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 2nnj_1_A 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 0.000 176.701 176.600 0.168 0.000 0.988 28 K CA 0.000 56.361 56.287 0.124 0.000 0.838 28 K CB 0.000 32.578 32.500 0.131 0.000 1.064 29 L N 1.798 123.076 121.223 0.091 0.000 2.452 29 L HA 0.296 4.635 4.340 -0.001 0.000 0.267 29 L C -1.855 174.970 176.870 -0.074 0.000 1.188 29 L CA -1.731 53.112 54.840 0.005 0.000 0.821 29 L CB 0.225 42.261 42.059 -0.038 0.000 1.102 29 L HN 0.221 nan 8.230 nan 0.000 0.470 30 P HA 0.076 nan 4.420 nan 0.000 0.267 30 P C -2.424 174.680 177.300 -0.327 0.000 1.200 30 P CA -0.672 61.963 63.100 -0.775 0.000 0.772 30 P CB 0.022 31.121 31.700 -1.002 0.000 0.855 31 P HA 0.342 nan 4.420 nan 0.000 0.271 31 P C 0.063 177.188 177.300 -0.293 0.000 1.244 31 P CA 0.242 63.282 63.100 -0.099 0.000 0.793 31 P CB 0.458 32.203 31.700 0.074 0.000 0.984 32 G N -0.889 107.596 108.800 -0.526 0.000 2.430 32 G HA2 0.457 4.416 3.960 -0.001 0.000 0.300 32 G HA3 0.457 4.416 3.960 -0.001 0.000 0.300 32 G C -3.301 170.951 174.900 -1.080 0.000 1.330 32 G CA -0.832 43.615 45.100 -1.088 0.000 0.813 32 G HN 0.199 nan 8.290 nan 0.000 0.487 33 P HA 0.320 nan 4.420 nan 0.000 0.271 33 P C 0.083 177.263 177.300 -0.199 0.000 1.216 33 P CA 0.061 62.907 63.100 -0.423 0.000 0.776 33 P CB 0.578 32.001 31.700 -0.462 0.000 0.881 34 T N 5.668 120.177 114.554 -0.074 0.000 2.829 34 T HA 0.171 4.520 4.350 -0.001 0.000 0.293 34 T C -1.842 172.828 174.700 -0.051 0.000 0.970 34 T CA -0.474 61.595 62.100 -0.050 0.000 1.168 34 T CB -0.533 68.324 68.868 -0.018 0.000 0.911 34 T HN 0.389 nan 8.240 nan 0.000 0.535 35 P HA 0.337 nan 4.420 nan 0.000 0.281 35 P C -0.473 176.777 177.300 -0.082 0.000 1.249 35 P CA -0.641 62.409 63.100 -0.083 0.000 0.810 35 P CB 0.980 32.546 31.700 -0.223 0.000 1.008 36 L N 4.010 125.211 121.223 -0.037 0.000 2.395 36 L HA 0.191 4.530 4.340 -0.001 0.000 0.269 36 L C -0.988 175.861 176.870 -0.034 0.000 1.133 36 L CA -1.904 52.920 54.840 -0.026 0.000 0.812 36 L CB 0.404 42.463 42.059 0.000 0.000 1.125 36 L HN 0.242 nan 8.230 nan 0.000 0.452 37 P HA -0.275 nan 4.420 nan 0.000 0.222 37 P C 1.136 178.438 177.300 0.004 0.000 1.157 37 P CA 1.718 64.801 63.100 -0.028 0.000 0.905 37 P CB 0.255 31.946 31.700 -0.015 0.000 0.792 38 I N -3.035 117.562 120.570 0.046 0.000 3.565 38 I HA 0.049 4.219 4.170 -0.001 0.000 0.287 38 I C 1.818 178.072 176.117 0.228 0.000 1.193 38 I CA 0.652 62.020 61.300 0.112 0.000 1.402 38 I CB -1.075 36.985 38.000 0.101 0.000 1.284 38 I HN -0.084 nan 8.210 nan 0.000 0.454 39 I N -0.284 120.409 120.570 0.205 0.000 3.793 39 I HA 0.512 4.681 4.170 -0.001 0.000 0.315 39 I C 1.345 177.608 176.117 0.244 0.000 1.275 39 I CA -0.072 61.435 61.300 0.344 0.000 1.214 39 I CB -0.948 37.151 38.000 0.165 0.000 1.018 39 I HN 0.225 nan 8.210 nan 0.000 0.439 40 G N 2.675 111.557 108.800 0.137 0.000 2.611 40 G HA2 -0.419 3.540 3.960 -0.001 0.000 0.301 40 G HA3 -0.419 3.540 3.960 -0.001 0.000 0.301 40 G C 0.423 175.372 174.900 0.081 0.000 1.233 40 G CA 0.853 46.019 45.100 0.110 0.000 0.993 40 G HN 0.562 nan 8.290 nan 0.000 0.553 41 N N 0.661 119.416 118.700 0.091 0.000 2.268 41 N HA 0.272 5.011 4.740 -0.001 0.000 0.204 41 N C 2.126 177.627 175.510 -0.015 0.000 1.124 41 N CA 0.111 53.191 53.050 0.050 0.000 0.838 41 N CB 0.142 38.671 38.487 0.070 0.000 0.994 41 N HN 0.345 nan 8.380 nan 0.000 0.489 42 M N 0.263 119.826 119.600 -0.061 0.000 2.143 42 M HA -0.158 4.321 4.480 -0.001 0.000 0.258 42 M C 1.450 177.702 176.300 -0.080 0.000 1.071 42 M CA 1.504 56.728 55.300 -0.126 0.000 1.088 42 M CB -0.793 31.827 32.600 0.033 0.000 1.360 42 M HN 0.326 nan 8.290 nan 0.000 0.404 43 L N -1.061 120.145 121.223 -0.027 0.000 2.478 43 L HA -0.152 4.187 4.340 -0.001 0.000 0.223 43 L C 2.147 179.012 176.870 -0.008 0.000 1.140 43 L CA 0.550 55.374 54.840 -0.027 0.000 0.842 43 L CB -0.433 41.617 42.059 -0.015 0.000 0.953 43 L HN 0.403 nan 8.230 nan 0.000 0.452 44 Q N 0.318 120.138 119.800 0.034 0.000 2.424 44 Q HA 0.111 4.450 4.340 -0.001 0.000 0.204 44 Q C 0.220 176.257 176.000 0.061 0.000 0.933 44 Q CA 0.228 56.092 55.803 0.103 0.000 0.929 44 Q CB 0.443 29.334 28.738 0.255 0.000 1.037 44 Q HN 0.531 nan 8.270 nan 0.000 0.511 45 I N -2.670 117.895 120.570 -0.007 0.000 2.493 45 I HA 0.383 4.552 4.170 -0.001 0.000 0.298 45 I C -0.622 175.411 176.117 -0.140 0.000 0.998 45 I CA -1.177 60.067 61.300 -0.094 0.000 1.137 45 I CB 1.399 39.338 38.000 -0.102 0.000 1.310 45 I HN -0.294 nan 8.210 nan 0.000 0.445 46 D N 4.558 124.861 120.400 -0.162 0.000 2.339 46 D HA 0.158 4.797 4.640 -0.001 0.000 0.241 46 D C 1.173 177.384 176.300 -0.148 0.000 1.183 46 D CA -0.446 53.468 54.000 -0.144 0.000 0.859 46 D CB 1.613 42.333 40.800 -0.134 0.000 1.067 46 D HN 0.562 nan 8.370 nan 0.000 0.484 47 V N 2.353 122.182 119.914 -0.143 0.000 2.867 47 V HA -0.125 3.994 4.120 -0.001 0.000 0.260 47 V C 1.636 177.661 176.094 -0.115 0.000 1.099 47 V CA 1.110 63.334 62.300 -0.126 0.000 1.122 47 V CB -0.678 31.049 31.823 -0.160 0.000 0.708 47 V HN 0.398 nan 8.190 nan 0.000 0.490 48 K N 0.250 120.581 120.400 -0.116 0.000 2.361 48 K HA 0.095 4.414 4.320 -0.001 0.000 0.196 48 K C 0.429 176.983 176.600 -0.078 0.000 1.039 48 K CA 0.877 57.109 56.287 -0.091 0.000 1.001 48 K CB 0.185 32.636 32.500 -0.083 0.000 0.795 48 K HN 0.454 nan 8.250 nan 0.000 0.495 49 D N 0.240 120.581 120.400 -0.097 0.000 2.978 49 D HA 0.166 4.806 4.640 -0.001 0.000 0.268 49 D C 0.582 176.793 176.300 -0.148 0.000 1.252 49 D CA -0.132 53.810 54.000 -0.096 0.000 0.771 49 D CB -0.034 40.717 40.800 -0.081 0.000 1.361 49 D HN -0.084 nan 8.370 nan 0.000 0.558 50 I N -0.194 120.265 120.570 -0.186 0.000 2.361 50 I HA -0.258 3.911 4.170 -0.001 0.000 0.251 50 I C 2.327 178.170 176.117 -0.455 0.000 1.133 50 I CA 0.688 61.767 61.300 -0.369 0.000 1.413 50 I CB -0.066 37.712 38.000 -0.369 0.000 1.073 50 I HN 0.357 nan 8.210 nan 0.000 0.424 51 C N 0.772 119.961 119.300 -0.185 0.000 2.422 51 C HA -0.166 4.293 4.460 -0.001 0.000 0.279 51 C C 2.889 177.901 174.990 0.038 0.000 1.305 51 C CA 0.958 59.984 59.018 0.015 0.000 1.757 51 C CB -0.873 26.907 27.740 0.066 0.000 1.962 51 C HN 0.456 nan 8.230 nan 0.000 0.499 52 K N 0.705 121.072 120.400 -0.054 0.000 2.057 52 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 52 K C 2.072 178.604 176.600 -0.114 0.000 1.050 52 K CA 1.697 57.947 56.287 -0.062 0.000 0.935 52 K CB -0.149 32.298 32.500 -0.088 0.000 0.715 52 K HN 0.403 nan 8.250 nan 0.000 0.439 53 S N 0.566 116.143 115.700 -0.205 0.000 2.368 53 S HA -0.075 4.394 4.470 -0.001 0.000 0.224 53 S C 1.651 176.086 174.600 -0.274 0.000 1.029 53 S CA 0.979 58.954 58.200 -0.375 0.000 0.988 53 S CB -0.292 62.670 63.200 -0.397 0.000 0.838 53 S HN 0.229 nan 8.310 nan 0.000 0.462 54 F N 2.283 122.241 119.950 0.014 0.000 2.171 54 F HA -0.049 4.478 4.527 -0.001 0.000 0.300 54 F C 2.771 178.709 175.800 0.230 0.000 1.090 54 F CA 0.657 58.864 58.000 0.345 0.000 1.293 54 F CB -1.760 37.511 39.000 0.450 0.000 1.013 54 F HN 0.147 nan 8.300 nan 0.000 0.486 55 T N 0.071 114.801 114.554 0.294 0.000 2.788 55 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 55 T C 1.810 176.484 174.700 -0.043 0.000 1.044 55 T CA 1.368 63.534 62.100 0.111 0.000 1.139 55 T CB -0.258 68.706 68.868 0.158 0.000 0.867 55 T HN 0.132 nan 8.240 nan 0.000 0.454 56 N N 0.780 119.422 118.700 -0.097 0.000 2.188 56 N HA 0.051 4.790 4.740 -0.001 0.000 0.184 56 N C 1.558 176.998 175.510 -0.116 0.000 1.018 56 N CA 0.907 53.864 53.050 -0.155 0.000 0.858 56 N CB -0.485 37.851 38.487 -0.252 0.000 0.989 56 N HN 0.472 nan 8.380 nan 0.000 0.426 57 F N 1.174 121.037 119.950 -0.145 0.000 2.234 57 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 57 F C 2.574 178.078 175.800 -0.493 0.000 1.087 57 F CA 0.672 58.462 58.000 -0.350 0.000 1.340 57 F CB -0.068 38.511 39.000 -0.702 0.000 1.031 57 F HN 0.097 nan 8.300 nan 0.000 0.500 58 S N 0.216 115.790 115.700 -0.210 0.000 2.447 58 S HA -0.163 4.306 4.470 -0.001 0.000 0.233 58 S C 1.577 176.119 174.600 -0.098 0.000 1.006 58 S CA 0.776 58.903 58.200 -0.120 0.000 0.957 58 S CB -0.429 62.557 63.200 -0.356 0.000 0.773 58 S HN 0.369 nan 8.310 nan 0.000 0.507 59 K N 0.366 120.701 120.400 -0.109 0.000 2.365 59 K HA 0.153 4.473 4.320 -0.001 0.000 0.199 59 K C 1.455 177.985 176.600 -0.115 0.000 1.045 59 K CA 0.780 57.019 56.287 -0.080 0.000 0.962 59 K CB 0.031 32.492 32.500 -0.066 0.000 0.759 59 K HN 0.319 nan 8.250 nan 0.000 0.469 60 V N -0.863 118.937 119.914 -0.189 0.000 2.806 60 V HA -0.056 4.063 4.120 -0.001 0.000 0.239 60 V C 1.049 176.835 176.094 -0.514 0.000 1.113 60 V CA 0.857 62.918 62.300 -0.399 0.000 1.137 60 V CB -0.121 31.335 31.823 -0.612 0.000 0.865 60 V HN 0.139 nan 8.190 nan 0.000 0.482 61 Y N 0.855 121.086 120.300 -0.115 0.000 2.449 61 Y HA 0.581 5.130 4.550 -0.002 0.000 0.254 61 Y C 1.343 177.256 175.900 0.022 0.000 1.140 61 Y CA 0.407 58.462 58.100 -0.076 0.000 1.272 61 Y CB 0.349 38.708 38.460 -0.169 0.000 1.114 61 Y HN 0.352 nan 8.280 nan 0.000 0.525 62 G N 0.338 109.223 108.800 0.142 0.000 2.526 62 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.250 62 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.250 62 G C -2.258 172.797 174.900 0.257 0.000 1.289 62 G CA -0.562 44.645 45.100 0.177 0.000 0.947 62 G HN -0.031 nan 8.290 nan 0.000 0.517 63 P HA 0.213 nan 4.420 nan 0.000 0.223 63 P C 0.410 177.761 177.300 0.084 0.000 1.151 63 P CA 1.116 64.359 63.100 0.237 0.000 0.787 63 P CB 0.236 32.072 31.700 0.228 0.000 0.788 64 V N 0.907 120.822 119.914 0.003 0.000 2.482 64 V HA 0.492 4.611 4.120 -0.001 0.000 0.295 64 V C -0.610 175.287 176.094 -0.327 0.000 1.026 64 V CA -0.684 61.361 62.300 -0.425 0.000 0.856 64 V CB 1.192 32.767 31.823 -0.413 0.000 1.001 64 V HN -0.017 nan 8.190 nan 0.000 0.424 65 F N 1.208 120.849 119.950 -0.516 0.000 2.662 65 F HA 0.871 5.398 4.527 -0.001 0.000 0.312 65 F C -0.421 175.064 175.800 -0.526 0.000 1.113 65 F CA -0.876 56.841 58.000 -0.471 0.000 0.951 65 F CB 1.699 40.495 39.000 -0.340 0.000 1.344 65 F HN 0.216 nan 8.300 nan 0.000 0.462 66 T N 2.324 116.727 114.554 -0.252 0.000 2.823 66 T HA 0.671 5.020 4.350 -0.001 0.000 0.279 66 T C -0.656 173.912 174.700 -0.219 0.000 0.998 66 T CA -0.567 61.339 62.100 -0.324 0.000 0.994 66 T CB 1.474 70.144 68.868 -0.331 0.000 0.960 66 T HN 0.902 nan 8.240 nan 0.000 0.448 67 V N 0.849 120.642 119.914 -0.200 0.000 2.962 67 V HA 0.743 4.862 4.120 -0.001 0.000 0.313 67 V C -1.842 174.235 176.094 -0.029 0.000 1.099 67 V CA -1.219 61.082 62.300 0.003 0.000 0.971 67 V CB 1.557 33.571 31.823 0.318 0.000 1.028 67 V HN 0.779 nan 8.190 nan 0.000 0.430 68 Y N 1.945 122.340 120.300 0.158 0.000 2.341 68 Y HA 0.677 5.226 4.550 -0.001 0.000 0.338 68 Y C -0.483 175.579 175.900 0.269 0.000 0.965 68 Y CA -0.803 57.407 58.100 0.182 0.000 1.108 68 Y CB 2.082 40.579 38.460 0.061 0.000 1.180 68 Y HN 0.641 nan 8.280 nan 0.000 0.458 69 F N 2.959 122.971 119.950 0.104 0.000 2.293 69 F HA 0.485 5.012 4.527 -0.001 0.000 0.370 69 F C 0.990 176.728 175.800 -0.103 0.000 1.090 69 F CA -0.107 57.915 58.000 0.036 0.000 1.133 69 F CB 0.636 39.634 39.000 -0.004 0.000 1.360 69 F HN 0.838 nan 8.300 nan 0.000 0.489 70 G N 3.121 111.948 108.800 0.045 0.000 2.531 70 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.274 70 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.274 70 G C 0.692 175.648 174.900 0.093 0.000 1.159 70 G CA 0.055 45.102 45.100 -0.087 0.000 0.969 70 G HN 0.358 nan 8.290 nan 0.000 0.554 71 M N 1.924 121.554 119.600 0.049 0.000 2.561 71 M HA 0.170 4.649 4.480 -0.001 0.000 0.238 71 M C 0.663 177.089 176.300 0.209 0.000 1.131 71 M CA 0.162 55.536 55.300 0.123 0.000 1.046 71 M CB -0.897 31.743 32.600 0.068 0.000 1.532 71 M HN 0.368 nan 8.290 nan 0.000 0.497 72 N N 3.287 122.073 118.700 0.143 0.000 2.408 72 N HA 0.261 5.000 4.740 -0.001 0.000 0.257 72 N C -2.477 173.031 175.510 -0.003 0.000 1.064 72 N CA -1.003 52.091 53.050 0.072 0.000 0.952 72 N CB 0.811 39.292 38.487 -0.009 0.000 1.093 72 N HN 0.151 nan 8.380 nan 0.000 0.490 73 P HA 0.348 nan 4.420 nan 0.000 0.278 73 P C -0.414 176.665 177.300 -0.367 0.000 1.238 73 P CA -0.201 62.530 63.100 -0.615 0.000 0.794 73 P CB 1.375 32.725 31.700 -0.582 0.000 0.955 74 I N 1.863 122.197 120.570 -0.394 0.000 2.548 74 I HA 0.207 4.376 4.170 -0.001 0.000 0.287 74 I C -0.195 175.695 176.117 -0.378 0.000 1.103 74 I CA -1.183 59.930 61.300 -0.311 0.000 1.049 74 I CB 2.542 40.366 38.000 -0.294 0.000 1.232 74 I HN 0.057 nan 8.210 nan 0.000 0.429 75 V N 8.181 127.883 119.914 -0.353 0.000 2.383 75 V HA 0.478 4.597 4.120 -0.001 0.000 0.275 75 V C -0.352 175.371 176.094 -0.618 0.000 1.036 75 V CA -0.136 61.858 62.300 -0.511 0.000 0.889 75 V CB 1.684 33.251 31.823 -0.427 0.000 0.985 75 V HN 0.441 nan 8.190 nan 0.000 0.459 76 V N 7.934 127.235 119.914 -1.021 0.000 2.472 76 V HA 0.510 4.629 4.120 -0.001 0.000 0.290 76 V C -0.436 174.943 176.094 -1.193 0.000 1.037 76 V CA -0.367 61.273 62.300 -1.100 0.000 0.908 76 V CB 1.388 32.192 31.823 -1.698 0.000 0.985 76 V HN 0.769 nan 8.190 nan 0.000 0.454 77 F N 3.703 123.323 119.950 -0.551 0.000 2.402 77 F HA 0.455 4.981 4.527 -0.001 0.000 0.355 77 F C 0.218 175.905 175.800 -0.188 0.000 1.123 77 F CA -0.351 57.420 58.000 -0.381 0.000 1.021 77 F CB 0.984 39.730 39.000 -0.423 0.000 1.160 77 F HN 0.514 nan 8.300 nan 0.000 0.451 78 H N 2.640 121.682 119.070 -0.048 0.000 2.505 78 H HA 0.630 5.185 4.556 -0.001 0.000 0.338 78 H C -0.032 175.364 175.328 0.113 0.000 1.057 78 H CA -0.015 56.078 56.048 0.075 0.000 1.202 78 H CB 1.568 31.437 29.762 0.178 0.000 1.466 78 H HN 0.838 nan 8.280 nan 0.000 0.499 79 G N 3.795 112.470 108.800 -0.208 0.000 2.712 79 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.686 79 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.686 79 G C -0.072 174.839 174.900 0.018 0.000 1.181 79 G CA 0.018 45.106 45.100 -0.020 0.000 0.762 79 G HN 0.681 nan 8.290 nan 0.000 0.641 80 Y N 0.907 121.153 120.300 -0.089 0.000 2.081 80 Y HA -0.190 4.359 4.550 -0.001 0.000 0.280 80 Y C 2.710 178.515 175.900 -0.158 0.000 1.163 80 Y CA 2.921 60.874 58.100 -0.246 0.000 1.135 80 Y CB 0.050 38.139 38.460 -0.619 0.000 0.970 80 Y HN 0.652 nan 8.280 nan 0.000 0.498 81 E N 0.353 120.478 120.200 -0.126 0.000 2.058 81 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 81 E C 2.423 178.959 176.600 -0.107 0.000 0.997 81 E CA 1.355 57.664 56.400 -0.152 0.000 0.801 81 E CB -0.890 28.837 29.700 0.045 0.000 0.746 81 E HN 0.601 nan 8.360 nan 0.000 0.450 82 A N 0.934 123.774 122.820 0.032 0.000 1.898 82 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 82 A C 2.649 180.225 177.584 -0.013 0.000 1.181 82 A CA 1.332 53.487 52.037 0.196 0.000 0.620 82 A CB -0.608 18.557 19.000 0.275 0.000 0.819 82 A HN 0.132 nan 8.150 nan 0.000 0.442 83 V N 0.481 120.301 119.914 -0.158 0.000 2.343 83 V HA -0.259 3.860 4.120 -0.001 0.000 0.247 83 V C 2.554 178.399 176.094 -0.415 0.000 1.051 83 V CA 2.346 64.459 62.300 -0.312 0.000 1.036 83 V CB -0.636 31.047 31.823 -0.232 0.000 0.654 83 V HN 0.662 nan 8.190 nan 0.000 0.451 84 K N 0.215 120.326 120.400 -0.482 0.000 2.026 84 K HA -0.257 4.062 4.320 -0.001 0.000 0.208 84 K C 2.260 178.665 176.600 -0.325 0.000 1.048 84 K CA 2.059 58.055 56.287 -0.485 0.000 0.929 84 K CB -0.187 31.831 32.500 -0.803 0.000 0.713 84 K HN 0.553 nan 8.250 nan 0.000 0.439 85 E N -0.222 119.833 120.200 -0.241 0.000 2.118 85 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 85 E C 1.628 178.146 176.600 -0.138 0.000 0.992 85 E CA 1.131 57.465 56.400 -0.110 0.000 0.804 85 E CB -0.049 29.651 29.700 0.000 0.000 0.741 85 E HN 0.438 nan 8.360 nan 0.000 0.458 86 A N 0.805 123.367 122.820 -0.430 0.000 1.831 86 A HA -0.060 4.259 4.320 -0.001 0.000 0.213 86 A C 2.157 179.189 177.584 -0.919 0.000 1.223 86 A CA 0.865 52.166 52.037 -1.225 0.000 0.604 86 A CB -0.765 16.848 19.000 -2.310 0.000 0.878 86 A HN 0.265 nan 8.150 nan 0.000 0.450 87 L N -0.651 120.156 121.223 -0.693 0.000 2.131 87 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 87 L C 2.238 179.017 176.870 -0.151 0.000 1.092 87 L CA 1.142 55.770 54.840 -0.353 0.000 0.759 87 L CB -0.447 41.417 42.059 -0.324 0.000 0.903 87 L HN 0.428 nan 8.230 nan 0.000 0.435 88 I N -1.355 119.118 120.570 -0.161 0.000 3.132 88 I HA -0.066 4.104 4.170 -0.001 0.000 0.255 88 I C 1.662 177.758 176.117 -0.036 0.000 1.118 88 I CA 0.316 61.575 61.300 -0.069 0.000 1.463 88 I CB -0.208 37.748 38.000 -0.074 0.000 1.356 88 I HN 0.033 nan 8.210 nan 0.000 0.463 89 D N 1.265 121.628 120.400 -0.061 0.000 2.310 89 D HA -0.074 4.565 4.640 -0.001 0.000 0.212 89 D C 0.694 177.011 176.300 0.029 0.000 0.965 89 D CA 1.025 55.012 54.000 -0.022 0.000 0.879 89 D CB -0.179 40.593 40.800 -0.046 0.000 0.921 89 D HN 0.331 nan 8.370 nan 0.000 0.510 90 N N -0.256 118.479 118.700 0.059 0.000 2.451 90 N HA 0.091 4.830 4.740 -0.001 0.000 0.271 90 N C 1.405 177.064 175.510 0.250 0.000 1.410 90 N CA -0.049 53.117 53.050 0.193 0.000 0.884 90 N CB 1.291 39.998 38.487 0.368 0.000 1.332 90 N HN 0.022 nan 8.380 nan 0.000 0.498 91 G N 1.413 110.294 108.800 0.135 0.000 2.505 91 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.220 91 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.220 91 G C 1.445 176.451 174.900 0.177 0.000 1.145 91 G CA 1.147 46.334 45.100 0.144 0.000 0.761 91 G HN 0.299 nan 8.290 nan 0.000 0.571 92 E N 0.927 121.215 120.200 0.146 0.000 2.051 92 E HA -0.086 4.263 4.350 -0.001 0.000 0.192 92 E C 2.425 179.078 176.600 0.087 0.000 0.991 92 E CA 1.625 58.100 56.400 0.125 0.000 0.799 92 E CB -0.362 29.396 29.700 0.097 0.000 0.748 92 E HN 0.511 nan 8.360 nan 0.000 0.449 93 E N -0.890 119.353 120.200 0.072 0.000 2.153 93 E HA -0.105 4.244 4.350 -0.001 0.000 0.194 93 E C 1.085 177.561 176.600 -0.207 0.000 0.988 93 E CA 0.997 57.353 56.400 -0.073 0.000 0.811 93 E CB -0.211 29.424 29.700 -0.109 0.000 0.746 93 E HN 0.300 nan 8.360 nan 0.000 0.466 94 F N -0.001 119.936 119.950 -0.022 0.000 2.645 94 F HA 0.123 4.649 4.527 -0.001 0.000 0.300 94 F C 1.495 177.328 175.800 0.056 0.000 1.115 94 F CA -0.012 57.968 58.000 -0.033 0.000 1.355 94 F CB 0.263 39.179 39.000 -0.140 0.000 1.026 94 F HN -0.049 nan 8.300 nan 0.000 0.536 95 S N -1.326 114.427 115.700 0.088 0.000 2.593 95 S HA 0.208 4.677 4.470 -0.001 0.000 0.217 95 S C 1.203 175.548 174.600 -0.426 0.000 0.966 95 S CA -0.058 58.096 58.200 -0.076 0.000 0.914 95 S CB -0.434 62.784 63.200 0.030 0.000 0.776 95 S HN 0.172 nan 8.310 nan 0.000 0.523 96 G N 1.365 109.986 108.800 -0.299 0.000 2.503 96 G HA2 0.476 4.435 3.960 -0.001 0.000 0.257 96 G HA3 0.476 4.435 3.960 -0.001 0.000 0.257 96 G C -0.475 174.149 174.900 -0.459 0.000 1.214 96 G CA -0.870 44.001 45.100 -0.382 0.000 0.839 96 G HN 0.411 nan 8.290 nan 0.000 0.559 97 R N 0.773 120.997 120.500 -0.459 0.000 2.254 97 R HA 0.485 4.824 4.340 -0.001 0.000 0.318 97 R C 0.593 176.759 176.300 -0.224 0.000 1.031 97 R CA -0.276 55.589 56.100 -0.393 0.000 0.905 97 R CB 0.710 30.790 30.300 -0.366 0.000 1.050 97 R HN 0.541 nan 8.270 nan 0.000 0.456 98 G N 3.708 112.411 108.800 -0.161 0.000 2.367 98 G HA2 0.112 4.072 3.960 -0.001 0.000 0.280 98 G HA3 0.112 4.072 3.960 -0.001 0.000 0.280 98 G C -0.654 174.189 174.900 -0.094 0.000 1.175 98 G CA -0.447 44.590 45.100 -0.105 0.000 1.001 98 G HN 0.734 nan 8.290 nan 0.000 0.437 99 N N 0.027 118.676 118.700 -0.085 0.000 2.476 99 N HA 0.675 5.414 4.740 -0.001 0.000 0.276 99 N C 0.082 175.563 175.510 -0.048 0.000 1.204 99 N CA -0.400 52.612 53.050 -0.063 0.000 0.974 99 N CB 1.690 40.143 38.487 -0.056 0.000 1.204 99 N HN 0.608 nan 8.380 nan 0.000 0.543 100 S N -1.152 114.529 115.700 -0.031 0.000 2.618 100 S HA 0.518 4.987 4.470 -0.001 0.000 0.277 100 S C -2.385 172.214 174.600 -0.002 0.000 1.138 100 S CA -1.235 56.954 58.200 -0.019 0.000 0.844 100 S CB 2.075 65.266 63.200 -0.015 0.000 1.127 100 S HN 0.182 nan 8.310 nan 0.000 0.474 101 P HA -0.015 nan 4.420 nan 0.000 0.215 101 P C 1.302 178.620 177.300 0.029 0.000 1.153 101 P CA 1.104 64.221 63.100 0.027 0.000 0.853 101 P CB -0.082 31.645 31.700 0.045 0.000 0.788 102 I N -1.331 119.256 120.570 0.028 0.000 2.286 102 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 102 I C 2.254 178.373 176.117 0.003 0.000 1.115 102 I CA 1.379 62.688 61.300 0.015 0.000 1.392 102 I CB -0.607 37.403 38.000 0.016 0.000 1.065 102 I HN -0.055 nan 8.210 nan 0.000 0.418 103 S N 0.048 115.751 115.700 0.005 0.000 2.356 103 S HA -0.182 4.287 4.470 -0.001 0.000 0.223 103 S C 1.982 176.585 174.600 0.006 0.000 1.032 103 S CA 1.123 59.325 58.200 0.004 0.000 1.005 103 S CB -0.160 63.037 63.200 -0.004 0.000 0.867 103 S HN 0.406 nan 8.310 nan 0.000 0.449 104 Q N 0.504 120.307 119.800 0.005 0.000 2.226 104 Q HA 0.012 4.352 4.340 -0.001 0.000 0.204 104 Q C 2.168 178.176 176.000 0.014 0.000 0.975 104 Q CA 0.922 56.730 55.803 0.009 0.000 0.866 104 Q CB -0.204 28.539 28.738 0.008 0.000 0.915 104 Q HN 0.435 nan 8.270 nan 0.000 0.440 105 R N -0.205 120.302 120.500 0.012 0.000 2.127 105 R HA 0.082 4.421 4.340 -0.001 0.000 0.217 105 R C 2.170 178.469 176.300 -0.003 0.000 1.074 105 R CA 0.414 56.520 56.100 0.010 0.000 0.991 105 R CB 0.151 30.457 30.300 0.011 0.000 0.895 105 R HN 0.181 nan 8.270 nan 0.000 0.450 106 I N -0.487 120.079 120.570 -0.007 0.000 2.339 106 I HA -0.170 3.999 4.170 -0.001 0.000 0.245 106 I C 2.241 178.369 176.117 0.018 0.000 1.096 106 I CA 1.497 62.795 61.300 -0.003 0.000 1.408 106 I CB -0.140 37.861 38.000 0.002 0.000 1.092 106 I HN 0.274 nan 8.210 nan 0.000 0.423 107 T N -2.928 111.641 114.554 0.024 0.000 3.044 107 T HA 0.097 4.446 4.350 -0.001 0.000 0.255 107 T C 1.068 175.784 174.700 0.028 0.000 1.073 107 T CA 0.119 62.239 62.100 0.033 0.000 1.125 107 T CB 0.053 68.943 68.868 0.037 0.000 0.908 107 T HN 0.218 nan 8.240 nan 0.000 0.480 108 K N 0.498 120.911 120.400 0.022 0.000 3.341 108 K HA -0.152 4.168 4.320 -0.001 0.000 0.305 108 K C 0.988 177.600 176.600 0.020 0.000 1.270 108 K CA 0.366 56.665 56.287 0.020 0.000 0.897 108 K CB -2.055 30.458 32.500 0.021 0.000 1.264 108 K HN 0.883 nan 8.250 nan 0.000 0.468 109 G N 0.042 108.854 108.800 0.020 0.000 2.159 109 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.256 109 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.256 109 G C 0.136 175.054 174.900 0.031 0.000 0.977 109 G CA 0.530 45.642 45.100 0.020 0.000 0.652 109 G HN 0.195 nan 8.290 nan 0.000 0.531 110 L N -0.162 121.081 121.223 0.034 0.000 2.439 110 L HA 0.673 5.012 4.340 -0.001 0.000 0.259 110 L C 1.520 178.423 176.870 0.056 0.000 1.129 110 L CA 0.309 55.172 54.840 0.039 0.000 0.803 110 L CB 0.992 43.070 42.059 0.031 0.000 1.161 110 L HN 1.129 nan 8.230 nan 0.000 0.462 111 G N 0.819 109.657 108.800 0.064 0.000 2.484 111 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.225 111 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.225 111 G C 0.023 175.005 174.900 0.138 0.000 1.250 111 G CA 0.301 45.457 45.100 0.093 0.000 0.926 111 G HN 0.733 nan 8.290 nan 0.000 0.581 112 I N -0.272 120.394 120.570 0.160 0.000 3.812 112 I HA 0.326 4.496 4.170 -0.001 0.000 0.292 112 I C 2.497 178.748 176.117 0.225 0.000 1.206 112 I CA 0.316 61.758 61.300 0.237 0.000 1.370 112 I CB 0.006 38.140 38.000 0.223 0.000 1.328 112 I HN 0.549 nan 8.210 nan 0.000 0.453 113 I N 0.919 121.567 120.570 0.130 0.000 2.179 113 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 113 I C 1.795 177.918 176.117 0.010 0.000 1.088 113 I CA 1.561 62.904 61.300 0.071 0.000 1.357 113 I CB -0.260 37.773 38.000 0.056 0.000 1.051 113 I HN 0.155 nan 8.210 nan 0.000 0.409 114 S N 0.049 115.762 115.700 0.022 0.000 2.557 114 S HA 0.115 4.584 4.470 -0.001 0.000 0.223 114 S C 0.684 175.274 174.600 -0.018 0.000 0.969 114 S CA -0.272 57.919 58.200 -0.015 0.000 0.927 114 S CB -0.045 63.157 63.200 0.002 0.000 0.806 114 S HN 0.471 nan 8.310 nan 0.000 0.489 115 S N 1.879 117.595 115.700 0.026 0.000 2.672 115 S HA 0.581 5.051 4.470 -0.001 0.000 0.276 115 S C -0.227 174.374 174.600 0.000 0.000 1.207 115 S CA -0.723 57.510 58.200 0.055 0.000 1.002 115 S CB 1.076 64.361 63.200 0.142 0.000 0.998 115 S HN 0.216 nan 8.310 nan 0.000 0.542 116 N N -1.009 117.715 118.700 0.040 0.000 2.902 116 N HA 0.625 5.364 4.740 -0.001 0.000 0.268 116 N C 0.482 176.075 175.510 0.138 0.000 1.450 116 N CA 0.223 53.275 53.050 0.003 0.000 0.819 116 N CB 1.358 39.792 38.487 -0.087 0.000 1.540 116 N HN 1.059 nan 8.380 nan 0.000 0.545 117 G N 1.435 110.317 108.800 0.137 0.000 2.581 117 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.291 117 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.291 117 G C 0.945 175.960 174.900 0.190 0.000 1.277 117 G CA 1.045 46.233 45.100 0.147 0.000 0.959 117 G HN 0.763 nan 8.290 nan 0.000 0.554 118 K N 0.698 121.161 120.400 0.105 0.000 2.113 118 K HA -0.183 4.136 4.320 -0.001 0.000 0.208 118 K C 2.393 179.020 176.600 0.044 0.000 1.047 118 K CA 1.805 58.132 56.287 0.066 0.000 0.928 118 K CB -0.202 32.319 32.500 0.035 0.000 0.716 118 K HN 0.573 nan 8.250 nan 0.000 0.446 119 R N 0.269 120.802 120.500 0.055 0.000 2.081 119 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 119 R C 2.191 178.533 176.300 0.070 0.000 1.131 119 R CA 1.637 57.748 56.100 0.019 0.000 0.960 119 R CB -0.437 29.881 30.300 0.031 0.000 0.856 119 R HN 0.462 nan 8.270 nan 0.000 0.436 120 W N 1.901 123.187 121.300 -0.023 0.000 2.354 120 W HA -0.155 4.504 4.660 -0.001 0.000 0.315 120 W C 1.638 178.168 176.519 0.018 0.000 1.206 120 W CA 1.634 58.978 57.345 -0.003 0.000 1.290 120 W CB -0.254 29.201 29.460 -0.008 0.000 1.152 120 W HN -0.053 nan 8.180 nan 0.000 0.489 121 K N 0.010 120.279 120.400 -0.218 0.000 2.074 121 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 121 K C 1.942 178.380 176.600 -0.270 0.000 1.048 121 K CA 2.231 58.251 56.287 -0.445 0.000 0.926 121 K CB -0.428 31.971 32.500 -0.168 0.000 0.713 121 K HN 0.346 nan 8.250 nan 0.000 0.444 122 E N 0.329 120.453 120.200 -0.127 0.000 2.046 122 E HA -0.120 4.229 4.350 -0.001 0.000 0.190 122 E C 2.071 178.681 176.600 0.017 0.000 0.982 122 E CA 0.690 57.071 56.400 -0.032 0.000 0.800 122 E CB 0.067 29.717 29.700 -0.083 0.000 0.756 122 E HN 0.172 nan 8.360 nan 0.000 0.449 123 I N 0.978 121.488 120.570 -0.099 0.000 2.226 123 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 123 I C 2.494 178.729 176.117 0.196 0.000 1.100 123 I CA 1.284 62.623 61.300 0.065 0.000 1.374 123 I CB -0.876 37.164 38.000 0.068 0.000 1.057 123 I HN 0.104 nan 8.210 nan 0.000 0.413 124 R N 0.974 121.451 120.500 -0.038 0.000 2.066 124 R HA -0.164 4.175 4.340 -0.001 0.000 0.232 124 R C 2.509 178.792 176.300 -0.028 0.000 1.131 124 R CA 1.285 57.333 56.100 -0.087 0.000 0.955 124 R CB -0.162 29.860 30.300 -0.463 0.000 0.851 124 R HN 0.175 nan 8.270 nan 0.000 0.432 125 R N -0.371 120.092 120.500 -0.062 0.000 2.091 125 R HA -0.200 4.139 4.340 -0.001 0.000 0.238 125 R C 2.136 178.481 176.300 0.075 0.000 1.136 125 R CA 2.011 58.102 56.100 -0.015 0.000 0.959 125 R CB -0.463 29.829 30.300 -0.014 0.000 0.856 125 R HN 0.300 nan 8.270 nan 0.000 0.437 126 F N 0.874 120.860 119.950 0.060 0.000 2.113 126 F HA -0.128 4.399 4.527 -0.001 0.000 0.297 126 F C 2.171 178.008 175.800 0.063 0.000 1.103 126 F CA 1.865 59.898 58.000 0.055 0.000 1.248 126 F CB -0.405 38.711 39.000 0.193 0.000 0.999 126 F HN -0.041 nan 8.300 nan 0.000 0.475 127 S N 1.420 117.251 115.700 0.218 0.000 2.370 127 S HA -0.201 4.268 4.470 -0.001 0.000 0.226 127 S C 2.113 176.744 174.600 0.052 0.000 1.033 127 S CA 1.731 60.077 58.200 0.244 0.000 1.011 127 S CB -0.695 62.754 63.200 0.415 0.000 0.852 127 S HN 0.411 nan 8.310 nan 0.000 0.457 128 L N 1.176 122.400 121.223 0.001 0.000 2.046 128 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 128 L C 3.053 179.869 176.870 -0.089 0.000 1.077 128 L CA 1.696 56.515 54.840 -0.035 0.000 0.747 128 L CB -1.328 40.709 42.059 -0.038 0.000 0.896 128 L HN 0.512 nan 8.230 nan 0.000 0.432 129 T N -3.948 110.516 114.554 -0.150 0.000 2.821 129 T HA -0.176 4.174 4.350 -0.001 0.000 0.267 129 T C 1.827 176.392 174.700 -0.225 0.000 1.046 129 T CA 1.548 63.544 62.100 -0.173 0.000 1.139 129 T CB -0.721 68.039 68.868 -0.179 0.000 0.871 129 T HN 0.450 nan 8.240 nan 0.000 0.454 130 T N -0.213 114.113 114.554 -0.380 0.000 3.055 130 T HA 0.236 4.585 4.350 -0.001 0.000 0.265 130 T C 1.685 176.317 174.700 -0.114 0.000 1.111 130 T CA 0.198 62.084 62.100 -0.356 0.000 1.118 130 T CB -0.597 67.834 68.868 -0.729 0.000 0.909 130 T HN 0.420 nan 8.240 nan 0.000 0.501 131 L N 0.317 121.513 121.223 -0.045 0.000 2.611 131 L HA 0.317 4.656 4.340 -0.001 0.000 0.229 131 L C 1.193 178.032 176.870 -0.053 0.000 1.137 131 L CA -0.382 54.458 54.840 -0.001 0.000 0.901 131 L CB -0.109 41.962 42.059 0.020 0.000 1.098 131 L HN 0.106 nan 8.230 nan 0.000 0.456 132 R N -0.004 120.458 120.500 -0.063 0.000 2.679 132 R HA -0.016 4.323 4.340 -0.001 0.000 0.269 132 R C 1.054 177.312 176.300 -0.071 0.000 1.076 132 R CA -0.285 55.782 56.100 -0.054 0.000 1.160 132 R CB 0.341 30.622 30.300 -0.031 0.000 1.054 132 R HN -0.064 nan 8.270 nan 0.000 0.507 133 N N 0.908 119.556 118.700 -0.087 0.000 2.091 133 N HA -0.207 4.532 4.740 -0.001 0.000 0.193 133 N C 0.084 175.360 175.510 -0.391 0.000 1.021 133 N CA 1.787 54.700 53.050 -0.229 0.000 0.862 133 N CB 0.050 38.418 38.487 -0.199 0.000 1.018 133 N HN 0.468 nan 8.380 nan 0.000 0.429 134 F N -1.642 118.280 119.950 -0.047 0.000 2.855 134 F HA 0.441 4.967 4.527 -0.001 0.000 0.317 134 F C 1.573 177.342 175.800 -0.052 0.000 1.169 134 F CA -0.442 57.532 58.000 -0.043 0.000 1.299 134 F CB 0.643 39.619 39.000 -0.040 0.000 0.962 134 F HN -0.015 nan 8.300 nan 0.000 0.506 135 G N 0.455 109.282 108.800 0.043 0.000 2.920 135 G HA2 0.074 4.034 3.960 -0.001 0.000 0.208 135 G HA3 0.074 4.034 3.960 -0.001 0.000 0.208 135 G C 0.868 175.743 174.900 -0.043 0.000 1.159 135 G CA 0.056 45.145 45.100 -0.018 0.000 0.784 135 G HN 0.377 nan 8.290 nan 0.000 0.535 136 M N -1.556 118.042 119.600 -0.003 0.000 3.731 136 M HA 0.545 5.024 4.480 -0.001 0.000 0.442 136 M C 0.230 176.551 176.300 0.035 0.000 1.776 136 M CA -0.134 55.167 55.300 0.001 0.000 0.646 136 M CB 0.658 33.265 32.600 0.012 0.000 1.439 136 M HN 0.246 nan 8.290 nan 0.000 0.523 137 G N 1.557 110.390 108.800 0.055 0.000 2.409 137 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.421 137 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.421 137 G C -0.297 174.676 174.900 0.122 0.000 1.259 137 G CA -0.357 44.784 45.100 0.069 0.000 1.011 137 G HN 0.405 nan 8.290 nan 0.000 0.497 138 K N -0.134 120.326 120.400 0.101 0.000 2.148 138 K HA -0.000 4.319 4.320 -0.001 0.000 0.204 138 K C 1.611 178.315 176.600 0.173 0.000 1.050 138 K CA 0.971 57.337 56.287 0.131 0.000 0.942 138 K CB 0.091 32.634 32.500 0.071 0.000 0.724 138 K HN 0.410 nan 8.250 nan 0.000 0.446 139 R N 2.194 122.749 120.500 0.091 0.000 2.216 139 R HA 0.047 4.386 4.340 -0.001 0.000 0.332 139 R C -0.368 175.893 176.300 -0.065 0.000 1.056 139 R CA -0.188 55.932 56.100 0.033 0.000 0.901 139 R CB 0.747 31.051 30.300 0.007 0.000 1.039 139 R HN 0.082 nan 8.270 nan 0.000 0.456 140 S N 3.621 119.185 115.700 -0.228 0.000 2.600 140 S HA 0.093 4.563 4.470 -0.001 0.000 0.265 140 S C 1.536 175.932 174.600 -0.339 0.000 1.325 140 S CA -0.687 57.148 58.200 -0.608 0.000 1.002 140 S CB 0.810 63.341 63.200 -1.115 0.000 0.921 140 S HN 0.674 nan 8.310 nan 0.000 0.554 141 I N 0.681 121.048 120.570 -0.339 0.000 2.353 141 I HA -0.124 4.045 4.170 -0.001 0.000 0.248 141 I C 2.796 178.799 176.117 -0.190 0.000 1.119 141 I CA 1.569 62.746 61.300 -0.205 0.000 1.417 141 I CB -0.441 37.453 38.000 -0.176 0.000 1.078 141 I HN 0.930 nan 8.210 nan 0.000 0.421 142 E N 1.356 121.415 120.200 -0.235 0.000 2.097 142 E HA -0.341 4.008 4.350 -0.001 0.000 0.196 142 E C 1.715 178.238 176.600 -0.127 0.000 1.000 142 E CA 2.109 58.405 56.400 -0.173 0.000 0.804 142 E CB -0.073 29.525 29.700 -0.171 0.000 0.740 142 E HN 0.435 nan 8.360 nan 0.000 0.454 143 D N -0.603 119.716 120.400 -0.134 0.000 2.178 143 D HA -0.133 4.506 4.640 -0.001 0.000 0.201 143 D C 1.994 178.259 176.300 -0.059 0.000 0.980 143 D CA 1.171 55.123 54.000 -0.079 0.000 0.842 143 D CB 0.118 40.877 40.800 -0.069 0.000 0.948 143 D HN 0.145 nan 8.370 nan 0.000 0.472 144 R N -0.447 120.011 120.500 -0.070 0.000 2.075 144 R HA -0.034 4.306 4.340 -0.001 0.000 0.232 144 R C 2.381 178.668 176.300 -0.022 0.000 1.126 144 R CA 1.007 57.083 56.100 -0.040 0.000 0.963 144 R CB -0.320 29.954 30.300 -0.044 0.000 0.858 144 R HN 0.124 nan 8.270 nan 0.000 0.435 145 V N 1.321 121.196 119.914 -0.064 0.000 2.427 145 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 145 V C 2.194 178.251 176.094 -0.061 0.000 1.051 145 V CA 1.676 63.914 62.300 -0.103 0.000 1.048 145 V CB -0.468 31.222 31.823 -0.223 0.000 0.666 145 V HN 0.349 nan 8.190 nan 0.000 0.456 146 Q N -0.278 119.499 119.800 -0.038 0.000 2.079 146 Q HA -0.241 4.099 4.340 -0.001 0.000 0.200 146 Q C 2.364 178.410 176.000 0.075 0.000 0.974 146 Q CA 1.752 57.564 55.803 0.015 0.000 0.840 146 Q CB -0.169 28.570 28.738 0.002 0.000 0.898 146 Q HN 0.717 nan 8.270 nan 0.000 0.430 147 E N 0.787 121.014 120.200 0.046 0.000 2.077 147 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 147 E C 1.753 178.434 176.600 0.135 0.000 0.989 147 E CA 1.104 57.537 56.400 0.056 0.000 0.800 147 E CB 0.170 29.873 29.700 0.006 0.000 0.746 147 E HN 0.158 nan 8.360 nan 0.000 0.452 148 E N 0.307 120.602 120.200 0.158 0.000 2.106 148 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 148 E C 1.726 178.560 176.600 0.390 0.000 0.984 148 E CA 1.295 57.847 56.400 0.253 0.000 0.806 148 E CB -0.284 29.613 29.700 0.328 0.000 0.750 148 E HN 0.344 nan 8.360 nan 0.000 0.458 149 A N 0.353 123.444 122.820 0.452 0.000 1.978 149 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 149 A C 2.237 179.993 177.584 0.287 0.000 1.170 149 A CA 1.824 54.151 52.037 0.484 0.000 0.636 149 A CB -0.898 18.292 19.000 0.317 0.000 0.810 149 A HN 0.498 nan 8.150 nan 0.000 0.448 150 H N -0.578 118.581 119.070 0.148 0.000 2.333 150 H HA -0.125 4.431 4.556 -0.001 0.000 0.302 150 H C 2.052 177.436 175.328 0.095 0.000 1.075 150 H CA 2.000 58.106 56.048 0.097 0.000 1.348 150 H CB -0.239 29.557 29.762 0.057 0.000 1.393 150 H HN 0.479 nan 8.280 nan 0.000 0.509 151 C N 0.850 120.262 119.300 0.186 0.000 2.422 151 C HA -0.106 4.354 4.460 -0.001 0.000 0.279 151 C C 2.932 178.030 174.990 0.179 0.000 1.305 151 C CA 0.616 59.704 59.018 0.116 0.000 1.757 151 C CB -1.143 26.590 27.740 -0.011 0.000 1.962 151 C HN 0.510 nan 8.230 nan 0.000 0.499 152 L N 2.153 123.478 121.223 0.170 0.000 2.027 152 L HA -0.071 4.269 4.340 -0.001 0.000 0.206 152 L C 2.694 179.559 176.870 -0.008 0.000 1.074 152 L CA 2.364 57.242 54.840 0.063 0.000 0.745 152 L CB -0.887 41.132 42.059 -0.067 0.000 0.898 152 L HN 0.332 nan 8.230 nan 0.000 0.433 153 V N -3.066 116.872 119.914 0.040 0.000 2.594 153 V HA -0.150 3.969 4.120 -0.001 0.000 0.253 153 V C 2.312 178.475 176.094 0.115 0.000 1.069 153 V CA 1.652 64.039 62.300 0.144 0.000 1.082 153 V CB -0.997 30.904 31.823 0.130 0.000 0.680 153 V HN 0.453 nan 8.190 nan 0.000 0.469 154 E N 0.189 120.387 120.200 -0.004 0.000 2.152 154 E HA -0.103 4.246 4.350 -0.001 0.000 0.192 154 E C 2.307 178.937 176.600 0.050 0.000 0.983 154 E CA 1.060 57.463 56.400 0.005 0.000 0.818 154 E CB -0.227 29.450 29.700 -0.039 0.000 0.758 154 E HN 0.665 nan 8.360 nan 0.000 0.467 155 E N 0.630 120.859 120.200 0.048 0.000 2.107 155 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 155 E C 2.317 178.865 176.600 -0.087 0.000 0.982 155 E CA 0.336 56.744 56.400 0.013 0.000 0.809 155 E CB -0.107 29.577 29.700 -0.026 0.000 0.756 155 E HN 0.276 nan 8.360 nan 0.000 0.459 156 L N 0.157 121.261 121.223 -0.197 0.000 2.131 156 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 156 L C 2.563 179.327 176.870 -0.176 0.000 1.092 156 L CA 0.902 55.474 54.840 -0.448 0.000 0.759 156 L CB -0.275 41.184 42.059 -1.001 0.000 0.903 156 L HN -0.004 nan 8.230 nan 0.000 0.435 157 R N 0.280 120.859 120.500 0.132 0.000 2.148 157 R HA -0.115 4.225 4.340 -0.001 0.000 0.227 157 R C 2.041 178.408 176.300 0.112 0.000 1.103 157 R CA 0.905 57.150 56.100 0.243 0.000 0.983 157 R CB -0.071 30.356 30.300 0.212 0.000 0.874 157 R HN 0.343 nan 8.270 nan 0.000 0.451 158 K N -0.072 120.361 120.400 0.056 0.000 2.439 158 K HA -0.050 4.269 4.320 -0.001 0.000 0.197 158 K C 1.730 178.349 176.600 0.032 0.000 1.041 158 K CA 1.414 57.727 56.287 0.043 0.000 0.970 158 K CB 0.111 32.634 32.500 0.039 0.000 0.773 158 K HN 0.269 nan 8.250 nan 0.000 0.479 159 T N -1.312 113.253 114.554 0.017 0.000 3.085 159 T HA 0.002 4.351 4.350 -0.001 0.000 0.263 159 T C 0.467 175.197 174.700 0.051 0.000 1.127 159 T CA 0.049 62.163 62.100 0.024 0.000 1.103 159 T CB -0.293 68.588 68.868 0.022 0.000 0.921 159 T HN 0.144 nan 8.240 nan 0.000 0.510 160 K N 0.749 121.192 120.400 0.071 0.000 3.071 160 K HA -0.183 4.136 4.320 -0.001 0.000 0.265 160 K C 0.786 177.438 176.600 0.087 0.000 1.060 160 K CA 0.219 56.554 56.287 0.080 0.000 0.767 160 K CB -2.319 30.214 32.500 0.055 0.000 1.241 160 K HN 0.904 nan 8.250 nan 0.000 0.486 161 A N -1.407 121.482 122.820 0.114 0.000 2.945 161 A HA -0.293 4.026 4.320 -0.001 0.000 0.263 161 A C 0.639 178.263 177.584 0.066 0.000 1.293 161 A CA 1.588 53.691 52.037 0.111 0.000 0.944 161 A CB -2.179 16.889 19.000 0.114 0.000 1.093 161 A HN 1.122 nan 8.150 nan 0.000 0.786 162 S N 0.133 115.867 115.700 0.056 0.000 2.610 162 S HA 0.685 5.154 4.470 -0.001 0.000 0.273 162 S C -1.858 172.757 174.600 0.026 0.000 1.274 162 S CA -1.016 57.204 58.200 0.033 0.000 1.023 162 S CB 1.224 64.440 63.200 0.026 0.000 0.962 162 S HN 0.539 nan 8.310 nan 0.000 0.523 163 P HA 0.220 nan 4.420 nan 0.000 0.265 163 P C -0.142 177.157 177.300 -0.001 0.000 1.193 163 P CA -0.233 62.862 63.100 -0.007 0.000 0.765 163 P CB -0.238 31.454 31.700 -0.013 0.000 0.823 164 C N 1.059 120.358 119.300 -0.002 0.000 3.288 164 C HA 0.562 5.021 4.460 -0.001 0.000 0.318 164 C C -0.732 174.232 174.990 -0.044 0.000 1.356 164 C CA -0.892 58.125 59.018 -0.002 0.000 1.359 164 C CB 1.635 29.399 27.740 0.041 0.000 1.688 164 C HN 0.487 nan 8.230 nan 0.000 0.467 165 D N 2.479 122.838 120.400 -0.069 0.000 2.347 165 D HA 0.404 5.043 4.640 -0.001 0.000 0.235 165 D C -1.089 175.148 176.300 -0.104 0.000 1.149 165 D CA -1.738 52.173 54.000 -0.147 0.000 0.850 165 D CB 1.512 42.238 40.800 -0.124 0.000 1.061 165 D HN 0.569 nan 8.370 nan 0.000 0.487 166 P HA -0.040 nan 4.420 nan 0.000 0.242 166 P C 1.093 178.342 177.300 -0.086 0.000 1.197 166 P CA 0.218 63.292 63.100 -0.042 0.000 0.765 166 P CB 0.369 32.126 31.700 0.095 0.000 0.936 167 T N 0.352 114.837 114.554 -0.115 0.000 2.597 167 T HA -0.226 4.124 4.350 -0.001 0.000 0.267 167 T C 1.359 176.036 174.700 -0.038 0.000 1.053 167 T CA 1.636 63.690 62.100 -0.076 0.000 1.165 167 T CB -0.964 67.870 68.868 -0.056 0.000 0.863 167 T HN 0.073 nan 8.240 nan 0.000 0.427 168 F N 1.264 121.135 119.950 -0.132 0.000 2.075 168 F HA 0.008 4.535 4.527 -0.001 0.000 0.297 168 F C 2.095 177.791 175.800 -0.173 0.000 1.113 168 F CA 0.948 58.868 58.000 -0.134 0.000 1.218 168 F CB -0.478 38.451 39.000 -0.118 0.000 0.984 168 F HN 0.094 nan 8.300 nan 0.000 0.472 169 I N -0.350 120.085 120.570 -0.224 0.000 2.286 169 I HA -0.286 3.884 4.170 -0.001 0.000 0.248 169 I C 2.005 177.857 176.117 -0.443 0.000 1.115 169 I CA 0.792 61.849 61.300 -0.406 0.000 1.392 169 I CB -0.462 37.370 38.000 -0.280 0.000 1.065 169 I HN 0.153 nan 8.210 nan 0.000 0.418 170 L N 0.447 121.484 121.223 -0.310 0.000 2.376 170 L HA 0.004 4.343 4.340 -0.001 0.000 0.219 170 L C 2.261 178.968 176.870 -0.271 0.000 1.133 170 L CA 1.368 56.042 54.840 -0.276 0.000 0.816 170 L CB -1.032 40.937 42.059 -0.150 0.000 0.933 170 L HN 0.179 nan 8.230 nan 0.000 0.449 171 G N -2.749 105.871 108.800 -0.301 0.000 2.595 171 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.213 171 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.213 171 G C 1.565 176.315 174.900 -0.250 0.000 1.141 171 G CA 0.558 45.505 45.100 -0.256 0.000 0.806 171 G HN 0.395 nan 8.290 nan 0.000 0.530 172 C N 1.006 120.079 119.300 -0.378 0.000 2.440 172 C HA 0.203 4.663 4.460 -0.001 0.000 0.278 172 C C 3.445 178.505 174.990 0.117 0.000 1.295 172 C CA 0.891 59.822 59.018 -0.145 0.000 1.738 172 C CB -0.720 26.696 27.740 -0.539 0.000 1.987 172 C HN 0.548 nan 8.230 nan 0.000 0.492 173 A N 1.686 124.441 122.820 -0.110 0.000 1.845 173 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 173 A C 0.171 177.815 177.584 0.100 0.000 1.195 173 A CA 1.826 53.823 52.037 -0.066 0.000 0.616 173 A CB -1.922 16.707 19.000 -0.619 0.000 0.832 173 A HN 0.418 nan 8.150 nan 0.000 0.443 174 P HA -0.117 nan 4.420 nan 0.000 0.218 174 P C 1.806 179.179 177.300 0.121 0.000 1.149 174 P CA 1.229 64.425 63.100 0.160 0.000 0.817 174 P CB -0.232 31.520 31.700 0.088 0.000 0.785 175 C N -0.806 118.584 119.300 0.149 0.000 2.446 175 C HA -0.042 4.418 4.460 -0.001 0.000 0.277 175 C C 2.517 177.751 174.990 0.406 0.000 1.275 175 C CA 1.138 60.306 59.018 0.251 0.000 1.727 175 C CB -2.078 25.817 27.740 0.257 0.000 2.010 175 C HN 0.159 nan 8.230 nan 0.000 0.486 176 N N 0.388 119.358 118.700 0.449 0.000 2.309 176 N HA -0.066 4.673 4.740 -0.001 0.000 0.182 176 N C 1.653 177.303 175.510 0.233 0.000 1.018 176 N CA 1.288 54.570 53.050 0.386 0.000 0.876 176 N CB -0.235 38.391 38.487 0.232 0.000 0.972 176 N HN 0.442 nan 8.380 nan 0.000 0.434 177 V N 1.255 121.279 119.914 0.183 0.000 2.295 177 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 177 V C 2.218 178.293 176.094 -0.032 0.000 1.049 177 V CA 1.057 63.413 62.300 0.094 0.000 1.024 177 V CB -0.327 31.565 31.823 0.115 0.000 0.648 177 V HN 0.261 nan 8.190 nan 0.000 0.447 178 I N -0.451 120.036 120.570 -0.138 0.000 2.286 178 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 178 I C 2.640 178.503 176.117 -0.423 0.000 1.115 178 I CA 1.502 62.533 61.300 -0.450 0.000 1.392 178 I CB -1.468 35.993 38.000 -0.899 0.000 1.065 178 I HN 0.395 nan 8.210 nan 0.000 0.418 179 C N 0.910 120.192 119.300 -0.030 0.000 2.429 179 C HA -0.143 4.316 4.460 -0.001 0.000 0.277 179 C C 3.245 178.337 174.990 0.170 0.000 1.262 179 C CA 1.528 60.743 59.018 0.327 0.000 1.733 179 C CB -1.122 27.121 27.740 0.838 0.000 2.010 179 C HN 0.674 nan 8.230 nan 0.000 0.483 180 S N 0.038 115.799 115.700 0.102 0.000 2.461 180 S HA -0.039 4.430 4.470 -0.001 0.000 0.228 180 S C 1.513 176.121 174.600 0.014 0.000 1.005 180 S CA 1.249 59.487 58.200 0.064 0.000 0.942 180 S CB -0.401 62.822 63.200 0.040 0.000 0.776 180 S HN 0.410 nan 8.310 nan 0.000 0.514 181 V N 1.766 121.642 119.914 -0.064 0.000 2.788 181 V HA 0.010 4.129 4.120 -0.001 0.000 0.251 181 V C 2.487 178.547 176.094 -0.055 0.000 1.068 181 V CA 1.253 63.507 62.300 -0.076 0.000 1.090 181 V CB 0.305 32.037 31.823 -0.151 0.000 0.710 181 V HN 0.674 nan 8.190 nan 0.000 0.467 182 V N -4.997 114.794 119.914 -0.206 0.000 3.379 182 V HA 0.238 4.358 4.120 -0.001 0.000 0.249 182 V C 1.571 177.620 176.094 -0.075 0.000 1.184 182 V CA 0.700 62.864 62.300 -0.226 0.000 1.106 182 V CB -0.251 31.216 31.823 -0.593 0.000 0.826 182 V HN 0.326 nan 8.190 nan 0.000 0.465 183 F N 2.533 122.611 119.950 0.214 0.000 2.661 183 F HA 0.411 4.938 4.527 -0.001 0.000 0.306 183 F C 1.838 177.765 175.800 0.212 0.000 1.094 183 F CA -0.304 57.853 58.000 0.262 0.000 1.254 183 F CB 0.157 39.306 39.000 0.248 0.000 1.040 183 F HN 0.382 nan 8.300 nan 0.000 0.562 184 Q N 1.976 121.946 119.800 0.284 0.000 2.755 184 Q HA -0.373 3.967 4.340 -0.001 0.000 0.190 184 Q C -0.384 175.666 176.000 0.083 0.000 2.840 184 Q CA 2.277 58.175 55.803 0.159 0.000 0.265 184 Q CB -1.704 27.122 28.738 0.147 0.000 0.240 184 Q HN 0.573 nan 8.270 nan 0.000 0.447 185 K N 2.273 122.709 120.400 0.061 0.000 2.164 185 K HA 0.668 4.988 4.320 -0.001 0.000 0.258 185 K C 0.161 176.716 176.600 -0.075 0.000 0.951 185 K CA -0.543 55.726 56.287 -0.030 0.000 0.844 185 K CB 1.727 34.175 32.500 -0.086 0.000 1.099 185 K HN 0.473 nan 8.250 nan 0.000 0.435 186 R N 1.383 121.839 120.500 -0.074 0.000 2.649 186 R HA 0.270 4.609 4.340 -0.001 0.000 0.270 186 R C -1.003 175.183 176.300 -0.189 0.000 1.105 186 R CA -0.542 55.523 56.100 -0.059 0.000 1.193 186 R CB 0.270 30.538 30.300 -0.055 0.000 1.120 186 R HN 0.445 nan 8.270 nan 0.000 0.561 187 F N -0.448 119.418 119.950 -0.140 0.000 2.408 187 F HA 0.204 4.730 4.527 -0.001 0.000 0.325 187 F C 0.921 176.483 175.800 -0.395 0.000 1.082 187 F CA -0.446 57.435 58.000 -0.198 0.000 1.032 187 F CB 1.019 39.905 39.000 -0.190 0.000 1.259 187 F HN 0.568 nan 8.300 nan 0.000 0.503 188 D N 0.551 120.929 120.400 -0.036 0.000 2.313 188 D HA 0.014 4.653 4.640 -0.001 0.000 0.247 188 D C 0.519 176.744 176.300 -0.126 0.000 1.094 188 D CA -0.039 53.872 54.000 -0.149 0.000 0.925 188 D CB 0.769 41.562 40.800 -0.012 0.000 1.188 188 D HN 0.589 nan 8.370 nan 0.000 0.430 189 Y N 0.962 121.216 120.300 -0.076 0.000 2.421 189 Y HA -0.101 4.449 4.550 -0.001 0.000 0.292 189 Y C 2.100 178.134 175.900 0.222 0.000 1.136 189 Y CA 0.118 58.235 58.100 0.028 0.000 1.255 189 Y CB 0.375 38.873 38.460 0.063 0.000 0.991 189 Y HN 0.162 nan 8.280 nan 0.000 0.552 190 K N -0.020 120.556 120.400 0.294 0.000 2.393 190 K HA -0.024 4.295 4.320 -0.001 0.000 0.193 190 K C -0.100 176.628 176.600 0.213 0.000 1.026 190 K CA 0.206 56.635 56.287 0.237 0.000 1.064 190 K CB -0.226 32.370 32.500 0.160 0.000 0.833 190 K HN 0.185 nan 8.250 nan 0.000 0.521 191 D N 1.850 122.392 120.400 0.237 0.000 2.472 191 D HA -0.091 4.548 4.640 -0.001 0.000 0.248 191 D C 1.089 177.509 176.300 0.200 0.000 1.174 191 D CA 0.406 54.543 54.000 0.229 0.000 0.883 191 D CB 1.240 42.234 40.800 0.324 0.000 1.149 191 D HN -0.058 nan 8.370 nan 0.000 0.488 192 Q N 3.801 123.675 119.800 0.123 0.000 2.124 192 Q HA -0.158 4.182 4.340 -0.001 0.000 0.202 192 Q C 1.291 177.282 176.000 -0.014 0.000 0.977 192 Q CA 1.505 57.342 55.803 0.056 0.000 0.850 192 Q CB 0.002 28.762 28.738 0.037 0.000 0.901 192 Q HN 0.486 nan 8.270 nan 0.000 0.429 193 N N -0.644 118.046 118.700 -0.015 0.000 2.223 193 N HA -0.141 4.598 4.740 -0.001 0.000 0.185 193 N C 1.390 176.673 175.510 -0.378 0.000 1.016 193 N CA 1.107 54.057 53.050 -0.166 0.000 0.863 193 N CB -0.304 38.172 38.487 -0.018 0.000 0.983 193 N HN 0.315 nan 8.380 nan 0.000 0.429 194 F N 1.334 120.984 119.950 -0.500 0.000 2.163 194 F HA 0.000 4.527 4.527 -0.001 0.000 0.297 194 F C 2.030 177.685 175.800 -0.242 0.000 1.094 194 F CA 0.495 58.143 58.000 -0.586 0.000 1.290 194 F CB -0.397 38.371 39.000 -0.385 0.000 1.017 194 F HN -0.160 nan 8.300 nan 0.000 0.483 195 L N 0.637 121.761 121.223 -0.166 0.000 1.989 195 L HA -0.208 4.131 4.340 -0.001 0.000 0.211 195 L C 2.878 179.622 176.870 -0.210 0.000 1.071 195 L CA 2.599 57.347 54.840 -0.152 0.000 0.749 195 L CB -1.381 40.702 42.059 0.039 0.000 0.890 195 L HN 0.448 nan 8.230 nan 0.000 0.431 196 T N -3.239 111.194 114.554 -0.202 0.000 2.821 196 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 196 T C 1.950 176.474 174.700 -0.294 0.000 1.046 196 T CA 0.973 62.948 62.100 -0.210 0.000 1.139 196 T CB -0.615 68.142 68.868 -0.186 0.000 0.871 196 T HN 0.183 nan 8.240 nan 0.000 0.454 197 L N 0.019 121.002 121.223 -0.400 0.000 2.046 197 L HA 0.119 4.458 4.340 -0.001 0.000 0.208 197 L C 2.390 179.074 176.870 -0.310 0.000 1.077 197 L CA 1.962 56.529 54.840 -0.455 0.000 0.747 197 L CB -0.870 40.862 42.059 -0.545 0.000 0.896 197 L HN 0.401 nan 8.230 nan 0.000 0.432 198 M N -0.835 118.561 119.600 -0.340 0.000 2.200 198 M HA -0.167 4.312 4.480 -0.001 0.000 0.265 198 M C 2.092 178.335 176.300 -0.096 0.000 1.066 198 M CA 1.244 56.407 55.300 -0.228 0.000 1.127 198 M CB -0.077 32.213 32.600 -0.515 0.000 1.379 198 M HN 0.058 nan 8.290 nan 0.000 0.420 199 K N 0.356 120.682 120.400 -0.124 0.000 2.097 199 K HA -0.090 4.230 4.320 -0.001 0.000 0.205 199 K C 1.911 178.470 176.600 -0.068 0.000 1.050 199 K CA 1.284 57.534 56.287 -0.062 0.000 0.938 199 K CB -0.224 32.233 32.500 -0.072 0.000 0.718 199 K HN 0.411 nan 8.250 nan 0.000 0.442 200 R N -0.925 119.482 120.500 -0.156 0.000 2.075 200 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 200 R C 2.422 178.631 176.300 -0.151 0.000 1.126 200 R CA 1.308 57.283 56.100 -0.208 0.000 0.963 200 R CB -0.325 29.754 30.300 -0.367 0.000 0.858 200 R HN 0.175 nan 8.270 nan 0.000 0.435 201 F N 0.916 120.823 119.950 -0.073 0.000 2.234 201 F HA -0.155 4.372 4.527 -0.001 0.000 0.299 201 F C 2.491 178.322 175.800 0.051 0.000 1.087 201 F CA 0.566 58.556 58.000 -0.017 0.000 1.340 201 F CB -0.105 38.872 39.000 -0.038 0.000 1.031 201 F HN 0.087 nan 8.300 nan 0.000 0.500 202 N N 0.643 119.466 118.700 0.205 0.000 2.135 202 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 202 N C 1.686 177.311 175.510 0.192 0.000 1.027 202 N CA 1.301 54.464 53.050 0.187 0.000 0.849 202 N CB -0.108 38.442 38.487 0.105 0.000 1.002 202 N HN 0.359 nan 8.380 nan 0.000 0.425 203 E N 0.241 120.499 120.200 0.096 0.000 2.051 203 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 203 E C 1.475 178.109 176.600 0.057 0.000 0.991 203 E CA 1.022 57.453 56.400 0.052 0.000 0.799 203 E CB -0.115 29.584 29.700 -0.002 0.000 0.748 203 E HN 0.333 nan 8.360 nan 0.000 0.449 204 N N 0.184 118.930 118.700 0.076 0.000 2.244 204 N HA -0.123 4.616 4.740 -0.001 0.000 0.183 204 N C 1.411 176.988 175.510 0.112 0.000 1.016 204 N CA 0.626 53.721 53.050 0.075 0.000 0.866 204 N CB -0.227 38.313 38.487 0.088 0.000 0.980 204 N HN 0.142 nan 8.380 nan 0.000 0.430 205 F N 1.562 121.553 119.950 0.068 0.000 2.113 205 F HA -0.046 4.480 4.527 -0.001 0.000 0.297 205 F C 2.144 177.965 175.800 0.036 0.000 1.103 205 F CA 1.232 59.267 58.000 0.059 0.000 1.248 205 F CB 0.008 39.046 39.000 0.064 0.000 0.999 205 F HN -0.110 nan 8.300 nan 0.000 0.475 206 R N 0.477 120.904 120.500 -0.121 0.000 2.091 206 R HA -0.156 4.183 4.340 -0.001 0.000 0.238 206 R C 2.269 178.445 176.300 -0.207 0.000 1.136 206 R CA 2.064 58.041 56.100 -0.205 0.000 0.959 206 R CB -0.644 29.657 30.300 0.001 0.000 0.856 206 R HN 0.399 nan 8.270 nan 0.000 0.437 207 I N 0.818 121.312 120.570 -0.127 0.000 2.202 207 I HA -0.267 3.903 4.170 -0.001 0.000 0.242 207 I C 1.998 178.033 176.117 -0.138 0.000 1.091 207 I CA 1.265 62.497 61.300 -0.113 0.000 1.368 207 I CB -0.135 37.817 38.000 -0.079 0.000 1.058 207 I HN 0.136 nan 8.210 nan 0.000 0.410 208 L N 0.345 121.477 121.223 -0.152 0.000 2.551 208 L HA -0.107 4.232 4.340 -0.001 0.000 0.228 208 L C 1.579 178.327 176.870 -0.204 0.000 1.153 208 L CA 0.614 55.373 54.840 -0.135 0.000 0.851 208 L CB -0.618 41.397 42.059 -0.073 0.000 0.959 208 L HN 0.286 nan 8.230 nan 0.000 0.451 209 N N -0.671 117.816 118.700 -0.355 0.000 2.280 209 N HA -0.042 4.697 4.740 -0.001 0.000 0.192 209 N C 0.600 175.996 175.510 -0.190 0.000 1.109 209 N CA -0.032 52.797 53.050 -0.369 0.000 0.855 209 N CB 0.391 38.435 38.487 -0.738 0.000 0.974 209 N HN 0.032 nan 8.380 nan 0.000 0.482 210 S N 0.081 115.703 115.700 -0.130 0.000 2.565 210 S HA 0.264 4.733 4.470 -0.001 0.000 0.276 210 S C -1.635 172.953 174.600 -0.020 0.000 1.326 210 S CA -1.303 56.871 58.200 -0.042 0.000 1.045 210 S CB 0.962 64.171 63.200 0.014 0.000 0.918 210 S HN 0.057 nan 8.310 nan 0.000 0.505 211 P HA 0.027 nan 4.420 nan 0.000 0.225 211 P C 0.403 177.644 177.300 -0.098 0.000 1.148 211 P CA 0.779 63.821 63.100 -0.096 0.000 0.779 211 P CB 0.011 31.605 31.700 -0.177 0.000 0.780 212 W N 0.176 121.430 121.300 -0.076 0.000 2.425 212 W HA -0.069 4.589 4.660 -0.002 0.000 0.277 212 W C 1.881 178.354 176.519 -0.076 0.000 1.231 212 W CA 0.286 57.571 57.345 -0.100 0.000 1.248 212 W CB -0.742 28.541 29.460 -0.295 0.000 1.117 212 W HN -0.002 nan 8.180 nan 0.000 0.568 213 I N -1.757 118.890 120.570 0.129 0.000 2.676 213 I HA -0.192 3.978 4.170 -0.001 0.000 0.259 213 I C 2.084 178.269 176.117 0.113 0.000 1.194 213 I CA 1.535 62.888 61.300 0.088 0.000 1.473 213 I CB -0.801 37.212 38.000 0.021 0.000 1.096 213 I HN -0.083 nan 8.210 nan 0.000 0.443 214 Q N 1.355 121.221 119.800 0.111 0.000 2.079 214 Q HA -0.042 4.297 4.340 -0.001 0.000 0.200 214 Q C 2.605 178.737 176.000 0.221 0.000 0.974 214 Q CA 1.805 57.696 55.803 0.147 0.000 0.840 214 Q CB -0.650 28.181 28.738 0.156 0.000 0.898 214 Q HN 0.584 nan 8.270 nan 0.000 0.430 215 V N 0.202 120.259 119.914 0.239 0.000 2.307 215 V HA -0.255 3.864 4.120 -0.001 0.000 0.245 215 V C 2.512 178.879 176.094 0.455 0.000 1.045 215 V CA 1.516 64.046 62.300 0.382 0.000 1.024 215 V CB -0.723 31.287 31.823 0.312 0.000 0.651 215 V HN 0.333 nan 8.190 nan 0.000 0.449 216 C N 0.219 119.744 119.300 0.374 0.000 2.435 216 C HA -0.083 4.376 4.460 -0.001 0.000 0.279 216 C C 2.677 177.799 174.990 0.220 0.000 1.321 216 C CA 0.712 59.931 59.018 0.334 0.000 1.752 216 C CB -1.434 26.480 27.740 0.289 0.000 1.959 216 C HN 0.597 nan 8.230 nan 0.000 0.500 217 N N 1.306 120.098 118.700 0.153 0.000 2.270 217 N HA -0.048 4.692 4.740 -0.001 0.000 0.181 217 N C 1.345 176.869 175.510 0.024 0.000 1.016 217 N CA 0.944 54.042 53.050 0.079 0.000 0.870 217 N CB -0.362 38.153 38.487 0.047 0.000 0.979 217 N HN 0.593 nan 8.380 nan 0.000 0.431 218 N N -0.555 118.135 118.700 -0.016 0.000 2.392 218 N HA 0.041 4.781 4.740 -0.001 0.000 0.177 218 N C -0.514 174.676 175.510 -0.533 0.000 1.066 218 N CA 0.286 53.180 53.050 -0.261 0.000 0.895 218 N CB 0.407 38.725 38.487 -0.283 0.000 0.988 218 N HN 0.122 nan 8.380 nan 0.000 0.457 219 F N 0.236 120.272 119.950 0.143 0.000 2.622 219 F HA 0.376 4.902 4.527 -0.001 0.000 0.338 219 F C -1.783 174.096 175.800 0.131 0.000 1.334 219 F CA -1.789 56.288 58.000 0.129 0.000 1.179 219 F CB 1.956 41.038 39.000 0.136 0.000 1.471 219 F HN -0.192 nan 8.300 nan 0.000 0.576 220 P HA -0.221 nan 4.420 nan 0.000 0.218 220 P C 1.808 179.210 177.300 0.170 0.000 1.146 220 P CA 1.526 64.726 63.100 0.166 0.000 0.820 220 P CB 0.265 32.031 31.700 0.110 0.000 0.778 221 L N -2.127 119.199 121.223 0.173 0.000 2.131 221 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 221 L C 1.978 178.920 176.870 0.121 0.000 1.092 221 L CA 0.976 55.891 54.840 0.125 0.000 0.759 221 L CB -0.816 41.309 42.059 0.110 0.000 0.903 221 L HN -0.021 nan 8.230 nan 0.000 0.435 222 L N -0.516 120.819 121.223 0.186 0.000 2.353 222 L HA -0.170 4.169 4.340 -0.001 0.000 0.220 222 L C 2.175 179.177 176.870 0.220 0.000 1.133 222 L CA 1.406 56.357 54.840 0.183 0.000 0.798 222 L CB -0.514 41.734 42.059 0.315 0.000 0.922 222 L HN 0.182 nan 8.230 nan 0.000 0.445 223 I N -0.664 120.053 120.570 0.245 0.000 2.361 223 I HA -0.275 3.895 4.170 -0.001 0.000 0.251 223 I C 1.747 177.963 176.117 0.166 0.000 1.133 223 I CA 1.021 62.493 61.300 0.286 0.000 1.413 223 I CB -0.339 37.812 38.000 0.251 0.000 1.073 223 I HN 0.285 nan 8.210 nan 0.000 0.424 224 D N 0.254 120.683 120.400 0.049 0.000 2.310 224 D HA -0.116 4.524 4.640 -0.001 0.000 0.212 224 D C 1.952 178.173 176.300 -0.131 0.000 0.965 224 D CA 1.018 54.990 54.000 -0.047 0.000 0.879 224 D CB -0.057 40.715 40.800 -0.046 0.000 0.921 224 D HN 0.419 nan 8.370 nan 0.000 0.510 225 C N 0.058 119.215 119.300 -0.238 0.000 2.576 225 C HA 0.046 4.506 4.460 -0.001 0.000 0.267 225 C C 0.734 175.216 174.990 -0.846 0.000 1.364 225 C CA -0.306 58.378 59.018 -0.557 0.000 1.723 225 C CB -1.429 25.856 27.740 -0.760 0.000 1.778 225 C HN 0.082 nan 8.230 nan 0.000 0.572 226 F N 0.417 120.316 119.950 -0.086 0.000 2.597 226 F HA 0.309 4.835 4.527 -0.002 0.000 0.336 226 F C -1.607 174.178 175.800 -0.026 0.000 1.432 226 F CA -2.218 55.731 58.000 -0.086 0.000 1.120 226 F CB -0.277 38.664 39.000 -0.097 0.000 1.253 226 F HN -0.003 nan 8.300 nan 0.000 0.546 227 P HA -0.142 nan 4.420 nan 0.000 0.215 227 P C 2.004 179.347 177.300 0.072 0.000 1.157 227 P CA 1.739 64.849 63.100 0.016 0.000 0.868 227 P CB 0.249 31.924 31.700 -0.042 0.000 0.788 228 G N -1.222 107.614 108.800 0.059 0.000 2.421 228 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.216 228 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.216 228 G C 1.492 176.434 174.900 0.070 0.000 1.171 228 G CA 1.536 46.667 45.100 0.052 0.000 0.775 228 G HN 0.191 nan 8.290 nan 0.000 0.543 229 T N -0.139 114.470 114.554 0.091 0.000 2.737 229 T HA -0.118 4.231 4.350 -0.001 0.000 0.265 229 T C 2.053 176.800 174.700 0.078 0.000 1.038 229 T CA 1.274 63.408 62.100 0.056 0.000 1.144 229 T CB -0.410 68.469 68.868 0.018 0.000 0.866 229 T HN 0.402 nan 8.240 nan 0.000 0.434 230 H N 2.012 121.105 119.070 0.039 0.000 2.319 230 H HA -0.073 4.482 4.556 -0.001 0.000 0.299 230 H C 2.020 177.358 175.328 0.016 0.000 1.092 230 H CA 1.681 57.749 56.048 0.035 0.000 1.302 230 H CB -0.299 29.495 29.762 0.055 0.000 1.373 230 H HN 0.188 nan 8.280 nan 0.000 0.497 231 N N 0.977 119.827 118.700 0.250 0.000 2.142 231 N HA -0.129 4.611 4.740 -0.001 0.000 0.186 231 N C 2.098 177.638 175.510 0.050 0.000 1.023 231 N CA 1.109 54.252 53.050 0.155 0.000 0.852 231 N CB -0.323 38.223 38.487 0.099 0.000 0.998 231 N HN 0.377 nan 8.380 nan 0.000 0.424 232 K N 1.065 121.482 120.400 0.028 0.000 2.009 232 K HA -0.058 4.261 4.320 -0.001 0.000 0.210 232 K C 1.807 178.387 176.600 -0.034 0.000 1.049 232 K CA 1.038 57.320 56.287 -0.008 0.000 0.929 232 K CB -0.308 32.186 32.500 -0.010 0.000 0.714 232 K HN -0.115 nan 8.250 nan 0.000 0.440 233 V N 1.424 121.311 119.914 -0.046 0.000 2.255 233 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 233 V C 2.350 178.396 176.094 -0.080 0.000 1.051 233 V CA 2.080 64.337 62.300 -0.071 0.000 1.018 233 V CB -0.491 31.272 31.823 -0.100 0.000 0.641 233 V HN 0.419 nan 8.190 nan 0.000 0.445 234 L N -0.184 120.984 121.223 -0.091 0.000 2.042 234 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 234 L C 2.663 179.509 176.870 -0.040 0.000 1.076 234 L CA 2.174 56.974 54.840 -0.067 0.000 0.749 234 L CB -0.366 41.672 42.059 -0.035 0.000 0.893 234 L HN 0.322 nan 8.230 nan 0.000 0.432 235 K N -0.312 120.069 120.400 -0.032 0.000 2.026 235 K HA -0.217 4.102 4.320 -0.001 0.000 0.208 235 K C 1.859 178.418 176.600 -0.068 0.000 1.048 235 K CA 1.846 58.111 56.287 -0.037 0.000 0.929 235 K CB -0.066 32.416 32.500 -0.030 0.000 0.713 235 K HN 0.360 nan 8.250 nan 0.000 0.439 236 N N 0.537 119.182 118.700 -0.091 0.000 2.166 236 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 236 N C 1.820 177.229 175.510 -0.168 0.000 1.019 236 N CA 1.162 54.123 53.050 -0.149 0.000 0.856 236 N CB -0.317 38.071 38.487 -0.165 0.000 0.993 236 N HN 0.031 nan 8.380 nan 0.000 0.426 237 V N 1.435 121.281 119.914 -0.113 0.000 2.427 237 V HA -0.151 3.968 4.120 -0.001 0.000 0.248 237 V C 2.386 178.445 176.094 -0.057 0.000 1.051 237 V CA 1.655 63.906 62.300 -0.082 0.000 1.048 237 V CB -0.886 30.914 31.823 -0.038 0.000 0.666 237 V HN 0.280 nan 8.190 nan 0.000 0.456 238 A N -0.100 122.692 122.820 -0.047 0.000 1.873 238 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 238 A C 2.206 179.774 177.584 -0.028 0.000 1.186 238 A CA 1.657 53.679 52.037 -0.025 0.000 0.616 238 A CB -0.505 18.485 19.000 -0.017 0.000 0.823 238 A HN 0.484 nan 8.150 nan 0.000 0.442 239 L N -0.783 120.407 121.223 -0.055 0.000 2.046 239 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 239 L C 2.754 179.594 176.870 -0.050 0.000 1.077 239 L CA 1.747 56.554 54.840 -0.056 0.000 0.747 239 L CB -0.876 41.126 42.059 -0.096 0.000 0.896 239 L HN 0.331 nan 8.230 nan 0.000 0.432 240 T N -1.040 113.441 114.554 -0.121 0.000 2.821 240 T HA -0.201 4.148 4.350 -0.001 0.000 0.267 240 T C 2.014 176.738 174.700 0.039 0.000 1.046 240 T CA 1.188 63.215 62.100 -0.123 0.000 1.139 240 T CB -0.131 68.535 68.868 -0.336 0.000 0.871 240 T HN 0.188 nan 8.240 nan 0.000 0.454 241 R N 1.359 121.873 120.500 0.024 0.000 2.073 241 R HA -0.098 4.241 4.340 -0.001 0.000 0.234 241 R C 2.732 179.070 176.300 0.063 0.000 1.134 241 R CA 1.874 58.007 56.100 0.054 0.000 0.952 241 R CB -0.359 29.960 30.300 0.031 0.000 0.850 241 R HN 0.464 nan 8.270 nan 0.000 0.433 242 S N -0.950 114.782 115.700 0.053 0.000 2.402 242 S HA -0.184 4.285 4.470 -0.001 0.000 0.229 242 S C 1.958 176.596 174.600 0.064 0.000 1.021 242 S CA 0.880 59.109 58.200 0.049 0.000 0.974 242 S CB -0.584 62.639 63.200 0.039 0.000 0.800 242 S HN 0.514 nan 8.310 nan 0.000 0.484 243 Y N 2.237 122.525 120.300 -0.021 0.000 2.163 243 Y HA 0.094 4.643 4.550 -0.001 0.000 0.288 243 Y C 1.959 177.859 175.900 -0.000 0.000 1.136 243 Y CA 1.256 59.340 58.100 -0.028 0.000 1.147 243 Y CB -0.405 38.019 38.460 -0.061 0.000 0.987 243 Y HN 0.242 nan 8.280 nan 0.000 0.509 244 I N -0.232 120.385 120.570 0.078 0.000 2.286 244 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 244 I C 2.478 178.602 176.117 0.012 0.000 1.115 244 I CA 1.287 62.651 61.300 0.108 0.000 1.392 244 I CB -0.404 37.745 38.000 0.247 0.000 1.065 244 I HN 0.152 nan 8.210 nan 0.000 0.418 245 R N 0.600 121.102 120.500 0.004 0.000 2.115 245 R HA -0.124 4.215 4.340 -0.001 0.000 0.230 245 R C 2.053 178.331 176.300 -0.036 0.000 1.111 245 R CA 1.096 57.194 56.100 -0.003 0.000 0.976 245 R CB -0.098 30.209 30.300 0.012 0.000 0.870 245 R HN 0.466 nan 8.270 nan 0.000 0.445 246 E N 0.069 120.211 120.200 -0.097 0.000 2.152 246 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 246 E C 1.789 178.305 176.600 -0.140 0.000 0.983 246 E CA 0.850 57.181 56.400 -0.114 0.000 0.818 246 E CB 0.161 29.773 29.700 -0.147 0.000 0.758 246 E HN 0.003 nan 8.360 nan 0.000 0.467 247 K N 0.680 120.936 120.400 -0.241 0.000 2.062 247 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 247 K C 1.937 178.579 176.600 0.071 0.000 1.051 247 K CA 0.446 56.625 56.287 -0.179 0.000 0.941 247 K CB -0.398 31.844 32.500 -0.431 0.000 0.719 247 K HN -0.025 nan 8.250 nan 0.000 0.440 248 V N 0.855 120.781 119.914 0.021 0.000 2.515 248 V HA -0.227 3.892 4.120 -0.001 0.000 0.250 248 V C 1.610 177.772 176.094 0.113 0.000 1.058 248 V CA 1.726 64.054 62.300 0.046 0.000 1.064 248 V CB -0.199 31.639 31.823 0.026 0.000 0.675 248 V HN 0.298 nan 8.190 nan 0.000 0.461 249 K N -0.393 120.049 120.400 0.070 0.000 2.147 249 K HA -0.183 4.137 4.320 -0.001 0.000 0.205 249 K C 2.044 178.691 176.600 0.079 0.000 1.049 249 K CA 1.825 58.150 56.287 0.063 0.000 0.936 249 K CB -0.135 32.382 32.500 0.029 0.000 0.722 249 K HN 0.608 nan 8.250 nan 0.000 0.446 250 E N -0.214 120.042 120.200 0.094 0.000 2.072 250 E HA -0.180 4.169 4.350 -0.001 0.000 0.191 250 E C 1.905 178.551 176.600 0.076 0.000 0.985 250 E CA 1.190 57.630 56.400 0.066 0.000 0.801 250 E CB -0.070 29.655 29.700 0.042 0.000 0.750 250 E HN 0.379 nan 8.360 nan 0.000 0.452 251 H N 0.630 119.723 119.070 0.037 0.000 2.357 251 H HA -0.060 4.495 4.556 -0.001 0.000 0.301 251 H C 2.034 177.393 175.328 0.053 0.000 1.082 251 H CA 1.310 57.394 56.048 0.060 0.000 1.342 251 H CB -0.060 29.762 29.762 0.101 0.000 1.389 251 H HN 0.148 nan 8.280 nan 0.000 0.511 252 Q N -0.271 119.635 119.800 0.176 0.000 2.135 252 Q HA -0.054 4.286 4.340 -0.001 0.000 0.204 252 Q C 1.751 177.791 176.000 0.067 0.000 0.981 252 Q CA 1.227 57.096 55.803 0.109 0.000 0.856 252 Q CB 0.042 28.834 28.738 0.090 0.000 0.902 252 Q HN 0.462 nan 8.270 nan 0.000 0.425 253 A N 0.321 123.172 122.820 0.052 0.000 2.370 253 A HA 0.098 4.418 4.320 -0.001 0.000 0.238 253 A C 1.015 178.605 177.584 0.011 0.000 1.289 253 A CA 0.488 52.541 52.037 0.027 0.000 0.885 253 A CB 0.188 19.199 19.000 0.020 0.000 0.961 253 A HN 0.273 nan 8.150 nan 0.000 0.499 254 S N -1.770 113.936 115.700 0.010 0.000 3.051 254 S HA 0.230 4.699 4.470 -0.001 0.000 0.250 254 S C -0.354 174.245 174.600 -0.001 0.000 0.906 254 S CA -0.383 57.810 58.200 -0.011 0.000 1.234 254 S CB -0.873 62.298 63.200 -0.049 0.000 1.175 254 S HN 0.312 nan 8.310 nan 0.000 0.635 255 L N 3.281 124.521 121.223 0.028 0.000 2.410 255 L HA 0.624 4.963 4.340 -0.001 0.000 0.273 255 L C -0.624 176.263 176.870 0.028 0.000 1.144 255 L CA 0.673 55.539 54.840 0.044 0.000 0.863 255 L CB 0.756 42.857 42.059 0.069 0.000 1.140 255 L HN 0.259 nan 8.230 nan 0.000 0.463 256 D N 3.705 124.121 120.400 0.027 0.000 2.461 256 D HA 0.067 4.706 4.640 -0.001 0.000 0.240 256 D C 0.802 177.114 176.300 0.021 0.000 1.094 256 D CA -0.249 53.762 54.000 0.018 0.000 0.868 256 D CB 1.508 42.315 40.800 0.011 0.000 1.062 256 D HN 0.400 nan 8.370 nan 0.000 0.530 257 V N 4.804 124.727 119.914 0.016 0.000 2.453 257 V HA -0.212 3.907 4.120 -0.001 0.000 0.252 257 V C 1.323 177.421 176.094 0.006 0.000 1.068 257 V CA 1.833 64.139 62.300 0.011 0.000 1.070 257 V CB -0.283 31.541 31.823 0.002 0.000 0.664 257 V HN 0.520 nan 8.190 nan 0.000 0.461 258 N N 0.719 119.422 118.700 0.004 0.000 2.416 258 N HA 0.009 4.748 4.740 -0.001 0.000 0.177 258 N C 0.385 175.898 175.510 0.006 0.000 1.036 258 N CA 0.632 53.683 53.050 0.001 0.000 0.901 258 N CB -0.138 38.347 38.487 -0.002 0.000 0.976 258 N HN 0.555 nan 8.380 nan 0.000 0.444 259 N N 1.353 120.061 118.700 0.013 0.000 2.841 259 N HA 0.280 5.019 4.740 -0.001 0.000 0.257 259 N C -2.787 172.741 175.510 0.030 0.000 1.396 259 N CA -0.945 52.117 53.050 0.019 0.000 0.823 259 N CB 1.835 40.331 38.487 0.014 0.000 1.162 259 N HN 0.003 nan 8.380 nan 0.000 0.503 260 P HA 0.219 nan 4.420 nan 0.000 0.271 260 P C 0.636 177.973 177.300 0.062 0.000 1.220 260 P CA -0.061 63.071 63.100 0.054 0.000 0.768 260 P CB 1.350 33.074 31.700 0.041 0.000 0.848 261 R N 1.613 122.165 120.500 0.087 0.000 2.146 261 R HA 0.111 4.450 4.340 -0.001 0.000 0.206 261 R C 0.275 176.644 176.300 0.115 0.000 1.049 261 R CA 0.864 57.016 56.100 0.088 0.000 1.029 261 R CB 0.018 30.367 30.300 0.083 0.000 0.949 261 R HN 0.630 nan 8.270 nan 0.000 0.471 262 D N -2.764 117.733 120.400 0.161 0.000 2.946 262 D HA -0.033 4.606 4.640 -0.001 0.000 0.337 262 D C 0.169 176.589 176.300 0.200 0.000 1.332 262 D CA -0.794 53.314 54.000 0.180 0.000 0.935 262 D CB -0.278 40.664 40.800 0.237 0.000 1.440 262 D HN -0.188 nan 8.370 nan 0.000 0.540 263 F N 0.206 120.196 119.950 0.066 0.000 2.126 263 F HA 0.040 4.567 4.527 -0.001 0.000 0.299 263 F C 1.949 177.870 175.800 0.202 0.000 1.096 263 F CA 1.513 59.574 58.000 0.102 0.000 1.255 263 F CB -0.122 38.896 39.000 0.031 0.000 0.997 263 F HN 0.312 nan 8.300 nan 0.000 0.479 264 I N -0.247 120.505 120.570 0.303 0.000 2.252 264 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 264 I C 1.953 178.190 176.117 0.201 0.000 1.102 264 I CA 1.332 62.739 61.300 0.180 0.000 1.385 264 I CB -0.561 37.346 38.000 -0.155 0.000 1.064 264 I HN 0.067 nan 8.210 nan 0.000 0.414 265 D N 0.547 121.089 120.400 0.235 0.000 2.097 265 D HA -0.157 4.482 4.640 -0.001 0.000 0.195 265 D C 2.298 178.690 176.300 0.153 0.000 0.989 265 D CA 1.262 55.389 54.000 0.212 0.000 0.827 265 D CB -0.381 40.536 40.800 0.195 0.000 0.966 265 D HN 0.351 nan 8.370 nan 0.000 0.456 266 C N 0.096 119.475 119.300 0.131 0.000 2.429 266 C HA -0.128 4.331 4.460 -0.001 0.000 0.277 266 C C 2.531 177.663 174.990 0.236 0.000 1.262 266 C CA 0.043 59.134 59.018 0.122 0.000 1.733 266 C CB -1.252 26.479 27.740 -0.015 0.000 2.010 266 C HN 0.267 nan 8.230 nan 0.000 0.483 267 F N 0.985 121.004 119.950 0.115 0.000 2.146 267 F HA -0.047 4.479 4.527 -0.001 0.000 0.298 267 F C 2.187 177.924 175.800 -0.106 0.000 1.096 267 F CA 1.403 59.327 58.000 -0.125 0.000 1.275 267 F CB -0.247 38.703 39.000 -0.084 0.000 1.008 267 F HN 0.090 nan 8.300 nan 0.000 0.480 268 L N -0.233 121.131 121.223 0.234 0.000 2.131 268 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 268 L C 2.281 179.171 176.870 0.034 0.000 1.092 268 L CA 1.183 56.113 54.840 0.150 0.000 0.759 268 L CB -0.581 41.572 42.059 0.157 0.000 0.903 268 L HN 0.209 nan 8.230 nan 0.000 0.435 269 I N -0.343 120.232 120.570 0.007 0.000 2.286 269 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 269 I C 2.585 178.624 176.117 -0.129 0.000 1.104 269 I CA 0.897 62.175 61.300 -0.036 0.000 1.397 269 I CB -0.142 37.849 38.000 -0.015 0.000 1.072 269 I HN 0.136 nan 8.210 nan 0.000 0.417 270 K N 1.282 121.532 120.400 -0.249 0.000 2.148 270 K HA -0.091 4.228 4.320 -0.001 0.000 0.204 270 K C 2.044 178.376 176.600 -0.447 0.000 1.050 270 K CA 1.575 57.572 56.287 -0.482 0.000 0.942 270 K CB -0.162 31.767 32.500 -0.951 0.000 0.724 270 K HN 0.168 nan 8.250 nan 0.000 0.446 271 M N -0.002 119.412 119.600 -0.311 0.000 2.213 271 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 271 M C 1.907 178.163 176.300 -0.074 0.000 1.062 271 M CA 1.644 56.867 55.300 -0.128 0.000 1.105 271 M CB -0.167 32.446 32.600 0.021 0.000 1.385 271 M HN 0.142 nan 8.290 nan 0.000 0.417 272 E N 0.829 120.986 120.200 -0.073 0.000 2.072 272 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 272 E C 1.736 178.298 176.600 -0.062 0.000 0.985 272 E CA 1.532 57.905 56.400 -0.045 0.000 0.801 272 E CB -0.098 29.582 29.700 -0.033 0.000 0.750 272 E HN 0.517 nan 8.360 nan 0.000 0.452 273 Q N -0.522 119.217 119.800 -0.101 0.000 2.364 273 Q HA -0.089 4.250 4.340 -0.001 0.000 0.207 273 Q C 1.018 176.963 176.000 -0.093 0.000 0.970 273 Q CA 1.107 56.849 55.803 -0.102 0.000 0.888 273 Q CB 0.109 28.763 28.738 -0.139 0.000 0.951 273 Q HN 0.146 nan 8.270 nan 0.000 0.469 274 E N 0.107 120.251 120.200 -0.093 0.000 2.548 274 E HA 0.057 4.406 4.350 -0.001 0.000 0.206 274 E C 1.013 177.605 176.600 -0.013 0.000 1.005 274 E CA -0.105 56.266 56.400 -0.049 0.000 0.951 274 E CB 0.334 30.012 29.700 -0.036 0.000 1.035 274 E HN 0.099 nan 8.360 nan 0.000 0.470 275 K N 0.642 121.032 120.400 -0.017 0.000 2.160 275 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 275 K C 0.665 177.267 176.600 0.004 0.000 1.047 275 K CA 1.746 58.032 56.287 -0.001 0.000 0.930 275 K CB 0.159 32.656 32.500 -0.004 0.000 0.720 275 K HN 0.144 nan 8.250 nan 0.000 0.450 276 D N 0.307 120.706 120.400 -0.002 0.000 2.149 276 D HA -0.128 4.512 4.640 -0.001 0.000 0.201 276 D C 0.530 176.834 176.300 0.006 0.000 0.972 276 D CA 0.673 54.674 54.000 0.001 0.000 0.835 276 D CB -0.387 40.411 40.800 -0.003 0.000 0.966 276 D HN 0.185 nan 8.370 nan 0.000 0.476 277 N N 1.443 120.148 118.700 0.008 0.000 2.442 277 N HA -0.062 4.678 4.740 -0.001 0.000 0.265 277 N C 0.683 176.205 175.510 0.020 0.000 1.138 277 N CA 0.087 53.146 53.050 0.014 0.000 0.956 277 N CB 0.948 39.446 38.487 0.018 0.000 1.067 277 N HN -0.237 nan 8.380 nan 0.000 0.474 278 Q N 2.227 122.038 119.800 0.018 0.000 2.424 278 Q HA 0.036 4.376 4.340 -0.001 0.000 0.204 278 Q C 0.024 176.036 176.000 0.021 0.000 0.933 278 Q CA 0.645 56.460 55.803 0.020 0.000 0.929 278 Q CB 0.201 28.949 28.738 0.016 0.000 1.037 278 Q HN 0.594 nan 8.270 nan 0.000 0.511 279 K N 0.610 121.022 120.400 0.019 0.000 2.811 279 K HA 0.133 4.452 4.320 -0.001 0.000 0.217 279 K C -0.485 176.126 176.600 0.018 0.000 1.115 279 K CA -0.110 56.187 56.287 0.016 0.000 1.179 279 K CB 0.252 32.761 32.500 0.014 0.000 0.994 279 K HN -0.137 nan 8.250 nan 0.000 0.464 280 S N 0.505 116.222 115.700 0.028 0.000 2.499 280 S HA 0.134 4.603 4.470 -0.001 0.000 0.279 280 S C 0.921 175.518 174.600 -0.004 0.000 1.219 280 S CA -0.626 57.600 58.200 0.044 0.000 1.062 280 S CB 1.086 64.338 63.200 0.088 0.000 0.978 280 S HN 0.283 nan 8.310 nan 0.000 0.489 281 E N 3.412 123.544 120.200 -0.113 0.000 2.274 281 E HA -0.023 4.327 4.350 -0.001 0.000 0.194 281 E C -0.377 176.024 176.600 -0.333 0.000 0.996 281 E CA 0.676 56.914 56.400 -0.270 0.000 0.840 281 E CB -0.088 29.341 29.700 -0.451 0.000 0.772 281 E HN 0.704 nan 8.360 nan 0.000 0.491 282 F N 2.842 122.753 119.950 -0.064 0.000 2.566 282 F HA 0.125 4.651 4.527 -0.001 0.000 0.349 282 F C 0.551 176.392 175.800 0.068 0.000 1.245 282 F CA -0.613 57.303 58.000 -0.140 0.000 1.169 282 F CB -0.363 38.304 39.000 -0.555 0.000 1.470 282 F HN -0.080 nan 8.300 nan 0.000 0.634 283 N N 0.248 119.155 118.700 0.346 0.000 2.697 283 N HA 0.453 5.192 4.740 -0.001 0.000 0.272 283 N C 0.408 176.059 175.510 0.235 0.000 1.381 283 N CA -0.945 52.248 53.050 0.238 0.000 0.797 283 N CB 0.923 39.480 38.487 0.117 0.000 1.523 283 N HN 0.189 nan 8.380 nan 0.000 0.518 284 I N -0.819 119.829 120.570 0.131 0.000 2.454 284 I HA -0.172 3.997 4.170 -0.001 0.000 0.254 284 I C 1.777 177.896 176.117 0.003 0.000 1.156 284 I CA 1.239 62.573 61.300 0.056 0.000 1.433 284 I CB -0.182 37.850 38.000 0.054 0.000 1.082 284 I HN 0.646 nan 8.210 nan 0.000 0.432 285 E N 1.243 121.458 120.200 0.025 0.000 2.047 285 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 285 E C 1.897 178.490 176.600 -0.012 0.000 0.987 285 E CA 1.232 57.639 56.400 0.011 0.000 0.799 285 E CB -0.086 29.628 29.700 0.024 0.000 0.752 285 E HN 0.302 nan 8.360 nan 0.000 0.449 286 N N -0.026 118.670 118.700 -0.007 0.000 2.396 286 N HA -0.104 4.636 4.740 -0.001 0.000 0.180 286 N C 1.599 176.991 175.510 -0.197 0.000 1.028 286 N CA 0.361 53.397 53.050 -0.022 0.000 0.893 286 N CB -0.053 38.469 38.487 0.058 0.000 0.967 286 N HN 0.163 nan 8.380 nan 0.000 0.440 287 L N 0.799 121.749 121.223 -0.455 0.000 2.027 287 L HA -0.027 4.312 4.340 -0.001 0.000 0.206 287 L C 1.982 178.679 176.870 -0.288 0.000 1.074 287 L CA 1.338 55.670 54.840 -0.847 0.000 0.745 287 L CB -0.732 40.790 42.059 -0.895 0.000 0.898 287 L HN -0.155 nan 8.230 nan 0.000 0.433 288 V N 0.314 120.150 119.914 -0.130 0.000 2.343 288 V HA -0.183 3.937 4.120 -0.001 0.000 0.247 288 V C 2.642 178.757 176.094 0.034 0.000 1.051 288 V CA 1.759 64.056 62.300 -0.004 0.000 1.036 288 V CB -1.722 30.112 31.823 0.019 0.000 0.654 288 V HN 0.614 nan 8.190 nan 0.000 0.451 289 G N -0.557 108.251 108.800 0.012 0.000 2.422 289 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.218 289 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.218 289 G C 1.689 176.625 174.900 0.059 0.000 1.146 289 G CA 1.491 46.619 45.100 0.047 0.000 0.769 289 G HN 0.474 nan 8.290 nan 0.000 0.547 290 T N 0.697 115.272 114.554 0.035 0.000 2.777 290 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 290 T C 2.565 177.265 174.700 -0.001 0.000 1.040 290 T CA 1.060 63.200 62.100 0.067 0.000 1.141 290 T CB -0.159 68.815 68.868 0.177 0.000 0.868 290 T HN 0.061 nan 8.240 nan 0.000 0.444 291 V N 1.794 121.716 119.914 0.013 0.000 2.295 291 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 291 V C 2.909 179.120 176.094 0.194 0.000 1.049 291 V CA 1.751 64.060 62.300 0.015 0.000 1.024 291 V CB -1.214 30.688 31.823 0.131 0.000 0.648 291 V HN 0.518 nan 8.190 nan 0.000 0.447 292 A N -0.134 122.832 122.820 0.243 0.000 1.908 292 A HA -0.284 4.036 4.320 -0.001 0.000 0.218 292 A C 1.977 179.694 177.584 0.221 0.000 1.181 292 A CA 2.184 54.420 52.037 0.331 0.000 0.627 292 A CB -0.711 18.447 19.000 0.264 0.000 0.818 292 A HN 0.540 nan 8.150 nan 0.000 0.445 293 D N 0.013 120.482 120.400 0.116 0.000 2.144 293 D HA -0.114 4.525 4.640 -0.001 0.000 0.199 293 D C 1.920 178.210 176.300 -0.017 0.000 0.984 293 D CA 0.950 54.986 54.000 0.060 0.000 0.834 293 D CB -0.296 40.539 40.800 0.057 0.000 0.955 293 D HN 0.474 nan 8.370 nan 0.000 0.465 294 L N -0.701 120.461 121.223 -0.100 0.000 2.093 294 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 294 L C 2.302 178.998 176.870 -0.289 0.000 1.085 294 L CA 0.778 55.469 54.840 -0.248 0.000 0.755 294 L CB -0.437 41.346 42.059 -0.460 0.000 0.904 294 L HN -0.002 nan 8.230 nan 0.000 0.435 295 F N -0.494 119.292 119.950 -0.273 0.000 2.113 295 F HA -0.198 4.328 4.527 -0.001 0.000 0.297 295 F C 2.438 177.924 175.800 -0.523 0.000 1.103 295 F CA 1.244 58.967 58.000 -0.462 0.000 1.248 295 F CB -0.449 38.109 39.000 -0.736 0.000 0.999 295 F HN -0.246 nan 8.300 nan 0.000 0.475 296 V N -0.280 119.527 119.914 -0.178 0.000 2.261 296 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 296 V C 2.426 178.494 176.094 -0.044 0.000 1.047 296 V CA 1.990 64.233 62.300 -0.095 0.000 1.015 296 V CB -1.150 30.709 31.823 0.059 0.000 0.642 296 V HN 0.356 nan 8.190 nan 0.000 0.446 297 A N -0.397 122.403 122.820 -0.034 0.000 2.067 297 A HA 0.155 4.474 4.320 -0.001 0.000 0.217 297 A C 2.144 179.708 177.584 -0.033 0.000 1.156 297 A CA 1.385 53.417 52.037 -0.008 0.000 0.683 297 A CB -0.466 18.541 19.000 0.011 0.000 0.808 297 A HN 0.557 nan 8.150 nan 0.000 0.455 298 G N -2.220 106.524 108.800 -0.094 0.000 2.939 298 G HA2 0.213 4.172 3.960 -0.001 0.000 0.216 298 G HA3 0.213 4.172 3.960 -0.001 0.000 0.216 298 G C 1.203 176.044 174.900 -0.097 0.000 1.125 298 G CA 1.051 46.093 45.100 -0.095 0.000 0.766 298 G HN 0.355 nan 8.290 nan 0.000 0.541 299 T N 0.641 115.118 114.554 -0.129 0.000 2.815 299 T HA 0.017 4.366 4.350 -0.001 0.000 0.244 299 T C 2.046 176.662 174.700 -0.140 0.000 1.040 299 T CA 1.122 63.153 62.100 -0.115 0.000 1.176 299 T CB -0.026 68.764 68.868 -0.130 0.000 0.880 299 T HN 0.184 nan 8.240 nan 0.000 0.414 300 E N 0.959 121.026 120.200 -0.222 0.000 2.204 300 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 300 E C 2.337 178.785 176.600 -0.253 0.000 0.989 300 E CA 1.438 57.613 56.400 -0.376 0.000 0.824 300 E CB -0.305 28.903 29.700 -0.819 0.000 0.756 300 E HN 0.666 nan 8.360 nan 0.000 0.477 301 T N -3.307 111.174 114.554 -0.122 0.000 2.737 301 T HA -0.104 4.245 4.350 -0.001 0.000 0.265 301 T C 1.995 176.692 174.700 -0.005 0.000 1.038 301 T CA 1.610 63.688 62.100 -0.037 0.000 1.144 301 T CB -0.768 68.105 68.868 0.009 0.000 0.866 301 T HN 0.001 nan 8.240 nan 0.000 0.434 302 T N 1.920 116.480 114.554 0.011 0.000 2.777 302 T HA -0.069 4.280 4.350 -0.001 0.000 0.266 302 T C 2.330 177.059 174.700 0.049 0.000 1.040 302 T CA 1.425 63.564 62.100 0.064 0.000 1.141 302 T CB -0.688 68.239 68.868 0.099 0.000 0.868 302 T HN 0.526 nan 8.240 nan 0.000 0.444 303 S N 0.871 116.562 115.700 -0.015 0.000 2.359 303 S HA -0.189 4.280 4.470 -0.001 0.000 0.224 303 S C 2.176 176.765 174.600 -0.017 0.000 1.035 303 S CA 2.086 60.257 58.200 -0.049 0.000 1.018 303 S CB -0.862 62.265 63.200 -0.122 0.000 0.876 303 S HN 0.553 nan 8.310 nan 0.000 0.448 304 T N 1.121 115.663 114.554 -0.020 0.000 2.746 304 T HA -0.061 4.288 4.350 -0.001 0.000 0.267 304 T C 1.934 176.719 174.700 0.142 0.000 1.039 304 T CA 1.857 63.984 62.100 0.045 0.000 1.142 304 T CB -0.900 67.996 68.868 0.047 0.000 0.866 304 T HN 0.518 nan 8.240 nan 0.000 0.444 305 T N 2.358 116.987 114.554 0.124 0.000 2.821 305 T HA 0.115 4.464 4.350 -0.001 0.000 0.267 305 T C 1.978 176.781 174.700 0.172 0.000 1.046 305 T CA 0.638 62.831 62.100 0.155 0.000 1.139 305 T CB -0.358 68.564 68.868 0.089 0.000 0.871 305 T HN 0.232 nan 8.240 nan 0.000 0.454 306 L N 0.333 121.640 121.223 0.141 0.000 2.046 306 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 306 L C 3.014 179.980 176.870 0.160 0.000 1.077 306 L CA 1.383 56.308 54.840 0.141 0.000 0.747 306 L CB -0.418 41.692 42.059 0.087 0.000 0.896 306 L HN 0.171 nan 8.230 nan 0.000 0.432 307 R N -1.068 119.526 120.500 0.156 0.000 2.066 307 R HA -0.190 4.150 4.340 -0.001 0.000 0.232 307 R C 2.275 178.743 176.300 0.281 0.000 1.131 307 R CA 1.604 57.834 56.100 0.216 0.000 0.955 307 R CB -0.463 29.922 30.300 0.142 0.000 0.851 307 R HN 0.350 nan 8.270 nan 0.000 0.432 308 Y N 0.263 120.640 120.300 0.128 0.000 2.181 308 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 308 Y C 2.414 178.313 175.900 -0.003 0.000 1.146 308 Y CA 0.932 59.075 58.100 0.072 0.000 1.164 308 Y CB -0.234 38.282 38.460 0.093 0.000 0.982 308 Y HN 0.195 nan 8.280 nan 0.000 0.515 309 G N 0.105 109.046 108.800 0.235 0.000 2.459 309 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 309 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 309 G C 1.556 176.493 174.900 0.061 0.000 1.183 309 G CA 1.175 46.346 45.100 0.118 0.000 0.776 309 G HN 0.370 nan 8.290 nan 0.000 0.552 310 L N -0.204 121.084 121.223 0.109 0.000 2.083 310 L HA -0.044 4.295 4.340 -0.001 0.000 0.209 310 L C 2.708 179.524 176.870 -0.090 0.000 1.083 310 L CA 0.545 55.434 54.840 0.081 0.000 0.752 310 L CB -0.375 41.811 42.059 0.212 0.000 0.899 310 L HN 0.267 nan 8.230 nan 0.000 0.433 311 L N -0.014 121.070 121.223 -0.231 0.000 2.017 311 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 311 L C 2.244 178.910 176.870 -0.340 0.000 1.073 311 L CA 1.791 56.267 54.840 -0.607 0.000 0.745 311 L CB -0.417 41.213 42.059 -0.714 0.000 0.894 311 L HN 0.099 nan 8.230 nan 0.000 0.432 312 L N -1.256 119.813 121.223 -0.256 0.000 2.201 312 L HA -0.159 4.181 4.340 -0.001 0.000 0.212 312 L C 2.418 179.126 176.870 -0.270 0.000 1.105 312 L CA 0.809 55.389 54.840 -0.433 0.000 0.775 312 L CB -0.463 41.001 42.059 -0.992 0.000 0.913 312 L HN 0.299 nan 8.230 nan 0.000 0.440 313 L N -0.911 120.223 121.223 -0.149 0.000 2.179 313 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 313 L C 2.453 179.305 176.870 -0.030 0.000 1.096 313 L CA 0.760 55.592 54.840 -0.014 0.000 0.779 313 L CB -0.260 41.822 42.059 0.037 0.000 0.922 313 L HN 0.284 nan 8.230 nan 0.000 0.443 314 L N 0.290 121.447 121.223 -0.111 0.000 2.017 314 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 314 L C 2.616 179.399 176.870 -0.145 0.000 1.073 314 L CA 1.504 56.263 54.840 -0.136 0.000 0.745 314 L CB -0.116 41.816 42.059 -0.212 0.000 0.894 314 L HN 0.212 nan 8.230 nan 0.000 0.432 315 K N -0.821 119.459 120.400 -0.200 0.000 2.288 315 K HA -0.087 4.232 4.320 -0.001 0.000 0.201 315 K C 0.380 176.727 176.600 -0.421 0.000 1.048 315 K CA 1.033 57.141 56.287 -0.299 0.000 0.956 315 K CB 0.021 32.312 32.500 -0.348 0.000 0.746 315 K HN 0.361 nan 8.250 nan 0.000 0.461 316 H N -0.059 118.964 119.070 -0.079 0.000 2.530 316 H HA 0.194 4.749 4.556 -0.001 0.000 0.246 316 H C -2.195 173.156 175.328 0.038 0.000 1.346 316 H CA -1.978 54.076 56.048 0.011 0.000 1.424 316 H CB 1.552 31.369 29.762 0.092 0.000 1.445 316 H HN 0.082 nan 8.280 nan 0.000 0.511 317 P HA -0.202 nan 4.420 nan 0.000 0.216 317 P C 1.822 179.176 177.300 0.089 0.000 1.150 317 P CA 1.086 64.222 63.100 0.059 0.000 0.837 317 P CB 0.458 32.169 31.700 0.018 0.000 0.786 318 E N 0.091 120.355 120.200 0.106 0.000 2.110 318 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 318 E C 1.878 178.557 176.600 0.133 0.000 0.988 318 E CA 1.397 57.856 56.400 0.097 0.000 0.804 318 E CB -1.456 28.302 29.700 0.097 0.000 0.745 318 E HN 0.090 nan 8.360 nan 0.000 0.458 319 V N 1.842 121.891 119.914 0.226 0.000 2.307 319 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 319 V C 2.528 178.796 176.094 0.290 0.000 1.045 319 V CA 2.202 64.699 62.300 0.328 0.000 1.024 319 V CB -0.848 31.206 31.823 0.384 0.000 0.651 319 V HN 0.350 nan 8.190 nan 0.000 0.449 320 T N 0.442 115.121 114.554 0.208 0.000 2.746 320 T HA -0.177 4.173 4.350 -0.001 0.000 0.267 320 T C 2.058 176.831 174.700 0.122 0.000 1.039 320 T CA 1.602 63.799 62.100 0.161 0.000 1.142 320 T CB -0.429 68.507 68.868 0.114 0.000 0.866 320 T HN 0.565 nan 8.240 nan 0.000 0.444 321 A N 1.997 124.869 122.820 0.087 0.000 1.883 321 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 321 A C 2.249 179.841 177.584 0.014 0.000 1.186 321 A CA 1.707 53.770 52.037 0.044 0.000 0.624 321 A CB -0.467 18.548 19.000 0.024 0.000 0.822 321 A HN 0.494 nan 8.150 nan 0.000 0.444 322 K N -0.468 119.910 120.400 -0.036 0.000 2.097 322 K HA -0.055 4.265 4.320 -0.001 0.000 0.206 322 K C 1.848 178.422 176.600 -0.043 0.000 1.049 322 K CA 1.315 57.488 56.287 -0.189 0.000 0.933 322 K CB -0.373 31.733 32.500 -0.657 0.000 0.717 322 K HN 0.315 nan 8.250 nan 0.000 0.442 323 V N 1.799 121.800 119.914 0.145 0.000 2.307 323 V HA -0.258 3.861 4.120 -0.001 0.000 0.245 323 V C 2.197 178.366 176.094 0.126 0.000 1.045 323 V CA 1.716 64.150 62.300 0.223 0.000 1.024 323 V CB -0.465 31.502 31.823 0.241 0.000 0.651 323 V HN 0.343 nan 8.190 nan 0.000 0.449 324 Q N -0.628 119.228 119.800 0.093 0.000 2.226 324 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 324 Q C 2.336 178.372 176.000 0.059 0.000 0.975 324 Q CA 1.481 57.325 55.803 0.068 0.000 0.866 324 Q CB -0.112 28.663 28.738 0.061 0.000 0.915 324 Q HN 0.685 nan 8.270 nan 0.000 0.440 325 E N 1.092 121.321 120.200 0.049 0.000 2.072 325 E HA -0.208 4.141 4.350 -0.001 0.000 0.190 325 E C 1.670 178.324 176.600 0.089 0.000 0.982 325 E CA 0.746 57.171 56.400 0.042 0.000 0.803 325 E CB 0.153 29.852 29.700 -0.002 0.000 0.755 325 E HN 0.335 nan 8.360 nan 0.000 0.453 326 E N 0.349 120.611 120.200 0.105 0.000 2.110 326 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 326 E C 2.245 178.937 176.600 0.153 0.000 0.988 326 E CA 0.918 57.418 56.400 0.167 0.000 0.804 326 E CB -0.014 29.801 29.700 0.191 0.000 0.745 326 E HN 0.313 nan 8.360 nan 0.000 0.458 327 I N 0.880 121.517 120.570 0.112 0.000 2.179 327 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 327 I C 2.227 178.390 176.117 0.078 0.000 1.088 327 I CA 1.371 62.718 61.300 0.080 0.000 1.357 327 I CB -0.281 37.746 38.000 0.046 0.000 1.051 327 I HN 0.146 nan 8.210 nan 0.000 0.409 328 D N 0.095 120.545 120.400 0.084 0.000 2.123 328 D HA -0.281 4.358 4.640 -0.001 0.000 0.196 328 D C 2.137 178.513 176.300 0.126 0.000 0.992 328 D CA 1.513 55.563 54.000 0.082 0.000 0.833 328 D CB -0.000 40.841 40.800 0.069 0.000 0.954 328 D HN 0.352 nan 8.370 nan 0.000 0.455 329 H N -0.613 118.479 119.070 0.037 0.000 2.326 329 H HA 0.003 4.558 4.556 -0.001 0.000 0.301 329 H C 1.854 177.205 175.328 0.039 0.000 1.081 329 H CA 1.920 57.989 56.048 0.035 0.000 1.334 329 H CB -0.380 29.403 29.762 0.035 0.000 1.385 329 H HN 0.089 nan 8.280 nan 0.000 0.504 330 V N -0.080 119.747 119.914 -0.147 0.000 2.599 330 V HA -0.024 4.095 4.120 -0.001 0.000 0.245 330 V C 2.328 178.390 176.094 -0.052 0.000 1.046 330 V CA 1.584 63.765 62.300 -0.198 0.000 1.065 330 V CB -0.090 31.691 31.823 -0.070 0.000 0.703 330 V HN 0.373 nan 8.190 nan 0.000 0.464 331 I N -1.095 119.484 120.570 0.015 0.000 3.445 331 I HA 0.510 4.679 4.170 -0.001 0.000 0.288 331 I C 1.371 177.515 176.117 0.044 0.000 1.198 331 I CA 0.887 62.210 61.300 0.038 0.000 1.417 331 I CB 0.024 38.056 38.000 0.054 0.000 1.205 331 I HN 0.423 nan 8.210 nan 0.000 0.448 332 G N 1.753 110.582 108.800 0.048 0.000 2.615 332 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 332 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 332 G C 0.208 175.122 174.900 0.024 0.000 1.339 332 G CA -0.043 45.092 45.100 0.059 0.000 0.884 332 G HN 0.267 nan 8.290 nan 0.000 0.559 333 R N -0.913 119.586 120.500 -0.003 0.000 2.446 333 R HA 0.291 4.631 4.340 -0.001 0.000 0.254 333 R C 1.364 177.491 176.300 -0.288 0.000 0.918 333 R CA 0.705 56.709 56.100 -0.160 0.000 1.069 333 R CB 0.472 30.619 30.300 -0.255 0.000 1.194 333 R HN 0.600 nan 8.270 nan 0.000 0.534 334 H N -0.186 118.892 119.070 0.012 0.000 2.652 334 H HA 0.286 4.841 4.556 -0.001 0.000 0.274 334 H C -0.049 175.290 175.328 0.020 0.000 1.021 334 H CA -0.061 55.996 56.048 0.014 0.000 1.187 334 H CB 0.631 30.400 29.762 0.011 0.000 1.505 334 H HN -0.150 nan 8.280 nan 0.000 0.530 335 R N 0.657 121.218 120.500 0.102 0.000 2.621 335 R HA 0.407 4.746 4.340 -0.001 0.000 0.292 335 R C -0.912 175.423 176.300 0.059 0.000 0.969 335 R CA -0.592 55.554 56.100 0.077 0.000 0.887 335 R CB 1.461 31.805 30.300 0.072 0.000 1.180 335 R HN 0.053 nan 8.270 nan 0.000 0.450 336 S N 5.036 120.773 115.700 0.062 0.000 2.549 336 S HA 0.224 4.693 4.470 -0.001 0.000 0.279 336 S C -2.116 172.521 174.600 0.063 0.000 1.321 336 S CA -0.895 57.345 58.200 0.066 0.000 1.054 336 S CB 0.957 64.204 63.200 0.077 0.000 0.899 336 S HN 0.504 nan 8.310 nan 0.000 0.497 337 P HA 0.261 nan 4.420 nan 0.000 0.272 337 P C -0.398 176.968 177.300 0.110 0.000 1.240 337 P CA -0.410 62.740 63.100 0.083 0.000 0.791 337 P CB 0.226 31.947 31.700 0.035 0.000 0.978 338 C N 0.221 119.622 119.300 0.168 0.000 3.291 338 C HA 0.455 4.914 4.460 -0.001 0.000 0.316 338 C C 1.721 176.813 174.990 0.170 0.000 1.391 338 C CA -0.855 58.244 59.018 0.135 0.000 1.394 338 C CB 0.561 28.347 27.740 0.077 0.000 1.744 338 C HN 0.405 nan 8.230 nan 0.000 0.461 339 M N 0.785 120.414 119.600 0.049 0.000 2.358 339 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 339 M C 2.061 178.266 176.300 -0.158 0.000 1.064 339 M CA 1.608 56.844 55.300 -0.106 0.000 1.093 339 M CB -1.595 30.930 32.600 -0.125 0.000 1.401 339 M HN 1.028 nan 8.290 nan 0.000 0.440 340 Q N 0.799 120.570 119.800 -0.048 0.000 2.170 340 Q HA -0.172 4.168 4.340 -0.001 0.000 0.203 340 Q C 1.351 177.339 176.000 -0.020 0.000 0.976 340 Q CA 1.572 57.353 55.803 -0.036 0.000 0.858 340 Q CB 0.087 28.848 28.738 0.038 0.000 0.907 340 Q HN 0.416 nan 8.270 nan 0.000 0.433 341 D N -0.112 120.329 120.400 0.068 0.000 2.218 341 D HA -0.184 4.456 4.640 -0.001 0.000 0.204 341 D C 1.667 178.001 176.300 0.057 0.000 0.976 341 D CA 0.742 54.845 54.000 0.173 0.000 0.853 341 D CB -0.233 40.728 40.800 0.268 0.000 0.939 341 D HN 0.311 nan 8.370 nan 0.000 0.481 342 R N 0.903 121.232 120.500 -0.286 0.000 2.127 342 R HA -0.112 4.227 4.340 -0.001 0.000 0.238 342 R C 2.070 178.151 176.300 -0.364 0.000 1.134 342 R CA 1.015 56.754 56.100 -0.603 0.000 0.975 342 R CB -0.223 29.316 30.300 -1.268 0.000 0.865 342 R HN -0.027 nan 8.270 nan 0.000 0.447 343 S N -0.540 114.920 115.700 -0.400 0.000 2.447 343 S HA -0.115 4.354 4.470 -0.001 0.000 0.233 343 S C 0.801 175.131 174.600 -0.449 0.000 1.006 343 S CA 0.994 58.920 58.200 -0.457 0.000 0.957 343 S CB -0.099 62.761 63.200 -0.566 0.000 0.773 343 S HN 0.585 nan 8.310 nan 0.000 0.507 344 H N -0.640 118.411 119.070 -0.030 0.000 2.594 344 H HA 0.424 4.980 4.556 -0.001 0.000 0.279 344 H C -0.113 175.249 175.328 0.057 0.000 1.042 344 H CA 0.028 56.082 56.048 0.009 0.000 1.177 344 H CB 0.253 30.006 29.762 -0.016 0.000 1.524 344 H HN 0.299 nan 8.280 nan 0.000 0.537 345 M N 2.038 121.717 119.600 0.132 0.000 2.854 345 M HA 0.183 4.662 4.480 -0.001 0.000 0.203 345 M C -1.924 174.478 176.300 0.171 0.000 1.069 345 M CA -1.567 53.852 55.300 0.199 0.000 0.803 345 M CB 1.627 34.405 32.600 0.297 0.000 1.380 345 M HN -0.006 nan 8.290 nan 0.000 0.494 346 P HA -0.227 nan 4.420 nan 0.000 0.216 346 P C 1.136 178.584 177.300 0.247 0.000 1.150 346 P CA 1.586 64.801 63.100 0.191 0.000 0.837 346 P CB 0.097 31.923 31.700 0.209 0.000 0.786 347 Y N 1.333 121.726 120.300 0.156 0.000 2.163 347 Y HA -0.135 4.415 4.550 -0.001 0.000 0.288 347 Y C 2.456 178.450 175.900 0.157 0.000 1.136 347 Y CA 2.237 60.423 58.100 0.143 0.000 1.147 347 Y CB -1.018 37.508 38.460 0.111 0.000 0.987 347 Y HN -0.105 nan 8.280 nan 0.000 0.509 348 T N -0.234 114.473 114.554 0.255 0.000 2.788 348 T HA -0.184 4.165 4.350 -0.001 0.000 0.268 348 T C 1.429 176.230 174.700 0.169 0.000 1.044 348 T CA 1.609 63.834 62.100 0.207 0.000 1.139 348 T CB -0.407 68.625 68.868 0.273 0.000 0.867 348 T HN 0.355 nan 8.240 nan 0.000 0.454 349 D N 1.127 121.620 120.400 0.154 0.000 2.117 349 D HA -0.010 4.629 4.640 -0.001 0.000 0.197 349 D C 2.255 178.637 176.300 0.136 0.000 0.987 349 D CA 1.206 55.228 54.000 0.038 0.000 0.829 349 D CB -0.348 40.255 40.800 -0.329 0.000 0.961 349 D HN 0.343 nan 8.370 nan 0.000 0.460 350 A N -0.115 122.814 122.820 0.181 0.000 1.933 350 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 350 A C 2.560 180.119 177.584 -0.041 0.000 1.175 350 A CA 1.506 53.633 52.037 0.149 0.000 0.628 350 A CB -0.768 18.243 19.000 0.019 0.000 0.814 350 A HN 0.206 nan 8.150 nan 0.000 0.444 351 V N -0.407 119.422 119.914 -0.141 0.000 2.307 351 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 351 V C 2.596 178.715 176.094 0.042 0.000 1.045 351 V CA 1.995 64.233 62.300 -0.104 0.000 1.024 351 V CB -0.628 31.159 31.823 -0.060 0.000 0.651 351 V HN 0.383 nan 8.190 nan 0.000 0.449 352 V N -0.488 119.470 119.914 0.073 0.000 2.343 352 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 352 V C 2.301 178.379 176.094 -0.026 0.000 1.051 352 V CA 2.269 64.613 62.300 0.074 0.000 1.036 352 V CB -0.917 30.972 31.823 0.111 0.000 0.654 352 V HN 0.607 nan 8.190 nan 0.000 0.451 353 H N -0.196 118.719 119.070 -0.258 0.000 2.353 353 H HA -0.140 4.416 4.556 -0.001 0.000 0.300 353 H C 2.310 177.386 175.328 -0.420 0.000 1.090 353 H CA 1.795 57.457 56.048 -0.644 0.000 1.327 353 H CB -0.036 28.790 29.762 -1.561 0.000 1.383 353 H HN 0.405 nan 8.280 nan 0.000 0.508 354 E N 0.563 120.694 120.200 -0.115 0.000 2.204 354 E HA -0.075 4.274 4.350 -0.001 0.000 0.194 354 E C 1.934 178.660 176.600 0.209 0.000 0.989 354 E CA 0.684 57.138 56.400 0.090 0.000 0.824 354 E CB -0.287 29.302 29.700 -0.186 0.000 0.756 354 E HN 0.497 nan 8.360 nan 0.000 0.477 355 I N 0.312 121.038 120.570 0.260 0.000 2.252 355 I HA -0.272 3.897 4.170 -0.001 0.000 0.245 355 I C 2.387 178.588 176.117 0.140 0.000 1.102 355 I CA 1.164 62.649 61.300 0.308 0.000 1.385 355 I CB -0.234 37.898 38.000 0.219 0.000 1.064 355 I HN 0.202 nan 8.210 nan 0.000 0.414 356 Q N 0.043 119.899 119.800 0.093 0.000 2.123 356 Q HA -0.188 4.151 4.340 -0.001 0.000 0.199 356 Q C 2.350 178.329 176.000 -0.034 0.000 0.966 356 Q CA 1.033 56.834 55.803 -0.003 0.000 0.845 356 Q CB -0.139 28.585 28.738 -0.024 0.000 0.907 356 Q HN 0.409 nan 8.270 nan 0.000 0.439 357 R N -0.082 120.466 120.500 0.081 0.000 2.066 357 R HA -0.178 4.162 4.340 -0.001 0.000 0.232 357 R C 2.097 178.323 176.300 -0.123 0.000 1.131 357 R CA 1.295 57.374 56.100 -0.036 0.000 0.955 357 R CB -0.248 30.077 30.300 0.041 0.000 0.851 357 R HN 0.269 nan 8.270 nan 0.000 0.432 358 Y N 1.165 121.413 120.300 -0.087 0.000 2.163 358 Y HA -0.205 4.344 4.550 -0.001 0.000 0.288 358 Y C 2.651 178.467 175.900 -0.139 0.000 1.136 358 Y CA 2.081 60.158 58.100 -0.038 0.000 1.147 358 Y CB -0.268 38.285 38.460 0.155 0.000 0.987 358 Y HN 0.220 nan 8.280 nan 0.000 0.509 359 S N -0.344 115.275 115.700 -0.136 0.000 2.399 359 S HA -0.211 4.259 4.470 -0.001 0.000 0.231 359 S C 0.910 175.396 174.600 -0.191 0.000 1.022 359 S CA 1.051 58.955 58.200 -0.493 0.000 0.983 359 S CB -0.698 62.230 63.200 -0.453 0.000 0.803 359 S HN 0.628 nan 8.310 nan 0.000 0.480 360 D N 0.018 120.351 120.400 -0.112 0.000 2.802 360 D HA -0.156 4.483 4.640 -0.001 0.000 0.229 360 D C 0.304 176.603 176.300 -0.002 0.000 1.203 360 D CA 0.644 54.620 54.000 -0.040 0.000 0.712 360 D CB -1.521 39.325 40.800 0.076 0.000 0.973 360 D HN 0.401 nan 8.370 nan 0.000 0.407 361 L N 1.109 122.320 121.223 -0.021 0.000 1.990 361 L HA -0.100 4.239 4.340 -0.001 0.000 0.213 361 L C 1.007 177.901 176.870 0.040 0.000 1.072 361 L CA 1.719 56.575 54.840 0.028 0.000 0.755 361 L CB 0.159 42.211 42.059 -0.012 0.000 0.889 361 L HN 0.263 nan 8.230 nan 0.000 0.432 362 V N 0.139 120.056 119.914 0.005 0.000 2.235 362 V HA 0.248 4.367 4.120 -0.001 0.000 0.266 362 V C -1.645 174.464 176.094 0.025 0.000 1.055 362 V CA -0.919 61.397 62.300 0.026 0.000 0.844 362 V CB 0.384 32.219 31.823 0.019 0.000 1.097 362 V HN 0.172 nan 8.190 nan 0.000 0.453 363 P HA -0.131 nan 4.420 nan 0.000 0.216 363 P C 1.680 179.027 177.300 0.078 0.000 1.150 363 P CA 1.682 64.817 63.100 0.058 0.000 0.837 363 P CB 0.143 31.877 31.700 0.056 0.000 0.786 364 T N -5.241 109.362 114.554 0.083 0.000 3.065 364 T HA 0.420 4.770 4.350 -0.001 0.000 0.252 364 T C 1.046 175.789 174.700 0.073 0.000 1.099 364 T CA 0.283 62.453 62.100 0.116 0.000 1.063 364 T CB -0.830 68.118 68.868 0.133 0.000 0.948 364 T HN 0.323 nan 8.240 nan 0.000 0.506 365 G N 0.749 109.579 108.800 0.049 0.000 2.782 365 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.228 365 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.228 365 G C -0.645 174.292 174.900 0.061 0.000 1.372 365 G CA -0.542 44.581 45.100 0.039 0.000 0.862 365 G HN 0.736 nan 8.290 nan 0.000 0.547 366 V N 3.084 123.051 119.914 0.089 0.000 2.439 366 V HA 0.513 4.632 4.120 -0.001 0.000 0.282 366 V C -1.215 174.961 176.094 0.136 0.000 1.039 366 V CA -0.754 61.598 62.300 0.087 0.000 0.913 366 V CB 1.550 33.415 31.823 0.071 0.000 0.983 366 V HN 0.796 nan 8.190 nan 0.000 0.460 367 P HA 0.075 nan 4.420 nan 0.000 0.264 367 P C -0.412 176.946 177.300 0.095 0.000 1.183 367 P CA 0.456 63.594 63.100 0.065 0.000 0.763 367 P CB 0.524 32.212 31.700 -0.020 0.000 0.807 368 H N 0.667 119.689 119.070 -0.081 0.000 2.748 368 H HA 0.741 5.296 4.556 -0.001 0.000 0.315 368 H C -0.431 174.832 175.328 -0.107 0.000 1.429 368 H CA -1.134 54.856 56.048 -0.097 0.000 1.444 368 H CB 2.213 31.941 29.762 -0.057 0.000 1.827 368 H HN 0.535 nan 8.280 nan 0.000 0.754 369 A N 1.023 123.834 122.820 -0.015 0.000 2.513 369 A HA 0.339 4.658 4.320 -0.001 0.000 0.296 369 A C -0.675 176.817 177.584 -0.155 0.000 1.052 369 A CA -0.710 51.271 52.037 -0.093 0.000 0.714 369 A CB 0.637 19.566 19.000 -0.119 0.000 1.279 369 A HN 0.438 nan 8.150 nan 0.000 0.397 370 V N 1.327 121.103 119.914 -0.229 0.000 2.655 370 V HA 0.423 4.542 4.120 -0.001 0.000 0.300 370 V C 1.297 177.263 176.094 -0.214 0.000 1.044 370 V CA 0.825 62.919 62.300 -0.343 0.000 1.095 370 V CB 0.319 31.864 31.823 -0.463 0.000 0.952 370 V HN 1.351 nan 8.190 nan 0.000 0.485 371 T N 0.424 114.865 114.554 -0.188 0.000 3.055 371 T HA 0.112 4.461 4.350 -0.001 0.000 0.265 371 T C 0.789 175.435 174.700 -0.089 0.000 1.111 371 T CA 1.051 63.082 62.100 -0.116 0.000 1.118 371 T CB -0.136 68.685 68.868 -0.078 0.000 0.909 371 T HN 1.109 nan 8.240 nan 0.000 0.501 372 T N -0.121 114.370 114.554 -0.105 0.000 2.711 372 T HA 0.349 4.698 4.350 -0.001 0.000 0.302 372 T C -2.079 172.572 174.700 -0.081 0.000 1.373 372 T CA -0.780 61.277 62.100 -0.071 0.000 1.000 372 T CB 1.361 70.203 68.868 -0.044 0.000 1.483 372 T HN -0.009 nan 8.240 nan 0.000 0.499 373 D N 2.118 122.490 120.400 -0.048 0.000 2.412 373 D HA 0.362 5.001 4.640 -0.001 0.000 0.257 373 D C -0.406 175.876 176.300 -0.031 0.000 1.217 373 D CA 1.058 55.038 54.000 -0.034 0.000 0.897 373 D CB 0.584 41.378 40.800 -0.010 0.000 1.132 373 D HN 0.364 nan 8.370 nan 0.000 0.493 374 T N 2.523 117.054 114.554 -0.039 0.000 2.807 374 T HA 0.339 4.689 4.350 -0.001 0.000 0.279 374 T C 0.016 174.774 174.700 0.097 0.000 0.993 374 T CA -0.839 61.255 62.100 -0.010 0.000 0.970 374 T CB 1.416 70.193 68.868 -0.151 0.000 0.950 374 T HN 0.082 nan 8.240 nan 0.000 0.441 375 K N 2.610 123.088 120.400 0.130 0.000 2.234 375 K HA 0.519 4.838 4.320 -0.001 0.000 0.277 375 K C -1.593 175.172 176.600 0.275 0.000 1.038 375 K CA -0.601 55.786 56.287 0.166 0.000 0.888 375 K CB 0.256 32.809 32.500 0.088 0.000 1.091 375 K HN 0.491 nan 8.250 nan 0.000 0.467 376 F N 6.058 126.130 119.950 0.203 0.000 2.496 376 F HA 0.411 4.937 4.527 -0.001 0.000 0.341 376 F C 0.330 176.264 175.800 0.222 0.000 1.134 376 F CA -0.204 57.957 58.000 0.269 0.000 0.968 376 F CB 0.626 39.887 39.000 0.435 0.000 1.205 376 F HN 0.856 nan 8.300 nan 0.000 0.436 377 R N 1.856 122.175 120.500 -0.301 0.000 3.934 377 R HA -0.361 3.978 4.340 -0.001 0.000 0.384 377 R C 0.214 176.409 176.300 -0.174 0.000 0.241 377 R CA 2.033 57.986 56.100 -0.246 0.000 1.241 377 R CB -1.028 29.150 30.300 -0.204 0.000 0.999 377 R HN 0.775 nan 8.270 nan 0.000 0.562 378 N N 0.669 119.155 118.700 -0.358 0.000 2.295 378 N HA 0.195 4.934 4.740 -0.001 0.000 0.221 378 N C -0.737 174.513 175.510 -0.433 0.000 1.129 378 N CA 0.228 53.040 53.050 -0.397 0.000 0.836 378 N CB 0.217 38.442 38.487 -0.438 0.000 1.040 378 N HN 0.281 nan 8.380 nan 0.000 0.494 379 Y N -0.507 119.861 120.300 0.113 0.000 2.587 379 Y HA 0.617 5.166 4.550 -0.001 0.000 0.337 379 Y C -0.572 175.403 175.900 0.125 0.000 1.065 379 Y CA -1.617 56.556 58.100 0.121 0.000 1.126 379 Y CB 1.445 39.998 38.460 0.156 0.000 1.279 379 Y HN -0.118 nan 8.280 nan 0.000 0.489 380 L N 2.748 124.132 121.223 0.269 0.000 2.381 380 L HA 0.618 4.957 4.340 -0.001 0.000 0.274 380 L C -1.527 175.417 176.870 0.123 0.000 0.988 380 L CA -0.542 54.397 54.840 0.164 0.000 0.824 380 L CB 1.122 43.242 42.059 0.103 0.000 1.263 380 L HN 0.517 nan 8.230 nan 0.000 0.410 381 I N 7.684 128.308 120.570 0.091 0.000 2.354 381 I HA 0.403 4.573 4.170 -0.001 0.000 0.286 381 I C -2.063 174.041 176.117 -0.022 0.000 1.007 381 I CA -1.821 59.492 61.300 0.021 0.000 1.167 381 I CB 1.650 39.657 38.000 0.010 0.000 1.320 381 I HN 0.474 nan 8.210 nan 0.000 0.458 382 P HA -0.009 nan 4.420 nan 0.000 0.269 382 P C -0.554 176.710 177.300 -0.060 0.000 1.215 382 P CA -0.447 62.635 63.100 -0.031 0.000 0.780 382 P CB 0.819 32.509 31.700 -0.016 0.000 0.898 383 K N 1.172 121.538 120.400 -0.057 0.000 2.511 383 K HA 0.097 4.416 4.320 -0.001 0.000 0.280 383 K C 1.190 177.747 176.600 -0.071 0.000 1.008 383 K CA 1.118 57.362 56.287 -0.071 0.000 1.050 383 K CB -0.817 31.652 32.500 -0.051 0.000 0.889 383 K HN 0.804 nan 8.250 nan 0.000 0.484 384 G N 2.534 111.280 108.800 -0.091 0.000 2.199 384 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.254 384 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.254 384 G C 0.157 175.003 174.900 -0.089 0.000 0.982 384 G CA 0.420 45.470 45.100 -0.084 0.000 0.632 384 G HN 0.691 nan 8.290 nan 0.000 0.529 385 T N 2.418 116.913 114.554 -0.097 0.000 2.928 385 T HA 0.438 4.787 4.350 -0.001 0.000 0.305 385 T C 0.804 175.439 174.700 -0.107 0.000 1.035 385 T CA 0.891 62.929 62.100 -0.103 0.000 1.145 385 T CB 1.013 69.817 68.868 -0.108 0.000 0.963 385 T HN 0.279 nan 8.240 nan 0.000 0.545 386 T N 4.941 119.426 114.554 -0.115 0.000 2.870 386 T HA 0.293 4.643 4.350 -0.001 0.000 0.300 386 T C 0.283 174.930 174.700 -0.087 0.000 0.989 386 T CA -0.440 61.596 62.100 -0.106 0.000 1.139 386 T CB 0.098 68.882 68.868 -0.140 0.000 0.920 386 T HN 0.275 nan 8.240 nan 0.000 0.537 387 I N 3.318 123.876 120.570 -0.019 0.000 2.441 387 I HA 0.478 4.647 4.170 -0.001 0.000 0.295 387 I C -0.110 176.010 176.117 0.005 0.000 0.994 387 I CA -1.008 60.326 61.300 0.056 0.000 1.144 387 I CB 1.586 39.680 38.000 0.158 0.000 1.314 387 I HN 0.652 nan 8.210 nan 0.000 0.445 388 M N 5.081 124.671 119.600 -0.017 0.000 2.067 388 M HA 0.589 5.069 4.480 -0.001 0.000 0.286 388 M C -0.882 175.395 176.300 -0.038 0.000 0.922 388 M CA -0.313 54.956 55.300 -0.052 0.000 0.937 388 M CB 1.493 34.032 32.600 -0.103 0.000 1.550 388 M HN 0.679 nan 8.290 nan 0.000 0.433 389 A N 5.854 128.614 122.820 -0.100 0.000 2.294 389 A HA 0.556 4.875 4.320 -0.001 0.000 0.316 389 A C -0.473 177.077 177.584 -0.057 0.000 1.359 389 A CA -0.589 51.371 52.037 -0.128 0.000 0.956 389 A CB -0.038 18.773 19.000 -0.315 0.000 1.155 389 A HN 0.919 nan 8.150 nan 0.000 0.544 390 L N 4.746 125.966 121.223 -0.004 0.000 2.536 390 L HA 0.029 4.368 4.340 -0.001 0.000 0.282 390 L C 1.086 177.963 176.870 0.011 0.000 1.174 390 L CA -0.210 54.659 54.840 0.049 0.000 0.989 390 L CB -0.232 41.901 42.059 0.124 0.000 1.311 390 L HN 0.803 nan 8.230 nan 0.000 0.455 391 L N 1.224 122.452 121.223 0.009 0.000 2.079 391 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 391 L C 2.605 179.499 176.870 0.039 0.000 1.081 391 L CA 1.617 56.457 54.840 0.000 0.000 0.752 391 L CB -0.581 41.465 42.059 -0.022 0.000 0.896 391 L HN 0.668 nan 8.230 nan 0.000 0.433 392 T N -0.689 113.910 114.554 0.076 0.000 2.833 392 T HA -0.156 4.194 4.350 -0.001 0.000 0.269 392 T C 2.035 176.854 174.700 0.198 0.000 1.054 392 T CA 1.637 63.834 62.100 0.162 0.000 1.135 392 T CB -0.124 68.828 68.868 0.140 0.000 0.869 392 T HN 0.581 nan 8.240 nan 0.000 0.466 393 S N -0.101 115.638 115.700 0.065 0.000 2.481 393 S HA 0.014 4.483 4.470 -0.001 0.000 0.231 393 S C 1.910 176.544 174.600 0.056 0.000 0.996 393 S CA 0.830 58.999 58.200 -0.052 0.000 0.942 393 S CB -0.296 62.589 63.200 -0.525 0.000 0.768 393 S HN 0.391 nan 8.310 nan 0.000 0.520 394 V N 0.932 120.914 119.914 0.113 0.000 2.492 394 V HA 0.118 4.237 4.120 -0.001 0.000 0.241 394 V C 2.305 178.611 176.094 0.354 0.000 1.041 394 V CA 0.682 63.123 62.300 0.235 0.000 1.057 394 V CB -0.704 31.218 31.823 0.166 0.000 0.711 394 V HN 0.343 nan 8.190 nan 0.000 0.468 395 L N 0.016 121.353 121.223 0.190 0.000 2.187 395 L HA -0.130 4.209 4.340 -0.001 0.000 0.213 395 L C 1.755 178.506 176.870 -0.198 0.000 1.100 395 L CA 1.937 56.781 54.840 0.007 0.000 0.765 395 L CB -1.043 40.918 42.059 -0.163 0.000 0.904 395 L HN 0.484 nan 8.230 nan 0.000 0.437 396 H N -2.675 116.480 119.070 0.141 0.000 2.486 396 H HA 0.175 4.730 4.556 -0.001 0.000 0.284 396 H C -0.088 175.346 175.328 0.177 0.000 1.103 396 H CA -0.706 55.411 56.048 0.115 0.000 1.089 396 H CB 0.008 29.799 29.762 0.047 0.000 1.603 396 H HN 0.156 nan 8.280 nan 0.000 0.557 397 D N 1.601 122.196 120.400 0.324 0.000 2.472 397 D HA -0.103 4.536 4.640 -0.001 0.000 0.248 397 D C 1.241 177.598 176.300 0.095 0.000 1.174 397 D CA 0.165 54.289 54.000 0.208 0.000 0.883 397 D CB 0.724 41.648 40.800 0.207 0.000 1.149 397 D HN 0.431 nan 8.370 nan 0.000 0.488 398 D N 3.550 124.000 120.400 0.084 0.000 2.371 398 D HA -0.146 4.494 4.640 -0.001 0.000 0.221 398 D C 0.748 177.027 176.300 -0.035 0.000 0.986 398 D CA 0.918 54.947 54.000 0.048 0.000 0.899 398 D CB 0.226 41.070 40.800 0.073 0.000 0.902 398 D HN 0.435 nan 8.370 nan 0.000 0.530 399 K N -0.168 120.164 120.400 -0.113 0.000 2.214 399 K HA -0.010 4.309 4.320 -0.001 0.000 0.201 399 K C 1.984 178.362 176.600 -0.371 0.000 1.049 399 K CA 0.490 56.669 56.287 -0.180 0.000 0.978 399 K CB 0.185 32.602 32.500 -0.139 0.000 0.842 399 K HN -0.053 nan 8.250 nan 0.000 0.474 400 E N 0.512 120.311 120.200 -0.667 0.000 2.150 400 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 400 E C -0.457 175.434 176.600 -1.182 0.000 0.985 400 E CA 1.012 56.708 56.400 -1.174 0.000 0.814 400 E CB 0.191 28.641 29.700 -2.083 0.000 0.752 400 E HN 0.144 nan 8.360 nan 0.000 0.466 401 F N 0.498 120.211 119.950 -0.396 0.000 2.686 401 F HA 0.393 4.919 4.527 -0.001 0.000 0.365 401 F C -2.269 173.398 175.800 -0.221 0.000 1.196 401 F CA -2.737 54.987 58.000 -0.460 0.000 1.198 401 F CB 1.638 40.162 39.000 -0.793 0.000 1.454 401 F HN -0.226 nan 8.300 nan 0.000 0.539 402 P HA -0.030 nan 4.420 nan 0.000 0.264 402 P C -0.251 177.186 177.300 0.229 0.000 1.183 402 P CA 0.425 63.589 63.100 0.106 0.000 0.763 402 P CB 0.337 32.075 31.700 0.063 0.000 0.807 403 N N 1.717 120.514 118.700 0.162 0.000 2.681 403 N HA -0.122 4.618 4.740 -0.001 0.000 0.259 403 N C -1.583 174.073 175.510 0.243 0.000 1.066 403 N CA 0.259 53.419 53.050 0.184 0.000 0.717 403 N CB -0.959 37.628 38.487 0.167 0.000 0.885 403 N HN 0.444 nan 8.380 nan 0.000 0.547 404 P HA -0.075 nan 4.420 nan 0.000 0.230 404 P C 0.515 177.978 177.300 0.271 0.000 1.158 404 P CA 0.933 64.120 63.100 0.145 0.000 0.769 404 P CB 0.327 32.131 31.700 0.173 0.000 0.807 405 N N -0.189 118.670 118.700 0.266 0.000 2.322 405 N HA 0.145 4.884 4.740 -0.001 0.000 0.194 405 N C 0.595 176.350 175.510 0.408 0.000 1.126 405 N CA 0.161 53.374 53.050 0.271 0.000 0.845 405 N CB 0.465 39.047 38.487 0.159 0.000 0.976 405 N HN 0.318 nan 8.380 nan 0.000 0.475 406 I N 0.681 121.490 120.570 0.398 0.000 2.377 406 I HA 0.207 4.377 4.170 -0.001 0.000 0.293 406 I C -0.408 175.931 176.117 0.369 0.000 0.987 406 I CA -1.037 60.480 61.300 0.362 0.000 1.185 406 I CB 1.402 39.536 38.000 0.223 0.000 1.341 406 I HN -0.136 nan 8.210 nan 0.000 0.455 407 F N 6.608 126.552 119.950 -0.010 0.000 2.471 407 F HA 0.299 4.826 4.527 -0.001 0.000 0.365 407 F C -0.282 175.365 175.800 -0.254 0.000 1.095 407 F CA 0.106 57.932 58.000 -0.290 0.000 1.174 407 F CB 0.255 38.771 39.000 -0.807 0.000 1.105 407 F HN 0.362 nan 8.300 nan 0.000 0.535 408 D N 8.394 128.418 120.400 -0.626 0.000 2.470 408 D HA 0.282 4.921 4.640 -0.001 0.000 0.233 408 D C -2.346 173.595 176.300 -0.599 0.000 1.372 408 D CA -1.990 51.648 54.000 -0.603 0.000 0.994 408 D CB 2.161 42.639 40.800 -0.537 0.000 1.377 408 D HN 0.160 nan 8.370 nan 0.000 0.586 409 P HA -0.007 nan 4.420 nan 0.000 0.220 409 P C 1.366 178.533 177.300 -0.222 0.000 1.144 409 P CA 0.978 63.839 63.100 -0.397 0.000 0.800 409 P CB 0.326 31.704 31.700 -0.538 0.000 0.772 410 G N -1.249 107.402 108.800 -0.249 0.000 2.501 410 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 410 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 410 G C 1.091 175.871 174.900 -0.200 0.000 1.114 410 G CA 0.560 45.545 45.100 -0.190 0.000 0.757 410 G HN 0.389 nan 8.290 nan 0.000 0.559 411 H N -1.448 117.507 119.070 -0.192 0.000 2.518 411 H HA 0.053 4.608 4.556 -0.001 0.000 0.289 411 H C 0.590 175.539 175.328 -0.633 0.000 1.051 411 H CA 0.541 56.395 56.048 -0.323 0.000 1.280 411 H CB 0.042 29.578 29.762 -0.376 0.000 1.380 411 H HN 0.438 nan 8.280 nan 0.000 0.566 412 F N 0.024 119.914 119.950 -0.100 0.000 2.835 412 F HA 0.275 4.801 4.527 -0.001 0.000 0.342 412 F C -0.766 174.768 175.800 -0.444 0.000 1.202 412 F CA -0.359 57.430 58.000 -0.352 0.000 1.240 412 F CB 0.880 39.659 39.000 -0.369 0.000 1.005 412 F HN -0.076 nan 8.300 nan 0.000 0.507 413 L N 0.934 122.055 121.223 -0.169 0.000 2.431 413 L HA 0.409 4.749 4.340 -0.001 0.000 0.266 413 L C -0.428 176.377 176.870 -0.107 0.000 0.978 413 L CA -0.851 53.923 54.840 -0.110 0.000 0.822 413 L CB 1.496 43.541 42.059 -0.024 0.000 1.310 413 L HN 0.108 nan 8.230 nan 0.000 0.409 414 D N 1.368 121.720 120.400 -0.080 0.000 2.506 414 D HA 0.230 4.869 4.640 -0.001 0.000 0.272 414 D C 0.592 176.872 176.300 -0.033 0.000 1.214 414 D CA -0.352 53.607 54.000 -0.068 0.000 1.067 414 D CB 0.758 41.521 40.800 -0.061 0.000 1.117 414 D HN 0.280 nan 8.370 nan 0.000 0.578 415 K N -0.706 119.675 120.400 -0.032 0.000 2.281 415 K HA -0.040 4.279 4.320 -0.001 0.000 0.203 415 K C 0.792 177.390 176.600 -0.003 0.000 1.046 415 K CA 1.099 57.374 56.287 -0.019 0.000 0.938 415 K CB -0.298 32.188 32.500 -0.022 0.000 0.737 415 K HN 0.319 nan 8.250 nan 0.000 0.458 416 N N -0.521 118.182 118.700 0.004 0.000 2.235 416 N HA 0.108 4.847 4.740 -0.001 0.000 0.209 416 N C 0.453 175.986 175.510 0.037 0.000 1.122 416 N CA 0.772 53.833 53.050 0.018 0.000 0.845 416 N CB 1.301 39.799 38.487 0.018 0.000 1.004 416 N HN 0.312 nan 8.380 nan 0.000 0.499 417 G N 0.949 109.775 108.800 0.044 0.000 2.148 417 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.254 417 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.254 417 G C -0.062 174.900 174.900 0.104 0.000 0.981 417 G CA -0.266 44.884 45.100 0.084 0.000 0.670 417 G HN 0.283 nan 8.290 nan 0.000 0.528 418 N N -0.409 118.335 118.700 0.073 0.000 2.508 418 N HA 0.462 5.201 4.740 -0.001 0.000 0.285 418 N C -0.070 175.493 175.510 0.088 0.000 1.144 418 N CA -0.520 52.586 53.050 0.094 0.000 0.978 418 N CB 0.852 39.379 38.487 0.067 0.000 1.180 418 N HN 0.156 nan 8.380 nan 0.000 0.484 419 F N 1.411 121.358 119.950 -0.005 0.000 2.578 419 F HA 0.014 4.540 4.527 -0.001 0.000 0.381 419 F C 0.804 176.581 175.800 -0.039 0.000 1.069 419 F CA 0.163 58.139 58.000 -0.039 0.000 1.231 419 F CB 0.474 39.421 39.000 -0.088 0.000 1.086 419 F HN 0.240 nan 8.300 nan 0.000 0.564 420 K N 7.762 127.677 120.400 -0.808 0.000 2.367 420 K HA 0.245 4.564 4.320 -0.001 0.000 0.263 420 K C -0.635 175.508 176.600 -0.762 0.000 1.000 420 K CA -0.825 55.131 56.287 -0.551 0.000 0.891 420 K CB 0.892 33.190 32.500 -0.338 0.000 1.117 420 K HN 0.718 nan 8.250 nan 0.000 0.443 421 K N 1.979 122.148 120.400 -0.385 0.000 2.202 421 K HA 0.118 4.437 4.320 -0.001 0.000 0.264 421 K C -0.905 175.696 176.600 0.002 0.000 1.010 421 K CA -0.173 56.057 56.287 -0.095 0.000 0.940 421 K CB 1.149 33.735 32.500 0.144 0.000 0.983 421 K HN 0.497 nan 8.250 nan 0.000 0.475 422 S N 1.910 117.728 115.700 0.197 0.000 2.557 422 S HA 0.189 4.659 4.470 -0.001 0.000 0.291 422 S C -0.161 174.649 174.600 0.349 0.000 1.116 422 S CA -0.839 57.493 58.200 0.220 0.000 0.992 422 S CB 1.310 64.686 63.200 0.294 0.000 1.028 422 S HN 0.693 nan 8.310 nan 0.000 0.484 423 D N 2.552 123.107 120.400 0.259 0.000 2.310 423 D HA -0.027 4.612 4.640 -0.001 0.000 0.212 423 D C 0.441 176.940 176.300 0.332 0.000 0.965 423 D CA 1.195 55.359 54.000 0.272 0.000 0.879 423 D CB 0.019 40.915 40.800 0.161 0.000 0.921 423 D HN 0.660 nan 8.370 nan 0.000 0.510 424 Y N -0.632 119.719 120.300 0.086 0.000 2.490 424 Y HA 0.099 4.648 4.550 -0.001 0.000 0.281 424 Y C 0.462 176.627 175.900 0.441 0.000 1.174 424 Y CA -0.580 57.634 58.100 0.190 0.000 1.295 424 Y CB -0.533 37.926 38.460 -0.001 0.000 1.062 424 Y HN -0.165 nan 8.280 nan 0.000 0.522 425 F N 1.573 121.826 119.950 0.504 0.000 2.515 425 F HA 0.289 4.816 4.527 -0.001 0.000 0.353 425 F C 0.331 176.312 175.800 0.302 0.000 1.213 425 F CA -0.350 57.921 58.000 0.451 0.000 1.194 425 F CB -0.145 39.177 39.000 0.536 0.000 1.488 425 F HN -0.058 nan 8.300 nan 0.000 0.619 426 M N 7.783 127.325 119.600 -0.096 0.000 2.963 426 M HA 0.167 4.646 4.480 -0.001 0.000 0.350 426 M C -1.587 174.550 176.300 -0.272 0.000 1.253 426 M CA -1.048 54.183 55.300 -0.115 0.000 0.856 426 M CB 0.423 33.031 32.600 0.014 0.000 1.356 426 M HN 0.237 nan 8.290 nan 0.000 0.510 427 P HA -0.066 nan 4.420 nan 0.000 0.226 427 P C 0.584 177.581 177.300 -0.505 0.000 1.153 427 P CA 1.224 63.967 63.100 -0.596 0.000 0.777 427 P CB 0.014 31.180 31.700 -0.891 0.000 0.794 428 F N -0.492 119.345 119.950 -0.188 0.000 2.664 428 F HA 0.295 4.822 4.527 -0.001 0.000 0.303 428 F C 1.464 177.248 175.800 -0.028 0.000 1.092 428 F CA 0.109 58.065 58.000 -0.074 0.000 1.305 428 F CB -0.336 38.638 39.000 -0.043 0.000 1.054 428 F HN -0.075 nan 8.300 nan 0.000 0.565 429 S N -0.151 115.601 115.700 0.086 0.000 3.833 429 S HA 0.158 4.627 4.470 -0.001 0.000 0.638 429 S C -0.446 174.203 174.600 0.081 0.000 1.967 429 S CA -0.214 58.022 58.200 0.060 0.000 2.145 429 S CB -1.039 62.219 63.200 0.096 0.000 0.329 429 S HN 1.033 nan 8.310 nan 0.000 1.786 430 A N -0.086 122.765 122.820 0.052 0.000 2.588 430 A HA 0.950 5.270 4.320 -0.001 0.000 0.290 430 A C 0.868 178.483 177.584 0.051 0.000 1.136 430 A CA 0.829 52.898 52.037 0.053 0.000 0.681 430 A CB 0.456 19.465 19.000 0.015 0.000 1.282 430 A HN 2.975 nan 8.150 nan 0.000 0.421 431 G N 0.003 108.837 108.800 0.056 0.000 2.568 431 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.222 431 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.222 431 G C 0.409 175.388 174.900 0.132 0.000 1.321 431 G CA 0.295 45.439 45.100 0.074 0.000 0.893 431 G HN 0.974 nan 8.290 nan 0.000 0.569 432 K N 0.036 120.542 120.400 0.177 0.000 2.439 432 K HA 0.030 4.350 4.320 -0.001 0.000 0.197 432 K C 2.170 178.987 176.600 0.363 0.000 1.041 432 K CA 1.173 57.611 56.287 0.253 0.000 0.970 432 K CB 0.168 32.853 32.500 0.309 0.000 0.773 432 K HN 0.332 nan 8.250 nan 0.000 0.479 433 R N 1.055 121.737 120.500 0.303 0.000 2.546 433 R HA 0.238 4.578 4.340 -0.001 0.000 0.320 433 R C 0.223 176.660 176.300 0.228 0.000 1.021 433 R CA -0.215 56.065 56.100 0.300 0.000 1.088 433 R CB 0.201 30.537 30.300 0.060 0.000 1.278 433 R HN 0.071 nan 8.270 nan 0.000 0.557 434 I N 0.592 121.278 120.570 0.193 0.000 2.932 434 I HA -0.182 3.987 4.170 -0.001 0.000 0.295 434 I C 0.411 176.612 176.117 0.140 0.000 1.227 434 I CA 0.089 61.483 61.300 0.156 0.000 1.429 434 I CB 0.412 38.483 38.000 0.119 0.000 1.339 434 I HN 0.297 nan 8.210 nan 0.000 0.589 435 C N 7.319 126.710 119.300 0.151 0.000 1.986 435 C HA -0.044 4.415 4.460 -0.001 0.000 0.404 435 C C 1.721 176.735 174.990 0.039 0.000 1.551 435 C CA 0.204 59.297 59.018 0.124 0.000 1.457 435 C CB -1.144 26.719 27.740 0.205 0.000 2.639 435 C HN 0.915 nan 8.230 nan 0.000 0.590 436 A N 4.279 127.134 122.820 0.058 0.000 2.209 436 A HA 0.273 4.592 4.320 -0.001 0.000 0.212 436 A C 1.653 179.224 177.584 -0.023 0.000 1.158 436 A CA 1.162 53.218 52.037 0.032 0.000 0.742 436 A CB -0.241 18.802 19.000 0.072 0.000 0.790 436 A HN 1.520 nan 8.150 nan 0.000 0.472 437 G N -1.001 107.771 108.800 -0.047 0.000 4.379 437 G HA2 0.267 4.226 3.960 -0.001 0.000 0.290 437 G HA3 0.267 4.226 3.960 -0.001 0.000 0.290 437 G C 0.630 175.438 174.900 -0.154 0.000 1.065 437 G CA 0.579 45.629 45.100 -0.084 0.000 0.833 437 G HN 0.479 nan 8.290 nan 0.000 0.512 438 E N 0.370 120.395 120.200 -0.292 0.000 2.085 438 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 438 E C 2.417 178.721 176.600 -0.492 0.000 0.994 438 E CA 1.449 57.423 56.400 -0.710 0.000 0.801 438 E CB -0.251 28.925 29.700 -0.874 0.000 0.743 438 E HN 0.309 nan 8.360 nan 0.000 0.453 439 G N 1.406 110.034 108.800 -0.287 0.000 2.421 439 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.216 439 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.216 439 G C 1.510 176.320 174.900 -0.151 0.000 1.171 439 G CA 0.850 45.833 45.100 -0.196 0.000 0.775 439 G HN 0.322 nan 8.290 nan 0.000 0.543 440 L N 1.388 122.531 121.223 -0.134 0.000 2.046 440 L HA 0.185 4.524 4.340 -0.001 0.000 0.208 440 L C 3.020 179.851 176.870 -0.065 0.000 1.077 440 L CA 2.059 56.837 54.840 -0.105 0.000 0.747 440 L CB -0.761 41.237 42.059 -0.101 0.000 0.896 440 L HN 0.235 nan 8.230 nan 0.000 0.432 441 A N -0.262 122.539 122.820 -0.032 0.000 1.858 441 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 441 A C 2.396 180.052 177.584 0.120 0.000 1.190 441 A CA 1.748 53.842 52.037 0.095 0.000 0.617 441 A CB -0.575 18.592 19.000 0.279 0.000 0.827 441 A HN 0.486 nan 8.150 nan 0.000 0.443 442 R N -1.280 119.268 120.500 0.080 0.000 2.120 442 R HA -0.095 4.244 4.340 -0.001 0.000 0.234 442 R C 2.242 178.566 176.300 0.039 0.000 1.123 442 R CA 1.467 57.617 56.100 0.083 0.000 0.975 442 R CB -0.439 29.862 30.300 0.001 0.000 0.866 442 R HN 0.724 nan 8.270 nan 0.000 0.446 443 M N 0.845 120.430 119.600 -0.025 0.000 2.123 443 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 443 M C 1.631 177.877 176.300 -0.090 0.000 1.069 443 M CA 1.681 56.952 55.300 -0.047 0.000 1.133 443 M CB 0.095 32.633 32.600 -0.102 0.000 1.356 443 M HN 0.046 nan 8.290 nan 0.000 0.415 444 E N 0.368 120.482 120.200 -0.143 0.000 2.110 444 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 444 E C 2.032 178.545 176.600 -0.146 0.000 0.988 444 E CA 1.423 57.620 56.400 -0.339 0.000 0.804 444 E CB -0.184 29.453 29.700 -0.104 0.000 0.745 444 E HN 0.552 nan 8.360 nan 0.000 0.458 445 L N -0.067 121.198 121.223 0.070 0.000 2.027 445 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 445 L C 2.448 179.398 176.870 0.133 0.000 1.074 445 L CA 1.033 55.966 54.840 0.154 0.000 0.745 445 L CB -0.457 41.698 42.059 0.159 0.000 0.898 445 L HN 0.128 nan 8.230 nan 0.000 0.433 446 F N 0.716 120.659 119.950 -0.012 0.000 2.075 446 F HA -0.234 4.292 4.527 -0.001 0.000 0.297 446 F C 2.268 178.063 175.800 -0.009 0.000 1.113 446 F CA 1.601 59.594 58.000 -0.011 0.000 1.218 446 F CB -0.065 38.907 39.000 -0.045 0.000 0.984 446 F HN -0.136 nan 8.300 nan 0.000 0.472 447 L N -1.147 120.070 121.223 -0.010 0.000 2.056 447 L HA -0.200 4.139 4.340 -0.001 0.000 0.207 447 L C 2.420 179.247 176.870 -0.071 0.000 1.078 447 L CA 0.913 55.684 54.840 -0.114 0.000 0.749 447 L CB -0.806 41.166 42.059 -0.145 0.000 0.901 447 L HN 0.108 nan 8.230 nan 0.000 0.433 448 F N 0.131 120.088 119.950 0.012 0.000 2.146 448 F HA -0.158 4.368 4.527 -0.001 0.000 0.298 448 F C 2.322 178.127 175.800 0.008 0.000 1.096 448 F CA 1.042 59.054 58.000 0.020 0.000 1.275 448 F CB -0.830 38.192 39.000 0.036 0.000 1.008 448 F HN -0.067 nan 8.300 nan 0.000 0.480 449 L N -0.498 120.829 121.223 0.172 0.000 2.056 449 L HA -0.178 4.161 4.340 -0.001 0.000 0.207 449 L C 2.554 179.431 176.870 0.011 0.000 1.078 449 L CA 1.802 56.699 54.840 0.096 0.000 0.749 449 L CB -1.192 40.910 42.059 0.071 0.000 0.901 449 L HN 0.256 nan 8.230 nan 0.000 0.433 450 T N -4.633 109.832 114.554 -0.148 0.000 2.857 450 T HA -0.135 4.214 4.350 -0.001 0.000 0.266 450 T C 1.794 176.466 174.700 -0.047 0.000 1.048 450 T CA 1.574 63.560 62.100 -0.190 0.000 1.139 450 T CB -0.660 67.922 68.868 -0.477 0.000 0.874 450 T HN 0.176 nan 8.240 nan 0.000 0.455 451 T N 2.010 116.567 114.554 0.005 0.000 2.821 451 T HA 0.174 4.523 4.350 -0.001 0.000 0.267 451 T C 1.928 176.701 174.700 0.122 0.000 1.046 451 T CA 0.939 63.080 62.100 0.068 0.000 1.139 451 T CB -0.390 68.548 68.868 0.117 0.000 0.871 451 T HN 0.355 nan 8.240 nan 0.000 0.454 452 I N 0.772 121.448 120.570 0.177 0.000 2.163 452 I HA -0.090 4.079 4.170 -0.001 0.000 0.240 452 I C 2.107 178.411 176.117 0.311 0.000 1.081 452 I CA 1.248 62.724 61.300 0.294 0.000 1.353 452 I CB -0.289 37.866 38.000 0.258 0.000 1.054 452 I HN 0.178 nan 8.210 nan 0.000 0.407 453 L N 0.242 121.582 121.223 0.195 0.000 2.362 453 L HA -0.188 4.151 4.340 -0.001 0.000 0.219 453 L C 2.488 179.415 176.870 0.095 0.000 1.134 453 L CA 0.838 55.773 54.840 0.159 0.000 0.807 453 L CB -0.496 41.632 42.059 0.114 0.000 0.927 453 L HN 0.419 nan 8.230 nan 0.000 0.447 454 Q N 0.153 119.986 119.800 0.055 0.000 2.187 454 Q HA -0.105 4.234 4.340 -0.001 0.000 0.199 454 Q C 1.499 177.462 176.000 -0.061 0.000 0.957 454 Q CA 0.963 56.766 55.803 0.001 0.000 0.857 454 Q CB 0.332 29.066 28.738 -0.008 0.000 0.929 454 Q HN 0.531 nan 8.270 nan 0.000 0.453 455 N N -1.185 117.450 118.700 -0.108 0.000 2.250 455 N HA 0.127 4.866 4.740 -0.001 0.000 0.190 455 N C -0.841 174.289 175.510 -0.634 0.000 1.116 455 N CA 0.297 53.106 53.050 -0.401 0.000 0.881 455 N CB 0.804 38.947 38.487 -0.575 0.000 1.006 455 N HN 0.021 nan 8.380 nan 0.000 0.491 456 F N 0.175 120.173 119.950 0.079 0.000 2.626 456 F HA 0.408 4.935 4.527 -0.001 0.000 0.311 456 F C -0.008 175.849 175.800 0.095 0.000 1.088 456 F CA -1.065 57.005 58.000 0.117 0.000 0.949 456 F CB 1.235 40.377 39.000 0.237 0.000 1.322 456 F HN -0.309 nan 8.300 nan 0.000 0.461 457 N N 1.129 120.009 118.700 0.300 0.000 2.404 457 N HA 0.626 5.365 4.740 -0.001 0.000 0.297 457 N C -1.432 174.143 175.510 0.108 0.000 1.163 457 N CA -0.562 52.581 53.050 0.157 0.000 0.864 457 N CB 2.067 40.613 38.487 0.098 0.000 1.247 457 N HN 0.451 nan 8.380 nan 0.000 0.510 458 L N 1.059 122.295 121.223 0.021 0.000 2.280 458 L HA 0.461 4.800 4.340 -0.001 0.000 0.287 458 L C 0.383 177.197 176.870 -0.093 0.000 1.023 458 L CA -0.545 54.235 54.840 -0.100 0.000 0.819 458 L CB 1.228 43.222 42.059 -0.108 0.000 1.212 458 L HN 0.259 nan 8.230 nan 0.000 0.420 459 K N 2.238 122.562 120.400 -0.127 0.000 2.221 459 K HA 0.458 4.778 4.320 -0.001 0.000 0.258 459 K C -0.626 175.916 176.600 -0.097 0.000 0.944 459 K CA -0.350 55.887 56.287 -0.084 0.000 0.823 459 K CB 2.094 34.564 32.500 -0.050 0.000 1.113 459 K HN 0.535 nan 8.250 nan 0.000 0.431 460 S N 2.335 117.993 115.700 -0.070 0.000 2.585 460 S HA 0.178 4.647 4.470 -0.001 0.000 0.277 460 S C 1.137 175.714 174.600 -0.039 0.000 1.241 460 S CA -0.816 57.350 58.200 -0.056 0.000 1.041 460 S CB 1.321 64.487 63.200 -0.057 0.000 0.987 460 S HN 0.433 nan 8.310 nan 0.000 0.512 461 V N 3.049 122.947 119.914 -0.027 0.000 2.255 461 V HA 0.008 4.127 4.120 -0.001 0.000 0.243 461 V C 1.487 177.571 176.094 -0.016 0.000 1.038 461 V CA 1.469 63.758 62.300 -0.019 0.000 1.008 461 V CB -0.555 31.261 31.823 -0.012 0.000 0.645 461 V HN 0.812 nan 8.190 nan 0.000 0.449 462 D N -0.670 119.721 120.400 -0.016 0.000 2.507 462 D HA 0.117 4.756 4.640 -0.001 0.000 0.280 462 D C -0.434 175.852 176.300 -0.022 0.000 1.219 462 D CA -0.447 53.543 54.000 -0.015 0.000 1.085 462 D CB 0.809 41.602 40.800 -0.012 0.000 1.134 462 D HN 0.156 nan 8.370 nan 0.000 0.583 463 D N 0.453 120.841 120.400 -0.021 0.000 2.382 463 D HA 0.026 4.665 4.640 -0.001 0.000 0.245 463 D C 1.403 177.681 176.300 -0.037 0.000 1.120 463 D CA -0.145 53.839 54.000 -0.026 0.000 0.890 463 D CB 1.158 41.945 40.800 -0.021 0.000 1.201 463 D HN 0.257 nan 8.370 nan 0.000 0.433 464 L N 3.126 124.320 121.223 -0.049 0.000 2.265 464 L HA -0.169 4.170 4.340 -0.001 0.000 0.215 464 L C 2.277 179.105 176.870 -0.071 0.000 1.117 464 L CA 0.799 55.596 54.840 -0.072 0.000 0.782 464 L CB -0.309 41.698 42.059 -0.086 0.000 0.914 464 L HN 0.334 nan 8.230 nan 0.000 0.441 465 K N 0.859 121.229 120.400 -0.050 0.000 2.211 465 K HA -0.134 4.185 4.320 -0.001 0.000 0.203 465 K C 1.510 178.091 176.600 -0.030 0.000 1.050 465 K CA 1.352 57.616 56.287 -0.039 0.000 0.945 465 K CB -0.077 32.408 32.500 -0.025 0.000 0.732 465 K HN 0.210 nan 8.250 nan 0.000 0.451 466 N N -0.249 118.434 118.700 -0.028 0.000 2.494 466 N HA -0.004 4.735 4.740 -0.001 0.000 0.182 466 N C -0.604 174.893 175.510 -0.021 0.000 1.076 466 N CA 0.142 53.181 53.050 -0.019 0.000 0.908 466 N CB 0.021 38.500 38.487 -0.014 0.000 0.967 466 N HN 0.073 nan 8.380 nan 0.000 0.449 467 L N 1.656 122.855 121.223 -0.040 0.000 2.385 467 L HA 0.153 4.493 4.340 -0.001 0.000 0.281 467 L C 0.017 176.861 176.870 -0.045 0.000 1.106 467 L CA -0.011 54.797 54.840 -0.052 0.000 0.856 467 L CB -0.116 41.887 42.059 -0.094 0.000 1.186 467 L HN 0.135 nan 8.230 nan 0.000 0.453 468 N N 2.042 120.732 118.700 -0.018 0.000 2.473 468 N HA 0.163 4.902 4.740 -0.001 0.000 0.291 468 N C 0.445 175.970 175.510 0.025 0.000 1.083 468 N CA 0.453 53.511 53.050 0.014 0.000 0.951 468 N CB 1.573 40.077 38.487 0.029 0.000 1.164 468 N HN 0.707 nan 8.380 nan 0.000 0.480 469 T N -1.351 113.259 114.554 0.094 0.000 3.044 469 T HA 0.117 4.466 4.350 -0.001 0.000 0.260 469 T C 0.417 175.334 174.700 0.361 0.000 1.019 469 T CA -0.144 62.073 62.100 0.195 0.000 0.921 469 T CB -0.266 68.727 68.868 0.208 0.000 1.053 469 T HN 0.342 nan 8.240 nan 0.000 0.533 470 T N 3.541 118.245 114.554 0.250 0.000 2.916 470 T HA 0.528 4.877 4.350 -0.001 0.000 0.303 470 T C 0.659 175.468 174.700 0.182 0.000 1.025 470 T CA -0.114 62.116 62.100 0.217 0.000 1.142 470 T CB 0.567 69.510 68.868 0.124 0.000 0.947 470 T HN 0.604 nan 8.240 nan 0.000 0.544 471 A N 3.029 125.974 122.820 0.209 0.000 2.548 471 A HA 0.249 4.568 4.320 -0.001 0.000 0.247 471 A C 1.637 179.264 177.584 0.072 0.000 1.067 471 A CA -0.374 51.762 52.037 0.165 0.000 0.757 471 A CB -0.083 19.029 19.000 0.188 0.000 0.996 471 A HN 0.938 nan 8.150 nan 0.000 0.504 472 V N 1.106 121.043 119.914 0.039 0.000 2.446 472 V HA 0.093 4.212 4.120 -0.001 0.000 0.244 472 V C 0.861 176.967 176.094 0.021 0.000 1.039 472 V CA 1.615 63.929 62.300 0.024 0.000 1.045 472 V CB -1.151 30.680 31.823 0.013 0.000 0.681 472 V HN 0.709 nan 8.190 nan 0.000 0.459 473 T N 1.061 115.632 114.554 0.029 0.000 2.887 473 T HA 0.613 4.963 4.350 -0.001 0.000 0.288 473 T C -0.556 174.163 174.700 0.032 0.000 1.021 473 T CA -0.550 61.563 62.100 0.022 0.000 1.000 473 T CB 2.113 70.994 68.868 0.023 0.000 1.034 473 T HN 0.336 nan 8.240 nan 0.000 0.467 474 K N 1.517 121.924 120.400 0.011 0.000 2.895 474 K HA 0.452 4.772 4.320 -0.001 0.000 0.191 474 K C -0.402 176.194 176.600 -0.007 0.000 1.117 474 K CA -0.576 55.718 56.287 0.013 0.000 0.988 474 K CB 1.252 33.753 32.500 0.001 0.000 1.181 474 K HN 0.802 nan 8.250 nan 0.000 0.598 475 G N 2.211 111.009 108.800 -0.003 0.000 4.040 475 G HA2 0.432 4.391 3.960 -0.001 0.000 0.328 475 G HA3 0.432 4.391 3.960 -0.001 0.000 0.328 475 G C 0.488 175.379 174.900 -0.015 0.000 1.503 475 G CA -0.217 44.870 45.100 -0.022 0.000 0.909 475 G HN 0.629 nan 8.290 nan 0.000 0.495 476 I N -0.890 119.686 120.570 0.010 0.000 4.392 476 I HA -0.255 3.914 4.170 -0.001 0.000 0.064 476 I C -0.188 175.970 176.117 0.068 0.000 0.588 476 I CA 0.882 62.200 61.300 0.029 0.000 1.113 476 I CB -0.843 37.161 38.000 0.006 0.000 0.999 476 I HN 0.298 nan 8.210 nan 0.000 0.166 477 V N 2.193 122.160 119.914 0.088 0.000 2.524 477 V HA 0.364 4.484 4.120 -0.001 0.000 0.297 477 V C -0.002 176.180 176.094 0.147 0.000 1.035 477 V CA -0.418 61.975 62.300 0.156 0.000 0.867 477 V CB 1.807 33.818 31.823 0.314 0.000 1.004 477 V HN 0.241 nan 8.190 nan 0.000 0.426 478 S N 6.143 121.923 115.700 0.133 0.000 2.549 478 S HA 0.595 5.064 4.470 -0.001 0.000 0.279 478 S C -0.272 174.441 174.600 0.187 0.000 1.321 478 S CA -0.243 58.042 58.200 0.143 0.000 1.054 478 S CB 0.399 63.687 63.200 0.146 0.000 0.899 478 S HN 0.486 nan 8.310 nan 0.000 0.497 479 L N 4.881 126.189 121.223 0.143 0.000 2.346 479 L HA 0.548 4.888 4.340 -0.001 0.000 0.274 479 L C -2.136 174.699 176.870 -0.059 0.000 1.007 479 L CA -2.441 52.452 54.840 0.087 0.000 0.818 479 L CB 2.016 44.131 42.059 0.093 0.000 1.284 479 L HN 0.387 nan 8.230 nan 0.000 0.424 480 P HA 0.242 nan 4.420 nan 0.000 0.276 480 P C -2.724 174.440 177.300 -0.226 0.000 1.252 480 P CA -1.551 61.136 63.100 -0.689 0.000 0.802 480 P CB 0.087 31.088 31.700 -1.164 0.000 1.035 481 P HA 0.019 nan 4.420 nan 0.000 0.272 481 P C 0.168 177.509 177.300 0.068 0.000 1.230 481 P CA 0.006 63.096 63.100 -0.017 0.000 0.788 481 P CB 0.362 32.063 31.700 0.001 0.000 0.949 482 S N 1.266 116.998 115.700 0.053 0.000 2.562 482 S HA 0.386 4.855 4.470 -0.001 0.000 0.281 482 S C -0.741 173.934 174.600 0.124 0.000 1.333 482 S CA -0.126 58.096 58.200 0.036 0.000 1.052 482 S CB -0.778 62.417 63.200 -0.008 0.000 0.884 482 S HN 0.466 nan 8.310 nan 0.000 0.506 483 Y N 0.888 121.157 120.300 -0.052 0.000 2.656 483 Y HA 0.597 5.146 4.550 -0.002 0.000 0.334 483 Y C -1.078 174.793 175.900 -0.048 0.000 1.179 483 Y CA -1.214 56.854 58.100 -0.054 0.000 1.050 483 Y CB 0.698 39.117 38.460 -0.068 0.000 1.308 483 Y HN 0.493 nan 8.280 nan 0.000 0.456 484 Q N 2.521 122.353 119.800 0.053 0.000 2.301 484 Q HA 0.741 5.080 4.340 -0.001 0.000 0.267 484 Q C -1.507 174.528 176.000 0.058 0.000 1.035 484 Q CA -1.181 54.601 55.803 -0.034 0.000 0.856 484 Q CB 3.457 32.180 28.738 -0.024 0.000 1.337 484 Q HN 0.836 nan 8.270 nan 0.000 0.450 485 I N -0.314 120.229 120.570 -0.044 0.000 2.918 485 I HA 0.393 4.562 4.170 -0.001 0.000 0.301 485 I C -1.663 174.301 176.117 -0.255 0.000 1.312 485 I CA -0.699 60.514 61.300 -0.145 0.000 1.007 485 I CB 1.962 39.848 38.000 -0.191 0.000 1.281 485 I HN 0.692 nan 8.210 nan 0.000 0.440 486 C N 5.455 124.576 119.300 -0.298 0.000 2.322 486 C HA 0.518 4.977 4.460 -0.001 0.000 0.324 486 C C -0.523 174.266 174.990 -0.335 0.000 1.284 486 C CA -0.486 58.409 59.018 -0.205 0.000 1.606 486 C CB 0.202 27.894 27.740 -0.079 0.000 2.251 486 C HN 0.463 nan 8.230 nan 0.000 0.502 487 F N 3.665 123.548 119.950 -0.111 0.000 2.334 487 F HA 0.439 4.965 4.527 -0.001 0.000 0.365 487 F C 0.573 176.419 175.800 0.076 0.000 1.124 487 F CA -0.234 57.646 58.000 -0.201 0.000 1.166 487 F CB 0.233 38.780 39.000 -0.754 0.000 1.355 487 F HN 0.383 nan 8.300 nan 0.000 0.532 488 I N 6.506 127.263 120.570 0.313 0.000 2.301 488 I HA 0.207 4.376 4.170 -0.001 0.000 0.292 488 I C -1.978 174.372 176.117 0.388 0.000 1.046 488 I CA -2.228 59.251 61.300 0.297 0.000 1.282 488 I CB 0.846 38.932 38.000 0.143 0.000 1.409 488 I HN 0.254 nan 8.210 nan 0.000 0.484 489 P HA -0.026 nan 4.420 nan 0.000 0.262 489 P C 0.158 177.454 177.300 -0.006 0.000 1.182 489 P CA 0.033 63.153 63.100 0.032 0.000 0.761 489 P CB 0.643 32.342 31.700 -0.002 0.000 0.795 490 V N 0.000 119.866 119.914 -0.080 0.000 2.409 490 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 490 V CA 0.000 62.276 62.300 -0.040 0.000 1.235 490 V CB 0.000 31.791 31.823 -0.053 0.000 1.184 490 V HN 0.000 nan 8.190 nan 0.000 0.556