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 1pq2_1_B DATA FIRST_RESID 28 DATA SEQUENCE KLPPGPTPLP IIGNMLQIDV KDICKSFTNF SKVYGPVFTV YFGMNPIVVF DATA SEQUENCE HGYEAVKEAL IDNGEEFSGR GNSPISQRIT KGLGIISSNG KRWKEIRRFS DATA SEQUENCE LTTLRNFGMG KRSIEDRVQE EAHCLVEELR KTKASPCDPT FILGCAPCNV DATA SEQUENCE ICSVVFQKRF DYKDQNFLTL MKRFNENFRI LNSPWIQVCN NFPLLIDCFP DATA SEQUENCE GTHNKVLKNV ALTRSYIREK VKEHQASLDV NNPRDFIDCF LIKMEQEKDN DATA SEQUENCE QKSEFNIENL VGTVADLFVA GTETTSTTLR YGLLLLLKHP EVTAKVQEEI DATA SEQUENCE DHVIGRHRSP CMQDRSHMPY TDAVVHEIQR YSDLVPTGVP HAVTTDTKFR DATA SEQUENCE NYLIPKGTTI MALLTSVLHD DKEFPNPNIF DPGHFLDKNG NFKKSDYFMP DATA SEQUENCE FSAGKRICAG EGLARMELFL FLTTILQNFN LKSVDDLKNL NTTAVTKGIV DATA SEQUENCE SLPPSYQICF IPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.685 176.600 0.142 0.000 0.988 28 K CA 0.000 56.356 56.287 0.115 0.000 0.838 28 K CB 0.000 32.568 32.500 0.114 0.000 1.064 29 L N 3.950 125.215 121.223 0.070 0.000 2.482 29 L HA 0.258 4.586 4.340 -0.019 0.000 0.273 29 L C -1.762 175.017 176.870 -0.151 0.000 1.228 29 L CA -1.447 53.390 54.840 -0.005 0.000 0.827 29 L CB 0.202 42.239 42.059 -0.037 0.000 1.099 29 L HN 0.500 nan 8.230 nan 0.000 0.494 30 P HA 0.074 nan 4.420 nan 0.000 0.267 30 P C -2.434 174.567 177.300 -0.499 0.000 1.200 30 P CA -0.738 61.801 63.100 -0.936 0.000 0.772 30 P CB 0.048 31.286 31.700 -0.770 0.000 0.855 31 P HA 0.252 nan 4.420 nan 0.000 0.267 31 P C 0.107 177.238 177.300 -0.282 0.000 1.200 31 P CA 0.634 63.623 63.100 -0.184 0.000 0.772 31 P CB 0.451 32.139 31.700 -0.021 0.000 0.855 32 G N 1.736 110.305 108.800 -0.385 0.000 2.506 32 G HA2 0.464 4.413 3.960 -0.019 0.000 0.292 32 G HA3 0.464 4.413 3.960 -0.019 0.000 0.292 32 G C -3.301 171.144 174.900 -0.758 0.000 1.425 32 G CA -1.059 43.517 45.100 -0.873 0.000 0.788 32 G HN 0.155 nan 8.290 nan 0.000 0.490 33 P HA 0.202 nan 4.420 nan 0.000 0.262 33 P C 0.168 177.366 177.300 -0.170 0.000 1.182 33 P CA 0.363 63.251 63.100 -0.354 0.000 0.761 33 P CB 0.403 31.829 31.700 -0.456 0.000 0.795 34 T N 6.742 121.258 114.554 -0.063 0.000 2.784 34 T HA 0.185 4.524 4.350 -0.019 0.000 0.291 34 T C -1.875 172.777 174.700 -0.080 0.000 0.942 34 T CA -0.747 61.314 62.100 -0.065 0.000 1.161 34 T CB -0.357 68.494 68.868 -0.028 0.000 0.885 34 T HN 0.356 nan 8.240 nan 0.000 0.534 35 P HA 0.273 nan 4.420 nan 0.000 0.280 35 P C -0.889 176.338 177.300 -0.122 0.000 1.244 35 P CA -0.756 62.251 63.100 -0.156 0.000 0.784 35 P CB 0.744 32.224 31.700 -0.367 0.000 0.913 36 L N 6.948 128.131 121.223 -0.066 0.000 2.360 36 L HA 0.224 4.553 4.340 -0.019 0.000 0.276 36 L C -1.063 175.783 176.870 -0.041 0.000 1.121 36 L CA -1.552 53.262 54.840 -0.042 0.000 0.845 36 L CB -0.309 41.740 42.059 -0.018 0.000 1.143 36 L HN 0.274 nan 8.230 nan 0.000 0.452 37 P HA -0.228 nan 4.420 nan 0.000 0.219 37 P C 1.299 178.605 177.300 0.009 0.000 1.151 37 P CA 1.552 64.630 63.100 -0.036 0.000 0.850 37 P CB 0.311 31.996 31.700 -0.026 0.000 0.784 38 I N -2.018 118.586 120.570 0.056 0.000 3.445 38 I HA 0.009 4.167 4.170 -0.019 0.000 0.288 38 I C 1.605 177.874 176.117 0.252 0.000 1.198 38 I CA 0.417 61.794 61.300 0.128 0.000 1.417 38 I CB -0.146 37.917 38.000 0.106 0.000 1.205 38 I HN -0.124 nan 8.210 nan 0.000 0.448 39 I N -1.679 119.009 120.570 0.196 0.000 3.928 39 I HA 0.425 4.584 4.170 -0.019 0.000 0.335 39 I C 1.306 177.550 176.117 0.213 0.000 1.325 39 I CA 0.564 62.040 61.300 0.294 0.000 1.107 39 I CB -1.514 36.546 38.000 0.101 0.000 1.014 39 I HN 0.262 nan 8.210 nan 0.000 0.400 40 G N 3.810 112.681 108.800 0.117 0.000 2.685 40 G HA2 -0.417 3.532 3.960 -0.019 0.000 0.329 40 G HA3 -0.417 3.532 3.960 -0.019 0.000 0.329 40 G C 0.307 175.226 174.900 0.032 0.000 1.271 40 G CA 1.071 46.207 45.100 0.060 0.000 1.003 40 G HN 0.604 nan 8.290 nan 0.000 0.549 41 N N 0.132 118.855 118.700 0.037 0.000 2.273 41 N HA 0.370 5.098 4.740 -0.019 0.000 0.231 41 N C 1.623 177.097 175.510 -0.061 0.000 1.134 41 N CA 0.156 53.203 53.050 -0.005 0.000 0.856 41 N CB 0.456 38.935 38.487 -0.012 0.000 1.068 41 N HN 0.375 nan 8.380 nan 0.000 0.510 42 M N 0.413 119.978 119.600 -0.058 0.000 2.108 42 M HA -0.118 4.351 4.480 -0.019 0.000 0.257 42 M C 0.827 177.069 176.300 -0.097 0.000 1.071 42 M CA 1.857 57.098 55.300 -0.098 0.000 1.093 42 M CB -0.153 32.489 32.600 0.070 0.000 1.345 42 M HN 0.202 nan 8.290 nan 0.000 0.403 43 L N -1.571 119.621 121.223 -0.052 0.000 2.558 43 L HA 0.057 4.386 4.340 -0.019 0.000 0.225 43 L C 1.711 178.562 176.870 -0.032 0.000 1.128 43 L CA 0.629 55.438 54.840 -0.051 0.000 0.868 43 L CB -0.900 41.135 42.059 -0.041 0.000 1.006 43 L HN 0.203 nan 8.230 nan 0.000 0.454 44 Q N -0.031 119.774 119.800 0.008 0.000 2.403 44 Q HA 0.292 4.620 4.340 -0.019 0.000 0.203 44 Q C -0.123 175.912 176.000 0.059 0.000 0.932 44 Q CA 0.470 56.323 55.803 0.083 0.000 0.945 44 Q CB 0.335 29.207 28.738 0.223 0.000 1.045 44 Q HN 0.446 nan 8.270 nan 0.000 0.511 45 I N -0.153 120.394 120.570 -0.038 0.000 2.545 45 I HA 0.208 4.367 4.170 -0.019 0.000 0.292 45 I C -0.859 175.165 176.117 -0.154 0.000 1.040 45 I CA -1.235 59.993 61.300 -0.120 0.000 1.068 45 I CB 2.020 39.911 38.000 -0.182 0.000 1.251 45 I HN -0.145 nan 8.210 nan 0.000 0.424 46 D N 4.691 124.988 120.400 -0.172 0.000 2.347 46 D HA 0.176 4.805 4.640 -0.019 0.000 0.235 46 D C 1.055 177.261 176.300 -0.157 0.000 1.149 46 D CA -0.535 53.374 54.000 -0.152 0.000 0.850 46 D CB 1.478 42.194 40.800 -0.140 0.000 1.061 46 D HN 0.364 nan 8.370 nan 0.000 0.487 47 V N 2.344 122.165 119.914 -0.155 0.000 2.688 47 V HA -0.208 3.901 4.120 -0.019 0.000 0.256 47 V C 1.813 177.831 176.094 -0.128 0.000 1.084 47 V CA 1.058 63.271 62.300 -0.145 0.000 1.103 47 V CB -0.821 30.890 31.823 -0.186 0.000 0.688 47 V HN 0.390 nan 8.190 nan 0.000 0.480 48 K N 0.730 121.056 120.400 -0.124 0.000 1.997 48 K HA -0.085 4.223 4.320 -0.019 0.000 0.219 48 K C 1.244 177.797 176.600 -0.079 0.000 1.023 48 K CA 1.312 57.542 56.287 -0.096 0.000 1.003 48 K CB -0.674 31.775 32.500 -0.085 0.000 0.842 48 K HN 0.349 nan 8.250 nan 0.000 0.445 49 D N 2.362 122.717 120.400 -0.076 0.000 2.848 49 D HA -0.041 4.588 4.640 -0.019 0.000 0.232 49 D C 1.053 177.299 176.300 -0.090 0.000 1.107 49 D CA -0.023 53.939 54.000 -0.064 0.000 1.020 49 D CB -0.449 40.316 40.800 -0.058 0.000 1.148 49 D HN 0.220 nan 8.370 nan 0.000 0.453 50 I N 0.385 120.892 120.570 -0.106 0.000 2.623 50 I HA -0.292 3.867 4.170 -0.019 0.000 0.261 50 I C 1.827 177.819 176.117 -0.208 0.000 1.204 50 I CA 0.815 62.003 61.300 -0.186 0.000 1.444 50 I CB -0.479 37.439 38.000 -0.136 0.000 1.094 50 I HN 0.330 nan 8.210 nan 0.000 0.451 51 C N 0.837 120.114 119.300 -0.040 0.000 2.486 51 C HA -0.118 4.331 4.460 -0.019 0.000 0.279 51 C C 2.777 177.827 174.990 0.101 0.000 1.302 51 C CA 0.967 60.045 59.018 0.099 0.000 1.720 51 C CB -0.673 27.127 27.740 0.100 0.000 2.030 51 C HN 0.435 nan 8.230 nan 0.000 0.490 52 K N 1.439 121.842 120.400 0.004 0.000 2.147 52 K HA -0.036 4.273 4.320 -0.019 0.000 0.205 52 K C 2.152 178.710 176.600 -0.071 0.000 1.049 52 K CA 1.944 58.220 56.287 -0.018 0.000 0.936 52 K CB -0.386 32.080 32.500 -0.057 0.000 0.722 52 K HN 0.542 nan 8.250 nan 0.000 0.446 53 S N 0.217 115.823 115.700 -0.156 0.000 2.370 53 S HA -0.096 4.363 4.470 -0.019 0.000 0.226 53 S C 1.613 176.124 174.600 -0.150 0.000 1.033 53 S CA 1.159 59.171 58.200 -0.314 0.000 1.011 53 S CB -0.416 62.573 63.200 -0.352 0.000 0.852 53 S HN 0.203 nan 8.310 nan 0.000 0.457 54 F N 2.257 122.292 119.950 0.142 0.000 2.186 54 F HA -0.030 4.486 4.527 -0.018 0.000 0.299 54 F C 2.731 178.744 175.800 0.354 0.000 1.090 54 F CA 0.599 58.852 58.000 0.422 0.000 1.307 54 F CB -1.634 37.601 39.000 0.392 0.000 1.019 54 F HN 0.155 nan 8.300 nan 0.000 0.489 55 T N -0.388 114.380 114.554 0.357 0.000 2.737 55 T HA -0.177 4.162 4.350 -0.019 0.000 0.265 55 T C 1.798 176.504 174.700 0.011 0.000 1.038 55 T CA 1.627 63.841 62.100 0.190 0.000 1.144 55 T CB -0.595 68.369 68.868 0.159 0.000 0.866 55 T HN 0.301 nan 8.240 nan 0.000 0.434 56 N N 0.513 119.177 118.700 -0.061 0.000 2.061 56 N HA -0.078 4.650 4.740 -0.019 0.000 0.193 56 N C 1.625 177.053 175.510 -0.137 0.000 1.030 56 N CA 1.186 54.140 53.050 -0.160 0.000 0.856 56 N CB -0.385 37.930 38.487 -0.287 0.000 1.023 56 N HN 0.332 nan 8.380 nan 0.000 0.424 57 F N 0.969 120.858 119.950 -0.101 0.000 2.307 57 F HA -0.198 4.316 4.527 -0.022 0.000 0.301 57 F C 2.771 178.320 175.800 -0.418 0.000 1.076 57 F CA 0.668 58.497 58.000 -0.285 0.000 1.383 57 F CB -0.154 38.489 39.000 -0.595 0.000 1.055 57 F HN 0.187 nan 8.300 nan 0.000 0.526 58 S N 0.018 115.661 115.700 -0.094 0.000 2.414 58 S HA -0.119 4.339 4.470 -0.019 0.000 0.227 58 S C 1.698 176.253 174.600 -0.074 0.000 1.022 58 S CA 0.504 58.670 58.200 -0.057 0.000 0.958 58 S CB -0.309 62.689 63.200 -0.336 0.000 0.797 58 S HN 0.333 nan 8.310 nan 0.000 0.493 59 K N 0.608 120.948 120.400 -0.101 0.000 2.362 59 K HA 0.075 4.383 4.320 -0.019 0.000 0.200 59 K C 1.652 178.184 176.600 -0.114 0.000 1.046 59 K CA 0.971 57.209 56.287 -0.080 0.000 0.952 59 K CB -0.148 32.309 32.500 -0.073 0.000 0.753 59 K HN 0.314 nan 8.250 nan 0.000 0.466 60 V N -0.627 119.182 119.914 -0.176 0.000 2.398 60 V HA -0.129 3.980 4.120 -0.019 0.000 0.236 60 V C 1.441 177.250 176.094 -0.474 0.000 1.054 60 V CA 1.150 63.215 62.300 -0.392 0.000 1.060 60 V CB -0.410 31.034 31.823 -0.633 0.000 0.707 60 V HN 0.150 nan 8.190 nan 0.000 0.480 61 Y N 0.842 121.083 120.300 -0.097 0.000 2.500 61 Y HA 0.530 5.069 4.550 -0.019 0.000 0.270 61 Y C 1.365 177.286 175.900 0.034 0.000 1.134 61 Y CA 0.585 58.650 58.100 -0.059 0.000 1.293 61 Y CB -0.057 38.322 38.460 -0.135 0.000 1.063 61 Y HN 0.437 nan 8.280 nan 0.000 0.534 62 G N 0.042 108.945 108.800 0.173 0.000 2.447 62 G HA2 -0.196 3.753 3.960 -0.019 0.000 0.220 62 G HA3 -0.196 3.753 3.960 -0.019 0.000 0.220 62 G C -2.254 172.832 174.900 0.310 0.000 1.261 62 G CA -0.531 44.692 45.100 0.205 0.000 1.000 62 G HN -0.015 nan 8.290 nan 0.000 0.515 63 P HA 0.120 nan 4.420 nan 0.000 0.214 63 P C 0.781 178.158 177.300 0.129 0.000 1.162 63 P CA 1.592 64.862 63.100 0.283 0.000 0.879 63 P CB 0.024 31.882 31.700 0.263 0.000 0.786 64 V N 0.923 120.884 119.914 0.078 0.000 2.394 64 V HA 0.484 4.593 4.120 -0.019 0.000 0.282 64 V C -0.217 175.783 176.094 -0.158 0.000 1.031 64 V CA -0.489 61.645 62.300 -0.276 0.000 0.881 64 V CB 0.207 31.986 31.823 -0.073 0.000 0.982 64 V HN 0.045 nan 8.190 nan 0.000 0.451 65 F N 1.036 120.719 119.950 -0.445 0.000 2.686 65 F HA 0.822 5.337 4.527 -0.020 0.000 0.311 65 F C -0.567 174.946 175.800 -0.478 0.000 1.128 65 F CA -0.925 56.823 58.000 -0.420 0.000 0.946 65 F CB 1.662 40.475 39.000 -0.311 0.000 1.336 65 F HN 0.216 nan 8.300 nan 0.000 0.457 66 T N 2.273 116.733 114.554 -0.157 0.000 2.786 66 T HA 0.598 4.937 4.350 -0.019 0.000 0.283 66 T C -1.135 173.459 174.700 -0.177 0.000 0.992 66 T CA -0.653 61.305 62.100 -0.237 0.000 0.954 66 T CB 1.297 70.001 68.868 -0.273 0.000 0.934 66 T HN 0.943 nan 8.240 nan 0.000 0.440 67 V N 4.194 124.036 119.914 -0.119 0.000 2.680 67 V HA 0.755 4.864 4.120 -0.019 0.000 0.309 67 V C -1.847 174.276 176.094 0.049 0.000 1.052 67 V CA -0.746 61.556 62.300 0.003 0.000 0.908 67 V CB 1.344 33.262 31.823 0.158 0.000 1.001 67 V HN 0.781 nan 8.190 nan 0.000 0.431 68 Y N 4.797 125.131 120.300 0.056 0.000 2.419 68 Y HA 0.620 5.159 4.550 -0.018 0.000 0.328 68 Y C 0.324 176.326 175.900 0.171 0.000 1.162 68 Y CA -0.451 57.727 58.100 0.131 0.000 1.174 68 Y CB 1.812 40.298 38.460 0.043 0.000 1.228 68 Y HN 0.691 nan 8.280 nan 0.000 0.473 69 F N -0.240 119.792 119.950 0.137 0.000 2.468 69 F HA 0.318 4.835 4.527 -0.016 0.000 0.250 69 F C 1.833 177.625 175.800 -0.014 0.000 0.990 69 F CA 0.666 58.708 58.000 0.070 0.000 1.043 69 F CB -0.518 38.471 39.000 -0.018 0.000 1.184 69 F HN 0.655 nan 8.300 nan 0.000 0.690 70 G N -0.197 108.556 108.800 -0.078 0.000 3.142 70 G HA2 -0.006 3.943 3.960 -0.019 0.000 0.178 70 G HA3 -0.006 3.943 3.960 -0.019 0.000 0.178 70 G C 0.634 175.562 174.900 0.046 0.000 1.941 70 G CA 0.102 44.980 45.100 -0.369 0.000 0.902 70 G HN 0.161 nan 8.290 nan 0.000 0.517 71 M N 0.912 120.535 119.600 0.039 0.000 2.428 71 M HA 0.310 4.779 4.480 -0.019 0.000 0.239 71 M C 0.009 176.429 176.300 0.200 0.000 1.121 71 M CA -0.183 55.194 55.300 0.129 0.000 1.019 71 M CB -0.418 32.227 32.600 0.076 0.000 1.485 71 M HN 0.265 nan 8.290 nan 0.000 0.484 72 N N 2.564 121.338 118.700 0.123 0.000 2.401 72 N HA 0.214 4.943 4.740 -0.019 0.000 0.255 72 N C -2.562 172.926 175.510 -0.037 0.000 1.110 72 N CA -1.369 51.707 53.050 0.043 0.000 0.949 72 N CB 0.385 38.850 38.487 -0.038 0.000 1.110 72 N HN 0.151 nan 8.380 nan 0.000 0.490 73 P HA 0.151 nan 4.420 nan 0.000 0.275 73 P C -0.575 176.529 177.300 -0.325 0.000 1.227 73 P CA 0.136 62.868 63.100 -0.614 0.000 0.781 73 P CB 1.308 32.666 31.700 -0.570 0.000 0.906 74 I N 2.903 123.286 120.570 -0.312 0.000 2.542 74 I HA 0.105 4.264 4.170 -0.019 0.000 0.278 74 I C 0.250 176.198 176.117 -0.281 0.000 1.069 74 I CA -1.096 60.080 61.300 -0.207 0.000 1.100 74 I CB 2.065 40.014 38.000 -0.084 0.000 1.204 74 I HN 0.098 nan 8.210 nan 0.000 0.470 75 V N 7.875 127.607 119.914 -0.303 0.000 2.508 75 V HA 0.408 4.517 4.120 -0.019 0.000 0.281 75 V C -0.256 175.455 176.094 -0.638 0.000 1.041 75 V CA 0.244 62.264 62.300 -0.468 0.000 1.016 75 V CB 1.488 33.056 31.823 -0.425 0.000 0.984 75 V HN 0.363 nan 8.190 nan 0.000 0.478 76 V N 7.388 126.697 119.914 -1.009 0.000 2.532 76 V HA 0.566 4.675 4.120 -0.019 0.000 0.295 76 V C -0.333 175.001 176.094 -1.266 0.000 1.041 76 V CA -0.388 61.227 62.300 -1.142 0.000 0.926 76 V CB 1.519 32.359 31.823 -1.639 0.000 0.992 76 V HN 0.824 nan 8.190 nan 0.000 0.457 77 F N 3.093 122.670 119.950 -0.622 0.000 2.493 77 F HA 0.526 5.042 4.527 -0.018 0.000 0.329 77 F C 0.054 175.712 175.800 -0.236 0.000 1.126 77 F CA -0.412 57.339 58.000 -0.415 0.000 0.937 77 F CB 1.343 40.067 39.000 -0.460 0.000 1.146 77 F HN 0.505 nan 8.300 nan 0.000 0.442 78 H N 1.892 120.938 119.070 -0.040 0.000 2.600 78 H HA 0.619 5.163 4.556 -0.019 0.000 0.357 78 H C -0.120 175.276 175.328 0.113 0.000 1.106 78 H CA -0.089 55.994 56.048 0.059 0.000 1.193 78 H CB 1.887 31.743 29.762 0.157 0.000 1.594 78 H HN 0.856 nan 8.280 nan 0.000 0.526 79 G N 3.413 112.046 108.800 -0.279 0.000 2.777 79 G HA2 -0.309 3.640 3.960 -0.019 0.000 0.686 79 G HA3 -0.309 3.640 3.960 -0.019 0.000 0.686 79 G C 0.100 175.029 174.900 0.049 0.000 1.177 79 G CA 0.167 45.252 45.100 -0.023 0.000 0.775 79 G HN 0.753 nan 8.290 nan 0.000 0.613 80 Y N 0.671 120.958 120.300 -0.022 0.000 2.030 80 Y HA -0.287 4.251 4.550 -0.019 0.000 0.272 80 Y C 2.691 178.535 175.900 -0.093 0.000 1.185 80 Y CA 3.183 61.198 58.100 -0.141 0.000 1.120 80 Y CB -0.184 38.082 38.460 -0.325 0.000 0.955 80 Y HN 0.901 nan 8.280 nan 0.000 0.495 81 E N -0.378 119.827 120.200 0.008 0.000 2.130 81 E HA -0.269 4.070 4.350 -0.019 0.000 0.196 81 E C 2.119 178.689 176.600 -0.051 0.000 0.998 81 E CA 1.376 57.746 56.400 -0.051 0.000 0.806 81 E CB -0.383 29.381 29.700 0.106 0.000 0.738 81 E HN 0.598 nan 8.360 nan 0.000 0.459 82 A N -0.062 122.790 122.820 0.055 0.000 1.935 82 A HA 0.004 4.313 4.320 -0.019 0.000 0.214 82 A C 2.288 179.885 177.584 0.021 0.000 1.178 82 A CA 0.687 52.847 52.037 0.205 0.000 0.640 82 A CB -0.120 19.062 19.000 0.305 0.000 0.825 82 A HN 0.198 nan 8.150 nan 0.000 0.447 83 V N 0.484 120.323 119.914 -0.125 0.000 2.427 83 V HA -0.221 3.888 4.120 -0.019 0.000 0.248 83 V C 2.483 178.353 176.094 -0.373 0.000 1.051 83 V CA 2.297 64.436 62.300 -0.268 0.000 1.048 83 V CB -0.552 31.142 31.823 -0.215 0.000 0.666 83 V HN 0.681 nan 8.190 nan 0.000 0.456 84 K N 0.554 120.689 120.400 -0.441 0.000 2.076 84 K HA -0.209 4.100 4.320 -0.019 0.000 0.204 84 K C 2.205 178.638 176.600 -0.278 0.000 1.051 84 K CA 1.654 57.666 56.287 -0.458 0.000 0.949 84 K CB -0.096 31.934 32.500 -0.783 0.000 0.726 84 K HN 0.539 nan 8.250 nan 0.000 0.443 85 E N -0.016 120.077 120.200 -0.179 0.000 2.209 85 E HA -0.192 4.146 4.350 -0.019 0.000 0.196 85 E C 1.439 178.044 176.600 0.008 0.000 0.993 85 E CA 1.147 57.528 56.400 -0.033 0.000 0.819 85 E CB -0.010 29.716 29.700 0.043 0.000 0.745 85 E HN 0.425 nan 8.360 nan 0.000 0.477 86 A N 0.212 122.853 122.820 -0.300 0.000 1.862 86 A HA 0.023 4.332 4.320 -0.019 0.000 0.211 86 A C 1.967 179.202 177.584 -0.581 0.000 1.220 86 A CA 0.532 52.033 52.037 -0.893 0.000 0.616 86 A CB -0.482 17.229 19.000 -2.148 0.000 0.878 86 A HN 0.267 nan 8.150 nan 0.000 0.453 87 L N 0.111 121.041 121.223 -0.489 0.000 2.017 87 L HA -0.129 4.200 4.340 -0.019 0.000 0.208 87 L C 2.209 179.034 176.870 -0.075 0.000 1.073 87 L CA 1.441 56.139 54.840 -0.237 0.000 0.745 87 L CB -0.560 41.355 42.059 -0.240 0.000 0.894 87 L HN 0.327 nan 8.230 nan 0.000 0.432 88 I N -0.813 119.702 120.570 -0.092 0.000 2.883 88 I HA -0.099 4.059 4.170 -0.019 0.000 0.230 88 I C 1.954 178.077 176.117 0.009 0.000 1.052 88 I CA 0.745 62.028 61.300 -0.029 0.000 1.434 88 I CB -1.515 36.454 38.000 -0.052 0.000 1.269 88 I HN 0.153 nan 8.210 nan 0.000 0.436 89 D N 1.353 121.750 120.400 -0.005 0.000 2.280 89 D HA -0.188 4.441 4.640 -0.019 0.000 0.206 89 D C 0.922 177.274 176.300 0.086 0.000 0.988 89 D CA 1.193 55.209 54.000 0.028 0.000 0.886 89 D CB -0.269 40.534 40.800 0.005 0.000 0.914 89 D HN 0.425 nan 8.370 nan 0.000 0.473 90 N N -0.888 117.901 118.700 0.148 0.000 2.387 90 N HA 0.097 4.825 4.740 -0.019 0.000 0.259 90 N C 1.398 177.089 175.510 0.301 0.000 1.369 90 N CA 0.080 53.287 53.050 0.263 0.000 0.867 90 N CB 1.228 40.020 38.487 0.509 0.000 1.341 90 N HN 0.056 nan 8.380 nan 0.000 0.495 91 G N 1.106 110.013 108.800 0.178 0.000 2.507 91 G HA2 -0.274 3.675 3.960 -0.019 0.000 0.221 91 G HA3 -0.274 3.675 3.960 -0.019 0.000 0.221 91 G C 1.398 176.389 174.900 0.151 0.000 1.119 91 G CA 0.758 45.955 45.100 0.162 0.000 0.751 91 G HN 0.209 nan 8.290 nan 0.000 0.574 92 E N 0.466 120.731 120.200 0.109 0.000 2.107 92 E HA -0.051 4.288 4.350 -0.019 0.000 0.191 92 E C 2.465 179.076 176.600 0.019 0.000 0.982 92 E CA 0.837 57.285 56.400 0.080 0.000 0.809 92 E CB 0.054 29.792 29.700 0.064 0.000 0.756 92 E HN 0.500 nan 8.360 nan 0.000 0.459 93 E N -0.894 119.280 120.200 -0.043 0.000 2.216 93 E HA -0.032 4.307 4.350 -0.019 0.000 0.192 93 E C 0.990 177.387 176.600 -0.339 0.000 0.988 93 E CA 0.476 56.745 56.400 -0.219 0.000 0.834 93 E CB -0.095 29.406 29.700 -0.331 0.000 0.772 93 E HN 0.176 nan 8.360 nan 0.000 0.479 94 F N 0.153 120.085 119.950 -0.029 0.000 2.645 94 F HA 0.126 4.641 4.527 -0.020 0.000 0.300 94 F C 1.609 177.432 175.800 0.039 0.000 1.115 94 F CA -0.114 57.866 58.000 -0.033 0.000 1.355 94 F CB 0.363 39.288 39.000 -0.126 0.000 1.026 94 F HN -0.020 nan 8.300 nan 0.000 0.536 95 S N -1.079 114.656 115.700 0.058 0.000 2.528 95 S HA 0.159 4.617 4.470 -0.019 0.000 0.219 95 S C 1.427 175.783 174.600 -0.407 0.000 0.985 95 S CA 0.082 58.218 58.200 -0.106 0.000 0.914 95 S CB -0.561 62.634 63.200 -0.008 0.000 0.776 95 S HN 0.203 nan 8.310 nan 0.000 0.526 96 G N 1.445 110.083 108.800 -0.269 0.000 2.732 96 G HA2 0.379 4.328 3.960 -0.019 0.000 0.244 96 G HA3 0.379 4.328 3.960 -0.019 0.000 0.244 96 G C -0.351 174.287 174.900 -0.437 0.000 1.226 96 G CA -0.594 44.310 45.100 -0.327 0.000 0.860 96 G HN 0.493 nan 8.290 nan 0.000 0.583 97 R N -0.313 119.955 120.500 -0.386 0.000 2.494 97 R HA 0.520 4.849 4.340 -0.019 0.000 0.305 97 R C 0.485 176.675 176.300 -0.184 0.000 0.959 97 R CA -0.298 55.592 56.100 -0.351 0.000 0.864 97 R CB 0.998 31.073 30.300 -0.375 0.000 1.159 97 R HN 0.682 nan 8.270 nan 0.000 0.446 98 G N 3.813 112.541 108.800 -0.119 0.000 2.209 98 G HA2 -0.104 3.845 3.960 -0.019 0.000 0.271 98 G HA3 -0.104 3.845 3.960 -0.019 0.000 0.271 98 G C -0.125 174.725 174.900 -0.082 0.000 1.111 98 G CA -0.138 44.915 45.100 -0.079 0.000 1.092 98 G HN 0.846 nan 8.290 nan 0.000 0.416 99 N N 1.262 119.914 118.700 -0.079 0.000 2.440 99 N HA 0.209 4.938 4.740 -0.019 0.000 0.265 99 N C 0.097 175.570 175.510 -0.062 0.000 1.239 99 N CA 0.174 53.185 53.050 -0.065 0.000 0.909 99 N CB 0.369 38.822 38.487 -0.057 0.000 1.066 99 N HN 0.357 nan 8.380 nan 0.000 0.474 100 S N 4.589 120.260 115.700 -0.049 0.000 2.707 100 S HA 0.400 4.858 4.470 -0.019 0.000 0.303 100 S C -1.778 172.807 174.600 -0.025 0.000 1.132 100 S CA -1.661 56.513 58.200 -0.043 0.000 1.046 100 S CB 1.575 64.751 63.200 -0.041 0.000 1.004 100 S HN 0.498 nan 8.310 nan 0.000 0.483 101 P HA -0.133 nan 4.420 nan 0.000 0.217 101 P C 1.501 178.802 177.300 0.001 0.000 1.148 101 P CA 1.122 64.222 63.100 -0.000 0.000 0.828 101 P CB 0.093 31.800 31.700 0.012 0.000 0.783 102 I N 0.775 121.342 120.570 -0.005 0.000 2.163 102 I HA -0.213 3.946 4.170 -0.019 0.000 0.240 102 I C 2.739 178.841 176.117 -0.023 0.000 1.081 102 I CA 2.106 63.394 61.300 -0.020 0.000 1.353 102 I CB -0.734 37.254 38.000 -0.021 0.000 1.054 102 I HN 0.076 nan 8.210 nan 0.000 0.407 103 S N -0.004 115.687 115.700 -0.016 0.000 2.419 103 S HA -0.253 4.206 4.470 -0.019 0.000 0.233 103 S C 1.931 176.528 174.600 -0.004 0.000 1.016 103 S CA 0.984 59.179 58.200 -0.009 0.000 0.974 103 S CB -0.397 62.797 63.200 -0.009 0.000 0.786 103 S HN 0.479 nan 8.310 nan 0.000 0.492 104 Q N 1.062 120.858 119.800 -0.006 0.000 2.245 104 Q HA 0.038 4.367 4.340 -0.019 0.000 0.201 104 Q C 2.350 178.355 176.000 0.008 0.000 0.955 104 Q CA 0.632 56.435 55.803 0.001 0.000 0.870 104 Q CB -0.104 28.633 28.738 -0.001 0.000 0.945 104 Q HN 0.670 nan 8.270 nan 0.000 0.461 105 R N -0.115 120.388 120.500 0.004 0.000 2.090 105 R HA -0.016 4.313 4.340 -0.019 0.000 0.228 105 R C 2.218 178.521 176.300 0.005 0.000 1.110 105 R CA 0.752 56.857 56.100 0.008 0.000 0.973 105 R CB 0.041 30.337 30.300 -0.007 0.000 0.869 105 R HN 0.238 nan 8.270 nan 0.000 0.440 106 I N -0.422 120.145 120.570 -0.004 0.000 2.146 106 I HA -0.220 3.938 4.170 -0.019 0.000 0.231 106 I C 2.504 178.637 176.117 0.025 0.000 1.063 106 I CA 1.654 62.958 61.300 0.007 0.000 1.340 106 I CB -0.799 37.206 38.000 0.007 0.000 1.100 106 I HN 0.266 nan 8.210 nan 0.000 0.403 107 T N -1.237 113.334 114.554 0.028 0.000 3.007 107 T HA -0.135 4.204 4.350 -0.019 0.000 0.270 107 T C 1.072 175.790 174.700 0.030 0.000 1.107 107 T CA 0.932 63.053 62.100 0.035 0.000 1.118 107 T CB -0.317 68.572 68.868 0.035 0.000 0.889 107 T HN 0.405 nan 8.240 nan 0.000 0.506 108 K N 0.044 120.459 120.400 0.024 0.000 3.349 108 K HA -0.203 4.106 4.320 -0.019 0.000 0.310 108 K C 1.084 177.696 176.600 0.021 0.000 1.267 108 K CA 0.456 56.757 56.287 0.023 0.000 0.920 108 K CB -2.252 30.264 32.500 0.027 0.000 1.240 108 K HN 0.927 nan 8.250 nan 0.000 0.453 109 G N 0.022 108.834 108.800 0.020 0.000 2.176 109 G HA2 -0.297 3.652 3.960 -0.019 0.000 0.253 109 G HA3 -0.297 3.652 3.960 -0.019 0.000 0.253 109 G C 0.146 175.064 174.900 0.030 0.000 0.979 109 G CA 0.476 45.588 45.100 0.020 0.000 0.641 109 G HN 0.195 nan 8.290 nan 0.000 0.530 110 L N -0.111 121.130 121.223 0.031 0.000 2.431 110 L HA 0.749 5.078 4.340 -0.019 0.000 0.260 110 L C 1.399 178.295 176.870 0.044 0.000 1.098 110 L CA -0.036 54.824 54.840 0.033 0.000 0.800 110 L CB 0.973 43.049 42.059 0.027 0.000 1.210 110 L HN 1.222 nan 8.230 nan 0.000 0.465 111 G N 0.224 109.051 108.800 0.044 0.000 2.587 111 G HA2 -0.192 3.756 3.960 -0.019 0.000 0.212 111 G HA3 -0.192 3.756 3.960 -0.019 0.000 0.212 111 G C 0.116 175.081 174.900 0.107 0.000 1.327 111 G CA -0.095 45.040 45.100 0.059 0.000 0.898 111 G HN 0.584 nan 8.290 nan 0.000 0.551 112 I N -0.106 120.539 120.570 0.124 0.000 2.726 112 I HA 0.200 4.359 4.170 -0.019 0.000 0.243 112 I C 2.818 179.082 176.117 0.245 0.000 1.082 112 I CA 0.472 61.904 61.300 0.220 0.000 1.447 112 I CB -0.657 37.440 38.000 0.162 0.000 1.250 112 I HN 0.484 nan 8.210 nan 0.000 0.453 113 I N 1.345 121.991 120.570 0.127 0.000 2.091 113 I HA -0.339 3.819 4.170 -0.019 0.000 0.240 113 I C 1.821 177.939 176.117 0.002 0.000 1.046 113 I CA 1.838 63.176 61.300 0.062 0.000 1.306 113 I CB -0.348 37.678 38.000 0.043 0.000 1.018 113 I HN 0.212 nan 8.210 nan 0.000 0.404 114 S N 0.198 115.906 115.700 0.015 0.000 2.582 114 S HA 0.122 4.581 4.470 -0.019 0.000 0.234 114 S C 0.464 175.052 174.600 -0.020 0.000 0.961 114 S CA -0.258 57.928 58.200 -0.023 0.000 0.953 114 S CB -0.112 63.085 63.200 -0.005 0.000 0.800 114 S HN 0.500 nan 8.310 nan 0.000 0.471 115 S N 1.781 117.495 115.700 0.024 0.000 2.651 115 S HA 0.622 5.081 4.470 -0.019 0.000 0.291 115 S C -0.429 174.187 174.600 0.028 0.000 1.141 115 S CA -0.783 57.462 58.200 0.074 0.000 1.027 115 S CB 1.226 64.534 63.200 0.180 0.000 1.043 115 S HN 0.204 nan 8.310 nan 0.000 0.530 116 N N -0.602 118.140 118.700 0.070 0.000 2.571 116 N HA 0.653 5.382 4.740 -0.019 0.000 0.273 116 N C 0.518 176.121 175.510 0.156 0.000 1.340 116 N CA 0.240 53.319 53.050 0.048 0.000 0.789 116 N CB 1.529 39.976 38.487 -0.066 0.000 1.514 116 N HN 1.099 nan 8.380 nan 0.000 0.499 117 G N 1.147 110.048 108.800 0.168 0.000 2.574 117 G HA2 -0.381 3.568 3.960 -0.019 0.000 0.282 117 G HA3 -0.381 3.568 3.960 -0.019 0.000 0.282 117 G C 0.849 175.857 174.900 0.181 0.000 1.257 117 G CA 0.874 46.068 45.100 0.155 0.000 0.956 117 G HN 0.645 nan 8.290 nan 0.000 0.560 118 K N 0.047 120.509 120.400 0.104 0.000 2.034 118 K HA -0.215 4.094 4.320 -0.019 0.000 0.214 118 K C 2.714 179.350 176.600 0.060 0.000 1.051 118 K CA 1.994 58.324 56.287 0.071 0.000 0.931 118 K CB -0.210 32.319 32.500 0.048 0.000 0.715 118 K HN 0.501 nan 8.250 nan 0.000 0.446 119 R N 0.323 120.862 120.500 0.064 0.000 2.103 119 R HA -0.235 4.094 4.340 -0.019 0.000 0.234 119 R C 2.188 178.524 176.300 0.059 0.000 1.132 119 R CA 2.157 58.276 56.100 0.031 0.000 0.925 119 R CB -0.618 29.705 30.300 0.038 0.000 0.842 119 R HN 0.403 nan 8.270 nan 0.000 0.430 120 W N 1.901 123.191 121.300 -0.016 0.000 2.304 120 W HA -0.250 4.400 4.660 -0.017 0.000 0.315 120 W C 1.755 178.288 176.519 0.023 0.000 1.233 120 W CA 2.176 59.519 57.345 -0.003 0.000 1.261 120 W CB -0.244 29.207 29.460 -0.014 0.000 1.150 120 W HN 0.098 nan 8.180 nan 0.000 0.494 121 K N -0.196 120.039 120.400 -0.275 0.000 2.063 121 K HA -0.217 4.092 4.320 -0.019 0.000 0.208 121 K C 1.953 178.397 176.600 -0.261 0.000 1.048 121 K CA 2.091 58.099 56.287 -0.464 0.000 0.928 121 K CB -0.417 31.980 32.500 -0.171 0.000 0.713 121 K HN 0.346 nan 8.250 nan 0.000 0.442 122 E N 0.563 120.708 120.200 -0.091 0.000 2.047 122 E HA -0.127 4.211 4.350 -0.019 0.000 0.191 122 E C 2.054 178.733 176.600 0.132 0.000 0.987 122 E CA 0.785 57.224 56.400 0.064 0.000 0.799 122 E CB -0.007 29.752 29.700 0.098 0.000 0.752 122 E HN 0.205 nan 8.360 nan 0.000 0.449 123 I N 1.063 121.616 120.570 -0.028 0.000 2.361 123 I HA -0.210 3.949 4.170 -0.019 0.000 0.251 123 I C 2.506 178.724 176.117 0.168 0.000 1.133 123 I CA 1.155 62.519 61.300 0.107 0.000 1.413 123 I CB -0.721 37.309 38.000 0.050 0.000 1.073 123 I HN 0.111 nan 8.210 nan 0.000 0.424 124 R N 0.925 121.369 120.500 -0.094 0.000 2.075 124 R HA -0.110 4.219 4.340 -0.019 0.000 0.226 124 R C 2.475 178.730 176.300 -0.075 0.000 1.114 124 R CA 0.823 56.826 56.100 -0.161 0.000 0.972 124 R CB -0.063 29.904 30.300 -0.556 0.000 0.869 124 R HN 0.179 nan 8.270 nan 0.000 0.437 125 R N -0.245 120.211 120.500 -0.073 0.000 2.073 125 R HA -0.184 4.145 4.340 -0.019 0.000 0.234 125 R C 2.172 178.516 176.300 0.074 0.000 1.134 125 R CA 1.915 58.006 56.100 -0.015 0.000 0.952 125 R CB -0.482 29.816 30.300 -0.002 0.000 0.850 125 R HN 0.249 nan 8.270 nan 0.000 0.433 126 F N 1.045 121.048 119.950 0.087 0.000 2.095 126 F HA -0.217 4.299 4.527 -0.019 0.000 0.298 126 F C 2.209 178.093 175.800 0.140 0.000 1.104 126 F CA 2.059 60.131 58.000 0.120 0.000 1.232 126 F CB -0.304 38.879 39.000 0.304 0.000 0.987 126 F HN -0.020 nan 8.300 nan 0.000 0.475 127 S N 1.147 116.855 115.700 0.014 0.000 2.382 127 S HA -0.164 4.295 4.470 -0.019 0.000 0.228 127 S C 2.058 176.628 174.600 -0.051 0.000 1.027 127 S CA 1.492 59.726 58.200 0.058 0.000 0.991 127 S CB -0.572 62.774 63.200 0.243 0.000 0.823 127 S HN 0.397 nan 8.310 nan 0.000 0.469 128 L N 1.237 122.424 121.223 -0.061 0.000 2.027 128 L HA -0.138 4.191 4.340 -0.019 0.000 0.206 128 L C 3.008 179.815 176.870 -0.105 0.000 1.074 128 L CA 1.666 56.463 54.840 -0.072 0.000 0.745 128 L CB -1.141 40.882 42.059 -0.061 0.000 0.898 128 L HN 0.491 nan 8.230 nan 0.000 0.433 129 T N -4.589 109.882 114.554 -0.137 0.000 2.737 129 T HA -0.176 4.162 4.350 -0.019 0.000 0.265 129 T C 1.766 176.352 174.700 -0.190 0.000 1.038 129 T CA 1.705 63.722 62.100 -0.138 0.000 1.144 129 T CB -0.858 67.942 68.868 -0.114 0.000 0.866 129 T HN 0.199 nan 8.240 nan 0.000 0.434 130 T N 2.300 116.640 114.554 -0.356 0.000 2.803 130 T HA 0.117 4.456 4.350 -0.019 0.000 0.269 130 T C 1.663 176.273 174.700 -0.150 0.000 1.052 130 T CA 0.853 62.727 62.100 -0.375 0.000 1.136 130 T CB -0.450 67.952 68.868 -0.777 0.000 0.864 130 T HN 0.299 nan 8.240 nan 0.000 0.467 131 L N 0.205 121.373 121.223 -0.092 0.000 2.599 131 L HA 0.173 4.502 4.340 -0.019 0.000 0.230 131 L C 1.114 177.938 176.870 -0.076 0.000 1.141 131 L CA -0.095 54.716 54.840 -0.048 0.000 0.877 131 L CB -0.125 41.910 42.059 -0.040 0.000 1.009 131 L HN 0.065 nan 8.230 nan 0.000 0.447 132 R N 0.058 120.511 120.500 -0.078 0.000 2.784 132 R HA -0.085 4.244 4.340 -0.019 0.000 0.266 132 R C 1.382 177.630 176.300 -0.085 0.000 1.044 132 R CA -0.043 56.017 56.100 -0.067 0.000 1.151 132 R CB 0.233 30.512 30.300 -0.036 0.000 1.037 132 R HN -0.065 nan 8.270 nan 0.000 0.478 133 N N 0.797 119.429 118.700 -0.114 0.000 2.132 133 N HA -0.201 4.528 4.740 -0.019 0.000 0.191 133 N C 0.003 175.268 175.510 -0.409 0.000 1.015 133 N CA 1.707 54.599 53.050 -0.262 0.000 0.864 133 N CB 0.094 38.407 38.487 -0.290 0.000 1.006 133 N HN 0.480 nan 8.380 nan 0.000 0.430 134 F N -1.869 118.052 119.950 -0.049 0.000 2.805 134 F HA 0.447 4.962 4.527 -0.019 0.000 0.317 134 F C 1.627 177.398 175.800 -0.048 0.000 1.146 134 F CA -0.414 57.561 58.000 -0.042 0.000 1.265 134 F CB 0.616 39.592 39.000 -0.040 0.000 0.992 134 F HN -0.035 nan 8.300 nan 0.000 0.511 135 G N -0.521 108.313 108.800 0.057 0.000 2.985 135 G HA2 -0.001 3.947 3.960 -0.019 0.000 0.209 135 G HA3 -0.001 3.947 3.960 -0.019 0.000 0.209 135 G C 1.344 176.230 174.900 -0.023 0.000 1.165 135 G CA 0.282 45.382 45.100 0.001 0.000 0.776 135 G HN 0.266 nan 8.290 nan 0.000 0.541 136 M N -0.879 118.724 119.600 0.006 0.000 2.800 136 M HA 0.306 4.774 4.480 -0.019 0.000 0.257 136 M C 1.215 177.537 176.300 0.038 0.000 1.309 136 M CA 1.021 56.325 55.300 0.005 0.000 1.202 136 M CB 1.134 33.740 32.600 0.010 0.000 1.273 136 M HN 0.257 nan 8.290 nan 0.000 0.528 137 G N -0.483 108.360 108.800 0.072 0.000 2.510 137 G HA2 0.191 4.140 3.960 -0.019 0.000 0.277 137 G HA3 0.191 4.140 3.960 -0.019 0.000 0.277 137 G C -0.559 174.425 174.900 0.140 0.000 1.223 137 G CA -0.457 44.692 45.100 0.081 0.000 0.887 137 G HN -0.090 nan 8.290 nan 0.000 0.485 138 K N -0.131 120.335 120.400 0.110 0.000 2.167 138 K HA 0.166 4.475 4.320 -0.019 0.000 0.203 138 K C 1.494 178.216 176.600 0.203 0.000 1.052 138 K CA 0.319 56.686 56.287 0.133 0.000 0.956 138 K CB 0.029 32.568 32.500 0.065 0.000 0.735 138 K HN 0.317 nan 8.250 nan 0.000 0.451 139 R N 1.827 122.400 120.500 0.121 0.000 2.248 139 R HA 0.092 4.420 4.340 -0.019 0.000 0.328 139 R C -0.550 175.745 176.300 -0.009 0.000 1.067 139 R CA -0.056 56.086 56.100 0.070 0.000 0.924 139 R CB 0.471 30.788 30.300 0.028 0.000 1.013 139 R HN 0.161 nan 8.270 nan 0.000 0.454 140 S N 3.763 119.379 115.700 -0.141 0.000 2.579 140 S HA 0.065 4.524 4.470 -0.019 0.000 0.275 140 S C 1.540 175.957 174.600 -0.306 0.000 1.345 140 S CA -0.679 57.200 58.200 -0.535 0.000 1.031 140 S CB 0.856 63.511 63.200 -0.909 0.000 0.892 140 S HN 0.701 nan 8.310 nan 0.000 0.529 141 I N 1.047 121.428 120.570 -0.315 0.000 2.286 141 I HA -0.164 3.995 4.170 -0.019 0.000 0.248 141 I C 2.794 178.802 176.117 -0.181 0.000 1.115 141 I CA 1.704 62.889 61.300 -0.192 0.000 1.392 141 I CB -0.383 37.516 38.000 -0.169 0.000 1.065 141 I HN 0.931 nan 8.210 nan 0.000 0.418 142 E N 0.976 121.036 120.200 -0.232 0.000 2.171 142 E HA -0.333 4.006 4.350 -0.019 0.000 0.197 142 E C 1.682 178.204 176.600 -0.131 0.000 0.997 142 E CA 1.935 58.228 56.400 -0.177 0.000 0.810 142 E CB -0.016 29.573 29.700 -0.184 0.000 0.738 142 E HN 0.461 nan 8.360 nan 0.000 0.467 143 D N -0.302 120.018 120.400 -0.133 0.000 2.117 143 D HA -0.132 4.497 4.640 -0.019 0.000 0.198 143 D C 1.996 178.265 176.300 -0.052 0.000 0.982 143 D CA 1.256 55.210 54.000 -0.076 0.000 0.828 143 D CB 0.111 40.874 40.800 -0.060 0.000 0.967 143 D HN 0.126 nan 8.370 nan 0.000 0.464 144 R N -0.126 120.340 120.500 -0.057 0.000 2.096 144 R HA -0.081 4.248 4.340 -0.019 0.000 0.235 144 R C 2.384 178.676 176.300 -0.013 0.000 1.127 144 R CA 1.106 57.190 56.100 -0.026 0.000 0.968 144 R CB -0.441 29.844 30.300 -0.025 0.000 0.861 144 R HN 0.170 nan 8.270 nan 0.000 0.440 145 V N 1.580 121.459 119.914 -0.058 0.000 2.261 145 V HA -0.268 3.841 4.120 -0.019 0.000 0.246 145 V C 2.329 178.377 176.094 -0.076 0.000 1.047 145 V CA 1.831 64.069 62.300 -0.104 0.000 1.015 145 V CB -0.644 31.055 31.823 -0.207 0.000 0.642 145 V HN 0.340 nan 8.190 nan 0.000 0.446 146 Q N -0.226 119.538 119.800 -0.061 0.000 2.112 146 Q HA -0.289 4.040 4.340 -0.019 0.000 0.206 146 Q C 2.359 178.400 176.000 0.068 0.000 0.987 146 Q CA 2.024 57.824 55.803 -0.005 0.000 0.858 146 Q CB -0.287 28.446 28.738 -0.008 0.000 0.905 146 Q HN 0.737 nan 8.270 nan 0.000 0.420 147 E N 0.827 121.058 120.200 0.053 0.000 2.058 147 E HA -0.263 4.075 4.350 -0.019 0.000 0.194 147 E C 1.753 178.447 176.600 0.156 0.000 0.997 147 E CA 1.217 57.666 56.400 0.081 0.000 0.801 147 E CB 0.126 29.849 29.700 0.038 0.000 0.746 147 E HN 0.182 nan 8.360 nan 0.000 0.450 148 E N 0.162 120.463 120.200 0.169 0.000 2.150 148 E HA -0.069 4.269 4.350 -0.019 0.000 0.193 148 E C 1.640 178.493 176.600 0.423 0.000 0.985 148 E CA 1.152 57.719 56.400 0.278 0.000 0.814 148 E CB -0.242 29.665 29.700 0.344 0.000 0.752 148 E HN 0.355 nan 8.360 nan 0.000 0.466 149 A N -0.243 122.822 122.820 0.409 0.000 2.121 149 A HA -0.185 4.124 4.320 -0.019 0.000 0.218 149 A C 2.041 179.803 177.584 0.297 0.000 1.154 149 A CA 1.575 53.885 52.037 0.455 0.000 0.679 149 A CB -0.664 18.458 19.000 0.204 0.000 0.795 149 A HN 0.434 nan 8.150 nan 0.000 0.458 150 H N -1.347 117.817 119.070 0.158 0.000 2.451 150 H HA -0.042 4.502 4.556 -0.019 0.000 0.294 150 H C 1.770 177.165 175.328 0.111 0.000 1.028 150 H CA 1.441 57.550 56.048 0.103 0.000 1.349 150 H CB 0.086 29.885 29.762 0.061 0.000 1.444 150 H HN 0.456 nan 8.280 nan 0.000 0.538 151 C N 1.095 120.469 119.300 0.124 0.000 2.419 151 C HA -0.089 4.360 4.460 -0.019 0.000 0.283 151 C C 2.782 177.884 174.990 0.187 0.000 1.373 151 C CA 0.468 59.527 59.018 0.069 0.000 1.781 151 C CB -1.115 26.619 27.740 -0.010 0.000 1.886 151 C HN 0.466 nan 8.230 nan 0.000 0.520 152 L N 0.899 122.230 121.223 0.179 0.000 1.993 152 L HA -0.003 4.325 4.340 -0.019 0.000 0.206 152 L C 2.529 179.416 176.870 0.028 0.000 1.074 152 L CA 1.830 56.732 54.840 0.103 0.000 0.746 152 L CB -0.867 41.192 42.059 0.000 0.000 0.896 152 L HN 0.142 nan 8.230 nan 0.000 0.435 153 V N 0.251 120.180 119.914 0.026 0.000 2.660 153 V HA -0.302 3.807 4.120 -0.019 0.000 0.257 153 V C 2.604 178.723 176.094 0.042 0.000 1.088 153 V CA 1.965 64.310 62.300 0.075 0.000 1.106 153 V CB -0.795 31.017 31.823 -0.019 0.000 0.686 153 V HN 0.594 nan 8.190 nan 0.000 0.481 154 E N -0.265 119.892 120.200 -0.072 0.000 2.072 154 E HA -0.196 4.143 4.350 -0.019 0.000 0.190 154 E C 2.199 178.830 176.600 0.052 0.000 0.982 154 E CA 0.877 57.248 56.400 -0.047 0.000 0.803 154 E CB 0.077 29.715 29.700 -0.102 0.000 0.755 154 E HN 0.531 nan 8.360 nan 0.000 0.453 155 E N 0.661 120.907 120.200 0.077 0.000 2.150 155 E HA -0.118 4.221 4.350 -0.019 0.000 0.193 155 E C 2.194 178.795 176.600 0.002 0.000 0.985 155 E CA 0.531 56.978 56.400 0.078 0.000 0.814 155 E CB -0.109 29.650 29.700 0.099 0.000 0.752 155 E HN 0.384 nan 8.360 nan 0.000 0.466 156 L N 0.171 121.354 121.223 -0.067 0.000 2.456 156 L HA -0.058 4.271 4.340 -0.019 0.000 0.224 156 L C 2.351 179.186 176.870 -0.059 0.000 1.148 156 L CA 0.609 55.299 54.840 -0.251 0.000 0.825 156 L CB -0.193 41.467 42.059 -0.664 0.000 0.937 156 L HN -0.002 nan 8.230 nan 0.000 0.450 157 R N 0.155 120.735 120.500 0.133 0.000 2.140 157 R HA -0.013 4.315 4.340 -0.019 0.000 0.213 157 R C 1.950 178.314 176.300 0.106 0.000 1.059 157 R CA 0.387 56.599 56.100 0.186 0.000 1.000 157 R CB 0.039 30.455 30.300 0.194 0.000 0.910 157 R HN 0.274 nan 8.270 nan 0.000 0.455 158 K N 0.472 120.920 120.400 0.079 0.000 2.442 158 K HA -0.080 4.228 4.320 -0.019 0.000 0.198 158 K C 1.828 178.462 176.600 0.056 0.000 1.044 158 K CA 1.579 57.906 56.287 0.067 0.000 0.948 158 K CB 0.002 32.544 32.500 0.070 0.000 0.762 158 K HN 0.298 nan 8.250 nan 0.000 0.472 159 T N -1.539 113.047 114.554 0.053 0.000 2.942 159 T HA -0.036 4.302 4.350 -0.019 0.000 0.265 159 T C 0.449 175.178 174.700 0.049 0.000 1.062 159 T CA 0.281 62.410 62.100 0.050 0.000 1.139 159 T CB -0.163 68.746 68.868 0.069 0.000 0.883 159 T HN 0.147 nan 8.240 nan 0.000 0.468 160 K N 0.626 121.064 120.400 0.064 0.000 3.224 160 K HA -0.035 4.274 4.320 -0.019 0.000 0.270 160 K C 0.676 177.313 176.600 0.061 0.000 1.165 160 K CA 0.205 56.532 56.287 0.067 0.000 0.801 160 K CB -2.166 30.365 32.500 0.051 0.000 1.286 160 K HN 0.869 nan 8.250 nan 0.000 0.500 161 A N -1.320 121.541 122.820 0.068 0.000 3.132 161 A HA -0.297 4.011 4.320 -0.019 0.000 0.266 161 A C 0.638 178.228 177.584 0.009 0.000 1.216 161 A CA 1.717 53.783 52.037 0.048 0.000 0.985 161 A CB -1.606 17.433 19.000 0.065 0.000 1.102 161 A HN 0.978 nan 8.150 nan 0.000 0.833 162 S N 1.067 116.774 115.700 0.013 0.000 2.580 162 S HA 0.527 4.986 4.470 -0.019 0.000 0.274 162 S C -1.763 172.819 174.600 -0.031 0.000 1.329 162 S CA -0.697 57.500 58.200 -0.006 0.000 1.036 162 S CB 0.649 63.853 63.200 0.006 0.000 0.919 162 S HN 0.481 nan 8.310 nan 0.000 0.515 163 P HA 0.317 nan 4.420 nan 0.000 0.271 163 P C -0.505 176.758 177.300 -0.060 0.000 1.218 163 P CA -0.366 62.687 63.100 -0.078 0.000 0.780 163 P CB -0.025 31.636 31.700 -0.065 0.000 0.901 164 C N -0.408 118.843 119.300 -0.081 0.000 3.275 164 C HA 0.491 4.940 4.460 -0.019 0.000 0.340 164 C C -1.077 173.848 174.990 -0.109 0.000 1.366 164 C CA -0.840 58.141 59.018 -0.062 0.000 1.227 164 C CB 0.919 28.654 27.740 -0.009 0.000 1.512 164 C HN 0.472 nan 8.230 nan 0.000 0.461 165 D N 2.213 122.544 120.400 -0.114 0.000 2.456 165 D HA 0.450 5.079 4.640 -0.019 0.000 0.219 165 D C -0.622 175.602 176.300 -0.127 0.000 1.126 165 D CA -1.812 52.073 54.000 -0.192 0.000 0.890 165 D CB 1.050 41.753 40.800 -0.162 0.000 1.025 165 D HN 0.509 nan 8.370 nan 0.000 0.511 166 P HA -0.138 nan 4.420 nan 0.000 0.226 166 P C 1.090 178.353 177.300 -0.063 0.000 1.146 166 P CA 0.596 63.678 63.100 -0.029 0.000 0.773 166 P CB 0.217 31.963 31.700 0.077 0.000 0.772 167 T N -0.082 114.411 114.554 -0.101 0.000 2.680 167 T HA -0.236 4.103 4.350 -0.019 0.000 0.268 167 T C 1.357 176.047 174.700 -0.017 0.000 1.033 167 T CA 1.592 63.656 62.100 -0.061 0.000 1.152 167 T CB -0.871 67.965 68.868 -0.053 0.000 0.859 167 T HN 0.082 nan 8.240 nan 0.000 0.452 168 F N 1.045 120.914 119.950 -0.137 0.000 2.022 168 F HA 0.032 4.548 4.527 -0.019 0.000 0.293 168 F C 2.136 177.819 175.800 -0.195 0.000 1.142 168 F CA 0.613 58.521 58.000 -0.153 0.000 1.177 168 F CB -0.811 38.103 39.000 -0.143 0.000 0.982 168 F HN -0.003 nan 8.300 nan 0.000 0.473 169 I N 0.280 120.710 120.570 -0.234 0.000 2.208 169 I HA -0.256 3.903 4.170 -0.019 0.000 0.245 169 I C 2.008 177.869 176.117 -0.425 0.000 1.097 169 I CA 1.296 62.337 61.300 -0.432 0.000 1.363 169 I CB -0.764 37.082 38.000 -0.257 0.000 1.051 169 I HN 0.185 nan 8.210 nan 0.000 0.413 170 L N 0.175 121.231 121.223 -0.278 0.000 2.549 170 L HA -0.010 4.319 4.340 -0.019 0.000 0.229 170 L C 2.122 178.838 176.870 -0.257 0.000 1.158 170 L CA 1.511 56.200 54.840 -0.252 0.000 0.842 170 L CB -1.013 40.966 42.059 -0.133 0.000 0.952 170 L HN 0.344 nan 8.230 nan 0.000 0.452 171 G N -3.284 105.333 108.800 -0.304 0.000 2.709 171 G HA2 -0.090 3.859 3.960 -0.019 0.000 0.208 171 G HA3 -0.090 3.859 3.960 -0.019 0.000 0.208 171 G C 1.454 176.189 174.900 -0.274 0.000 1.129 171 G CA 0.479 45.420 45.100 -0.264 0.000 0.793 171 G HN 0.387 nan 8.290 nan 0.000 0.524 172 C N 1.082 120.130 119.300 -0.419 0.000 2.446 172 C HA 0.282 4.731 4.460 -0.019 0.000 0.279 172 C C 3.364 178.416 174.990 0.103 0.000 1.366 172 C CA 0.729 59.618 59.018 -0.215 0.000 1.763 172 C CB -0.615 26.776 27.740 -0.580 0.000 1.929 172 C HN 0.545 nan 8.230 nan 0.000 0.509 173 A N 1.958 124.715 122.820 -0.105 0.000 1.835 173 A HA -0.089 4.219 4.320 -0.019 0.000 0.215 173 A C 0.173 177.826 177.584 0.116 0.000 1.199 173 A CA 1.781 53.801 52.037 -0.028 0.000 0.615 173 A CB -1.933 16.761 19.000 -0.510 0.000 0.838 173 A HN 0.405 nan 8.150 nan 0.000 0.444 174 P HA -0.128 nan 4.420 nan 0.000 0.216 174 P C 1.769 179.156 177.300 0.144 0.000 1.150 174 P CA 1.279 64.462 63.100 0.137 0.000 0.837 174 P CB -0.235 31.498 31.700 0.055 0.000 0.786 175 C N -1.171 118.234 119.300 0.176 0.000 2.435 175 C HA -0.026 4.423 4.460 -0.019 0.000 0.279 175 C C 2.525 177.755 174.990 0.399 0.000 1.321 175 C CA 0.961 60.160 59.018 0.303 0.000 1.752 175 C CB -2.071 25.873 27.740 0.340 0.000 1.959 175 C HN 0.166 nan 8.230 nan 0.000 0.500 176 N N 0.519 119.432 118.700 0.355 0.000 2.135 176 N HA -0.073 4.655 4.740 -0.019 0.000 0.186 176 N C 1.771 177.402 175.510 0.201 0.000 1.027 176 N CA 1.543 54.749 53.050 0.260 0.000 0.849 176 N CB -0.527 38.089 38.487 0.215 0.000 1.002 176 N HN 0.362 nan 8.380 nan 0.000 0.425 177 V N 1.296 121.323 119.914 0.188 0.000 2.278 177 V HA -0.267 3.842 4.120 -0.019 0.000 0.251 177 V C 2.152 178.253 176.094 0.012 0.000 1.062 177 V CA 1.434 63.801 62.300 0.111 0.000 1.038 177 V CB -0.442 31.462 31.823 0.135 0.000 0.646 177 V HN 0.192 nan 8.190 nan 0.000 0.447 178 I N -0.733 119.809 120.570 -0.047 0.000 2.179 178 I HA -0.218 3.941 4.170 -0.019 0.000 0.242 178 I C 2.568 178.527 176.117 -0.264 0.000 1.088 178 I CA 1.555 62.680 61.300 -0.291 0.000 1.357 178 I CB -0.874 36.759 38.000 -0.613 0.000 1.051 178 I HN 0.313 nan 8.210 nan 0.000 0.409 179 C N -0.682 118.655 119.300 0.062 0.000 2.398 179 C HA -0.210 4.239 4.460 -0.019 0.000 0.276 179 C C 3.217 178.298 174.990 0.152 0.000 1.222 179 C CA 1.593 60.790 59.018 0.298 0.000 1.746 179 C CB -1.222 26.910 27.740 0.653 0.000 2.039 179 C HN 0.592 nan 8.230 nan 0.000 0.470 180 S N -0.423 115.345 115.700 0.114 0.000 2.474 180 S HA -0.069 4.389 4.470 -0.019 0.000 0.235 180 S C 1.461 176.085 174.600 0.040 0.000 0.997 180 S CA 1.154 59.400 58.200 0.077 0.000 0.949 180 S CB -0.078 63.154 63.200 0.054 0.000 0.766 180 S HN 0.431 nan 8.310 nan 0.000 0.517 181 V N 0.464 120.365 119.914 -0.022 0.000 3.650 181 V HA 0.216 4.324 4.120 -0.019 0.000 0.271 181 V C 1.402 177.490 176.094 -0.010 0.000 1.281 181 V CA 0.604 62.886 62.300 -0.030 0.000 1.120 181 V CB 1.000 32.770 31.823 -0.088 0.000 0.856 181 V HN 0.441 nan 8.190 nan 0.000 0.443 182 V N -2.117 117.730 119.914 -0.111 0.000 3.473 182 V HA 0.215 4.324 4.120 -0.019 0.000 0.253 182 V C 1.457 177.518 176.094 -0.055 0.000 1.340 182 V CA 0.621 62.812 62.300 -0.181 0.000 1.103 182 V CB 0.359 31.822 31.823 -0.599 0.000 0.881 182 V HN 0.428 nan 8.190 nan 0.000 0.451 183 F N -0.205 119.867 119.950 0.204 0.000 2.602 183 F HA 0.321 4.837 4.527 -0.019 0.000 0.284 183 F C 1.830 177.789 175.800 0.265 0.000 1.111 183 F CA 0.452 58.604 58.000 0.253 0.000 1.405 183 F CB 0.039 39.181 39.000 0.236 0.000 1.121 183 F HN 0.141 nan 8.300 nan 0.000 0.603 184 Q N 0.932 120.912 119.800 0.299 0.000 2.411 184 Q HA -0.252 4.077 4.340 -0.019 0.000 0.176 184 Q C -0.920 175.134 176.000 0.090 0.000 0.587 184 Q CA 1.017 56.917 55.803 0.163 0.000 1.335 184 Q CB -1.430 27.396 28.738 0.148 0.000 1.086 184 Q HN 0.509 nan 8.270 nan 0.000 1.017 185 K N 0.340 120.790 120.400 0.083 0.000 2.507 185 K HA 0.646 4.955 4.320 -0.019 0.000 0.251 185 K C -0.419 176.115 176.600 -0.110 0.000 0.943 185 K CA -0.664 55.602 56.287 -0.035 0.000 0.794 185 K CB 1.337 33.783 32.500 -0.090 0.000 1.188 185 K HN 0.285 nan 8.250 nan 0.000 0.428 186 R N 1.091 121.525 120.500 -0.109 0.000 2.652 186 R HA 0.514 4.843 4.340 -0.019 0.000 0.271 186 R C -0.826 175.299 176.300 -0.292 0.000 1.129 186 R CA -0.550 55.482 56.100 -0.113 0.000 1.200 186 R CB 0.274 30.534 30.300 -0.066 0.000 1.146 186 R HN 0.430 nan 8.270 nan 0.000 0.581 187 F N -1.112 118.674 119.950 -0.272 0.000 2.509 187 F HA 0.278 4.794 4.527 -0.018 0.000 0.334 187 F C 0.254 175.856 175.800 -0.330 0.000 1.060 187 F CA -0.690 57.135 58.000 -0.291 0.000 0.997 187 F CB 1.268 39.988 39.000 -0.466 0.000 1.271 187 F HN 0.607 nan 8.300 nan 0.000 0.488 188 D N -0.926 119.515 120.400 0.068 0.000 2.253 188 D HA 0.169 4.798 4.640 -0.019 0.000 0.249 188 D C -0.473 175.984 176.300 0.262 0.000 1.049 188 D CA -0.257 53.751 54.000 0.014 0.000 0.929 188 D CB 0.561 41.400 40.800 0.064 0.000 1.176 188 D HN 0.457 nan 8.370 nan 0.000 0.437 189 Y N 2.112 122.559 120.300 0.245 0.000 2.687 189 Y HA 0.060 4.598 4.550 -0.019 0.000 0.367 189 Y C 0.992 177.064 175.900 0.285 0.000 1.119 189 Y CA -0.316 57.989 58.100 0.341 0.000 1.459 189 Y CB 0.094 38.688 38.460 0.224 0.000 1.399 189 Y HN 0.165 nan 8.280 nan 0.000 0.481 190 K N -1.480 119.165 120.400 0.409 0.000 2.648 190 K HA -0.019 4.289 4.320 -0.019 0.000 0.194 190 K C -0.257 176.497 176.600 0.256 0.000 1.721 190 K CA 0.014 56.466 56.287 0.275 0.000 1.183 190 K CB 0.037 32.654 32.500 0.194 0.000 1.618 190 K HN 0.162 nan 8.250 nan 0.000 0.595 191 D N 3.246 123.829 120.400 0.305 0.000 2.660 191 D HA -0.123 4.506 4.640 -0.019 0.000 0.253 191 D C 1.132 177.584 176.300 0.254 0.000 1.256 191 D CA 0.671 54.847 54.000 0.295 0.000 0.914 191 D CB 1.027 42.076 40.800 0.415 0.000 1.137 191 D HN -0.005 nan 8.370 nan 0.000 0.542 192 Q N 3.854 123.755 119.800 0.169 0.000 2.173 192 Q HA -0.230 4.099 4.340 -0.019 0.000 0.208 192 Q C 1.454 177.499 176.000 0.074 0.000 0.989 192 Q CA 1.875 57.742 55.803 0.106 0.000 0.872 192 Q CB -0.282 28.504 28.738 0.080 0.000 0.909 192 Q HN 0.649 nan 8.270 nan 0.000 0.420 193 N N -1.600 117.164 118.700 0.107 0.000 2.494 193 N HA -0.082 4.647 4.740 -0.019 0.000 0.182 193 N C 0.986 176.412 175.510 -0.141 0.000 1.076 193 N CA 0.274 53.336 53.050 0.019 0.000 0.908 193 N CB -0.041 38.540 38.487 0.156 0.000 0.967 193 N HN 0.212 nan 8.380 nan 0.000 0.449 194 F N 1.226 121.016 119.950 -0.267 0.000 2.123 194 F HA 0.034 4.550 4.527 -0.018 0.000 0.289 194 F C 1.752 177.433 175.800 -0.197 0.000 1.099 194 F CA 0.727 58.481 58.000 -0.409 0.000 1.234 194 F CB -0.628 38.271 39.000 -0.168 0.000 1.034 194 F HN -0.086 nan 8.300 nan 0.000 0.479 195 L N 0.244 121.368 121.223 -0.165 0.000 2.013 195 L HA -0.240 4.089 4.340 -0.019 0.000 0.212 195 L C 2.623 179.390 176.870 -0.170 0.000 1.073 195 L CA 2.390 57.117 54.840 -0.188 0.000 0.753 195 L CB -2.283 39.774 42.059 -0.005 0.000 0.890 195 L HN 0.300 nan 8.230 nan 0.000 0.432 196 T N -0.216 114.255 114.554 -0.137 0.000 2.674 196 T HA -0.166 4.173 4.350 -0.019 0.000 0.265 196 T C 1.939 176.504 174.700 -0.224 0.000 1.039 196 T CA 1.117 63.127 62.100 -0.149 0.000 1.150 196 T CB -0.063 68.733 68.868 -0.120 0.000 0.864 196 T HN 0.151 nan 8.240 nan 0.000 0.427 197 L N 0.348 121.388 121.223 -0.304 0.000 2.083 197 L HA 0.035 4.363 4.340 -0.019 0.000 0.209 197 L C 2.370 179.056 176.870 -0.306 0.000 1.083 197 L CA 2.016 56.614 54.840 -0.402 0.000 0.752 197 L CB -0.945 40.787 42.059 -0.545 0.000 0.899 197 L HN 0.497 nan 8.230 nan 0.000 0.433 198 M N -0.067 119.381 119.600 -0.254 0.000 2.132 198 M HA -0.225 4.244 4.480 -0.019 0.000 0.263 198 M C 1.890 178.137 176.300 -0.087 0.000 1.065 198 M CA 1.686 56.886 55.300 -0.167 0.000 1.122 198 M CB -0.047 32.277 32.600 -0.461 0.000 1.365 198 M HN 0.075 nan 8.290 nan 0.000 0.411 199 K N -0.674 119.656 120.400 -0.117 0.000 2.555 199 K HA -0.112 4.197 4.320 -0.019 0.000 0.193 199 K C 1.741 178.296 176.600 -0.076 0.000 1.032 199 K CA 0.517 56.770 56.287 -0.057 0.000 1.004 199 K CB -0.032 32.439 32.500 -0.049 0.000 0.804 199 K HN 0.316 nan 8.250 nan 0.000 0.496 200 R N -0.454 119.949 120.500 -0.161 0.000 2.254 200 R HA 0.109 4.438 4.340 -0.019 0.000 0.195 200 R C 1.245 177.398 176.300 -0.246 0.000 0.957 200 R CA 0.492 56.451 56.100 -0.236 0.000 1.024 200 R CB 0.187 30.265 30.300 -0.370 0.000 0.952 200 R HN 0.099 nan 8.270 nan 0.000 0.484 201 F N -0.450 119.462 119.950 -0.063 0.000 2.317 201 F HA 0.093 4.609 4.527 -0.019 0.000 0.290 201 F C 1.930 177.759 175.800 0.049 0.000 1.075 201 F CA 0.655 58.645 58.000 -0.016 0.000 1.380 201 F CB -0.005 38.970 39.000 -0.042 0.000 1.093 201 F HN 0.091 nan 8.300 nan 0.000 0.524 202 N N 0.375 119.203 118.700 0.213 0.000 2.364 202 N HA -0.166 4.563 4.740 -0.019 0.000 0.183 202 N C 1.456 177.077 175.510 0.185 0.000 1.022 202 N CA 1.195 54.360 53.050 0.191 0.000 0.883 202 N CB 0.026 38.578 38.487 0.108 0.000 0.965 202 N HN 0.319 nan 8.380 nan 0.000 0.438 203 E N -0.647 119.618 120.200 0.108 0.000 2.060 203 E HA -0.016 4.323 4.350 -0.019 0.000 0.189 203 E C 1.206 177.847 176.600 0.069 0.000 0.974 203 E CA 0.662 57.099 56.400 0.061 0.000 0.808 203 E CB -0.020 29.685 29.700 0.007 0.000 0.768 203 E HN 0.379 nan 8.360 nan 0.000 0.453 204 N N 0.288 119.042 118.700 0.090 0.000 2.453 204 N HA -0.110 4.619 4.740 -0.019 0.000 0.183 204 N C 1.211 176.804 175.510 0.138 0.000 1.041 204 N CA 0.594 53.698 53.050 0.090 0.000 0.900 204 N CB -0.092 38.453 38.487 0.098 0.000 0.961 204 N HN 0.139 nan 8.380 nan 0.000 0.443 205 F N 0.990 120.978 119.950 0.063 0.000 2.123 205 F HA 0.040 4.557 4.527 -0.017 0.000 0.289 205 F C 2.436 178.257 175.800 0.035 0.000 1.099 205 F CA 0.647 58.681 58.000 0.056 0.000 1.234 205 F CB -0.068 38.971 39.000 0.065 0.000 1.034 205 F HN -0.188 nan 8.300 nan 0.000 0.479 206 R N 1.171 121.634 120.500 -0.062 0.000 2.133 206 R HA -0.198 4.131 4.340 -0.019 0.000 0.247 206 R C 1.953 178.150 176.300 -0.172 0.000 1.151 206 R CA 2.276 58.288 56.100 -0.147 0.000 0.971 206 R CB -0.992 29.315 30.300 0.012 0.000 0.866 206 R HN 0.557 nan 8.270 nan 0.000 0.447 207 I N -0.547 119.958 120.570 -0.108 0.000 2.277 207 I HA -0.195 3.964 4.170 -0.019 0.000 0.243 207 I C 1.705 177.749 176.117 -0.122 0.000 1.094 207 I CA 0.900 62.141 61.300 -0.098 0.000 1.393 207 I CB -0.129 37.831 38.000 -0.066 0.000 1.078 207 I HN 0.121 nan 8.210 nan 0.000 0.417 208 L N 0.426 121.572 121.223 -0.128 0.000 2.551 208 L HA -0.091 4.238 4.340 -0.019 0.000 0.228 208 L C 1.967 178.737 176.870 -0.167 0.000 1.153 208 L CA 0.778 55.552 54.840 -0.110 0.000 0.851 208 L CB -0.726 41.307 42.059 -0.044 0.000 0.959 208 L HN 0.361 nan 8.230 nan 0.000 0.451 209 N N -0.549 117.971 118.700 -0.301 0.000 2.251 209 N HA -0.099 4.630 4.740 -0.019 0.000 0.181 209 N C 1.031 176.447 175.510 -0.157 0.000 1.019 209 N CA 0.036 52.891 53.050 -0.324 0.000 0.862 209 N CB 0.347 38.501 38.487 -0.554 0.000 0.992 209 N HN 0.103 nan 8.380 nan 0.000 0.429 210 S N 1.056 116.685 115.700 -0.118 0.000 2.643 210 S HA -0.037 4.422 4.470 -0.019 0.000 0.310 210 S C -1.737 172.856 174.600 -0.012 0.000 1.253 210 S CA -1.016 57.165 58.200 -0.032 0.000 1.047 210 S CB 0.789 64.011 63.200 0.037 0.000 0.767 210 S HN 0.115 nan 8.310 nan 0.000 0.498 211 P HA -0.018 nan 4.420 nan 0.000 0.222 211 P C 0.667 177.939 177.300 -0.047 0.000 1.147 211 P CA 1.012 64.064 63.100 -0.081 0.000 0.790 211 P CB -0.013 31.578 31.700 -0.182 0.000 0.780 212 W N 0.384 121.656 121.300 -0.047 0.000 2.350 212 W HA -0.149 4.492 4.660 -0.031 0.000 0.289 212 W C 2.092 178.583 176.519 -0.046 0.000 1.215 212 W CA 0.495 57.804 57.345 -0.061 0.000 1.236 212 W CB -0.791 28.532 29.460 -0.228 0.000 1.130 212 W HN 0.006 nan 8.180 nan 0.000 0.541 213 I N -1.697 118.966 120.570 0.155 0.000 2.493 213 I HA -0.259 3.900 4.170 -0.019 0.000 0.254 213 I C 2.160 178.343 176.117 0.110 0.000 1.160 213 I CA 1.327 62.681 61.300 0.089 0.000 1.445 213 I CB -0.736 37.273 38.000 0.015 0.000 1.086 213 I HN -0.054 nan 8.210 nan 0.000 0.433 214 Q N 1.323 121.192 119.800 0.115 0.000 2.046 214 Q HA -0.132 4.196 4.340 -0.019 0.000 0.200 214 Q C 2.653 178.801 176.000 0.246 0.000 0.975 214 Q CA 2.037 57.922 55.803 0.137 0.000 0.836 214 Q CB -0.915 27.923 28.738 0.167 0.000 0.896 214 Q HN 0.654 nan 8.270 nan 0.000 0.428 215 V N -0.116 119.977 119.914 0.299 0.000 2.323 215 V HA -0.193 3.916 4.120 -0.019 0.000 0.244 215 V C 2.202 178.601 176.094 0.508 0.000 1.041 215 V CA 1.786 64.359 62.300 0.455 0.000 1.025 215 V CB -0.647 31.392 31.823 0.359 0.000 0.656 215 V HN 0.382 nan 8.190 nan 0.000 0.451 216 C N 1.051 120.600 119.300 0.415 0.000 2.413 216 C HA -0.113 4.336 4.460 -0.019 0.000 0.277 216 C C 2.655 177.780 174.990 0.226 0.000 1.265 216 C CA 1.503 60.734 59.018 0.354 0.000 1.752 216 C CB -1.842 26.072 27.740 0.289 0.000 1.998 216 C HN 0.719 nan 8.230 nan 0.000 0.489 217 N N 1.255 120.042 118.700 0.146 0.000 2.166 217 N HA -0.094 4.635 4.740 -0.019 0.000 0.186 217 N C 1.131 176.638 175.510 -0.005 0.000 1.019 217 N CA 1.389 54.469 53.050 0.051 0.000 0.856 217 N CB -0.548 37.939 38.487 0.001 0.000 0.993 217 N HN 0.636 nan 8.380 nan 0.000 0.426 218 N N -1.051 117.623 118.700 -0.044 0.000 2.412 218 N HA 0.096 4.825 4.740 -0.019 0.000 0.184 218 N C -0.624 174.514 175.510 -0.620 0.000 1.101 218 N CA 0.226 53.093 53.050 -0.306 0.000 0.881 218 N CB 0.331 38.636 38.487 -0.304 0.000 0.969 218 N HN 0.100 nan 8.380 nan 0.000 0.459 219 F N -0.931 119.107 119.950 0.146 0.000 2.710 219 F HA 0.358 4.888 4.527 0.005 0.000 0.345 219 F C -1.951 173.926 175.800 0.128 0.000 1.362 219 F CA -1.927 56.153 58.000 0.133 0.000 1.175 219 F CB 1.866 40.955 39.000 0.148 0.000 1.561 219 F HN -0.181 nan 8.300 nan 0.000 0.593 220 P HA -0.256 nan 4.420 nan 0.000 0.217 220 P C 1.766 179.166 177.300 0.166 0.000 1.158 220 P CA 1.508 64.700 63.100 0.154 0.000 0.887 220 P CB 0.232 31.993 31.700 0.102 0.000 0.792 221 L N -2.384 118.936 121.223 0.161 0.000 2.263 221 L HA -0.168 4.161 4.340 -0.019 0.000 0.216 221 L C 2.173 179.116 176.870 0.121 0.000 1.111 221 L CA 1.471 56.385 54.840 0.123 0.000 0.773 221 L CB -1.408 40.715 42.059 0.108 0.000 0.906 221 L HN -0.019 nan 8.230 nan 0.000 0.439 222 L N -1.181 120.152 121.223 0.183 0.000 2.478 222 L HA -0.077 4.252 4.340 -0.019 0.000 0.223 222 L C 2.116 179.110 176.870 0.207 0.000 1.140 222 L CA 0.642 55.589 54.840 0.178 0.000 0.842 222 L CB -0.309 41.929 42.059 0.298 0.000 0.953 222 L HN 0.181 nan 8.230 nan 0.000 0.452 223 I N -0.585 120.122 120.570 0.229 0.000 2.286 223 I HA -0.269 3.889 4.170 -0.019 0.000 0.248 223 I C 2.162 178.401 176.117 0.203 0.000 1.115 223 I CA 1.133 62.601 61.300 0.280 0.000 1.392 223 I CB -1.007 37.136 38.000 0.238 0.000 1.065 223 I HN 0.307 nan 8.210 nan 0.000 0.418 224 D N 0.870 121.324 120.400 0.089 0.000 2.221 224 D HA -0.172 4.457 4.640 -0.019 0.000 0.204 224 D C 1.974 178.217 176.300 -0.096 0.000 0.982 224 D CA 0.919 54.922 54.000 0.006 0.000 0.857 224 D CB 0.005 40.799 40.800 -0.010 0.000 0.934 224 D HN 0.318 nan 8.370 nan 0.000 0.475 225 C N -0.203 118.962 119.300 -0.225 0.000 2.511 225 C HA 0.068 4.517 4.460 -0.019 0.000 0.277 225 C C 0.271 174.741 174.990 -0.867 0.000 1.451 225 C CA -0.269 58.412 59.018 -0.561 0.000 1.735 225 C CB -1.794 25.498 27.740 -0.747 0.000 1.704 225 C HN 0.110 nan 8.230 nan 0.000 0.571 226 F N 0.137 120.043 119.950 -0.073 0.000 2.660 226 F HA 0.324 4.841 4.527 -0.017 0.000 0.352 226 F C -1.968 173.829 175.800 -0.004 0.000 1.257 226 F CA -1.925 56.030 58.000 -0.074 0.000 1.200 226 F CB 0.200 39.140 39.000 -0.099 0.000 1.473 226 F HN -0.039 nan 8.300 nan 0.000 0.561 227 P HA 0.017 nan 4.420 nan 0.000 0.216 227 P C 1.976 179.319 177.300 0.072 0.000 1.156 227 P CA 1.136 64.262 63.100 0.043 0.000 0.855 227 P CB 0.363 32.049 31.700 -0.023 0.000 0.786 228 G N -0.785 108.050 108.800 0.059 0.000 2.442 228 G HA2 -0.238 3.711 3.960 -0.019 0.000 0.219 228 G HA3 -0.238 3.711 3.960 -0.019 0.000 0.219 228 G C 1.427 176.367 174.900 0.067 0.000 1.141 228 G CA 1.565 46.695 45.100 0.049 0.000 0.763 228 G HN 0.198 nan 8.290 nan 0.000 0.554 229 T N -0.506 114.104 114.554 0.093 0.000 2.851 229 T HA -0.032 4.307 4.350 -0.019 0.000 0.262 229 T C 2.052 176.805 174.700 0.087 0.000 1.043 229 T CA 1.005 63.138 62.100 0.055 0.000 1.140 229 T CB -0.327 68.535 68.868 -0.009 0.000 0.872 229 T HN 0.379 nan 8.240 nan 0.000 0.446 230 H N 2.159 121.250 119.070 0.034 0.000 2.319 230 H HA -0.028 4.516 4.556 -0.020 0.000 0.297 230 H C 2.074 177.412 175.328 0.016 0.000 1.097 230 H CA 1.636 57.703 56.048 0.031 0.000 1.285 230 H CB -0.531 29.263 29.762 0.053 0.000 1.368 230 H HN 0.372 nan 8.280 nan 0.000 0.495 231 N N -0.041 118.813 118.700 0.257 0.000 2.084 231 N HA -0.156 4.573 4.740 -0.019 0.000 0.190 231 N C 1.928 177.489 175.510 0.086 0.000 1.030 231 N CA 0.972 54.112 53.050 0.150 0.000 0.849 231 N CB 0.024 38.550 38.487 0.065 0.000 1.012 231 N HN 0.117 nan 8.380 nan 0.000 0.423 232 K N 1.358 121.791 120.400 0.054 0.000 2.152 232 K HA -0.058 4.250 4.320 -0.019 0.000 0.206 232 K C 1.710 178.313 176.600 0.006 0.000 1.048 232 K CA 0.844 57.142 56.287 0.018 0.000 0.933 232 K CB -0.411 32.093 32.500 0.005 0.000 0.721 232 K HN -0.006 nan 8.250 nan 0.000 0.447 233 V N 0.457 120.377 119.914 0.009 0.000 2.346 233 V HA -0.152 3.956 4.120 -0.019 0.000 0.244 233 V C 2.312 178.402 176.094 -0.007 0.000 1.037 233 V CA 1.389 63.679 62.300 -0.017 0.000 1.029 233 V CB -0.365 31.423 31.823 -0.058 0.000 0.663 233 V HN 0.252 nan 8.190 nan 0.000 0.454 234 L N -0.330 120.910 121.223 0.027 0.000 2.042 234 L HA -0.227 4.101 4.340 -0.019 0.000 0.210 234 L C 2.660 179.547 176.870 0.029 0.000 1.076 234 L CA 1.847 56.715 54.840 0.047 0.000 0.749 234 L CB -0.506 41.630 42.059 0.127 0.000 0.893 234 L HN 0.352 nan 8.230 nan 0.000 0.432 235 K N -0.157 120.256 120.400 0.023 0.000 2.026 235 K HA -0.156 4.153 4.320 -0.019 0.000 0.208 235 K C 1.777 178.362 176.600 -0.025 0.000 1.048 235 K CA 1.540 57.829 56.287 0.003 0.000 0.929 235 K CB -0.265 32.235 32.500 -0.000 0.000 0.713 235 K HN 0.432 nan 8.250 nan 0.000 0.439 236 N N 0.508 119.182 118.700 -0.043 0.000 2.205 236 N HA -0.158 4.570 4.740 -0.019 0.000 0.186 236 N C 1.760 177.212 175.510 -0.097 0.000 1.015 236 N CA 0.852 53.847 53.050 -0.092 0.000 0.862 236 N CB 0.044 38.472 38.487 -0.098 0.000 0.986 236 N HN -0.031 nan 8.380 nan 0.000 0.429 237 V N 1.510 121.399 119.914 -0.042 0.000 2.239 237 V HA -0.150 3.958 4.120 -0.019 0.000 0.242 237 V C 2.401 178.494 176.094 -0.002 0.000 1.038 237 V CA 1.775 64.067 62.300 -0.014 0.000 1.002 237 V CB -0.819 31.012 31.823 0.013 0.000 0.641 237 V HN 0.271 nan 8.190 nan 0.000 0.449 238 A N -0.421 122.404 122.820 0.009 0.000 1.997 238 A HA -0.211 4.098 4.320 -0.019 0.000 0.221 238 A C 2.178 179.771 177.584 0.016 0.000 1.172 238 A CA 1.859 53.908 52.037 0.019 0.000 0.645 238 A CB -0.550 18.462 19.000 0.021 0.000 0.813 238 A HN 0.469 nan 8.150 nan 0.000 0.454 239 L N -1.121 120.096 121.223 -0.009 0.000 2.131 239 L HA -0.093 4.236 4.340 -0.019 0.000 0.206 239 L C 2.586 179.456 176.870 -0.001 0.000 1.087 239 L CA 2.060 56.892 54.840 -0.013 0.000 0.767 239 L CB -1.319 40.706 42.059 -0.056 0.000 0.917 239 L HN 0.388 nan 8.230 nan 0.000 0.441 240 T N -0.900 113.625 114.554 -0.048 0.000 2.942 240 T HA -0.063 4.275 4.350 -0.019 0.000 0.265 240 T C 2.032 176.800 174.700 0.113 0.000 1.062 240 T CA 0.654 62.736 62.100 -0.029 0.000 1.139 240 T CB 0.008 68.760 68.868 -0.194 0.000 0.883 240 T HN 0.257 nan 8.240 nan 0.000 0.468 241 R N 0.984 121.536 120.500 0.086 0.000 2.075 241 R HA -0.007 4.321 4.340 -0.019 0.000 0.232 241 R C 2.886 179.248 176.300 0.104 0.000 1.126 241 R CA 1.287 57.449 56.100 0.103 0.000 0.963 241 R CB -0.643 29.700 30.300 0.072 0.000 0.858 241 R HN 0.269 nan 8.270 nan 0.000 0.435 242 S N 0.266 116.019 115.700 0.087 0.000 2.383 242 S HA -0.217 4.241 4.470 -0.019 0.000 0.229 242 S C 1.783 176.441 174.600 0.096 0.000 1.030 242 S CA 1.216 59.462 58.200 0.077 0.000 1.002 242 S CB -0.254 62.985 63.200 0.066 0.000 0.829 242 S HN 0.430 nan 8.310 nan 0.000 0.467 243 Y N 1.306 121.618 120.300 0.022 0.000 2.263 243 Y HA 0.123 4.662 4.550 -0.019 0.000 0.292 243 Y C 1.821 177.762 175.900 0.069 0.000 1.130 243 Y CA 1.427 59.544 58.100 0.028 0.000 1.179 243 Y CB -0.152 38.314 38.460 0.010 0.000 0.998 243 Y HN 0.298 nan 8.280 nan 0.000 0.532 244 I N -0.651 120.026 120.570 0.178 0.000 2.406 244 I HA -0.224 3.935 4.170 -0.019 0.000 0.249 244 I C 2.303 178.460 176.117 0.066 0.000 1.122 244 I CA 0.581 61.996 61.300 0.192 0.000 1.431 244 I CB -0.343 37.828 38.000 0.286 0.000 1.087 244 I HN 0.061 nan 8.210 nan 0.000 0.424 245 R N 1.523 122.053 120.500 0.050 0.000 2.096 245 R HA -0.232 4.097 4.340 -0.019 0.000 0.240 245 R C 2.079 178.374 176.300 -0.007 0.000 1.139 245 R CA 2.160 58.278 56.100 0.029 0.000 0.952 245 R CB -0.866 29.453 30.300 0.032 0.000 0.854 245 R HN 0.637 nan 8.270 nan 0.000 0.436 246 E N 0.401 120.565 120.200 -0.061 0.000 2.072 246 E HA -0.168 4.171 4.350 -0.019 0.000 0.190 246 E C 1.820 178.343 176.600 -0.127 0.000 0.982 246 E CA 0.884 57.228 56.400 -0.093 0.000 0.803 246 E CB -0.204 29.419 29.700 -0.127 0.000 0.755 246 E HN -0.035 nan 8.360 nan 0.000 0.453 247 K N 0.917 121.173 120.400 -0.241 0.000 2.209 247 K HA -0.059 4.250 4.320 -0.019 0.000 0.204 247 K C 1.901 178.468 176.600 -0.055 0.000 1.048 247 K CA 0.833 56.960 56.287 -0.267 0.000 0.940 247 K CB -0.165 31.983 32.500 -0.586 0.000 0.729 247 K HN 0.100 nan 8.250 nan 0.000 0.451 248 V N 0.420 120.328 119.914 -0.010 0.000 2.407 248 V HA -0.158 3.951 4.120 -0.019 0.000 0.245 248 V C 1.978 178.134 176.094 0.103 0.000 1.041 248 V CA 1.470 63.797 62.300 0.044 0.000 1.040 248 V CB -0.270 31.587 31.823 0.058 0.000 0.671 248 V HN 0.269 nan 8.190 nan 0.000 0.455 249 K N 0.574 121.011 120.400 0.062 0.000 2.097 249 K HA -0.237 4.072 4.320 -0.019 0.000 0.206 249 K C 2.120 178.764 176.600 0.072 0.000 1.049 249 K CA 1.903 58.227 56.287 0.060 0.000 0.933 249 K CB -0.190 32.328 32.500 0.030 0.000 0.717 249 K HN 0.783 nan 8.250 nan 0.000 0.442 250 E N -0.196 120.048 120.200 0.074 0.000 2.204 250 E HA -0.192 4.146 4.350 -0.019 0.000 0.194 250 E C 1.513 178.171 176.600 0.096 0.000 0.989 250 E CA 1.156 57.594 56.400 0.063 0.000 0.824 250 E CB -0.165 29.550 29.700 0.026 0.000 0.756 250 E HN 0.361 nan 8.360 nan 0.000 0.477 251 H N 1.037 120.121 119.070 0.023 0.000 2.333 251 H HA 0.038 4.583 4.556 -0.019 0.000 0.302 251 H C 1.943 177.300 175.328 0.049 0.000 1.075 251 H CA 1.725 57.805 56.048 0.053 0.000 1.348 251 H CB -0.048 29.775 29.762 0.102 0.000 1.393 251 H HN 0.213 nan 8.280 nan 0.000 0.509 252 Q N -0.410 119.493 119.800 0.173 0.000 2.248 252 Q HA -0.131 4.198 4.340 -0.019 0.000 0.208 252 Q C 2.065 178.102 176.000 0.062 0.000 0.984 252 Q CA 1.178 57.045 55.803 0.107 0.000 0.875 252 Q CB 0.004 28.796 28.738 0.091 0.000 0.910 252 Q HN 0.489 nan 8.270 nan 0.000 0.433 253 A N 0.299 123.147 122.820 0.046 0.000 2.132 253 A HA -0.008 4.301 4.320 -0.019 0.000 0.213 253 A C 1.760 179.346 177.584 0.003 0.000 1.154 253 A CA 0.877 52.926 52.037 0.020 0.000 0.753 253 A CB 0.287 19.296 19.000 0.014 0.000 0.826 253 A HN 0.312 nan 8.150 nan 0.000 0.469 254 S N -1.009 114.685 115.700 -0.010 0.000 2.663 254 S HA 0.365 4.824 4.470 -0.019 0.000 0.243 254 S C 0.011 174.596 174.600 -0.025 0.000 1.009 254 S CA -0.477 57.703 58.200 -0.032 0.000 0.988 254 S CB -0.472 62.685 63.200 -0.073 0.000 0.896 254 S HN 0.262 nan 8.310 nan 0.000 0.502 255 L N 3.284 124.509 121.223 0.004 0.000 2.462 255 L HA 0.450 4.778 4.340 -0.019 0.000 0.272 255 L C -0.546 176.330 176.870 0.011 0.000 1.166 255 L CA 0.719 55.571 54.840 0.020 0.000 0.880 255 L CB 0.448 42.536 42.059 0.048 0.000 1.142 255 L HN 0.180 nan 8.230 nan 0.000 0.473 256 D N 3.518 123.924 120.400 0.010 0.000 2.438 256 D HA 0.113 4.741 4.640 -0.019 0.000 0.257 256 D C 1.043 177.348 176.300 0.009 0.000 1.148 256 D CA -0.079 53.924 54.000 0.004 0.000 0.902 256 D CB 1.040 41.839 40.800 -0.002 0.000 1.062 256 D HN 0.390 nan 8.370 nan 0.000 0.518 257 V N 2.259 122.177 119.914 0.006 0.000 2.660 257 V HA -0.193 3.916 4.120 -0.019 0.000 0.257 257 V C 1.185 177.278 176.094 -0.001 0.000 1.088 257 V CA 1.446 63.748 62.300 0.003 0.000 1.106 257 V CB -0.504 31.315 31.823 -0.007 0.000 0.686 257 V HN 0.361 nan 8.190 nan 0.000 0.481 258 N N 1.525 120.224 118.700 -0.003 0.000 2.446 258 N HA 0.014 4.743 4.740 -0.019 0.000 0.179 258 N C 0.208 175.718 175.510 -0.001 0.000 1.054 258 N CA 0.893 53.939 53.050 -0.006 0.000 0.905 258 N CB -0.257 38.225 38.487 -0.008 0.000 0.973 258 N HN 0.712 nan 8.380 nan 0.000 0.448 259 N N 0.829 119.531 118.700 0.005 0.000 2.707 259 N HA 0.250 4.979 4.740 -0.019 0.000 0.249 259 N C -2.939 172.584 175.510 0.021 0.000 1.299 259 N CA -0.720 52.337 53.050 0.011 0.000 0.769 259 N CB 2.171 40.662 38.487 0.007 0.000 1.236 259 N HN -0.018 nan 8.380 nan 0.000 0.524 260 P HA 0.231 nan 4.420 nan 0.000 0.272 260 P C 0.547 177.879 177.300 0.053 0.000 1.223 260 P CA -0.157 62.971 63.100 0.046 0.000 0.784 260 P CB 1.475 33.200 31.700 0.042 0.000 0.923 261 R N 0.803 121.348 120.500 0.075 0.000 2.167 261 R HA 0.160 4.488 4.340 -0.019 0.000 0.201 261 R C 0.192 176.557 176.300 0.108 0.000 1.024 261 R CA 0.711 56.858 56.100 0.078 0.000 1.053 261 R CB -0.032 30.308 30.300 0.067 0.000 0.987 261 R HN 0.624 nan 8.270 nan 0.000 0.493 262 D N -2.313 118.179 120.400 0.153 0.000 2.895 262 D HA 0.010 4.639 4.640 -0.019 0.000 0.320 262 D C 0.174 176.570 176.300 0.160 0.000 1.249 262 D CA -0.823 53.280 54.000 0.171 0.000 0.997 262 D CB -0.188 40.764 40.800 0.253 0.000 1.430 262 D HN -0.171 nan 8.370 nan 0.000 0.558 263 F N 0.276 120.268 119.950 0.070 0.000 2.161 263 F HA -0.070 4.446 4.527 -0.018 0.000 0.300 263 F C 1.809 177.728 175.800 0.197 0.000 1.089 263 F CA 1.426 59.480 58.000 0.090 0.000 1.282 263 F CB 0.007 39.002 39.000 -0.009 0.000 1.010 263 F HN 0.220 nan 8.300 nan 0.000 0.485 264 I N 0.256 120.995 120.570 0.281 0.000 2.179 264 I HA -0.292 3.867 4.170 -0.019 0.000 0.242 264 I C 2.007 178.272 176.117 0.246 0.000 1.088 264 I CA 1.525 62.963 61.300 0.230 0.000 1.357 264 I CB -1.329 36.679 38.000 0.013 0.000 1.051 264 I HN 0.150 nan 8.210 nan 0.000 0.409 265 D N 0.716 121.269 120.400 0.256 0.000 2.097 265 D HA -0.154 4.475 4.640 -0.019 0.000 0.195 265 D C 2.351 178.732 176.300 0.134 0.000 0.989 265 D CA 1.248 55.368 54.000 0.199 0.000 0.827 265 D CB -0.400 40.499 40.800 0.164 0.000 0.966 265 D HN 0.319 nan 8.370 nan 0.000 0.456 266 C N 0.302 119.662 119.300 0.100 0.000 2.403 266 C HA -0.158 4.291 4.460 -0.019 0.000 0.279 266 C C 2.511 177.606 174.990 0.175 0.000 1.269 266 C CA 0.139 59.219 59.018 0.103 0.000 1.774 266 C CB -1.308 26.436 27.740 0.008 0.000 1.993 266 C HN 0.258 nan 8.230 nan 0.000 0.496 267 F N 0.778 120.754 119.950 0.043 0.000 2.149 267 F HA 0.032 4.548 4.527 -0.019 0.000 0.294 267 F C 2.176 177.924 175.800 -0.088 0.000 1.095 267 F CA 1.296 59.229 58.000 -0.111 0.000 1.276 267 F CB -0.278 38.714 39.000 -0.012 0.000 1.023 267 F HN 0.048 nan 8.300 nan 0.000 0.480 268 L N -0.058 121.299 121.223 0.224 0.000 2.079 268 L HA -0.263 4.066 4.340 -0.019 0.000 0.210 268 L C 2.328 179.198 176.870 -0.001 0.000 1.081 268 L CA 1.267 56.190 54.840 0.139 0.000 0.752 268 L CB -0.627 41.529 42.059 0.162 0.000 0.896 268 L HN 0.222 nan 8.230 nan 0.000 0.433 269 I N -0.233 120.322 120.570 -0.025 0.000 2.163 269 I HA -0.296 3.863 4.170 -0.019 0.000 0.240 269 I C 2.626 178.639 176.117 -0.174 0.000 1.081 269 I CA 1.162 62.421 61.300 -0.068 0.000 1.353 269 I CB -0.193 37.783 38.000 -0.039 0.000 1.054 269 I HN 0.144 nan 8.210 nan 0.000 0.407 270 K N 0.969 121.185 120.400 -0.307 0.000 2.152 270 K HA -0.161 4.148 4.320 -0.019 0.000 0.206 270 K C 2.051 178.323 176.600 -0.546 0.000 1.048 270 K CA 1.587 57.545 56.287 -0.548 0.000 0.933 270 K CB -0.130 31.778 32.500 -0.986 0.000 0.721 270 K HN 0.200 nan 8.250 nan 0.000 0.447 271 M N -0.267 119.083 119.600 -0.417 0.000 2.099 271 M HA -0.156 4.312 4.480 -0.019 0.000 0.262 271 M C 2.082 178.296 176.300 -0.144 0.000 1.067 271 M CA 1.818 56.980 55.300 -0.230 0.000 1.124 271 M CB -0.261 32.298 32.600 -0.068 0.000 1.353 271 M HN 0.128 nan 8.290 nan 0.000 0.410 272 E N 0.635 120.766 120.200 -0.115 0.000 2.058 272 E HA -0.259 4.080 4.350 -0.019 0.000 0.194 272 E C 1.833 178.373 176.600 -0.101 0.000 0.997 272 E CA 1.680 58.033 56.400 -0.079 0.000 0.801 272 E CB -0.177 29.488 29.700 -0.058 0.000 0.746 272 E HN 0.388 nan 8.360 nan 0.000 0.450 273 Q N -0.520 119.194 119.800 -0.144 0.000 2.268 273 Q HA -0.183 4.146 4.340 -0.019 0.000 0.210 273 Q C 0.852 176.766 176.000 -0.144 0.000 0.988 273 Q CA 1.607 57.319 55.803 -0.151 0.000 0.883 273 Q CB 0.131 28.742 28.738 -0.212 0.000 0.911 273 Q HN 0.251 nan 8.270 nan 0.000 0.430 274 E N -0.862 119.246 120.200 -0.153 0.000 2.501 274 E HA 0.035 4.373 4.350 -0.019 0.000 0.201 274 E C 0.623 177.190 176.600 -0.055 0.000 1.016 274 E CA -0.122 56.213 56.400 -0.107 0.000 0.920 274 E CB 0.365 29.995 29.700 -0.116 0.000 1.023 274 E HN 0.286 nan 8.360 nan 0.000 0.474 275 K N 1.266 121.635 120.400 -0.052 0.000 2.170 275 K HA -0.257 4.052 4.320 -0.019 0.000 0.217 275 K C 0.131 176.724 176.600 -0.012 0.000 0.877 275 K CA 2.485 58.756 56.287 -0.027 0.000 0.997 275 K CB -0.498 31.987 32.500 -0.026 0.000 0.964 275 K HN 0.241 nan 8.250 nan 0.000 0.519 276 D N -0.422 119.969 120.400 -0.014 0.000 2.772 276 D HA 0.147 4.776 4.640 -0.019 0.000 0.273 276 D C 0.204 176.502 176.300 -0.004 0.000 1.233 276 D CA -0.285 53.711 54.000 -0.006 0.000 0.984 276 D CB 0.528 41.324 40.800 -0.007 0.000 1.000 276 D HN 0.146 nan 8.370 nan 0.000 0.514 277 N N 1.623 120.324 118.700 0.002 0.000 2.360 277 N HA -0.133 4.596 4.740 -0.019 0.000 0.211 277 N C 1.361 176.883 175.510 0.019 0.000 1.147 277 N CA 0.635 53.691 53.050 0.009 0.000 0.866 277 N CB 0.462 38.955 38.487 0.011 0.000 1.206 277 N HN 0.469 nan 8.380 nan 0.000 0.478 278 Q N 1.555 121.369 119.800 0.022 0.000 2.145 278 Q HA -0.387 3.942 4.340 -0.019 0.000 0.341 278 Q C 1.102 177.122 176.000 0.033 0.000 2.068 278 Q CA 2.581 58.401 55.803 0.027 0.000 0.811 278 Q CB -2.102 26.648 28.738 0.020 0.000 1.480 278 Q HN 0.451 nan 8.270 nan 0.000 0.776 279 K N 2.325 122.742 120.400 0.029 0.000 2.374 279 K HA -0.117 4.192 4.320 -0.019 0.000 0.202 279 K C 0.637 177.261 176.600 0.039 0.000 1.044 279 K CA 1.549 57.854 56.287 0.029 0.000 0.933 279 K CB -0.522 31.993 32.500 0.026 0.000 0.745 279 K HN 0.601 nan 8.250 nan 0.000 0.474 280 S N 1.476 117.212 115.700 0.060 0.000 2.525 280 S HA 0.035 4.494 4.470 -0.019 0.000 0.285 280 S C 0.639 175.278 174.600 0.066 0.000 1.283 280 S CA -0.573 57.693 58.200 0.110 0.000 1.072 280 S CB 1.206 64.511 63.200 0.175 0.000 0.867 280 S HN 0.241 nan 8.310 nan 0.000 0.492 281 E N 1.687 121.863 120.200 -0.041 0.000 2.396 281 E HA -0.073 4.266 4.350 -0.019 0.000 0.200 281 E C -0.370 176.063 176.600 -0.278 0.000 1.023 281 E CA 0.587 56.868 56.400 -0.198 0.000 0.857 281 E CB -0.363 29.140 29.700 -0.329 0.000 0.775 281 E HN 0.812 nan 8.360 nan 0.000 0.525 282 F N 2.679 122.615 119.950 -0.024 0.000 2.464 282 F HA 0.111 4.627 4.527 -0.018 0.000 0.353 282 F C 0.715 176.544 175.800 0.048 0.000 1.191 282 F CA -0.503 57.442 58.000 -0.091 0.000 1.147 282 F CB -0.254 38.439 39.000 -0.511 0.000 1.294 282 F HN -0.057 nan 8.300 nan 0.000 0.583 283 N N 0.719 119.621 118.700 0.336 0.000 2.972 283 N HA 0.410 5.138 4.740 -0.019 0.000 0.262 283 N C 0.332 176.003 175.510 0.269 0.000 1.478 283 N CA -0.863 52.334 53.050 0.245 0.000 0.841 283 N CB 0.804 39.366 38.487 0.126 0.000 1.512 283 N HN -0.004 nan 8.380 nan 0.000 0.548 284 I N -0.665 120.001 120.570 0.160 0.000 2.179 284 I HA -0.128 4.030 4.170 -0.019 0.000 0.242 284 I C 2.030 178.173 176.117 0.043 0.000 1.088 284 I CA 1.521 62.881 61.300 0.099 0.000 1.357 284 I CB -1.166 36.882 38.000 0.079 0.000 1.051 284 I HN 0.716 nan 8.210 nan 0.000 0.409 285 E N 1.675 121.905 120.200 0.051 0.000 2.065 285 E HA -0.242 4.097 4.350 -0.019 0.000 0.201 285 E C 2.049 178.655 176.600 0.010 0.000 1.016 285 E CA 1.629 58.049 56.400 0.033 0.000 0.818 285 E CB -0.315 29.407 29.700 0.037 0.000 0.749 285 E HN 0.326 nan 8.360 nan 0.000 0.453 286 N N -0.340 118.369 118.700 0.015 0.000 2.309 286 N HA -0.128 4.601 4.740 -0.019 0.000 0.182 286 N C 1.712 177.135 175.510 -0.144 0.000 1.018 286 N CA 0.721 53.764 53.050 -0.013 0.000 0.876 286 N CB -0.053 38.451 38.487 0.029 0.000 0.972 286 N HN 0.170 nan 8.380 nan 0.000 0.434 287 L N 0.671 121.708 121.223 -0.310 0.000 2.095 287 L HA -0.009 4.319 4.340 -0.019 0.000 0.204 287 L C 2.034 178.747 176.870 -0.263 0.000 1.080 287 L CA 1.173 55.587 54.840 -0.710 0.000 0.759 287 L CB -0.581 40.980 42.059 -0.831 0.000 0.914 287 L HN -0.169 nan 8.230 nan 0.000 0.439 288 V N 0.410 120.263 119.914 -0.101 0.000 2.261 288 V HA -0.164 3.944 4.120 -0.019 0.000 0.246 288 V C 2.681 178.793 176.094 0.031 0.000 1.047 288 V CA 1.790 64.096 62.300 0.009 0.000 1.015 288 V CB -1.854 29.994 31.823 0.042 0.000 0.642 288 V HN 0.586 nan 8.190 nan 0.000 0.446 289 G N -0.747 108.060 108.800 0.013 0.000 2.440 289 G HA2 -0.354 3.595 3.960 -0.019 0.000 0.218 289 G HA3 -0.354 3.595 3.960 -0.019 0.000 0.218 289 G C 1.805 176.717 174.900 0.020 0.000 1.154 289 G CA 1.739 46.859 45.100 0.033 0.000 0.767 289 G HN 0.467 nan 8.290 nan 0.000 0.552 290 T N -0.169 114.371 114.554 -0.023 0.000 2.867 290 T HA -0.072 4.267 4.350 -0.019 0.000 0.268 290 T C 2.452 177.074 174.700 -0.129 0.000 1.057 290 T CA 1.625 63.700 62.100 -0.042 0.000 1.136 290 T CB -0.192 68.688 68.868 0.020 0.000 0.874 290 T HN 0.024 nan 8.240 nan 0.000 0.466 291 V N 1.802 121.659 119.914 -0.096 0.000 2.307 291 V HA -0.025 4.083 4.120 -0.019 0.000 0.245 291 V C 3.103 179.229 176.094 0.054 0.000 1.045 291 V CA 1.667 63.898 62.300 -0.115 0.000 1.024 291 V CB -1.449 30.395 31.823 0.035 0.000 0.651 291 V HN 0.626 nan 8.190 nan 0.000 0.449 292 A N 0.345 123.273 122.820 0.180 0.000 1.873 292 A HA -0.323 3.985 4.320 -0.019 0.000 0.218 292 A C 1.927 179.602 177.584 0.153 0.000 1.193 292 A CA 2.401 54.612 52.037 0.291 0.000 0.629 292 A CB -0.922 18.216 19.000 0.231 0.000 0.826 292 A HN 0.533 nan 8.150 nan 0.000 0.447 293 D N -0.284 120.146 120.400 0.051 0.000 2.265 293 D HA -0.103 4.525 4.640 -0.019 0.000 0.208 293 D C 1.717 177.962 176.300 -0.092 0.000 0.977 293 D CA 0.776 54.775 54.000 -0.002 0.000 0.871 293 D CB -0.216 40.585 40.800 0.002 0.000 0.925 293 D HN 0.502 nan 8.370 nan 0.000 0.485 294 L N -1.190 119.914 121.223 -0.199 0.000 2.209 294 L HA 0.005 4.334 4.340 -0.019 0.000 0.207 294 L C 1.935 178.567 176.870 -0.395 0.000 1.094 294 L CA 0.396 55.026 54.840 -0.350 0.000 0.790 294 L CB -0.214 41.508 42.059 -0.561 0.000 0.932 294 L HN -0.003 nan 8.230 nan 0.000 0.447 295 F N -0.538 119.211 119.950 -0.334 0.000 2.128 295 F HA -0.168 4.347 4.527 -0.019 0.000 0.295 295 F C 2.431 177.879 175.800 -0.587 0.000 1.100 295 F CA 1.011 58.660 58.000 -0.585 0.000 1.260 295 F CB -0.447 37.920 39.000 -1.055 0.000 1.009 295 F HN -0.261 nan 8.300 nan 0.000 0.476 296 V N 0.217 119.997 119.914 -0.222 0.000 2.231 296 V HA -0.374 3.735 4.120 -0.019 0.000 0.248 296 V C 2.477 178.522 176.094 -0.083 0.000 1.054 296 V CA 2.184 64.429 62.300 -0.092 0.000 1.015 296 V CB -1.294 30.560 31.823 0.051 0.000 0.638 296 V HN 0.375 nan 8.190 nan 0.000 0.444 297 A N -0.548 122.230 122.820 -0.070 0.000 2.119 297 A HA 0.148 4.456 4.320 -0.019 0.000 0.216 297 A C 2.086 179.628 177.584 -0.070 0.000 1.152 297 A CA 1.461 53.470 52.037 -0.048 0.000 0.708 297 A CB -0.474 18.514 19.000 -0.020 0.000 0.805 297 A HN 0.605 nan 8.150 nan 0.000 0.460 298 G N -2.406 106.318 108.800 -0.126 0.000 3.062 298 G HA2 0.241 4.190 3.960 -0.019 0.000 0.228 298 G HA3 0.241 4.190 3.960 -0.019 0.000 0.228 298 G C 1.107 175.947 174.900 -0.100 0.000 1.094 298 G CA 0.980 46.015 45.100 -0.107 0.000 0.782 298 G HN 0.346 nan 8.290 nan 0.000 0.541 299 T N 0.723 115.195 114.554 -0.137 0.000 2.896 299 T HA 0.022 4.361 4.350 -0.019 0.000 0.238 299 T C 2.010 176.617 174.700 -0.156 0.000 1.045 299 T CA 1.138 63.169 62.100 -0.114 0.000 1.248 299 T CB -0.064 68.726 68.868 -0.130 0.000 0.955 299 T HN 0.150 nan 8.240 nan 0.000 0.416 300 E N 1.025 121.059 120.200 -0.277 0.000 2.077 300 E HA -0.127 4.212 4.350 -0.019 0.000 0.193 300 E C 2.436 178.845 176.600 -0.318 0.000 0.989 300 E CA 1.764 57.908 56.400 -0.426 0.000 0.800 300 E CB -0.522 28.581 29.700 -0.996 0.000 0.746 300 E HN 0.659 nan 8.360 nan 0.000 0.452 301 T N -2.717 111.693 114.554 -0.239 0.000 2.684 301 T HA -0.187 4.152 4.350 -0.019 0.000 0.267 301 T C 1.989 176.668 174.700 -0.035 0.000 1.036 301 T CA 1.952 63.990 62.100 -0.103 0.000 1.148 301 T CB -0.930 67.913 68.868 -0.041 0.000 0.863 301 T HN 0.062 nan 8.240 nan 0.000 0.436 302 T N 1.498 116.042 114.554 -0.017 0.000 2.812 302 T HA -0.027 4.311 4.350 -0.019 0.000 0.264 302 T C 2.329 177.046 174.700 0.029 0.000 1.042 302 T CA 1.248 63.375 62.100 0.045 0.000 1.140 302 T CB -0.651 68.263 68.868 0.078 0.000 0.870 302 T HN 0.506 nan 8.240 nan 0.000 0.445 303 S N 0.941 116.623 115.700 -0.030 0.000 2.351 303 S HA -0.196 4.262 4.470 -0.019 0.000 0.220 303 S C 2.250 176.841 174.600 -0.015 0.000 1.035 303 S CA 2.129 60.297 58.200 -0.053 0.000 1.031 303 S CB -0.956 62.181 63.200 -0.104 0.000 0.928 303 S HN 0.532 nan 8.310 nan 0.000 0.433 304 T N 1.273 115.815 114.554 -0.019 0.000 2.699 304 T HA -0.102 4.237 4.350 -0.019 0.000 0.268 304 T C 1.900 176.671 174.700 0.118 0.000 1.036 304 T CA 1.978 64.104 62.100 0.042 0.000 1.147 304 T CB -0.957 67.938 68.868 0.045 0.000 0.862 304 T HN 0.539 nan 8.240 nan 0.000 0.446 305 T N 2.166 116.784 114.554 0.107 0.000 2.867 305 T HA 0.094 4.433 4.350 -0.019 0.000 0.268 305 T C 1.946 176.745 174.700 0.165 0.000 1.057 305 T CA 0.617 62.805 62.100 0.147 0.000 1.136 305 T CB -0.329 68.595 68.868 0.094 0.000 0.874 305 T HN 0.254 nan 8.240 nan 0.000 0.466 306 L N 0.299 121.597 121.223 0.125 0.000 2.017 306 L HA -0.091 4.238 4.340 -0.019 0.000 0.208 306 L C 2.991 179.949 176.870 0.147 0.000 1.073 306 L CA 1.404 56.316 54.840 0.119 0.000 0.745 306 L CB -0.424 41.662 42.059 0.046 0.000 0.894 306 L HN 0.180 nan 8.230 nan 0.000 0.432 307 R N -0.880 119.708 120.500 0.146 0.000 2.080 307 R HA -0.235 4.093 4.340 -0.019 0.000 0.236 307 R C 2.311 178.760 176.300 0.248 0.000 1.137 307 R CA 2.014 58.237 56.100 0.205 0.000 0.943 307 R CB -0.570 29.821 30.300 0.152 0.000 0.846 307 R HN 0.331 nan 8.270 nan 0.000 0.431 308 Y N -0.208 120.162 120.300 0.116 0.000 2.207 308 Y HA -0.217 4.321 4.550 -0.019 0.000 0.287 308 Y C 2.356 178.266 175.900 0.017 0.000 1.156 308 Y CA 0.831 58.972 58.100 0.070 0.000 1.182 308 Y CB -0.141 38.375 38.460 0.094 0.000 0.979 308 Y HN 0.258 nan 8.280 nan 0.000 0.521 309 G N -0.374 108.565 108.800 0.231 0.000 2.408 309 G HA2 -0.208 3.741 3.960 -0.019 0.000 0.217 309 G HA3 -0.208 3.741 3.960 -0.019 0.000 0.217 309 G C 1.563 176.507 174.900 0.074 0.000 1.150 309 G CA 0.674 45.847 45.100 0.122 0.000 0.776 309 G HN 0.315 nan 8.290 nan 0.000 0.542 310 L N -0.457 120.841 121.223 0.124 0.000 2.005 310 L HA -0.022 4.307 4.340 -0.019 0.000 0.207 310 L C 2.728 179.602 176.870 0.006 0.000 1.072 310 L CA 0.746 55.662 54.840 0.126 0.000 0.744 310 L CB -0.478 41.731 42.059 0.250 0.000 0.895 310 L HN 0.243 nan 8.230 nan 0.000 0.433 311 L N 0.108 121.280 121.223 -0.084 0.000 1.997 311 L HA -0.277 4.052 4.340 -0.019 0.000 0.216 311 L C 2.410 179.145 176.870 -0.225 0.000 1.074 311 L CA 1.866 56.497 54.840 -0.349 0.000 0.763 311 L CB -0.493 41.289 42.059 -0.462 0.000 0.890 311 L HN 0.113 nan 8.230 nan 0.000 0.434 312 L N -1.346 119.750 121.223 -0.212 0.000 2.079 312 L HA -0.260 4.068 4.340 -0.019 0.000 0.210 312 L C 2.469 179.076 176.870 -0.439 0.000 1.081 312 L CA 1.302 55.837 54.840 -0.509 0.000 0.752 312 L CB -0.494 41.060 42.059 -0.842 0.000 0.896 312 L HN 0.344 nan 8.230 nan 0.000 0.433 313 L N -1.033 120.061 121.223 -0.216 0.000 2.217 313 L HA -0.183 4.146 4.340 -0.019 0.000 0.211 313 L C 2.399 179.258 176.870 -0.018 0.000 1.107 313 L CA 0.684 55.480 54.840 -0.074 0.000 0.783 313 L CB -0.214 41.855 42.059 0.016 0.000 0.919 313 L HN 0.281 nan 8.230 nan 0.000 0.442 314 L N 0.014 121.206 121.223 -0.052 0.000 2.023 314 L HA -0.217 4.112 4.340 -0.019 0.000 0.205 314 L C 2.657 179.508 176.870 -0.031 0.000 1.073 314 L CA 1.308 56.119 54.840 -0.047 0.000 0.745 314 L CB -0.106 41.892 42.059 -0.103 0.000 0.900 314 L HN 0.178 nan 8.230 nan 0.000 0.435 315 K N -0.234 120.148 120.400 -0.029 0.000 2.209 315 K HA -0.172 4.137 4.320 -0.019 0.000 0.204 315 K C 0.022 176.624 176.600 0.003 0.000 1.048 315 K CA 1.355 57.645 56.287 0.005 0.000 0.940 315 K CB -0.132 32.402 32.500 0.056 0.000 0.729 315 K HN 0.398 nan 8.250 nan 0.000 0.451 316 H N -0.828 118.181 119.070 -0.102 0.000 2.340 316 H HA 0.268 4.813 4.556 -0.019 0.000 0.233 316 H C -2.210 173.130 175.328 0.020 0.000 1.435 316 H CA -2.430 53.604 56.048 -0.023 0.000 1.389 316 H CB 1.252 31.019 29.762 0.009 0.000 1.491 316 H HN 0.122 nan 8.280 nan 0.000 0.518 317 P HA -0.131 nan 4.420 nan 0.000 0.225 317 P C 1.024 178.382 177.300 0.096 0.000 1.148 317 P CA 1.159 64.306 63.100 0.079 0.000 0.779 317 P CB 0.514 32.238 31.700 0.039 0.000 0.780 318 E N -0.932 119.332 120.200 0.107 0.000 2.152 318 E HA -0.068 4.271 4.350 -0.019 0.000 0.192 318 E C 1.706 178.399 176.600 0.155 0.000 0.983 318 E CA 0.809 57.272 56.400 0.104 0.000 0.818 318 E CB -0.252 29.500 29.700 0.088 0.000 0.758 318 E HN 0.126 nan 8.360 nan 0.000 0.467 319 V N 0.709 120.768 119.914 0.242 0.000 2.535 319 V HA -0.145 3.964 4.120 -0.019 0.000 0.246 319 V C 2.211 178.496 176.094 0.319 0.000 1.045 319 V CA 1.629 64.143 62.300 0.356 0.000 1.058 319 V CB -0.305 31.768 31.823 0.416 0.000 0.689 319 V HN 0.257 nan 8.190 nan 0.000 0.461 320 T N 0.766 115.449 114.554 0.216 0.000 2.746 320 T HA -0.139 4.200 4.350 -0.019 0.000 0.267 320 T C 2.105 176.891 174.700 0.142 0.000 1.039 320 T CA 1.675 63.878 62.100 0.171 0.000 1.142 320 T CB -0.377 68.567 68.868 0.125 0.000 0.866 320 T HN 0.541 nan 8.240 nan 0.000 0.444 321 A N 1.276 124.161 122.820 0.109 0.000 1.940 321 A HA -0.120 4.189 4.320 -0.019 0.000 0.219 321 A C 2.197 179.805 177.584 0.039 0.000 1.176 321 A CA 1.818 53.895 52.037 0.066 0.000 0.631 321 A CB -0.465 18.562 19.000 0.046 0.000 0.814 321 A HN 0.441 nan 8.150 nan 0.000 0.446 322 K N -0.571 119.842 120.400 0.022 0.000 2.217 322 K HA 0.015 4.324 4.320 -0.019 0.000 0.202 322 K C 1.692 178.270 176.600 -0.036 0.000 1.051 322 K CA 0.988 57.193 56.287 -0.136 0.000 0.952 322 K CB -0.083 32.139 32.500 -0.463 0.000 0.736 322 K HN 0.297 nan 8.250 nan 0.000 0.453 323 V N 1.128 121.150 119.914 0.179 0.000 2.283 323 V HA -0.213 3.896 4.120 -0.019 0.000 0.243 323 V C 2.068 178.242 176.094 0.133 0.000 1.039 323 V CA 1.554 64.001 62.300 0.245 0.000 1.016 323 V CB -0.403 31.570 31.823 0.250 0.000 0.650 323 V HN 0.356 nan 8.190 nan 0.000 0.449 324 Q N -0.277 119.584 119.800 0.101 0.000 2.170 324 Q HA -0.236 4.093 4.340 -0.019 0.000 0.203 324 Q C 2.314 178.349 176.000 0.058 0.000 0.976 324 Q CA 1.524 57.370 55.803 0.072 0.000 0.858 324 Q CB -0.180 28.597 28.738 0.065 0.000 0.907 324 Q HN 0.657 nan 8.270 nan 0.000 0.433 325 E N 0.956 121.182 120.200 0.042 0.000 2.208 325 E HA -0.212 4.127 4.350 -0.019 0.000 0.193 325 E C 1.511 178.138 176.600 0.044 0.000 0.988 325 E CA 0.810 57.224 56.400 0.024 0.000 0.828 325 E CB 0.227 29.913 29.700 -0.022 0.000 0.763 325 E HN 0.387 nan 8.360 nan 0.000 0.478 326 E N -0.115 120.122 120.200 0.062 0.000 2.216 326 E HA 0.004 4.343 4.350 -0.019 0.000 0.192 326 E C 2.173 178.862 176.600 0.149 0.000 0.973 326 E CA 0.021 56.484 56.400 0.104 0.000 0.851 326 E CB 0.188 29.963 29.700 0.125 0.000 0.804 326 E HN 0.252 nan 8.360 nan 0.000 0.477 327 I N 1.071 121.711 120.570 0.116 0.000 2.252 327 I HA -0.217 3.942 4.170 -0.019 0.000 0.245 327 I C 1.886 178.050 176.117 0.078 0.000 1.102 327 I CA 1.334 62.690 61.300 0.095 0.000 1.385 327 I CB -0.113 37.921 38.000 0.057 0.000 1.064 327 I HN 0.096 nan 8.210 nan 0.000 0.414 328 D N -0.378 120.064 120.400 0.069 0.000 2.219 328 D HA -0.225 4.404 4.640 -0.019 0.000 0.205 328 D C 2.179 178.520 176.300 0.067 0.000 0.970 328 D CA 0.819 54.846 54.000 0.044 0.000 0.851 328 D CB 0.057 40.877 40.800 0.032 0.000 0.943 328 D HN 0.309 nan 8.370 nan 0.000 0.488 329 H N -0.581 118.500 119.070 0.018 0.000 2.436 329 H HA 0.037 4.581 4.556 -0.019 0.000 0.294 329 H C 1.551 176.891 175.328 0.021 0.000 1.048 329 H CA 0.994 57.052 56.048 0.017 0.000 1.353 329 H CB 0.347 30.119 29.762 0.017 0.000 1.414 329 H HN 0.076 nan 8.280 nan 0.000 0.536 330 V N 0.427 120.392 119.914 0.084 0.000 3.263 330 V HA 0.006 4.115 4.120 -0.019 0.000 0.248 330 V C 2.239 178.352 176.094 0.033 0.000 1.145 330 V CA 0.739 63.065 62.300 0.044 0.000 1.107 330 V CB 0.347 32.280 31.823 0.183 0.000 0.797 330 V HN 0.277 nan 8.190 nan 0.000 0.467 331 I N -1.099 119.501 120.570 0.050 0.000 3.883 331 I HA 0.497 4.656 4.170 -0.019 0.000 0.305 331 I C 1.431 177.558 176.117 0.016 0.000 1.247 331 I CA 0.868 62.196 61.300 0.046 0.000 1.350 331 I CB 0.397 38.437 38.000 0.066 0.000 1.194 331 I HN 0.409 nan 8.210 nan 0.000 0.441 332 G N 2.849 111.643 108.800 -0.010 0.000 2.499 332 G HA2 -0.249 3.700 3.960 -0.019 0.000 0.232 332 G HA3 -0.249 3.700 3.960 -0.019 0.000 0.232 332 G C 0.270 175.096 174.900 -0.124 0.000 1.251 332 G CA 0.113 45.177 45.100 -0.059 0.000 0.917 332 G HN 0.444 nan 8.290 nan 0.000 0.580 333 R N -0.590 119.726 120.500 -0.306 0.000 2.582 333 R HA 0.473 4.801 4.340 -0.019 0.000 0.453 333 R C 0.761 176.823 176.300 -0.395 0.000 0.969 333 R CA 0.373 56.281 56.100 -0.320 0.000 1.113 333 R CB 0.042 30.169 30.300 -0.288 0.000 1.507 333 R HN 0.678 nan 8.270 nan 0.000 0.587 334 H N 1.149 120.221 119.070 0.003 0.000 2.249 334 H HA 0.188 4.733 4.556 -0.019 0.000 0.261 334 H C 0.252 175.584 175.328 0.007 0.000 0.976 334 H CA -0.283 55.767 56.048 0.003 0.000 1.322 334 H CB 0.190 29.952 29.762 0.000 0.000 1.418 334 H HN 0.079 nan 8.280 nan 0.000 0.561 335 R N 1.856 122.447 120.500 0.152 0.000 2.594 335 R HA 0.302 4.630 4.340 -0.019 0.000 0.272 335 R C -0.537 175.799 176.300 0.060 0.000 1.074 335 R CA -0.293 55.858 56.100 0.085 0.000 1.105 335 R CB 0.645 30.989 30.300 0.073 0.000 1.008 335 R HN -0.024 nan 8.270 nan 0.000 0.472 336 S N 4.032 119.762 115.700 0.050 0.000 2.549 336 S HA 0.150 4.608 4.470 -0.019 0.000 0.283 336 S C -1.797 172.837 174.600 0.057 0.000 1.320 336 S CA -0.850 57.382 58.200 0.052 0.000 1.058 336 S CB 0.503 63.731 63.200 0.046 0.000 0.882 336 S HN 0.618 nan 8.310 nan 0.000 0.498 337 P HA 0.250 nan 4.420 nan 0.000 0.272 337 P C -0.449 176.922 177.300 0.119 0.000 1.230 337 P CA -0.421 62.738 63.100 0.098 0.000 0.788 337 P CB 0.248 31.996 31.700 0.081 0.000 0.949 338 C N 1.123 120.518 119.300 0.159 0.000 3.171 338 C HA 0.448 4.897 4.460 -0.019 0.000 0.308 338 C C 1.712 176.752 174.990 0.084 0.000 1.334 338 C CA -0.942 58.139 59.018 0.104 0.000 1.473 338 C CB 0.775 28.544 27.740 0.048 0.000 1.866 338 C HN 0.432 nan 8.230 nan 0.000 0.465 339 M N 1.187 120.765 119.600 -0.037 0.000 2.530 339 M HA -0.087 4.382 4.480 -0.019 0.000 0.261 339 M C 1.927 178.084 176.300 -0.240 0.000 1.067 339 M CA 1.206 56.374 55.300 -0.220 0.000 1.071 339 M CB -1.226 31.258 32.600 -0.193 0.000 1.405 339 M HN 0.834 nan 8.290 nan 0.000 0.478 340 Q N 0.567 120.299 119.800 -0.114 0.000 2.212 340 Q HA -0.076 4.253 4.340 -0.019 0.000 0.199 340 Q C 1.309 177.261 176.000 -0.080 0.000 0.950 340 Q CA 1.029 56.775 55.803 -0.096 0.000 0.863 340 Q CB 0.015 28.739 28.738 -0.024 0.000 0.944 340 Q HN 0.491 nan 8.270 nan 0.000 0.465 341 D N 0.124 120.528 120.400 0.007 0.000 2.178 341 D HA -0.177 4.452 4.640 -0.019 0.000 0.201 341 D C 1.805 178.141 176.300 0.060 0.000 0.980 341 D CA 0.612 54.682 54.000 0.117 0.000 0.842 341 D CB -0.116 40.808 40.800 0.208 0.000 0.948 341 D HN 0.225 nan 8.370 nan 0.000 0.472 342 R N 0.913 121.308 120.500 -0.175 0.000 2.119 342 R HA -0.131 4.198 4.340 -0.019 0.000 0.246 342 R C 2.002 178.162 176.300 -0.233 0.000 1.146 342 R CA 1.417 57.300 56.100 -0.361 0.000 0.962 342 R CB -0.131 29.581 30.300 -0.979 0.000 0.863 342 R HN -0.069 nan 8.270 nan 0.000 0.442 343 S N -0.829 114.689 115.700 -0.303 0.000 2.537 343 S HA -0.095 4.364 4.470 -0.019 0.000 0.240 343 S C 0.486 174.879 174.600 -0.345 0.000 0.981 343 S CA 0.914 58.903 58.200 -0.351 0.000 0.948 343 S CB -0.171 62.777 63.200 -0.420 0.000 0.759 343 S HN 0.546 nan 8.310 nan 0.000 0.531 344 H N -1.100 117.974 119.070 0.007 0.000 2.893 344 H HA 0.386 4.930 4.556 -0.019 0.000 0.270 344 H C -0.047 175.344 175.328 0.104 0.000 1.095 344 H CA -0.054 56.029 56.048 0.059 0.000 1.186 344 H CB 0.407 30.211 29.762 0.071 0.000 1.562 344 H HN 0.240 nan 8.280 nan 0.000 0.536 345 M N 2.116 121.833 119.600 0.195 0.000 2.854 345 M HA 0.182 4.651 4.480 -0.019 0.000 0.203 345 M C -1.940 174.479 176.300 0.199 0.000 1.069 345 M CA -1.579 53.857 55.300 0.226 0.000 0.803 345 M CB 1.533 34.307 32.600 0.289 0.000 1.380 345 M HN -0.017 nan 8.290 nan 0.000 0.494 346 P HA -0.231 nan 4.420 nan 0.000 0.219 346 P C 1.044 178.524 177.300 0.301 0.000 1.146 346 P CA 1.582 64.817 63.100 0.226 0.000 0.808 346 P CB 0.106 31.943 31.700 0.229 0.000 0.779 347 Y N 1.425 121.825 120.300 0.166 0.000 2.184 347 Y HA -0.102 4.437 4.550 -0.019 0.000 0.290 347 Y C 2.374 178.380 175.900 0.177 0.000 1.129 347 Y CA 2.141 60.336 58.100 0.157 0.000 1.144 347 Y CB -0.939 37.588 38.460 0.112 0.000 0.995 347 Y HN -0.115 nan 8.280 nan 0.000 0.513 348 T N -0.347 114.371 114.554 0.273 0.000 2.867 348 T HA -0.163 4.175 4.350 -0.019 0.000 0.268 348 T C 1.327 176.139 174.700 0.186 0.000 1.057 348 T CA 1.575 63.793 62.100 0.197 0.000 1.136 348 T CB -0.313 68.688 68.868 0.221 0.000 0.874 348 T HN 0.335 nan 8.240 nan 0.000 0.466 349 D N 1.127 121.645 120.400 0.198 0.000 2.123 349 D HA 0.076 4.705 4.640 -0.019 0.000 0.200 349 D C 2.284 178.694 176.300 0.184 0.000 0.976 349 D CA 1.020 55.092 54.000 0.120 0.000 0.831 349 D CB -0.328 40.330 40.800 -0.236 0.000 0.974 349 D HN 0.313 nan 8.370 nan 0.000 0.469 350 A N -0.011 122.949 122.820 0.233 0.000 1.908 350 A HA -0.133 4.175 4.320 -0.019 0.000 0.218 350 A C 2.502 180.124 177.584 0.063 0.000 1.181 350 A CA 1.611 53.756 52.037 0.179 0.000 0.627 350 A CB -0.849 18.188 19.000 0.061 0.000 0.818 350 A HN 0.197 nan 8.150 nan 0.000 0.445 351 V N -0.395 119.481 119.914 -0.063 0.000 2.295 351 V HA -0.234 3.875 4.120 -0.019 0.000 0.246 351 V C 2.570 178.742 176.094 0.129 0.000 1.049 351 V CA 2.039 64.327 62.300 -0.021 0.000 1.024 351 V CB -0.758 31.046 31.823 -0.032 0.000 0.648 351 V HN 0.381 nan 8.190 nan 0.000 0.447 352 V N -0.584 119.422 119.914 0.155 0.000 2.427 352 V HA -0.265 3.843 4.120 -0.019 0.000 0.248 352 V C 2.326 178.507 176.094 0.144 0.000 1.051 352 V CA 2.121 64.523 62.300 0.170 0.000 1.048 352 V CB -0.900 31.043 31.823 0.200 0.000 0.666 352 V HN 0.588 nan 8.190 nan 0.000 0.456 353 H N -0.082 118.941 119.070 -0.078 0.000 2.353 353 H HA -0.147 4.398 4.556 -0.019 0.000 0.300 353 H C 2.304 177.642 175.328 0.017 0.000 1.090 353 H CA 1.866 57.745 56.048 -0.283 0.000 1.327 353 H CB -0.026 29.046 29.762 -1.151 0.000 1.383 353 H HN 0.451 nan 8.280 nan 0.000 0.508 354 E N 0.496 120.841 120.200 0.242 0.000 2.152 354 E HA -0.070 4.269 4.350 -0.019 0.000 0.192 354 E C 1.971 178.690 176.600 0.200 0.000 0.983 354 E CA 0.724 57.288 56.400 0.273 0.000 0.818 354 E CB -0.269 29.370 29.700 -0.101 0.000 0.758 354 E HN 0.474 nan 8.360 nan 0.000 0.467 355 I N 0.471 121.201 120.570 0.266 0.000 2.286 355 I HA -0.283 3.876 4.170 -0.019 0.000 0.248 355 I C 2.351 178.542 176.117 0.122 0.000 1.115 355 I CA 1.230 62.697 61.300 0.279 0.000 1.392 355 I CB -0.238 37.892 38.000 0.217 0.000 1.065 355 I HN 0.241 nan 8.210 nan 0.000 0.418 356 Q N -0.092 119.762 119.800 0.091 0.000 2.187 356 Q HA -0.150 4.179 4.340 -0.019 0.000 0.199 356 Q C 2.323 178.228 176.000 -0.159 0.000 0.957 356 Q CA 0.846 56.620 55.803 -0.048 0.000 0.857 356 Q CB 0.001 28.705 28.738 -0.057 0.000 0.929 356 Q HN 0.408 nan 8.270 nan 0.000 0.453 357 R N -0.148 120.301 120.500 -0.085 0.000 2.055 357 R HA -0.169 4.160 4.340 -0.019 0.000 0.228 357 R C 2.166 178.315 176.300 -0.251 0.000 1.143 357 R CA 1.346 57.302 56.100 -0.241 0.000 0.945 357 R CB -0.335 29.834 30.300 -0.218 0.000 0.841 357 R HN 0.243 nan 8.270 nan 0.000 0.429 358 Y N 0.743 120.909 120.300 -0.224 0.000 2.165 358 Y HA -0.234 4.306 4.550 -0.018 0.000 0.286 358 Y C 2.641 178.406 175.900 -0.224 0.000 1.155 358 Y CA 2.116 60.127 58.100 -0.148 0.000 1.164 358 Y CB -0.426 38.045 38.460 0.020 0.000 0.978 358 Y HN 0.117 nan 8.280 nan 0.000 0.513 359 S N -0.009 115.578 115.700 -0.188 0.000 2.400 359 S HA -0.225 4.234 4.470 -0.019 0.000 0.232 359 S C 0.969 175.425 174.600 -0.241 0.000 1.025 359 S CA 1.381 59.284 58.200 -0.494 0.000 0.993 359 S CB -0.826 62.174 63.200 -0.333 0.000 0.808 359 S HN 0.711 nan 8.310 nan 0.000 0.478 360 D N 0.135 120.428 120.400 -0.178 0.000 2.706 360 D HA -0.190 4.438 4.640 -0.019 0.000 0.230 360 D C 0.561 176.835 176.300 -0.043 0.000 1.184 360 D CA 0.721 54.659 54.000 -0.103 0.000 0.628 360 D CB -1.622 39.193 40.800 0.025 0.000 1.019 360 D HN 0.483 nan 8.370 nan 0.000 0.415 361 L N -0.390 120.804 121.223 -0.048 0.000 2.054 361 L HA -0.204 4.125 4.340 -0.019 0.000 0.220 361 L C 0.738 177.624 176.870 0.028 0.000 1.081 361 L CA 1.734 56.584 54.840 0.017 0.000 0.780 361 L CB 0.095 42.145 42.059 -0.016 0.000 0.893 361 L HN 0.171 nan 8.230 nan 0.000 0.438 362 V N 0.120 120.025 119.914 -0.016 0.000 2.305 362 V HA 0.246 4.355 4.120 -0.019 0.000 0.275 362 V C -1.632 174.465 176.094 0.006 0.000 1.020 362 V CA -0.945 61.362 62.300 0.012 0.000 0.811 362 V CB 0.878 32.703 31.823 0.004 0.000 1.031 362 V HN 0.113 nan 8.190 nan 0.000 0.439 363 P HA -0.082 nan 4.420 nan 0.000 0.215 363 P C 1.667 179.009 177.300 0.071 0.000 1.157 363 P CA 1.465 64.598 63.100 0.056 0.000 0.859 363 P CB 0.184 31.924 31.700 0.068 0.000 0.786 364 T N -4.559 110.049 114.554 0.090 0.000 3.129 364 T HA 0.424 4.762 4.350 -0.019 0.000 0.251 364 T C 1.042 175.766 174.700 0.040 0.000 1.117 364 T CA 0.303 62.469 62.100 0.111 0.000 1.034 364 T CB -0.951 68.029 68.868 0.188 0.000 0.968 364 T HN 0.313 nan 8.240 nan 0.000 0.526 365 G N 0.688 109.500 108.800 0.021 0.000 2.642 365 G HA2 -0.107 3.842 3.960 -0.019 0.000 0.231 365 G HA3 -0.107 3.842 3.960 -0.019 0.000 0.231 365 G C -0.680 174.237 174.900 0.028 0.000 1.338 365 G CA -0.455 44.644 45.100 -0.002 0.000 0.883 365 G HN 0.820 nan 8.290 nan 0.000 0.570 366 V N 2.746 122.688 119.914 0.046 0.000 2.628 366 V HA 0.612 4.721 4.120 -0.019 0.000 0.306 366 V C -1.579 174.583 176.094 0.113 0.000 1.045 366 V CA -0.875 61.472 62.300 0.078 0.000 0.905 366 V CB 1.961 33.840 31.823 0.093 0.000 0.997 366 V HN 0.819 nan 8.190 nan 0.000 0.436 367 P HA 0.148 nan 4.420 nan 0.000 0.264 367 P C -0.549 176.841 177.300 0.152 0.000 1.193 367 P CA 0.426 63.559 63.100 0.055 0.000 0.763 367 P CB 0.517 32.205 31.700 -0.020 0.000 0.810 368 H N 0.605 119.623 119.070 -0.086 0.000 2.915 368 H HA 0.776 5.320 4.556 -0.019 0.000 0.298 368 H C -0.395 174.885 175.328 -0.080 0.000 1.516 368 H CA -1.232 54.760 56.048 -0.093 0.000 1.480 368 H CB 2.231 31.953 29.762 -0.067 0.000 1.847 368 H HN 0.549 nan 8.280 nan 0.000 0.806 369 A N 0.609 123.463 122.820 0.056 0.000 2.606 369 A HA 0.457 4.766 4.320 -0.019 0.000 0.293 369 A C -1.158 176.393 177.584 -0.054 0.000 1.082 369 A CA -0.616 51.409 52.037 -0.019 0.000 0.685 369 A CB 1.066 20.021 19.000 -0.075 0.000 1.284 369 A HN 0.399 nan 8.150 nan 0.000 0.408 370 V N -0.173 119.677 119.914 -0.108 0.000 2.481 370 V HA 0.630 4.738 4.120 -0.019 0.000 0.286 370 V C 1.163 177.158 176.094 -0.164 0.000 1.042 370 V CA 0.397 62.563 62.300 -0.224 0.000 0.928 370 V CB 0.365 31.992 31.823 -0.326 0.000 0.986 370 V HN 1.397 nan 8.190 nan 0.000 0.462 371 T N 1.360 115.814 114.554 -0.166 0.000 2.812 371 T HA 0.011 4.350 4.350 -0.019 0.000 0.264 371 T C 0.847 175.494 174.700 -0.088 0.000 1.042 371 T CA 1.336 63.372 62.100 -0.107 0.000 1.140 371 T CB -0.425 68.395 68.868 -0.080 0.000 0.870 371 T HN 1.056 nan 8.240 nan 0.000 0.445 372 T N -0.672 113.820 114.554 -0.104 0.000 2.773 372 T HA 0.485 4.824 4.350 -0.019 0.000 0.278 372 T C -1.320 173.328 174.700 -0.087 0.000 1.011 372 T CA -1.009 61.046 62.100 -0.075 0.000 1.014 372 T CB 1.064 69.899 68.868 -0.055 0.000 1.293 372 T HN -0.042 nan 8.240 nan 0.000 0.554 373 D N 2.616 122.984 120.400 -0.054 0.000 2.348 373 D HA 0.273 4.902 4.640 -0.019 0.000 0.259 373 D C -0.131 176.143 176.300 -0.044 0.000 1.296 373 D CA 0.266 54.242 54.000 -0.039 0.000 0.931 373 D CB 0.198 40.990 40.800 -0.012 0.000 1.067 373 D HN 0.489 nan 8.370 nan 0.000 0.503 374 T N 2.681 117.191 114.554 -0.074 0.000 2.799 374 T HA 0.267 4.606 4.350 -0.019 0.000 0.286 374 T C 0.528 175.266 174.700 0.063 0.000 0.973 374 T CA -0.900 61.160 62.100 -0.066 0.000 1.035 374 T CB 1.437 70.145 68.868 -0.266 0.000 0.932 374 T HN 0.049 nan 8.240 nan 0.000 0.469 375 K N 2.825 123.282 120.400 0.096 0.000 2.281 375 K HA 0.346 4.655 4.320 -0.019 0.000 0.272 375 K C -1.196 175.541 176.600 0.228 0.000 1.048 375 K CA -0.510 55.862 56.287 0.142 0.000 0.898 375 K CB 0.926 33.469 32.500 0.072 0.000 1.128 375 K HN 0.565 nan 8.250 nan 0.000 0.460 376 F N 4.873 124.913 119.950 0.150 0.000 2.375 376 F HA 0.161 4.677 4.527 -0.018 0.000 0.361 376 F C 0.474 176.305 175.800 0.053 0.000 1.117 376 F CA -0.825 57.285 58.000 0.183 0.000 1.037 376 F CB 0.701 39.933 39.000 0.386 0.000 1.192 376 F HN 0.550 nan 8.300 nan 0.000 0.452 377 R N 4.861 125.141 120.500 -0.366 0.000 2.403 377 R HA -0.349 3.980 4.340 -0.019 0.000 0.234 377 R C -0.039 175.938 176.300 -0.538 0.000 0.807 377 R CA 1.312 57.176 56.100 -0.392 0.000 0.615 377 R CB -2.097 27.917 30.300 -0.477 0.000 1.559 377 R HN 1.103 nan 8.270 nan 0.000 0.538 378 N N -1.356 117.088 118.700 -0.427 0.000 2.980 378 N HA -0.208 4.521 4.740 -0.019 0.000 0.213 378 N C -0.972 174.251 175.510 -0.480 0.000 0.892 378 N CA 1.671 54.412 53.050 -0.515 0.000 1.025 378 N CB -0.630 37.419 38.487 -0.729 0.000 1.030 378 N HN 0.703 nan 8.380 nan 0.000 0.585 379 Y N 0.106 120.477 120.300 0.119 0.000 2.605 379 Y HA 0.694 5.234 4.550 -0.017 0.000 0.343 379 Y C -0.325 175.653 175.900 0.130 0.000 1.036 379 Y CA -0.977 57.193 58.100 0.116 0.000 1.065 379 Y CB 1.490 40.023 38.460 0.123 0.000 1.288 379 Y HN -0.087 nan 8.280 nan 0.000 0.481 380 L N 3.257 124.633 121.223 0.256 0.000 2.345 380 L HA 0.547 4.875 4.340 -0.019 0.000 0.274 380 L C -1.354 175.594 176.870 0.131 0.000 0.999 380 L CA -0.473 54.465 54.840 0.164 0.000 0.849 380 L CB 0.498 42.618 42.059 0.103 0.000 1.220 380 L HN 0.618 nan 8.230 nan 0.000 0.422 381 I N 7.734 128.383 120.570 0.131 0.000 2.329 381 I HA 0.216 4.375 4.170 -0.019 0.000 0.295 381 I C -1.787 174.339 176.117 0.015 0.000 1.109 381 I CA -1.688 59.654 61.300 0.071 0.000 1.297 381 I CB 0.489 38.551 38.000 0.103 0.000 1.433 381 I HN 0.391 nan 8.210 nan 0.000 0.509 382 P HA -0.030 nan 4.420 nan 0.000 0.269 382 P C -0.405 176.874 177.300 -0.036 0.000 1.215 382 P CA -0.383 62.711 63.100 -0.010 0.000 0.780 382 P CB 0.787 32.486 31.700 -0.001 0.000 0.898 383 K N 1.120 121.494 120.400 -0.043 0.000 2.527 383 K HA 0.093 4.402 4.320 -0.019 0.000 0.278 383 K C 1.166 177.734 176.600 -0.054 0.000 0.981 383 K CA 0.980 57.231 56.287 -0.060 0.000 1.009 383 K CB -0.715 31.755 32.500 -0.050 0.000 0.895 383 K HN 0.792 nan 8.250 nan 0.000 0.493 384 G N 2.195 110.956 108.800 -0.066 0.000 2.241 384 G HA2 -0.256 3.693 3.960 -0.019 0.000 0.244 384 G HA3 -0.256 3.693 3.960 -0.019 0.000 0.244 384 G C 0.150 175.014 174.900 -0.060 0.000 0.998 384 G CA 0.384 45.449 45.100 -0.059 0.000 0.621 384 G HN 0.715 nan 8.290 nan 0.000 0.519 385 T N 2.936 117.454 114.554 -0.059 0.000 2.908 385 T HA 0.417 4.756 4.350 -0.019 0.000 0.301 385 T C 0.839 175.506 174.700 -0.054 0.000 1.019 385 T CA 1.043 63.104 62.100 -0.064 0.000 1.152 385 T CB 0.843 69.676 68.868 -0.057 0.000 0.966 385 T HN 0.341 nan 8.240 nan 0.000 0.540 386 T N 5.156 119.663 114.554 -0.077 0.000 2.919 386 T HA 0.296 4.635 4.350 -0.019 0.000 0.302 386 T C 0.360 175.032 174.700 -0.047 0.000 1.031 386 T CA -0.424 61.633 62.100 -0.072 0.000 1.127 386 T CB 0.218 69.012 68.868 -0.124 0.000 0.952 386 T HN 0.270 nan 8.240 nan 0.000 0.540 387 I N 2.257 122.827 120.570 -0.000 0.000 2.910 387 I HA 0.622 4.781 4.170 -0.019 0.000 0.310 387 I C -0.222 175.850 176.117 -0.074 0.000 1.043 387 I CA -1.282 60.033 61.300 0.024 0.000 1.053 387 I CB 1.932 40.010 38.000 0.129 0.000 1.242 387 I HN 0.637 nan 8.210 nan 0.000 0.452 388 M N 2.992 122.525 119.600 -0.111 0.000 2.234 388 M HA 0.561 5.029 4.480 -0.019 0.000 0.267 388 M C -1.397 174.797 176.300 -0.177 0.000 1.022 388 M CA -0.136 55.059 55.300 -0.176 0.000 0.993 388 M CB 1.743 34.184 32.600 -0.265 0.000 1.836 388 M HN 0.606 nan 8.290 nan 0.000 0.479 389 A N 5.450 128.134 122.820 -0.226 0.000 2.253 389 A HA 0.668 4.977 4.320 -0.019 0.000 0.316 389 A C -0.723 176.781 177.584 -0.133 0.000 1.327 389 A CA -0.560 51.345 52.037 -0.219 0.000 0.917 389 A CB 0.093 18.891 19.000 -0.336 0.000 1.162 389 A HN 0.890 nan 8.150 nan 0.000 0.535 390 L N 4.594 125.764 121.223 -0.087 0.000 2.536 390 L HA 0.053 4.382 4.340 -0.019 0.000 0.282 390 L C 1.037 177.887 176.870 -0.033 0.000 1.174 390 L CA -0.201 54.628 54.840 -0.018 0.000 0.989 390 L CB -0.039 42.054 42.059 0.057 0.000 1.311 390 L HN 0.802 nan 8.230 nan 0.000 0.455 391 L N 1.268 122.472 121.223 -0.031 0.000 2.261 391 L HA -0.197 4.132 4.340 -0.019 0.000 0.216 391 L C 2.293 179.168 176.870 0.008 0.000 1.114 391 L CA 1.117 55.936 54.840 -0.035 0.000 0.777 391 L CB -0.768 41.256 42.059 -0.059 0.000 0.910 391 L HN 0.657 nan 8.230 nan 0.000 0.440 392 T N -0.545 114.045 114.554 0.060 0.000 2.708 392 T HA -0.187 4.152 4.350 -0.019 0.000 0.266 392 T C 2.132 176.962 174.700 0.217 0.000 1.037 392 T CA 1.733 63.944 62.100 0.186 0.000 1.146 392 T CB -0.341 68.617 68.868 0.150 0.000 0.865 392 T HN 0.580 nan 8.240 nan 0.000 0.435 393 S N 1.276 117.002 115.700 0.043 0.000 2.419 393 S HA -0.085 4.374 4.470 -0.019 0.000 0.235 393 S C 2.111 176.757 174.600 0.077 0.000 1.019 393 S CA 0.916 59.077 58.200 -0.065 0.000 0.982 393 S CB -0.848 61.973 63.200 -0.631 0.000 0.789 393 S HN 0.334 nan 8.310 nan 0.000 0.490 394 V N 1.715 121.690 119.914 0.101 0.000 2.446 394 V HA 0.083 4.192 4.120 -0.019 0.000 0.244 394 V C 2.421 178.706 176.094 0.318 0.000 1.039 394 V CA 1.169 63.609 62.300 0.232 0.000 1.045 394 V CB -0.702 31.210 31.823 0.149 0.000 0.681 394 V HN 0.446 nan 8.190 nan 0.000 0.459 395 L N -0.411 120.875 121.223 0.105 0.000 2.275 395 L HA -0.083 4.246 4.340 -0.019 0.000 0.215 395 L C 1.903 178.578 176.870 -0.325 0.000 1.119 395 L CA 1.170 55.921 54.840 -0.149 0.000 0.790 395 L CB -0.484 41.337 42.059 -0.396 0.000 0.919 395 L HN 0.496 nan 8.230 nan 0.000 0.443 396 H N -1.661 117.461 119.070 0.088 0.000 2.528 396 H HA 0.140 4.685 4.556 -0.018 0.000 0.282 396 H C -0.006 175.421 175.328 0.164 0.000 1.097 396 H CA -0.411 55.682 56.048 0.076 0.000 1.121 396 H CB 0.352 30.125 29.762 0.018 0.000 1.590 396 H HN 0.233 nan 8.280 nan 0.000 0.553 397 D N 1.775 122.371 120.400 0.327 0.000 2.525 397 D HA -0.103 4.525 4.640 -0.019 0.000 0.235 397 D C 0.564 176.925 176.300 0.102 0.000 1.137 397 D CA 0.345 54.466 54.000 0.202 0.000 0.868 397 D CB 1.170 42.072 40.800 0.169 0.000 1.180 397 D HN 0.227 nan 8.370 nan 0.000 0.465 398 D N 3.441 123.881 120.400 0.067 0.000 2.084 398 D HA -0.121 4.508 4.640 -0.019 0.000 0.196 398 D C 1.795 178.066 176.300 -0.049 0.000 0.985 398 D CA 1.116 55.138 54.000 0.037 0.000 0.826 398 D CB 0.244 41.073 40.800 0.049 0.000 0.978 398 D HN 0.502 nan 8.370 nan 0.000 0.456 399 K N 0.505 120.842 120.400 -0.105 0.000 2.057 399 K HA -0.179 4.130 4.320 -0.019 0.000 0.207 399 K C 2.081 178.482 176.600 -0.331 0.000 1.049 399 K CA 1.038 57.222 56.287 -0.172 0.000 0.931 399 K CB -0.053 32.357 32.500 -0.149 0.000 0.714 399 K HN -0.016 nan 8.250 nan 0.000 0.440 400 E N 0.375 120.220 120.200 -0.591 0.000 2.072 400 E HA -0.073 4.265 4.350 -0.019 0.000 0.191 400 E C -0.251 175.766 176.600 -0.971 0.000 0.985 400 E CA 1.079 56.852 56.400 -1.046 0.000 0.801 400 E CB 0.192 28.739 29.700 -1.922 0.000 0.750 400 E HN 0.193 nan 8.360 nan 0.000 0.452 401 F N 0.633 120.441 119.950 -0.237 0.000 2.564 401 F HA 0.393 4.908 4.527 -0.019 0.000 0.361 401 F C -2.229 173.589 175.800 0.029 0.000 1.161 401 F CA -2.722 55.208 58.000 -0.117 0.000 1.198 401 F CB 1.680 40.448 39.000 -0.386 0.000 1.424 401 F HN -0.219 nan 8.300 nan 0.000 0.517 402 P HA -0.050 nan 4.420 nan 0.000 0.261 402 P C -0.181 177.259 177.300 0.233 0.000 1.183 402 P CA 0.608 63.785 63.100 0.130 0.000 0.761 402 P CB 0.277 31.994 31.700 0.029 0.000 0.785 403 N N 2.124 120.926 118.700 0.170 0.000 2.726 403 N HA -0.119 4.610 4.740 -0.019 0.000 0.253 403 N C -1.617 174.043 175.510 0.250 0.000 1.059 403 N CA 0.232 53.387 53.050 0.175 0.000 0.701 403 N CB -0.872 37.695 38.487 0.135 0.000 0.899 403 N HN 0.453 nan 8.380 nan 0.000 0.548 404 P HA -0.077 nan 4.420 nan 0.000 0.250 404 P C 0.159 177.579 177.300 0.201 0.000 1.239 404 P CA 1.008 64.183 63.100 0.125 0.000 0.756 404 P CB -0.127 31.677 31.700 0.173 0.000 1.013 405 N N -1.215 117.616 118.700 0.217 0.000 2.181 405 N HA 0.120 4.849 4.740 -0.019 0.000 0.207 405 N C 0.125 175.857 175.510 0.370 0.000 1.182 405 N CA -0.454 52.737 53.050 0.235 0.000 0.893 405 N CB 0.398 38.964 38.487 0.133 0.000 1.032 405 N HN 0.074 nan 8.380 nan 0.000 0.513 406 I N 0.354 121.128 120.570 0.339 0.000 2.460 406 I HA 0.334 4.492 4.170 -0.019 0.000 0.298 406 I C -0.845 175.459 176.117 0.312 0.000 0.989 406 I CA -1.457 60.047 61.300 0.340 0.000 1.173 406 I CB 0.588 38.726 38.000 0.231 0.000 1.338 406 I HN -0.114 nan 8.210 nan 0.000 0.456 407 F N 6.556 126.493 119.950 -0.023 0.000 2.538 407 F HA 0.375 4.891 4.527 -0.019 0.000 0.371 407 F C -0.389 175.390 175.800 -0.034 0.000 1.087 407 F CA 0.512 58.371 58.000 -0.234 0.000 1.250 407 F CB 0.183 38.757 39.000 -0.711 0.000 1.110 407 F HN 0.588 nan 8.300 nan 0.000 0.570 408 D N 7.354 127.405 120.400 -0.582 0.000 2.369 408 D HA 0.238 4.866 4.640 -0.019 0.000 0.212 408 D C -2.452 173.609 176.300 -0.397 0.000 1.326 408 D CA -1.274 52.506 54.000 -0.367 0.000 0.933 408 D CB 1.687 42.354 40.800 -0.222 0.000 1.516 408 D HN 0.106 nan 8.370 nan 0.000 0.557 409 P HA 0.016 nan 4.420 nan 0.000 0.221 409 P C 1.457 178.681 177.300 -0.126 0.000 1.145 409 P CA 1.134 64.079 63.100 -0.258 0.000 0.795 409 P CB 0.279 31.747 31.700 -0.387 0.000 0.775 410 G N -1.349 107.356 108.800 -0.158 0.000 2.527 410 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.219 410 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.219 410 G C 1.001 175.762 174.900 -0.232 0.000 1.117 410 G CA 0.577 45.583 45.100 -0.157 0.000 0.759 410 G HN 0.387 nan 8.290 nan 0.000 0.556 411 H N -1.373 117.544 119.070 -0.254 0.000 2.521 411 H HA 0.100 4.645 4.556 -0.018 0.000 0.286 411 H C 0.743 175.673 175.328 -0.663 0.000 1.034 411 H CA 0.749 56.551 56.048 -0.411 0.000 1.278 411 H CB 0.067 29.488 29.762 -0.568 0.000 1.386 411 H HN 0.459 nan 8.280 nan 0.000 0.567 412 F N -0.565 119.345 119.950 -0.066 0.000 2.764 412 F HA 0.251 4.767 4.527 -0.019 0.000 0.310 412 F C -0.516 175.018 175.800 -0.444 0.000 1.124 412 F CA -0.343 57.456 58.000 -0.335 0.000 1.252 412 F CB 0.680 39.388 39.000 -0.487 0.000 1.010 412 F HN -0.070 nan 8.300 nan 0.000 0.518 413 L N 0.321 121.467 121.223 -0.128 0.000 2.279 413 L HA 0.517 4.845 4.340 -0.019 0.000 0.262 413 L C -0.279 176.541 176.870 -0.083 0.000 1.019 413 L CA -0.821 53.970 54.840 -0.082 0.000 0.823 413 L CB 1.442 43.504 42.059 0.005 0.000 1.358 413 L HN 0.082 nan 8.230 nan 0.000 0.432 414 D N -0.784 119.589 120.400 -0.045 0.000 2.621 414 D HA 0.325 4.954 4.640 -0.019 0.000 0.255 414 D C 0.609 176.895 176.300 -0.023 0.000 1.122 414 D CA -0.566 53.408 54.000 -0.043 0.000 1.096 414 D CB 0.615 41.394 40.800 -0.036 0.000 1.282 414 D HN 0.308 nan 8.370 nan 0.000 0.619 415 K N 0.984 121.370 120.400 -0.024 0.000 2.032 415 K HA -0.294 4.015 4.320 -0.019 0.000 0.218 415 K C 1.320 177.917 176.600 -0.005 0.000 1.054 415 K CA 2.014 58.291 56.287 -0.017 0.000 0.941 415 K CB -1.479 31.012 32.500 -0.016 0.000 0.720 415 K HN 0.576 nan 8.250 nan 0.000 0.449 416 N N -0.036 118.665 118.700 0.002 0.000 2.135 416 N HA -0.011 4.718 4.740 -0.019 0.000 0.186 416 N C 1.221 176.744 175.510 0.021 0.000 1.027 416 N CA 1.465 54.521 53.050 0.010 0.000 0.849 416 N CB 0.057 38.553 38.487 0.014 0.000 1.002 416 N HN 0.577 nan 8.380 nan 0.000 0.425 417 G N -1.024 107.796 108.800 0.034 0.000 2.456 417 G HA2 -0.137 3.811 3.960 -0.019 0.000 0.208 417 G HA3 -0.137 3.811 3.960 -0.019 0.000 0.208 417 G C -0.769 174.187 174.900 0.092 0.000 1.004 417 G CA -0.672 44.467 45.100 0.065 0.000 0.791 417 G HN 0.055 nan 8.290 nan 0.000 0.537 418 N N 0.300 119.044 118.700 0.072 0.000 2.513 418 N HA 0.441 5.170 4.740 -0.019 0.000 0.274 418 N C -0.175 175.398 175.510 0.106 0.000 1.189 418 N CA -0.432 52.679 53.050 0.101 0.000 0.975 418 N CB 0.783 39.317 38.487 0.078 0.000 1.157 418 N HN 0.156 nan 8.380 nan 0.000 0.465 419 F N 1.302 121.260 119.950 0.013 0.000 2.578 419 F HA 0.017 4.533 4.527 -0.019 0.000 0.376 419 F C 0.828 176.622 175.800 -0.009 0.000 1.085 419 F CA 0.209 58.199 58.000 -0.017 0.000 1.260 419 F CB 0.465 39.414 39.000 -0.085 0.000 1.095 419 F HN 0.238 nan 8.300 nan 0.000 0.573 420 K N 6.379 126.337 120.400 -0.738 0.000 2.389 420 K HA 0.245 4.554 4.320 -0.019 0.000 0.261 420 K C -0.658 175.616 176.600 -0.543 0.000 1.014 420 K CA -0.974 55.060 56.287 -0.421 0.000 0.920 420 K CB 0.802 33.159 32.500 -0.239 0.000 1.149 420 K HN 0.556 nan 8.250 nan 0.000 0.444 421 K N 1.759 122.074 120.400 -0.141 0.000 2.168 421 K HA 0.203 4.512 4.320 -0.019 0.000 0.258 421 K C -1.007 175.696 176.600 0.172 0.000 1.010 421 K CA -0.042 56.328 56.287 0.139 0.000 0.929 421 K CB 1.410 34.071 32.500 0.269 0.000 0.998 421 K HN 0.390 nan 8.250 nan 0.000 0.479 422 S N 1.997 117.898 115.700 0.334 0.000 2.571 422 S HA 0.288 4.747 4.470 -0.019 0.000 0.284 422 S C -0.615 174.240 174.600 0.425 0.000 1.128 422 S CA -0.773 57.641 58.200 0.357 0.000 0.970 422 S CB 0.930 64.421 63.200 0.485 0.000 1.039 422 S HN 0.610 nan 8.310 nan 0.000 0.485 423 D N 2.580 123.179 120.400 0.331 0.000 2.378 423 D HA 0.034 4.663 4.640 -0.019 0.000 0.222 423 D C 0.375 176.868 176.300 0.321 0.000 0.980 423 D CA 1.011 55.189 54.000 0.298 0.000 0.907 423 D CB -0.082 40.844 40.800 0.210 0.000 0.899 423 D HN 0.637 nan 8.370 nan 0.000 0.527 424 Y N -0.879 119.549 120.300 0.213 0.000 2.466 424 Y HA 0.162 4.701 4.550 -0.019 0.000 0.272 424 Y C 0.350 176.513 175.900 0.439 0.000 1.169 424 Y CA -0.640 57.627 58.100 0.278 0.000 1.285 424 Y CB -0.309 38.214 38.460 0.104 0.000 1.078 424 Y HN -0.139 nan 8.280 nan 0.000 0.523 425 F N 1.807 122.045 119.950 0.480 0.000 2.434 425 F HA 0.248 4.764 4.527 -0.018 0.000 0.358 425 F C 0.448 176.389 175.800 0.234 0.000 1.136 425 F CA 0.114 58.339 58.000 0.374 0.000 1.157 425 F CB 0.110 39.350 39.000 0.400 0.000 1.167 425 F HN -0.047 nan 8.300 nan 0.000 0.539 426 M N 8.107 127.579 119.600 -0.214 0.000 2.848 426 M HA 0.145 4.614 4.480 -0.019 0.000 0.420 426 M C -1.834 174.306 176.300 -0.266 0.000 1.304 426 M CA -0.795 54.428 55.300 -0.128 0.000 0.844 426 M CB 0.596 33.191 32.600 -0.009 0.000 1.451 426 M HN 0.256 nan 8.290 nan 0.000 0.511 427 P HA -0.034 nan 4.420 nan 0.000 0.239 427 P C 0.405 177.394 177.300 -0.519 0.000 1.184 427 P CA 1.089 63.854 63.100 -0.559 0.000 0.760 427 P CB -0.088 31.145 31.700 -0.778 0.000 0.884 428 F N -0.759 119.131 119.950 -0.100 0.000 2.654 428 F HA 0.307 4.823 4.527 -0.019 0.000 0.303 428 F C 1.443 177.246 175.800 0.005 0.000 1.099 428 F CA -0.103 57.887 58.000 -0.017 0.000 1.270 428 F CB -0.241 38.775 39.000 0.027 0.000 1.024 428 F HN -0.113 nan 8.300 nan 0.000 0.548 429 S N 0.155 115.914 115.700 0.098 0.000 3.630 429 S HA 0.133 4.592 4.470 -0.019 0.000 0.634 429 S C -0.363 174.293 174.600 0.093 0.000 2.333 429 S CA 0.042 58.283 58.200 0.067 0.000 2.607 429 S CB -1.033 62.226 63.200 0.098 0.000 0.329 429 S HN 1.135 nan 8.310 nan 0.000 1.712 430 A N -0.345 122.516 122.820 0.069 0.000 2.564 430 A HA 0.866 5.175 4.320 -0.019 0.000 0.291 430 A C 0.866 178.491 177.584 0.069 0.000 1.102 430 A CA 0.832 52.909 52.037 0.067 0.000 0.660 430 A CB 0.319 19.333 19.000 0.023 0.000 1.283 430 A HN 2.947 nan 8.150 nan 0.000 0.430 431 G N 0.236 109.076 108.800 0.067 0.000 2.601 431 G HA2 -0.133 3.815 3.960 -0.019 0.000 0.252 431 G HA3 -0.133 3.815 3.960 -0.019 0.000 0.252 431 G C 0.647 175.622 174.900 0.125 0.000 1.294 431 G CA 0.889 46.036 45.100 0.079 0.000 0.912 431 G HN 1.365 nan 8.290 nan 0.000 0.574 432 K N -0.216 120.276 120.400 0.152 0.000 2.107 432 K HA -0.116 4.193 4.320 -0.019 0.000 0.211 432 K C 2.359 179.137 176.600 0.297 0.000 1.049 432 K CA 2.219 58.638 56.287 0.221 0.000 0.927 432 K CB -0.121 32.536 32.500 0.262 0.000 0.714 432 K HN 0.389 nan 8.250 nan 0.000 0.452 433 R N 0.169 120.817 120.500 0.246 0.000 2.515 433 R HA 0.192 4.520 4.340 -0.019 0.000 0.294 433 R C 0.204 176.624 176.300 0.199 0.000 1.021 433 R CA -0.304 55.943 56.100 0.245 0.000 1.081 433 R CB -0.280 30.033 30.300 0.023 0.000 1.263 433 R HN 0.253 nan 8.270 nan 0.000 0.557 434 I N 0.809 121.481 120.570 0.170 0.000 2.932 434 I HA -0.186 3.972 4.170 -0.019 0.000 0.295 434 I C 0.713 176.906 176.117 0.126 0.000 1.227 434 I CA 0.242 61.629 61.300 0.145 0.000 1.429 434 I CB 0.614 38.682 38.000 0.114 0.000 1.339 434 I HN 0.194 nan 8.210 nan 0.000 0.589 435 C N 7.615 126.999 119.300 0.139 0.000 2.106 435 C HA -0.030 4.418 4.460 -0.019 0.000 0.402 435 C C 1.798 176.794 174.990 0.009 0.000 1.548 435 C CA 0.240 59.321 59.018 0.104 0.000 1.432 435 C CB -1.348 26.497 27.740 0.176 0.000 2.584 435 C HN 0.929 nan 8.230 nan 0.000 0.604 436 A N 4.530 127.369 122.820 0.032 0.000 2.070 436 A HA 0.085 4.394 4.320 -0.019 0.000 0.220 436 A C 1.946 179.494 177.584 -0.060 0.000 1.159 436 A CA 1.697 53.732 52.037 -0.004 0.000 0.656 436 A CB -0.375 18.636 19.000 0.017 0.000 0.800 436 A HN 1.324 nan 8.150 nan 0.000 0.453 437 G N -1.072 107.686 108.800 -0.069 0.000 3.605 437 G HA2 0.235 4.183 3.960 -0.019 0.000 0.277 437 G HA3 0.235 4.183 3.960 -0.019 0.000 0.277 437 G C 0.833 175.620 174.900 -0.188 0.000 1.093 437 G CA 0.555 45.592 45.100 -0.105 0.000 0.821 437 G HN 0.597 nan 8.290 nan 0.000 0.532 438 E N 0.752 120.761 120.200 -0.318 0.000 2.035 438 E HA -0.162 4.177 4.350 -0.019 0.000 0.204 438 E C 2.582 178.888 176.600 -0.489 0.000 1.025 438 E CA 1.549 57.524 56.400 -0.708 0.000 0.835 438 E CB -0.461 28.824 29.700 -0.692 0.000 0.764 438 E HN 0.277 nan 8.360 nan 0.000 0.457 439 G N 1.524 110.144 108.800 -0.300 0.000 2.505 439 G HA2 -0.306 3.643 3.960 -0.019 0.000 0.220 439 G HA3 -0.306 3.643 3.960 -0.019 0.000 0.220 439 G C 1.525 176.328 174.900 -0.163 0.000 1.145 439 G CA 1.164 46.139 45.100 -0.208 0.000 0.761 439 G HN 0.348 nan 8.290 nan 0.000 0.571 440 L N 1.526 122.662 121.223 -0.145 0.000 2.017 440 L HA 0.133 4.462 4.340 -0.019 0.000 0.208 440 L C 3.034 179.866 176.870 -0.063 0.000 1.073 440 L CA 2.256 57.032 54.840 -0.107 0.000 0.745 440 L CB -1.120 40.878 42.059 -0.101 0.000 0.894 440 L HN 0.259 nan 8.230 nan 0.000 0.432 441 A N 0.042 122.838 122.820 -0.039 0.000 1.851 441 A HA -0.239 4.070 4.320 -0.019 0.000 0.216 441 A C 2.325 179.978 177.584 0.115 0.000 1.195 441 A CA 1.998 54.090 52.037 0.091 0.000 0.622 441 A CB -0.653 18.503 19.000 0.260 0.000 0.831 441 A HN 0.537 nan 8.150 nan 0.000 0.444 442 R N -1.215 119.319 120.500 0.057 0.000 2.159 442 R HA -0.141 4.187 4.340 -0.019 0.000 0.237 442 R C 2.201 178.535 176.300 0.056 0.000 1.131 442 R CA 1.507 57.650 56.100 0.072 0.000 0.982 442 R CB -0.600 29.683 30.300 -0.029 0.000 0.868 442 R HN 0.711 nan 8.270 nan 0.000 0.453 443 M N 0.987 120.577 119.600 -0.015 0.000 2.077 443 M HA -0.140 4.329 4.480 -0.019 0.000 0.261 443 M C 1.899 178.154 176.300 -0.074 0.000 1.070 443 M CA 1.675 56.948 55.300 -0.045 0.000 1.125 443 M CB 0.016 32.552 32.600 -0.105 0.000 1.339 443 M HN 0.055 nan 8.290 nan 0.000 0.409 444 E N 0.361 120.504 120.200 -0.095 0.000 2.070 444 E HA -0.240 4.099 4.350 -0.019 0.000 0.197 444 E C 2.019 178.636 176.600 0.029 0.000 1.004 444 E CA 1.663 57.954 56.400 -0.181 0.000 0.805 444 E CB -0.429 29.345 29.700 0.123 0.000 0.744 444 E HN 0.553 nan 8.360 nan 0.000 0.451 445 L N -0.094 121.224 121.223 0.158 0.000 2.005 445 L HA -0.146 4.183 4.340 -0.019 0.000 0.207 445 L C 2.548 179.516 176.870 0.164 0.000 1.072 445 L CA 1.069 56.034 54.840 0.208 0.000 0.744 445 L CB -0.501 41.676 42.059 0.197 0.000 0.895 445 L HN 0.070 nan 8.230 nan 0.000 0.433 446 F N 0.605 120.572 119.950 0.028 0.000 2.134 446 F HA -0.220 4.295 4.527 -0.019 0.000 0.299 446 F C 2.200 178.001 175.800 0.002 0.000 1.097 446 F CA 1.528 59.537 58.000 0.015 0.000 1.264 446 F CB -0.084 38.903 39.000 -0.022 0.000 1.001 446 F HN -0.128 nan 8.300 nan 0.000 0.479 447 L N -1.238 120.021 121.223 0.059 0.000 2.023 447 L HA -0.195 4.134 4.340 -0.019 0.000 0.205 447 L C 2.470 179.298 176.870 -0.069 0.000 1.073 447 L CA 1.032 55.833 54.840 -0.066 0.000 0.745 447 L CB -0.881 41.089 42.059 -0.149 0.000 0.900 447 L HN 0.062 nan 8.230 nan 0.000 0.435 448 F N 0.296 120.258 119.950 0.019 0.000 2.065 448 F HA -0.256 4.260 4.527 -0.019 0.000 0.298 448 F C 2.371 178.167 175.800 -0.005 0.000 1.112 448 F CA 1.297 59.308 58.000 0.018 0.000 1.212 448 F CB -1.038 37.984 39.000 0.037 0.000 0.975 448 F HN -0.067 nan 8.300 nan 0.000 0.476 449 L N -0.425 120.900 121.223 0.169 0.000 1.955 449 L HA -0.268 4.061 4.340 -0.019 0.000 0.213 449 L C 2.697 179.566 176.870 -0.002 0.000 1.072 449 L CA 2.236 57.121 54.840 0.075 0.000 0.755 449 L CB -1.495 40.587 42.059 0.039 0.000 0.888 449 L HN 0.287 nan 8.230 nan 0.000 0.432 450 T N -4.165 110.288 114.554 -0.170 0.000 2.737 450 T HA -0.212 4.126 4.350 -0.019 0.000 0.269 450 T C 1.716 176.381 174.700 -0.059 0.000 1.040 450 T CA 1.952 63.940 62.100 -0.188 0.000 1.142 450 T CB -0.871 67.738 68.868 -0.432 0.000 0.861 450 T HN 0.275 nan 8.240 nan 0.000 0.456 451 T N 1.816 116.363 114.554 -0.013 0.000 2.821 451 T HA 0.186 4.525 4.350 -0.019 0.000 0.267 451 T C 1.930 176.664 174.700 0.058 0.000 1.046 451 T CA 1.066 63.189 62.100 0.039 0.000 1.139 451 T CB -0.355 68.572 68.868 0.098 0.000 0.871 451 T HN 0.412 nan 8.240 nan 0.000 0.454 452 I N 0.718 121.355 120.570 0.113 0.000 2.286 452 I HA -0.038 4.121 4.170 -0.019 0.000 0.245 452 I C 1.866 178.109 176.117 0.209 0.000 1.104 452 I CA 1.156 62.574 61.300 0.196 0.000 1.397 452 I CB -0.240 37.881 38.000 0.203 0.000 1.072 452 I HN 0.180 nan 8.210 nan 0.000 0.417 453 L N 0.270 121.576 121.223 0.138 0.000 2.610 453 L HA -0.071 4.258 4.340 -0.019 0.000 0.232 453 L C 2.306 179.216 176.870 0.066 0.000 1.149 453 L CA 0.473 55.389 54.840 0.127 0.000 0.872 453 L CB -0.383 41.739 42.059 0.105 0.000 0.992 453 L HN 0.384 nan 8.230 nan 0.000 0.447 454 Q N 0.165 119.976 119.800 0.017 0.000 2.339 454 Q HA -0.065 4.263 4.340 -0.019 0.000 0.205 454 Q C 1.300 177.253 176.000 -0.078 0.000 0.925 454 Q CA 0.823 56.612 55.803 -0.022 0.000 0.898 454 Q CB 0.438 29.159 28.738 -0.029 0.000 1.013 454 Q HN 0.499 nan 8.270 nan 0.000 0.504 455 N N -1.163 117.442 118.700 -0.158 0.000 2.508 455 N HA 0.107 4.836 4.740 -0.019 0.000 0.186 455 N C -0.317 174.970 175.510 -0.372 0.000 1.034 455 N CA 0.575 53.399 53.050 -0.377 0.000 0.885 455 N CB 0.287 38.339 38.487 -0.725 0.000 1.135 455 N HN -0.001 nan 8.380 nan 0.000 0.435 456 F N 0.335 120.328 119.950 0.072 0.000 2.452 456 F HA 0.480 4.996 4.527 -0.019 0.000 0.353 456 F C 0.208 176.073 175.800 0.108 0.000 1.089 456 F CA -0.883 57.184 58.000 0.112 0.000 1.080 456 F CB 0.586 39.703 39.000 0.195 0.000 1.399 456 F HN -0.232 nan 8.300 nan 0.000 0.492 457 N N -0.689 118.235 118.700 0.374 0.000 2.284 457 N HA 0.601 5.330 4.740 -0.019 0.000 0.289 457 N C -1.941 173.666 175.510 0.161 0.000 1.179 457 N CA -0.775 52.400 53.050 0.208 0.000 0.774 457 N CB 2.188 40.761 38.487 0.143 0.000 1.548 457 N HN 0.279 nan 8.380 nan 0.000 0.473 458 L N 1.733 123.011 121.223 0.091 0.000 2.282 458 L HA 0.527 4.856 4.340 -0.019 0.000 0.288 458 L C -0.182 176.671 176.870 -0.029 0.000 1.033 458 L CA -0.351 54.491 54.840 0.004 0.000 0.807 458 L CB 1.234 43.301 42.059 0.013 0.000 1.209 458 L HN 0.414 nan 8.230 nan 0.000 0.423 459 K N 1.537 121.887 120.400 -0.084 0.000 2.477 459 K HA 0.649 4.958 4.320 -0.019 0.000 0.255 459 K C -1.255 175.289 176.600 -0.093 0.000 0.952 459 K CA -0.425 55.822 56.287 -0.066 0.000 0.826 459 K CB 2.536 35.010 32.500 -0.043 0.000 1.331 459 K HN 0.520 nan 8.250 nan 0.000 0.437 460 S N 0.677 116.339 115.700 -0.062 0.000 2.634 460 S HA 0.388 4.847 4.470 -0.019 0.000 0.296 460 S C -0.359 174.217 174.600 -0.039 0.000 1.104 460 S CA -0.761 57.407 58.200 -0.054 0.000 0.920 460 S CB 1.525 64.700 63.200 -0.041 0.000 1.111 460 S HN 0.357 nan 8.310 nan 0.000 0.493 461 V N 1.649 121.544 119.914 -0.033 0.000 3.219 461 V HA 0.462 4.571 4.120 -0.019 0.000 0.377 461 V C -0.042 176.042 176.094 -0.017 0.000 1.275 461 V CA -0.160 62.125 62.300 -0.025 0.000 1.366 461 V CB -1.420 30.388 31.823 -0.025 0.000 1.282 461 V HN 0.699 nan 8.190 nan 0.000 0.487 462 D N -0.567 119.822 120.400 -0.018 0.000 2.766 462 D HA 0.104 4.733 4.640 -0.019 0.000 0.244 462 D C -1.403 174.886 176.300 -0.019 0.000 1.198 462 D CA -0.500 53.491 54.000 -0.015 0.000 0.739 462 D CB 2.198 42.991 40.800 -0.011 0.000 1.379 462 D HN 0.135 nan 8.370 nan 0.000 0.437 463 D N 1.638 122.028 120.400 -0.017 0.000 2.419 463 D HA 0.063 4.692 4.640 -0.019 0.000 0.236 463 D C 1.576 177.860 176.300 -0.026 0.000 1.165 463 D CA 0.011 53.999 54.000 -0.020 0.000 0.882 463 D CB 1.053 41.843 40.800 -0.017 0.000 1.201 463 D HN 0.339 nan 8.370 nan 0.000 0.443 464 L N 1.372 122.575 121.223 -0.033 0.000 2.549 464 L HA -0.181 4.148 4.340 -0.019 0.000 0.230 464 L C 2.104 178.948 176.870 -0.043 0.000 1.162 464 L CA 0.816 55.629 54.840 -0.045 0.000 0.834 464 L CB -0.360 41.665 42.059 -0.057 0.000 0.947 464 L HN 0.203 nan 8.230 nan 0.000 0.452 465 K N 0.569 120.950 120.400 -0.031 0.000 2.305 465 K HA -0.015 4.293 4.320 -0.019 0.000 0.199 465 K C 1.152 177.742 176.600 -0.016 0.000 1.047 465 K CA 0.667 56.940 56.287 -0.024 0.000 0.976 465 K CB 0.091 32.580 32.500 -0.019 0.000 0.765 465 K HN 0.146 nan 8.250 nan 0.000 0.474 466 N N -0.146 118.544 118.700 -0.016 0.000 2.314 466 N HA 0.080 4.809 4.740 -0.019 0.000 0.200 466 N C -1.156 174.347 175.510 -0.012 0.000 1.135 466 N CA 0.042 53.086 53.050 -0.010 0.000 0.835 466 N CB 0.339 38.821 38.487 -0.009 0.000 0.989 466 N HN 0.005 nan 8.380 nan 0.000 0.478 467 L N 1.390 122.601 121.223 -0.021 0.000 2.337 467 L HA 0.351 4.680 4.340 -0.019 0.000 0.269 467 L C -0.430 176.426 176.870 -0.023 0.000 1.018 467 L CA -0.807 54.013 54.840 -0.033 0.000 0.876 467 L CB 0.282 42.305 42.059 -0.059 0.000 1.236 467 L HN 0.193 nan 8.230 nan 0.000 0.436 468 N N 0.716 119.412 118.700 -0.007 0.000 2.513 468 N HA 0.475 5.203 4.740 -0.019 0.000 0.274 468 N C -0.107 175.422 175.510 0.031 0.000 1.189 468 N CA -0.082 52.983 53.050 0.025 0.000 0.975 468 N CB 1.100 39.607 38.487 0.034 0.000 1.157 468 N HN 0.484 nan 8.380 nan 0.000 0.465 469 T N -2.596 112.026 114.554 0.114 0.000 3.584 469 T HA 0.209 4.548 4.350 -0.019 0.000 0.259 469 T C -0.526 174.395 174.700 0.368 0.000 1.009 469 T CA -0.633 61.596 62.100 0.214 0.000 1.103 469 T CB -0.591 68.410 68.868 0.221 0.000 1.099 469 T HN 0.479 nan 8.240 nan 0.000 0.539 470 T N 2.498 117.179 114.554 0.212 0.000 2.837 470 T HA 0.723 5.062 4.350 -0.019 0.000 0.285 470 T C 0.506 175.299 174.700 0.155 0.000 0.984 470 T CA -0.558 61.653 62.100 0.184 0.000 1.049 470 T CB 1.395 70.325 68.868 0.104 0.000 0.947 470 T HN 0.655 nan 8.240 nan 0.000 0.472 471 A N 1.910 124.835 122.820 0.173 0.000 2.371 471 A HA 0.542 4.851 4.320 -0.019 0.000 0.257 471 A C 0.300 177.923 177.584 0.064 0.000 1.089 471 A CA -0.571 51.559 52.037 0.155 0.000 0.794 471 A CB 0.434 19.546 19.000 0.187 0.000 1.029 471 A HN 0.789 nan 8.150 nan 0.000 0.488 472 V N 3.184 123.126 119.914 0.048 0.000 2.235 472 V HA 0.296 4.405 4.120 -0.019 0.000 0.266 472 V C 0.317 176.427 176.094 0.027 0.000 1.055 472 V CA -0.154 62.161 62.300 0.024 0.000 0.844 472 V CB 0.177 32.007 31.823 0.012 0.000 1.097 472 V HN 0.835 nan 8.190 nan 0.000 0.453 473 T N 4.569 119.136 114.554 0.021 0.000 3.953 473 T HA 0.084 4.423 4.350 -0.019 0.000 0.236 473 T C 1.101 175.799 174.700 -0.003 0.000 0.861 473 T CA 0.105 62.216 62.100 0.018 0.000 0.909 473 T CB -0.444 68.432 68.868 0.014 0.000 1.240 473 T HN 0.494 nan 8.240 nan 0.000 0.683 474 K N 2.081 122.476 120.400 -0.008 0.000 2.790 474 K HA 0.264 4.573 4.320 -0.019 0.000 0.229 474 K C 0.661 177.239 176.600 -0.036 0.000 1.040 474 K CA -0.147 56.123 56.287 -0.028 0.000 1.211 474 K CB -0.466 32.018 32.500 -0.027 0.000 1.002 474 K HN 0.646 nan 8.250 nan 0.000 0.479 475 G N -0.061 108.726 108.800 -0.023 0.000 2.488 475 G HA2 0.092 4.041 3.960 -0.019 0.000 0.301 475 G HA3 0.092 4.041 3.960 -0.019 0.000 0.301 475 G C 0.477 175.379 174.900 0.003 0.000 1.339 475 G CA -0.552 44.530 45.100 -0.030 0.000 0.803 475 G HN 0.006 nan 8.290 nan 0.000 0.482 476 I N -1.745 118.827 120.570 0.005 0.000 2.493 476 I HA 0.135 4.294 4.170 -0.019 0.000 0.254 476 I C 0.085 176.243 176.117 0.068 0.000 1.160 476 I CA 0.987 62.312 61.300 0.041 0.000 1.445 476 I CB -0.799 37.225 38.000 0.041 0.000 1.086 476 I HN 0.035 nan 8.210 nan 0.000 0.433 477 V N 3.654 123.617 119.914 0.081 0.000 2.378 477 V HA 0.289 4.398 4.120 -0.019 0.000 0.288 477 V C 0.265 176.440 176.094 0.135 0.000 1.016 477 V CA -0.525 61.864 62.300 0.150 0.000 0.840 477 V CB 1.393 33.406 31.823 0.317 0.000 0.994 477 V HN 0.476 nan 8.190 nan 0.000 0.431 478 S N 6.705 122.478 115.700 0.122 0.000 2.523 478 S HA 0.712 5.171 4.470 -0.019 0.000 0.275 478 S C -0.460 174.236 174.600 0.160 0.000 1.281 478 S CA -0.611 57.661 58.200 0.119 0.000 1.050 478 S CB 0.689 63.955 63.200 0.110 0.000 0.937 478 S HN 0.489 nan 8.310 nan 0.000 0.492 479 L N 3.182 124.478 121.223 0.122 0.000 2.358 479 L HA 0.661 4.989 4.340 -0.019 0.000 0.268 479 L C -2.117 174.735 176.870 -0.031 0.000 1.032 479 L CA -2.641 52.252 54.840 0.087 0.000 0.805 479 L CB 1.230 43.339 42.059 0.083 0.000 1.253 479 L HN 0.470 nan 8.230 nan 0.000 0.452 480 P HA 0.314 nan 4.420 nan 0.000 0.283 480 P C -2.761 174.412 177.300 -0.211 0.000 1.271 480 P CA -2.023 60.731 63.100 -0.576 0.000 0.841 480 P CB 0.538 31.632 31.700 -1.010 0.000 1.122 481 P HA 0.034 nan 4.420 nan 0.000 0.276 481 P C 0.312 177.661 177.300 0.080 0.000 1.230 481 P CA 0.149 63.234 63.100 -0.025 0.000 0.776 481 P CB 0.442 32.131 31.700 -0.018 0.000 0.888 482 S N 3.343 119.084 115.700 0.067 0.000 2.558 482 S HA 0.207 4.666 4.470 -0.019 0.000 0.287 482 S C -0.368 174.337 174.600 0.174 0.000 1.321 482 S CA 0.324 58.565 58.200 0.069 0.000 1.048 482 S CB -0.608 62.595 63.200 0.005 0.000 0.844 482 S HN 0.559 nan 8.310 nan 0.000 0.512 483 Y N 0.160 120.431 120.300 -0.050 0.000 2.895 483 Y HA 0.605 5.144 4.550 -0.019 0.000 0.339 483 Y C -1.351 174.516 175.900 -0.054 0.000 1.363 483 Y CA -1.286 56.783 58.100 -0.052 0.000 1.085 483 Y CB 0.542 38.967 38.460 -0.059 0.000 1.500 483 Y HN 0.538 nan 8.280 nan 0.000 0.442 484 Q N 1.465 121.307 119.800 0.071 0.000 2.423 484 Q HA 0.759 5.088 4.340 -0.019 0.000 0.278 484 Q C -1.755 174.273 176.000 0.045 0.000 1.097 484 Q CA -1.083 54.680 55.803 -0.067 0.000 0.809 484 Q CB 3.678 32.385 28.738 -0.051 0.000 1.391 484 Q HN 0.753 nan 8.270 nan 0.000 0.428 485 I N -0.144 120.351 120.570 -0.125 0.000 2.918 485 I HA 0.438 4.597 4.170 -0.019 0.000 0.301 485 I C -1.671 174.168 176.117 -0.464 0.000 1.312 485 I CA -0.693 60.461 61.300 -0.243 0.000 1.007 485 I CB 1.978 39.824 38.000 -0.257 0.000 1.281 485 I HN 0.713 nan 8.210 nan 0.000 0.440 486 C N 5.693 124.712 119.300 -0.469 0.000 2.319 486 C HA 0.514 4.963 4.460 -0.019 0.000 0.323 486 C C -0.505 174.182 174.990 -0.505 0.000 1.277 486 C CA -0.482 58.291 59.018 -0.408 0.000 1.517 486 C CB 0.179 27.812 27.740 -0.179 0.000 2.206 486 C HN 0.457 nan 8.230 nan 0.000 0.486 487 F N 4.942 124.769 119.950 -0.206 0.000 2.375 487 F HA 0.427 4.942 4.527 -0.019 0.000 0.362 487 F C 0.522 176.205 175.800 -0.195 0.000 1.129 487 F CA -0.408 57.358 58.000 -0.391 0.000 1.154 487 F CB 0.295 38.713 39.000 -0.969 0.000 1.205 487 F HN 0.298 nan 8.300 nan 0.000 0.513 488 I N 5.499 126.170 120.570 0.168 0.000 2.321 488 I HA 0.331 4.490 4.170 -0.019 0.000 0.291 488 I C -2.494 173.864 176.117 0.402 0.000 0.998 488 I CA -3.108 58.333 61.300 0.234 0.000 1.227 488 I CB 1.013 39.089 38.000 0.127 0.000 1.368 488 I HN 0.228 nan 8.210 nan 0.000 0.466 489 P HA 0.502 nan 4.420 nan 0.000 0.282 489 P C -0.473 176.905 177.300 0.131 0.000 1.249 489 P CA -0.247 63.004 63.100 0.253 0.000 0.806 489 P CB 1.573 33.391 31.700 0.197 0.000 0.984 490 V N 0.000 119.954 119.914 0.066 0.000 2.409 490 V HA 0.000 4.109 4.120 -0.019 0.000 0.244 490 V CA 0.000 62.328 62.300 0.047 0.000 1.235 490 V CB 0.000 31.855 31.823 0.053 0.000 1.184 490 V HN 0.000 nan 8.190 nan 0.000 0.556