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 2nnh_1_B DATA FIRST_RESID 28 DATA SEQUENCE KLPPGPTPLP IIGNMLQIDV KDICKSFTNF SKVYGPVFTV YFGMNPIVVF DATA SEQUENCE HGYEAVKEAL IDNGEEFSGR GNSPISQRIT KGLGIISSNG KRWKEIRRFS DATA SEQUENCE LTTLRNFGMG KRSIEDRVQE EAHCLVEELR KTKASPCDPT FILGCAPCNV DATA SEQUENCE ICSVVFQKRF DYKDQNFLTL MKRFNENFRI LNSPWIQVCN NFPLLIDCFP DATA SEQUENCE GTHNKVLKNV ALTRSYIREK VKEHQASLDV NNPRDFIDCF LIKMEQEKDN DATA SEQUENCE QKSEFNIENL VGTVADLFVA GTETTSTTLR YGLLLLLKHP EVTAKVQEEI DATA SEQUENCE DHVIGRHRSP CMQDRSHMPY TDAVVHEIQR YSDLVPTGVP HAVTTDTKFR DATA SEQUENCE NYLIPKGTTI MALLTSVLHD DKEFPNPNIF DPGHFLDKNG NFKKSDYFMP DATA SEQUENCE FSAGKRICAG EGLARMELFL FLTTILQNFN LKSVDDLKNL NTTAVTKGIV DATA SEQUENCE SLPPSYQICF IPV 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.711 176.600 0.186 0.000 0.988 28 K CA 0.000 56.361 56.287 0.124 0.000 0.838 28 K CB 0.000 32.574 32.500 0.124 0.000 1.064 29 L N 3.609 124.899 121.223 0.112 0.000 2.466 29 L HA 0.488 4.828 4.340 0.001 0.000 0.257 29 L C -1.809 175.046 176.870 -0.025 0.000 1.189 29 L CA -2.013 52.843 54.840 0.025 0.000 0.813 29 L CB 0.553 42.579 42.059 -0.056 0.000 1.118 29 L HN 0.576 nan 8.230 nan 0.000 0.471 30 P HA 0.137 nan 4.420 nan 0.000 0.271 30 P C -2.411 174.725 177.300 -0.273 0.000 1.216 30 P CA -0.813 61.846 63.100 -0.735 0.000 0.776 30 P CB 0.202 31.320 31.700 -0.969 0.000 0.881 31 P HA 0.304 nan 4.420 nan 0.000 0.272 31 P C 0.179 177.369 177.300 -0.182 0.000 1.248 31 P CA 0.341 63.426 63.100 -0.025 0.000 0.799 31 P CB 0.376 32.153 31.700 0.127 0.000 0.997 32 G N -1.584 106.985 108.800 -0.385 0.000 2.320 32 G HA2 0.383 4.343 3.960 0.001 0.000 0.296 32 G HA3 0.383 4.343 3.960 0.001 0.000 0.296 32 G C -3.295 170.961 174.900 -1.075 0.000 1.306 32 G CA -0.786 43.685 45.100 -1.048 0.000 0.836 32 G HN 0.197 nan 8.290 nan 0.000 0.517 33 P HA 0.239 nan 4.420 nan 0.000 0.265 33 P C 0.131 177.308 177.300 -0.205 0.000 1.187 33 P CA 0.274 63.067 63.100 -0.512 0.000 0.766 33 P CB 0.311 31.670 31.700 -0.568 0.000 0.820 34 T N 5.562 120.077 114.554 -0.066 0.000 2.751 34 T HA 0.213 4.563 4.350 0.001 0.000 0.290 34 T C -1.958 172.720 174.700 -0.036 0.000 0.919 34 T CA -0.984 61.093 62.100 -0.039 0.000 1.136 34 T CB -0.432 68.433 68.868 -0.004 0.000 0.875 34 T HN 0.356 nan 8.240 nan 0.000 0.532 35 P HA 0.287 nan 4.420 nan 0.000 0.280 35 P C -0.499 176.762 177.300 -0.065 0.000 1.244 35 P CA -0.712 62.350 63.100 -0.064 0.000 0.784 35 P CB 0.797 32.378 31.700 -0.198 0.000 0.913 36 L N 6.517 127.729 121.223 -0.019 0.000 2.472 36 L HA 0.195 4.535 4.340 0.001 0.000 0.260 36 L C -0.851 175.998 176.870 -0.034 0.000 1.209 36 L CA -1.528 53.301 54.840 -0.019 0.000 0.817 36 L CB -1.066 40.995 42.059 0.002 0.000 1.106 36 L HN 0.319 nan 8.230 nan 0.000 0.479 37 P HA -0.255 nan 4.420 nan 0.000 0.221 37 P C 1.279 178.565 177.300 -0.023 0.000 1.160 37 P CA 1.730 64.809 63.100 -0.036 0.000 0.933 37 P CB 0.224 31.908 31.700 -0.028 0.000 0.793 38 I N -2.572 117.991 120.570 -0.011 0.000 3.971 38 I HA 0.037 4.207 4.170 0.001 0.000 0.303 38 I C 1.356 177.512 176.117 0.065 0.000 1.233 38 I CA 0.177 61.481 61.300 0.008 0.000 1.346 38 I CB -0.079 37.900 38.000 -0.035 0.000 1.273 38 I HN -0.152 nan 8.210 nan 0.000 0.448 39 I N -0.645 119.956 120.570 0.051 0.000 3.812 39 I HA 0.395 4.565 4.170 0.001 0.000 0.319 39 I C 1.284 177.543 176.117 0.237 0.000 1.353 39 I CA 0.480 61.884 61.300 0.173 0.000 1.170 39 I CB -1.886 36.152 38.000 0.064 0.000 1.057 39 I HN 0.282 nan 8.210 nan 0.000 0.411 40 G N 3.758 112.660 108.800 0.170 0.000 2.702 40 G HA2 -0.441 3.519 3.960 0.001 0.000 0.342 40 G HA3 -0.441 3.519 3.960 0.001 0.000 0.342 40 G C 0.503 175.502 174.900 0.165 0.000 1.258 40 G CA 1.139 46.340 45.100 0.168 0.000 0.990 40 G HN 0.565 nan 8.290 nan 0.000 0.548 41 N N 0.404 119.252 118.700 0.248 0.000 2.214 41 N HA 0.316 5.057 4.740 0.001 0.000 0.214 41 N C 2.050 177.669 175.510 0.181 0.000 1.132 41 N CA 0.044 53.226 53.050 0.220 0.000 0.856 41 N CB 0.248 38.900 38.487 0.275 0.000 1.020 41 N HN 0.306 nan 8.380 nan 0.000 0.509 42 M N 0.374 120.049 119.600 0.125 0.000 2.089 42 M HA -0.162 4.319 4.480 0.001 0.000 0.257 42 M C 1.544 177.848 176.300 0.007 0.000 1.071 42 M CA 1.606 56.909 55.300 0.004 0.000 1.096 42 M CB -0.860 31.805 32.600 0.107 0.000 1.330 42 M HN 0.292 nan 8.290 nan 0.000 0.403 43 L N -0.932 120.317 121.223 0.043 0.000 2.291 43 L HA -0.184 4.156 4.340 0.001 0.000 0.214 43 L C 2.063 178.959 176.870 0.043 0.000 1.120 43 L CA 0.737 55.591 54.840 0.023 0.000 0.799 43 L CB -0.542 41.531 42.059 0.023 0.000 0.925 43 L HN 0.403 nan 8.230 nan 0.000 0.446 44 Q N 0.134 119.994 119.800 0.100 0.000 2.444 44 Q HA 0.099 4.439 4.340 0.001 0.000 0.206 44 Q C 0.718 176.818 176.000 0.166 0.000 0.948 44 Q CA 0.361 56.263 55.803 0.165 0.000 0.946 44 Q CB 0.225 29.117 28.738 0.257 0.000 1.027 44 Q HN 0.644 nan 8.270 nan 0.000 0.513 45 I N -3.997 116.616 120.570 0.072 0.000 4.120 45 I HA 0.590 4.761 4.170 0.001 0.000 0.239 45 I C -0.987 175.060 176.117 -0.117 0.000 1.195 45 I CA -1.147 60.131 61.300 -0.036 0.000 1.348 45 I CB 1.673 39.669 38.000 -0.005 0.000 1.409 45 I HN -0.313 nan 8.210 nan 0.000 0.474 46 D N 0.316 120.610 120.400 -0.177 0.000 2.319 46 D HA 0.253 4.893 4.640 0.001 0.000 0.237 46 D C 0.567 176.740 176.300 -0.213 0.000 1.353 46 D CA -0.383 53.509 54.000 -0.179 0.000 0.992 46 D CB 1.494 42.196 40.800 -0.163 0.000 1.368 46 D HN 0.582 nan 8.370 nan 0.000 0.564 47 V N 1.814 121.590 119.914 -0.231 0.000 2.636 47 V HA -0.232 3.888 4.120 0.001 0.000 0.258 47 V C 1.869 177.837 176.094 -0.210 0.000 1.092 47 V CA 1.117 63.267 62.300 -0.250 0.000 1.110 47 V CB -0.669 30.974 31.823 -0.299 0.000 0.685 47 V HN 0.344 nan 8.190 nan 0.000 0.481 48 K N 0.524 120.814 120.400 -0.183 0.000 1.980 48 K HA -0.015 4.306 4.320 0.001 0.000 0.208 48 K C 1.171 177.691 176.600 -0.134 0.000 1.043 48 K CA 1.474 57.673 56.287 -0.145 0.000 0.938 48 K CB -0.503 31.924 32.500 -0.121 0.000 0.724 48 K HN 0.498 nan 8.250 nan 0.000 0.438 49 D N 1.067 121.381 120.400 -0.143 0.000 2.970 49 D HA 0.063 4.703 4.640 0.001 0.000 0.282 49 D C 0.942 177.121 176.300 -0.202 0.000 1.291 49 D CA -0.221 53.694 54.000 -0.141 0.000 0.967 49 D CB 0.061 40.791 40.800 -0.117 0.000 1.017 49 D HN -0.069 nan 8.370 nan 0.000 0.512 50 I N 0.467 120.891 120.570 -0.244 0.000 2.399 50 I HA -0.284 3.887 4.170 0.001 0.000 0.254 50 I C 1.978 177.771 176.117 -0.540 0.000 1.146 50 I CA 1.366 62.423 61.300 -0.405 0.000 1.412 50 I CB -0.009 37.773 38.000 -0.363 0.000 1.076 50 I HN 0.287 nan 8.210 nan 0.000 0.432 51 C N 0.114 119.246 119.300 -0.280 0.000 2.450 51 C HA -0.090 4.370 4.460 0.001 0.000 0.279 51 C C 2.751 177.703 174.990 -0.064 0.000 1.335 51 C CA 0.907 59.853 59.018 -0.121 0.000 1.749 51 C CB -1.019 26.704 27.740 -0.029 0.000 1.963 51 C HN 0.536 nan 8.230 nan 0.000 0.501 52 K N 0.583 120.910 120.400 -0.121 0.000 2.097 52 K HA -0.110 4.210 4.320 0.001 0.000 0.205 52 K C 2.050 178.555 176.600 -0.159 0.000 1.050 52 K CA 1.598 57.823 56.287 -0.104 0.000 0.938 52 K CB -0.098 32.334 32.500 -0.114 0.000 0.718 52 K HN 0.395 nan 8.250 nan 0.000 0.442 53 S N 0.723 116.265 115.700 -0.262 0.000 2.348 53 S HA -0.108 4.362 4.470 0.001 0.000 0.221 53 S C 1.673 176.061 174.600 -0.354 0.000 1.033 53 S CA 1.224 59.149 58.200 -0.458 0.000 1.010 53 S CB -0.371 62.540 63.200 -0.482 0.000 0.891 53 S HN 0.235 nan 8.310 nan 0.000 0.442 54 F N 2.139 122.025 119.950 -0.106 0.000 2.095 54 F HA -0.093 4.434 4.527 0.001 0.000 0.298 54 F C 2.874 178.751 175.800 0.129 0.000 1.104 54 F CA 0.796 58.930 58.000 0.223 0.000 1.232 54 F CB -1.862 37.338 39.000 0.333 0.000 0.987 54 F HN 0.158 nan 8.300 nan 0.000 0.475 55 T N 0.060 114.759 114.554 0.241 0.000 2.720 55 T HA -0.208 4.142 4.350 0.001 0.000 0.268 55 T C 1.786 176.462 174.700 -0.039 0.000 1.037 55 T CA 1.781 63.939 62.100 0.097 0.000 1.144 55 T CB -0.550 68.388 68.868 0.116 0.000 0.864 55 T HN 0.347 nan 8.240 nan 0.000 0.444 56 N N 0.041 118.698 118.700 -0.071 0.000 2.120 56 N HA -0.012 4.729 4.740 0.001 0.000 0.188 56 N C 1.732 177.218 175.510 -0.041 0.000 1.024 56 N CA 0.966 53.958 53.050 -0.096 0.000 0.852 56 N CB -0.269 38.119 38.487 -0.164 0.000 1.003 56 N HN 0.354 nan 8.380 nan 0.000 0.424 57 F N 1.514 121.386 119.950 -0.131 0.000 2.091 57 F HA -0.246 4.282 4.527 0.001 0.000 0.299 57 F C 2.913 178.426 175.800 -0.479 0.000 1.103 57 F CA 0.890 58.703 58.000 -0.311 0.000 1.228 57 F CB -0.323 38.308 39.000 -0.615 0.000 0.984 57 F HN 0.164 nan 8.300 nan 0.000 0.477 58 S N 0.084 115.592 115.700 -0.320 0.000 2.465 58 S HA -0.189 4.281 4.470 0.001 0.000 0.241 58 S C 1.347 175.856 174.600 -0.151 0.000 1.000 58 S CA 0.951 58.994 58.200 -0.262 0.000 0.964 58 S CB -0.535 62.416 63.200 -0.416 0.000 0.763 58 S HN 0.413 nan 8.310 nan 0.000 0.512 59 K N 0.264 120.591 120.400 -0.122 0.000 2.487 59 K HA 0.258 4.578 4.320 0.001 0.000 0.192 59 K C 0.957 177.493 176.600 -0.107 0.000 1.027 59 K CA 0.332 56.572 56.287 -0.079 0.000 1.054 59 K CB 0.271 32.739 32.500 -0.054 0.000 0.824 59 K HN 0.310 nan 8.250 nan 0.000 0.510 60 V N -1.094 118.718 119.914 -0.169 0.000 3.058 60 V HA -0.022 4.099 4.120 0.001 0.000 0.233 60 V C 0.799 176.589 176.094 -0.507 0.000 1.255 60 V CA 0.506 62.587 62.300 -0.366 0.000 1.267 60 V CB 0.023 31.530 31.823 -0.526 0.000 1.049 60 V HN 0.125 nan 8.190 nan 0.000 0.486 61 Y N 1.130 121.335 120.300 -0.157 0.000 2.457 61 Y HA 0.587 5.137 4.550 0.001 0.000 0.263 61 Y C 1.334 177.227 175.900 -0.011 0.000 1.164 61 Y CA 0.478 58.512 58.100 -0.110 0.000 1.274 61 Y CB 0.387 38.726 38.460 -0.202 0.000 1.097 61 Y HN 0.371 nan 8.280 nan 0.000 0.523 62 G N 0.357 109.214 108.800 0.094 0.000 2.582 62 G HA2 -0.214 3.747 3.960 0.001 0.000 0.222 62 G HA3 -0.214 3.747 3.960 0.001 0.000 0.222 62 G C -2.155 172.888 174.900 0.238 0.000 1.311 62 G CA -0.570 44.620 45.100 0.150 0.000 0.915 62 G HN 0.020 nan 8.290 nan 0.000 0.528 63 P HA 0.113 nan 4.420 nan 0.000 0.215 63 P C 0.691 178.140 177.300 0.249 0.000 1.157 63 P CA 1.647 64.928 63.100 0.301 0.000 0.863 63 P CB 0.062 31.929 31.700 0.279 0.000 0.787 64 V N 0.370 120.380 119.914 0.160 0.000 2.495 64 V HA 0.558 4.678 4.120 0.001 0.000 0.298 64 V C -0.343 175.665 176.094 -0.143 0.000 1.031 64 V CA -0.695 61.502 62.300 -0.172 0.000 0.871 64 V CB 0.930 32.657 31.823 -0.160 0.000 0.988 64 V HN 0.043 nan 8.190 nan 0.000 0.432 65 F N 0.844 120.521 119.950 -0.455 0.000 2.713 65 F HA 0.860 5.387 4.527 0.001 0.000 0.311 65 F C -0.582 174.888 175.800 -0.549 0.000 1.141 65 F CA -0.774 56.960 58.000 -0.445 0.000 0.939 65 F CB 1.608 40.419 39.000 -0.316 0.000 1.325 65 F HN 0.293 nan 8.300 nan 0.000 0.453 66 T N 2.052 116.412 114.554 -0.323 0.000 2.856 66 T HA 0.714 5.065 4.350 0.001 0.000 0.283 66 T C -0.815 173.707 174.700 -0.297 0.000 1.008 66 T CA -0.590 61.252 62.100 -0.431 0.000 0.997 66 T CB 1.689 70.314 68.868 -0.405 0.000 0.992 66 T HN 1.176 nan 8.240 nan 0.000 0.454 67 V N 0.144 119.856 119.914 -0.337 0.000 2.925 67 V HA 0.738 4.858 4.120 0.001 0.000 0.311 67 V C -2.073 173.943 176.094 -0.130 0.000 1.104 67 V CA -1.209 61.038 62.300 -0.088 0.000 0.954 67 V CB 1.589 33.508 31.823 0.160 0.000 1.022 67 V HN 0.796 nan 8.190 nan 0.000 0.427 68 Y N 2.630 122.991 120.300 0.100 0.000 2.328 68 Y HA 0.618 5.169 4.550 0.001 0.000 0.337 68 Y C -0.150 175.988 175.900 0.396 0.000 0.966 68 Y CA -1.058 57.131 58.100 0.148 0.000 1.136 68 Y CB 1.874 40.384 38.460 0.084 0.000 1.170 68 Y HN 0.646 nan 8.280 nan 0.000 0.470 69 F N 3.509 123.529 119.950 0.117 0.000 2.351 69 F HA 0.407 4.934 4.527 0.000 0.000 0.362 69 F C 1.126 176.946 175.800 0.032 0.000 1.131 69 F CA -0.137 57.886 58.000 0.037 0.000 1.187 69 F CB 0.197 39.154 39.000 -0.072 0.000 1.434 69 F HN 0.900 nan 8.300 nan 0.000 0.553 70 G N 2.862 111.883 108.800 0.368 0.000 2.536 70 G HA2 -0.377 3.584 3.960 0.001 0.000 0.277 70 G HA3 -0.377 3.584 3.960 0.001 0.000 0.277 70 G C 0.380 175.489 174.900 0.348 0.000 1.155 70 G CA 0.165 45.571 45.100 0.510 0.000 0.960 70 G HN 0.419 nan 8.290 nan 0.000 0.544 71 M N 2.402 122.176 119.600 0.290 0.000 2.428 71 M HA 0.335 4.815 4.480 0.001 0.000 0.239 71 M C 0.415 176.875 176.300 0.266 0.000 1.121 71 M CA 0.031 55.471 55.300 0.234 0.000 1.019 71 M CB -0.205 32.493 32.600 0.163 0.000 1.485 71 M HN 0.418 nan 8.290 nan 0.000 0.484 72 N N 1.725 120.556 118.700 0.220 0.000 2.426 72 N HA 0.297 5.037 4.740 0.001 0.000 0.257 72 N C -2.650 172.836 175.510 -0.039 0.000 1.002 72 N CA -1.408 51.697 53.050 0.091 0.000 0.942 72 N CB 0.586 39.085 38.487 0.020 0.000 1.112 72 N HN 0.049 nan 8.380 nan 0.000 0.499 73 P HA 0.214 nan 4.420 nan 0.000 0.281 73 P C -0.745 176.232 177.300 -0.539 0.000 1.252 73 P CA 0.006 62.638 63.100 -0.779 0.000 0.778 73 P CB 1.037 32.300 31.700 -0.727 0.000 0.895 74 I N 3.628 123.834 120.570 -0.608 0.000 2.447 74 I HA 0.252 4.422 4.170 0.001 0.000 0.287 74 I C 0.228 175.974 176.117 -0.617 0.000 1.023 74 I CA -1.237 59.734 61.300 -0.548 0.000 1.083 74 I CB 2.515 40.138 38.000 -0.629 0.000 1.245 74 I HN 0.100 nan 8.210 nan 0.000 0.434 75 V N 8.029 127.587 119.914 -0.592 0.000 2.383 75 V HA 0.459 4.580 4.120 0.001 0.000 0.275 75 V C -0.369 175.144 176.094 -0.970 0.000 1.036 75 V CA -0.200 61.635 62.300 -0.775 0.000 0.889 75 V CB 1.579 32.987 31.823 -0.692 0.000 0.985 75 V HN 0.440 nan 8.190 nan 0.000 0.459 76 V N 8.007 127.153 119.914 -1.280 0.000 2.383 76 V HA 0.441 4.561 4.120 0.001 0.000 0.275 76 V C -0.254 175.116 176.094 -1.207 0.000 1.036 76 V CA -0.227 61.296 62.300 -1.296 0.000 0.889 76 V CB 0.786 31.528 31.823 -1.801 0.000 0.985 76 V HN 0.772 nan 8.190 nan 0.000 0.459 77 F N 4.247 123.904 119.950 -0.489 0.000 2.385 77 F HA 0.420 4.947 4.527 0.001 0.000 0.360 77 F C 0.422 176.142 175.800 -0.134 0.000 1.122 77 F CA -0.282 57.524 58.000 -0.324 0.000 1.090 77 F CB 0.647 39.430 39.000 -0.362 0.000 1.150 77 F HN 0.516 nan 8.300 nan 0.000 0.472 78 H N 2.769 121.866 119.070 0.045 0.000 2.539 78 H HA 0.627 5.183 4.556 0.001 0.000 0.332 78 H C -0.026 175.389 175.328 0.144 0.000 1.031 78 H CA -0.002 56.119 56.048 0.121 0.000 1.206 78 H CB 1.336 31.230 29.762 0.219 0.000 1.446 78 H HN 0.813 nan 8.280 nan 0.000 0.496 79 G N 3.744 112.390 108.800 -0.256 0.000 2.587 79 G HA2 -0.273 3.688 3.960 0.001 0.000 0.686 79 G HA3 -0.273 3.688 3.960 0.001 0.000 0.686 79 G C -0.294 174.598 174.900 -0.014 0.000 1.236 79 G CA -0.057 44.995 45.100 -0.080 0.000 0.820 79 G HN 0.606 nan 8.290 nan 0.000 0.645 80 Y N 0.775 121.000 120.300 -0.125 0.000 2.181 80 Y HA -0.097 4.453 4.550 0.000 0.000 0.288 80 Y C 2.742 178.547 175.900 -0.158 0.000 1.146 80 Y CA 2.809 60.747 58.100 -0.271 0.000 1.164 80 Y CB 0.058 38.151 38.460 -0.612 0.000 0.982 80 Y HN 0.632 nan 8.280 nan 0.000 0.515 81 E N 0.478 120.622 120.200 -0.094 0.000 2.033 81 E HA -0.275 4.075 4.350 0.001 0.000 0.199 81 E C 2.461 178.993 176.600 -0.114 0.000 1.011 81 E CA 1.453 57.788 56.400 -0.110 0.000 0.815 81 E CB -1.137 28.594 29.700 0.052 0.000 0.755 81 E HN 0.544 nan 8.360 nan 0.000 0.451 82 A N 1.241 124.074 122.820 0.021 0.000 1.858 82 A HA -0.146 4.174 4.320 0.001 0.000 0.216 82 A C 2.718 180.200 177.584 -0.170 0.000 1.190 82 A CA 1.826 53.928 52.037 0.108 0.000 0.617 82 A CB -0.894 18.274 19.000 0.281 0.000 0.827 82 A HN 0.130 nan 8.150 nan 0.000 0.443 83 V N 0.487 120.281 119.914 -0.199 0.000 2.255 83 V HA -0.327 3.793 4.120 0.001 0.000 0.247 83 V C 2.588 178.446 176.094 -0.393 0.000 1.051 83 V CA 2.565 64.686 62.300 -0.298 0.000 1.018 83 V CB -0.738 30.967 31.823 -0.197 0.000 0.641 83 V HN 0.720 nan 8.190 nan 0.000 0.445 84 K N 0.099 120.217 120.400 -0.469 0.000 2.032 84 K HA -0.297 4.024 4.320 0.001 0.000 0.209 84 K C 2.241 178.628 176.600 -0.355 0.000 1.048 84 K CA 2.304 58.302 56.287 -0.481 0.000 0.927 84 K CB -0.262 31.756 32.500 -0.802 0.000 0.712 84 K HN 0.569 nan 8.250 nan 0.000 0.441 85 E N -0.574 119.442 120.200 -0.306 0.000 2.209 85 E HA -0.201 4.150 4.350 0.001 0.000 0.196 85 E C 1.509 177.954 176.600 -0.258 0.000 0.993 85 E CA 1.092 57.364 56.400 -0.213 0.000 0.819 85 E CB -0.015 29.620 29.700 -0.108 0.000 0.745 85 E HN 0.471 nan 8.360 nan 0.000 0.477 86 A N 0.329 122.813 122.820 -0.559 0.000 1.862 86 A HA 0.045 4.365 4.320 0.001 0.000 0.211 86 A C 2.072 179.130 177.584 -0.878 0.000 1.220 86 A CA 0.412 51.692 52.037 -1.263 0.000 0.616 86 A CB -0.430 17.319 19.000 -2.085 0.000 0.878 86 A HN 0.235 nan 8.150 nan 0.000 0.453 87 L N -0.661 120.252 121.223 -0.517 0.000 2.156 87 L HA -0.049 4.292 4.340 0.001 0.000 0.208 87 L C 2.293 179.088 176.870 -0.124 0.000 1.095 87 L CA 0.965 55.673 54.840 -0.220 0.000 0.770 87 L CB -0.414 41.559 42.059 -0.144 0.000 0.914 87 L HN 0.371 nan 8.230 nan 0.000 0.439 88 I N -0.679 119.789 120.570 -0.170 0.000 2.834 88 I HA -0.094 4.077 4.170 0.001 0.000 0.239 88 I C 0.833 176.897 176.117 -0.088 0.000 1.073 88 I CA 0.494 61.735 61.300 -0.098 0.000 1.459 88 I CB 0.016 37.954 38.000 -0.103 0.000 1.288 88 I HN 0.087 nan 8.210 nan 0.000 0.455 89 D N 2.454 122.777 120.400 -0.129 0.000 2.644 89 D HA 0.016 4.657 4.640 0.001 0.000 0.252 89 D C -0.024 176.226 176.300 -0.083 0.000 1.254 89 D CA 0.560 54.500 54.000 -0.100 0.000 0.884 89 D CB -0.346 40.379 40.800 -0.125 0.000 1.034 89 D HN 0.358 nan 8.370 nan 0.000 0.473 90 N N -1.500 117.168 118.700 -0.053 0.000 2.183 90 N HA -0.046 4.694 4.740 0.001 0.000 0.214 90 N C 1.586 177.180 175.510 0.139 0.000 1.441 90 N CA 0.162 53.241 53.050 0.050 0.000 1.255 90 N CB -0.054 38.455 38.487 0.038 0.000 1.072 90 N HN 0.192 nan 8.380 nan 0.000 0.650 91 G N 1.398 110.242 108.800 0.074 0.000 2.596 91 G HA2 -0.349 3.612 3.960 0.001 0.000 0.223 91 G HA3 -0.349 3.612 3.960 0.001 0.000 0.223 91 G C 1.368 176.383 174.900 0.191 0.000 1.120 91 G CA 1.731 46.910 45.100 0.131 0.000 0.752 91 G HN 0.339 nan 8.290 nan 0.000 0.596 92 E N 0.596 120.896 120.200 0.167 0.000 2.106 92 E HA -0.048 4.303 4.350 0.001 0.000 0.192 92 E C 2.435 179.127 176.600 0.154 0.000 0.984 92 E CA 1.425 57.921 56.400 0.160 0.000 0.806 92 E CB -0.168 29.605 29.700 0.121 0.000 0.750 92 E HN 0.477 nan 8.360 nan 0.000 0.458 93 E N -0.715 119.600 120.200 0.192 0.000 2.072 93 E HA -0.055 4.295 4.350 0.001 0.000 0.190 93 E C 0.947 177.580 176.600 0.056 0.000 0.982 93 E CA 0.825 57.300 56.400 0.124 0.000 0.803 93 E CB -0.236 29.565 29.700 0.167 0.000 0.755 93 E HN 0.277 nan 8.360 nan 0.000 0.453 94 F N 0.353 120.324 119.950 0.036 0.000 2.663 94 F HA 0.153 4.681 4.527 0.000 0.000 0.299 94 F C 1.214 177.065 175.800 0.084 0.000 1.143 94 F CA 0.031 58.062 58.000 0.053 0.000 1.387 94 F CB -0.034 38.979 39.000 0.022 0.000 1.019 94 F HN -0.073 nan 8.300 nan 0.000 0.523 95 S N -1.531 114.230 115.700 0.101 0.000 2.568 95 S HA 0.367 4.838 4.470 0.001 0.000 0.232 95 S C 0.896 175.224 174.600 -0.454 0.000 0.975 95 S CA -0.269 57.849 58.200 -0.135 0.000 0.949 95 S CB -0.257 62.983 63.200 0.066 0.000 0.829 95 S HN 0.149 nan 8.310 nan 0.000 0.479 96 G N 1.076 109.688 108.800 -0.313 0.000 2.448 96 G HA2 0.584 4.544 3.960 0.001 0.000 0.285 96 G HA3 0.584 4.544 3.960 0.001 0.000 0.285 96 G C -0.665 174.012 174.900 -0.372 0.000 1.176 96 G CA -0.866 44.023 45.100 -0.352 0.000 0.852 96 G HN 0.347 nan 8.290 nan 0.000 0.530 97 R N 0.193 120.476 120.500 -0.361 0.000 2.407 97 R HA 0.520 4.861 4.340 0.001 0.000 0.303 97 R C 1.354 177.559 176.300 -0.158 0.000 0.981 97 R CA 0.094 56.035 56.100 -0.265 0.000 0.905 97 R CB 1.302 31.430 30.300 -0.287 0.000 1.099 97 R HN 0.475 nan 8.270 nan 0.000 0.459 98 G N 1.924 110.660 108.800 -0.106 0.000 2.464 98 G HA2 -0.151 3.809 3.960 0.001 0.000 0.217 98 G HA3 -0.151 3.809 3.960 0.001 0.000 0.217 98 G C -0.129 174.734 174.900 -0.061 0.000 1.138 98 G CA 0.480 45.533 45.100 -0.080 0.000 0.793 98 G HN 0.842 nan 8.290 nan 0.000 0.539 99 N N -0.349 118.320 118.700 -0.053 0.000 2.531 99 N HA -0.176 4.564 4.740 0.001 0.000 0.279 99 N C 0.186 175.683 175.510 -0.022 0.000 1.267 99 N CA 0.623 53.653 53.050 -0.034 0.000 0.663 99 N CB -1.238 37.230 38.487 -0.032 0.000 0.886 99 N HN 0.538 nan 8.380 nan 0.000 0.544 100 S N 2.085 117.775 115.700 -0.017 0.000 2.693 100 S HA 0.658 5.128 4.470 0.001 0.000 0.276 100 S C -1.382 173.218 174.600 -0.000 0.000 1.192 100 S CA -0.886 57.309 58.200 -0.009 0.000 0.994 100 S CB 1.698 64.892 63.200 -0.009 0.000 1.012 100 S HN 0.158 nan 8.310 nan 0.000 0.550 101 P HA -0.123 nan 4.420 nan 0.000 0.213 101 P C 1.532 178.835 177.300 0.004 0.000 1.170 101 P CA 1.037 64.148 63.100 0.018 0.000 0.902 101 P CB -0.131 31.591 31.700 0.035 0.000 0.789 102 I N -0.704 119.861 120.570 -0.008 0.000 2.208 102 I HA -0.208 3.962 4.170 0.001 0.000 0.245 102 I C 2.400 178.500 176.117 -0.027 0.000 1.097 102 I CA 1.905 63.184 61.300 -0.036 0.000 1.363 102 I CB -2.039 35.937 38.000 -0.040 0.000 1.051 102 I HN 0.059 nan 8.210 nan 0.000 0.413 103 S N 0.056 115.748 115.700 -0.013 0.000 2.368 103 S HA -0.213 4.257 4.470 0.001 0.000 0.225 103 S C 1.989 176.588 174.600 -0.001 0.000 1.030 103 S CA 1.269 59.465 58.200 -0.006 0.000 0.999 103 S CB -0.057 63.138 63.200 -0.007 0.000 0.844 103 S HN 0.395 nan 8.310 nan 0.000 0.459 104 Q N 0.860 120.660 119.800 0.000 0.000 2.119 104 Q HA 0.049 4.390 4.340 0.001 0.000 0.201 104 Q C 2.265 178.273 176.000 0.012 0.000 0.972 104 Q CA 1.199 57.007 55.803 0.008 0.000 0.847 104 Q CB -0.293 28.452 28.738 0.011 0.000 0.903 104 Q HN 0.620 nan 8.270 nan 0.000 0.433 105 R N -0.550 119.954 120.500 0.007 0.000 2.189 105 R HA 0.001 4.341 4.340 0.001 0.000 0.218 105 R C 1.863 178.167 176.300 0.007 0.000 1.074 105 R CA 0.533 56.641 56.100 0.013 0.000 0.991 105 R CB 0.162 30.462 30.300 0.001 0.000 0.883 105 R HN 0.188 nan 8.270 nan 0.000 0.457 106 I N 0.065 120.634 120.570 -0.001 0.000 2.834 106 I HA -0.100 4.070 4.170 0.001 0.000 0.239 106 I C 2.588 178.720 176.117 0.025 0.000 1.073 106 I CA 1.586 62.889 61.300 0.006 0.000 1.459 106 I CB -1.449 36.552 38.000 0.001 0.000 1.288 106 I HN 0.153 nan 8.210 nan 0.000 0.455 107 T N -1.367 113.204 114.554 0.028 0.000 2.896 107 T HA -0.061 4.289 4.350 0.001 0.000 0.263 107 T C 1.029 175.748 174.700 0.032 0.000 1.050 107 T CA 0.568 62.691 62.100 0.038 0.000 1.140 107 T CB -0.188 68.703 68.868 0.038 0.000 0.877 107 T HN 0.266 nan 8.240 nan 0.000 0.457 108 K N 0.811 121.225 120.400 0.023 0.000 3.117 108 K HA -0.161 4.160 4.320 0.001 0.000 0.269 108 K C 1.015 177.627 176.600 0.020 0.000 1.098 108 K CA 0.196 56.496 56.287 0.021 0.000 0.785 108 K CB -2.001 30.514 32.500 0.025 0.000 1.242 108 K HN 0.850 nan 8.250 nan 0.000 0.491 109 G N -0.365 108.445 108.800 0.016 0.000 2.196 109 G HA2 -0.353 3.607 3.960 0.001 0.000 0.268 109 G HA3 -0.353 3.607 3.960 0.001 0.000 0.268 109 G C 0.388 175.304 174.900 0.027 0.000 0.975 109 G CA 0.920 46.029 45.100 0.014 0.000 0.648 109 G HN 0.283 nan 8.290 nan 0.000 0.538 110 L N -0.173 121.069 121.223 0.033 0.000 2.482 110 L HA 0.548 4.889 4.340 0.001 0.000 0.242 110 L C 1.885 178.788 176.870 0.055 0.000 1.210 110 L CA 0.476 55.340 54.840 0.040 0.000 0.819 110 L CB -0.127 41.954 42.059 0.037 0.000 1.203 110 L HN 1.082 nan 8.230 nan 0.000 0.495 111 G N 0.122 108.957 108.800 0.060 0.000 2.552 111 G HA2 -0.335 3.625 3.960 0.001 0.000 0.265 111 G HA3 -0.335 3.625 3.960 0.001 0.000 0.265 111 G C 0.197 175.175 174.900 0.129 0.000 1.234 111 G CA 0.528 45.678 45.100 0.083 0.000 0.944 111 G HN 0.850 nan 8.290 nan 0.000 0.568 112 I N -0.597 120.066 120.570 0.155 0.000 3.971 112 I HA 0.302 4.473 4.170 0.001 0.000 0.303 112 I C 2.463 178.712 176.117 0.220 0.000 1.233 112 I CA 0.445 61.891 61.300 0.243 0.000 1.346 112 I CB -0.045 38.109 38.000 0.255 0.000 1.273 112 I HN 0.567 nan 8.210 nan 0.000 0.448 113 I N 1.826 122.475 120.570 0.131 0.000 2.127 113 I HA -0.269 3.902 4.170 0.001 0.000 0.241 113 I C 2.261 178.374 176.117 -0.005 0.000 1.075 113 I CA 2.157 63.503 61.300 0.076 0.000 1.334 113 I CB -0.370 37.673 38.000 0.072 0.000 1.040 113 I HN 0.394 nan 8.210 nan 0.000 0.405 114 S N -0.449 115.251 115.700 0.001 0.000 2.540 114 S HA 0.139 4.609 4.470 0.001 0.000 0.218 114 S C 0.853 175.415 174.600 -0.063 0.000 0.977 114 S CA -0.355 57.818 58.200 -0.046 0.000 0.918 114 S CB -0.446 62.746 63.200 -0.014 0.000 0.806 114 S HN 0.422 nan 8.310 nan 0.000 0.496 115 S N 2.048 117.735 115.700 -0.021 0.000 2.608 115 S HA 0.514 4.984 4.470 0.001 0.000 0.261 115 S C -0.179 174.385 174.600 -0.061 0.000 1.314 115 S CA -0.634 57.575 58.200 0.015 0.000 0.992 115 S CB 0.396 63.671 63.200 0.124 0.000 0.935 115 S HN 0.376 nan 8.310 nan 0.000 0.564 116 N N -0.944 117.765 118.700 0.016 0.000 2.697 116 N HA 0.606 5.346 4.740 0.001 0.000 0.272 116 N C 0.609 176.212 175.510 0.154 0.000 1.381 116 N CA 0.272 53.324 53.050 0.003 0.000 0.797 116 N CB 1.428 39.876 38.487 -0.065 0.000 1.523 116 N HN 1.034 nan 8.380 nan 0.000 0.518 117 G N 1.193 110.106 108.800 0.188 0.000 2.582 117 G HA2 -0.374 3.586 3.960 0.001 0.000 0.300 117 G HA3 -0.374 3.586 3.960 0.001 0.000 0.300 117 G C 0.899 175.921 174.900 0.202 0.000 1.300 117 G CA 0.819 46.034 45.100 0.192 0.000 0.959 117 G HN 0.654 nan 8.290 nan 0.000 0.548 118 K N -0.110 120.358 120.400 0.113 0.000 2.127 118 K HA -0.236 4.084 4.320 0.001 0.000 0.208 118 K C 2.654 179.292 176.600 0.062 0.000 1.047 118 K CA 1.971 58.301 56.287 0.072 0.000 0.927 118 K CB -0.177 32.350 32.500 0.045 0.000 0.716 118 K HN 0.409 nan 8.250 nan 0.000 0.450 119 R N 0.636 121.183 120.500 0.078 0.000 2.082 119 R HA -0.206 4.134 4.340 0.001 0.000 0.234 119 R C 1.895 178.265 176.300 0.117 0.000 1.136 119 R CA 2.069 58.201 56.100 0.054 0.000 0.935 119 R CB -1.019 29.319 30.300 0.064 0.000 0.842 119 R HN 0.395 nan 8.270 nan 0.000 0.430 120 W N 1.544 122.837 121.300 -0.013 0.000 2.354 120 W HA -0.140 4.520 4.660 0.000 0.000 0.315 120 W C 1.622 178.160 176.519 0.031 0.000 1.206 120 W CA 2.022 59.372 57.345 0.008 0.000 1.290 120 W CB -0.409 29.052 29.460 0.002 0.000 1.152 120 W HN 0.101 nan 8.180 nan 0.000 0.489 121 K N -0.023 120.286 120.400 -0.152 0.000 2.103 121 K HA -0.216 4.104 4.320 0.001 0.000 0.207 121 K C 1.920 178.409 176.600 -0.184 0.000 1.048 121 K CA 2.085 58.139 56.287 -0.388 0.000 0.930 121 K CB -0.329 32.056 32.500 -0.193 0.000 0.716 121 K HN 0.351 nan 8.250 nan 0.000 0.444 122 E N 0.231 120.400 120.200 -0.053 0.000 2.076 122 E HA -0.064 4.287 4.350 0.001 0.000 0.190 122 E C 2.001 178.679 176.600 0.129 0.000 0.979 122 E CA 0.525 56.957 56.400 0.053 0.000 0.807 122 E CB 0.146 29.867 29.700 0.035 0.000 0.761 122 E HN 0.174 nan 8.360 nan 0.000 0.454 123 I N 1.040 121.614 120.570 0.007 0.000 2.286 123 I HA -0.188 3.982 4.170 0.001 0.000 0.245 123 I C 2.522 178.798 176.117 0.264 0.000 1.104 123 I CA 1.121 62.498 61.300 0.129 0.000 1.397 123 I CB -0.708 37.349 38.000 0.095 0.000 1.072 123 I HN 0.084 nan 8.210 nan 0.000 0.417 124 R N 0.907 121.450 120.500 0.072 0.000 2.115 124 R HA -0.134 4.206 4.340 0.001 0.000 0.226 124 R C 2.433 178.751 176.300 0.030 0.000 1.100 124 R CA 0.960 57.070 56.100 0.017 0.000 0.980 124 R CB -0.071 30.058 30.300 -0.286 0.000 0.875 124 R HN 0.205 nan 8.270 nan 0.000 0.445 125 R N -0.321 120.187 120.500 0.013 0.000 2.066 125 R HA -0.158 4.183 4.340 0.001 0.000 0.232 125 R C 2.152 178.521 176.300 0.115 0.000 1.131 125 R CA 1.732 57.848 56.100 0.026 0.000 0.955 125 R CB -0.400 29.911 30.300 0.017 0.000 0.851 125 R HN 0.252 nan 8.270 nan 0.000 0.432 126 F N 0.987 120.987 119.950 0.083 0.000 2.186 126 F HA -0.110 4.417 4.527 0.000 0.000 0.299 126 F C 2.072 177.925 175.800 0.089 0.000 1.090 126 F CA 1.540 59.584 58.000 0.072 0.000 1.307 126 F CB -0.226 38.874 39.000 0.168 0.000 1.019 126 F HN -0.077 nan 8.300 nan 0.000 0.489 127 S N 1.166 117.051 115.700 0.310 0.000 2.368 127 S HA -0.096 4.374 4.470 0.001 0.000 0.224 127 S C 2.119 176.762 174.600 0.072 0.000 1.029 127 S CA 1.346 59.716 58.200 0.284 0.000 0.988 127 S CB -0.542 62.942 63.200 0.472 0.000 0.838 127 S HN 0.402 nan 8.310 nan 0.000 0.462 128 L N 1.006 122.251 121.223 0.038 0.000 2.042 128 L HA -0.150 4.191 4.340 0.001 0.000 0.210 128 L C 2.621 179.448 176.870 -0.071 0.000 1.076 128 L CA 1.247 56.079 54.840 -0.013 0.000 0.749 128 L CB -1.149 40.898 42.059 -0.019 0.000 0.893 128 L HN 0.330 nan 8.230 nan 0.000 0.432 129 T N -1.466 113.010 114.554 -0.129 0.000 2.777 129 T HA -0.159 4.191 4.350 0.001 0.000 0.266 129 T C 1.850 176.413 174.700 -0.228 0.000 1.040 129 T CA 1.881 63.879 62.100 -0.170 0.000 1.141 129 T CB -0.245 68.508 68.868 -0.192 0.000 0.868 129 T HN 0.520 nan 8.240 nan 0.000 0.444 130 T N 0.051 114.377 114.554 -0.380 0.000 3.113 130 T HA 0.192 4.542 4.350 0.001 0.000 0.256 130 T C 1.439 176.059 174.700 -0.135 0.000 1.131 130 T CA 0.319 62.198 62.100 -0.369 0.000 1.074 130 T CB -0.380 68.032 68.868 -0.760 0.000 0.944 130 T HN 0.294 nan 8.240 nan 0.000 0.516 131 L N 0.315 121.500 121.223 -0.063 0.000 2.700 131 L HA 0.369 4.709 4.340 0.001 0.000 0.234 131 L C 1.039 177.872 176.870 -0.062 0.000 1.156 131 L CA -0.477 54.356 54.840 -0.012 0.000 0.946 131 L CB 0.031 42.104 42.059 0.023 0.000 1.216 131 L HN 0.098 nan 8.230 nan 0.000 0.493 132 R N 0.031 120.486 120.500 -0.075 0.000 2.615 132 R HA 0.021 4.361 4.340 0.001 0.000 0.270 132 R C 0.920 177.151 176.300 -0.115 0.000 1.081 132 R CA -0.360 55.694 56.100 -0.075 0.000 1.154 132 R CB 0.406 30.680 30.300 -0.043 0.000 1.063 132 R HN -0.068 nan 8.270 nan 0.000 0.519 133 N N 1.136 119.733 118.700 -0.172 0.000 2.049 133 N HA -0.218 4.522 4.740 0.001 0.000 0.198 133 N C -0.034 175.160 175.510 -0.527 0.000 1.030 133 N CA 1.797 54.612 53.050 -0.391 0.000 0.870 133 N CB -0.036 38.155 38.487 -0.493 0.000 1.045 133 N HN 0.432 nan 8.380 nan 0.000 0.434 134 F N -1.282 118.636 119.950 -0.053 0.000 2.883 134 F HA 0.441 4.968 4.527 0.000 0.000 0.312 134 F C 1.465 177.227 175.800 -0.063 0.000 1.246 134 F CA -0.441 57.529 58.000 -0.051 0.000 1.238 134 F CB 0.657 39.628 39.000 -0.047 0.000 1.195 134 F HN 0.013 nan 8.300 nan 0.000 0.526 135 G N -0.418 108.393 108.800 0.019 0.000 3.126 135 G HA2 0.134 4.094 3.960 0.001 0.000 0.224 135 G HA3 0.134 4.094 3.960 0.001 0.000 0.224 135 G C 0.888 175.752 174.900 -0.060 0.000 1.142 135 G CA -0.013 45.065 45.100 -0.038 0.000 0.759 135 G HN 0.353 nan 8.290 nan 0.000 0.550 136 M N 0.679 120.268 119.600 -0.019 0.000 2.596 136 M HA 0.384 4.864 4.480 0.001 0.000 0.364 136 M C 0.809 177.122 176.300 0.021 0.000 1.158 136 M CA 0.341 55.635 55.300 -0.010 0.000 0.940 136 M CB 1.438 34.043 32.600 0.009 0.000 1.388 136 M HN 0.268 nan 8.290 nan 0.000 0.522 137 G N 0.750 109.573 108.800 0.037 0.000 2.341 137 G HA2 -0.189 3.772 3.960 0.001 0.000 0.196 137 G HA3 -0.189 3.772 3.960 0.001 0.000 0.196 137 G C -0.130 174.817 174.900 0.079 0.000 1.231 137 G CA -0.605 44.522 45.100 0.045 0.000 1.155 137 G HN 0.172 nan 8.290 nan 0.000 0.529 138 K N 0.424 120.861 120.400 0.061 0.000 1.984 138 K HA 0.089 4.409 4.320 0.001 0.000 0.209 138 K C 1.728 178.391 176.600 0.106 0.000 1.046 138 K CA 1.348 57.679 56.287 0.073 0.000 0.934 138 K CB -0.206 32.317 32.500 0.039 0.000 0.717 138 K HN 0.479 nan 8.250 nan 0.000 0.438 139 R N 1.699 122.237 120.500 0.064 0.000 2.401 139 R HA 0.052 4.393 4.340 0.001 0.000 0.299 139 R C -0.338 175.968 176.300 0.010 0.000 1.064 139 R CA 0.036 56.161 56.100 0.041 0.000 1.000 139 R CB 0.418 30.726 30.300 0.014 0.000 0.973 139 R HN 0.302 nan 8.270 nan 0.000 0.438 140 S N 3.526 119.199 115.700 -0.046 0.000 2.624 140 S HA 0.120 4.590 4.470 0.001 0.000 0.263 140 S C 1.494 175.965 174.600 -0.215 0.000 1.287 140 S CA -0.753 57.286 58.200 -0.269 0.000 0.990 140 S CB 0.845 63.706 63.200 -0.564 0.000 0.950 140 S HN 0.674 nan 8.310 nan 0.000 0.561 141 I N 0.496 120.903 120.570 -0.273 0.000 2.333 141 I HA -0.086 4.084 4.170 0.001 0.000 0.246 141 I C 2.845 178.857 176.117 -0.176 0.000 1.106 141 I CA 1.255 62.445 61.300 -0.182 0.000 1.411 141 I CB -0.370 37.526 38.000 -0.174 0.000 1.082 141 I HN 0.902 nan 8.210 nan 0.000 0.420 142 E N 1.082 121.148 120.200 -0.224 0.000 2.085 142 E HA -0.333 4.018 4.350 0.001 0.000 0.194 142 E C 1.612 178.135 176.600 -0.127 0.000 0.994 142 E CA 1.980 58.275 56.400 -0.175 0.000 0.801 142 E CB -0.004 29.587 29.700 -0.181 0.000 0.743 142 E HN 0.393 nan 8.360 nan 0.000 0.453 143 D N -0.520 119.808 120.400 -0.120 0.000 2.178 143 D HA -0.110 4.530 4.640 0.001 0.000 0.201 143 D C 2.071 178.336 176.300 -0.058 0.000 0.980 143 D CA 0.891 54.848 54.000 -0.071 0.000 0.842 143 D CB 0.130 40.898 40.800 -0.053 0.000 0.948 143 D HN 0.049 nan 8.370 nan 0.000 0.472 144 R N -0.675 119.785 120.500 -0.067 0.000 2.090 144 R HA -0.022 4.318 4.340 0.001 0.000 0.228 144 R C 2.181 178.462 176.300 -0.032 0.000 1.110 144 R CA 0.624 56.700 56.100 -0.041 0.000 0.973 144 R CB -0.076 30.200 30.300 -0.040 0.000 0.869 144 R HN 0.119 nan 8.270 nan 0.000 0.440 145 V N 0.724 120.590 119.914 -0.081 0.000 2.379 145 V HA -0.210 3.910 4.120 0.001 0.000 0.245 145 V C 2.113 178.130 176.094 -0.127 0.000 1.044 145 V CA 1.571 63.785 62.300 -0.143 0.000 1.036 145 V CB -0.308 31.357 31.823 -0.264 0.000 0.664 145 V HN 0.363 nan 8.190 nan 0.000 0.453 146 Q N -0.492 119.256 119.800 -0.086 0.000 2.170 146 Q HA -0.264 4.076 4.340 0.001 0.000 0.203 146 Q C 2.279 178.309 176.000 0.050 0.000 0.976 146 Q CA 1.803 57.590 55.803 -0.026 0.000 0.858 146 Q CB -0.072 28.652 28.738 -0.022 0.000 0.907 146 Q HN 0.721 nan 8.270 nan 0.000 0.433 147 E N 0.290 120.514 120.200 0.040 0.000 2.216 147 E HA -0.189 4.161 4.350 0.001 0.000 0.192 147 E C 1.510 178.194 176.600 0.140 0.000 0.988 147 E CA 0.598 57.037 56.400 0.064 0.000 0.834 147 E CB 0.285 29.989 29.700 0.007 0.000 0.772 147 E HN 0.146 nan 8.360 nan 0.000 0.479 148 E N 0.559 120.863 120.200 0.174 0.000 2.072 148 E HA -0.035 4.315 4.350 0.001 0.000 0.190 148 E C 1.768 178.625 176.600 0.428 0.000 0.982 148 E CA 1.260 57.836 56.400 0.292 0.000 0.803 148 E CB -0.266 29.692 29.700 0.431 0.000 0.755 148 E HN 0.330 nan 8.360 nan 0.000 0.453 149 A N 0.564 123.680 122.820 0.492 0.000 1.978 149 A HA -0.248 4.072 4.320 0.001 0.000 0.220 149 A C 2.199 179.945 177.584 0.270 0.000 1.170 149 A CA 1.923 54.252 52.037 0.486 0.000 0.636 149 A CB -0.894 18.271 19.000 0.276 0.000 0.810 149 A HN 0.500 nan 8.150 nan 0.000 0.448 150 H N -0.679 118.473 119.070 0.137 0.000 2.363 150 H HA -0.100 4.457 4.556 0.001 0.000 0.301 150 H C 1.956 177.329 175.328 0.076 0.000 1.074 150 H CA 1.940 58.037 56.048 0.082 0.000 1.354 150 H CB -0.350 29.438 29.762 0.042 0.000 1.397 150 H HN 0.452 nan 8.280 nan 0.000 0.516 151 C N 1.004 120.377 119.300 0.123 0.000 2.432 151 C HA -0.069 4.391 4.460 0.001 0.000 0.280 151 C C 2.911 177.962 174.990 0.100 0.000 1.353 151 C CA 0.465 59.501 59.018 0.029 0.000 1.766 151 C CB -1.107 26.573 27.740 -0.100 0.000 1.924 151 C HN 0.505 nan 8.230 nan 0.000 0.509 152 L N 2.217 123.521 121.223 0.135 0.000 2.005 152 L HA -0.078 4.262 4.340 0.001 0.000 0.207 152 L C 2.752 179.625 176.870 0.005 0.000 1.072 152 L CA 2.469 57.354 54.840 0.074 0.000 0.744 152 L CB -1.003 41.035 42.059 -0.035 0.000 0.895 152 L HN 0.330 nan 8.230 nan 0.000 0.433 153 V N -2.415 117.516 119.914 0.027 0.000 2.407 153 V HA -0.218 3.902 4.120 0.001 0.000 0.248 153 V C 2.482 178.624 176.094 0.080 0.000 1.055 153 V CA 1.826 64.194 62.300 0.114 0.000 1.049 153 V CB -1.155 30.712 31.823 0.073 0.000 0.662 153 V HN 0.545 nan 8.190 nan 0.000 0.455 154 E N 0.902 121.070 120.200 -0.053 0.000 2.058 154 E HA -0.212 4.138 4.350 0.001 0.000 0.194 154 E C 2.210 178.831 176.600 0.035 0.000 0.997 154 E CA 1.865 58.239 56.400 -0.044 0.000 0.801 154 E CB -0.401 29.224 29.700 -0.124 0.000 0.746 154 E HN 0.683 nan 8.360 nan 0.000 0.450 155 E N 0.134 120.367 120.200 0.055 0.000 2.072 155 E HA -0.120 4.230 4.350 0.001 0.000 0.191 155 E C 2.302 178.881 176.600 -0.035 0.000 0.985 155 E CA 0.791 57.222 56.400 0.052 0.000 0.801 155 E CB -0.322 29.423 29.700 0.075 0.000 0.750 155 E HN 0.372 nan 8.360 nan 0.000 0.452 156 L N 0.481 121.623 121.223 -0.135 0.000 2.187 156 L HA -0.156 4.184 4.340 0.001 0.000 0.213 156 L C 2.548 179.315 176.870 -0.171 0.000 1.100 156 L CA 0.975 55.599 54.840 -0.361 0.000 0.765 156 L CB -0.352 41.223 42.059 -0.808 0.000 0.904 156 L HN 0.046 nan 8.230 nan 0.000 0.437 157 R N 0.397 120.967 120.500 0.117 0.000 2.115 157 R HA -0.118 4.222 4.340 0.001 0.000 0.230 157 R C 2.053 178.419 176.300 0.110 0.000 1.111 157 R CA 0.875 57.118 56.100 0.238 0.000 0.976 157 R CB -0.168 30.267 30.300 0.225 0.000 0.870 157 R HN 0.404 nan 8.270 nan 0.000 0.445 158 K N 0.267 120.704 120.400 0.062 0.000 2.442 158 K HA -0.058 4.262 4.320 0.001 0.000 0.198 158 K C 1.789 178.414 176.600 0.041 0.000 1.042 158 K CA 1.482 57.800 56.287 0.053 0.000 0.958 158 K CB -0.024 32.508 32.500 0.053 0.000 0.766 158 K HN 0.280 nan 8.250 nan 0.000 0.474 159 T N -1.260 113.309 114.554 0.025 0.000 3.118 159 T HA -0.002 4.348 4.350 0.001 0.000 0.260 159 T C 0.586 175.313 174.700 0.046 0.000 1.139 159 T CA -0.005 62.113 62.100 0.030 0.000 1.085 159 T CB -0.056 68.829 68.868 0.029 0.000 0.934 159 T HN -0.055 nan 8.240 nan 0.000 0.518 160 K N 0.691 121.128 120.400 0.062 0.000 3.148 160 K HA -0.216 4.104 4.320 0.001 0.000 0.267 160 K C 0.932 177.577 176.600 0.075 0.000 0.996 160 K CA 0.760 57.091 56.287 0.073 0.000 0.737 160 K CB -2.319 30.213 32.500 0.054 0.000 1.308 160 K HN 1.189 nan 8.250 nan 0.000 0.470 161 A N -1.486 121.390 122.820 0.093 0.000 2.799 161 A HA -0.316 4.004 4.320 0.001 0.000 0.274 161 A C 0.655 178.269 177.584 0.049 0.000 1.393 161 A CA 1.877 53.967 52.037 0.088 0.000 0.909 161 A CB -2.010 17.053 19.000 0.105 0.000 1.012 161 A HN 1.149 nan 8.150 nan 0.000 0.653 162 S N -0.224 115.501 115.700 0.042 0.000 2.646 162 S HA 0.722 5.192 4.470 0.001 0.000 0.276 162 S C -1.992 172.614 174.600 0.010 0.000 1.222 162 S CA -1.220 56.993 58.200 0.021 0.000 1.014 162 S CB 1.342 64.553 63.200 0.020 0.000 0.991 162 S HN 0.471 nan 8.310 nan 0.000 0.533 163 P HA 0.250 nan 4.420 nan 0.000 0.265 163 P C -0.178 177.113 177.300 -0.015 0.000 1.193 163 P CA -0.199 62.886 63.100 -0.025 0.000 0.765 163 P CB -0.167 31.517 31.700 -0.026 0.000 0.823 164 C N 0.687 119.973 119.300 -0.024 0.000 3.312 164 C HA 0.528 4.988 4.460 0.001 0.000 0.332 164 C C -1.034 173.919 174.990 -0.061 0.000 1.340 164 C CA -0.873 58.135 59.018 -0.017 0.000 1.265 164 C CB 1.472 29.234 27.740 0.036 0.000 1.563 164 C HN 0.474 nan 8.230 nan 0.000 0.471 165 D N 2.466 122.816 120.400 -0.083 0.000 2.317 165 D HA 0.454 5.094 4.640 0.001 0.000 0.234 165 D C -1.102 175.134 176.300 -0.106 0.000 1.112 165 D CA -1.748 52.150 54.000 -0.171 0.000 0.840 165 D CB 1.659 42.368 40.800 -0.151 0.000 1.078 165 D HN 0.571 nan 8.370 nan 0.000 0.486 166 P HA -0.037 nan 4.420 nan 0.000 0.242 166 P C 0.996 178.259 177.300 -0.060 0.000 1.197 166 P CA 0.261 63.351 63.100 -0.017 0.000 0.765 166 P CB 0.353 32.119 31.700 0.110 0.000 0.936 167 T N 0.184 114.685 114.554 -0.089 0.000 2.635 167 T HA -0.206 4.144 4.350 0.001 0.000 0.267 167 T C 1.363 176.056 174.700 -0.013 0.000 1.040 167 T CA 1.429 63.495 62.100 -0.057 0.000 1.156 167 T CB -0.930 67.907 68.868 -0.052 0.000 0.863 167 T HN 0.062 nan 8.240 nan 0.000 0.430 168 F N 1.553 121.425 119.950 -0.131 0.000 2.075 168 F HA 0.008 4.535 4.527 0.000 0.000 0.297 168 F C 2.056 177.748 175.800 -0.180 0.000 1.113 168 F CA 0.859 58.774 58.000 -0.141 0.000 1.218 168 F CB -0.514 38.411 39.000 -0.126 0.000 0.984 168 F HN 0.097 nan 8.300 nan 0.000 0.472 169 I N -0.407 120.012 120.570 -0.252 0.000 2.202 169 I HA -0.279 3.891 4.170 0.001 0.000 0.242 169 I C 2.133 178.002 176.117 -0.414 0.000 1.091 169 I CA 0.829 61.871 61.300 -0.430 0.000 1.368 169 I CB -0.645 37.197 38.000 -0.263 0.000 1.058 169 I HN 0.128 nan 8.210 nan 0.000 0.410 170 L N 0.960 122.023 121.223 -0.268 0.000 2.353 170 L HA -0.078 4.263 4.340 0.001 0.000 0.220 170 L C 2.307 179.031 176.870 -0.243 0.000 1.133 170 L CA 1.558 56.254 54.840 -0.239 0.000 0.798 170 L CB -1.340 40.650 42.059 -0.115 0.000 0.922 170 L HN 0.216 nan 8.230 nan 0.000 0.445 171 G N -2.901 105.741 108.800 -0.265 0.000 2.595 171 G HA2 -0.112 3.848 3.960 0.001 0.000 0.213 171 G HA3 -0.112 3.848 3.960 0.001 0.000 0.213 171 G C 1.542 176.298 174.900 -0.240 0.000 1.141 171 G CA 0.536 45.502 45.100 -0.224 0.000 0.806 171 G HN 0.415 nan 8.290 nan 0.000 0.530 172 C N 1.026 120.087 119.300 -0.398 0.000 2.432 172 C HA 0.273 4.733 4.460 0.001 0.000 0.280 172 C C 3.373 178.375 174.990 0.019 0.000 1.353 172 C CA 0.611 59.487 59.018 -0.237 0.000 1.766 172 C CB -0.704 26.590 27.740 -0.744 0.000 1.924 172 C HN 0.549 nan 8.230 nan 0.000 0.509 173 A N 2.019 124.749 122.820 -0.150 0.000 1.835 173 A HA -0.089 4.232 4.320 0.001 0.000 0.215 173 A C 0.152 177.802 177.584 0.110 0.000 1.199 173 A CA 1.762 53.753 52.037 -0.077 0.000 0.615 173 A CB -1.947 16.684 19.000 -0.615 0.000 0.838 173 A HN 0.404 nan 8.150 nan 0.000 0.444 174 P HA -0.107 nan 4.420 nan 0.000 0.219 174 P C 1.700 179.096 177.300 0.159 0.000 1.146 174 P CA 1.146 64.349 63.100 0.172 0.000 0.808 174 P CB -0.238 31.524 31.700 0.104 0.000 0.779 175 C N -0.980 118.430 119.300 0.182 0.000 2.457 175 C HA 0.008 4.468 4.460 0.001 0.000 0.278 175 C C 2.518 177.770 174.990 0.437 0.000 1.309 175 C CA 0.765 59.960 59.018 0.295 0.000 1.735 175 C CB -1.988 25.910 27.740 0.264 0.000 1.992 175 C HN 0.192 nan 8.230 nan 0.000 0.493 176 N N 0.536 119.489 118.700 0.420 0.000 2.244 176 N HA -0.077 4.663 4.740 0.001 0.000 0.183 176 N C 1.702 177.355 175.510 0.238 0.000 1.016 176 N CA 1.233 54.487 53.050 0.340 0.000 0.866 176 N CB -0.132 38.496 38.487 0.236 0.000 0.980 176 N HN 0.419 nan 8.380 nan 0.000 0.430 177 V N 1.658 121.695 119.914 0.205 0.000 2.295 177 V HA -0.196 3.924 4.120 0.001 0.000 0.246 177 V C 2.331 178.427 176.094 0.004 0.000 1.049 177 V CA 1.025 63.394 62.300 0.115 0.000 1.024 177 V CB -0.266 31.636 31.823 0.131 0.000 0.648 177 V HN 0.223 nan 8.190 nan 0.000 0.447 178 I N -0.440 120.094 120.570 -0.060 0.000 2.226 178 I HA -0.230 3.940 4.170 0.001 0.000 0.245 178 I C 2.656 178.560 176.117 -0.356 0.000 1.100 178 I CA 1.457 62.548 61.300 -0.347 0.000 1.374 178 I CB -1.502 36.098 38.000 -0.666 0.000 1.057 178 I HN 0.382 nan 8.210 nan 0.000 0.413 179 C N -0.039 119.276 119.300 0.026 0.000 2.413 179 C HA -0.174 4.286 4.460 0.001 0.000 0.276 179 C C 3.302 178.370 174.990 0.130 0.000 1.236 179 C CA 1.532 60.716 59.018 0.276 0.000 1.735 179 C CB -1.062 27.190 27.740 0.854 0.000 2.031 179 C HN 0.537 nan 8.230 nan 0.000 0.474 180 S N -0.046 115.721 115.700 0.112 0.000 2.400 180 S HA -0.132 4.338 4.470 0.001 0.000 0.232 180 S C 1.785 176.400 174.600 0.025 0.000 1.025 180 S CA 1.682 59.921 58.200 0.065 0.000 0.993 180 S CB -0.171 63.056 63.200 0.045 0.000 0.808 180 S HN 0.414 nan 8.310 nan 0.000 0.478 181 V N 1.654 121.540 119.914 -0.046 0.000 2.255 181 V HA -0.107 4.013 4.120 0.001 0.000 0.243 181 V C 2.535 178.618 176.094 -0.018 0.000 1.038 181 V CA 1.813 64.085 62.300 -0.048 0.000 1.008 181 V CB -0.676 31.075 31.823 -0.119 0.000 0.645 181 V HN 0.629 nan 8.190 nan 0.000 0.449 182 V N -2.943 116.845 119.914 -0.210 0.000 2.548 182 V HA 0.029 4.149 4.120 0.001 0.000 0.249 182 V C 1.130 177.212 176.094 -0.020 0.000 1.055 182 V CA 0.898 63.068 62.300 -0.217 0.000 1.065 182 V CB -0.703 30.722 31.823 -0.664 0.000 0.681 182 V HN 0.227 nan 8.190 nan 0.000 0.462 183 F N 0.583 120.642 119.950 0.182 0.000 2.525 183 F HA 0.557 5.084 4.527 0.001 0.000 0.346 183 F C 1.820 177.729 175.800 0.181 0.000 1.072 183 F CA -1.605 56.533 58.000 0.230 0.000 1.033 183 F CB 0.579 39.713 39.000 0.222 0.000 1.324 183 F HN -0.113 nan 8.300 nan 0.000 0.491 184 Q N 0.497 120.525 119.800 0.380 0.000 2.077 184 Q HA -0.138 4.202 4.340 0.001 0.000 0.206 184 Q C -0.139 175.903 176.000 0.071 0.000 0.989 184 Q CA 1.757 57.646 55.803 0.143 0.000 0.853 184 Q CB -0.172 28.574 28.738 0.013 0.000 0.907 184 Q HN 0.656 nan 8.270 nan 0.000 0.418 185 K N -0.373 120.041 120.400 0.023 0.000 2.571 185 K HA 0.412 4.732 4.320 0.001 0.000 0.289 185 K C -1.087 175.451 176.600 -0.103 0.000 1.028 185 K CA -1.059 55.209 56.287 -0.033 0.000 0.895 185 K CB 1.219 33.681 32.500 -0.064 0.000 1.534 185 K HN -0.015 nan 8.250 nan 0.000 0.421 186 R N 0.219 120.671 120.500 -0.079 0.000 2.738 186 R HA 0.252 4.592 4.340 0.001 0.000 0.268 186 R C -1.007 175.177 176.300 -0.193 0.000 1.062 186 R CA -0.346 55.712 56.100 -0.070 0.000 1.158 186 R CB 0.004 30.276 30.300 -0.047 0.000 1.046 186 R HN 0.341 nan 8.270 nan 0.000 0.493 187 F N -0.176 119.681 119.950 -0.154 0.000 2.378 187 F HA 0.163 4.690 4.527 0.001 0.000 0.325 187 F C 0.986 176.606 175.800 -0.299 0.000 1.097 187 F CA -0.526 57.366 58.000 -0.180 0.000 1.079 187 F CB 0.721 39.598 39.000 -0.206 0.000 1.240 187 F HN 0.560 nan 8.300 nan 0.000 0.519 188 D N 1.051 121.470 120.400 0.031 0.000 2.350 188 D HA -0.002 4.639 4.640 0.001 0.000 0.249 188 D C 0.865 177.185 176.300 0.033 0.000 1.119 188 D CA 0.020 53.988 54.000 -0.053 0.000 0.886 188 D CB 0.570 41.384 40.800 0.023 0.000 1.195 188 D HN 0.608 nan 8.370 nan 0.000 0.437 189 Y N 1.854 122.134 120.300 -0.032 0.000 2.173 189 Y HA -0.229 4.321 4.550 0.001 0.000 0.282 189 Y C 2.094 178.139 175.900 0.243 0.000 1.192 189 Y CA 0.484 58.628 58.100 0.073 0.000 1.176 189 Y CB 0.194 38.696 38.460 0.070 0.000 0.969 189 Y HN 0.247 nan 8.280 nan 0.000 0.519 190 K N 0.667 121.265 120.400 0.330 0.000 2.505 190 K HA -0.032 4.289 4.320 0.001 0.000 0.192 190 K C -0.381 176.359 176.600 0.232 0.000 1.025 190 K CA 0.221 56.665 56.287 0.261 0.000 1.086 190 K CB -0.505 32.105 32.500 0.183 0.000 0.840 190 K HN 0.209 nan 8.250 nan 0.000 0.514 191 D N 1.145 121.712 120.400 0.279 0.000 2.317 191 D HA -0.025 4.615 4.640 0.001 0.000 0.252 191 D C 1.114 177.553 176.300 0.232 0.000 1.174 191 D CA 0.120 54.274 54.000 0.257 0.000 0.866 191 D CB 1.396 42.393 40.800 0.327 0.000 1.127 191 D HN -0.107 nan 8.370 nan 0.000 0.467 192 Q N 3.853 123.738 119.800 0.141 0.000 2.045 192 Q HA -0.209 4.131 4.340 0.001 0.000 0.206 192 Q C 1.189 177.179 176.000 -0.017 0.000 0.991 192 Q CA 1.773 57.613 55.803 0.061 0.000 0.851 192 Q CB -0.159 28.605 28.738 0.043 0.000 0.911 192 Q HN 0.506 nan 8.270 nan 0.000 0.418 193 N N -0.576 118.122 118.700 -0.004 0.000 2.405 193 N HA -0.172 4.568 4.740 0.001 0.000 0.189 193 N C 1.299 176.570 175.510 -0.399 0.000 1.021 193 N CA 1.247 54.201 53.050 -0.161 0.000 0.891 193 N CB -0.299 38.223 38.487 0.058 0.000 0.955 193 N HN 0.355 nan 8.380 nan 0.000 0.443 194 F N 0.963 120.626 119.950 -0.479 0.000 2.274 194 F HA 0.192 4.720 4.527 0.001 0.000 0.288 194 F C 2.020 177.645 175.800 -0.291 0.000 1.069 194 F CA 0.246 57.866 58.000 -0.634 0.000 1.343 194 F CB -0.377 38.327 39.000 -0.495 0.000 1.089 194 F HN -0.168 nan 8.300 nan 0.000 0.517 195 L N 0.381 121.420 121.223 -0.307 0.000 2.017 195 L HA -0.204 4.137 4.340 0.001 0.000 0.208 195 L C 2.680 179.382 176.870 -0.281 0.000 1.073 195 L CA 2.042 56.699 54.840 -0.304 0.000 0.745 195 L CB -1.480 40.562 42.059 -0.029 0.000 0.894 195 L HN 0.359 nan 8.230 nan 0.000 0.432 196 T N -1.813 112.605 114.554 -0.225 0.000 2.777 196 T HA -0.181 4.169 4.350 0.001 0.000 0.266 196 T C 1.968 176.514 174.700 -0.256 0.000 1.040 196 T CA 0.700 62.679 62.100 -0.203 0.000 1.141 196 T CB -0.487 68.279 68.868 -0.169 0.000 0.868 196 T HN 0.155 nan 8.240 nan 0.000 0.444 197 L N 0.456 121.470 121.223 -0.349 0.000 2.043 197 L HA -0.002 4.338 4.340 0.001 0.000 0.212 197 L C 2.439 179.188 176.870 -0.203 0.000 1.075 197 L CA 2.499 57.135 54.840 -0.340 0.000 0.752 197 L CB -0.903 40.868 42.059 -0.480 0.000 0.891 197 L HN 0.500 nan 8.230 nan 0.000 0.432 198 M N -1.010 118.390 119.600 -0.334 0.000 2.236 198 M HA -0.162 4.319 4.480 0.001 0.000 0.266 198 M C 2.097 178.321 176.300 -0.126 0.000 1.070 198 M CA 1.291 56.432 55.300 -0.265 0.000 1.137 198 M CB -0.190 32.069 32.600 -0.568 0.000 1.378 198 M HN -0.009 nan 8.290 nan 0.000 0.426 199 K N 0.852 121.161 120.400 -0.151 0.000 2.097 199 K HA -0.098 4.222 4.320 0.001 0.000 0.205 199 K C 1.921 178.477 176.600 -0.073 0.000 1.050 199 K CA 1.453 57.688 56.287 -0.086 0.000 0.938 199 K CB -0.252 32.192 32.500 -0.094 0.000 0.718 199 K HN 0.440 nan 8.250 nan 0.000 0.442 200 R N -1.021 119.405 120.500 -0.124 0.000 2.070 200 R HA -0.067 4.273 4.340 0.001 0.000 0.233 200 R C 2.470 178.669 176.300 -0.168 0.000 1.137 200 R CA 1.650 57.641 56.100 -0.182 0.000 0.945 200 R CB -0.398 29.722 30.300 -0.299 0.000 0.845 200 R HN 0.134 nan 8.270 nan 0.000 0.430 201 F N 1.209 121.099 119.950 -0.099 0.000 2.216 201 F HA -0.192 4.335 4.527 0.000 0.000 0.300 201 F C 2.521 178.338 175.800 0.028 0.000 1.085 201 F CA 1.158 59.133 58.000 -0.042 0.000 1.326 201 F CB -0.238 38.715 39.000 -0.078 0.000 1.027 201 F HN 0.177 nan 8.300 nan 0.000 0.497 202 N N 0.750 119.553 118.700 0.172 0.000 2.171 202 N HA -0.209 4.531 4.740 0.001 0.000 0.184 202 N C 1.934 177.540 175.510 0.161 0.000 1.021 202 N CA 1.308 54.451 53.050 0.156 0.000 0.854 202 N CB -0.243 38.283 38.487 0.064 0.000 0.994 202 N HN 0.428 nan 8.380 nan 0.000 0.426 203 E N 0.343 120.584 120.200 0.069 0.000 2.085 203 E HA -0.200 4.150 4.350 0.001 0.000 0.194 203 E C 1.486 178.109 176.600 0.038 0.000 0.994 203 E CA 1.210 57.631 56.400 0.035 0.000 0.801 203 E CB -0.036 29.654 29.700 -0.015 0.000 0.743 203 E HN 0.304 nan 8.360 nan 0.000 0.453 204 N N -0.246 118.477 118.700 0.039 0.000 2.142 204 N HA -0.142 4.598 4.740 0.001 0.000 0.186 204 N C 1.459 177.006 175.510 0.062 0.000 1.023 204 N CA 1.115 54.180 53.050 0.025 0.000 0.852 204 N CB -0.437 38.052 38.487 0.002 0.000 0.998 204 N HN 0.238 nan 8.380 nan 0.000 0.424 205 F N 1.626 121.599 119.950 0.039 0.000 2.069 205 F HA -0.154 4.374 4.527 0.001 0.000 0.298 205 F C 2.481 178.294 175.800 0.021 0.000 1.113 205 F CA 1.504 59.532 58.000 0.046 0.000 1.214 205 F CB -0.276 38.762 39.000 0.064 0.000 0.978 205 F HN -0.090 nan 8.300 nan 0.000 0.474 206 R N 0.498 121.029 120.500 0.052 0.000 2.105 206 R HA -0.173 4.167 4.340 0.001 0.000 0.239 206 R C 2.259 178.477 176.300 -0.136 0.000 1.135 206 R CA 2.204 58.283 56.100 -0.035 0.000 0.967 206 R CB -0.497 29.857 30.300 0.090 0.000 0.861 206 R HN 0.501 nan 8.270 nan 0.000 0.442 207 I N 0.151 120.657 120.570 -0.106 0.000 2.233 207 I HA -0.243 3.927 4.170 0.001 0.000 0.243 207 I C 1.704 177.733 176.117 -0.147 0.000 1.093 207 I CA 1.032 62.266 61.300 -0.110 0.000 1.380 207 I CB -0.058 37.891 38.000 -0.086 0.000 1.067 207 I HN 0.197 nan 8.210 nan 0.000 0.413 208 L N 0.491 121.610 121.223 -0.173 0.000 2.610 208 L HA -0.068 4.273 4.340 0.001 0.000 0.232 208 L C 1.062 177.795 176.870 -0.227 0.000 1.149 208 L CA 0.439 55.178 54.840 -0.168 0.000 0.872 208 L CB -0.651 41.333 42.059 -0.124 0.000 0.992 208 L HN 0.264 nan 8.230 nan 0.000 0.447 209 N N -0.221 118.274 118.700 -0.342 0.000 2.380 209 N HA -0.002 4.739 4.740 0.001 0.000 0.255 209 N C -0.090 175.299 175.510 -0.201 0.000 1.158 209 N CA -0.085 52.748 53.050 -0.362 0.000 0.878 209 N CB 0.413 38.471 38.487 -0.715 0.000 1.138 209 N HN -0.006 nan 8.380 nan 0.000 0.509 210 S N -0.428 115.192 115.700 -0.134 0.000 2.565 210 S HA 0.474 4.944 4.470 0.001 0.000 0.290 210 S C -1.706 172.852 174.600 -0.070 0.000 1.150 210 S CA -1.684 56.475 58.200 -0.068 0.000 1.058 210 S CB 1.195 64.394 63.200 -0.002 0.000 1.032 210 S HN 0.027 nan 8.310 nan 0.000 0.510 211 P HA -0.027 nan 4.420 nan 0.000 0.219 211 P C 0.480 177.655 177.300 -0.209 0.000 1.146 211 P CA 1.031 64.014 63.100 -0.194 0.000 0.808 211 P CB -0.019 31.511 31.700 -0.284 0.000 0.779 212 W N 0.022 121.241 121.300 -0.134 0.000 2.364 212 W HA -0.146 4.515 4.660 0.001 0.000 0.281 212 W C 1.781 178.222 176.519 -0.131 0.000 1.219 212 W CA 0.333 57.586 57.345 -0.153 0.000 1.220 212 W CB -0.881 28.390 29.460 -0.314 0.000 1.127 212 W HN 0.015 nan 8.180 nan 0.000 0.556 213 I N -1.825 118.783 120.570 0.062 0.000 2.493 213 I HA -0.225 3.945 4.170 0.001 0.000 0.254 213 I C 2.180 178.306 176.117 0.015 0.000 1.160 213 I CA 1.338 62.651 61.300 0.021 0.000 1.445 213 I CB -1.407 36.578 38.000 -0.025 0.000 1.086 213 I HN 0.004 nan 8.210 nan 0.000 0.433 214 Q N 1.502 121.293 119.800 -0.015 0.000 1.967 214 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 214 Q C 2.581 178.534 176.000 -0.079 0.000 0.985 214 Q CA 2.189 57.977 55.803 -0.025 0.000 0.839 214 Q CB -0.716 27.972 28.738 -0.085 0.000 0.906 214 Q HN 0.557 nan 8.270 nan 0.000 0.423 215 V N 0.752 120.616 119.914 -0.083 0.000 2.219 215 V HA -0.353 3.767 4.120 0.001 0.000 0.248 215 V C 2.643 178.767 176.094 0.049 0.000 1.053 215 V CA 2.034 64.314 62.300 -0.032 0.000 1.009 215 V CB -1.199 30.718 31.823 0.156 0.000 0.636 215 V HN 0.396 nan 8.190 nan 0.000 0.445 216 C N 0.199 119.624 119.300 0.208 0.000 2.403 216 C HA -0.173 4.287 4.460 0.001 0.000 0.279 216 C C 2.750 177.803 174.990 0.105 0.000 1.269 216 C CA 1.337 60.488 59.018 0.222 0.000 1.774 216 C CB -1.675 26.205 27.740 0.234 0.000 1.993 216 C HN 0.640 nan 8.230 nan 0.000 0.496 217 N N 0.925 119.644 118.700 0.031 0.000 2.244 217 N HA -0.059 4.681 4.740 0.001 0.000 0.183 217 N C 1.206 176.693 175.510 -0.038 0.000 1.016 217 N CA 1.188 54.242 53.050 0.005 0.000 0.866 217 N CB -0.486 38.003 38.487 0.003 0.000 0.980 217 N HN 0.658 nan 8.380 nan 0.000 0.430 218 N N -1.383 117.209 118.700 -0.181 0.000 2.373 218 N HA 0.125 4.865 4.740 0.001 0.000 0.181 218 N C -0.454 174.858 175.510 -0.330 0.000 1.082 218 N CA 0.130 52.980 53.050 -0.333 0.000 0.885 218 N CB 0.431 38.582 38.487 -0.561 0.000 0.977 218 N HN 0.114 nan 8.380 nan 0.000 0.462 219 F N -0.415 119.600 119.950 0.109 0.000 2.564 219 F HA 0.356 4.883 4.527 0.001 0.000 0.329 219 F C -1.899 173.964 175.800 0.105 0.000 1.458 219 F CA -2.034 56.026 58.000 0.100 0.000 1.117 219 F CB 1.594 40.656 39.000 0.104 0.000 1.383 219 F HN -0.183 nan 8.300 nan 0.000 0.571 220 P HA -0.283 nan 4.420 nan 0.000 0.221 220 P C 1.805 179.202 177.300 0.161 0.000 1.153 220 P CA 1.688 64.884 63.100 0.161 0.000 0.858 220 P CB 0.216 31.988 31.700 0.120 0.000 0.783 221 L N -2.181 119.140 121.223 0.163 0.000 2.012 221 L HA -0.210 4.130 4.340 0.001 0.000 0.210 221 L C 2.238 179.177 176.870 0.114 0.000 1.073 221 L CA 1.351 56.259 54.840 0.113 0.000 0.748 221 L CB -1.122 40.987 42.059 0.084 0.000 0.891 221 L HN -0.016 nan 8.230 nan 0.000 0.431 222 L N -0.150 121.177 121.223 0.173 0.000 2.197 222 L HA -0.275 4.066 4.340 0.001 0.000 0.215 222 L C 2.336 179.317 176.870 0.185 0.000 1.095 222 L CA 1.713 56.660 54.840 0.180 0.000 0.764 222 L CB -0.659 41.622 42.059 0.369 0.000 0.897 222 L HN 0.200 nan 8.230 nan 0.000 0.436 223 I N -0.632 120.075 120.570 0.228 0.000 2.399 223 I HA -0.307 3.864 4.170 0.001 0.000 0.254 223 I C 1.648 177.879 176.117 0.189 0.000 1.146 223 I CA 1.081 62.538 61.300 0.262 0.000 1.412 223 I CB -0.459 37.672 38.000 0.217 0.000 1.076 223 I HN 0.286 nan 8.210 nan 0.000 0.432 224 D N 0.066 120.511 120.400 0.074 0.000 2.348 224 D HA -0.062 4.578 4.640 0.001 0.000 0.216 224 D C 1.793 178.018 176.300 -0.124 0.000 0.970 224 D CA 0.807 54.801 54.000 -0.009 0.000 0.889 224 D CB -0.044 40.744 40.800 -0.020 0.000 0.912 224 D HN 0.411 nan 8.370 nan 0.000 0.524 225 C N -0.142 118.991 119.300 -0.280 0.000 2.697 225 C HA 0.157 4.618 4.460 0.001 0.000 0.267 225 C C 0.675 175.145 174.990 -0.868 0.000 1.278 225 C CA -0.441 58.209 59.018 -0.613 0.000 1.708 225 C CB -1.298 25.907 27.740 -0.892 0.000 1.860 225 C HN 0.071 nan 8.230 nan 0.000 0.589 226 F N 0.523 120.432 119.950 -0.069 0.000 2.679 226 F HA 0.306 4.833 4.527 0.001 0.000 0.354 226 F C -1.554 174.243 175.800 -0.005 0.000 1.423 226 F CA -2.359 55.594 58.000 -0.079 0.000 1.141 226 F CB -0.490 38.439 39.000 -0.118 0.000 1.168 226 F HN -0.002 nan 8.300 nan 0.000 0.530 227 P HA -0.181 nan 4.420 nan 0.000 0.216 227 P C 1.982 179.312 177.300 0.049 0.000 1.157 227 P CA 1.924 65.033 63.100 0.016 0.000 0.880 227 P CB 0.241 31.914 31.700 -0.045 0.000 0.791 228 G N -1.391 107.438 108.800 0.048 0.000 2.404 228 G HA2 -0.206 3.754 3.960 0.001 0.000 0.215 228 G HA3 -0.206 3.754 3.960 0.001 0.000 0.215 228 G C 1.461 176.397 174.900 0.060 0.000 1.174 228 G CA 1.414 46.537 45.100 0.039 0.000 0.780 228 G HN 0.190 nan 8.290 nan 0.000 0.537 229 T N -0.030 114.573 114.554 0.081 0.000 2.821 229 T HA -0.110 4.240 4.350 0.001 0.000 0.267 229 T C 2.079 176.827 174.700 0.079 0.000 1.046 229 T CA 1.274 63.401 62.100 0.045 0.000 1.139 229 T CB -0.346 68.519 68.868 -0.004 0.000 0.871 229 T HN 0.349 nan 8.240 nan 0.000 0.454 230 H N 1.997 121.081 119.070 0.024 0.000 2.353 230 H HA -0.013 4.543 4.556 0.000 0.000 0.300 230 H C 2.019 177.348 175.328 0.002 0.000 1.090 230 H CA 1.453 57.513 56.048 0.021 0.000 1.327 230 H CB -0.341 29.446 29.762 0.041 0.000 1.383 230 H HN 0.174 nan 8.280 nan 0.000 0.508 231 N N 0.759 119.586 118.700 0.211 0.000 2.188 231 N HA -0.096 4.645 4.740 0.001 0.000 0.184 231 N C 2.014 177.561 175.510 0.062 0.000 1.018 231 N CA 0.741 53.857 53.050 0.110 0.000 0.858 231 N CB -0.190 38.316 38.487 0.032 0.000 0.989 231 N HN 0.367 nan 8.380 nan 0.000 0.426 232 K N 0.409 120.831 120.400 0.038 0.000 2.057 232 K HA 0.002 4.323 4.320 0.001 0.000 0.206 232 K C 1.698 178.287 176.600 -0.017 0.000 1.050 232 K CA 0.638 56.925 56.287 0.000 0.000 0.935 232 K CB 0.067 32.559 32.500 -0.012 0.000 0.715 232 K HN -0.071 nan 8.250 nan 0.000 0.439 233 V N 1.691 121.595 119.914 -0.016 0.000 2.407 233 V HA -0.254 3.866 4.120 0.001 0.000 0.248 233 V C 2.242 178.312 176.094 -0.039 0.000 1.055 233 V CA 1.469 63.743 62.300 -0.044 0.000 1.049 233 V CB -0.319 31.465 31.823 -0.064 0.000 0.662 233 V HN 0.331 nan 8.190 nan 0.000 0.455 234 L N -0.216 121.009 121.223 0.003 0.000 2.056 234 L HA -0.194 4.147 4.340 0.001 0.000 0.207 234 L C 2.643 179.508 176.870 -0.009 0.000 1.078 234 L CA 1.934 56.785 54.840 0.017 0.000 0.749 234 L CB -0.347 41.763 42.059 0.085 0.000 0.901 234 L HN 0.285 nan 8.230 nan 0.000 0.433 235 K N -0.445 119.949 120.400 -0.011 0.000 2.097 235 K HA -0.192 4.128 4.320 0.001 0.000 0.206 235 K C 1.823 178.385 176.600 -0.063 0.000 1.049 235 K CA 1.439 57.709 56.287 -0.028 0.000 0.933 235 K CB 0.050 32.536 32.500 -0.024 0.000 0.717 235 K HN 0.303 nan 8.250 nan 0.000 0.442 236 N N 0.334 118.981 118.700 -0.088 0.000 2.171 236 N HA -0.109 4.631 4.740 0.001 0.000 0.184 236 N C 1.720 177.108 175.510 -0.203 0.000 1.021 236 N CA 1.015 53.972 53.050 -0.156 0.000 0.854 236 N CB -0.135 38.251 38.487 -0.169 0.000 0.994 236 N HN -0.006 nan 8.380 nan 0.000 0.426 237 V N 1.272 121.098 119.914 -0.146 0.000 2.515 237 V HA -0.121 3.999 4.120 0.001 0.000 0.250 237 V C 2.278 178.324 176.094 -0.080 0.000 1.058 237 V CA 1.654 63.878 62.300 -0.128 0.000 1.064 237 V CB -0.772 31.015 31.823 -0.060 0.000 0.675 237 V HN 0.270 nan 8.190 nan 0.000 0.461 238 A N -0.268 122.520 122.820 -0.054 0.000 1.874 238 A HA -0.027 4.294 4.320 0.001 0.000 0.214 238 A C 2.166 179.738 177.584 -0.020 0.000 1.189 238 A CA 1.239 53.263 52.037 -0.022 0.000 0.615 238 A CB -0.429 18.565 19.000 -0.010 0.000 0.830 238 A HN 0.460 nan 8.150 nan 0.000 0.443 239 L N -0.985 120.210 121.223 -0.047 0.000 2.131 239 L HA -0.137 4.203 4.340 0.001 0.000 0.210 239 L C 2.759 179.614 176.870 -0.026 0.000 1.092 239 L CA 1.668 56.487 54.840 -0.035 0.000 0.759 239 L CB -0.588 41.431 42.059 -0.068 0.000 0.903 239 L HN 0.372 nan 8.230 nan 0.000 0.435 240 T N -1.015 113.473 114.554 -0.109 0.000 2.812 240 T HA -0.113 4.237 4.350 0.001 0.000 0.264 240 T C 2.038 176.784 174.700 0.076 0.000 1.042 240 T CA 1.070 63.097 62.100 -0.122 0.000 1.140 240 T CB 0.097 68.650 68.868 -0.526 0.000 0.870 240 T HN 0.106 nan 8.240 nan 0.000 0.445 241 R N 0.894 121.426 120.500 0.052 0.000 2.090 241 R HA 0.190 4.530 4.340 0.001 0.000 0.228 241 R C 2.798 179.165 176.300 0.111 0.000 1.110 241 R CA 0.847 57.012 56.100 0.108 0.000 0.973 241 R CB -0.770 29.571 30.300 0.069 0.000 0.869 241 R HN 0.188 nan 8.270 nan 0.000 0.440 242 S N -0.229 115.524 115.700 0.088 0.000 2.370 242 S HA -0.201 4.269 4.470 0.001 0.000 0.226 242 S C 1.530 176.195 174.600 0.108 0.000 1.033 242 S CA 1.399 59.648 58.200 0.082 0.000 1.011 242 S CB -0.411 62.831 63.200 0.070 0.000 0.852 242 S HN 0.368 nan 8.310 nan 0.000 0.457 243 Y N 1.854 122.175 120.300 0.035 0.000 2.200 243 Y HA -0.038 4.512 4.550 0.000 0.000 0.290 243 Y C 1.927 177.876 175.900 0.081 0.000 1.137 243 Y CA 1.110 59.237 58.100 0.044 0.000 1.163 243 Y CB -0.361 38.122 38.460 0.039 0.000 0.988 243 Y HN 0.193 nan 8.280 nan 0.000 0.518 244 I N -0.229 120.463 120.570 0.203 0.000 2.361 244 I HA -0.334 3.836 4.170 0.001 0.000 0.251 244 I C 2.330 178.484 176.117 0.062 0.000 1.133 244 I CA 1.367 62.794 61.300 0.210 0.000 1.413 244 I CB -0.358 37.830 38.000 0.313 0.000 1.073 244 I HN 0.218 nan 8.210 nan 0.000 0.424 245 R N 0.704 121.226 120.500 0.035 0.000 2.066 245 R HA -0.135 4.206 4.340 0.001 0.000 0.232 245 R C 2.175 178.457 176.300 -0.030 0.000 1.131 245 R CA 1.293 57.402 56.100 0.014 0.000 0.955 245 R CB -0.315 30.002 30.300 0.028 0.000 0.851 245 R HN 0.408 nan 8.270 nan 0.000 0.432 246 E N 0.714 120.864 120.200 -0.083 0.000 2.070 246 E HA -0.217 4.133 4.350 0.001 0.000 0.197 246 E C 1.921 178.451 176.600 -0.117 0.000 1.004 246 E CA 1.114 57.450 56.400 -0.106 0.000 0.805 246 E CB 0.017 29.612 29.700 -0.175 0.000 0.744 246 E HN 0.103 nan 8.360 nan 0.000 0.451 247 K N 0.519 120.785 120.400 -0.224 0.000 2.103 247 K HA -0.113 4.207 4.320 0.001 0.000 0.207 247 K C 2.180 178.766 176.600 -0.025 0.000 1.048 247 K CA 0.708 56.892 56.287 -0.170 0.000 0.930 247 K CB -0.546 31.732 32.500 -0.370 0.000 0.716 247 K HN 0.081 nan 8.250 nan 0.000 0.444 248 V N 1.404 121.300 119.914 -0.031 0.000 2.379 248 V HA -0.188 3.933 4.120 0.001 0.000 0.245 248 V C 2.241 178.385 176.094 0.084 0.000 1.044 248 V CA 1.548 63.853 62.300 0.009 0.000 1.036 248 V CB -0.296 31.543 31.823 0.027 0.000 0.664 248 V HN 0.309 nan 8.190 nan 0.000 0.453 249 K N -0.162 120.273 120.400 0.058 0.000 2.097 249 K HA -0.159 4.161 4.320 0.001 0.000 0.205 249 K C 2.130 178.777 176.600 0.079 0.000 1.050 249 K CA 1.447 57.771 56.287 0.062 0.000 0.938 249 K CB -0.149 32.372 32.500 0.034 0.000 0.718 249 K HN 0.548 nan 8.250 nan 0.000 0.442 250 E N -0.183 120.069 120.200 0.087 0.000 2.110 250 E HA -0.185 4.165 4.350 0.001 0.000 0.193 250 E C 1.915 178.586 176.600 0.117 0.000 0.988 250 E CA 1.157 57.607 56.400 0.083 0.000 0.804 250 E CB -0.071 29.666 29.700 0.061 0.000 0.745 250 E HN 0.371 nan 8.360 nan 0.000 0.458 251 H N 0.888 119.974 119.070 0.027 0.000 2.276 251 H HA -0.055 4.502 4.556 0.002 0.000 0.301 251 H C 2.174 177.533 175.328 0.051 0.000 1.073 251 H CA 1.418 57.498 56.048 0.053 0.000 1.311 251 H CB -0.206 29.612 29.762 0.093 0.000 1.379 251 H HN 0.110 nan 8.280 nan 0.000 0.494 252 Q N -0.085 119.830 119.800 0.192 0.000 2.096 252 Q HA -0.141 4.199 4.340 0.001 0.000 0.208 252 Q C 1.628 177.672 176.000 0.074 0.000 0.993 252 Q CA 1.323 57.198 55.803 0.119 0.000 0.862 252 Q CB -0.197 28.602 28.738 0.101 0.000 0.915 252 Q HN 0.444 nan 8.270 nan 0.000 0.416 253 A N -0.170 122.686 122.820 0.061 0.000 2.324 253 A HA 0.111 4.431 4.320 0.001 0.000 0.240 253 A C 1.059 178.655 177.584 0.020 0.000 1.347 253 A CA 0.740 52.799 52.037 0.036 0.000 1.036 253 A CB -0.015 19.003 19.000 0.029 0.000 0.917 253 A HN 0.180 nan 8.150 nan 0.000 0.519 254 S N -1.754 113.959 115.700 0.022 0.000 2.474 254 S HA 0.052 4.523 4.470 0.001 0.000 0.223 254 S C -0.224 174.379 174.600 0.005 0.000 0.880 254 S CA -0.401 57.798 58.200 -0.002 0.000 1.579 254 S CB -0.849 62.330 63.200 -0.035 0.000 1.264 254 S HN 0.564 nan 8.310 nan 0.000 0.616 255 L N 3.525 124.769 121.223 0.035 0.000 2.513 255 L HA 0.478 4.818 4.340 0.001 0.000 0.272 255 L C -0.357 176.530 176.870 0.029 0.000 1.187 255 L CA 1.041 55.909 54.840 0.048 0.000 0.895 255 L CB 0.714 42.818 42.059 0.075 0.000 1.147 255 L HN 0.177 nan 8.230 nan 0.000 0.483 256 D N 3.933 124.348 120.400 0.025 0.000 2.434 256 D HA 0.028 4.669 4.640 0.001 0.000 0.275 256 D C 1.061 177.372 176.300 0.018 0.000 1.172 256 D CA -0.131 53.878 54.000 0.015 0.000 0.916 256 D CB 0.865 41.669 40.800 0.006 0.000 1.041 256 D HN 0.443 nan 8.370 nan 0.000 0.501 257 V N 4.013 123.938 119.914 0.019 0.000 2.428 257 V HA -0.285 3.835 4.120 0.001 0.000 0.255 257 V C 1.344 177.441 176.094 0.005 0.000 1.080 257 V CA 1.946 64.255 62.300 0.014 0.000 1.083 257 V CB -0.354 31.473 31.823 0.006 0.000 0.665 257 V HN 0.498 nan 8.190 nan 0.000 0.461 258 N N 2.044 120.745 118.700 0.002 0.000 2.573 258 N HA -0.033 4.707 4.740 0.001 0.000 0.187 258 N C -0.054 175.455 175.510 -0.001 0.000 1.107 258 N CA 1.117 54.166 53.050 -0.003 0.000 0.918 258 N CB -0.345 38.139 38.487 -0.004 0.000 0.966 258 N HN 0.929 nan 8.380 nan 0.000 0.448 259 N N -0.587 118.116 118.700 0.005 0.000 3.127 259 N HA 0.186 4.926 4.740 0.001 0.000 0.239 259 N C -3.498 172.023 175.510 0.019 0.000 1.200 259 N CA -0.876 52.179 53.050 0.008 0.000 0.924 259 N CB 0.740 39.230 38.487 0.005 0.000 1.583 259 N HN -0.223 nan 8.380 nan 0.000 0.645 260 P HA 0.338 nan 4.420 nan 0.000 0.271 260 P C 0.400 177.730 177.300 0.050 0.000 1.218 260 P CA -0.324 62.803 63.100 0.045 0.000 0.780 260 P CB 1.338 33.058 31.700 0.033 0.000 0.901 261 R N 0.928 121.473 120.500 0.075 0.000 2.250 261 R HA 0.158 4.498 4.340 0.001 0.000 0.194 261 R C -0.027 176.338 176.300 0.109 0.000 0.927 261 R CA 0.495 56.639 56.100 0.073 0.000 1.052 261 R CB 0.191 30.525 30.300 0.057 0.000 1.055 261 R HN 0.637 nan 8.270 nan 0.000 0.537 262 D N -2.566 117.928 120.400 0.157 0.000 2.851 262 D HA -0.050 4.591 4.640 0.001 0.000 0.339 262 D C 0.136 176.560 176.300 0.207 0.000 1.347 262 D CA -0.803 53.310 54.000 0.188 0.000 0.888 262 D CB -0.238 40.722 40.800 0.266 0.000 1.431 262 D HN -0.188 nan 8.370 nan 0.000 0.509 263 F N 0.315 120.312 119.950 0.080 0.000 2.126 263 F HA -0.032 4.495 4.527 0.000 0.000 0.299 263 F C 1.953 177.876 175.800 0.206 0.000 1.096 263 F CA 1.547 59.610 58.000 0.105 0.000 1.255 263 F CB -0.115 38.898 39.000 0.022 0.000 0.997 263 F HN 0.323 nan 8.300 nan 0.000 0.479 264 I N -0.024 120.767 120.570 0.369 0.000 2.142 264 I HA -0.337 3.834 4.170 0.001 0.000 0.240 264 I C 2.078 178.360 176.117 0.275 0.000 1.078 264 I CA 1.619 63.081 61.300 0.270 0.000 1.343 264 I CB -0.635 37.359 38.000 -0.011 0.000 1.046 264 I HN 0.073 nan 8.210 nan 0.000 0.405 265 D N 0.611 121.187 120.400 0.294 0.000 2.133 265 D HA -0.191 4.450 4.640 0.001 0.000 0.195 265 D C 2.187 178.589 176.300 0.171 0.000 0.997 265 D CA 1.391 55.531 54.000 0.232 0.000 0.840 265 D CB -0.451 40.463 40.800 0.190 0.000 0.947 265 D HN 0.403 nan 8.370 nan 0.000 0.452 266 C N -0.069 119.316 119.300 0.143 0.000 2.437 266 C HA -0.043 4.417 4.460 0.001 0.000 0.283 266 C C 2.361 177.526 174.990 0.292 0.000 1.424 266 C CA -0.308 58.788 59.018 0.129 0.000 1.782 266 C CB -1.465 26.253 27.740 -0.036 0.000 1.833 266 C HN 0.215 nan 8.230 nan 0.000 0.532 267 F N 0.861 120.887 119.950 0.127 0.000 2.262 267 F HA 0.124 4.651 4.527 0.000 0.000 0.292 267 F C 2.121 177.896 175.800 -0.041 0.000 1.081 267 F CA 1.091 59.069 58.000 -0.036 0.000 1.355 267 F CB -0.209 38.808 39.000 0.029 0.000 1.069 267 F HN 0.045 nan 8.300 nan 0.000 0.506 268 L N 0.015 121.381 121.223 0.239 0.000 1.989 268 L HA -0.271 4.069 4.340 0.001 0.000 0.211 268 L C 2.375 179.260 176.870 0.025 0.000 1.071 268 L CA 1.666 56.593 54.840 0.145 0.000 0.749 268 L CB -0.922 41.230 42.059 0.155 0.000 0.890 268 L HN 0.135 nan 8.230 nan 0.000 0.431 269 I N 0.107 120.690 120.570 0.021 0.000 2.151 269 I HA -0.338 3.832 4.170 0.001 0.000 0.243 269 I C 2.687 178.734 176.117 -0.117 0.000 1.080 269 I CA 1.437 62.721 61.300 -0.026 0.000 1.339 269 I CB -0.343 37.656 38.000 -0.003 0.000 1.039 269 I HN 0.213 nan 8.210 nan 0.000 0.409 270 K N 1.073 121.343 120.400 -0.217 0.000 2.147 270 K HA -0.133 4.188 4.320 0.001 0.000 0.205 270 K C 2.007 178.325 176.600 -0.469 0.000 1.049 270 K CA 1.649 57.654 56.287 -0.469 0.000 0.936 270 K CB -0.157 31.788 32.500 -0.925 0.000 0.722 270 K HN 0.245 nan 8.250 nan 0.000 0.446 271 M N -0.294 119.119 119.600 -0.312 0.000 2.123 271 M HA -0.094 4.386 4.480 0.001 0.000 0.263 271 M C 2.007 178.257 176.300 -0.083 0.000 1.069 271 M CA 1.743 56.956 55.300 -0.144 0.000 1.133 271 M CB -0.343 32.252 32.600 -0.007 0.000 1.356 271 M HN 0.141 nan 8.290 nan 0.000 0.415 272 E N 0.753 120.916 120.200 -0.062 0.000 2.333 272 E HA -0.227 4.123 4.350 0.001 0.000 0.198 272 E C 1.837 178.402 176.600 -0.058 0.000 1.007 272 E CA 1.127 57.504 56.400 -0.038 0.000 0.845 272 E CB -0.088 29.599 29.700 -0.021 0.000 0.766 272 E HN 0.494 nan 8.360 nan 0.000 0.507 273 Q N -0.421 119.318 119.800 -0.102 0.000 2.398 273 Q HA -0.033 4.307 4.340 0.001 0.000 0.204 273 Q C 0.416 176.355 176.000 -0.103 0.000 0.932 273 Q CA 0.656 56.394 55.803 -0.109 0.000 0.916 273 Q CB 0.423 29.069 28.738 -0.154 0.000 1.024 273 Q HN 0.147 nan 8.270 nan 0.000 0.504 274 E N 0.058 120.196 120.200 -0.103 0.000 2.651 274 E HA 0.045 4.396 4.350 0.001 0.000 0.208 274 E C 0.420 177.009 176.600 -0.018 0.000 0.997 274 E CA -0.106 56.259 56.400 -0.057 0.000 1.020 274 E CB 0.679 30.350 29.700 -0.049 0.000 1.052 274 E HN 0.264 nan 8.360 nan 0.000 0.465 275 K N 1.246 121.634 120.400 -0.021 0.000 1.991 275 K HA -0.121 4.199 4.320 0.001 0.000 0.212 275 K C 0.345 176.947 176.600 0.004 0.000 1.049 275 K CA 1.345 57.631 56.287 -0.003 0.000 0.932 275 K CB 0.170 32.667 32.500 -0.005 0.000 0.717 275 K HN -0.069 nan 8.250 nan 0.000 0.441 276 D N 1.355 121.754 120.400 -0.002 0.000 3.032 276 D HA -0.011 4.629 4.640 0.001 0.000 0.241 276 D C -0.539 175.763 176.300 0.003 0.000 1.196 276 D CA 0.298 54.299 54.000 0.002 0.000 0.927 276 D CB -0.344 40.455 40.800 -0.002 0.000 1.129 276 D HN 0.159 nan 8.370 nan 0.000 0.458 277 N N 1.570 120.275 118.700 0.009 0.000 2.648 277 N HA -0.018 4.722 4.740 0.001 0.000 0.261 277 N C 1.074 176.596 175.510 0.021 0.000 1.138 277 N CA -0.288 52.771 53.050 0.014 0.000 0.804 277 N CB 1.005 39.502 38.487 0.016 0.000 1.237 277 N HN -0.190 nan 8.380 nan 0.000 0.532 278 Q N 1.491 121.301 119.800 0.018 0.000 2.156 278 Q HA -0.190 4.151 4.340 0.001 0.000 0.211 278 Q C -0.040 175.974 176.000 0.023 0.000 0.995 278 Q CA 1.747 57.561 55.803 0.019 0.000 0.877 278 Q CB -0.160 28.588 28.738 0.016 0.000 0.920 278 Q HN 0.607 nan 8.270 nan 0.000 0.416 279 K N 0.020 120.435 120.400 0.024 0.000 3.016 279 K HA 0.347 4.667 4.320 0.001 0.000 0.226 279 K C -0.374 176.246 176.600 0.033 0.000 1.245 279 K CA -0.143 56.159 56.287 0.024 0.000 1.174 279 K CB 0.892 33.404 32.500 0.021 0.000 1.572 279 K HN -0.186 nan 8.250 nan 0.000 0.462 280 S N 1.147 116.872 115.700 0.043 0.000 2.475 280 S HA 0.101 4.571 4.470 0.001 0.000 0.281 280 S C 0.660 175.278 174.600 0.030 0.000 1.198 280 S CA -0.608 57.637 58.200 0.075 0.000 1.063 280 S CB 0.648 63.904 63.200 0.094 0.000 0.972 280 S HN 0.414 nan 8.310 nan 0.000 0.486 281 E N 3.556 123.729 120.200 -0.046 0.000 2.358 281 E HA 0.011 4.361 4.350 0.001 0.000 0.195 281 E C -0.468 175.888 176.600 -0.405 0.000 1.010 281 E CA 0.516 56.761 56.400 -0.259 0.000 0.856 281 E CB -0.021 29.424 29.700 -0.424 0.000 0.795 281 E HN 0.700 nan 8.360 nan 0.000 0.504 282 F N 2.783 122.678 119.950 -0.091 0.000 2.515 282 F HA 0.138 4.665 4.527 0.001 0.000 0.353 282 F C 0.628 176.448 175.800 0.034 0.000 1.213 282 F CA -0.800 57.098 58.000 -0.169 0.000 1.194 282 F CB -0.269 38.378 39.000 -0.588 0.000 1.488 282 F HN -0.090 nan 8.300 nan 0.000 0.619 283 N N 0.210 119.070 118.700 0.267 0.000 2.577 283 N HA 0.417 5.158 4.740 0.001 0.000 0.285 283 N C 0.538 176.198 175.510 0.251 0.000 1.309 283 N CA -0.858 52.322 53.050 0.216 0.000 0.798 283 N CB 0.924 39.478 38.487 0.112 0.000 1.463 283 N HN 0.008 nan 8.380 nan 0.000 0.518 284 I N -0.484 120.180 120.570 0.158 0.000 2.361 284 I HA -0.140 4.030 4.170 0.001 0.000 0.251 284 I C 1.565 177.710 176.117 0.047 0.000 1.133 284 I CA 1.360 62.720 61.300 0.100 0.000 1.413 284 I CB -1.150 36.898 38.000 0.079 0.000 1.073 284 I HN 0.659 nan 8.210 nan 0.000 0.424 285 E N 1.107 121.340 120.200 0.055 0.000 2.072 285 E HA -0.125 4.225 4.350 0.001 0.000 0.191 285 E C 1.947 178.557 176.600 0.017 0.000 0.985 285 E CA 0.928 57.349 56.400 0.035 0.000 0.801 285 E CB -0.200 29.523 29.700 0.039 0.000 0.750 285 E HN 0.401 nan 8.360 nan 0.000 0.452 286 N N -0.143 118.572 118.700 0.025 0.000 2.416 286 N HA -0.073 4.667 4.740 0.001 0.000 0.177 286 N C 1.610 177.040 175.510 -0.133 0.000 1.036 286 N CA 0.233 53.288 53.050 0.007 0.000 0.901 286 N CB 0.107 38.626 38.487 0.052 0.000 0.976 286 N HN 0.134 nan 8.380 nan 0.000 0.444 287 L N 0.995 122.018 121.223 -0.332 0.000 2.072 287 L HA -0.011 4.329 4.340 0.001 0.000 0.205 287 L C 1.971 178.654 176.870 -0.312 0.000 1.079 287 L CA 1.317 55.648 54.840 -0.849 0.000 0.752 287 L CB -0.672 40.845 42.059 -0.905 0.000 0.906 287 L HN -0.181 nan 8.230 nan 0.000 0.436 288 V N 0.390 120.229 119.914 -0.124 0.000 2.343 288 V HA -0.187 3.933 4.120 0.001 0.000 0.247 288 V C 2.641 178.755 176.094 0.034 0.000 1.051 288 V CA 1.780 64.080 62.300 -0.001 0.000 1.036 288 V CB -1.672 30.174 31.823 0.038 0.000 0.654 288 V HN 0.623 nan 8.190 nan 0.000 0.451 289 G N -1.221 107.589 108.800 0.016 0.000 2.418 289 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 289 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 289 G C 1.780 176.708 174.900 0.046 0.000 1.158 289 G CA 1.493 46.623 45.100 0.050 0.000 0.771 289 G HN 0.432 nan 8.290 nan 0.000 0.545 290 T N -0.196 114.360 114.554 0.003 0.000 2.915 290 T HA -0.029 4.321 4.350 0.001 0.000 0.269 290 T C 2.446 177.094 174.700 -0.087 0.000 1.071 290 T CA 1.300 63.405 62.100 0.009 0.000 1.132 290 T CB -0.143 68.778 68.868 0.089 0.000 0.878 290 T HN 0.012 nan 8.240 nan 0.000 0.479 291 V N 1.360 121.222 119.914 -0.087 0.000 2.379 291 V HA 0.015 4.135 4.120 0.001 0.000 0.245 291 V C 2.936 179.044 176.094 0.024 0.000 1.044 291 V CA 1.624 63.840 62.300 -0.140 0.000 1.036 291 V CB -1.040 30.784 31.823 0.002 0.000 0.664 291 V HN 0.576 nan 8.190 nan 0.000 0.453 292 A N -0.190 122.741 122.820 0.184 0.000 1.933 292 A HA -0.232 4.088 4.320 0.001 0.000 0.218 292 A C 1.892 179.598 177.584 0.203 0.000 1.175 292 A CA 1.957 54.202 52.037 0.347 0.000 0.628 292 A CB -0.556 18.663 19.000 0.365 0.000 0.814 292 A HN 0.535 nan 8.150 nan 0.000 0.444 293 D N -0.061 120.396 120.400 0.095 0.000 2.219 293 D HA -0.059 4.581 4.640 0.001 0.000 0.205 293 D C 1.821 178.101 176.300 -0.032 0.000 0.970 293 D CA 0.704 54.738 54.000 0.057 0.000 0.851 293 D CB -0.207 40.627 40.800 0.056 0.000 0.943 293 D HN 0.483 nan 8.370 nan 0.000 0.488 294 L N -0.813 120.312 121.223 -0.163 0.000 2.109 294 L HA -0.062 4.278 4.340 0.001 0.000 0.207 294 L C 2.119 178.801 176.870 -0.315 0.000 1.086 294 L CA 0.648 55.310 54.840 -0.297 0.000 0.760 294 L CB -0.360 41.380 42.059 -0.533 0.000 0.910 294 L HN -0.023 nan 8.230 nan 0.000 0.437 295 F N -0.507 119.248 119.950 -0.324 0.000 2.084 295 F HA -0.211 4.316 4.527 0.000 0.000 0.296 295 F C 2.464 178.051 175.800 -0.354 0.000 1.111 295 F CA 1.311 59.028 58.000 -0.471 0.000 1.224 295 F CB -0.688 37.690 39.000 -1.037 0.000 0.991 295 F HN -0.256 nan 8.300 nan 0.000 0.471 296 V N 0.174 120.057 119.914 -0.052 0.000 2.233 296 V HA -0.352 3.768 4.120 0.001 0.000 0.247 296 V C 2.449 178.593 176.094 0.083 0.000 1.050 296 V CA 2.115 64.469 62.300 0.090 0.000 1.010 296 V CB -1.333 30.611 31.823 0.203 0.000 0.637 296 V HN 0.382 nan 8.190 nan 0.000 0.444 297 A N -0.521 122.334 122.820 0.059 0.000 2.168 297 A HA 0.179 4.499 4.320 0.001 0.000 0.215 297 A C 2.004 179.611 177.584 0.039 0.000 1.152 297 A CA 1.386 53.464 52.037 0.068 0.000 0.716 297 A CB -0.450 18.592 19.000 0.070 0.000 0.794 297 A HN 0.615 nan 8.150 nan 0.000 0.465 298 G N -2.790 106.003 108.800 -0.011 0.000 3.274 298 G HA2 0.256 4.216 3.960 0.001 0.000 0.250 298 G HA3 0.256 4.216 3.960 0.001 0.000 0.250 298 G C 1.031 175.920 174.900 -0.019 0.000 1.024 298 G CA 0.950 46.040 45.100 -0.017 0.000 0.840 298 G HN 0.307 nan 8.290 nan 0.000 0.522 299 T N 0.495 115.029 114.554 -0.034 0.000 2.914 299 T HA 0.044 4.394 4.350 0.001 0.000 0.240 299 T C 2.023 176.666 174.700 -0.095 0.000 1.025 299 T CA 0.987 63.066 62.100 -0.035 0.000 1.198 299 T CB 0.060 68.915 68.868 -0.021 0.000 0.892 299 T HN 0.138 nan 8.240 nan 0.000 0.417 300 E N 1.112 121.191 120.200 -0.201 0.000 2.160 300 E HA -0.125 4.225 4.350 0.001 0.000 0.195 300 E C 2.319 178.757 176.600 -0.270 0.000 0.991 300 E CA 1.708 57.861 56.400 -0.411 0.000 0.810 300 E CB -0.449 28.620 29.700 -1.052 0.000 0.742 300 E HN 0.665 nan 8.360 nan 0.000 0.466 301 T N -2.383 112.092 114.554 -0.131 0.000 2.643 301 T HA -0.228 4.122 4.350 0.001 0.000 0.264 301 T C 2.160 176.863 174.700 0.005 0.000 1.045 301 T CA 2.208 64.289 62.100 -0.031 0.000 1.155 301 T CB -1.248 67.637 68.868 0.028 0.000 0.863 301 T HN 0.315 nan 8.240 nan 0.000 0.420 302 T N 0.181 114.754 114.554 0.031 0.000 2.904 302 T HA -0.052 4.299 4.350 0.001 0.000 0.267 302 T C 2.302 177.038 174.700 0.061 0.000 1.059 302 T CA 1.610 63.758 62.100 0.079 0.000 1.137 302 T CB -0.741 68.205 68.868 0.130 0.000 0.879 302 T HN 0.426 nan 8.240 nan 0.000 0.467 303 S N 0.594 116.296 115.700 0.002 0.000 2.368 303 S HA -0.129 4.342 4.470 0.001 0.000 0.225 303 S C 2.208 176.805 174.600 -0.004 0.000 1.030 303 S CA 2.106 60.288 58.200 -0.030 0.000 0.999 303 S CB -1.211 61.935 63.200 -0.090 0.000 0.844 303 S HN 0.692 nan 8.310 nan 0.000 0.459 304 T N 1.287 115.834 114.554 -0.011 0.000 2.777 304 T HA -0.057 4.294 4.350 0.001 0.000 0.266 304 T C 1.939 176.721 174.700 0.136 0.000 1.040 304 T CA 1.865 63.991 62.100 0.043 0.000 1.141 304 T CB -0.901 67.986 68.868 0.031 0.000 0.868 304 T HN 0.517 nan 8.240 nan 0.000 0.444 305 T N 2.480 117.106 114.554 0.120 0.000 2.708 305 T HA 0.051 4.402 4.350 0.001 0.000 0.266 305 T C 1.973 176.775 174.700 0.170 0.000 1.037 305 T CA 0.723 62.912 62.100 0.149 0.000 1.146 305 T CB -0.510 68.414 68.868 0.093 0.000 0.865 305 T HN 0.179 nan 8.240 nan 0.000 0.435 306 L N 0.527 121.834 121.223 0.140 0.000 1.978 306 L HA -0.220 4.120 4.340 0.001 0.000 0.218 306 L C 2.929 179.898 176.870 0.165 0.000 1.075 306 L CA 1.822 56.746 54.840 0.140 0.000 0.767 306 L CB -0.393 41.718 42.059 0.086 0.000 0.890 306 L HN 0.200 nan 8.230 nan 0.000 0.434 307 R N -1.187 119.407 120.500 0.156 0.000 2.091 307 R HA -0.257 4.084 4.340 0.001 0.000 0.238 307 R C 2.323 178.803 176.300 0.301 0.000 1.136 307 R CA 1.866 58.092 56.100 0.211 0.000 0.959 307 R CB -0.467 29.911 30.300 0.130 0.000 0.856 307 R HN 0.423 nan 8.270 nan 0.000 0.437 308 Y N -0.457 119.920 120.300 0.130 0.000 2.439 308 Y HA -0.062 4.488 4.550 0.000 0.000 0.292 308 Y C 2.040 177.956 175.900 0.028 0.000 1.130 308 Y CA 0.534 58.689 58.100 0.091 0.000 1.254 308 Y CB 0.111 38.630 38.460 0.099 0.000 1.000 308 Y HN 0.277 nan 8.280 nan 0.000 0.554 309 G N 0.069 109.013 108.800 0.241 0.000 2.394 309 G HA2 -0.214 3.746 3.960 0.001 0.000 0.214 309 G HA3 -0.214 3.746 3.960 0.001 0.000 0.214 309 G C 1.475 176.420 174.900 0.075 0.000 1.176 309 G CA 0.649 45.822 45.100 0.122 0.000 0.786 309 G HN 0.341 nan 8.290 nan 0.000 0.533 310 L N -0.061 121.239 121.223 0.128 0.000 2.191 310 L HA -0.016 4.325 4.340 0.001 0.000 0.212 310 L C 2.634 179.480 176.870 -0.039 0.000 1.103 310 L CA 0.424 55.329 54.840 0.108 0.000 0.769 310 L CB -0.248 41.949 42.059 0.230 0.000 0.908 310 L HN 0.248 nan 8.230 nan 0.000 0.438 311 L N -0.681 120.450 121.223 -0.153 0.000 2.156 311 L HA -0.128 4.213 4.340 0.001 0.000 0.208 311 L C 2.156 178.846 176.870 -0.301 0.000 1.095 311 L CA 1.528 56.066 54.840 -0.503 0.000 0.770 311 L CB -0.143 41.474 42.059 -0.737 0.000 0.914 311 L HN 0.107 nan 8.230 nan 0.000 0.439 312 L N -1.250 119.834 121.223 -0.231 0.000 2.179 312 L HA -0.116 4.224 4.340 0.001 0.000 0.208 312 L C 2.302 179.020 176.870 -0.253 0.000 1.096 312 L CA 0.750 55.341 54.840 -0.415 0.000 0.779 312 L CB -0.362 41.157 42.059 -0.901 0.000 0.922 312 L HN 0.284 nan 8.230 nan 0.000 0.443 313 L N -0.745 120.398 121.223 -0.132 0.000 2.217 313 L HA -0.174 4.166 4.340 0.001 0.000 0.211 313 L C 2.403 179.262 176.870 -0.019 0.000 1.107 313 L CA 0.766 55.603 54.840 -0.004 0.000 0.783 313 L CB -0.251 41.835 42.059 0.045 0.000 0.919 313 L HN 0.296 nan 8.230 nan 0.000 0.442 314 L N 0.165 121.330 121.223 -0.097 0.000 2.109 314 L HA -0.178 4.162 4.340 0.001 0.000 0.207 314 L C 2.549 179.335 176.870 -0.140 0.000 1.086 314 L CA 1.115 55.883 54.840 -0.121 0.000 0.760 314 L CB -0.031 41.917 42.059 -0.186 0.000 0.910 314 L HN 0.200 nan 8.230 nan 0.000 0.437 315 K N -0.805 119.481 120.400 -0.190 0.000 2.296 315 K HA -0.052 4.268 4.320 0.001 0.000 0.200 315 K C 0.294 176.616 176.600 -0.463 0.000 1.048 315 K CA 0.982 57.081 56.287 -0.315 0.000 0.966 315 K CB 0.095 32.378 32.500 -0.361 0.000 0.754 315 K HN 0.311 nan 8.250 nan 0.000 0.466 316 H N -0.019 119.005 119.070 -0.078 0.000 2.541 316 H HA 0.205 4.761 4.556 0.000 0.000 0.246 316 H C -2.223 173.128 175.328 0.038 0.000 1.341 316 H CA -1.935 54.120 56.048 0.011 0.000 1.469 316 H CB 1.592 31.409 29.762 0.092 0.000 1.472 316 H HN 0.074 nan 8.280 nan 0.000 0.503 317 P HA -0.190 nan 4.420 nan 0.000 0.220 317 P C 1.789 179.146 177.300 0.095 0.000 1.148 317 P CA 0.993 64.132 63.100 0.066 0.000 0.803 317 P CB 0.473 32.187 31.700 0.024 0.000 0.782 318 E N 0.169 120.438 120.200 0.114 0.000 2.077 318 E HA -0.114 4.236 4.350 0.001 0.000 0.193 318 E C 1.906 178.591 176.600 0.142 0.000 0.989 318 E CA 1.341 57.803 56.400 0.103 0.000 0.800 318 E CB -1.538 28.222 29.700 0.100 0.000 0.746 318 E HN 0.073 nan 8.360 nan 0.000 0.452 319 V N 2.066 122.123 119.914 0.239 0.000 2.287 319 V HA -0.249 3.872 4.120 0.001 0.000 0.248 319 V C 2.577 178.856 176.094 0.307 0.000 1.053 319 V CA 2.455 64.972 62.300 0.360 0.000 1.027 319 V CB -1.007 31.040 31.823 0.373 0.000 0.646 319 V HN 0.377 nan 8.190 nan 0.000 0.447 320 T N 0.190 114.870 114.554 0.210 0.000 2.833 320 T HA -0.131 4.220 4.350 0.001 0.000 0.269 320 T C 2.013 176.785 174.700 0.120 0.000 1.054 320 T CA 1.443 63.638 62.100 0.158 0.000 1.135 320 T CB -0.388 68.550 68.868 0.116 0.000 0.869 320 T HN 0.575 nan 8.240 nan 0.000 0.466 321 A N 1.693 124.568 122.820 0.091 0.000 1.873 321 A HA -0.077 4.243 4.320 0.001 0.000 0.215 321 A C 2.224 179.824 177.584 0.026 0.000 1.186 321 A CA 1.929 53.995 52.037 0.049 0.000 0.616 321 A CB -0.528 18.488 19.000 0.028 0.000 0.823 321 A HN 0.429 nan 8.150 nan 0.000 0.442 322 K N -0.464 119.934 120.400 -0.004 0.000 2.147 322 K HA -0.058 4.262 4.320 0.001 0.000 0.205 322 K C 1.686 178.289 176.600 0.006 0.000 1.049 322 K CA 1.426 57.634 56.287 -0.132 0.000 0.936 322 K CB -0.259 31.931 32.500 -0.516 0.000 0.722 322 K HN 0.208 nan 8.250 nan 0.000 0.446 323 V N 1.136 121.157 119.914 0.179 0.000 2.307 323 V HA -0.239 3.881 4.120 0.001 0.000 0.245 323 V C 2.108 178.273 176.094 0.117 0.000 1.045 323 V CA 1.825 64.259 62.300 0.223 0.000 1.024 323 V CB -0.456 31.502 31.823 0.224 0.000 0.651 323 V HN 0.414 nan 8.190 nan 0.000 0.449 324 Q N -0.477 119.376 119.800 0.088 0.000 2.291 324 Q HA -0.211 4.129 4.340 0.001 0.000 0.205 324 Q C 2.232 178.263 176.000 0.051 0.000 0.970 324 Q CA 1.359 57.199 55.803 0.060 0.000 0.876 324 Q CB -0.101 28.670 28.738 0.055 0.000 0.935 324 Q HN 0.709 nan 8.270 nan 0.000 0.455 325 E N 1.384 121.610 120.200 0.043 0.000 2.015 325 E HA -0.214 4.137 4.350 0.001 0.000 0.191 325 E C 1.664 178.312 176.600 0.079 0.000 0.991 325 E CA 0.947 57.366 56.400 0.032 0.000 0.802 325 E CB 0.156 29.846 29.700 -0.016 0.000 0.759 325 E HN 0.345 nan 8.360 nan 0.000 0.447 326 E N 0.311 120.570 120.200 0.098 0.000 2.110 326 E HA -0.189 4.161 4.350 0.001 0.000 0.193 326 E C 2.247 178.929 176.600 0.136 0.000 0.988 326 E CA 0.929 57.426 56.400 0.161 0.000 0.804 326 E CB -0.088 29.721 29.700 0.182 0.000 0.745 326 E HN 0.393 nan 8.360 nan 0.000 0.458 327 I N 1.134 121.759 120.570 0.092 0.000 2.226 327 I HA -0.266 3.905 4.170 0.001 0.000 0.245 327 I C 2.179 178.326 176.117 0.049 0.000 1.100 327 I CA 1.115 62.448 61.300 0.055 0.000 1.374 327 I CB -0.176 37.840 38.000 0.026 0.000 1.057 327 I HN 0.052 nan 8.210 nan 0.000 0.413 328 D N -0.021 120.414 120.400 0.059 0.000 2.097 328 D HA -0.249 4.391 4.640 0.001 0.000 0.197 328 D C 2.113 178.461 176.300 0.080 0.000 0.984 328 D CA 1.339 55.367 54.000 0.048 0.000 0.826 328 D CB -0.106 40.719 40.800 0.041 0.000 0.973 328 D HN 0.323 nan 8.370 nan 0.000 0.460 329 H N -0.711 118.367 119.070 0.013 0.000 2.421 329 H HA -0.007 4.549 4.556 0.001 0.000 0.298 329 H C 1.597 176.938 175.328 0.021 0.000 1.087 329 H CA 1.591 57.647 56.048 0.014 0.000 1.330 329 H CB 0.025 29.796 29.762 0.016 0.000 1.388 329 H HN 0.058 nan 8.280 nan 0.000 0.526 330 V N -0.609 119.215 119.914 -0.150 0.000 2.908 330 V HA 0.051 4.172 4.120 0.001 0.000 0.240 330 V C 2.177 178.238 176.094 -0.056 0.000 1.117 330 V CA 0.989 63.178 62.300 -0.185 0.000 1.133 330 V CB 0.197 31.992 31.823 -0.048 0.000 0.857 330 V HN 0.321 nan 8.190 nan 0.000 0.478 331 I N 0.167 120.736 120.570 -0.001 0.000 3.462 331 I HA 0.414 4.585 4.170 0.001 0.000 0.290 331 I C 1.299 177.423 176.117 0.012 0.000 1.236 331 I CA 0.839 62.151 61.300 0.021 0.000 1.418 331 I CB -0.315 37.706 38.000 0.035 0.000 1.102 331 I HN 0.427 nan 8.210 nan 0.000 0.441 332 G N 2.731 111.531 108.800 0.000 0.000 2.880 332 G HA2 -0.265 3.695 3.960 0.001 0.000 0.617 332 G HA3 -0.265 3.695 3.960 0.001 0.000 0.617 332 G C 0.352 175.233 174.900 -0.032 0.000 1.493 332 G CA -0.171 44.922 45.100 -0.010 0.000 0.916 332 G HN 0.552 nan 8.290 nan 0.000 0.553 333 R N 0.011 120.448 120.500 -0.105 0.000 2.721 333 R HA 0.273 4.614 4.340 0.001 0.000 0.296 333 R C 0.754 176.927 176.300 -0.212 0.000 1.174 333 R CA 0.496 56.501 56.100 -0.159 0.000 1.129 333 R CB 0.036 30.216 30.300 -0.200 0.000 1.316 333 R HN 0.760 nan 8.270 nan 0.000 0.571 334 H N 0.366 119.437 119.070 0.003 0.000 3.170 334 H HA 0.208 4.765 4.556 0.001 0.000 0.264 334 H C 0.096 175.428 175.328 0.008 0.000 1.113 334 H CA -0.443 55.607 56.048 0.003 0.000 1.194 334 H CB 0.864 30.628 29.762 0.003 0.000 1.553 334 H HN 0.233 nan 8.280 nan 0.000 0.538 335 R N -0.287 120.284 120.500 0.119 0.000 2.799 335 R HA 0.528 4.868 4.340 0.001 0.000 0.270 335 R C -1.247 175.088 176.300 0.059 0.000 1.010 335 R CA -0.811 55.337 56.100 0.079 0.000 0.916 335 R CB 1.554 31.893 30.300 0.064 0.000 1.228 335 R HN -0.143 nan 8.270 nan 0.000 0.469 336 S N 2.409 118.142 115.700 0.056 0.000 2.580 336 S HA 0.319 4.790 4.470 0.001 0.000 0.274 336 S C -1.999 172.631 174.600 0.050 0.000 1.329 336 S CA -0.924 57.308 58.200 0.054 0.000 1.036 336 S CB 0.827 64.064 63.200 0.061 0.000 0.919 336 S HN 0.543 nan 8.310 nan 0.000 0.515 337 P HA 0.429 nan 4.420 nan 0.000 0.277 337 P C -0.550 176.800 177.300 0.083 0.000 1.271 337 P CA -0.456 62.685 63.100 0.069 0.000 0.795 337 P CB 0.330 32.056 31.700 0.044 0.000 1.101 338 C N -2.164 117.213 119.300 0.128 0.000 3.320 338 C HA 0.421 4.881 4.460 0.001 0.000 0.335 338 C C 1.669 176.723 174.990 0.108 0.000 1.430 338 C CA -0.782 58.291 59.018 0.091 0.000 1.271 338 C CB 0.178 27.943 27.740 0.042 0.000 1.609 338 C HN 0.399 nan 8.230 nan 0.000 0.457 339 M N 1.000 120.597 119.600 -0.004 0.000 2.279 339 M HA -0.091 4.390 4.480 0.001 0.000 0.264 339 M C 2.124 178.313 176.300 -0.185 0.000 1.062 339 M CA 1.613 56.825 55.300 -0.147 0.000 1.099 339 M CB -1.294 31.204 32.600 -0.170 0.000 1.394 339 M HN 0.804 nan 8.290 nan 0.000 0.426 340 Q N -0.035 119.709 119.800 -0.094 0.000 2.291 340 Q HA -0.161 4.179 4.340 0.001 0.000 0.206 340 Q C 1.307 177.220 176.000 -0.146 0.000 0.976 340 Q CA 0.987 56.721 55.803 -0.114 0.000 0.875 340 Q CB -0.210 28.509 28.738 -0.032 0.000 0.927 340 Q HN 0.563 nan 8.270 nan 0.000 0.450 341 D N 0.662 121.052 120.400 -0.017 0.000 2.178 341 D HA -0.128 4.513 4.640 0.001 0.000 0.202 341 D C 1.775 178.087 176.300 0.020 0.000 0.974 341 D CA 0.593 54.648 54.000 0.092 0.000 0.841 341 D CB -0.159 40.775 40.800 0.224 0.000 0.953 341 D HN 0.187 nan 8.370 nan 0.000 0.478 342 R N 1.100 121.497 120.500 -0.171 0.000 2.170 342 R HA -0.140 4.200 4.340 0.001 0.000 0.242 342 R C 2.082 178.197 176.300 -0.310 0.000 1.145 342 R CA 1.537 57.379 56.100 -0.430 0.000 0.984 342 R CB 0.007 29.582 30.300 -1.208 0.000 0.869 342 R HN 0.165 nan 8.270 nan 0.000 0.455 343 S N -1.507 113.973 115.700 -0.367 0.000 2.461 343 S HA -0.094 4.377 4.470 0.001 0.000 0.228 343 S C 1.083 175.530 174.600 -0.254 0.000 1.005 343 S CA 0.812 58.796 58.200 -0.361 0.000 0.942 343 S CB -0.203 62.721 63.200 -0.461 0.000 0.776 343 S HN 0.594 nan 8.310 nan 0.000 0.514 344 H N 0.078 119.146 119.070 -0.004 0.000 2.586 344 H HA 0.439 4.995 4.556 0.000 0.000 0.273 344 H C 0.135 175.509 175.328 0.077 0.000 0.997 344 H CA -0.058 56.009 56.048 0.031 0.000 1.177 344 H CB 0.136 29.904 29.762 0.010 0.000 1.471 344 H HN 0.359 nan 8.280 nan 0.000 0.538 345 M N 2.382 122.080 119.600 0.164 0.000 2.999 345 M HA 0.176 4.656 4.480 0.001 0.000 0.206 345 M C -1.908 174.498 176.300 0.177 0.000 1.111 345 M CA -1.589 53.836 55.300 0.208 0.000 0.946 345 M CB 1.141 33.912 32.600 0.285 0.000 1.330 345 M HN 0.006 nan 8.290 nan 0.000 0.533 346 P HA -0.235 nan 4.420 nan 0.000 0.217 346 P C 1.046 178.504 177.300 0.262 0.000 1.148 346 P CA 1.657 64.870 63.100 0.188 0.000 0.828 346 P CB 0.078 31.903 31.700 0.208 0.000 0.783 347 Y N 1.167 121.555 120.300 0.148 0.000 2.206 347 Y HA -0.089 4.461 4.550 0.000 0.000 0.292 347 Y C 2.474 178.464 175.900 0.149 0.000 1.123 347 Y CA 1.992 60.176 58.100 0.140 0.000 1.142 347 Y CB -0.969 37.554 38.460 0.105 0.000 1.006 347 Y HN -0.131 nan 8.280 nan 0.000 0.518 348 T N -0.046 114.656 114.554 0.248 0.000 2.720 348 T HA -0.222 4.128 4.350 0.001 0.000 0.268 348 T C 1.396 176.185 174.700 0.149 0.000 1.037 348 T CA 1.829 64.029 62.100 0.168 0.000 1.144 348 T CB -0.477 68.509 68.868 0.196 0.000 0.864 348 T HN 0.394 nan 8.240 nan 0.000 0.444 349 D N 1.002 121.492 120.400 0.150 0.000 2.097 349 D HA -0.030 4.610 4.640 0.001 0.000 0.195 349 D C 2.202 178.573 176.300 0.117 0.000 0.989 349 D CA 1.195 55.209 54.000 0.022 0.000 0.827 349 D CB -0.301 40.240 40.800 -0.432 0.000 0.966 349 D HN 0.353 nan 8.370 nan 0.000 0.456 350 A N -0.334 122.581 122.820 0.158 0.000 2.015 350 A HA -0.072 4.248 4.320 0.001 0.000 0.219 350 A C 2.389 179.974 177.584 0.002 0.000 1.163 350 A CA 1.189 53.341 52.037 0.190 0.000 0.646 350 A CB -0.515 18.594 19.000 0.182 0.000 0.806 350 A HN 0.222 nan 8.150 nan 0.000 0.448 351 V N -0.492 119.361 119.914 -0.103 0.000 2.358 351 V HA -0.195 3.925 4.120 0.001 0.000 0.246 351 V C 2.530 178.656 176.094 0.053 0.000 1.047 351 V CA 1.936 64.186 62.300 -0.085 0.000 1.035 351 V CB -0.648 31.135 31.823 -0.066 0.000 0.658 351 V HN 0.379 nan 8.190 nan 0.000 0.452 352 V N -0.398 119.552 119.914 0.061 0.000 2.427 352 V HA -0.239 3.881 4.120 0.001 0.000 0.248 352 V C 2.307 178.376 176.094 -0.042 0.000 1.051 352 V CA 2.015 64.346 62.300 0.051 0.000 1.048 352 V CB -0.918 30.946 31.823 0.069 0.000 0.666 352 V HN 0.588 nan 8.190 nan 0.000 0.456 353 H N 0.066 118.986 119.070 -0.249 0.000 2.357 353 H HA -0.143 4.413 4.556 0.001 0.000 0.301 353 H C 2.327 177.554 175.328 -0.169 0.000 1.082 353 H CA 1.861 57.553 56.048 -0.593 0.000 1.342 353 H CB -0.019 28.644 29.762 -1.831 0.000 1.389 353 H HN 0.437 nan 8.280 nan 0.000 0.511 354 E N 0.682 120.966 120.200 0.140 0.000 2.150 354 E HA -0.088 4.263 4.350 0.001 0.000 0.193 354 E C 1.989 178.770 176.600 0.303 0.000 0.985 354 E CA 0.723 57.341 56.400 0.364 0.000 0.814 354 E CB -0.302 29.415 29.700 0.029 0.000 0.752 354 E HN 0.459 nan 8.360 nan 0.000 0.466 355 I N 0.545 121.298 120.570 0.305 0.000 2.163 355 I HA -0.351 3.820 4.170 0.001 0.000 0.243 355 I C 2.452 178.672 176.117 0.172 0.000 1.085 355 I CA 1.575 63.059 61.300 0.305 0.000 1.347 355 I CB -0.280 37.840 38.000 0.200 0.000 1.044 355 I HN 0.271 nan 8.210 nan 0.000 0.408 356 Q N -0.231 119.662 119.800 0.156 0.000 2.123 356 Q HA -0.184 4.156 4.340 0.001 0.000 0.199 356 Q C 2.343 178.374 176.000 0.051 0.000 0.966 356 Q CA 0.916 56.762 55.803 0.071 0.000 0.845 356 Q CB -0.130 28.650 28.738 0.071 0.000 0.907 356 Q HN 0.413 nan 8.270 nan 0.000 0.439 357 R N -0.070 120.541 120.500 0.185 0.000 2.073 357 R HA -0.192 4.148 4.340 0.001 0.000 0.234 357 R C 2.069 178.327 176.300 -0.070 0.000 1.134 357 R CA 1.420 57.544 56.100 0.039 0.000 0.952 357 R CB -0.260 30.075 30.300 0.058 0.000 0.850 357 R HN 0.270 nan 8.270 nan 0.000 0.433 358 Y N 1.091 121.354 120.300 -0.061 0.000 2.184 358 Y HA -0.184 4.367 4.550 0.000 0.000 0.290 358 Y C 2.599 178.434 175.900 -0.108 0.000 1.129 358 Y CA 2.016 60.096 58.100 -0.033 0.000 1.144 358 Y CB -0.148 38.391 38.460 0.133 0.000 0.995 358 Y HN 0.227 nan 8.280 nan 0.000 0.513 359 S N -0.499 115.136 115.700 -0.107 0.000 2.447 359 S HA -0.179 4.291 4.470 0.001 0.000 0.233 359 S C 0.893 175.438 174.600 -0.092 0.000 1.006 359 S CA 0.878 58.835 58.200 -0.404 0.000 0.957 359 S CB -0.659 62.296 63.200 -0.409 0.000 0.773 359 S HN 0.606 nan 8.310 nan 0.000 0.507 360 D N 0.358 120.728 120.400 -0.050 0.000 2.779 360 D HA -0.175 4.466 4.640 0.001 0.000 0.223 360 D C 0.436 176.748 176.300 0.019 0.000 1.227 360 D CA 0.604 54.603 54.000 -0.002 0.000 0.653 360 D CB -1.521 39.339 40.800 0.100 0.000 0.973 360 D HN 0.393 nan 8.370 nan 0.000 0.402 361 L N 0.942 122.168 121.223 0.006 0.000 2.064 361 L HA -0.174 4.167 4.340 0.001 0.000 0.216 361 L C 0.891 177.790 176.870 0.048 0.000 1.077 361 L CA 1.786 56.652 54.840 0.043 0.000 0.766 361 L CB 0.135 42.193 42.059 -0.002 0.000 0.890 361 L HN 0.277 nan 8.230 nan 0.000 0.435 362 V N -0.228 119.694 119.914 0.013 0.000 2.315 362 V HA 0.226 4.347 4.120 0.001 0.000 0.265 362 V C -1.529 174.578 176.094 0.021 0.000 1.019 362 V CA -0.920 61.396 62.300 0.027 0.000 0.824 362 V CB 0.660 32.497 31.823 0.023 0.000 1.072 362 V HN 0.104 nan 8.190 nan 0.000 0.448 363 P HA -0.212 nan 4.420 nan 0.000 0.216 363 P C 1.753 179.087 177.300 0.056 0.000 1.157 363 P CA 2.265 65.387 63.100 0.037 0.000 0.880 363 P CB 0.157 31.869 31.700 0.021 0.000 0.791 364 T N -5.441 109.149 114.554 0.061 0.000 3.065 364 T HA 0.419 4.769 4.350 0.001 0.000 0.252 364 T C 0.993 175.720 174.700 0.046 0.000 1.099 364 T CA 0.330 62.486 62.100 0.093 0.000 1.063 364 T CB -0.721 68.219 68.868 0.120 0.000 0.948 364 T HN 0.367 nan 8.240 nan 0.000 0.506 365 G N 0.619 109.435 108.800 0.027 0.000 2.796 365 G HA2 -0.074 3.887 3.960 0.001 0.000 0.571 365 G HA3 -0.074 3.887 3.960 0.001 0.000 0.571 365 G C -0.713 174.199 174.900 0.021 0.000 1.370 365 G CA -0.570 44.533 45.100 0.006 0.000 0.856 365 G HN 0.708 nan 8.290 nan 0.000 0.538 366 V N 3.270 123.205 119.914 0.035 0.000 2.465 366 V HA 0.503 4.624 4.120 0.001 0.000 0.279 366 V C -1.104 175.036 176.094 0.077 0.000 1.045 366 V CA -0.676 61.666 62.300 0.070 0.000 0.938 366 V CB 1.439 33.329 31.823 0.112 0.000 0.986 366 V HN 0.789 nan 8.190 nan 0.000 0.467 367 P HA 0.147 nan 4.420 nan 0.000 0.266 367 P C -0.469 176.946 177.300 0.192 0.000 1.195 367 P CA 0.291 63.421 63.100 0.050 0.000 0.768 367 P CB 0.670 32.368 31.700 -0.003 0.000 0.838 368 H N 0.000 119.038 119.070 -0.054 0.000 2.915 368 H HA 0.764 5.321 4.556 0.001 0.000 0.298 368 H C -0.565 174.702 175.328 -0.103 0.000 1.516 368 H CA -1.367 54.637 56.048 -0.073 0.000 1.480 368 H CB 2.060 31.806 29.762 -0.025 0.000 1.847 368 H HN 0.539 nan 8.280 nan 0.000 0.806 369 A N 0.990 123.812 122.820 0.004 0.000 2.488 369 A HA 0.382 4.703 4.320 0.001 0.000 0.295 369 A C -0.787 176.713 177.584 -0.139 0.000 1.045 369 A CA -0.716 51.267 52.037 -0.091 0.000 0.703 369 A CB 0.786 19.722 19.000 -0.106 0.000 1.271 369 A HN 0.447 nan 8.150 nan 0.000 0.400 370 V N 1.393 121.180 119.914 -0.212 0.000 2.637 370 V HA 0.434 4.555 4.120 0.001 0.000 0.296 370 V C 1.291 177.284 176.094 -0.169 0.000 1.046 370 V CA 0.677 62.809 62.300 -0.280 0.000 1.066 370 V CB 0.231 31.794 31.823 -0.434 0.000 0.968 370 V HN 1.262 nan 8.190 nan 0.000 0.483 371 T N 1.059 115.537 114.554 -0.126 0.000 2.962 371 T HA 0.069 4.420 4.350 0.001 0.000 0.270 371 T C 0.791 175.456 174.700 -0.057 0.000 1.088 371 T CA 1.053 63.108 62.100 -0.074 0.000 1.127 371 T CB -0.556 68.292 68.868 -0.034 0.000 0.883 371 T HN 1.306 nan 8.240 nan 0.000 0.493 372 T N -1.821 112.694 114.554 -0.066 0.000 2.731 372 T HA 0.360 4.710 4.350 0.001 0.000 0.300 372 T C -1.694 172.974 174.700 -0.053 0.000 1.283 372 T CA -1.101 60.974 62.100 -0.043 0.000 1.005 372 T CB 1.220 70.079 68.868 -0.015 0.000 1.420 372 T HN 0.012 nan 8.240 nan 0.000 0.503 373 D N 1.442 121.824 120.400 -0.029 0.000 2.506 373 D HA 0.331 4.971 4.640 0.001 0.000 0.234 373 D C -0.264 176.030 176.300 -0.010 0.000 1.143 373 D CA 0.842 54.830 54.000 -0.019 0.000 0.871 373 D CB 0.736 41.537 40.800 0.001 0.000 1.190 373 D HN 0.572 nan 8.370 nan 0.000 0.459 374 T N 1.576 116.130 114.554 0.001 0.000 2.909 374 T HA 0.289 4.639 4.350 0.001 0.000 0.299 374 T C -0.204 174.575 174.700 0.131 0.000 1.073 374 T CA -0.816 61.313 62.100 0.049 0.000 0.999 374 T CB 2.237 71.090 68.868 -0.026 0.000 1.098 374 T HN 0.211 nan 8.240 nan 0.000 0.477 375 K N 2.445 122.946 120.400 0.168 0.000 2.389 375 K HA 0.469 4.789 4.320 0.001 0.000 0.261 375 K C -1.479 175.279 176.600 0.263 0.000 1.014 375 K CA -0.624 55.772 56.287 0.181 0.000 0.920 375 K CB 0.367 32.923 32.500 0.093 0.000 1.149 375 K HN 0.497 nan 8.250 nan 0.000 0.444 376 F N 6.399 126.490 119.950 0.235 0.000 2.307 376 F HA 0.323 4.850 4.527 0.001 0.000 0.369 376 F C 0.258 176.211 175.800 0.255 0.000 1.076 376 F CA 0.036 58.204 58.000 0.281 0.000 1.149 376 F CB 0.035 39.311 39.000 0.460 0.000 1.410 376 F HN 0.837 nan 8.300 nan 0.000 0.481 377 R N 1.090 121.522 120.500 -0.113 0.000 4.031 377 R HA -0.333 4.007 4.340 0.001 0.000 0.308 377 R C 0.741 176.982 176.300 -0.098 0.000 0.242 377 R CA 1.416 57.455 56.100 -0.103 0.000 1.038 377 R CB -1.138 29.141 30.300 -0.036 0.000 1.023 377 R HN 0.517 nan 8.270 nan 0.000 0.549 378 N N 1.029 119.559 118.700 -0.285 0.000 2.521 378 N HA 0.026 4.766 4.740 0.001 0.000 0.188 378 N C -0.171 174.989 175.510 -0.584 0.000 1.146 378 N CA 1.022 53.757 53.050 -0.525 0.000 0.893 378 N CB 0.143 38.159 38.487 -0.785 0.000 0.975 378 N HN 0.205 nan 8.380 nan 0.000 0.451 379 Y N -0.067 120.307 120.300 0.124 0.000 2.598 379 Y HA 0.556 5.106 4.550 0.001 0.000 0.340 379 Y C -0.194 175.780 175.900 0.123 0.000 1.038 379 Y CA -1.335 56.836 58.100 0.118 0.000 1.100 379 Y CB 1.082 39.619 38.460 0.128 0.000 1.281 379 Y HN -0.248 nan 8.280 nan 0.000 0.488 380 L N 2.700 124.072 121.223 0.248 0.000 2.333 380 L HA 0.627 4.967 4.340 0.001 0.000 0.280 380 L C -1.400 175.541 176.870 0.118 0.000 1.004 380 L CA -0.635 54.298 54.840 0.155 0.000 0.820 380 L CB 0.852 42.967 42.059 0.094 0.000 1.247 380 L HN 0.566 nan 8.230 nan 0.000 0.416 381 I N 7.840 128.462 120.570 0.087 0.000 2.328 381 I HA 0.374 4.544 4.170 0.001 0.000 0.287 381 I C -2.025 174.069 176.117 -0.039 0.000 1.012 381 I CA -1.877 59.423 61.300 0.001 0.000 1.195 381 I CB 1.650 39.631 38.000 -0.031 0.000 1.350 381 I HN 0.499 nan 8.210 nan 0.000 0.464 382 P HA -0.016 nan 4.420 nan 0.000 0.268 382 P C -0.474 176.782 177.300 -0.073 0.000 1.204 382 P CA -0.317 62.757 63.100 -0.044 0.000 0.768 382 P CB 0.710 32.392 31.700 -0.029 0.000 0.842 383 K N 2.354 122.717 120.400 -0.062 0.000 2.586 383 K HA -0.011 4.310 4.320 0.001 0.000 0.280 383 K C 1.303 177.857 176.600 -0.077 0.000 0.972 383 K CA 1.279 57.523 56.287 -0.073 0.000 1.040 383 K CB -0.699 31.772 32.500 -0.047 0.000 0.870 383 K HN 0.782 nan 8.250 nan 0.000 0.497 384 G N 2.123 110.867 108.800 -0.093 0.000 2.284 384 G HA2 -0.282 3.678 3.960 0.001 0.000 0.247 384 G HA3 -0.282 3.678 3.960 0.001 0.000 0.247 384 G C 0.222 175.059 174.900 -0.106 0.000 1.012 384 G CA 0.468 45.516 45.100 -0.087 0.000 0.618 384 G HN 0.743 nan 8.290 nan 0.000 0.521 385 T N 2.735 117.213 114.554 -0.125 0.000 2.934 385 T HA 0.412 4.762 4.350 0.001 0.000 0.306 385 T C 0.778 175.375 174.700 -0.171 0.000 1.042 385 T CA 1.067 63.074 62.100 -0.155 0.000 1.145 385 T CB 0.863 69.626 68.868 -0.176 0.000 0.982 385 T HN 0.324 nan 8.240 nan 0.000 0.544 386 T N 5.065 119.509 114.554 -0.183 0.000 2.884 386 T HA 0.338 4.689 4.350 0.001 0.000 0.298 386 T C 0.219 174.800 174.700 -0.198 0.000 0.998 386 T CA -0.418 61.579 62.100 -0.173 0.000 1.124 386 T CB 0.145 68.900 68.868 -0.187 0.000 0.931 386 T HN 0.273 nan 8.240 nan 0.000 0.531 387 I N 3.468 123.968 120.570 -0.116 0.000 2.509 387 I HA 0.459 4.629 4.170 0.001 0.000 0.293 387 I C -0.110 175.952 176.117 -0.093 0.000 1.020 387 I CA -0.844 60.414 61.300 -0.070 0.000 1.088 387 I CB 1.780 39.852 38.000 0.119 0.000 1.267 387 I HN 0.578 nan 8.210 nan 0.000 0.430 388 M N 4.609 124.124 119.600 -0.141 0.000 2.106 388 M HA 0.504 4.985 4.480 0.001 0.000 0.288 388 M C -0.664 175.582 176.300 -0.089 0.000 0.941 388 M CA -0.529 54.691 55.300 -0.133 0.000 0.934 388 M CB 2.263 34.775 32.600 -0.145 0.000 1.551 388 M HN 0.676 nan 8.290 nan 0.000 0.437 389 A N 5.346 128.115 122.820 -0.084 0.000 2.341 389 A HA 0.560 4.880 4.320 0.001 0.000 0.326 389 A C -0.138 177.426 177.584 -0.034 0.000 1.402 389 A CA -0.581 51.425 52.037 -0.052 0.000 0.957 389 A CB 0.076 18.991 19.000 -0.142 0.000 1.151 389 A HN 0.937 nan 8.150 nan 0.000 0.533 390 L N 4.489 125.720 121.223 0.012 0.000 2.699 390 L HA -0.017 4.323 4.340 0.001 0.000 0.283 390 L C 1.022 177.906 176.870 0.023 0.000 1.166 390 L CA -0.125 54.749 54.840 0.056 0.000 1.043 390 L CB -0.227 41.914 42.059 0.137 0.000 1.369 390 L HN 0.781 nan 8.230 nan 0.000 0.462 391 L N 1.562 122.797 121.223 0.020 0.000 2.261 391 L HA -0.182 4.158 4.340 0.001 0.000 0.216 391 L C 2.355 179.262 176.870 0.061 0.000 1.114 391 L CA 1.218 56.069 54.840 0.019 0.000 0.777 391 L CB -0.813 41.243 42.059 -0.005 0.000 0.910 391 L HN 0.698 nan 8.230 nan 0.000 0.440 392 T N -1.422 113.182 114.554 0.083 0.000 2.777 392 T HA -0.162 4.188 4.350 0.001 0.000 0.266 392 T C 2.085 176.889 174.700 0.174 0.000 1.040 392 T CA 1.426 63.617 62.100 0.151 0.000 1.141 392 T CB -0.452 68.464 68.868 0.079 0.000 0.868 392 T HN 0.526 nan 8.240 nan 0.000 0.444 393 S N 1.365 117.095 115.700 0.050 0.000 2.442 393 S HA -0.061 4.409 4.470 0.001 0.000 0.236 393 S C 1.990 176.625 174.600 0.058 0.000 1.007 393 S CA 0.707 58.868 58.200 -0.064 0.000 0.965 393 S CB -0.861 61.995 63.200 -0.573 0.000 0.773 393 S HN 0.381 nan 8.310 nan 0.000 0.504 394 V N 1.876 121.857 119.914 0.111 0.000 2.326 394 V HA 0.083 4.204 4.120 0.001 0.000 0.238 394 V C 2.451 178.757 176.094 0.354 0.000 1.038 394 V CA 1.118 63.546 62.300 0.213 0.000 1.032 394 V CB -0.920 30.992 31.823 0.149 0.000 0.675 394 V HN 0.413 nan 8.190 nan 0.000 0.467 395 L N -0.137 121.218 121.223 0.221 0.000 2.261 395 L HA -0.183 4.157 4.340 0.001 0.000 0.216 395 L C 1.660 178.436 176.870 -0.156 0.000 1.114 395 L CA 1.613 56.482 54.840 0.049 0.000 0.777 395 L CB -0.619 41.383 42.059 -0.094 0.000 0.910 395 L HN 0.507 nan 8.230 nan 0.000 0.440 396 H N -2.065 117.077 119.070 0.120 0.000 2.486 396 H HA 0.126 4.682 4.556 0.001 0.000 0.284 396 H C -0.299 175.119 175.328 0.151 0.000 1.103 396 H CA -0.700 55.401 56.048 0.089 0.000 1.089 396 H CB 0.083 29.866 29.762 0.035 0.000 1.603 396 H HN 0.121 nan 8.280 nan 0.000 0.557 397 D N 1.325 121.909 120.400 0.306 0.000 2.412 397 D HA -0.074 4.566 4.640 0.001 0.000 0.257 397 D C 0.888 177.254 176.300 0.109 0.000 1.217 397 D CA -0.051 54.082 54.000 0.221 0.000 0.897 397 D CB 0.773 41.743 40.800 0.284 0.000 1.132 397 D HN 0.370 nan 8.370 nan 0.000 0.493 398 D N 3.128 123.586 120.400 0.097 0.000 2.309 398 D HA -0.195 4.446 4.640 0.001 0.000 0.212 398 D C 1.097 177.385 176.300 -0.020 0.000 0.968 398 D CA 1.225 55.258 54.000 0.055 0.000 0.882 398 D CB 0.044 40.888 40.800 0.073 0.000 0.918 398 D HN 0.414 nan 8.370 nan 0.000 0.503 399 K N -0.617 119.740 120.400 -0.071 0.000 2.168 399 K HA 0.004 4.324 4.320 0.001 0.000 0.201 399 K C 1.921 178.327 176.600 -0.323 0.000 1.049 399 K CA 0.678 56.880 56.287 -0.140 0.000 0.974 399 K CB 0.178 32.621 32.500 -0.096 0.000 0.792 399 K HN -0.018 nan 8.250 nan 0.000 0.463 400 E N 0.130 119.996 120.200 -0.557 0.000 2.208 400 E HA -0.063 4.288 4.350 0.001 0.000 0.193 400 E C -0.513 175.382 176.600 -1.174 0.000 0.988 400 E CA 0.977 56.729 56.400 -1.080 0.000 0.828 400 E CB 0.225 28.761 29.700 -1.940 0.000 0.763 400 E HN 0.128 nan 8.360 nan 0.000 0.478 401 F N 0.550 120.265 119.950 -0.392 0.000 2.809 401 F HA 0.380 4.907 4.527 0.001 0.000 0.369 401 F C -2.264 173.376 175.800 -0.268 0.000 1.225 401 F CA -2.724 54.975 58.000 -0.500 0.000 1.201 401 F CB 1.644 40.156 39.000 -0.813 0.000 1.527 401 F HN -0.216 nan 8.300 nan 0.000 0.565 402 P HA -0.093 nan 4.420 nan 0.000 0.263 402 P C -0.201 177.227 177.300 0.214 0.000 1.175 402 P CA 0.545 63.703 63.100 0.097 0.000 0.761 402 P CB 0.321 32.062 31.700 0.068 0.000 0.794 403 N N 1.888 120.677 118.700 0.149 0.000 2.642 403 N HA -0.143 4.598 4.740 0.001 0.000 0.269 403 N C -1.448 174.199 175.510 0.229 0.000 1.073 403 N CA 0.349 53.502 53.050 0.172 0.000 0.748 403 N CB -0.691 37.889 38.487 0.155 0.000 0.894 403 N HN 0.452 nan 8.380 nan 0.000 0.548 404 P HA -0.090 nan 4.420 nan 0.000 0.226 404 P C 0.696 178.123 177.300 0.211 0.000 1.153 404 P CA 0.938 64.084 63.100 0.076 0.000 0.777 404 P CB 0.400 32.164 31.700 0.107 0.000 0.794 405 N N 0.442 119.301 118.700 0.266 0.000 2.424 405 N HA 0.064 4.805 4.740 0.001 0.000 0.178 405 N C 1.214 176.996 175.510 0.454 0.000 1.060 405 N CA 0.163 53.400 53.050 0.312 0.000 0.901 405 N CB 0.112 38.725 38.487 0.210 0.000 0.979 405 N HN 0.384 nan 8.380 nan 0.000 0.451 406 I N -1.868 118.920 120.570 0.362 0.000 2.440 406 I HA 0.311 4.481 4.170 0.001 0.000 0.294 406 I C -0.327 175.963 176.117 0.289 0.000 0.995 406 I CA -0.861 60.627 61.300 0.314 0.000 1.306 406 I CB 0.697 38.810 38.000 0.189 0.000 1.407 406 I HN -0.259 nan 8.210 nan 0.000 0.501 407 F N 6.046 125.941 119.950 -0.092 0.000 2.434 407 F HA 0.377 4.905 4.527 0.000 0.000 0.358 407 F C -0.544 175.067 175.800 -0.316 0.000 1.136 407 F CA 0.064 57.848 58.000 -0.360 0.000 1.157 407 F CB 0.163 38.681 39.000 -0.803 0.000 1.167 407 F HN 0.585 nan 8.300 nan 0.000 0.539 408 D N 8.408 128.388 120.400 -0.701 0.000 2.602 408 D HA 0.314 4.955 4.640 0.001 0.000 0.245 408 D C -2.347 173.543 176.300 -0.684 0.000 1.325 408 D CA -2.222 51.368 54.000 -0.683 0.000 0.952 408 D CB 2.369 42.817 40.800 -0.585 0.000 1.317 408 D HN 0.168 nan 8.370 nan 0.000 0.577 409 P HA 0.033 nan 4.420 nan 0.000 0.226 409 P C 1.281 178.462 177.300 -0.199 0.000 1.146 409 P CA 0.726 63.602 63.100 -0.373 0.000 0.773 409 P CB 0.337 31.737 31.700 -0.500 0.000 0.772 410 G N -1.477 107.167 108.800 -0.260 0.000 2.559 410 G HA2 -0.222 3.738 3.960 0.001 0.000 0.216 410 G HA3 -0.222 3.738 3.960 0.001 0.000 0.216 410 G C 0.996 175.775 174.900 -0.202 0.000 1.126 410 G CA 0.319 45.308 45.100 -0.185 0.000 0.778 410 G HN 0.396 nan 8.290 nan 0.000 0.543 411 H N -1.426 117.510 119.070 -0.224 0.000 2.561 411 H HA 0.104 4.660 4.556 0.000 0.000 0.278 411 H C 0.589 175.518 175.328 -0.666 0.000 1.014 411 H CA 0.375 56.203 56.048 -0.365 0.000 1.211 411 H CB 0.108 29.581 29.762 -0.482 0.000 1.365 411 H HN 0.442 nan 8.280 nan 0.000 0.594 412 F N -0.362 119.556 119.950 -0.053 0.000 2.815 412 F HA 0.245 4.773 4.527 0.001 0.000 0.323 412 F C -0.778 174.829 175.800 -0.320 0.000 1.151 412 F CA -0.389 57.445 58.000 -0.277 0.000 1.191 412 F CB 0.842 39.667 39.000 -0.292 0.000 1.069 412 F HN -0.093 nan 8.300 nan 0.000 0.514 413 L N 1.065 122.248 121.223 -0.067 0.000 2.365 413 L HA 0.423 4.764 4.340 0.001 0.000 0.273 413 L C -0.164 176.671 176.870 -0.059 0.000 1.000 413 L CA -0.853 53.969 54.840 -0.028 0.000 0.819 413 L CB 1.253 43.334 42.059 0.037 0.000 1.284 413 L HN 0.056 nan 8.230 nan 0.000 0.418 414 D N 1.332 121.706 120.400 -0.043 0.000 2.506 414 D HA 0.145 4.785 4.640 0.001 0.000 0.272 414 D C 0.751 177.037 176.300 -0.022 0.000 1.214 414 D CA -0.492 53.480 54.000 -0.047 0.000 1.067 414 D CB 0.684 41.459 40.800 -0.042 0.000 1.117 414 D HN 0.411 nan 8.370 nan 0.000 0.578 415 K N -0.847 119.538 120.400 -0.025 0.000 2.209 415 K HA -0.098 4.222 4.320 0.001 0.000 0.204 415 K C 0.836 177.434 176.600 -0.002 0.000 1.048 415 K CA 0.824 57.101 56.287 -0.016 0.000 0.940 415 K CB -0.079 32.409 32.500 -0.020 0.000 0.729 415 K HN 0.329 nan 8.250 nan 0.000 0.451 416 N N -0.381 118.321 118.700 0.004 0.000 2.412 416 N HA -0.017 4.723 4.740 0.001 0.000 0.184 416 N C 0.859 176.386 175.510 0.029 0.000 1.101 416 N CA 1.076 54.134 53.050 0.014 0.000 0.881 416 N CB 0.939 39.435 38.487 0.016 0.000 0.969 416 N HN 0.433 nan 8.380 nan 0.000 0.459 417 G N 0.930 109.753 108.800 0.038 0.000 2.144 417 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 417 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 417 G C -0.248 174.712 174.900 0.101 0.000 0.988 417 G CA -0.373 44.770 45.100 0.071 0.000 0.659 417 G HN 0.368 nan 8.290 nan 0.000 0.522 418 N N -0.710 118.037 118.700 0.079 0.000 2.493 418 N HA 0.566 5.306 4.740 0.001 0.000 0.275 418 N C -0.136 175.444 175.510 0.117 0.000 1.186 418 N CA -0.690 52.424 53.050 0.107 0.000 0.978 418 N CB 0.830 39.363 38.487 0.077 0.000 1.184 418 N HN 0.193 nan 8.380 nan 0.000 0.487 419 F N 1.434 121.392 119.950 0.014 0.000 2.543 419 F HA 0.040 4.567 4.527 0.001 0.000 0.375 419 F C 0.510 176.296 175.800 -0.023 0.000 1.075 419 F CA 0.169 58.159 58.000 -0.018 0.000 1.225 419 F CB 0.425 39.385 39.000 -0.066 0.000 1.099 419 F HN 0.247 nan 8.300 nan 0.000 0.561 420 K N 6.733 126.660 120.400 -0.789 0.000 2.414 420 K HA 0.213 4.534 4.320 0.001 0.000 0.251 420 K C -0.568 175.620 176.600 -0.686 0.000 1.037 420 K CA -0.936 55.021 56.287 -0.551 0.000 0.980 420 K CB 0.690 33.009 32.500 -0.301 0.000 1.280 420 K HN 0.534 nan 8.250 nan 0.000 0.451 421 K N 1.592 121.685 120.400 -0.510 0.000 2.469 421 K HA 0.053 4.374 4.320 0.001 0.000 0.274 421 K C -0.770 175.788 176.600 -0.070 0.000 0.983 421 K CA 0.340 56.493 56.287 -0.224 0.000 0.974 421 K CB 0.983 33.486 32.500 0.005 0.000 0.913 421 K HN 0.437 nan 8.250 nan 0.000 0.493 422 S N 1.947 117.708 115.700 0.103 0.000 2.548 422 S HA 0.315 4.786 4.470 0.001 0.000 0.286 422 S C -0.253 174.507 174.600 0.267 0.000 1.098 422 S CA -0.797 57.485 58.200 0.136 0.000 0.930 422 S CB 1.120 64.438 63.200 0.197 0.000 1.070 422 S HN 0.664 nan 8.310 nan 0.000 0.480 423 D N 1.630 122.161 120.400 0.219 0.000 2.323 423 D HA 0.048 4.689 4.640 0.001 0.000 0.209 423 D C 0.452 176.937 176.300 0.309 0.000 0.973 423 D CA 0.925 55.075 54.000 0.250 0.000 0.874 423 D CB 0.045 40.937 40.800 0.154 0.000 0.930 423 D HN 0.614 nan 8.370 nan 0.000 0.521 424 Y N -0.461 119.856 120.300 0.029 0.000 2.529 424 Y HA 0.084 4.634 4.550 0.000 0.000 0.290 424 Y C 0.538 176.675 175.900 0.395 0.000 1.177 424 Y CA -0.589 57.603 58.100 0.152 0.000 1.305 424 Y CB -0.592 37.890 38.460 0.036 0.000 1.047 424 Y HN -0.151 nan 8.280 nan 0.000 0.522 425 F N 1.592 121.821 119.950 0.464 0.000 2.541 425 F HA 0.232 4.759 4.527 0.000 0.000 0.347 425 F C 0.418 176.402 175.800 0.306 0.000 1.242 425 F CA -0.122 58.134 58.000 0.427 0.000 1.123 425 F CB -0.136 39.164 39.000 0.501 0.000 1.354 425 F HN -0.061 nan 8.300 nan 0.000 0.621 426 M N 8.080 127.621 119.600 -0.099 0.000 2.876 426 M HA 0.159 4.640 4.480 0.001 0.000 0.367 426 M C -1.619 174.542 176.300 -0.231 0.000 1.242 426 M CA -0.981 54.262 55.300 -0.095 0.000 0.889 426 M CB 0.518 33.138 32.600 0.034 0.000 1.353 426 M HN 0.247 nan 8.290 nan 0.000 0.511 427 P HA -0.048 nan 4.420 nan 0.000 0.234 427 P C 0.475 177.470 177.300 -0.508 0.000 1.167 427 P CA 1.133 63.916 63.100 -0.527 0.000 0.763 427 P CB -0.004 31.246 31.700 -0.750 0.000 0.835 428 F N -0.567 119.307 119.950 -0.128 0.000 2.653 428 F HA 0.300 4.827 4.527 0.000 0.000 0.304 428 F C 1.265 177.071 175.800 0.010 0.000 1.092 428 F CA 0.030 58.013 58.000 -0.030 0.000 1.279 428 F CB -0.108 38.891 39.000 -0.001 0.000 1.044 428 F HN -0.112 nan 8.300 nan 0.000 0.564 429 S N 0.104 115.867 115.700 0.106 0.000 3.918 429 S HA 0.152 4.622 4.470 0.001 0.000 0.653 429 S C -0.494 174.179 174.600 0.121 0.000 1.661 429 S CA -0.325 57.929 58.200 0.091 0.000 1.805 429 S CB -0.912 62.361 63.200 0.121 0.000 0.331 429 S HN 0.951 nan 8.310 nan 0.000 1.611 430 A N 0.832 123.709 122.820 0.095 0.000 2.532 430 A HA 1.002 5.322 4.320 0.001 0.000 0.290 430 A C 0.983 178.629 177.584 0.104 0.000 1.143 430 A CA 0.604 52.698 52.037 0.095 0.000 0.728 430 A CB 0.754 19.787 19.000 0.054 0.000 1.317 430 A HN 2.969 nan 8.150 nan 0.000 0.414 431 G N 0.097 108.955 108.800 0.097 0.000 2.627 431 G HA2 -0.070 3.890 3.960 0.001 0.000 0.214 431 G HA3 -0.070 3.890 3.960 0.001 0.000 0.214 431 G C 0.260 175.253 174.900 0.155 0.000 1.331 431 G CA 0.343 45.510 45.100 0.111 0.000 0.891 431 G HN 0.983 nan 8.290 nan 0.000 0.539 432 K N -0.280 120.233 120.400 0.189 0.000 2.218 432 K HA -0.056 4.265 4.320 0.001 0.000 0.205 432 K C 2.323 179.136 176.600 0.354 0.000 1.046 432 K CA 1.844 58.281 56.287 0.249 0.000 0.933 432 K CB -0.086 32.626 32.500 0.354 0.000 0.728 432 K HN 0.372 nan 8.250 nan 0.000 0.454 433 R N 0.252 120.949 120.500 0.328 0.000 2.427 433 R HA 0.282 4.623 4.340 0.001 0.000 0.262 433 R C -0.089 176.365 176.300 0.257 0.000 0.943 433 R CA -0.222 56.074 56.100 0.326 0.000 1.081 433 R CB -0.092 30.277 30.300 0.116 0.000 1.166 433 R HN 0.142 nan 8.270 nan 0.000 0.534 434 I N 0.218 120.917 120.570 0.214 0.000 2.993 434 I HA -0.218 3.953 4.170 0.001 0.000 0.301 434 I C 0.341 176.565 176.117 0.178 0.000 1.229 434 I CA 0.162 61.573 61.300 0.185 0.000 1.435 434 I CB 0.399 38.484 38.000 0.141 0.000 1.328 434 I HN 0.248 nan 8.210 nan 0.000 0.584 435 C N 7.393 126.819 119.300 0.210 0.000 2.155 435 C HA 0.021 4.482 4.460 0.001 0.000 0.396 435 C C 1.751 176.791 174.990 0.083 0.000 1.545 435 C CA 0.132 59.269 59.018 0.197 0.000 1.442 435 C CB -1.155 26.808 27.740 0.370 0.000 2.553 435 C HN 0.920 nan 8.230 nan 0.000 0.598 436 A N 4.319 127.197 122.820 0.098 0.000 2.168 436 A HA 0.228 4.548 4.320 0.001 0.000 0.215 436 A C 1.711 179.296 177.584 0.003 0.000 1.152 436 A CA 1.283 53.356 52.037 0.060 0.000 0.716 436 A CB -0.266 18.795 19.000 0.101 0.000 0.794 436 A HN 1.451 nan 8.150 nan 0.000 0.465 437 G N -0.920 107.872 108.800 -0.014 0.000 4.144 437 G HA2 0.298 4.259 3.960 0.001 0.000 0.297 437 G HA3 0.298 4.259 3.960 0.001 0.000 0.297 437 G C 0.648 175.460 174.900 -0.147 0.000 1.090 437 G CA 0.606 45.672 45.100 -0.056 0.000 0.870 437 G HN 0.523 nan 8.290 nan 0.000 0.532 438 E N 0.452 120.452 120.200 -0.333 0.000 2.049 438 E HA -0.128 4.222 4.350 0.001 0.000 0.198 438 E C 2.489 178.803 176.600 -0.476 0.000 1.007 438 E CA 1.701 57.609 56.400 -0.820 0.000 0.809 438 E CB -0.380 28.762 29.700 -0.930 0.000 0.749 438 E HN 0.272 nan 8.360 nan 0.000 0.450 439 G N 1.274 109.905 108.800 -0.281 0.000 2.476 439 G HA2 -0.296 3.664 3.960 0.001 0.000 0.218 439 G HA3 -0.296 3.664 3.960 0.001 0.000 0.218 439 G C 1.513 176.329 174.900 -0.140 0.000 1.164 439 G CA 1.038 46.026 45.100 -0.186 0.000 0.768 439 G HN 0.341 nan 8.290 nan 0.000 0.560 440 L N 1.385 122.537 121.223 -0.117 0.000 2.083 440 L HA 0.199 4.540 4.340 0.001 0.000 0.209 440 L C 3.016 179.863 176.870 -0.039 0.000 1.083 440 L CA 1.978 56.767 54.840 -0.085 0.000 0.752 440 L CB -0.902 41.112 42.059 -0.075 0.000 0.899 440 L HN 0.258 nan 8.230 nan 0.000 0.433 441 A N -0.020 122.797 122.820 -0.006 0.000 1.835 441 A HA -0.221 4.099 4.320 0.001 0.000 0.215 441 A C 2.352 180.018 177.584 0.137 0.000 1.199 441 A CA 1.846 53.958 52.037 0.125 0.000 0.615 441 A CB -0.643 18.543 19.000 0.310 0.000 0.838 441 A HN 0.490 nan 8.150 nan 0.000 0.444 442 R N -1.213 119.341 120.500 0.090 0.000 2.249 442 R HA -0.076 4.265 4.340 0.001 0.000 0.230 442 R C 2.106 178.423 176.300 0.029 0.000 1.121 442 R CA 1.389 57.536 56.100 0.078 0.000 0.997 442 R CB -0.373 29.919 30.300 -0.013 0.000 0.867 442 R HN 0.717 nan 8.270 nan 0.000 0.465 443 M N 0.483 120.073 119.600 -0.016 0.000 2.299 443 M HA -0.074 4.407 4.480 0.001 0.000 0.264 443 M C 1.538 177.797 176.300 -0.068 0.000 1.095 443 M CA 1.500 56.770 55.300 -0.049 0.000 1.165 443 M CB 0.277 32.814 32.600 -0.106 0.000 1.349 443 M HN 0.014 nan 8.290 nan 0.000 0.446 444 E N 0.642 120.789 120.200 -0.088 0.000 2.051 444 E HA -0.205 4.146 4.350 0.001 0.000 0.192 444 E C 2.013 178.628 176.600 0.025 0.000 0.991 444 E CA 1.571 57.842 56.400 -0.215 0.000 0.799 444 E CB -0.310 29.430 29.700 0.068 0.000 0.748 444 E HN 0.511 nan 8.360 nan 0.000 0.449 445 L N 0.171 121.490 121.223 0.160 0.000 1.956 445 L HA -0.236 4.104 4.340 0.001 0.000 0.216 445 L C 2.520 179.501 176.870 0.186 0.000 1.073 445 L CA 1.552 56.516 54.840 0.207 0.000 0.762 445 L CB -0.604 41.564 42.059 0.181 0.000 0.889 445 L HN 0.134 nan 8.230 nan 0.000 0.433 446 F N 0.420 120.377 119.950 0.011 0.000 2.069 446 F HA -0.248 4.280 4.527 0.000 0.000 0.298 446 F C 2.327 178.127 175.800 -0.000 0.000 1.113 446 F CA 1.616 59.613 58.000 -0.004 0.000 1.214 446 F CB -0.138 38.832 39.000 -0.050 0.000 0.978 446 F HN -0.116 nan 8.300 nan 0.000 0.474 447 L N -1.167 120.116 121.223 0.100 0.000 2.017 447 L HA -0.231 4.109 4.340 0.001 0.000 0.208 447 L C 2.486 179.350 176.870 -0.011 0.000 1.073 447 L CA 1.161 55.982 54.840 -0.031 0.000 0.745 447 L CB -0.923 41.053 42.059 -0.138 0.000 0.894 447 L HN 0.100 nan 8.230 nan 0.000 0.432 448 F N 0.145 120.117 119.950 0.038 0.000 2.134 448 F HA -0.193 4.334 4.527 0.000 0.000 0.299 448 F C 2.354 178.166 175.800 0.020 0.000 1.097 448 F CA 1.095 59.116 58.000 0.035 0.000 1.264 448 F CB -0.831 38.199 39.000 0.050 0.000 1.001 448 F HN -0.059 nan 8.300 nan 0.000 0.479 449 L N -0.523 120.815 121.223 0.192 0.000 1.988 449 L HA -0.213 4.128 4.340 0.001 0.000 0.207 449 L C 2.675 179.558 176.870 0.022 0.000 1.071 449 L CA 2.019 56.919 54.840 0.101 0.000 0.744 449 L CB -1.340 40.754 42.059 0.059 0.000 0.893 449 L HN 0.241 nan 8.230 nan 0.000 0.433 450 T N -4.200 110.272 114.554 -0.137 0.000 2.759 450 T HA -0.186 4.164 4.350 0.001 0.000 0.269 450 T C 1.730 176.402 174.700 -0.046 0.000 1.042 450 T CA 1.845 63.843 62.100 -0.171 0.000 1.140 450 T CB -0.776 67.835 68.868 -0.427 0.000 0.864 450 T HN 0.234 nan 8.240 nan 0.000 0.455 451 T N 1.971 116.528 114.554 0.005 0.000 2.821 451 T HA 0.172 4.522 4.350 0.001 0.000 0.267 451 T C 1.921 176.677 174.700 0.093 0.000 1.046 451 T CA 1.108 63.242 62.100 0.056 0.000 1.139 451 T CB -0.378 68.554 68.868 0.107 0.000 0.871 451 T HN 0.414 nan 8.240 nan 0.000 0.454 452 I N 0.737 121.397 120.570 0.150 0.000 2.252 452 I HA -0.076 4.095 4.170 0.001 0.000 0.245 452 I C 2.135 178.410 176.117 0.263 0.000 1.102 452 I CA 1.122 62.571 61.300 0.248 0.000 1.385 452 I CB -0.324 37.820 38.000 0.240 0.000 1.064 452 I HN 0.194 nan 8.210 nan 0.000 0.414 453 L N 0.170 121.493 121.223 0.166 0.000 2.291 453 L HA -0.176 4.165 4.340 0.001 0.000 0.214 453 L C 2.559 179.477 176.870 0.081 0.000 1.120 453 L CA 0.963 55.889 54.840 0.143 0.000 0.799 453 L CB -0.505 41.614 42.059 0.100 0.000 0.925 453 L HN 0.390 nan 8.230 nan 0.000 0.446 454 Q N 0.303 120.124 119.800 0.035 0.000 2.230 454 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 454 Q C 1.438 177.396 176.000 -0.070 0.000 0.963 454 Q CA 1.087 56.883 55.803 -0.011 0.000 0.866 454 Q CB 0.270 28.999 28.738 -0.016 0.000 0.931 454 Q HN 0.582 nan 8.270 nan 0.000 0.452 455 N N -1.380 117.240 118.700 -0.135 0.000 2.250 455 N HA 0.122 4.862 4.740 0.001 0.000 0.190 455 N C -0.804 174.336 175.510 -0.616 0.000 1.116 455 N CA 0.136 52.938 53.050 -0.415 0.000 0.881 455 N CB 0.792 38.901 38.487 -0.629 0.000 1.006 455 N HN -0.004 nan 8.380 nan 0.000 0.491 456 F N 0.194 120.192 119.950 0.080 0.000 2.629 456 F HA 0.423 4.950 4.527 0.000 0.000 0.316 456 F C -0.084 175.781 175.800 0.107 0.000 1.081 456 F CA -1.030 57.042 58.000 0.119 0.000 0.954 456 F CB 1.184 40.317 39.000 0.222 0.000 1.337 456 F HN -0.298 nan 8.300 nan 0.000 0.474 457 N N 0.558 119.461 118.700 0.339 0.000 2.362 457 N HA 0.668 5.408 4.740 0.001 0.000 0.299 457 N C -1.594 173.995 175.510 0.132 0.000 1.170 457 N CA -0.565 52.595 53.050 0.182 0.000 0.825 457 N CB 1.930 40.489 38.487 0.120 0.000 1.299 457 N HN 0.436 nan 8.380 nan 0.000 0.502 458 L N 1.043 122.295 121.223 0.048 0.000 2.298 458 L HA 0.506 4.846 4.340 0.001 0.000 0.284 458 L C 0.238 177.069 176.870 -0.066 0.000 1.013 458 L CA -0.596 54.210 54.840 -0.056 0.000 0.824 458 L CB 1.390 43.410 42.059 -0.065 0.000 1.221 458 L HN 0.301 nan 8.230 nan 0.000 0.418 459 K N 1.207 121.548 120.400 -0.100 0.000 2.328 459 K HA 0.504 4.825 4.320 0.001 0.000 0.246 459 K C 0.337 176.880 176.600 -0.095 0.000 0.955 459 K CA -0.403 55.840 56.287 -0.072 0.000 0.817 459 K CB 2.103 34.579 32.500 -0.041 0.000 1.208 459 K HN 0.558 nan 8.250 nan 0.000 0.432 460 S N 1.459 117.119 115.700 -0.067 0.000 2.603 460 S HA -0.015 4.455 4.470 0.001 0.000 0.232 460 S C 0.594 175.171 174.600 -0.038 0.000 1.016 460 S CA 0.212 58.378 58.200 -0.057 0.000 0.976 460 S CB 0.216 63.384 63.200 -0.054 0.000 0.921 460 S HN 0.618 nan 8.310 nan 0.000 0.516 461 V N 1.365 121.259 119.914 -0.033 0.000 5.043 461 V HA -0.195 3.925 4.120 0.001 0.000 0.267 461 V C -0.405 175.677 176.094 -0.020 0.000 0.597 461 V CA 1.907 64.193 62.300 -0.023 0.000 0.703 461 V CB -1.931 29.880 31.823 -0.021 0.000 0.558 461 V HN 0.966 nan 8.190 nan 0.000 1.038 462 D N -0.816 119.571 120.400 -0.022 0.000 2.804 462 D HA 0.276 4.916 4.640 0.001 0.000 0.309 462 D C -1.193 175.091 176.300 -0.026 0.000 1.311 462 D CA 0.055 54.043 54.000 -0.020 0.000 0.765 462 D CB 1.153 41.943 40.800 -0.018 0.000 1.293 462 D HN 0.216 nan 8.370 nan 0.000 0.434 463 D N 0.563 120.949 120.400 -0.024 0.000 2.345 463 D HA 0.191 4.831 4.640 0.001 0.000 0.247 463 D C 1.076 177.352 176.300 -0.040 0.000 1.108 463 D CA -0.069 53.914 54.000 -0.028 0.000 0.894 463 D CB 1.235 42.022 40.800 -0.022 0.000 1.203 463 D HN 0.420 nan 8.370 nan 0.000 0.430 464 L N 3.333 124.525 121.223 -0.050 0.000 2.492 464 L HA -0.013 4.328 4.340 0.001 0.000 0.223 464 L C 2.363 179.191 176.870 -0.070 0.000 1.132 464 L CA 0.280 55.076 54.840 -0.073 0.000 0.850 464 L CB -0.217 41.787 42.059 -0.091 0.000 0.966 464 L HN 0.457 nan 8.230 nan 0.000 0.454 465 K N 0.726 121.097 120.400 -0.049 0.000 2.148 465 K HA -0.157 4.163 4.320 0.001 0.000 0.204 465 K C 1.439 178.021 176.600 -0.031 0.000 1.050 465 K CA 1.383 57.647 56.287 -0.037 0.000 0.942 465 K CB 0.065 32.550 32.500 -0.024 0.000 0.724 465 K HN 0.351 nan 8.250 nan 0.000 0.446 466 N N 1.017 119.700 118.700 -0.030 0.000 2.333 466 N HA -0.086 4.655 4.740 0.001 0.000 0.178 466 N C 0.424 175.918 175.510 -0.027 0.000 1.018 466 N CA 0.181 53.218 53.050 -0.022 0.000 0.882 466 N CB -0.331 38.146 38.487 -0.017 0.000 0.984 466 N HN 0.110 nan 8.380 nan 0.000 0.434 467 L N 2.963 124.159 121.223 -0.046 0.000 2.745 467 L HA -0.044 4.296 4.340 0.001 0.000 0.273 467 L C 0.513 177.353 176.870 -0.050 0.000 1.156 467 L CA 0.406 55.209 54.840 -0.063 0.000 0.982 467 L CB -0.779 41.216 42.059 -0.106 0.000 1.295 467 L HN 0.131 nan 8.230 nan 0.000 0.483 468 N N 2.105 120.789 118.700 -0.026 0.000 2.426 468 N HA 0.159 4.899 4.740 0.001 0.000 0.275 468 N C 0.402 175.923 175.510 0.017 0.000 1.019 468 N CA 0.349 53.403 53.050 0.006 0.000 0.941 468 N CB 1.007 39.504 38.487 0.017 0.000 1.123 468 N HN 0.708 nan 8.380 nan 0.000 0.486 469 T N -0.886 113.717 114.554 0.082 0.000 3.085 469 T HA 0.097 4.447 4.350 0.001 0.000 0.264 469 T C 0.394 175.292 174.700 0.329 0.000 1.019 469 T CA -0.265 61.946 62.100 0.185 0.000 0.910 469 T CB -0.141 68.842 68.868 0.192 0.000 1.059 469 T HN 0.285 nan 8.240 nan 0.000 0.542 470 T N 3.547 118.227 114.554 0.210 0.000 2.888 470 T HA 0.554 4.904 4.350 0.001 0.000 0.301 470 T C 0.756 175.549 174.700 0.155 0.000 1.001 470 T CA -0.147 62.065 62.100 0.187 0.000 1.147 470 T CB 0.582 69.513 68.868 0.104 0.000 0.931 470 T HN 0.623 nan 8.240 nan 0.000 0.541 471 A N 2.995 125.929 122.820 0.189 0.000 2.346 471 A HA 0.529 4.849 4.320 0.001 0.000 0.252 471 A C 0.489 178.104 177.584 0.051 0.000 1.089 471 A CA -0.686 51.437 52.037 0.144 0.000 0.797 471 A CB 0.171 19.305 19.000 0.225 0.000 1.047 471 A HN 0.951 nan 8.150 nan 0.000 0.494 472 V N -0.359 119.569 119.914 0.023 0.000 2.370 472 V HA 0.714 4.834 4.120 0.001 0.000 0.283 472 V C -0.222 175.877 176.094 0.009 0.000 1.023 472 V CA -0.188 62.115 62.300 0.006 0.000 0.857 472 V CB 0.811 32.631 31.823 -0.004 0.000 0.985 472 V HN 0.715 nan 8.190 nan 0.000 0.443 473 T N 5.400 119.948 114.554 -0.009 0.000 2.770 473 T HA 0.568 4.918 4.350 0.001 0.000 0.283 473 T C 0.251 174.924 174.700 -0.044 0.000 0.988 473 T CA -0.430 61.657 62.100 -0.022 0.000 0.957 473 T CB 1.932 70.778 68.868 -0.037 0.000 0.930 473 T HN 0.972 nan 8.240 nan 0.000 0.443 474 K N 1.400 121.772 120.400 -0.047 0.000 2.948 474 K HA 0.271 4.592 4.320 0.001 0.000 0.182 474 K C 0.909 177.463 176.600 -0.078 0.000 1.750 474 K CA -0.062 56.182 56.287 -0.071 0.000 1.390 474 K CB 0.680 33.145 32.500 -0.059 0.000 1.986 474 K HN 0.689 nan 8.250 nan 0.000 0.628 475 G N 0.720 109.485 108.800 -0.057 0.000 2.509 475 G HA2 0.273 4.234 3.960 0.001 0.000 0.328 475 G HA3 0.273 4.234 3.960 0.001 0.000 0.328 475 G C 0.390 175.266 174.900 -0.039 0.000 1.194 475 G CA -0.651 44.408 45.100 -0.068 0.000 0.967 475 G HN 0.181 nan 8.290 nan 0.000 0.488 476 I N -0.594 119.951 120.570 -0.041 0.000 2.502 476 I HA -0.074 4.096 4.170 0.001 0.000 0.258 476 I C 0.088 176.224 176.117 0.032 0.000 1.172 476 I CA 0.896 62.193 61.300 -0.004 0.000 1.430 476 I CB 0.134 38.134 38.000 -0.000 0.000 1.086 476 I HN -0.020 nan 8.210 nan 0.000 0.440 477 V N 1.552 121.495 119.914 0.049 0.000 2.313 477 V HA 0.226 4.346 4.120 0.001 0.000 0.278 477 V C 0.288 176.462 176.094 0.133 0.000 1.017 477 V CA -0.462 61.920 62.300 0.137 0.000 0.823 477 V CB 1.191 33.203 31.823 0.315 0.000 1.010 477 V HN 0.122 nan 8.190 nan 0.000 0.443 478 S N 5.659 121.427 115.700 0.113 0.000 2.593 478 S HA 0.642 5.113 4.470 0.001 0.000 0.269 478 S C -0.230 174.459 174.600 0.148 0.000 1.334 478 S CA -0.179 58.088 58.200 0.113 0.000 1.015 478 S CB 0.527 63.795 63.200 0.113 0.000 0.912 478 S HN 0.496 nan 8.310 nan 0.000 0.541 479 L N 2.688 123.972 121.223 0.103 0.000 2.376 479 L HA 0.581 4.921 4.340 0.001 0.000 0.258 479 L C -2.444 174.341 176.870 -0.141 0.000 1.013 479 L CA -2.366 52.497 54.840 0.038 0.000 0.822 479 L CB 2.324 44.408 42.059 0.043 0.000 1.388 479 L HN 0.405 nan 8.230 nan 0.000 0.413 480 P HA 0.283 nan 4.420 nan 0.000 0.281 480 P C -2.763 174.362 177.300 -0.293 0.000 1.249 480 P CA -1.773 60.802 63.100 -0.876 0.000 0.810 480 P CB 0.554 31.498 31.700 -1.259 0.000 1.008 481 P HA 0.020 nan 4.420 nan 0.000 0.272 481 P C 0.378 177.708 177.300 0.050 0.000 1.223 481 P CA 0.076 63.151 63.100 -0.042 0.000 0.784 481 P CB 0.389 32.079 31.700 -0.017 0.000 0.923 482 S N 1.308 117.033 115.700 0.041 0.000 2.566 482 S HA 0.311 4.781 4.470 0.001 0.000 0.280 482 S C -0.647 174.043 174.600 0.151 0.000 1.343 482 S CA 0.149 58.372 58.200 0.039 0.000 1.036 482 S CB -0.680 62.513 63.200 -0.012 0.000 0.866 482 S HN 0.517 nan 8.310 nan 0.000 0.526 483 Y N 0.307 120.573 120.300 -0.057 0.000 2.638 483 Y HA 0.491 5.042 4.550 0.001 0.000 0.334 483 Y C -1.270 174.595 175.900 -0.058 0.000 1.182 483 Y CA -1.278 56.787 58.100 -0.058 0.000 1.102 483 Y CB 0.445 38.864 38.460 -0.068 0.000 1.343 483 Y HN 0.393 nan 8.280 nan 0.000 0.463 484 Q N 3.403 123.238 119.800 0.059 0.000 2.226 484 Q HA 0.676 5.017 4.340 0.001 0.000 0.256 484 Q C -1.158 174.870 176.000 0.046 0.000 0.962 484 Q CA -0.882 54.902 55.803 -0.031 0.000 0.887 484 Q CB 3.178 31.903 28.738 -0.021 0.000 1.282 484 Q HN 0.897 nan 8.270 nan 0.000 0.449 485 I N -0.064 120.463 120.570 -0.071 0.000 2.775 485 I HA 0.283 4.453 4.170 0.001 0.000 0.295 485 I C -1.519 174.418 176.117 -0.300 0.000 1.287 485 I CA -0.635 60.560 61.300 -0.173 0.000 1.029 485 I CB 1.853 39.712 38.000 -0.234 0.000 1.282 485 I HN 0.598 nan 8.210 nan 0.000 0.426 486 C N 6.339 125.455 119.300 -0.307 0.000 2.281 486 C HA 0.478 4.939 4.460 0.001 0.000 0.325 486 C C -0.329 174.458 174.990 -0.340 0.000 1.282 486 C CA -0.367 58.515 59.018 -0.226 0.000 1.640 486 C CB -0.137 27.544 27.740 -0.098 0.000 2.288 486 C HN 0.468 nan 8.230 nan 0.000 0.507 487 F N 4.262 124.122 119.950 -0.150 0.000 2.334 487 F HA 0.372 4.900 4.527 0.001 0.000 0.365 487 F C 0.363 176.107 175.800 -0.093 0.000 1.124 487 F CA -0.405 57.421 58.000 -0.290 0.000 1.166 487 F CB 0.112 38.645 39.000 -0.779 0.000 1.355 487 F HN 0.360 nan 8.300 nan 0.000 0.532 488 I N 6.607 127.304 120.570 0.213 0.000 2.322 488 I HA 0.184 4.355 4.170 0.001 0.000 0.292 488 I C -1.919 174.462 176.117 0.440 0.000 1.060 488 I CA -2.863 58.594 61.300 0.262 0.000 1.309 488 I CB 0.090 38.174 38.000 0.140 0.000 1.415 488 I HN 0.244 nan 8.210 nan 0.000 0.492 489 P HA 0.021 nan 4.420 nan 0.000 0.265 489 P C 0.041 177.396 177.300 0.091 0.000 1.193 489 P CA -0.075 63.164 63.100 0.232 0.000 0.765 489 P CB 0.548 32.337 31.700 0.149 0.000 0.823 490 V N 0.000 119.910 119.914 -0.007 0.000 2.409 490 V HA 0.000 4.120 4.120 0.001 0.000 0.244 490 V CA 0.000 62.300 62.300 0.001 0.000 1.235 490 V CB 0.000 31.805 31.823 -0.029 0.000 1.184 490 V HN 0.000 nan 8.190 nan 0.000 0.556