -0.120 0.000 1.350 277 I HN 0.463 nan 8.210 nan 0.000 0.464 278 M N 3.845 123.631 119.600 0.311 0.000 2.228 278 M HA 0.143 4.627 4.480 0.005 0.000 0.326 278 M C 1.671 178.067 176.300 0.159 0.000 1.122 278 M CA -0.017 55.444 55.300 0.269 0.000 1.161 278 M CB 0.695 33.437 32.600 0.237 0.000 1.437 278 M HN 0.677 nan 8.290 nan 0.000 0.465 279 S N 0.336 116.093 115.700 0.094 0.000 2.442 279 S HA -0.145 4.328 4.470 0.005 0.000 0.236 279 S C 0.849 175.504 174.600 0.091 0.000 1.007 279 S CA 1.314 59.550 58.200 0.060 0.000 0.965 279 S CB -0.471 62.740 63.200 0.019 0.000 0.773 279 S HN 0.753 nan 8.310 nan 0.000 0.504 280 D N 1.698 122.163 120.400 0.108 0.000 2.328 280 D HA 0.333 4.976 4.640 0.005 0.000 0.221 280 D C 0.682 177.068 176.300 0.144 0.000 1.072 280 D CA 0.200 54.265 54.000 0.108 0.000 0.850 280 D CB -0.326 40.527 40.800 0.089 0.000 0.922 280 D HN 0.507 nan 8.370 nan 0.000 0.516 281 A N 0.703 123.637 122.820 0.190 0.000 2.448 281 A HA 0.090 4.414 4.320 0.005 0.000 0.239 281 A C 0.310 178.041 177.584 0.246 0.000 1.080 281 A CA -0.232 51.962 52.037 0.262 0.000 0.779 281 A CB 0.166 19.374 19.000 0.347 0.000 1.026 281 A HN 0.121 nan 8.150 nan 0.000 0.499 282 D N 1.468 122.048 120.400 0.300 0.000 2.346 282 D HA 0.108 4.751 4.640 0.005 0.000 0.260 282 D C 1.019 177.495 176.300 0.292 0.000 1.252 282 D CA -0.136 54.029 54.000 0.274 0.000 0.895 282 D CB 0.507 41.491 40.800 0.307 0.000 1.097 282 D HN 0.458 nan 8.370 nan 0.000 0.489 283 M N 4.108 123.833 119.600 0.208 0.000 2.065 283 M HA -0.185 4.298 4.480 0.005 0.000 0.259 283 M C 1.111 177.492 176.300 0.135 0.000 1.069 283 M CA 1.693 57.100 55.300 0.178 0.000 1.110 283 M CB -0.205 32.469 32.600 0.123 0.000 1.328 283 M HN 0.297 nan 8.290 nan 0.000 0.405 284 D N -0.886 119.593 120.400 0.132 0.000 2.104 284 D HA -0.245 4.398 4.640 0.005 0.000 0.194 284 D C 1.894 178.294 176.300 0.167 0.000 0.994 284 D CA 1.534 55.596 54.000 0.103 0.000 0.830 284 D CB -0.762 40.103 40.800 0.109 0.000 0.959 284 D HN 0.667 nan 8.370 nan 0.000 0.452 285 W N 1.805 123.145 121.300 0.067 0.000 2.355 285 W HA -0.173 4.490 4.660 0.004 0.000 0.309 285 W C 2.205 178.789 176.519 0.108 0.000 1.206 285 W CA 1.562 58.973 57.345 0.111 0.000 1.284 285 W CB -0.049 29.516 29.460 0.175 0.000 1.145 285 W HN -0.044 nan 8.180 nan 0.000 0.502 286 A N 0.346 123.237 122.820 0.118 0.000 1.940 286 A HA -0.191 4.133 4.320 0.005 0.000 0.219 286 A C 2.022 179.496 177.584 -0.183 0.000 1.176 286 A CA 2.206 54.134 52.037 -0.182 0.000 0.631 286 A CB -1.110 17.968 19.000 0.130 0.000 0.814 286 A HN 0.174 nan 8.150 nan 0.000 0.446 287 V N -0.314 119.505 119.914 -0.159 0.000 2.379 287 V HA -0.191 3.932 4.120 0.005 0.000 0.245 287 V C 2.561 178.510 176.094 -0.240 0.000 1.044 287 V CA 2.317 64.385 62.300 -0.388 0.000 1.036 287 V CB -0.563 30.976 31.823 -0.474 0.000 0.664 287 V HN 0.712 nan 8.190 nan 0.000 0.453 288 E N -0.251 119.830 120.200 -0.200 0.000 2.107 288 E HA -0.175 4.179 4.350 0.005 0.000 0.191 288 E C 2.261 178.772 176.600 -0.150 0.000 0.982 288 E CA 0.997 57.311 56.400 -0.143 0.000 0.809 288 E CB -0.134 29.486 29.700 -0.133 0.000 0.756 288 E HN 0.460 nan 8.360 nan 0.000 0.459 289 Q N -0.374 119.200 119.800 -0.377 0.000 2.172 289 Q HA 0.016 4.359 4.340 0.005 0.000 0.200 289 Q C 2.062 177.954 176.000 -0.179 0.000 0.964 289 Q CA 1.284 56.885 55.803 -0.336 0.000 0.855 289 Q CB -0.247 28.166 28.738 -0.542 0.000 0.918 289 Q HN 0.385 nan 8.270 nan 0.000 0.444 290 A N -0.063 122.626 122.820 -0.218 0.000 1.930 290 A HA -0.204 4.119 4.320 0.005 0.000 0.217 290 A C 1.897 179.453 177.584 -0.047 0.000 1.175 290 A CA 1.740 53.699 52.037 -0.129 0.000 0.627 290 A CB -0.659 18.400 19.000 0.099 0.000 0.815 290 A HN 0.440 nan 8.150 nan 0.000 0.443 291 H N -1.480 117.581 119.070 -0.016 0.000 2.326 291 H HA -0.126 4.433 4.556 0.006 0.000 0.301 291 H C 1.699 177.158 175.328 0.218 0.000 1.081 291 H CA 2.105 58.258 56.048 0.174 0.000 1.334 291 H CB -0.421 29.421 29.762 0.133 0.000 1.385 291 H HN 0.467 nan 8.280 nan 0.000 0.504 292 F N 0.664 120.621 119.950 0.012 0.000 2.126 292 F HA -0.191 4.340 4.527 0.005 0.000 0.299 292 F C 2.494 178.224 175.800 -0.117 0.000 1.096 292 F CA 1.491 59.479 58.000 -0.020 0.000 1.255 292 F CB -0.519 38.450 39.000 -0.052 0.000 0.997 292 F HN 0.296 nan 8.300 nan 0.000 0.479 293 A N 0.388 122.999 122.820 -0.348 0.000 1.972 293 A HA -0.138 4.186 4.320 0.005 0.000 0.219 293 A C 2.156 179.381 177.584 -0.598 0.000 1.169 293 A CA 1.642 53.217 52.037 -0.770 0.000 0.635 293 A CB -0.828 17.377 19.000 -1.325 0.000 0.810 293 A HN 0.535 nan 8.150 nan 0.000 0.446 294 L N -2.090 118.829 121.223 -0.506 0.000 2.200 294 L HA 0.208 4.551 4.340 0.005 0.000 0.200 294 L C 1.948 178.486 176.870 -0.554 0.000 1.072 294 L CA 1.593 56.092 54.840 -0.568 0.000 0.787 294 L CB -0.829 40.770 42.059 -0.766 0.000 0.957 294 L HN 0.425 nan 8.230 nan 0.000 0.459 295 F N -0.736 119.019 119.950 -0.325 0.000 2.615 295 F HA -0.030 4.500 4.527 0.005 0.000 0.297 295 F C 1.095 176.760 175.800 -0.226 0.000 1.124 295 F CA -0.291 57.525 58.000 -0.307 0.000 1.451 295 F CB -0.235 38.467 39.000 -0.496 0.000 1.103 295 F HN -0.076 nan 8.300 nan 0.000 0.569 296 F N 2.142 121.942 119.950 -0.249 0.000 2.629 296 F HA -0.050 4.481 4.527 0.005 0.000 0.377 296 F C 1.217 176.904 175.800 -0.188 0.000 1.101 296 F CA -0.016 57.831 58.000 -0.254 0.000 1.301 296 F CB 0.109 38.774 39.000 -0.558 0.000 1.062 296 F HN 0.092 nan 8.300 nan 0.000 0.583 297 N N 3.236 121.341 118.700 -0.991 0.000 2.740 297 N HA -0.296 4.448 4.740 0.005 0.000 0.248 297 N C -0.057 175.209 175.510 -0.407 0.000 1.062 297 N CA 1.369 53.963 53.050 -0.760 0.000 0.704 297 N CB -1.071 36.981 38.487 -0.725 0.000 0.968 297 N HN 0.752 nan 8.380 nan 0.000 0.547 298 Q N -2.253 117.386 119.800 -0.268 0.000 2.481 298 Q HA -0.173 4.170 4.340 0.005 0.000 0.272 298 Q C 1.180 177.098 176.000 -0.137 0.000 1.157 298 Q CA 2.151 57.873 55.803 -0.134 0.000 0.935 298 Q CB -1.830 26.834 28.738 -0.124 0.000 1.338 298 Q HN 1.119 nan 8.270 nan 0.000 0.494 299 G N -1.067 107.624 108.800 -0.182 0.000 2.189 299 G HA2 -0.401 3.563 3.960 0.005 0.000 0.267 299 G HA3 -0.401 3.563 3.960 0.005 0.000 0.267 299 G C 0.157 174.786 174.900 -0.450 0.000 0.975 299 G CA 0.472 45.425 45.100 -0.246 0.000 0.644 299 G HN 0.466 nan 8.290 nan 0.000 0.537 300 Q N 0.116 119.593 119.800 -0.539 0.000 3.247 300 Q HA 0.459 4.802 4.340 0.005 0.000 0.326 300 Q C -0.178 175.286 176.000 -0.895 0.000 1.402 300 Q CA -0.061 55.117 55.803 -1.042 0.000 0.994 300 Q CB 0.160 28.626 28.738 -0.453 0.000 1.647 300 Q HN 0.462 nan 8.270 nan 0.000 0.523 301 C N -0.156 118.727 119.300 -0.695 0.000 2.547 301 C HA 0.212 4.676 4.460 0.005 0.000 0.313 301 C C 1.703 176.749 174.990 0.093 0.000 1.191 301 C CA -0.701 58.266 59.018 -0.084 0.000 1.474 301 C CB 1.732 29.557 27.740 0.141 0.000 2.081 301 C HN 0.739 nan 8.230 nan 0.000 0.476 302 S N 0.125 116.042 115.700 0.362 0.000 2.423 302 S HA -0.143 4.331 4.470 0.005 0.000 0.231 302 S C 1.240 175.999 174.600 0.265 0.000 1.014 302 S CA 1.505 59.926 58.200 0.369 0.000 0.965 302 S CB -0.547 62.831 63.200 0.298 0.000 0.785 302 S HN 1.019 nan 8.310 nan 0.000 0.495 303 C N 1.394 120.911 119.300 0.362 0.000 2.693 303 C HA 0.800 5.263 4.460 0.005 0.000 0.286 303 C C 1.218 176.473 174.990 0.442 0.000 1.277 303 C CA -1.311 57.970 59.018 0.438 0.000 1.705 303 C CB -2.092 26.072 27.740 0.707 0.000 1.879 303 C HN 0.613 nan 8.230 nan 0.000 0.607 304 A N 1.250 124.217 122.820 0.246 0.000 2.565 304 A HA 0.433 4.757 4.320 0.005 0.000 0.237 304 A C 1.141 178.782 177.584 0.094 0.000 1.053 304 A CA 0.832 52.930 52.037 0.102 0.000 0.755 304 A CB -0.162 18.797 19.000 -0.068 0.000 0.980 304 A HN 1.143 nan 8.150 nan 0.000 0.506 305 G N 1.624 110.352 108.800 -0.121 0.000 2.852 305 G HA2 0.332 4.295 3.960 0.005 0.000 0.280 305 G HA3 0.332 4.295 3.960 0.005 0.000 0.280 305 G C 0.889 175.704 174.900 -0.142 0.000 0.731 305 G CA 0.373 45.390 45.100 -0.138 0.000 2.037 305 G HN 1.164 nan 8.290 nan 0.000 0.560 306 S N 1.095 116.756 115.700 -0.065 0.000 2.575 306 S HA 0.180 4.654 4.470 0.005 0.000 0.215 306 S C 0.981 175.524 174.600 -0.095 0.000 0.966 306 S CA -0.299 57.837 58.200 -0.108 0.000 0.911 306 S CB 0.512 63.654 63.200 -0.097 0.000 0.780 306 S HN 0.415 nan 8.310 nan 0.000 0.514 307 R N 1.923 122.387 120.500 -0.061 0.000 2.352 307 R HA 0.325 4.669 4.340 0.005 0.000 0.304 307 R C -1.175 175.020 176.300 -0.175 0.000 1.104 307 R CA -0.100 55.899 56.100 -0.168 0.000 0.991 307 R CB 1.219 31.453 30.300 -0.110 0.000 1.140 307 R HN 0.109 nan 8.270 nan 0.000 0.540 308 T N 4.240 118.674 114.554 -0.199 0.000 2.992 308 T HA 0.228 4.581 4.350 0.005 0.000 0.299 308 T C -0.132 174.487 174.700 -0.135 0.000 1.027 308 T CA -0.087 61.950 62.100 -0.104 0.000 1.001 308 T CB -0.267 68.564 68.868 -0.061 0.000 1.005 308 T HN 0.187 nan 8.240 nan 0.000 0.599 309 F N 2.497 122.483 119.950 0.059 0.000 2.445 309 F HA 0.403 4.933 4.527 0.005 0.000 0.359 309 F C 0.440 176.408 175.800 0.280 0.000 1.101 309 F CA -0.614 57.496 58.000 0.183 0.000 1.177 309 F CB 0.705 39.737 39.000 0.053 0.000 1.110 309 F HN 0.163 nan 8.300 nan 0.000 0.522 310 V N 3.904 124.079 119.914 0.436 0.000 2.588 310 V HA 0.239 4.362 4.120 0.005 0.000 0.304 310 V C -0.128 175.862 176.094 -0.173 0.000 1.042 310 V CA -1.133 61.235 62.300 0.113 0.000 0.877 310 V CB 1.577 33.258 31.823 -0.237 0.000 0.996 310 V HN 0.560 nan 8.190 nan 0.000 0.425 311 Q N 3.112 122.570 119.800 -0.569 0.000 2.330 311 Q HA 0.008 4.351 4.340 0.005 0.000 0.279 311 Q C 1.422 177.209 176.000 -0.356 0.000 1.024 311 Q CA 0.345 55.578 55.803 -0.950 0.000 0.900 311 Q CB 1.095 29.482 28.738 -0.586 0.000 1.221 311 Q HN 1.017 nan 8.270 nan 0.000 0.396 312 E N 2.553 122.552 120.200 -0.335 0.000 2.209 312 E HA -0.239 4.114 4.350 0.005 0.000 0.196 312 E C 0.120 176.699 176.600 -0.035 0.000 0.993 312 E CA 1.456 57.768 56.400 -0.146 0.000 0.819 312 E CB 0.163 29.767 29.700 -0.159 0.000 0.745 312 E HN 0.512 nan 8.360 nan 0.000 0.477 313 D N 1.227 121.597 120.400 -0.051 0.000 2.224 313 D HA -0.043 4.600 4.640 0.005 0.000 0.205 313 D C 1.983 178.308 176.300 0.042 0.000 0.965 313 D CA 1.153 55.152 54.000 -0.002 0.000 0.852 313 D CB 0.061 40.854 40.800 -0.012 0.000 0.947 313 D HN 0.595 nan 8.370 nan 0.000 0.494 314 I N -3.085 117.517 120.570 0.053 0.000 4.025 314 I HA 0.187 4.360 4.170 0.005 0.000 0.336 314 I C 1.769 177.974 176.117 0.146 0.000 1.390 314 I CA -0.511 60.847 61.300 0.095 0.000 1.099 314 I CB -0.045 38.014 38.000 0.099 0.000 1.049 314 I HN -0.237 nan 8.210 nan 0.000 0.394 315 Y N 2.677 122.984 120.300 0.012 0.000 2.097 315 Y HA -0.275 4.278 4.550 0.004 0.000 0.282 315 Y C 2.032 177.993 175.900 0.101 0.000 1.152 315 Y CA 2.185 60.307 58.100 0.036 0.000 1.136 315 Y CB -0.125 38.324 38.460 -0.018 0.000 0.975 315 Y HN 0.200 nan 8.280 nan 0.000 0.498 316 D N 0.112 120.651 120.400 0.233 0.000 2.104 316 D HA -0.213 4.430 4.640 0.005 0.000 0.194 316 D C 2.096 178.411 176.300 0.024 0.000 0.994 316 D CA 1.742 55.817 54.000 0.124 0.000 0.830 316 D CB -0.428 40.462 40.800 0.150 0.000 0.959 316 D HN 0.619 nan 8.370 nan 0.000 0.452 317 E N -0.503 119.729 120.200 0.054 0.000 2.051 317 E HA -0.190 4.163 4.350 0.005 0.000 0.192 317 E C 2.064 178.667 176.600 0.005 0.000 0.991 317 E CA 0.623 57.040 56.400 0.029 0.000 0.799 317 E CB -0.263 29.468 29.700 0.052 0.000 0.748 317 E HN 0.212 nan 8.360 nan 0.000 0.449 318 F N 0.545 120.432 119.950 -0.106 0.000 2.126 318 F HA -0.237 4.292 4.527 0.004 0.000 0.299 318 F C 2.030 177.724 175.800 -0.177 0.000 1.096 318 F CA 1.366 59.288 58.000 -0.131 0.000 1.255 318 F CB -0.098 38.821 39.000 -0.136 0.000 0.997 318 F HN -0.077 nan 8.300 nan 0.000 0.479 319 V N 0.214 120.091 119.914 -0.060 0.000 2.295 319 V HA -0.283 3.840 4.120 0.005 0.000 0.246 319 V C 2.247 178.270 176.094 -0.118 0.000 1.049 319 V CA 2.172 64.394 62.300 -0.130 0.000 1.024 319 V CB -0.729 30.941 31.823 -0.256 0.000 0.648 319 V HN 0.328 nan 8.190 nan 0.000 0.447 320 E N 0.191 120.331 120.200 -0.100 0.000 2.035 320 E HA -0.267 4.086 4.350 0.005 0.000 0.204 320 E C 2.503 179.026 176.600 -0.128 0.000 1.025 320 E CA 1.740 58.087 56.400 -0.088 0.000 0.835 320 E CB -0.234 29.428 29.700 -0.063 0.000 0.764 320 E HN 0.512 nan 8.360 nan 0.000 0.457 321 R N 0.374 120.767 120.500 -0.178 0.000 2.091 321 R HA -0.084 4.259 4.340 0.005 0.000 0.238 321 R C 2.492 178.638 176.300 -0.257 0.000 1.136 321 R CA 1.186 57.154 56.100 -0.221 0.000 0.959 321 R CB -0.728 29.405 30.300 -0.278 0.000 0.856 321 R HN 0.075 nan 8.270 nan 0.000 0.437 322 S N 0.965 116.474 115.700 -0.319 0.000 2.368 322 S HA -0.078 4.396 4.470 0.005 0.000 0.225 322 S C 2.259 176.799 174.600 -0.100 0.000 1.030 322 S CA 1.268 59.330 58.200 -0.231 0.000 0.999 322 S CB -0.243 62.836 63.200 -0.202 0.000 0.844 322 S HN 0.067 nan 8.310 nan 0.000 0.459 323 V N 2.003 121.862 119.914 -0.092 0.000 2.358 323 V HA -0.182 3.941 4.120 0.005 0.000 0.246 323 V C 2.636 178.674 176.094 -0.093 0.000 1.047 323 V CA 1.598 63.859 62.300 -0.065 0.000 1.035 323 V CB -1.217 30.571 31.823 -0.059 0.000 0.658 323 V HN 0.530 nan 8.190 nan 0.000 0.452 324 A N 0.441 123.193 122.820 -0.113 0.000 1.883 324 A HA -0.291 4.032 4.320 0.005 0.000 0.217 324 A C 2.310 179.800 177.584 -0.157 0.000 1.186 324 A CA 2.363 54.328 52.037 -0.120 0.000 0.624 324 A CB -0.567 18.362 19.000 -0.117 0.000 0.822 324 A HN 0.458 nan 8.150 nan 0.000 0.444 325 R N 0.079 120.455 120.500 -0.207 0.000 2.096 325 R HA -0.002 4.342 4.340 0.005 0.000 0.235 325 R C 2.119 178.202 176.300 -0.361 0.000 1.127 325 R CA 1.875 57.780 56.100 -0.326 0.000 0.968 325 R CB -0.873 29.169 30.300 -0.430 0.000 0.861 325 R HN 0.409 nan 8.270 nan 0.000 0.440 326 A N 0.624 123.314 122.820 -0.216 0.000 1.898 326 A HA -0.132 4.191 4.320 0.005 0.000 0.216 326 A C 1.942 179.414 177.584 -0.187 0.000 1.181 326 A CA 1.615 53.537 52.037 -0.192 0.000 0.620 326 A CB -0.374 18.591 19.000 -0.058 0.000 0.819 326 A HN 0.370 nan 8.150 nan 0.000 0.442 327 K N 0.292 120.608 120.400 -0.140 0.000 2.211 327 K HA -0.084 4.239 4.320 0.005 0.000 0.203 327 K C 2.040 178.571 176.600 -0.116 0.000 1.050 327 K CA 1.422 57.642 56.287 -0.113 0.000 0.945 327 K CB -0.124 32.322 32.500 -0.090 0.000 0.732 327 K HN 0.638 nan 8.250 nan 0.000 0.451 328 S N 0.655 116.271 115.700 -0.140 0.000 2.593 328 S HA -0.005 4.469 4.470 0.005 0.000 0.217 328 S C 0.765 175.291 174.600 -0.123 0.000 0.966 328 S CA -0.360 57.765 58.200 -0.124 0.000 0.914 328 S CB -0.041 63.082 63.200 -0.129 0.000 0.776 328 S HN 0.129 nan 8.310 nan 0.000 0.523 329 R N 1.828 122.240 120.500 -0.147 0.000 2.421 329 R HA 0.265 4.608 4.340 0.005 0.000 0.305 329 R C -0.975 175.278 176.300 -0.078 0.000 1.039 329 R CA -0.180 55.853 56.100 -0.111 0.000 1.003 329 R CB 0.311 30.527 30.300 -0.141 0.000 0.959 329 R HN 0.181 nan 8.270 nan 0.000 0.427 330 V N 6.200 126.085 119.914 -0.048 0.000 2.470 330 V HA 0.133 4.256 4.120 0.005 0.000 0.276 330 V C 0.070 176.149 176.094 -0.024 0.000 1.040 330 V CA -0.293 61.983 62.300 -0.039 0.000 1.008 330 V CB 1.285 33.091 31.823 -0.029 0.000 0.990 330 V HN 0.484 nan 8.190 nan 0.000 0.477 331 V N 4.657 124.550 119.914 -0.035 0.000 2.459 331 V HA 1.013 5.136 4.120 0.005 0.000 0.295 331 V C 0.589 176.617 176.094 -0.109 0.000 1.029 331 V CA 0.496 62.792 62.300 -0.007 0.000 0.874 331 V CB 1.086 32.919 31.823 0.017 0.000 0.985 331 V HN 1.166 nan 8.190 nan 0.000 0.438 332 G N 3.305 112.047 108.800 -0.098 0.000 2.360 332 G HA2 0.109 4.072 3.960 0.005 0.000 0.276 332 G HA3 0.109 4.072 3.960 0.005 0.000 0.276 332 G C -0.940 173.926 174.900 -0.056 0.000 1.256 332 G CA -0.831 44.098 45.100 -0.285 0.000 0.890 332 G HN 0.605 nan 8.290 nan 0.000 0.486 333 N N 2.184 120.850 118.700 -0.057 0.000 2.386 333 N HA 0.104 4.847 4.740 0.005 0.000 0.273 333 N C -0.599 174.973 175.510 0.103 0.000 1.331 333 N CA -0.900 52.200 53.050 0.083 0.000 0.891 333 N CB 1.234 39.757 38.487 0.060 0.000 1.139 333 N HN 0.154 nan 8.380 nan 0.000 0.487 334 P HA -0.150 nan 4.420 nan 0.000 0.221 334 P C 0.886 178.132 177.300 -0.091 0.000 1.145 334 P CA 1.216 64.292 63.100 -0.041 0.000 0.795 334 P CB -0.052 31.547 31.700 -0.169 0.000 0.775 335 F N -0.306 119.673 119.950 0.048 0.000 2.780 335 F HA 0.067 4.597 4.527 0.006 0.000 0.299 335 F C 1.213 177.020 175.800 0.012 0.000 1.146 335 F CA -0.006 58.002 58.000 0.014 0.000 1.428 335 F CB -0.167 38.793 39.000 -0.067 0.000 1.115 335 F HN -0.140 nan 8.300 nan 0.000 0.583 336 D N -0.162 120.335 120.400 0.160 0.000 2.264 336 D HA 0.018 4.662 4.640 0.005 0.000 0.250 336 D C 1.244 177.596 176.300 0.086 0.000 1.113 336 D CA 0.126 54.184 54.000 0.096 0.000 0.871 336 D CB 1.445 42.276 40.800 0.052 0.000 1.167 336 D HN 0.078 nan 8.370 nan 0.000 0.447 337 S N 3.389 119.138 115.700 0.081 0.000 2.442 337 S HA -0.144 4.329 4.470 0.005 0.000 0.236 337 S C 1.318 175.948 174.600 0.051 0.000 1.007 337 S CA 0.804 59.051 58.200 0.078 0.000 0.965 337 S CB -0.072 63.169 63.200 0.068 0.000 0.773 337 S HN 0.507 nan 8.310 nan 0.000 0.504 338 K N 0.862 121.283 120.400 0.034 0.000 2.400 338 K HA 0.127 4.450 4.320 0.005 0.000 0.194 338 K C 0.044 176.654 176.600 0.016 0.000 1.033 338 K CA 0.304 56.602 56.287 0.019 0.000 1.021 338 K CB -0.029 32.474 32.500 0.005 0.000 0.808 338 K HN 0.256 nan 8.250 nan 0.000 0.505 339 T N 2.021 116.590 114.554 0.024 0.000 2.853 339 T HA 0.035 4.389 4.350 0.005 0.000 0.298 339 T C 0.782 175.498 174.700 0.027 0.000 0.978 339 T CA 0.292 62.405 62.100 0.022 0.000 1.152 339 T CB 0.968 69.856 68.868 0.033 0.000 0.914 339 T HN 0.190 nan 8.240 nan 0.000 0.539 340 E N 1.874 122.088 120.200 0.024 0.000 2.340 340 E HA 0.050 4.403 4.350 0.005 0.000 0.198 340 E C 0.769 177.378 176.600 0.014 0.000 0.961 340 E CA 0.140 56.560 56.400 0.033 0.000 0.905 340 E CB 0.611 30.339 29.700 0.047 0.000 0.884 340 E HN 0.562 nan 8.360 nan 0.000 0.491 341 Q N 0.481 120.294 119.800 0.022 0.000 2.275 341 Q HA 0.403 4.746 4.340 0.005 0.000 0.266 341 Q C -0.429 175.633 176.000 0.104 0.000 1.002 341 Q CA -0.597 55.220 55.803 0.024 0.000 0.761 341 Q CB 1.676 30.430 28.738 0.027 0.000 1.255 341 Q HN 0.119 nan 8.270 nan 0.000 0.446 342 G N 3.349 112.175 108.800 0.043 0.000 2.504 342 G HA2 0.541 4.504 3.960 0.005 0.000 0.257 342 G HA3 0.541 4.504 3.960 0.005 0.000 0.257 342 G C -2.558 172.270 174.900 -0.120 0.000 1.451 342 G CA -0.932 44.217 45.100 0.083 0.000 1.059 342 G HN 0.540 nan 8.290 nan 0.000 0.550 343 P HA 0.258 nan 4.420 nan 0.000 0.280 343 P C -0.639 176.459 177.300 -0.337 0.000 1.272 343 P CA -0.640 61.901 63.100 -0.932 0.000 0.819 343 P CB 0.752 31.718 31.700 -1.225 0.000 1.122 344 Q N -0.105 119.599 119.800 -0.160 0.000 2.382 344 Q HA 0.079 4.422 4.340 0.005 0.000 0.229 344 Q C 1.241 177.155 176.000 -0.143 0.000 1.006 344 Q CA -0.374 55.388 55.803 -0.069 0.000 0.916 344 Q CB 0.241 29.016 28.738 0.060 0.000 1.235 344 Q HN 0.168 nan 8.270 nan 0.000 0.512 345 V N 0.340 120.094 119.914 -0.268 0.000 2.427 345 V HA -0.179 3.944 4.120 0.005 0.000 0.248 345 V C 0.222 176.077 176.094 -0.398 0.000 1.051 345 V CA 2.561 64.619 62.300 -0.403 0.000 1.048 345 V CB -0.076 31.222 31.823 -0.875 0.000 0.666 345 V HN 0.987 nan 8.190 nan 0.000 0.456 346 D N -3.335 116.732 120.400 -0.556 0.000 2.713 346 D HA 0.092 4.735 4.640 0.005 0.000 0.306 346 D C 0.677 176.269 176.300 -1.180 0.000 1.299 346 D CA 0.032 53.568 54.000 -0.773 0.000 0.823 346 D CB 0.696 41.193 40.800 -0.504 0.000 1.353 346 D HN -0.005 nan 8.370 nan 0.000 0.447 347 E N -0.363 119.140 120.200 -1.162 0.000 2.038 347 E HA -0.198 4.156 4.350 0.005 0.000 0.195 347 E C 1.265 177.695 176.600 -0.282 0.000 1.000 347 E CA 2.263 58.228 56.400 -0.725 0.000 0.803 347 E CB -0.221 29.317 29.700 -0.270 0.000 0.750 347 E HN 0.506 nan 8.360 nan 0.000 0.448 348 T N 1.179 115.587 114.554 -0.242 0.000 2.624 348 T HA -0.217 4.136 4.350 0.005 0.000 0.268 348 T C 1.839 176.487 174.700 -0.087 0.000 1.041 348 T CA 1.605 63.626 62.100 -0.133 0.000 1.159 348 T CB -0.262 68.527 68.868 -0.131 0.000 0.863 348 T HN 0.198 nan 8.240 nan 0.000 0.434 349 Q N -0.057 119.666 119.800 -0.129 0.000 2.084 349 Q HA -0.028 4.315 4.340 0.005 0.000 0.202 349 Q C 2.087 178.106 176.000 0.032 0.000 0.978 349 Q CA 1.160 56.948 55.803 -0.024 0.000 0.844 349 Q CB -0.794 27.902 28.738 -0.070 0.000 0.898 349 Q HN 0.545 nan 8.270 nan 0.000 0.426 350 F N 1.988 121.826 119.950 -0.188 0.000 2.043 350 F HA -0.285 4.245 4.527 0.005 0.000 0.297 350 F C 2.143 177.927 175.800 -0.026 0.000 1.118 350 F CA 1.858 59.798 58.000 -0.099 0.000 1.202 350 F CB -0.123 38.780 39.000 -0.162 0.000 0.965 350 F HN -0.010 nan 8.300 nan 0.000 0.482 351 K N -0.051 120.347 120.400 -0.004 0.000 2.057 351 K HA -0.245 4.079 4.320 0.005 0.000 0.207 351 K C 2.231 178.777 176.600 -0.089 0.000 1.049 351 K CA 1.795 58.037 56.287 -0.075 0.000 0.931 351 K CB -0.316 32.184 32.500 0.000 0.000 0.714 351 K HN 0.250 nan 8.250 nan 0.000 0.440 352 K N 1.208 121.588 120.400 -0.034 0.000 2.057 352 K HA -0.117 4.206 4.320 0.005 0.000 0.207 352 K C 1.990 178.633 176.600 0.071 0.000 1.049 352 K CA 1.146 57.429 56.287 -0.006 0.000 0.931 352 K CB -0.025 32.516 32.500 0.068 0.000 0.714 352 K HN 0.044 nan 8.250 nan 0.000 0.440 353 I N 1.028 121.657 120.570 0.098 0.000 2.202 353 I HA -0.291 3.883 4.170 0.005 0.000 0.242 353 I C 2.171 178.325 176.117 0.063 0.000 1.091 353 I CA 1.031 62.420 61.300 0.149 0.000 1.368 353 I CB -0.229 37.822 38.000 0.085 0.000 1.058 353 I HN 0.162 nan 8.210 nan 0.000 0.410 354 L N 0.539 121.704 121.223 -0.097 0.000 2.042 354 L HA -0.192 4.152 4.340 0.005 0.000 0.210 354 L C 2.672 179.516 176.870 -0.044 0.000 1.076 354 L CA 1.676 56.447 54.840 -0.116 0.000 0.749 354 L CB -1.189 40.716 42.059 -0.258 0.000 0.893 354 L HN 0.362 nan 8.230 nan 0.000 0.432 355 G N -1.302 107.454 108.800 -0.074 0.000 2.422 355 G HA2 -0.282 3.681 3.960 0.005 0.000 0.218 355 G HA3 -0.282 3.681 3.960 0.005 0.000 0.218 355 G C 1.359 176.192 174.900 -0.113 0.000 1.146 355 G CA 0.578 45.609 45.100 -0.115 0.000 0.769 355 G HN 0.325 nan 8.290 nan 0.000 0.547 356 Y N 0.344 120.641 120.300 -0.005 0.000 2.263 356 Y HA 0.072 4.626 4.550 0.006 0.000 0.292 356 Y C 2.735 178.638 175.900 0.005 0.000 1.130 356 Y CA 0.464 58.561 58.100 -0.004 0.000 1.179 356 Y CB 0.008 38.475 38.460 0.013 0.000 0.998 356 Y HN 0.119 nan 8.280 nan 0.000 0.532 357 I N -0.064 120.633 120.570 0.212 0.000 2.226 357 I HA -0.341 3.832 4.170 0.005 0.000 0.245 357 I C 2.210 178.442 176.117 0.192 0.000 1.100 357 I CA 1.691 63.146 61.300 0.259 0.000 1.374 357 I CB -0.449 37.683 38.000 0.221 0.000 1.057 357 I HN 0.262 nan 8.210 nan 0.000 0.413 358 N N 0.605 119.362 118.700 0.094 0.000 2.061 358 N HA -0.199 4.544 4.740 0.005 0.000 0.193 358 N C 1.747 177.275 175.510 0.029 0.000 1.030 358 N CA 2.329 55.411 53.050 0.054 0.000 0.856 358 N CB -0.141 38.350 38.487 0.007 0.000 1.023 358 N HN 0.157 nan 8.380 nan 0.000 0.424 359 T N -1.062 113.492 114.554 0.000 0.000 2.684 359 T HA -0.091 4.262 4.350 0.005 0.000 0.267 359 T C 1.745 176.403 174.700 -0.071 0.000 1.036 359 T CA 1.433 63.518 62.100 -0.025 0.000 1.148 359 T CB -1.080 67.780 68.868 -0.013 0.000 0.863 359 T HN 0.519 nan 8.240 nan 0.000 0.436 360 G N 1.360 110.061 108.800 -0.165 0.000 2.440 360 G HA2 -0.250 3.713 3.960 0.005 0.000 0.218 360 G HA3 -0.250 3.713 3.960 0.005 0.000 0.218 360 G C 1.645 176.398 174.900 -0.245 0.000 1.154 360 G CA 1.015 45.828 45.100 -0.479 0.000 0.767 360 G HN 0.433 nan 8.290 nan 0.000 0.552 361 K N -0.333 120.077 120.400 0.018 0.000 2.057 361 K HA -0.006 4.317 4.320 0.005 0.000 0.206 361 K C 2.775 179.409 176.600 0.057 0.000 1.050 361 K CA 0.991 57.360 56.287 0.137 0.000 0.935 361 K CB -0.102 32.505 32.500 0.178 0.000 0.715 361 K HN 0.111 nan 8.250 nan 0.000 0.439 362 Q N 0.915 120.729 119.800 0.022 0.000 2.084 362 Q HA -0.174 4.169 4.340 0.005 0.000 0.202 362 Q C 1.291 177.292 176.000 0.002 0.000 0.978 362 Q CA 1.544 57.354 55.803 0.011 0.000 0.844 362 Q CB 0.043 28.780 28.738 -0.001 0.000 0.898 362 Q HN 0.447 nan 8.270 nan 0.000 0.426 363 E N -1.062 119.127 120.200 -0.019 0.000 2.489 363 E HA 0.141 4.494 4.350 0.005 0.000 0.193 363 E C 0.516 177.109 176.600 -0.011 0.000 1.057 363 E CA 0.313 56.700 56.400 -0.021 0.000 0.866 363 E CB 0.312 29.989 29.700 -0.038 0.000 0.916 363 E HN 0.480 nan 8.360 nan 0.000 0.500 364 G N 1.165 109.968 108.800 0.006 0.000 2.131 364 G HA2 -0.271 3.692 3.960 0.005 0.000 0.223 364 G HA3 -0.271 3.692 3.960 0.005 0.000 0.223 364 G C 0.254 175.185 174.900 0.051 0.000 0.990 364 G CA -0.047 45.073 45.100 0.033 0.000 0.671 364 G HN 0.423 nan 8.290 nan 0.000 0.521 365 A N -0.053 122.788 122.820 0.035 0.000 2.388 365 A HA 0.649 4.973 4.320 0.005 0.000 0.257 365 A C 0.661 178.430 177.584 0.308 0.000 1.095 365 A CA 0.397 52.495 52.037 0.102 0.000 0.791 365 A CB 0.470 19.404 19.000 -0.110 0.000 1.029 365 A HN 0.615 nan 8.150 nan 0.000 0.489 366 K N 2.462 123.042 120.400 0.300 0.000 2.315 366 K HA 0.241 4.564 4.320 0.005 0.000 0.291 366 K C -0.684 176.041 176.600 0.208 0.000 1.074 366 K CA -0.383 56.043 56.287 0.231 0.000 0.936 366 K CB 0.002 32.591 32.500 0.150 0.000 1.049 366 K HN 0.574 nan 8.250 nan 0.000 0.471 367 L N 6.613 127.888 121.223 0.087 0.000 2.485 367 L HA 0.067 4.410 4.340 0.005 0.000 0.279 367 L C 0.316 177.079 176.870 -0.178 0.000 1.124 367 L CA 0.539 55.202 54.840 -0.295 0.000 0.888 367 L CB 0.289 42.215 42.059 -0.221 0.000 1.217 367 L HN 0.816 nan 8.230 nan 0.000 0.464 368 L N 4.633 125.739 121.223 -0.196 0.000 2.354 368 L HA 0.154 4.498 4.340 0.005 0.000 0.212 368 L C 0.631 177.440 176.870 -0.101 0.000 1.091 368 L CA 0.331 55.114 54.840 -0.096 0.000 0.828 368 L CB -0.078 41.950 42.059 -0.052 0.000 0.973 368 L HN 0.836 nan 8.230 nan 0.000 0.461 369 C N -3.638 115.574 119.300 -0.147 0.000 3.306 369 C HA 0.753 5.216 4.460 0.005 0.000 0.335 369 C C 0.790 175.705 174.990 -0.125 0.000 1.382 369 C CA -0.557 58.396 59.018 -0.109 0.000 1.254 369 C CB 0.854 28.549 27.740 -0.075 0.000 1.555 369 C HN 0.594 nan 8.230 nan 0.000 0.463 370 G N 0.712 109.463 108.800 -0.080 0.000 2.574 370 G HA2 0.319 4.282 3.960 0.005 0.000 0.286 370 G HA3 0.319 4.282 3.960 0.005 0.000 0.286 370 G C 1.349 176.210 174.900 -0.064 0.000 1.212 370 G CA 2.519 47.585 45.100 -0.056 0.000 0.979 370 G HN 3.317 nan 8.290 nan 0.000 0.557 371 G N -2.315 106.459 108.800 -0.044 0.000 2.201 371 G HA2 0.448 4.411 3.960 0.005 0.000 0.212 371 G HA3 0.448 4.411 3.960 0.005 0.000 0.212 371 G C 1.412 176.319 174.900 0.011 0.000 0.994 371 G CA 0.949 46.033 45.100 -0.027 0.000 0.644 371 G HN 2.583 nan 8.290 nan 0.000 0.508 372 G N -0.893 107.916 108.800 0.015 0.000 2.870 372 G HA2 0.668 4.631 3.960 0.005 0.000 0.299 372 G HA3 0.668 4.631 3.960 0.005 0.000 0.299 372 G C -0.287 174.644 174.900 0.052 0.000 1.324 372 G CA -0.610 44.504 45.100 0.022 0.000 0.808 372 G HN 0.654 nan 8.290 nan 0.000 0.535 373 I N 1.087 121.707 120.570 0.084 0.000 2.692 373 I HA 0.314 4.487 4.170 0.005 0.000 0.284 373 I C 1.263 177.467 176.117 0.145 0.000 1.159 373 I CA 0.024 61.433 61.300 0.183 0.000 1.423 373 I CB 1.589 39.737 38.000 0.247 0.000 1.380 373 I HN 0.540 nan 8.210 nan 0.000 0.580 374 A N 4.669 127.601 122.820 0.187 0.000 2.431 374 A HA 0.703 5.027 4.320 0.005 0.000 0.239 374 A C 0.631 178.238 177.584 0.038 0.000 1.230 374 A CA 0.335 52.434 52.037 0.104 0.000 0.928 374 A CB 0.251 19.324 19.000 0.121 0.000 1.006 374 A HN 0.821 nan 8.150 nan 0.000 0.520 375 A N -0.817 122.054 122.820 0.085 0.000 2.589 375 A HA 0.551 4.875 4.320 0.005 0.000 0.296 375 A C -0.790 176.818 177.584 0.040 0.000 1.062 375 A CA -0.337 51.693 52.037 -0.011 0.000 0.686 375 A CB 0.529 19.431 19.000 -0.163 0.000 1.282 375 A HN -0.062 nan 8.150 nan 0.000 0.404 376 D N -0.057 120.338 120.400 -0.009 0.000 2.363 376 D HA 0.084 4.727 4.640 0.005 0.000 0.220 376 D C 0.545 176.831 176.300 -0.023 0.000 0.994 376 D CA 1.124 55.123 54.000 -0.002 0.000 0.890 376 D CB 0.280 41.071 40.800 -0.016 0.000 0.906 376 D HN 0.483 nan 8.370 nan 0.000 0.530 377 R N -0.710 119.772 120.500 -0.029 0.000 2.604 377 R HA 0.496 4.840 4.340 0.005 0.000 0.281 377 R C -0.570 175.725 176.300 -0.010 0.000 1.020 377 R CA -0.149 55.911 56.100 -0.066 0.000 0.899 377 R CB 1.727 31.988 30.300 -0.066 0.000 1.205 377 R HN 0.036 nan 8.270 nan 0.000 0.450 378 G N 1.913 110.579 108.800 -0.223 0.000 2.712 378 G HA2 -0.253 3.710 3.960 0.005 0.000 0.686 378 G HA3 -0.253 3.710 3.960 0.005 0.000 0.686 378 G C -0.884 173.700 174.900 -0.527 0.000 1.321 378 G CA -0.470 44.415 45.100 -0.358 0.000 0.813 378 G HN 0.609 nan 8.290 nan 0.000 0.599 379 Y N 0.029 120.011 120.300 -0.531 0.000 3.040 379 Y HA 0.424 4.977 4.550 0.005 0.000 0.392 379 Y C 1.035 176.773 175.900 -0.270 0.000 1.105 379 Y CA -0.502 57.170 58.100 -0.713 0.000 1.950 379 Y CB -0.335 37.796 38.460 -0.547 0.000 2.014 379 Y HN 0.344 nan 8.280 nan 0.000 0.433 380 F N 1.298 121.300 119.950 0.086 0.000 2.427 380 F HA 0.399 4.929 4.527 0.005 0.000 0.352 380 F C 0.271 176.262 175.800 0.319 0.000 1.100 380 F CA -0.551 57.550 58.000 0.167 0.000 1.191 380 F CB 0.541 39.574 39.000 0.054 0.000 1.128 380 F HN -0.004 nan 8.300 nan 0.000 0.533 381 I N 2.634 123.436 120.570 0.386 0.000 2.545 381 I HA 0.210 4.383 4.170 0.005 0.000 0.292 381 I C -0.556 175.665 176.117 0.172 0.000 1.040 381 I CA -1.012 60.440 61.300 0.253 0.000 1.068 381 I CB 1.997 40.096 38.000 0.165 0.000 1.251 381 I HN 0.517 nan 8.210 nan 0.000 0.424 382 Q N 6.056 125.925 119.800 0.117 0.000 2.315 382 Q HA 0.114 4.458 4.340 0.005 0.000 0.289 382 Q C -2.270 173.768 176.000 0.063 0.000 1.044 382 Q CA -1.464 54.378 55.803 0.065 0.000 0.920 382 Q CB -0.045 28.712 28.738 0.030 0.000 1.214 382 Q HN 0.231 nan 8.270 nan 0.000 0.392 383 P HA -0.060 nan 4.420 nan 0.000 0.260 383 P C -1.058 176.286 177.300 0.074 0.000 1.185 383 P CA 0.601 63.704 63.100 0.004 0.000 0.763 383 P CB 0.549 32.061 31.700 -0.314 0.000 0.776 384 T N 2.869 117.557 114.554 0.222 0.000 2.829 384 T HA 0.508 4.862 4.350 0.005 0.000 0.280 384 T C -0.429 174.332 174.700 0.101 0.000 0.999 384 T CA -0.460 61.686 62.100 0.077 0.000 0.983 384 T CB 1.171 70.061 68.868 0.036 0.000 0.968 384 T HN -0.049 nan 8.240 nan 0.000 0.446 385 V N 3.368 123.237 119.914 -0.076 0.000 2.638 385 V HA 0.558 4.681 4.120 0.005 0.000 0.306 385 V C -1.175 174.776 176.094 -0.240 0.000 1.052 385 V CA -0.900 61.377 62.300 -0.037 0.000 0.885 385 V CB 1.487 33.333 31.823 0.038 0.000 0.999 385 V HN 0.830 nan 8.190 nan 0.000 0.424 386 F N 2.160 122.137 119.950 0.045 0.000 2.458 386 F HA 0.782 5.312 4.527 0.005 0.000 0.336 386 F C 0.877 176.706 175.800 0.048 0.000 1.114 386 F CA -0.296 57.729 58.000 0.041 0.000 0.987 386 F CB 2.143 41.161 39.000 0.029 0.000 1.130 386 F HN 0.601 nan 8.300 nan 0.000 0.458 387 G N 0.660 109.607 108.800 0.245 0.000 2.471 387 G HA2 0.409 4.373 3.960 0.005 0.000 0.332 387 G HA3 0.409 4.373 3.960 0.005 0.000 0.332 387 G C -0.744 174.294 174.900 0.231 0.000 1.176 387 G CA -0.695 44.536 45.100 0.218 0.000 0.949 387 G HN 0.764 nan 8.290 nan 0.000 0.488 388 D N -1.439 119.128 120.400 0.278 0.000 2.751 388 D HA -0.183 4.461 4.640 0.005 0.000 0.233 388 D C 0.661 177.023 176.300 0.102 0.000 1.149 388 D CA 0.591 54.690 54.000 0.165 0.000 0.682 388 D CB -0.933 39.937 40.800 0.118 0.000 1.068 388 D HN 0.286 nan 8.370 nan 0.000 0.429 389 V N 0.596 120.569 119.914 0.098 0.000 2.763 389 V HA 0.010 4.133 4.120 0.005 0.000 0.306 389 V C 0.849 176.951 176.094 0.013 0.000 1.059 389 V CA 0.337 62.657 62.300 0.034 0.000 1.138 389 V CB 1.220 33.043 31.823 0.000 0.000 0.940 389 V HN 0.125 nan 8.190 nan 0.000 0.489 390 Q N 2.226 122.030 119.800 0.005 0.000 2.266 390 Q HA 0.299 4.642 4.340 0.005 0.000 0.261 390 Q C 0.458 176.471 176.000 0.022 0.000 0.985 390 Q CA -0.758 55.058 55.803 0.020 0.000 0.873 390 Q CB 1.573 30.323 28.738 0.021 0.000 1.306 390 Q HN 0.660 nan 8.270 nan 0.000 0.447 391 D N 1.687 122.120 120.400 0.055 0.000 2.203 391 D HA -0.150 4.493 4.640 0.005 0.000 0.199 391 D C 1.502 177.831 176.300 0.047 0.000 0.997 391 D CA 1.774 55.817 54.000 0.073 0.000 0.863 391 D CB -0.020 40.845 40.800 0.107 0.000 0.928 391 D HN 0.839 nan 8.370 nan 0.000 0.458 392 G N -0.580 108.240 108.800 0.034 0.000 2.712 392 G HA2 -0.002 3.961 3.960 0.005 0.000 0.212 392 G HA3 -0.002 3.961 3.960 0.005 0.000 0.212 392 G C 0.701 175.610 174.900 0.014 0.000 1.142 392 G CA -0.203 44.912 45.100 0.025 0.000 0.789 392 G HN 0.172 nan 8.290 nan 0.000 0.535 393 M N 0.795 120.396 119.600 0.002 0.000 2.238 393 M HA 0.150 4.633 4.480 0.005 0.000 0.347 393 M C 1.809 178.104 176.300 -0.008 0.000 1.173 393 M CA -0.162 55.128 55.300 -0.017 0.000 1.147 393 M CB 1.112 33.681 32.600 -0.051 0.000 1.547 393 M HN -0.061 nan 8.290 nan 0.000 0.455 394 T N 2.611 117.167 114.554 0.002 0.000 2.699 394 T HA -0.155 4.198 4.350 0.005 0.000 0.268 394 T C 1.489 176.212 174.700 0.038 0.000 1.036 394 T CA 1.814 63.943 62.100 0.048 0.000 1.147 394 T CB -0.515 68.401 68.868 0.081 0.000 0.862 394 T HN 0.779 nan 8.240 nan 0.000 0.446 395 I N -0.515 120.037 120.570 -0.031 0.000 3.176 395 I HA 0.232 4.405 4.170 0.005 0.000 0.275 395 I C 2.194 178.256 176.117 -0.092 0.000 1.298 395 I CA 0.733 61.977 61.300 -0.094 0.000 1.445 395 I CB -0.375 37.501 38.000 -0.207 0.000 1.075 395 I HN 0.091 nan 8.210 nan 0.000 0.482 396 A N 1.061 123.849 122.820 -0.053 0.000 2.220 396 A HA 0.203 4.526 4.320 0.005 0.000 0.211 396 A C 2.149 179.743 177.584 0.017 0.000 1.176 396 A CA 0.166 52.183 52.037 -0.034 0.000 0.834 396 A CB -0.006 18.978 19.000 -0.027 0.000 0.868 396 A HN 0.420 nan 8.150 nan 0.000 0.488 397 K N -0.312 120.109 120.400 0.034 0.000 2.367 397 K HA 0.168 4.491 4.320 0.005 0.000 0.198 397 K C -0.155 176.525 176.600 0.132 0.000 1.132 397 K CA 0.267 56.605 56.287 0.086 0.000 0.941 397 K CB 0.551 33.096 32.500 0.073 0.000 1.052 397 K HN 0.401 nan 8.250 nan 0.000 0.507 398 E N 1.864 122.110 120.200 0.076 0.000 2.204 398 E HA 0.099 4.453 4.350 0.005 0.000 0.276 398 E C -1.007 175.528 176.600 -0.108 0.000 0.974 398 E CA -0.387 56.064 56.400 0.084 0.000 0.815 398 E CB 1.823 31.618 29.700 0.158 0.000 1.119 398 E HN 0.074 nan 8.360 nan 0.000 0.393 399 E N 3.022 123.188 120.200 -0.055 0.000 2.328 399 E HA -0.017 4.336 4.350 0.005 0.000 0.265 399 E C 0.320 176.751 176.600 -0.282 0.000 1.057 399 E CA 0.021 56.328 56.400 -0.154 0.000 0.916 399 E CB 0.433 30.053 29.700 -0.132 0.000 0.993 399 E HN 0.530 nan 8.360 nan 0.000 0.446 400 I N 4.444 124.821 120.570 -0.321 0.000 2.494 400 I HA -0.054 4.119 4.170 0.005 0.000 0.250 400 I C 0.773 176.939 176.117 0.081 0.000 1.112 400 I CA 0.210 61.289 61.300 -0.369 0.000 1.438 400 I CB 0.039 37.859 38.000 -0.301 0.000 1.111 400 I HN 0.760 nan 8.210 nan 0.000 0.431 401 F N 1.319 121.212 119.950 -0.095 0.000 3.074 401 F HA -0.220 4.311 4.527 0.006 0.000 0.289 401 F C 0.445 176.268 175.800 0.038 0.000 0.863 401 F CA 0.163 58.160 58.000 -0.004 0.000 1.121 401 F CB -1.100 37.941 39.000 0.068 0.000 1.169 401 F HN 0.197 nan 8.300 nan 0.000 0.570 402 G N -0.594 108.218 108.800 0.020 0.000 2.727 402 G HA2 0.627 4.590 3.960 0.005 0.000 0.289 402 G HA3 0.627 4.590 3.960 0.005 0.000 0.289 402 G C -3.063 171.826 174.900 -0.018 0.000 1.418 402 G CA -0.941 44.172 45.100 0.021 0.000 0.818 402 G HN -0.231 nan 8.290 nan 0.000 0.486 403 P HA 0.313 nan 4.420 nan 0.000 0.225 403 P C -0.627 176.786 177.300 0.187 0.000 1.768 403 P CA -0.164 63.050 63.100 0.189 0.000 0.943 403 P CB 0.274 32.155 31.700 0.300 0.000 1.936 404 V N 2.166 122.080 119.914 0.001 0.000 2.409 404 V HA 0.388 4.511 4.120 0.005 0.000 0.290 404 V C 0.047 176.101 176.094 -0.068 0.000 1.017 404 V CA -0.616 61.718 62.300 0.057 0.000 0.841 404 V CB 1.992 33.893 31.823 0.130 0.000 1.003 404 V HN 0.267 nan 8.190 nan 0.000 0.426 405 M N 4.080 123.658 119.600 -0.036 0.000 2.238 405 M HA 0.583 5.066 4.480 0.005 0.000 0.350 405 M C -0.883 175.449 176.300 0.053 0.000 1.138 405 M CA -0.455 54.778 55.300 -0.110 0.000 1.040 405 M CB 1.541 34.063 32.600 -0.129 0.000 1.639 405 M HN 0.633 nan 8.290 nan 0.000 0.451 406 Q N 4.963 124.756 119.800 -0.010 0.000 2.333 406 Q HA 0.597 4.940 4.340 0.005 0.000 0.265 406 Q C -1.286 174.697 176.000 -0.027 0.000 0.989 406 Q CA 0.035 55.846 55.803 0.013 0.000 0.842 406 Q CB 1.767 30.470 28.738 -0.058 0.000 1.262 406 Q HN 0.681 nan 8.270 nan 0.000 0.451 407 I N 3.746 124.337 120.570 0.036 0.000 2.433 407 I HA 0.468 4.641 4.170 0.005 0.000 0.292 407 I C -0.939 175.233 176.117 0.092 0.000 1.001 407 I CA -0.981 60.341 61.300 0.036 0.000 1.119 407 I CB 1.094 39.136 38.000 0.069 0.000 1.289 407 I HN 0.328 nan 8.210 nan 0.000 0.438 408 L N 5.940 127.184 121.223 0.035 0.000 2.354 408 L HA 0.538 4.882 4.340 0.005 0.000 0.264 408 L C -0.282 176.742 176.870 0.256 0.000 1.008 408 L CA -0.559 54.316 54.840 0.058 0.000 0.819 408 L CB 1.705 43.606 42.059 -0.263 0.000 1.339 408 L HN 0.435 nan 8.230 nan 0.000 0.420 409 K N 1.636 122.121 120.400 0.142 0.000 2.182 409 K HA 0.706 5.030 4.320 0.005 0.000 0.262 409 K C -1.413 175.310 176.600 0.205 0.000 0.957 409 K CA -0.466 55.826 56.287 0.007 0.000 0.842 409 K CB 1.183 33.406 32.500 -0.461 0.000 1.099 409 K HN 0.523 nan 8.250 nan 0.000 0.438 410 F N 1.227 121.231 119.950 0.090 0.000 2.650 410 F HA 0.483 5.014 4.527 0.007 0.000 0.320 410 F C 0.253 176.079 175.800 0.043 0.000 1.091 410 F CA -0.937 57.115 58.000 0.087 0.000 0.962 410 F CB 1.524 40.606 39.000 0.136 0.000 1.363 410 F HN 0.476 nan 8.300 nan 0.000 0.482 411 K N -0.050 120.451 120.400 0.169 0.000 2.309 411 K HA 0.248 4.571 4.320 0.005 0.000 0.210 411 K C 0.147 176.833 176.600 0.143 0.000 1.114 411 K CA 0.964 57.267 56.287 0.027 0.000 0.912 411 K CB 0.280 32.803 32.500 0.039 0.000 1.198 411 K HN 0.908 nan 8.250 nan 0.000 0.471 412 T N -2.002 112.712 114.554 0.267 0.000 2.950 412 T HA 0.284 4.638 4.350 0.005 0.000 0.288 412 T C 1.097 175.942 174.700 0.243 0.000 1.035 412 T CA -0.871 61.350 62.100 0.201 0.000 1.028 412 T CB 1.463 70.388 68.868 0.095 0.000 1.109 412 T HN 0.204 nan 8.240 nan 0.000 0.514 413 I N 0.278 120.927 120.570 0.131 0.000 2.439 413 I HA -0.063 4.111 4.170 0.005 0.000 0.251 413 I C 2.058 178.200 176.117 0.042 0.000 1.139 413 I CA 1.353 62.690 61.300 0.061 0.000 1.438 413 I CB -0.006 37.975 38.000 -0.032 0.000 1.085 413 I HN 0.766 nan 8.210 nan 0.000 0.427 414 E N 0.645 120.871 120.200 0.043 0.000 2.072 414 E HA -0.261 4.092 4.350 0.005 0.000 0.190 414 E C 1.960 178.573 176.600 0.022 0.000 0.982 414 E CA 1.241 57.685 56.400 0.073 0.000 0.803 414 E CB -0.218 29.516 29.700 0.058 0.000 0.755 414 E HN 0.501 nan 8.360 nan 0.000 0.453 415 E N 0.623 120.836 120.200 0.021 0.000 2.058 415 E HA -0.210 4.143 4.350 0.005 0.000 0.194 415 E C 2.093 178.631 176.600 -0.102 0.000 0.997 415 E CA 1.387 57.789 56.400 0.004 0.000 0.801 415 E CB -0.066 29.680 29.700 0.076 0.000 0.746 415 E HN 0.183 nan 8.360 nan 0.000 0.450 416 V N 0.310 120.087 119.914 -0.228 0.000 2.548 416 V HA -0.165 3.959 4.120 0.005 0.000 0.249 416 V C 2.345 178.150 176.094 -0.481 0.000 1.055 416 V CA 1.232 63.186 62.300 -0.576 0.000 1.065 416 V CB 0.101 31.200 31.823 -1.206 0.000 0.681 416 V HN 0.228 nan 8.190 nan 0.000 0.462 417 V N 0.889 120.649 119.914 -0.258 0.000 2.287 417 V HA -0.218 3.905 4.120 0.005 0.000 0.248 417 V C 2.683 178.677 176.094 -0.167 0.000 1.053 417 V CA 2.359 64.553 62.300 -0.176 0.000 1.027 417 V CB -1.442 30.351 31.823 -0.051 0.000 0.646 417 V HN 0.641 nan 8.190 nan 0.000 0.447 418 G N -0.574 108.153 108.800 -0.123 0.000 2.418 418 G HA2 -0.241 3.722 3.960 0.005 0.000 0.217 418 G HA3 -0.241 3.722 3.960 0.005 0.000 0.217 418 G C 1.754 176.591 174.900 -0.105 0.000 1.158 418 G CA 0.785 45.834 45.100 -0.086 0.000 0.771 418 G HN 0.457 nan 8.290 nan 0.000 0.545 419 R N 0.367 120.765 120.500 -0.170 0.000 2.073 419 R HA 0.162 4.505 4.340 0.005 0.000 0.229 419 R C 3.037 179.235 176.300 -0.169 0.000 1.120 419 R CA 0.965 56.982 56.100 -0.138 0.000 0.967 419 R CB -0.340 29.881 30.300 -0.132 0.000 0.862 419 R HN 0.327 nan 8.270 nan 0.000 0.436 420 A N 1.583 124.158 122.820 -0.409 0.000 1.933 420 A HA -0.156 4.168 4.320 0.005 0.000 0.218 420 A C 1.627 179.166 177.584 -0.076 0.000 1.175 420 A CA 1.475 53.346 52.037 -0.275 0.000 0.628 420 A CB -0.344 18.429 19.000 -0.378 0.000 0.814 420 A HN 0.218 nan 8.150 nan 0.000 0.444 421 N N 0.207 118.853 118.700 -0.091 0.000 2.463 421 N HA -0.048 4.695 4.740 0.005 0.000 0.181 421 N C 0.181 175.687 175.510 -0.008 0.000 1.078 421 N CA 0.264 53.289 53.050 -0.042 0.000 0.902 421 N CB -0.403 38.050 38.487 -0.056 0.000 0.970 421 N HN 0.369 nan 8.380 nan 0.000 0.451 422 N N 1.038 119.738 118.700 -0.000 0.000 2.739 422 N HA 0.057 4.800 4.740 0.005 0.000 0.266 422 N C -1.324 174.216 175.510 0.050 0.000 1.168 422 N CA 0.165 53.228 53.050 0.021 0.000 1.055 422 N CB -0.181 38.321 38.487 0.025 0.000 1.393 422 N HN -0.087 nan 8.380 nan 0.000 0.514 423 S N 0.310 116.035 115.700 0.043 0.000 2.558 423 S HA 0.188 4.662 4.470 0.005 0.000 0.277 423 S C 0.655 175.265 174.600 0.017 0.000 1.143 423 S CA -0.438 57.798 58.200 0.061 0.000 0.865 423 S CB 0.097 63.376 63.200 0.131 0.000 1.102 423 S HN 0.417 nan 8.310 nan 0.000 0.454 424 T N 0.756 115.275 114.554 -0.059 0.000 3.129 424 T HA 0.277 4.630 4.350 0.005 0.000 0.251 424 T C 0.415 175.018 174.700 -0.161 0.000 1.117 424 T CA 0.432 62.449 62.100 -0.139 0.000 1.034 424 T CB -0.521 68.209 68.868 -0.230 0.000 0.968 424 T HN 0.528 nan 8.240 nan 0.000 0.526 425 Y N 0.524 120.842 120.300 0.031 0.000 2.376 425 Y HA 0.571 5.124 4.550 0.005 0.000 0.325 425 Y C 1.235 177.149 175.900 0.024 0.000 1.199 425 Y CA -0.852 57.267 58.100 0.033 0.000 1.206 425 Y CB 1.781 40.266 38.460 0.041 0.000 1.229 425 Y HN 0.133 nan 8.280 nan 0.000 0.480 426 G N 1.921 110.840 108.800 0.198 0.000 5.414 426 G HA2 0.102 4.065 3.960 0.005 0.000 0.202 426 G HA3 0.102 4.065 3.960 0.005 0.000 0.202 426 G C -0.098 174.759 174.900 -0.072 0.000 0.727 426 G CA -0.201 44.932 45.100 0.056 0.000 0.670 426 G HN 0.552 nan 8.290 nan 0.000 0.442 427 L N 0.712 121.906 121.223 -0.048 0.000 2.034 427 L HA 0.728 5.071 4.340 0.005 0.000 0.203 427 L C 1.199 177.898 176.870 -0.285 0.000 1.074 427 L CA 2.209 56.954 54.840 -0.158 0.000 0.748 427 L CB -0.146 41.894 42.059 -0.032 0.000 0.905 427 L HN 0.379 nan 8.230 nan 0.000 0.439 428 A N -2.154 120.570 122.820 -0.160 0.000 2.564 428 A HA 0.903 5.227 4.320 0.005 0.000 0.288 428 A C -1.400 176.111 177.584 -0.121 0.000 1.164 428 A CA -0.054 51.830 52.037 -0.255 0.000 0.712 428 A CB 1.150 20.044 19.000 -0.176 0.000 1.303 428 A HN 0.496 nan 8.150 nan 0.000 0.418 429 A N -1.126 121.593 122.820 -0.169 0.000 2.601 429 A HA 0.977 5.300 4.320 0.005 0.000 0.291 429 A C -0.707 176.932 177.584 0.092 0.000 1.075 429 A CA 0.065 52.117 52.037 0.027 0.000 0.671 429 A CB 0.768 19.739 19.000 -0.047 0.000 1.277 429 A HN 2.640 nan 8.150 nan 0.000 0.417 430 A N -0.169 122.825 122.820 0.289 0.000 2.539 430 A HA 0.789 5.112 4.320 0.005 0.000 0.296 430 A C -1.422 176.365 177.584 0.338 0.000 1.073 430 A CA -0.508 51.761 52.037 0.387 0.000 0.700 430 A CB 1.614 21.080 19.000 0.777 0.000 1.296 430 A HN 1.689 nan 8.150 nan 0.000 0.405 431 V N 1.198 121.260 119.914 0.247 0.000 2.588 431 V HA 0.575 4.698 4.120 0.005 0.000 0.304 431 V C -1.498 174.697 176.094 0.168 0.000 1.042 431 V CA -0.268 62.166 62.300 0.223 0.000 0.877 431 V CB 1.438 33.325 31.823 0.106 0.000 0.996 431 V HN 0.712 nan 8.190 nan 0.000 0.425 432 F N 2.740 122.803 119.950 0.189 0.000 2.403 432 F HA 0.751 5.281 4.527 0.004 0.000 0.355 432 F C 0.291 176.201 175.800 0.183 0.000 1.119 432 F CA -0.203 57.921 58.000 0.207 0.000 1.007 432 F CB 2.042 41.175 39.000 0.221 0.000 1.194 432 F HN 0.514 nan 8.300 nan 0.000 0.443 433 T N 2.117 116.814 114.554 0.239 0.000 2.893 433 T HA 0.259 4.613 4.350 0.005 0.000 0.337 433 T C 0.026 174.803 174.700 0.129 0.000 1.587 433 T CA -0.698 61.512 62.100 0.184 0.000 1.066 433 T CB 1.397 70.355 68.868 0.150 0.000 1.414 433 T HN 0.637 nan 8.240 nan 0.000 0.488 434 K N 0.966 121.433 120.400 0.113 0.000 2.374 434 K HA 0.177 4.501 4.320 0.005 0.000 0.196 434 K C -0.292 176.342 176.600 0.057 0.000 1.023 434 K CA -0.038 56.296 56.287 0.078 0.000 1.103 434 K CB 0.273 32.818 32.500 0.075 0.000 0.848 434 K HN 0.460 nan 8.250 nan 0.000 0.528 435 D N 0.981 121.418 120.400 0.062 0.000 2.317 435 D HA 0.038 4.681 4.640 0.005 0.000 0.234 435 D C 0.837 177.163 176.300 0.044 0.000 1.112 435 D CA -0.330 53.699 54.000 0.049 0.000 0.840 435 D CB 1.131 41.960 40.800 0.049 0.000 1.078 435 D HN -0.164 nan 8.370 nan 0.000 0.486 436 L N 4.167 125.410 121.223 0.034 0.000 1.997 436 L HA -0.188 4.155 4.340 0.005 0.000 0.216 436 L C 1.269 178.164 176.870 0.041 0.000 1.074 436 L CA 2.055 56.914 54.840 0.032 0.000 0.763 436 L CB -0.413 41.660 42.059 0.024 0.000 0.890 436 L HN 0.504 nan 8.230 nan 0.000 0.434 437 D N -0.552 119.871 120.400 0.039 0.000 2.117 437 D HA -0.167 4.476 4.640 0.005 0.000 0.197 437 D C 2.235 178.578 176.300 0.073 0.000 0.987 437 D CA 1.311 55.340 54.000 0.048 0.000 0.829 437 D CB -0.046 40.770 40.800 0.026 0.000 0.961 437 D HN 0.402 nan 8.370 nan 0.000 0.460 438 K N 0.405 120.839 120.400 0.058 0.000 2.057 438 K HA -0.019 4.305 4.320 0.005 0.000 0.206 438 K C 2.107 178.782 176.600 0.124 0.000 1.050 438 K CA 1.075 57.410 56.287 0.080 0.000 0.935 438 K CB -0.062 32.477 32.500 0.065 0.000 0.715 438 K HN 0.021 nan 8.250 nan 0.000 0.439 439 A N 2.053 124.925 122.820 0.087 0.000 1.877 439 A HA -0.205 4.118 4.320 0.005 0.000 0.216 439 A C 1.823 179.444 177.584 0.062 0.000 1.186 439 A CA 1.740 53.817 52.037 0.067 0.000 0.620 439 A CB -0.495 18.530 19.000 0.042 0.000 0.822 439 A HN 0.227 nan 8.150 nan 0.000 0.443 440 N N -1.500 117.241 118.700 0.067 0.000 2.142 440 N HA -0.152 4.592 4.740 0.005 0.000 0.186 440 N C 1.605 177.157 175.510 0.071 0.000 1.023 440 N CA 1.656 54.737 53.050 0.053 0.000 0.852 440 N CB -0.652 37.864 38.487 0.048 0.000 0.998 440 N HN 0.699 nan 8.380 nan 0.000 0.424 441 Y N 1.447 121.742 120.300 -0.009 0.000 2.181 441 Y HA -0.088 4.466 4.550 0.007 0.000 0.288 441 Y C 2.136 178.021 175.900 -0.025 0.000 1.146 441 Y CA 1.351 59.443 58.100 -0.013 0.000 1.164 441 Y CB -0.266 38.190 38.460 -0.006 0.000 0.982 441 Y HN -0.034 nan 8.280 nan 0.000 0.515 442 L N -0.420 120.877 121.223 0.123 0.000 2.068 442 L HA -0.175 4.168 4.340 0.005 0.000 0.204 442 L C 2.794 179.615 176.870 -0.081 0.000 1.076 442 L CA 1.358 56.205 54.840 0.011 0.000 0.753 442 L CB -0.771 41.342 42.059 0.089 0.000 0.910 442 L HN 0.344 nan 8.230 nan 0.000 0.439 443 S N -0.715 114.953 115.700 -0.053 0.000 2.383 443 S HA -0.328 4.146 4.470 0.005 0.000 0.229 443 S C 1.876 176.406 174.600 -0.117 0.000 1.030 443 S CA 1.634 59.782 58.200 -0.086 0.000 1.002 443 S CB -0.478 62.683 63.200 -0.066 0.000 0.829 443 S HN 0.514 nan 8.310 nan 0.000 0.467 444 Q N 1.385 121.112 119.800 -0.121 0.000 2.049 444 Q HA 0.066 4.409 4.340 0.005 0.000 0.198 444 Q C 2.312 178.210 176.000 -0.171 0.000 0.971 444 Q CA 1.141 56.864 55.803 -0.133 0.000 0.833 444 Q CB -0.544 28.118 28.738 -0.127 0.000 0.896 444 Q HN 0.665 nan 8.270 nan 0.000 0.434 445 A N 0.916 123.578 122.820 -0.263 0.000 1.930 445 A HA 0.026 4.350 4.320 0.005 0.000 0.217 445 A C 1.027 178.502 177.584 -0.182 0.000 1.175 445 A CA 0.357 52.224 52.037 -0.284 0.000 0.627 445 A CB -0.535 18.170 19.000 -0.491 0.000 0.815 445 A HN 0.400 nan 8.150 nan 0.000 0.443 446 L N 0.916 122.038 121.223 -0.168 0.000 2.462 446 L HA 0.022 4.365 4.340 0.005 0.000 0.272 446 L C 0.172 176.957 176.870 -0.141 0.000 1.166 446 L CA -0.096 54.657 54.840 -0.146 0.000 0.880 446 L CB 0.441 42.413 42.059 -0.145 0.000 1.142 446 L HN 0.418 nan 8.230 nan 0.000 0.473 447 Q N 3.868 123.608 119.800 -0.100 0.000 3.027 447 Q HA 0.464 4.807 4.340 0.005 0.000 0.260 447 Q C -0.300 175.575 176.000 -0.209 0.000 1.379 447 Q CA -0.284 55.501 55.803 -0.031 0.000 1.038 447 Q CB 0.594 29.371 28.738 0.065 0.000 1.578 447 Q HN 0.689 nan 8.270 nan 0.000 0.571 448 A N -0.469 122.018 122.820 -0.555 0.000 2.498 448 A HA 0.703 5.027 4.320 0.005 0.000 0.298 448 A C 0.874 177.697 177.584 -1.269 0.000 1.075 448 A CA -0.453 51.132 52.037 -0.753 0.000 0.714 448 A CB 1.237 19.983 19.000 -0.422 0.000 1.299 448 A HN 0.497 nan 8.150 nan 0.000 0.407 449 G N -0.304 107.835 108.800 -1.102 0.000 2.448 449 G HA2 0.308 4.271 3.960 0.005 0.000 0.218 449 G HA3 0.308 4.271 3.960 0.005 0.000 0.218 449 G C 0.459 174.978 174.900 -0.635 0.000 1.135 449 G CA 1.533 46.127 45.100 -0.844 0.000 0.784 449 G HN 0.778 nan 8.290 nan 0.000 0.543 450 T N -0.114 114.031 114.554 -0.681 0.000 2.881 450 T HA 0.513 4.866 4.350 0.005 0.000 0.290 450 T C -1.120 173.101 174.700 -0.799 0.000 1.000 450 T CA -0.371 61.272 62.100 -0.761 0.000 0.978 450 T CB 2.698 70.988 68.868 -0.963 0.000 0.997 450 T HN -0.121 nan 8.240 nan 0.000 0.443 451 V N 3.925 123.439 119.914 -0.667 0.000 2.407 451 V HA 0.426 4.550 4.120 0.005 0.000 0.291 451 V C -0.704 175.138 176.094 -0.420 0.000 1.018 451 V CA -1.015 61.001 62.300 -0.474 0.000 0.842 451 V CB 1.231 32.887 31.823 -0.278 0.000 0.996 451 V HN 0.768 nan 8.190 nan 0.000 0.426 452 W N 3.679 124.867 121.300 -0.187 0.000 2.365 452 W HA 0.613 5.276 4.660 0.005 0.000 0.316 452 W C -0.514 175.921 176.519 -0.140 0.000 1.164 452 W CA -0.695 56.546 57.345 -0.173 0.000 1.204 452 W CB 1.832 31.158 29.460 -0.224 0.000 1.213 452 W HN 0.260 nan 8.180 nan 0.000 0.539 453 V N 4.906 124.866 119.914 0.077 0.000 2.378 453 V HA 0.126 4.250 4.120 0.005 0.000 0.288 453 V C 0.237 176.221 176.094 -0.183 0.000 1.016 453 V CA -0.891 61.371 62.300 -0.064 0.000 0.840 453 V CB 1.016 32.822 31.823 -0.030 0.000 0.994 453 V HN 0.679 nan 8.190 nan 0.000 0.431 454 N N 1.886 120.239 118.700 -0.578 0.000 2.741 454 N HA -0.179 4.564 4.740 0.005 0.000 0.251 454 N C -0.162 175.225 175.510 -0.206 0.000 1.112 454 N CA 1.366 53.988 53.050 -0.713 0.000 0.750 454 N CB -1.181 37.237 38.487 -0.115 0.000 1.119 454 N HN 1.017 nan 8.380 nan 0.000 0.561 455 C N -4.035 115.129 119.300 -0.228 0.000 3.293 455 C HA 0.842 5.306 4.460 0.005 0.000 0.362 455 C C -0.843 174.253 174.990 0.176 0.000 1.539 455 C CA -1.283 57.829 59.018 0.157 0.000 1.201 455 C CB 1.912 29.726 27.740 0.122 0.000 1.770 455 C HN 0.254 nan 8.230 nan 0.000 0.440 456 Y N -0.350 119.823 120.300 -0.213 0.000 2.592 456 Y HA 0.455 5.008 4.550 0.005 0.000 0.334 456 Y C -0.389 174.921 175.900 -0.983 0.000 1.136 456 Y CA 0.367 58.100 58.100 -0.612 0.000 1.042 456 Y CB 1.351 39.757 38.460 -0.090 0.000 1.325 456 Y HN 1.001 nan 8.280 nan 0.000 0.457 457 D N 1.562 120.802 120.400 -1.933 0.000 2.837 457 D HA -0.143 4.500 4.640 0.005 0.000 0.230 457 D C -0.951 175.060 176.300 -0.483 0.000 1.152 457 D CA 0.968 54.433 54.000 -0.892 0.000 0.736 457 D CB -1.034 39.624 40.800 -0.237 0.000 1.084 457 D HN 0.155 nan 8.370 nan 0.000 0.429 458 V N 1.461 120.840 119.914 -0.892 0.000 2.339 458 V HA 0.293 4.416 4.120 0.005 0.000 0.261 458 V C 0.454 176.530 176.094 -0.029 0.000 1.058 458 V CA -0.181 61.985 62.300 -0.222 0.000 0.897 458 V CB -0.055 31.676 31.823 -0.152 0.000 1.052 458 V HN -0.023 nan 8.190 nan 0.000 0.480 459 F N 2.489 122.478 119.950 0.064 0.000 2.470 459 F HA 0.857 5.388 4.527 0.006 0.000 0.329 459 F C 0.796 176.612 175.800 0.027 0.000 1.072 459 F CA -0.618 57.428 58.000 0.076 0.000 0.989 459 F CB 2.080 41.110 39.000 0.050 0.000 1.193 459 F HN 0.491 nan 8.300 nan 0.000 0.481 460 G N -0.300 108.591 108.800 0.151 0.000 2.659 460 G HA2 0.524 4.487 3.960 0.005 0.000 0.296 460 G HA3 0.524 4.487 3.960 0.005 0.000 0.296 460 G C 0.026 174.859 174.900 -0.112 0.000 1.369 460 G CA -0.357 44.755 45.100 0.019 0.000 0.937 460 G HN 0.845 nan 8.290 nan 0.000 0.485 461 A N 0.205 122.885 122.820 -0.233 0.000 2.024 461 A HA -0.063 4.261 4.320 0.005 0.000 0.220 461 A C 2.114 179.157 177.584 -0.900 0.000 1.164 461 A CA 1.999 53.727 52.037 -0.515 0.000 0.643 461 A CB -0.217 18.451 19.000 -0.553 0.000 0.806 461 A HN 0.571 nan 8.150 nan 0.000 0.451 462 Q N -0.050 119.334 119.800 -0.693 0.000 2.311 462 Q HA 0.136 4.480 4.340 0.005 0.000 0.203 462 Q C 0.397 176.320 176.000 -0.128 0.000 0.954 462 Q CA 0.723 56.247 55.803 -0.466 0.000 0.885 462 Q CB 0.078 28.710 28.738 -0.177 0.000 0.963 462 Q HN 0.450 nan 8.270 nan 0.000 0.471 463 S N 2.318 117.949 115.700 -0.116 0.000 2.429 463 S HA 0.358 4.832 4.470 0.005 0.000 0.302 463 S C -2.453 172.112 174.600 -0.058 0.000 1.115 463 S CA -1.401 56.771 58.200 -0.048 0.000 1.095 463 S CB 1.028 64.203 63.200 -0.041 0.000 0.987 463 S HN 0.045 nan 8.310 nan 0.000 0.474 464 P HA 0.233 nan 4.420 nan 0.000 0.269 464 P C -0.902 176.366 177.300 -0.052 0.000 1.215 464 P CA -0.198 62.839 63.100 -0.106 0.000 0.780 464 P CB 0.308 31.793 31.700 -0.359 0.000 0.898 465 F N 1.223 121.062 119.950 -0.184 0.000 2.574 465 F HA 0.679 5.209 4.527 0.005 0.000 0.313 465 F C -0.326 175.440 175.800 -0.057 0.000 1.130 465 F CA 0.173 58.100 58.000 -0.121 0.000 0.936 465 F CB 2.096 41.098 39.000 0.004 0.000 1.219 465 F HN 0.628 nan 8.300 nan 0.000 0.445 466 G N 2.226 110.593 108.800 -0.722 0.000 2.356 466 G HA2 0.484 4.448 3.960 0.005 0.000 0.294 466 G HA3 0.484 4.448 3.960 0.005 0.000 0.294 466 G C -1.559 173.084 174.900 -0.429 0.000 1.423 466 G CA -0.232 44.599 45.100 -0.448 0.000 0.806 466 G HN 0.994 nan 8.290 nan 0.000 0.527 467 G N -1.346 107.343 108.800 -0.185 0.000 2.434 467 G HA2 0.600 4.563 3.960 0.005 0.000 0.330 467 G HA3 0.600 4.563 3.960 0.005 0.000 0.330 467 G C -1.128 173.864 174.900 0.154 0.000 1.155 467 G CA -0.432 44.626 45.100 -0.071 0.000 0.917 467 G HN 0.391 nan 8.290 nan 0.000 0.493 468 Y N 0.379 120.614 120.300 -0.108 0.000 2.480 468 Y HA 0.397 4.951 4.550 0.006 0.000 0.323 468 Y C 1.578 177.454 175.900 -0.041 0.000 1.267 468 Y CA -1.205 56.847 58.100 -0.079 0.000 1.336 468 Y CB 1.055 39.464 38.460 -0.085 0.000 1.361 468 Y HN 0.814 nan 8.280 nan 0.000 0.518 469 K N -0.542 119.912 120.400 0.091 0.000 1.824 469 K HA -0.296 4.027 4.320 0.005 0.000 0.120 469 K C 0.783 177.398 176.600 0.024 0.000 1.268 469 K CA 1.857 58.164 56.287 0.033 0.000 0.420 469 K CB -1.068 31.460 32.500 0.047 0.000 0.586 469 K HN 0.498 nan 8.250 nan 0.000 0.907 470 M N 0.872 120.479 119.600 0.011 0.000 2.494 470 M HA 0.053 4.537 4.480 0.005 0.000 0.232 470 M C 1.124 177.485 176.300 0.102 0.000 1.137 470 M CA 0.880 56.178 55.300 -0.002 0.000 1.012 470 M CB 0.079 32.605 32.600 -0.123 0.000 1.567 470 M HN 0.306 nan 8.290 nan 0.000 0.486 471 S N 0.484 116.283 115.700 0.164 0.000 2.603 471 S HA 0.356 4.830 4.470 0.005 0.000 0.220 471 S C 1.038 175.712 174.600 0.123 0.000 0.967 471 S CA 0.439 58.766 58.200 0.211 0.000 0.920 471 S CB 0.197 63.504 63.200 0.177 0.000 0.773 471 S HN 0.730 nan 8.310 nan 0.000 0.529 472 G N 0.708 109.562 108.800 0.092 0.000 2.359 472 G HA2 0.289 4.253 3.960 0.005 0.000 0.303 472 G HA3 0.289 4.253 3.960 0.005 0.000 0.303 472 G C -1.339 173.583 174.900 0.037 0.000 1.293 472 G CA -0.433 44.709 45.100 0.071 0.000 0.964 472 G HN 0.635 nan 8.290 nan 0.000 0.531 473 S N -0.985 114.732 115.700 0.028 0.000 2.720 473 S HA 0.943 5.416 4.470 0.005 0.000 0.278 473 S C 0.102 174.701 174.600 -0.002 0.000 1.172 473 S CA 0.493 58.693 58.200 -0.000 0.000 1.019 473 S CB 1.302 64.497 63.200 -0.009 0.000 1.049 473 S HN 2.953 nan 8.310 nan 0.000 0.483 474 G N 2.243 111.035 108.800 -0.014 0.000 2.459 474 G HA2 0.231 4.194 3.960 0.005 0.000 0.685 474 G HA3 0.231 4.194 3.960 0.005 0.000 0.685 474 G C -1.720 173.175 174.900 -0.009 0.000 1.303 474 G CA -1.269 43.824 45.100 -0.012 0.000 0.907 474 G HN 0.725 nan 8.290 nan 0.000 0.632 475 R N 0.447 120.949 120.500 0.003 0.000 2.670 475 R HA 0.594 4.937 4.340 0.005 0.000 0.289 475 R C -0.113 176.215 176.300 0.047 0.000 0.965 475 R CA -0.656 55.442 56.100 -0.003 0.000 0.899 475 R CB 1.892 32.168 30.300 -0.040 0.000 1.173 475 R HN 0.751 nan 8.270 nan 0.000 0.456 476 E N 2.126 122.354 120.200 0.047 0.000 2.235 476 E HA 0.577 4.931 4.350 0.005 0.000 0.265 476 E C -0.215 176.342 176.600 -0.071 0.000 0.940 476 E CA -0.878 55.532 56.400 0.017 0.000 0.819 476 E CB 1.668 31.378 29.700 0.018 0.000 1.206 476 E HN 0.314 nan 8.360 nan 0.000 0.409 477 L N -0.087 121.115 121.223 -0.036 0.000 0.586 477 L HA -0.265 4.079 4.340 0.005 0.000 0.356 477 L C 0.630 177.602 176.870 0.169 0.000 0.969 477 L CA 0.722 55.570 54.840 0.013 0.000 1.223 477 L CB -1.283 40.592 42.059 -0.306 0.000 0.020 477 L HN 1.006 nan 8.230 nan 0.000 0.091 478 G N 0.157 109.039 108.800 0.137 0.000 2.749 478 G HA2 -0.302 3.662 3.960 0.005 0.000 0.242 478 G HA3 -0.302 3.662 3.960 0.005 0.000 0.242 478 G C 0.431 175.551 174.900 0.365 0.000 1.364 478 G CA 0.903 46.195 45.100 0.321 0.000 0.888 478 G HN 1.146 nan 8.290 nan 0.000 0.566 479 E N -1.030 119.320 120.200 0.251 0.000 2.153 479 E HA -0.140 4.213 4.350 0.005 0.000 0.194 479 E C 2.151 178.586 176.600 -0.274 0.000 0.988 479 E CA 1.856 58.076 56.400 -0.299 0.000 0.811 479 E CB -0.167 29.388 29.700 -0.242 0.000 0.746 479 E HN 0.620 nan 8.360 nan 0.000 0.466 480 Y N -0.297 119.978 120.300 -0.042 0.000 2.274 480 Y HA -0.074 4.479 4.550 0.006 0.000 0.290 480 Y C 2.439 178.311 175.900 -0.048 0.000 1.145 480 Y CA 1.132 59.212 58.100 -0.034 0.000 1.203 480 Y CB -0.731 37.727 38.460 -0.002 0.000 0.984 480 Y HN 0.140 nan 8.280 nan 0.000 0.533 481 G N -0.355 108.540 108.800 0.158 0.000 2.559 481 G HA2 -0.135 3.828 3.960 0.005 0.000 0.216 481 G HA3 -0.135 3.828 3.960 0.005 0.000 0.216 481 G C 1.465 176.381 174.900 0.027 0.000 1.126 481 G CA 0.600 45.773 45.100 0.121 0.000 0.778 481 G HN 0.395 nan 8.290 nan 0.000 0.543 482 L N -0.700 120.420 121.223 -0.172 0.000 2.307 482 L HA 0.040 4.383 4.340 0.005 0.000 0.211 482 L C 2.955 179.657 176.870 -0.281 0.000 1.099 482 L CA 0.407 55.011 54.840 -0.395 0.000 0.816 482 L CB -0.275 41.141 42.059 -1.072 0.000 0.952 482 L HN 0.233 nan 8.230 nan 0.000 0.455 483 Q N 0.453 120.150 119.800 -0.172 0.000 2.124 483 Q HA -0.160 4.183 4.340 0.005 0.000 0.202 483 Q C 2.326 178.279 176.000 -0.077 0.000 0.977 483 Q CA 1.614 57.381 55.803 -0.060 0.000 0.850 483 Q CB -0.281 28.449 28.738 -0.013 0.000 0.901 483 Q HN 0.525 nan 8.270 nan 0.000 0.429 484 A N -0.403 122.348 122.820 -0.116 0.000 2.216 484 A HA -0.102 4.221 4.320 0.005 0.000 0.214 484 A C 0.797 178.116 177.584 -0.442 0.000 1.160 484 A CA 0.805 52.678 52.037 -0.274 0.000 0.725 484 A CB -0.210 18.578 19.000 -0.353 0.000 0.784 484 A HN 0.425 nan 8.150 nan 0.000 0.472 485 Y N -1.000 119.254 120.300 -0.077 0.000 2.557 485 Y HA 0.204 4.757 4.550 0.005 0.000 0.247 485 Y C 0.426 176.306 175.900 -0.032 0.000 1.164 485 Y CA -0.078 57.986 58.100 -0.061 0.000 1.218 485 Y CB 0.738 39.148 38.460 -0.083 0.000 1.210 485 Y HN 0.075 nan 8.280 nan 0.000 0.529 486 T N 0.698 115.285 114.554 0.056 0.000 2.912 486 T HA 0.407 4.760 4.350 0.005 0.000 0.288 486 T C -0.847 173.856 174.700 0.004 0.000 1.030 486 T CA -0.856 61.281 62.100 0.062 0.000 1.020 486 T CB 2.130 71.051 68.868 0.088 0.000 1.056 486 T HN -0.087 nan 8.240 nan 0.000 0.480 487 K N 1.796 122.212 120.400 0.026 0.000 2.376 487 K HA 0.619 4.943 4.320 0.005 0.000 0.257 487 K C -1.247 175.355 176.600 0.004 0.000 0.939 487 K CA -0.629 55.664 56.287 0.009 0.000 0.809 487 K CB 1.394 33.924 32.500 0.051 0.000 1.121 487 K HN 0.323 nan 8.250 nan 0.000 0.425 488 V N 4.441 124.338 119.914 -0.029 0.000 2.432 488 V HA 0.267 4.390 4.120 0.005 0.000 0.275 488 V C -0.076 176.029 176.094 0.018 0.000 1.043 488 V CA -0.512 61.789 62.300 0.003 0.000 0.925 488 V CB 1.127 32.931 31.823 -0.032 0.000 0.985 488 V HN 0.651 nan 8.190 nan 0.000 0.466 489 K N 3.155 123.579 120.400 0.039 0.000 2.244 489 K HA 0.520 4.843 4.320 0.005 0.000 0.260 489 K C -0.573 175.986 176.600 -0.068 0.000 0.951 489 K CA -0.394 55.886 56.287 -0.012 0.000 0.826 489 K CB 1.434 33.932 32.500 -0.002 0.000 1.108 489 K HN 0.712 nan 8.250 nan 0.000 0.433 490 T N 3.010 117.494 114.554 -0.117 0.000 2.767 490 T HA 0.273 4.627 4.350 0.005 0.000 0.288 490 T C -0.571 173.944 174.700 -0.308 0.000 0.963 490 T CA -0.607 61.370 62.100 -0.204 0.000 1.019 490 T CB 1.155 69.926 68.868 -0.161 0.000 0.923 490 T HN 0.281 nan 8.240 nan 0.000 0.468 491 V N 4.099 123.674 119.914 -0.566 0.000 2.384 491 V HA 0.459 4.583 4.120 0.005 0.000 0.287 491 V C 0.211 175.927 176.094 -0.629 0.000 1.020 491 V CA -0.688 61.219 62.300 -0.655 0.000 0.850 491 V CB 1.551 32.779 31.823 -0.992 0.000 0.987 491 V HN 0.951 nan 8.190 nan 0.000 0.436 492 T N 4.671 119.019 114.554 -0.343 0.000 2.815 492 T HA 0.550 4.904 4.350 0.005 0.000 0.289 492 T C -0.392 174.267 174.700 -0.068 0.000 1.000 492 T CA -0.337 61.625 62.100 -0.229 0.000 0.958 492 T CB 1.460 70.182 68.868 -0.243 0.000 0.944 492 T HN 0.340 nan 8.240 nan 0.000 0.442 493 V N 4.130 124.084 119.914 0.067 0.000 2.417 493 V HA 0.431 4.555 4.120 0.005 0.000 0.291 493 V C 0.452 176.752 176.094 0.343 0.000 1.024 493 V CA -1.163 61.254 62.300 0.195 0.000 0.861 493 V CB 1.684 33.660 31.823 0.256 0.000 0.985 493 V HN 0.753 nan 8.190 nan 0.000 0.436 494 K N 4.108 124.703 120.400 0.326 0.000 2.451 494 K HA 0.370 4.693 4.320 0.005 0.000 0.280 494 K C -0.485 176.174 176.600 0.099 0.000 1.020 494 K CA -0.126 56.302 56.287 0.235 0.000 1.008 494 K CB 0.854 33.456 32.500 0.171 0.000 0.917 494 K HN 0.669 nan 8.250 nan 0.000 0.478 495 V N 2.033 121.937 119.914 -0.016 0.000 2.864 495 V HA 0.387 4.510 4.120 0.005 0.000 0.314 495 V C -2.093 173.959 176.094 -0.071 0.000 1.073 495 V CA -1.987 60.308 62.300 -0.008 0.000 0.956 495 V CB 1.308 33.147 31.823 0.027 0.000 1.023 495 V HN 0.683 nan 8.190 nan 0.000 0.435 496 P HA -0.120 nan 4.420 nan 0.000 0.214 496 P C 0.105 177.363 177.300 -0.070 0.000 1.169 496 P CA 1.423 64.492 63.100 -0.051 0.000 0.908 496 P CB 0.145 31.825 31.700 -0.035 0.000 0.791 497 Q N -1.107 118.655 119.800 -0.063 0.000 2.334 497 Q HA 0.147 4.490 4.340 0.005 0.000 0.249 497 Q C -0.955 175.013 176.000 -0.054 0.000 0.909 497 Q CA -0.753 55.011 55.803 -0.065 0.000 0.823 497 Q CB 1.062 29.770 28.738 -0.049 0.000 1.353 497 Q HN -0.204 nan 8.270 nan 0.000 0.433 498 K N 3.909 124.274 120.400 -0.058 0.000 2.416 498 K HA 0.186 4.509 4.320 0.005 0.000 0.283 498 K C -1.140 175.448 176.600 -0.020 0.000 1.037 498 K CA 0.503 56.773 56.287 -0.027 0.000 0.995 498 K CB 0.401 32.893 32.500 -0.013 0.000 0.938 498 K HN 0.693 nan 8.250 nan 0.000 0.475 499 N N 1.486 120.176 118.700 -0.016 0.000 2.265 499 N HA 0.125 4.868 4.740 0.005 0.000 0.300 499 N C -0.551 174.955 175.510 -0.007 0.000 1.148 499 N CA -0.503 52.538 53.050 -0.014 0.000 0.772 499 N CB 1.791 40.264 38.487 -0.023 0.000 1.434 499 N HN 0.677 nan 8.380 nan 0.000 0.481 500 S N 0.000 115.698 115.700 -0.003 0.000 2.498 500 S HA 0.000 4.473 4.470 0.005 0.000 0.327 500 S CA 0.000 58.201 58.200 0.001 0.000 1.107 500 S CB 0.000 63.202 63.200 0.003 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517