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 2vn0_1_A DATA FIRST_RESID 28 DATA SEQUENCE KLPPGPTPLP IIGNMLQIDV KDICKSFTNF SKVYGPVFTV YFGMNPIVVF DATA SEQUENCE HGYEAVKEAL IDNGEEFSGR GNSPISQRIT KGLGIISSNG KRWKEIRRFS DATA SEQUENCE LTTLRNFGMG KRSIEDRVQE EAHCLVEELR KTKASPCDPT FILGCAPCNV DATA SEQUENCE ICSVVFQKRF DYKDQNFLTL MKRFNENFRI LNSPWIQVCN NFPLLIDCFP DATA SEQUENCE GTHNKVLKNV ALTRSYIREK VKEHQASLDV NNPRDFIDCF LIKMEQEKDN DATA SEQUENCE QKSEFNIENL VGTVADLFVA GTETTSTTLR YGLLLLLKHP EVTAKVQEEI DATA SEQUENCE DHVIGRHRSP CMQDRSHMPY TDAVVHEIQR YSDLVPTGVP HAVTTDTKFR DATA SEQUENCE NYLIPKGTTI MALLTSVLHD DKEFPNPNIF DPGHFLDKNG NFKKSDYFMP DATA SEQUENCE FSAGKRICAG EGLARMELFL FLTTILQNFN LKSVDDLKNL NTTAVTKGIV DATA SEQUENCE SLPPSYQICF IPVH 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 0.000 176.703 176.600 0.172 0.000 0.988 28 K CA 0.000 56.357 56.287 0.117 0.000 0.838 28 K CB 0.000 32.567 32.500 0.112 0.000 1.064 29 L N 1.987 123.279 121.223 0.114 0.000 2.472 29 L HA 0.329 4.668 4.340 -0.002 0.000 0.260 29 L C -1.751 175.138 176.870 0.032 0.000 1.209 29 L CA -1.685 53.185 54.840 0.050 0.000 0.817 29 L CB 0.079 42.121 42.059 -0.028 0.000 1.106 29 L HN 0.220 nan 8.230 nan 0.000 0.479 30 P HA 0.099 nan 4.420 nan 0.000 0.271 30 P C -2.392 174.760 177.300 -0.246 0.000 1.233 30 P CA -0.741 61.943 63.100 -0.692 0.000 0.789 30 P CB -0.068 31.065 31.700 -0.944 0.000 0.951 31 P HA 0.271 nan 4.420 nan 0.000 0.276 31 P C -0.056 177.138 177.300 -0.178 0.000 1.264 31 P CA 0.418 63.526 63.100 0.012 0.000 0.815 31 P CB 0.115 31.928 31.700 0.188 0.000 1.121 32 G N -2.580 105.987 108.800 -0.388 0.000 2.339 32 G HA2 0.294 4.253 3.960 -0.002 0.000 0.302 32 G HA3 0.294 4.253 3.960 -0.002 0.000 0.302 32 G C -3.381 170.968 174.900 -0.919 0.000 1.425 32 G CA -0.860 43.603 45.100 -1.062 0.000 0.899 32 G HN 0.212 nan 8.290 nan 0.000 0.619 33 P HA 0.290 nan 4.420 nan 0.000 0.267 33 P C 0.275 177.494 177.300 -0.135 0.000 1.200 33 P CA 0.200 63.103 63.100 -0.328 0.000 0.772 33 P CB 0.400 31.841 31.700 -0.430 0.000 0.855 34 T N 4.795 119.337 114.554 -0.020 0.000 2.814 34 T HA 0.254 4.603 4.350 -0.002 0.000 0.297 34 T C -1.991 172.691 174.700 -0.030 0.000 0.956 34 T CA -0.942 61.146 62.100 -0.019 0.000 1.123 34 T CB -0.240 68.629 68.868 0.002 0.000 0.902 34 T HN 0.360 nan 8.240 nan 0.000 0.528 35 P HA 0.297 nan 4.420 nan 0.000 0.279 35 P C -0.884 176.367 177.300 -0.080 0.000 1.239 35 P CA -0.774 62.273 63.100 -0.089 0.000 0.789 35 P CB 0.754 32.276 31.700 -0.297 0.000 0.933 36 L N 6.918 128.124 121.223 -0.029 0.000 2.313 36 L HA 0.221 4.560 4.340 -0.002 0.000 0.282 36 L C -1.140 175.714 176.870 -0.026 0.000 1.092 36 L CA -1.588 53.240 54.840 -0.020 0.000 0.831 36 L CB -0.232 41.829 42.059 0.004 0.000 1.159 36 L HN 0.313 nan 8.230 nan 0.000 0.442 37 P HA -0.311 nan 4.420 nan 0.000 0.232 37 P C 1.274 178.571 177.300 -0.006 0.000 1.150 37 P CA 1.698 64.776 63.100 -0.037 0.000 0.911 37 P CB 0.278 31.965 31.700 -0.023 0.000 0.776 38 I N -2.767 117.820 120.570 0.029 0.000 4.197 38 I HA 0.129 4.297 4.170 -0.002 0.000 0.307 38 I C 1.425 177.649 176.117 0.179 0.000 1.236 38 I CA 0.065 61.413 61.300 0.081 0.000 1.321 38 I CB 0.262 38.300 38.000 0.064 0.000 1.309 38 I HN -0.200 nan 8.210 nan 0.000 0.450 39 I N -2.035 118.632 120.570 0.161 0.000 3.914 39 I HA 0.567 4.736 4.170 -0.002 0.000 0.333 39 I C 1.212 177.476 176.117 0.245 0.000 1.449 39 I CA 0.132 61.605 61.300 0.287 0.000 1.135 39 I CB -0.854 37.212 38.000 0.111 0.000 1.073 39 I HN 0.207 nan 8.210 nan 0.000 0.401 40 G N 3.630 112.527 108.800 0.162 0.000 2.634 40 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.309 40 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.309 40 G C 0.158 175.133 174.900 0.124 0.000 1.265 40 G CA 1.063 46.259 45.100 0.160 0.000 0.998 40 G HN 0.637 nan 8.290 nan 0.000 0.551 41 N N 0.383 119.174 118.700 0.153 0.000 2.214 41 N HA 0.319 5.058 4.740 -0.002 0.000 0.214 41 N C 2.006 177.550 175.510 0.057 0.000 1.132 41 N CA 0.023 53.141 53.050 0.112 0.000 0.856 41 N CB 0.321 38.890 38.487 0.136 0.000 1.020 41 N HN 0.334 nan 8.380 nan 0.000 0.509 42 M N 0.633 120.234 119.600 0.001 0.000 2.204 42 M HA -0.147 4.332 4.480 -0.002 0.000 0.255 42 M C 1.142 177.395 176.300 -0.079 0.000 1.073 42 M CA 1.642 56.879 55.300 -0.106 0.000 1.084 42 M CB -1.052 31.565 32.600 0.028 0.000 1.289 42 M HN 0.278 nan 8.290 nan 0.000 0.419 43 L N -1.096 120.110 121.223 -0.030 0.000 2.675 43 L HA -0.019 4.320 4.340 -0.002 0.000 0.238 43 L C 1.460 178.327 176.870 -0.005 0.000 1.155 43 L CA 0.964 55.783 54.840 -0.035 0.000 0.881 43 L CB -1.603 40.438 42.059 -0.029 0.000 1.008 43 L HN 0.377 nan 8.230 nan 0.000 0.443 44 Q N 0.564 120.388 119.800 0.040 0.000 2.280 44 Q HA 0.372 4.710 4.340 -0.002 0.000 0.228 44 Q C 0.055 176.107 176.000 0.086 0.000 0.857 44 Q CA -0.042 55.827 55.803 0.111 0.000 0.939 44 Q CB 0.914 29.798 28.738 0.243 0.000 1.114 44 Q HN 0.698 nan 8.270 nan 0.000 0.514 45 I N -2.096 118.485 120.570 0.019 0.000 2.433 45 I HA 0.385 4.554 4.170 -0.002 0.000 0.292 45 I C -0.779 175.249 176.117 -0.149 0.000 1.001 45 I CA -1.113 60.144 61.300 -0.072 0.000 1.119 45 I CB 1.495 39.486 38.000 -0.015 0.000 1.289 45 I HN -0.251 nan 8.210 nan 0.000 0.438 46 D N 5.388 125.684 120.400 -0.173 0.000 2.344 46 D HA 0.078 4.717 4.640 -0.002 0.000 0.253 46 D C 1.326 177.519 176.300 -0.178 0.000 1.255 46 D CA -0.155 53.747 54.000 -0.163 0.000 0.894 46 D CB 1.312 42.023 40.800 -0.148 0.000 1.067 46 D HN 0.579 nan 8.370 nan 0.000 0.492 47 V N 2.484 122.288 119.914 -0.183 0.000 2.720 47 V HA -0.163 3.956 4.120 -0.002 0.000 0.256 47 V C 1.841 177.844 176.094 -0.152 0.000 1.082 47 V CA 1.140 63.336 62.300 -0.174 0.000 1.101 47 V CB -0.642 31.057 31.823 -0.207 0.000 0.693 47 V HN 0.383 nan 8.190 nan 0.000 0.479 48 K N 0.271 120.581 120.400 -0.149 0.000 2.365 48 K HA -0.026 4.293 4.320 -0.002 0.000 0.199 48 K C 0.694 177.235 176.600 -0.099 0.000 1.045 48 K CA 1.224 57.439 56.287 -0.119 0.000 0.962 48 K CB 0.029 32.464 32.500 -0.108 0.000 0.759 48 K HN 0.597 nan 8.250 nan 0.000 0.469 49 D N 0.037 120.366 120.400 -0.118 0.000 3.671 49 D HA -0.005 4.634 4.640 -0.002 0.000 0.291 49 D C 0.500 176.700 176.300 -0.167 0.000 1.373 49 D CA -0.173 53.759 54.000 -0.113 0.000 0.753 49 D CB -0.220 40.523 40.800 -0.094 0.000 1.338 49 D HN 0.090 nan 8.370 nan 0.000 0.690 50 I N -0.952 119.492 120.570 -0.210 0.000 2.623 50 I HA -0.241 3.928 4.170 -0.002 0.000 0.261 50 I C 1.376 177.176 176.117 -0.529 0.000 1.204 50 I CA 1.112 62.181 61.300 -0.385 0.000 1.444 50 I CB -0.014 37.777 38.000 -0.348 0.000 1.094 50 I HN 0.247 nan 8.210 nan 0.000 0.451 51 C N 1.219 120.372 119.300 -0.243 0.000 2.457 51 C HA -0.113 4.346 4.460 -0.002 0.000 0.278 51 C C 2.774 177.749 174.990 -0.025 0.000 1.309 51 C CA 1.222 60.198 59.018 -0.072 0.000 1.735 51 C CB -0.903 26.845 27.740 0.013 0.000 1.992 51 C HN 0.586 nan 8.230 nan 0.000 0.493 52 K N 0.467 120.813 120.400 -0.090 0.000 2.097 52 K HA -0.121 4.198 4.320 -0.002 0.000 0.206 52 K C 2.069 178.589 176.600 -0.133 0.000 1.049 52 K CA 1.662 57.899 56.287 -0.085 0.000 0.933 52 K CB -0.171 32.268 32.500 -0.102 0.000 0.717 52 K HN 0.391 nan 8.250 nan 0.000 0.442 53 S N 0.647 116.211 115.700 -0.227 0.000 2.356 53 S HA -0.107 4.361 4.470 -0.002 0.000 0.223 53 S C 1.676 176.121 174.600 -0.259 0.000 1.032 53 S CA 1.261 59.236 58.200 -0.374 0.000 1.005 53 S CB -0.347 62.617 63.200 -0.394 0.000 0.867 53 S HN 0.243 nan 8.310 nan 0.000 0.449 54 F N 2.149 122.111 119.950 0.019 0.000 2.095 54 F HA -0.094 4.432 4.527 -0.001 0.000 0.298 54 F C 2.854 178.761 175.800 0.178 0.000 1.104 54 F CA 0.867 59.059 58.000 0.320 0.000 1.232 54 F CB -1.846 37.384 39.000 0.384 0.000 0.987 54 F HN 0.147 nan 8.300 nan 0.000 0.475 55 T N -0.100 114.611 114.554 0.261 0.000 2.759 55 T HA -0.232 4.117 4.350 -0.002 0.000 0.269 55 T C 1.776 176.444 174.700 -0.055 0.000 1.042 55 T CA 1.783 63.926 62.100 0.072 0.000 1.140 55 T CB -0.613 68.319 68.868 0.106 0.000 0.864 55 T HN 0.360 nan 8.240 nan 0.000 0.455 56 N N -0.138 118.506 118.700 -0.094 0.000 2.188 56 N HA 0.019 4.758 4.740 -0.002 0.000 0.184 56 N C 1.624 177.068 175.510 -0.111 0.000 1.018 56 N CA 0.817 53.777 53.050 -0.150 0.000 0.858 56 N CB -0.191 38.147 38.487 -0.248 0.000 0.989 56 N HN 0.379 nan 8.380 nan 0.000 0.426 57 F N 1.011 120.886 119.950 -0.125 0.000 2.186 57 F HA -0.160 4.366 4.527 -0.002 0.000 0.299 57 F C 2.860 178.371 175.800 -0.481 0.000 1.090 57 F CA 0.569 58.385 58.000 -0.306 0.000 1.307 57 F CB -0.126 38.493 39.000 -0.636 0.000 1.019 57 F HN 0.133 nan 8.300 nan 0.000 0.489 58 S N 0.272 115.809 115.700 -0.271 0.000 2.399 58 S HA -0.185 4.284 4.470 -0.002 0.000 0.231 58 S C 1.663 176.193 174.600 -0.117 0.000 1.022 58 S CA 0.865 58.951 58.200 -0.191 0.000 0.983 58 S CB -0.478 62.518 63.200 -0.340 0.000 0.803 58 S HN 0.369 nan 8.310 nan 0.000 0.480 59 K N 0.452 120.786 120.400 -0.111 0.000 2.283 59 K HA 0.078 4.396 4.320 -0.002 0.000 0.202 59 K C 1.652 178.189 176.600 -0.104 0.000 1.048 59 K CA 1.108 57.350 56.287 -0.076 0.000 0.948 59 K CB -0.120 32.343 32.500 -0.062 0.000 0.742 59 K HN 0.348 nan 8.250 nan 0.000 0.458 60 V N -0.816 119.004 119.914 -0.157 0.000 2.922 60 V HA -0.065 4.054 4.120 -0.002 0.000 0.242 60 V C 1.066 176.841 176.094 -0.532 0.000 1.094 60 V CA 0.940 63.028 62.300 -0.353 0.000 1.106 60 V CB -0.149 31.389 31.823 -0.475 0.000 0.799 60 V HN 0.167 nan 8.190 nan 0.000 0.474 61 Y N 0.557 120.765 120.300 -0.152 0.000 2.442 61 Y HA 0.595 5.144 4.550 -0.002 0.000 0.250 61 Y C 1.355 177.245 175.900 -0.016 0.000 1.113 61 Y CA 0.422 58.454 58.100 -0.114 0.000 1.273 61 Y CB 0.617 38.947 38.460 -0.215 0.000 1.138 61 Y HN 0.323 nan 8.280 nan 0.000 0.522 62 G N 0.435 109.303 108.800 0.113 0.000 2.610 62 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.304 62 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.304 62 G C -2.184 172.872 174.900 0.261 0.000 1.309 62 G CA -0.617 44.581 45.100 0.163 0.000 0.906 62 G HN -0.017 nan 8.290 nan 0.000 0.521 63 P HA 0.019 nan 4.420 nan 0.000 0.216 63 P C 0.815 178.203 177.300 0.147 0.000 1.153 63 P CA 2.043 65.303 63.100 0.266 0.000 0.858 63 P CB -0.070 31.782 31.700 0.253 0.000 0.789 64 V N -1.240 118.712 119.914 0.063 0.000 2.448 64 V HA 0.644 4.763 4.120 -0.002 0.000 0.295 64 V C -0.428 175.528 176.094 -0.230 0.000 1.025 64 V CA -1.016 61.095 62.300 -0.315 0.000 0.859 64 V CB 0.845 32.480 31.823 -0.313 0.000 0.988 64 V HN 0.073 nan 8.190 nan 0.000 0.431 65 F N 0.647 120.283 119.950 -0.523 0.000 2.668 65 F HA 0.874 5.400 4.527 -0.002 0.000 0.309 65 F C -0.517 174.957 175.800 -0.544 0.000 1.117 65 F CA -0.810 56.903 58.000 -0.478 0.000 0.951 65 F CB 1.558 40.338 39.000 -0.367 0.000 1.323 65 F HN 0.309 nan 8.300 nan 0.000 0.451 66 T N 2.381 116.766 114.554 -0.282 0.000 2.823 66 T HA 0.691 5.040 4.350 -0.002 0.000 0.279 66 T C -0.685 173.843 174.700 -0.287 0.000 0.998 66 T CA -0.563 61.314 62.100 -0.371 0.000 0.994 66 T CB 1.554 70.219 68.868 -0.338 0.000 0.960 66 T HN 1.095 nan 8.240 nan 0.000 0.448 67 V N 0.563 120.296 119.914 -0.302 0.000 3.007 67 V HA 0.744 4.863 4.120 -0.002 0.000 0.311 67 V C -2.069 173.950 176.094 -0.125 0.000 1.120 67 V CA -1.224 61.024 62.300 -0.087 0.000 0.980 67 V CB 1.664 33.586 31.823 0.164 0.000 1.033 67 V HN 0.776 nan 8.190 nan 0.000 0.429 68 Y N 2.322 122.699 120.300 0.128 0.000 2.328 68 Y HA 0.648 5.197 4.550 -0.002 0.000 0.337 68 Y C -0.306 175.785 175.900 0.318 0.000 0.966 68 Y CA -1.008 57.191 58.100 0.165 0.000 1.136 68 Y CB 1.856 40.356 38.460 0.067 0.000 1.170 68 Y HN 0.643 nan 8.280 nan 0.000 0.470 69 F N 3.114 123.107 119.950 0.072 0.000 2.303 69 F HA 0.449 4.976 4.527 -0.001 0.000 0.368 69 F C 1.108 176.836 175.800 -0.120 0.000 1.105 69 F CA -0.082 57.926 58.000 0.014 0.000 1.153 69 F CB 0.385 39.359 39.000 -0.043 0.000 1.362 69 F HN 0.866 nan 8.300 nan 0.000 0.511 70 G N 3.079 111.937 108.800 0.098 0.000 2.556 70 G HA2 -0.399 3.560 3.960 -0.002 0.000 0.283 70 G HA3 -0.399 3.560 3.960 -0.002 0.000 0.283 70 G C 0.599 175.579 174.900 0.134 0.000 1.177 70 G CA 0.342 45.455 45.100 0.022 0.000 0.978 70 G HN 0.471 nan 8.290 nan 0.000 0.554 71 M N 2.246 121.887 119.600 0.067 0.000 2.506 71 M HA 0.225 4.704 4.480 -0.002 0.000 0.260 71 M C 0.977 177.385 176.300 0.180 0.000 1.104 71 M CA 0.262 55.634 55.300 0.120 0.000 1.112 71 M CB -0.352 32.290 32.600 0.071 0.000 1.401 71 M HN 0.422 nan 8.290 nan 0.000 0.473 72 N N 2.304 121.065 118.700 0.102 0.000 2.442 72 N HA 0.211 4.949 4.740 -0.002 0.000 0.265 72 N C -2.591 172.896 175.510 -0.038 0.000 1.138 72 N CA -1.004 52.067 53.050 0.034 0.000 0.956 72 N CB 0.294 38.755 38.487 -0.044 0.000 1.067 72 N HN 0.153 nan 8.380 nan 0.000 0.474 73 P HA 0.351 nan 4.420 nan 0.000 0.293 73 P C -0.446 176.589 177.300 -0.441 0.000 1.300 73 P CA -0.194 62.510 63.100 -0.660 0.000 0.792 73 P CB 1.134 32.496 31.700 -0.564 0.000 0.925 74 I N 3.610 123.896 120.570 -0.473 0.000 2.418 74 I HA 0.240 4.409 4.170 -0.002 0.000 0.287 74 I C 0.137 175.966 176.117 -0.481 0.000 1.008 74 I CA -1.155 59.897 61.300 -0.413 0.000 1.104 74 I CB 2.491 40.223 38.000 -0.446 0.000 1.264 74 I HN 0.073 nan 8.210 nan 0.000 0.438 75 V N 8.503 128.146 119.914 -0.450 0.000 2.383 75 V HA 0.395 4.514 4.120 -0.002 0.000 0.275 75 V C -0.255 175.364 176.094 -0.790 0.000 1.036 75 V CA -0.213 61.719 62.300 -0.613 0.000 0.889 75 V CB 1.653 33.174 31.823 -0.503 0.000 0.985 75 V HN 0.425 nan 8.190 nan 0.000 0.459 76 V N 8.254 127.473 119.914 -1.159 0.000 2.394 76 V HA 0.484 4.603 4.120 -0.002 0.000 0.282 76 V C -0.359 174.974 176.094 -1.268 0.000 1.031 76 V CA -0.360 61.195 62.300 -1.241 0.000 0.881 76 V CB 1.274 32.027 31.823 -1.784 0.000 0.982 76 V HN 0.746 nan 8.190 nan 0.000 0.451 77 F N 3.945 123.567 119.950 -0.547 0.000 2.427 77 F HA 0.489 5.015 4.527 -0.002 0.000 0.346 77 F C 0.287 175.983 175.800 -0.172 0.000 1.120 77 F CA -0.307 57.472 58.000 -0.368 0.000 1.033 77 F CB 0.995 39.739 39.000 -0.427 0.000 1.126 77 F HN 0.508 nan 8.300 nan 0.000 0.462 78 H N 2.349 121.416 119.070 -0.005 0.000 2.609 78 H HA 0.599 5.154 4.556 -0.002 0.000 0.344 78 H C -0.163 175.236 175.328 0.118 0.000 1.040 78 H CA -0.150 55.948 56.048 0.084 0.000 1.216 78 H CB 1.565 31.434 29.762 0.179 0.000 1.529 78 H HN 0.842 nan 8.280 nan 0.000 0.519 79 G N 3.731 112.357 108.800 -0.288 0.000 2.712 79 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.686 79 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.686 79 G C -0.083 174.803 174.900 -0.024 0.000 1.181 79 G CA 0.002 45.042 45.100 -0.100 0.000 0.762 79 G HN 0.666 nan 8.290 nan 0.000 0.641 80 Y N 1.023 121.242 120.300 -0.135 0.000 2.102 80 Y HA -0.218 4.331 4.550 -0.002 0.000 0.280 80 Y C 2.740 178.537 175.900 -0.172 0.000 1.178 80 Y CA 2.984 60.913 58.100 -0.284 0.000 1.146 80 Y CB 0.048 38.096 38.460 -0.688 0.000 0.968 80 Y HN 0.674 nan 8.280 nan 0.000 0.504 81 E N 0.365 120.485 120.200 -0.133 0.000 2.033 81 E HA -0.279 4.070 4.350 -0.002 0.000 0.199 81 E C 2.462 178.977 176.600 -0.141 0.000 1.011 81 E CA 1.478 57.789 56.400 -0.149 0.000 0.815 81 E CB -1.147 28.575 29.700 0.038 0.000 0.755 81 E HN 0.576 nan 8.360 nan 0.000 0.451 82 A N 1.091 123.915 122.820 0.006 0.000 1.873 82 A HA -0.121 4.198 4.320 -0.002 0.000 0.215 82 A C 2.688 180.217 177.584 -0.092 0.000 1.186 82 A CA 1.635 53.758 52.037 0.143 0.000 0.616 82 A CB -0.742 18.422 19.000 0.274 0.000 0.823 82 A HN 0.138 nan 8.150 nan 0.000 0.442 83 V N 0.531 120.326 119.914 -0.198 0.000 2.343 83 V HA -0.278 3.841 4.120 -0.002 0.000 0.247 83 V C 2.557 178.384 176.094 -0.445 0.000 1.051 83 V CA 2.442 64.539 62.300 -0.339 0.000 1.036 83 V CB -0.696 30.983 31.823 -0.240 0.000 0.654 83 V HN 0.742 nan 8.190 nan 0.000 0.451 84 K N 0.483 120.589 120.400 -0.490 0.000 2.001 84 K HA -0.248 4.071 4.320 -0.002 0.000 0.208 84 K C 2.251 178.640 176.600 -0.352 0.000 1.048 84 K CA 1.986 57.980 56.287 -0.488 0.000 0.932 84 K CB -0.264 31.749 32.500 -0.811 0.000 0.715 84 K HN 0.525 nan 8.250 nan 0.000 0.437 85 E N -0.019 120.016 120.200 -0.274 0.000 2.097 85 E HA -0.258 4.091 4.350 -0.002 0.000 0.196 85 E C 1.673 178.173 176.600 -0.167 0.000 1.000 85 E CA 1.435 57.761 56.400 -0.123 0.000 0.804 85 E CB -0.157 29.560 29.700 0.029 0.000 0.740 85 E HN 0.473 nan 8.360 nan 0.000 0.454 86 A N 0.822 123.343 122.820 -0.499 0.000 1.832 86 A HA -0.075 4.244 4.320 -0.002 0.000 0.214 86 A C 2.228 179.194 177.584 -1.031 0.000 1.204 86 A CA 1.077 52.334 52.037 -1.300 0.000 0.606 86 A CB -0.767 16.744 19.000 -2.483 0.000 0.849 86 A HN 0.291 nan 8.150 nan 0.000 0.445 87 L N -0.740 120.023 121.223 -0.767 0.000 2.083 87 L HA -0.165 4.174 4.340 -0.002 0.000 0.209 87 L C 2.388 179.147 176.870 -0.185 0.000 1.083 87 L CA 1.297 55.891 54.840 -0.409 0.000 0.752 87 L CB -0.498 41.354 42.059 -0.345 0.000 0.899 87 L HN 0.414 nan 8.230 nan 0.000 0.433 88 I N -1.032 119.426 120.570 -0.186 0.000 2.834 88 I HA -0.115 4.054 4.170 -0.002 0.000 0.239 88 I C 1.959 178.049 176.117 -0.045 0.000 1.073 88 I CA 0.429 61.680 61.300 -0.082 0.000 1.459 88 I CB -0.313 37.639 38.000 -0.080 0.000 1.288 88 I HN 0.080 nan 8.210 nan 0.000 0.455 89 D N 1.300 121.660 120.400 -0.067 0.000 2.221 89 D HA -0.146 4.493 4.640 -0.002 0.000 0.204 89 D C 0.828 177.145 176.300 0.028 0.000 0.982 89 D CA 1.242 55.230 54.000 -0.021 0.000 0.857 89 D CB -0.331 40.447 40.800 -0.037 0.000 0.934 89 D HN 0.359 nan 8.370 nan 0.000 0.475 90 N N -0.130 118.598 118.700 0.047 0.000 2.416 90 N HA 0.113 4.852 4.740 -0.002 0.000 0.267 90 N C 1.459 177.103 175.510 0.223 0.000 1.294 90 N CA -0.009 53.145 53.050 0.173 0.000 0.891 90 N CB 1.199 39.890 38.487 0.340 0.000 1.238 90 N HN 0.048 nan 8.380 nan 0.000 0.508 91 G N 1.634 110.504 108.800 0.117 0.000 2.574 91 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.220 91 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.220 91 G C 1.455 176.454 174.900 0.165 0.000 1.173 91 G CA 1.103 46.281 45.100 0.131 0.000 0.772 91 G HN 0.275 nan 8.290 nan 0.000 0.585 92 E N 0.757 121.038 120.200 0.135 0.000 2.058 92 E HA -0.108 4.241 4.350 -0.002 0.000 0.194 92 E C 2.482 179.125 176.600 0.071 0.000 0.997 92 E CA 1.592 58.060 56.400 0.112 0.000 0.801 92 E CB -0.345 29.410 29.700 0.091 0.000 0.746 92 E HN 0.472 nan 8.360 nan 0.000 0.450 93 E N -1.002 119.238 120.200 0.066 0.000 2.153 93 E HA -0.099 4.250 4.350 -0.002 0.000 0.194 93 E C 1.169 177.656 176.600 -0.189 0.000 0.988 93 E CA 0.883 57.243 56.400 -0.066 0.000 0.811 93 E CB -0.219 29.425 29.700 -0.092 0.000 0.746 93 E HN 0.309 nan 8.360 nan 0.000 0.466 94 F N -0.245 119.683 119.950 -0.037 0.000 2.660 94 F HA 0.126 4.652 4.527 -0.002 0.000 0.302 94 F C 1.383 177.207 175.800 0.040 0.000 1.103 94 F CA 0.010 57.989 58.000 -0.035 0.000 1.340 94 F CB 0.286 39.213 39.000 -0.122 0.000 1.048 94 F HN -0.085 nan 8.300 nan 0.000 0.551 95 S N -1.094 114.643 115.700 0.063 0.000 2.671 95 S HA 0.259 4.728 4.470 -0.002 0.000 0.220 95 S C 1.009 175.314 174.600 -0.492 0.000 0.951 95 S CA -0.171 57.948 58.200 -0.135 0.000 0.932 95 S CB -0.520 62.651 63.200 -0.048 0.000 0.777 95 S HN 0.148 nan 8.310 nan 0.000 0.508 96 G N 1.200 109.788 108.800 -0.354 0.000 2.420 96 G HA2 0.511 4.470 3.960 -0.002 0.000 0.284 96 G HA3 0.511 4.470 3.960 -0.002 0.000 0.284 96 G C -0.533 174.079 174.900 -0.479 0.000 1.177 96 G CA -1.093 43.755 45.100 -0.420 0.000 0.841 96 G HN 0.438 nan 8.290 nan 0.000 0.527 97 R N 1.160 121.378 120.500 -0.471 0.000 2.265 97 R HA 0.452 4.791 4.340 -0.002 0.000 0.314 97 R C 0.805 176.973 176.300 -0.220 0.000 1.053 97 R CA -0.040 55.830 56.100 -0.383 0.000 0.931 97 R CB 0.554 30.655 30.300 -0.332 0.000 1.024 97 R HN 0.543 nan 8.270 nan 0.000 0.457 98 G N 4.195 112.903 108.800 -0.154 0.000 2.307 98 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.271 98 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.271 98 G C -0.102 174.743 174.900 -0.091 0.000 1.191 98 G CA -0.333 44.708 45.100 -0.099 0.000 1.024 98 G HN 0.857 nan 8.290 nan 0.000 0.441 99 N N 0.851 119.498 118.700 -0.089 0.000 2.381 99 N HA 0.352 5.091 4.740 -0.002 0.000 0.241 99 N C 0.102 175.579 175.510 -0.055 0.000 1.279 99 N CA 0.558 53.567 53.050 -0.068 0.000 0.896 99 N CB 0.627 39.077 38.487 -0.063 0.000 1.118 99 N HN 0.604 nan 8.380 nan 0.000 0.438 100 S N 0.961 116.639 115.700 -0.038 0.000 2.563 100 S HA 0.363 4.832 4.470 -0.002 0.000 0.279 100 S C -2.443 172.149 174.600 -0.014 0.000 1.155 100 S CA -1.006 57.178 58.200 -0.027 0.000 0.928 100 S CB 1.799 64.985 63.200 -0.023 0.000 1.107 100 S HN 0.392 nan 8.310 nan 0.000 0.462 101 P HA -0.133 nan 4.420 nan 0.000 0.216 101 P C 1.424 178.725 177.300 0.001 0.000 1.157 101 P CA 1.336 64.437 63.100 0.001 0.000 0.880 101 P CB -0.048 31.657 31.700 0.008 0.000 0.791 102 I N -1.444 119.123 120.570 -0.005 0.000 2.286 102 I HA -0.214 3.955 4.170 -0.002 0.000 0.248 102 I C 2.188 178.307 176.117 0.003 0.000 1.115 102 I CA 1.451 62.744 61.300 -0.012 0.000 1.392 102 I CB -0.695 37.294 38.000 -0.019 0.000 1.065 102 I HN -0.022 nan 8.210 nan 0.000 0.418 103 S N 0.122 115.824 115.700 0.004 0.000 2.355 103 S HA -0.191 4.278 4.470 -0.002 0.000 0.222 103 S C 1.954 176.563 174.600 0.015 0.000 1.031 103 S CA 1.146 59.352 58.200 0.010 0.000 0.993 103 S CB -0.151 63.049 63.200 0.001 0.000 0.859 103 S HN 0.340 nan 8.310 nan 0.000 0.453 104 Q N 1.166 120.971 119.800 0.009 0.000 2.124 104 Q HA 0.026 4.365 4.340 -0.002 0.000 0.202 104 Q C 2.131 178.146 176.000 0.025 0.000 0.977 104 Q CA 1.346 57.157 55.803 0.013 0.000 0.850 104 Q CB -0.304 28.437 28.738 0.006 0.000 0.901 104 Q HN 0.405 nan 8.270 nan 0.000 0.429 105 R N -0.488 120.030 120.500 0.029 0.000 2.115 105 R HA -0.040 4.299 4.340 -0.002 0.000 0.230 105 R C 1.879 178.211 176.300 0.054 0.000 1.111 105 R CA 1.078 57.205 56.100 0.046 0.000 0.976 105 R CB -0.070 30.263 30.300 0.055 0.000 0.870 105 R HN 0.286 nan 8.270 nan 0.000 0.445 106 I N -0.653 119.946 120.570 0.049 0.000 2.339 106 I HA -0.151 4.018 4.170 -0.002 0.000 0.245 106 I C 2.349 178.500 176.117 0.056 0.000 1.096 106 I CA 1.453 62.789 61.300 0.059 0.000 1.408 106 I CB -0.286 37.751 38.000 0.061 0.000 1.092 106 I HN 0.301 nan 8.210 nan 0.000 0.423 107 T N -2.440 112.143 114.554 0.047 0.000 3.035 107 T HA 0.040 4.389 4.350 -0.002 0.000 0.259 107 T C 1.019 175.742 174.700 0.038 0.000 1.078 107 T CA 0.160 62.287 62.100 0.046 0.000 1.132 107 T CB -0.061 68.831 68.868 0.041 0.000 0.900 107 T HN 0.244 nan 8.240 nan 0.000 0.480 108 K N 0.715 121.134 120.400 0.033 0.000 3.160 108 K HA -0.161 4.158 4.320 -0.002 0.000 0.280 108 K C 1.005 177.619 176.600 0.023 0.000 1.154 108 K CA 0.252 56.556 56.287 0.028 0.000 0.822 108 K CB -2.134 30.385 32.500 0.031 0.000 1.239 108 K HN 0.865 nan 8.250 nan 0.000 0.489 109 G N -0.167 108.645 108.800 0.021 0.000 2.184 109 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.264 109 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.264 109 G C 0.272 175.189 174.900 0.030 0.000 0.975 109 G CA 0.719 45.830 45.100 0.019 0.000 0.642 109 G HN 0.251 nan 8.290 nan 0.000 0.536 110 L N -0.090 121.152 121.223 0.032 0.000 2.468 110 L HA 0.577 4.916 4.340 -0.002 0.000 0.254 110 L C 1.744 178.642 176.870 0.046 0.000 1.171 110 L CA 0.591 55.451 54.840 0.034 0.000 0.809 110 L CB 0.556 42.632 42.059 0.029 0.000 1.155 110 L HN 1.084 nan 8.230 nan 0.000 0.473 111 G N 0.606 109.433 108.800 0.045 0.000 2.539 111 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.256 111 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.256 111 G C 0.168 175.136 174.900 0.112 0.000 1.233 111 G CA 0.471 45.610 45.100 0.065 0.000 0.936 111 G HN 0.775 nan 8.290 nan 0.000 0.571 112 I N -0.451 120.199 120.570 0.133 0.000 3.565 112 I HA 0.300 4.469 4.170 -0.002 0.000 0.287 112 I C 2.552 178.802 176.117 0.223 0.000 1.193 112 I CA 0.438 61.866 61.300 0.213 0.000 1.402 112 I CB -0.043 38.069 38.000 0.185 0.000 1.284 112 I HN 0.567 nan 8.210 nan 0.000 0.454 113 I N 1.011 121.655 120.570 0.124 0.000 2.127 113 I HA -0.250 3.919 4.170 -0.002 0.000 0.241 113 I C 1.604 177.737 176.117 0.026 0.000 1.075 113 I CA 1.554 62.900 61.300 0.077 0.000 1.334 113 I CB -0.240 37.788 38.000 0.048 0.000 1.040 113 I HN 0.164 nan 8.210 nan 0.000 0.405 114 S N 0.267 115.984 115.700 0.028 0.000 2.583 114 S HA 0.143 4.612 4.470 -0.002 0.000 0.239 114 S C 0.528 175.122 174.600 -0.010 0.000 0.966 114 S CA -0.340 57.855 58.200 -0.009 0.000 0.973 114 S CB -0.104 63.098 63.200 0.003 0.000 0.794 114 S HN 0.470 nan 8.310 nan 0.000 0.463 115 S N 1.412 117.129 115.700 0.029 0.000 2.745 115 S HA 0.649 5.118 4.470 -0.002 0.000 0.292 115 S C -0.304 174.285 174.600 -0.019 0.000 1.133 115 S CA -0.703 57.530 58.200 0.055 0.000 0.998 115 S CB 1.200 64.490 63.200 0.151 0.000 1.087 115 S HN 0.224 nan 8.310 nan 0.000 0.551 116 N N -1.395 117.325 118.700 0.033 0.000 2.972 116 N HA 0.584 5.323 4.740 -0.002 0.000 0.262 116 N C 0.287 175.871 175.510 0.123 0.000 1.478 116 N CA 0.319 53.349 53.050 -0.033 0.000 0.841 116 N CB 1.313 39.730 38.487 -0.116 0.000 1.512 116 N HN 1.149 nan 8.380 nan 0.000 0.548 117 G N 1.243 110.112 108.800 0.114 0.000 2.581 117 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.289 117 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.289 117 G C 0.946 175.975 174.900 0.215 0.000 1.303 117 G CA 1.021 46.213 45.100 0.154 0.000 0.931 117 G HN 0.795 nan 8.290 nan 0.000 0.555 118 K N 0.189 120.665 120.400 0.127 0.000 2.049 118 K HA -0.323 3.996 4.320 -0.002 0.000 0.219 118 K C 2.629 179.274 176.600 0.074 0.000 1.056 118 K CA 2.659 59.000 56.287 0.089 0.000 0.946 118 K CB -0.326 32.205 32.500 0.051 0.000 0.723 118 K HN 0.591 nan 8.250 nan 0.000 0.453 119 R N -0.371 120.167 120.500 0.064 0.000 2.119 119 R HA -0.224 4.115 4.340 -0.002 0.000 0.246 119 R C 2.196 178.541 176.300 0.074 0.000 1.146 119 R CA 2.214 58.328 56.100 0.024 0.000 0.962 119 R CB -0.701 29.616 30.300 0.028 0.000 0.863 119 R HN 0.556 nan 8.270 nan 0.000 0.442 120 W N 1.651 122.937 121.300 -0.023 0.000 2.352 120 W HA -0.125 4.534 4.660 -0.002 0.000 0.322 120 W C 1.634 178.163 176.519 0.017 0.000 1.208 120 W CA 1.725 59.067 57.345 -0.005 0.000 1.286 120 W CB -0.327 29.126 29.460 -0.012 0.000 1.167 120 W HN -0.062 nan 8.180 nan 0.000 0.469 121 K N 0.140 120.462 120.400 -0.130 0.000 2.107 121 K HA -0.293 4.026 4.320 -0.002 0.000 0.211 121 K C 1.877 178.313 176.600 -0.274 0.000 1.049 121 K CA 2.425 58.467 56.287 -0.409 0.000 0.927 121 K CB -0.554 31.898 32.500 -0.080 0.000 0.714 121 K HN 0.418 nan 8.250 nan 0.000 0.452 122 E N 0.147 120.279 120.200 -0.114 0.000 2.072 122 E HA -0.093 4.256 4.350 -0.002 0.000 0.190 122 E C 2.112 178.730 176.600 0.030 0.000 0.982 122 E CA 0.529 56.920 56.400 -0.015 0.000 0.803 122 E CB 0.114 29.801 29.700 -0.021 0.000 0.755 122 E HN 0.157 nan 8.360 nan 0.000 0.453 123 I N 0.949 121.470 120.570 -0.082 0.000 2.252 123 I HA -0.236 3.933 4.170 -0.002 0.000 0.245 123 I C 2.505 178.721 176.117 0.165 0.000 1.102 123 I CA 1.286 62.621 61.300 0.059 0.000 1.385 123 I CB -0.920 37.108 38.000 0.048 0.000 1.064 123 I HN 0.120 nan 8.210 nan 0.000 0.414 124 R N 1.131 121.581 120.500 -0.083 0.000 2.081 124 R HA -0.192 4.147 4.340 -0.002 0.000 0.235 124 R C 2.496 178.771 176.300 -0.043 0.000 1.131 124 R CA 1.524 57.551 56.100 -0.122 0.000 0.960 124 R CB -0.210 29.789 30.300 -0.501 0.000 0.856 124 R HN 0.199 nan 8.270 nan 0.000 0.436 125 R N -0.388 120.067 120.500 -0.076 0.000 2.091 125 R HA -0.194 4.145 4.340 -0.002 0.000 0.238 125 R C 2.136 178.487 176.300 0.084 0.000 1.136 125 R CA 1.953 58.043 56.100 -0.017 0.000 0.959 125 R CB -0.468 29.821 30.300 -0.019 0.000 0.856 125 R HN 0.325 nan 8.270 nan 0.000 0.437 126 F N 0.839 120.836 119.950 0.078 0.000 2.163 126 F HA -0.076 4.450 4.527 -0.002 0.000 0.297 126 F C 2.086 177.948 175.800 0.104 0.000 1.094 126 F CA 1.716 59.771 58.000 0.093 0.000 1.290 126 F CB -0.346 38.813 39.000 0.265 0.000 1.017 126 F HN -0.041 nan 8.300 nan 0.000 0.483 127 S N 1.498 117.371 115.700 0.288 0.000 2.359 127 S HA -0.188 4.281 4.470 -0.002 0.000 0.224 127 S C 2.140 176.784 174.600 0.073 0.000 1.035 127 S CA 1.658 60.038 58.200 0.299 0.000 1.018 127 S CB -0.770 62.677 63.200 0.411 0.000 0.876 127 S HN 0.414 nan 8.310 nan 0.000 0.448 128 L N 1.242 122.477 121.223 0.018 0.000 2.043 128 L HA -0.182 4.157 4.340 -0.002 0.000 0.212 128 L C 3.004 179.828 176.870 -0.078 0.000 1.075 128 L CA 1.770 56.593 54.840 -0.029 0.000 0.752 128 L CB -1.203 40.832 42.059 -0.039 0.000 0.891 128 L HN 0.541 nan 8.230 nan 0.000 0.432 129 T N -5.134 109.337 114.554 -0.137 0.000 2.942 129 T HA -0.164 4.185 4.350 -0.002 0.000 0.265 129 T C 1.763 176.337 174.700 -0.211 0.000 1.062 129 T CA 1.305 63.307 62.100 -0.164 0.000 1.139 129 T CB -0.514 68.249 68.868 -0.176 0.000 0.883 129 T HN 0.358 nan 8.240 nan 0.000 0.468 130 T N -0.160 114.186 114.554 -0.348 0.000 3.148 130 T HA 0.270 4.619 4.350 -0.002 0.000 0.253 130 T C 1.241 175.891 174.700 -0.084 0.000 1.134 130 T CA -0.018 61.884 62.100 -0.330 0.000 1.051 130 T CB -0.571 67.861 68.868 -0.727 0.000 0.959 130 T HN 0.457 nan 8.240 nan 0.000 0.525 131 L N 0.607 121.808 121.223 -0.037 0.000 2.910 131 L HA 0.421 4.760 4.340 -0.002 0.000 0.252 131 L C 0.909 177.747 176.870 -0.054 0.000 1.195 131 L CA -0.581 54.258 54.840 -0.002 0.000 1.003 131 L CB 0.158 42.228 42.059 0.017 0.000 1.328 131 L HN 0.069 nan 8.230 nan 0.000 0.540 132 R N -0.098 120.365 120.500 -0.062 0.000 2.637 132 R HA 0.030 4.369 4.340 -0.002 0.000 0.269 132 R C 0.982 177.233 176.300 -0.082 0.000 1.089 132 R CA -0.295 55.770 56.100 -0.058 0.000 1.177 132 R CB 0.351 30.631 30.300 -0.032 0.000 1.091 132 R HN -0.087 nan 8.270 nan 0.000 0.540 133 N N 0.501 119.139 118.700 -0.104 0.000 2.137 133 N HA -0.186 4.553 4.740 -0.002 0.000 0.190 133 N C 0.116 175.362 175.510 -0.439 0.000 1.017 133 N CA 1.714 54.607 53.050 -0.262 0.000 0.859 133 N CB 0.088 38.413 38.487 -0.270 0.000 1.002 133 N HN 0.476 nan 8.380 nan 0.000 0.428 134 F N -1.635 118.286 119.950 -0.047 0.000 2.735 134 F HA 0.450 4.977 4.527 -0.002 0.000 0.304 134 F C 1.669 177.439 175.800 -0.051 0.000 1.119 134 F CA -0.422 57.553 58.000 -0.043 0.000 1.280 134 F CB 0.525 39.500 39.000 -0.041 0.000 0.994 134 F HN -0.017 nan 8.300 nan 0.000 0.520 135 G N 0.660 109.489 108.800 0.048 0.000 2.956 135 G HA2 0.049 4.008 3.960 -0.002 0.000 0.207 135 G HA3 0.049 4.008 3.960 -0.002 0.000 0.207 135 G C 0.788 175.666 174.900 -0.036 0.000 1.162 135 G CA 0.152 45.244 45.100 -0.013 0.000 0.796 135 G HN 0.372 nan 8.290 nan 0.000 0.527 136 M N -1.779 117.825 119.600 0.007 0.000 3.951 136 M HA 0.558 5.037 4.480 -0.002 0.000 0.444 136 M C 0.089 176.415 176.300 0.042 0.000 1.957 136 M CA -0.173 55.133 55.300 0.009 0.000 0.521 136 M CB 0.725 33.337 32.600 0.021 0.000 1.436 136 M HN 0.308 nan 8.290 nan 0.000 0.525 137 G N 1.450 110.283 108.800 0.056 0.000 2.483 137 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.521 137 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.521 137 G C -0.353 174.616 174.900 0.114 0.000 1.278 137 G CA -0.451 44.689 45.100 0.066 0.000 0.965 137 G HN 0.502 nan 8.290 nan 0.000 0.504 138 K N -0.243 120.213 120.400 0.094 0.000 2.296 138 K HA 0.033 4.352 4.320 -0.002 0.000 0.200 138 K C 1.503 178.208 176.600 0.175 0.000 1.048 138 K CA 0.690 57.049 56.287 0.121 0.000 0.966 138 K CB 0.209 32.746 32.500 0.061 0.000 0.754 138 K HN 0.402 nan 8.250 nan 0.000 0.466 139 R N 2.250 122.815 120.500 0.108 0.000 2.196 139 R HA 0.064 4.403 4.340 -0.002 0.000 0.340 139 R C -0.421 175.860 176.300 -0.032 0.000 1.043 139 R CA -0.203 55.931 56.100 0.057 0.000 0.883 139 R CB 0.780 31.092 30.300 0.020 0.000 1.078 139 R HN 0.036 nan 8.270 nan 0.000 0.462 140 S N 3.675 119.268 115.700 -0.179 0.000 2.584 140 S HA 0.059 4.528 4.470 -0.002 0.000 0.270 140 S C 1.591 175.992 174.600 -0.333 0.000 1.346 140 S CA -0.629 57.213 58.200 -0.596 0.000 1.018 140 S CB 0.766 63.260 63.200 -1.176 0.000 0.899 140 S HN 0.677 nan 8.310 nan 0.000 0.542 141 I N 0.926 121.299 120.570 -0.328 0.000 2.286 141 I HA -0.172 3.997 4.170 -0.002 0.000 0.248 141 I C 2.797 178.800 176.117 -0.189 0.000 1.115 141 I CA 1.777 62.958 61.300 -0.199 0.000 1.392 141 I CB -0.453 37.444 38.000 -0.173 0.000 1.065 141 I HN 0.927 nan 8.210 nan 0.000 0.418 142 E N 1.164 121.219 120.200 -0.242 0.000 2.130 142 E HA -0.336 4.013 4.350 -0.002 0.000 0.196 142 E C 1.666 178.184 176.600 -0.137 0.000 0.998 142 E CA 2.015 58.304 56.400 -0.184 0.000 0.806 142 E CB -0.044 29.542 29.700 -0.190 0.000 0.738 142 E HN 0.437 nan 8.360 nan 0.000 0.459 143 D N -0.714 119.604 120.400 -0.138 0.000 2.219 143 D HA -0.090 4.549 4.640 -0.002 0.000 0.205 143 D C 1.931 178.193 176.300 -0.064 0.000 0.970 143 D CA 0.888 54.838 54.000 -0.083 0.000 0.851 143 D CB 0.166 40.927 40.800 -0.066 0.000 0.943 143 D HN 0.114 nan 8.370 nan 0.000 0.488 144 R N -0.582 119.875 120.500 -0.072 0.000 2.090 144 R HA -0.007 4.332 4.340 -0.002 0.000 0.228 144 R C 2.306 178.586 176.300 -0.032 0.000 1.110 144 R CA 0.775 56.851 56.100 -0.040 0.000 0.973 144 R CB -0.210 30.069 30.300 -0.036 0.000 0.869 144 R HN 0.105 nan 8.270 nan 0.000 0.440 145 V N 1.191 121.057 119.914 -0.081 0.000 2.358 145 V HA -0.233 3.886 4.120 -0.002 0.000 0.246 145 V C 2.184 178.214 176.094 -0.107 0.000 1.047 145 V CA 1.699 63.915 62.300 -0.140 0.000 1.035 145 V CB -0.477 31.201 31.823 -0.241 0.000 0.658 145 V HN 0.342 nan 8.190 nan 0.000 0.452 146 Q N -0.223 119.536 119.800 -0.069 0.000 2.079 146 Q HA -0.246 4.093 4.340 -0.002 0.000 0.200 146 Q C 2.369 178.395 176.000 0.044 0.000 0.974 146 Q CA 1.772 57.566 55.803 -0.016 0.000 0.840 146 Q CB -0.188 28.540 28.738 -0.017 0.000 0.898 146 Q HN 0.740 nan 8.270 nan 0.000 0.430 147 E N 0.831 121.042 120.200 0.018 0.000 2.085 147 E HA -0.269 4.080 4.350 -0.002 0.000 0.194 147 E C 1.758 178.416 176.600 0.098 0.000 0.994 147 E CA 1.237 57.652 56.400 0.025 0.000 0.801 147 E CB 0.143 29.834 29.700 -0.015 0.000 0.743 147 E HN 0.156 nan 8.360 nan 0.000 0.453 148 E N 0.230 120.501 120.200 0.118 0.000 2.072 148 E HA -0.068 4.281 4.350 -0.002 0.000 0.190 148 E C 1.740 178.551 176.600 0.353 0.000 0.982 148 E CA 1.282 57.812 56.400 0.217 0.000 0.803 148 E CB -0.305 29.573 29.700 0.296 0.000 0.755 148 E HN 0.355 nan 8.360 nan 0.000 0.453 149 A N 0.377 123.407 122.820 0.350 0.000 1.978 149 A HA -0.235 4.084 4.320 -0.002 0.000 0.220 149 A C 2.209 179.941 177.584 0.246 0.000 1.170 149 A CA 1.801 54.078 52.037 0.400 0.000 0.636 149 A CB -0.856 18.265 19.000 0.201 0.000 0.810 149 A HN 0.474 nan 8.150 nan 0.000 0.448 150 H N -0.512 118.626 119.070 0.112 0.000 2.307 150 H HA -0.120 4.435 4.556 -0.002 0.000 0.303 150 H C 2.088 177.455 175.328 0.065 0.000 1.073 150 H CA 2.028 58.115 56.048 0.064 0.000 1.338 150 H CB -0.325 29.453 29.762 0.027 0.000 1.389 150 H HN 0.466 nan 8.280 nan 0.000 0.503 151 C N 1.019 120.424 119.300 0.175 0.000 2.411 151 C HA -0.122 4.337 4.460 -0.002 0.000 0.279 151 C C 2.953 178.030 174.990 0.145 0.000 1.288 151 C CA 0.675 59.734 59.018 0.068 0.000 1.764 151 C CB -1.229 26.429 27.740 -0.136 0.000 1.974 151 C HN 0.508 nan 8.230 nan 0.000 0.498 152 L N 2.088 123.422 121.223 0.185 0.000 1.994 152 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 152 L C 2.719 179.610 176.870 0.035 0.000 1.071 152 L CA 2.435 57.356 54.840 0.135 0.000 0.745 152 L CB -0.855 41.228 42.059 0.040 0.000 0.892 152 L HN 0.344 nan 8.230 nan 0.000 0.431 153 V N -3.036 116.901 119.914 0.038 0.000 2.515 153 V HA -0.117 4.002 4.120 -0.002 0.000 0.250 153 V C 2.235 178.397 176.094 0.114 0.000 1.058 153 V CA 1.531 63.912 62.300 0.134 0.000 1.064 153 V CB -0.971 30.888 31.823 0.061 0.000 0.675 153 V HN 0.445 nan 8.190 nan 0.000 0.461 154 E N 0.268 120.459 120.200 -0.015 0.000 2.268 154 E HA -0.106 4.243 4.350 -0.002 0.000 0.195 154 E C 2.205 178.851 176.600 0.077 0.000 0.995 154 E CA 1.008 57.414 56.400 0.010 0.000 0.836 154 E CB -0.177 29.503 29.700 -0.034 0.000 0.763 154 E HN 0.692 nan 8.360 nan 0.000 0.491 155 E N 0.519 120.772 120.200 0.089 0.000 2.051 155 E HA 0.005 4.354 4.350 -0.002 0.000 0.189 155 E C 2.377 178.964 176.600 -0.021 0.000 0.979 155 E CA 0.243 56.690 56.400 0.078 0.000 0.803 155 E CB -0.183 29.574 29.700 0.095 0.000 0.761 155 E HN 0.254 nan 8.360 nan 0.000 0.451 156 L N 0.480 121.615 121.223 -0.147 0.000 2.079 156 L HA -0.178 4.160 4.340 -0.002 0.000 0.210 156 L C 2.725 179.469 176.870 -0.211 0.000 1.081 156 L CA 1.124 55.718 54.840 -0.410 0.000 0.752 156 L CB -0.394 41.045 42.059 -1.033 0.000 0.896 156 L HN 0.048 nan 8.230 nan 0.000 0.433 157 R N 0.724 121.298 120.500 0.123 0.000 2.105 157 R HA -0.178 4.161 4.340 -0.002 0.000 0.239 157 R C 2.225 178.606 176.300 0.135 0.000 1.135 157 R CA 1.438 57.710 56.100 0.287 0.000 0.967 157 R CB -0.013 30.436 30.300 0.248 0.000 0.861 157 R HN 0.284 nan 8.270 nan 0.000 0.442 158 K N -0.650 119.799 120.400 0.082 0.000 2.283 158 K HA -0.068 4.251 4.320 -0.002 0.000 0.202 158 K C 1.624 178.258 176.600 0.057 0.000 1.048 158 K CA 1.550 57.879 56.287 0.070 0.000 0.948 158 K CB 0.008 32.550 32.500 0.070 0.000 0.742 158 K HN 0.378 nan 8.250 nan 0.000 0.458 159 T N -0.590 113.988 114.554 0.040 0.000 3.155 159 T HA -0.008 4.341 4.350 -0.002 0.000 0.264 159 T C 0.241 174.973 174.700 0.054 0.000 1.160 159 T CA 0.077 62.203 62.100 0.043 0.000 1.075 159 T CB -0.524 68.374 68.868 0.049 0.000 0.921 159 T HN 0.154 nan 8.240 nan 0.000 0.533 160 K N 0.789 121.232 120.400 0.071 0.000 3.177 160 K HA -0.199 4.120 4.320 -0.002 0.000 0.266 160 K C 0.960 177.608 176.600 0.079 0.000 0.937 160 K CA 0.165 56.501 56.287 0.081 0.000 0.702 160 K CB -2.231 30.307 32.500 0.064 0.000 1.365 160 K HN 0.814 nan 8.250 nan 0.000 0.466 161 A N -1.450 121.425 122.820 0.090 0.000 3.100 161 A HA -0.328 3.991 4.320 -0.002 0.000 0.268 161 A C 0.819 178.425 177.584 0.036 0.000 1.227 161 A CA 1.745 53.829 52.037 0.078 0.000 0.967 161 A CB -2.113 16.944 19.000 0.095 0.000 1.066 161 A HN 1.160 nan 8.150 nan 0.000 0.787 162 S N 0.367 116.085 115.700 0.031 0.000 2.603 162 S HA 0.597 5.066 4.470 -0.002 0.000 0.268 162 S C -1.705 172.888 174.600 -0.012 0.000 1.317 162 S CA -0.711 57.496 58.200 0.011 0.000 1.012 162 S CB 0.901 64.111 63.200 0.016 0.000 0.926 162 S HN 0.569 nan 8.310 nan 0.000 0.539 163 P HA 0.304 nan 4.420 nan 0.000 0.271 163 P C -0.220 177.056 177.300 -0.040 0.000 1.216 163 P CA -0.353 62.718 63.100 -0.049 0.000 0.776 163 P CB 0.112 31.789 31.700 -0.039 0.000 0.881 164 C N 0.674 119.938 119.300 -0.060 0.000 3.321 164 C HA 0.548 5.007 4.460 -0.002 0.000 0.329 164 C C -1.018 173.920 174.990 -0.086 0.000 1.394 164 C CA -0.827 58.165 59.018 -0.043 0.000 1.291 164 C CB 1.482 29.226 27.740 0.006 0.000 1.606 164 C HN 0.510 nan 8.230 nan 0.000 0.463 165 D N 2.280 122.627 120.400 -0.089 0.000 2.359 165 D HA 0.402 5.041 4.640 -0.002 0.000 0.230 165 D C -0.958 175.273 176.300 -0.115 0.000 1.118 165 D CA -1.732 52.167 54.000 -0.168 0.000 0.844 165 D CB 1.621 42.338 40.800 -0.139 0.000 1.059 165 D HN 0.549 nan 8.370 nan 0.000 0.493 166 P HA -0.111 nan 4.420 nan 0.000 0.226 166 P C 1.214 178.470 177.300 -0.073 0.000 1.153 166 P CA 0.471 63.554 63.100 -0.028 0.000 0.777 166 P CB 0.342 32.084 31.700 0.071 0.000 0.794 167 T N 0.758 115.239 114.554 -0.121 0.000 2.481 167 T HA -0.267 4.082 4.350 -0.002 0.000 0.252 167 T C 1.378 176.059 174.700 -0.032 0.000 1.242 167 T CA 2.112 64.166 62.100 -0.077 0.000 1.170 167 T CB -1.231 67.601 68.868 -0.061 0.000 0.860 167 T HN 0.082 nan 8.240 nan 0.000 0.422 168 F N 1.504 121.386 119.950 -0.113 0.000 2.043 168 F HA -0.103 4.423 4.527 -0.002 0.000 0.297 168 F C 2.224 177.937 175.800 -0.144 0.000 1.121 168 F CA 1.202 59.134 58.000 -0.114 0.000 1.199 168 F CB -0.689 38.251 39.000 -0.101 0.000 0.968 168 F HN 0.160 nan 8.300 nan 0.000 0.478 169 I N -0.348 120.000 120.570 -0.370 0.000 2.208 169 I HA -0.308 3.861 4.170 -0.002 0.000 0.245 169 I C 2.249 178.072 176.117 -0.491 0.000 1.097 169 I CA 0.910 61.896 61.300 -0.524 0.000 1.363 169 I CB -0.539 37.314 38.000 -0.245 0.000 1.051 169 I HN 0.213 nan 8.210 nan 0.000 0.413 170 L N 0.676 121.706 121.223 -0.321 0.000 2.141 170 L HA -0.061 4.278 4.340 -0.002 0.000 0.209 170 L C 2.451 179.138 176.870 -0.304 0.000 1.094 170 L CA 1.805 56.472 54.840 -0.288 0.000 0.763 170 L CB -1.354 40.612 42.059 -0.155 0.000 0.908 170 L HN 0.196 nan 8.230 nan 0.000 0.437 171 G N -2.328 106.297 108.800 -0.293 0.000 2.484 171 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.218 171 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.218 171 G C 1.651 176.415 174.900 -0.226 0.000 1.130 171 G CA 0.773 45.734 45.100 -0.232 0.000 0.784 171 G HN 0.438 nan 8.290 nan 0.000 0.543 172 C N 0.819 119.893 119.300 -0.376 0.000 2.453 172 C HA 0.168 4.627 4.460 -0.002 0.000 0.277 172 C C 3.478 178.519 174.990 0.086 0.000 1.262 172 C CA 0.783 59.705 59.018 -0.159 0.000 1.718 172 C CB -0.895 26.497 27.740 -0.580 0.000 2.031 172 C HN 0.579 nan 8.230 nan 0.000 0.480 173 A N 1.908 124.659 122.820 -0.114 0.000 1.859 173 A HA -0.186 4.133 4.320 -0.002 0.000 0.218 173 A C 0.191 177.868 177.584 0.155 0.000 1.209 173 A CA 2.411 54.430 52.037 -0.030 0.000 0.639 173 A CB -2.065 16.545 19.000 -0.651 0.000 0.835 173 A HN 0.446 nan 8.150 nan 0.000 0.450 174 P HA -0.138 nan 4.420 nan 0.000 0.216 174 P C 1.814 179.226 177.300 0.187 0.000 1.150 174 P CA 1.331 64.540 63.100 0.181 0.000 0.837 174 P CB -0.256 31.494 31.700 0.084 0.000 0.786 175 C N -1.037 118.400 119.300 0.228 0.000 2.446 175 C HA -0.045 4.414 4.460 -0.002 0.000 0.277 175 C C 2.564 177.859 174.990 0.509 0.000 1.275 175 C CA 1.092 60.332 59.018 0.369 0.000 1.727 175 C CB -2.045 25.907 27.740 0.352 0.000 2.010 175 C HN 0.175 nan 8.230 nan 0.000 0.486 176 N N 0.454 119.462 118.700 0.514 0.000 2.188 176 N HA -0.079 4.660 4.740 -0.002 0.000 0.184 176 N C 1.698 177.373 175.510 0.274 0.000 1.018 176 N CA 1.423 54.722 53.050 0.414 0.000 0.858 176 N CB -0.361 38.274 38.487 0.245 0.000 0.989 176 N HN 0.410 nan 8.380 nan 0.000 0.426 177 V N 1.688 121.741 119.914 0.232 0.000 2.252 177 V HA -0.240 3.879 4.120 -0.002 0.000 0.249 177 V C 2.301 178.412 176.094 0.027 0.000 1.056 177 V CA 1.199 63.578 62.300 0.132 0.000 1.022 177 V CB -0.404 31.502 31.823 0.138 0.000 0.641 177 V HN 0.262 nan 8.190 nan 0.000 0.445 178 I N -0.446 120.099 120.570 -0.040 0.000 2.208 178 I HA -0.273 3.896 4.170 -0.002 0.000 0.245 178 I C 2.663 178.581 176.117 -0.330 0.000 1.097 178 I CA 1.651 62.762 61.300 -0.314 0.000 1.363 178 I CB -1.482 36.158 38.000 -0.601 0.000 1.051 178 I HN 0.417 nan 8.210 nan 0.000 0.413 179 C N 0.832 120.153 119.300 0.035 0.000 2.413 179 C HA -0.156 4.303 4.460 -0.002 0.000 0.276 179 C C 3.186 178.295 174.990 0.198 0.000 1.236 179 C CA 1.570 60.776 59.018 0.314 0.000 1.735 179 C CB -1.197 27.043 27.740 0.833 0.000 2.031 179 C HN 0.673 nan 8.230 nan 0.000 0.474 180 S N -0.020 115.776 115.700 0.160 0.000 2.555 180 S HA -0.019 4.450 4.470 -0.002 0.000 0.230 180 S C 1.387 176.017 174.600 0.050 0.000 0.978 180 S CA 1.104 59.370 58.200 0.110 0.000 0.934 180 S CB -0.328 62.919 63.200 0.077 0.000 0.766 180 S HN 0.424 nan 8.310 nan 0.000 0.533 181 V N 1.386 121.285 119.914 -0.025 0.000 2.825 181 V HA 0.036 4.155 4.120 -0.002 0.000 0.246 181 V C 2.442 178.527 176.094 -0.016 0.000 1.068 181 V CA 1.156 63.431 62.300 -0.043 0.000 1.088 181 V CB 0.520 32.272 31.823 -0.119 0.000 0.733 181 V HN 0.655 nan 8.190 nan 0.000 0.468 182 V N -4.818 115.002 119.914 -0.157 0.000 3.212 182 V HA 0.211 4.330 4.120 -0.002 0.000 0.244 182 V C 1.827 177.927 176.094 0.009 0.000 1.151 182 V CA 0.803 63.008 62.300 -0.160 0.000 1.119 182 V CB -0.353 31.138 31.823 -0.553 0.000 0.838 182 V HN 0.317 nan 8.190 nan 0.000 0.470 183 F N 0.674 120.756 119.950 0.221 0.000 2.721 183 F HA 0.543 5.069 4.527 -0.002 0.000 0.301 183 F C 1.569 177.571 175.800 0.336 0.000 1.096 183 F CA -0.013 58.158 58.000 0.286 0.000 1.308 183 F CB 0.062 39.254 39.000 0.319 0.000 1.086 183 F HN 0.293 nan 8.300 nan 0.000 0.587 184 Q N -0.582 119.441 119.800 0.372 0.000 7.779 184 Q HA -0.155 4.184 4.340 -0.002 0.000 0.363 184 Q C 0.042 176.107 176.000 0.109 0.000 1.094 184 Q CA 0.646 56.568 55.803 0.199 0.000 0.534 184 Q CB -0.642 28.169 28.738 0.123 0.000 0.228 184 Q HN 0.331 nan 8.270 nan 0.000 0.882 185 K N 2.324 122.759 120.400 0.057 0.000 2.166 185 K HA 0.665 4.984 4.320 -0.002 0.000 0.245 185 K C -0.375 176.210 176.600 -0.024 0.000 0.967 185 K CA -0.751 55.532 56.287 -0.006 0.000 0.863 185 K CB 1.795 34.260 32.500 -0.058 0.000 1.107 185 K HN 0.393 nan 8.250 nan 0.000 0.436 186 R N 0.366 120.852 120.500 -0.023 0.000 2.726 186 R HA 0.218 4.557 4.340 -0.002 0.000 0.272 186 R C -0.883 175.352 176.300 -0.108 0.000 1.097 186 R CA -0.450 55.656 56.100 0.010 0.000 1.198 186 R CB 0.113 30.402 30.300 -0.019 0.000 1.114 186 R HN 0.383 nan 8.270 nan 0.000 0.550 187 F N -0.372 119.508 119.950 -0.117 0.000 2.403 187 F HA 0.161 4.687 4.527 -0.002 0.000 0.326 187 F C 0.896 176.508 175.800 -0.314 0.000 1.081 187 F CA -0.397 57.511 58.000 -0.153 0.000 1.041 187 F CB 0.980 39.900 39.000 -0.133 0.000 1.234 187 F HN 0.563 nan 8.300 nan 0.000 0.503 188 D N 1.266 121.681 120.400 0.025 0.000 2.308 188 D HA 0.000 4.639 4.640 -0.002 0.000 0.251 188 D C 0.793 177.106 176.300 0.021 0.000 1.127 188 D CA -0.014 53.947 54.000 -0.063 0.000 0.876 188 D CB 0.594 41.408 40.800 0.023 0.000 1.176 188 D HN 0.609 nan 8.370 nan 0.000 0.446 189 Y N 1.951 122.222 120.300 -0.049 0.000 2.283 189 Y HA -0.221 4.328 4.550 -0.001 0.000 0.285 189 Y C 2.183 178.218 175.900 0.226 0.000 1.176 189 Y CA 0.406 58.538 58.100 0.053 0.000 1.229 189 Y CB 0.267 38.764 38.460 0.063 0.000 0.975 189 Y HN 0.281 nan 8.280 nan 0.000 0.537 190 K N 0.003 120.590 120.400 0.312 0.000 2.361 190 K HA -0.045 4.274 4.320 -0.002 0.000 0.196 190 K C 0.084 176.824 176.600 0.233 0.000 1.039 190 K CA 0.197 56.634 56.287 0.249 0.000 1.001 190 K CB -0.414 32.189 32.500 0.171 0.000 0.795 190 K HN 0.204 nan 8.250 nan 0.000 0.495 191 D N 1.963 122.519 120.400 0.260 0.000 2.586 191 D HA -0.127 4.512 4.640 -0.002 0.000 0.234 191 D C 1.112 177.558 176.300 0.243 0.000 1.132 191 D CA 0.474 54.635 54.000 0.269 0.000 0.860 191 D CB 1.176 42.215 40.800 0.398 0.000 1.159 191 D HN -0.035 nan 8.370 nan 0.000 0.490 192 Q N 4.070 123.963 119.800 0.156 0.000 2.079 192 Q HA -0.142 4.197 4.340 -0.002 0.000 0.200 192 Q C 1.474 177.483 176.000 0.015 0.000 0.974 192 Q CA 1.789 57.639 55.803 0.078 0.000 0.840 192 Q CB -0.227 28.540 28.738 0.047 0.000 0.898 192 Q HN 0.642 nan 8.270 nan 0.000 0.430 193 N N -1.233 117.488 118.700 0.035 0.000 2.149 193 N HA -0.157 4.582 4.740 -0.002 0.000 0.188 193 N C 1.344 176.660 175.510 -0.324 0.000 1.019 193 N CA 0.969 53.949 53.050 -0.118 0.000 0.857 193 N CB -0.195 38.331 38.487 0.064 0.000 0.997 193 N HN 0.285 nan 8.380 nan 0.000 0.426 194 F N 1.212 120.921 119.950 -0.402 0.000 2.206 194 F HA -0.031 4.495 4.527 -0.002 0.000 0.298 194 F C 1.643 177.300 175.800 -0.238 0.000 1.090 194 F CA 0.792 58.472 58.000 -0.533 0.000 1.323 194 F CB -0.104 38.727 39.000 -0.282 0.000 1.028 194 F HN -0.082 nan 8.300 nan 0.000 0.492 195 L N 0.326 121.432 121.223 -0.195 0.000 2.109 195 L HA -0.112 4.227 4.340 -0.002 0.000 0.207 195 L C 2.789 179.504 176.870 -0.260 0.000 1.086 195 L CA 2.144 56.862 54.840 -0.204 0.000 0.760 195 L CB -1.667 40.402 42.059 0.016 0.000 0.910 195 L HN 0.398 nan 8.230 nan 0.000 0.437 196 T N -3.248 111.147 114.554 -0.265 0.000 2.978 196 T HA -0.095 4.254 4.350 -0.002 0.000 0.262 196 T C 1.870 176.334 174.700 -0.394 0.000 1.063 196 T CA 0.414 62.349 62.100 -0.274 0.000 1.140 196 T CB -0.416 68.311 68.868 -0.235 0.000 0.886 196 T HN 0.159 nan 8.240 nan 0.000 0.470 197 L N -0.380 120.533 121.223 -0.517 0.000 2.265 197 L HA 0.190 4.529 4.340 -0.002 0.000 0.215 197 L C 2.122 178.618 176.870 -0.625 0.000 1.117 197 L CA 1.662 56.108 54.840 -0.656 0.000 0.782 197 L CB -0.628 40.996 42.059 -0.726 0.000 0.914 197 L HN 0.463 nan 8.230 nan 0.000 0.441 198 M N -1.201 118.092 119.600 -0.511 0.000 2.556 198 M HA -0.065 4.414 4.480 -0.002 0.000 0.264 198 M C 1.930 178.120 176.300 -0.184 0.000 1.163 198 M CA 0.663 55.754 55.300 -0.349 0.000 1.186 198 M CB -0.035 32.245 32.600 -0.533 0.000 1.321 198 M HN -0.085 nan 8.290 nan 0.000 0.485 199 K N 0.762 121.050 120.400 -0.186 0.000 2.280 199 K HA -0.090 4.229 4.320 -0.002 0.000 0.202 199 K C 1.859 178.399 176.600 -0.099 0.000 1.047 199 K CA 1.148 57.375 56.287 -0.101 0.000 0.942 199 K CB -0.190 32.244 32.500 -0.111 0.000 0.739 199 K HN 0.444 nan 8.250 nan 0.000 0.457 200 R N -1.223 119.158 120.500 -0.198 0.000 2.075 200 R HA 0.027 4.366 4.340 -0.002 0.000 0.226 200 R C 2.385 178.635 176.300 -0.083 0.000 1.114 200 R CA 0.890 56.869 56.100 -0.202 0.000 0.972 200 R CB -0.226 29.857 30.300 -0.362 0.000 0.869 200 R HN 0.193 nan 8.270 nan 0.000 0.437 201 F N 1.084 120.991 119.950 -0.071 0.000 2.163 201 F HA -0.143 4.382 4.527 -0.002 0.000 0.297 201 F C 2.488 178.325 175.800 0.061 0.000 1.094 201 F CA 0.375 58.368 58.000 -0.011 0.000 1.290 201 F CB -0.137 38.839 39.000 -0.039 0.000 1.017 201 F HN 0.067 nan 8.300 nan 0.000 0.483 202 N N 0.735 119.567 118.700 0.220 0.000 2.289 202 N HA -0.207 4.532 4.740 -0.002 0.000 0.184 202 N C 1.715 177.348 175.510 0.205 0.000 1.016 202 N CA 1.215 54.381 53.050 0.193 0.000 0.872 202 N CB -0.114 38.437 38.487 0.106 0.000 0.973 202 N HN 0.435 nan 8.380 nan 0.000 0.433 203 E N 0.084 120.358 120.200 0.123 0.000 2.033 203 E HA -0.063 4.286 4.350 -0.002 0.000 0.189 203 E C 1.299 177.949 176.600 0.084 0.000 0.979 203 E CA 0.698 57.142 56.400 0.072 0.000 0.802 203 E CB 0.020 29.728 29.700 0.013 0.000 0.763 203 E HN 0.206 nan 8.360 nan 0.000 0.449 204 N N -0.076 118.695 118.700 0.118 0.000 2.289 204 N HA -0.143 4.596 4.740 -0.002 0.000 0.184 204 N C 1.318 176.898 175.510 0.117 0.000 1.016 204 N CA 0.783 53.901 53.050 0.113 0.000 0.872 204 N CB -0.246 38.342 38.487 0.168 0.000 0.973 204 N HN 0.233 nan 8.380 nan 0.000 0.433 205 F N 1.397 121.386 119.950 0.065 0.000 2.128 205 F HA 0.034 4.561 4.527 -0.002 0.000 0.295 205 F C 2.074 177.890 175.800 0.027 0.000 1.100 205 F CA 1.061 59.088 58.000 0.046 0.000 1.260 205 F CB 0.042 39.071 39.000 0.049 0.000 1.009 205 F HN -0.117 nan 8.300 nan 0.000 0.476 206 R N 0.267 120.712 120.500 -0.092 0.000 2.152 206 R HA -0.102 4.237 4.340 -0.002 0.000 0.232 206 R C 2.118 178.301 176.300 -0.196 0.000 1.117 206 R CA 1.626 57.619 56.100 -0.178 0.000 0.981 206 R CB -0.416 29.891 30.300 0.012 0.000 0.870 206 R HN 0.416 nan 8.270 nan 0.000 0.451 207 I N 0.371 120.857 120.570 -0.140 0.000 2.296 207 I HA -0.187 3.982 4.170 -0.002 0.000 0.242 207 I C 1.917 177.944 176.117 -0.149 0.000 1.087 207 I CA 0.854 62.079 61.300 -0.124 0.000 1.393 207 I CB -0.027 37.925 38.000 -0.080 0.000 1.093 207 I HN 0.057 nan 8.210 nan 0.000 0.421 208 L N 0.694 121.829 121.223 -0.146 0.000 2.549 208 L HA -0.117 4.222 4.340 -0.002 0.000 0.229 208 L C 1.174 177.934 176.870 -0.183 0.000 1.158 208 L CA 0.671 55.436 54.840 -0.125 0.000 0.842 208 L CB -0.693 41.329 42.059 -0.061 0.000 0.952 208 L HN 0.296 nan 8.230 nan 0.000 0.452 209 N N -0.634 117.869 118.700 -0.329 0.000 2.279 209 N HA -0.013 4.726 4.740 -0.002 0.000 0.226 209 N C 0.194 175.587 175.510 -0.196 0.000 1.126 209 N CA -0.075 52.769 53.050 -0.342 0.000 0.846 209 N CB 0.425 38.475 38.487 -0.728 0.000 1.050 209 N HN -0.025 nan 8.380 nan 0.000 0.502 210 S N -0.200 115.426 115.700 -0.124 0.000 2.586 210 S HA 0.354 4.823 4.470 -0.002 0.000 0.274 210 S C -1.557 173.039 174.600 -0.007 0.000 1.281 210 S CA -1.615 56.561 58.200 -0.040 0.000 1.035 210 S CB 1.031 64.244 63.200 0.021 0.000 0.962 210 S HN 0.057 nan 8.310 nan 0.000 0.512 211 P HA -0.059 nan 4.420 nan 0.000 0.217 211 P C 0.514 177.777 177.300 -0.061 0.000 1.148 211 P CA 1.165 64.213 63.100 -0.086 0.000 0.828 211 P CB -0.007 31.584 31.700 -0.181 0.000 0.783 212 W N -0.005 121.251 121.300 -0.074 0.000 2.350 212 W HA -0.163 4.496 4.660 -0.002 0.000 0.289 212 W C 1.941 178.426 176.519 -0.058 0.000 1.215 212 W CA 0.490 57.786 57.345 -0.081 0.000 1.236 212 W CB -0.995 28.323 29.460 -0.237 0.000 1.130 212 W HN 0.023 nan 8.180 nan 0.000 0.541 213 I N -1.869 118.789 120.570 0.146 0.000 2.394 213 I HA -0.213 3.956 4.170 -0.002 0.000 0.251 213 I C 2.124 178.303 176.117 0.104 0.000 1.136 213 I CA 1.542 62.892 61.300 0.084 0.000 1.425 213 I CB -1.219 36.789 38.000 0.014 0.000 1.079 213 I HN -0.054 nan 8.210 nan 0.000 0.425 214 Q N 1.285 121.148 119.800 0.104 0.000 2.079 214 Q HA -0.038 4.301 4.340 -0.002 0.000 0.200 214 Q C 2.600 178.716 176.000 0.193 0.000 0.974 214 Q CA 1.684 57.571 55.803 0.140 0.000 0.840 214 Q CB -0.576 28.253 28.738 0.152 0.000 0.898 214 Q HN 0.575 nan 8.270 nan 0.000 0.430 215 V N 0.118 120.148 119.914 0.193 0.000 2.270 215 V HA -0.274 3.845 4.120 -0.002 0.000 0.245 215 V C 2.510 178.825 176.094 0.368 0.000 1.043 215 V CA 1.586 64.064 62.300 0.296 0.000 1.014 215 V CB -0.767 31.207 31.823 0.251 0.000 0.645 215 V HN 0.342 nan 8.190 nan 0.000 0.447 216 C N 0.334 119.830 119.300 0.327 0.000 2.410 216 C HA -0.124 4.335 4.460 -0.002 0.000 0.281 216 C C 2.645 177.736 174.990 0.168 0.000 1.318 216 C CA 0.860 60.048 59.018 0.283 0.000 1.776 216 C CB -1.599 26.283 27.740 0.237 0.000 1.942 216 C HN 0.601 nan 8.230 nan 0.000 0.508 217 N N 1.067 119.836 118.700 0.115 0.000 2.331 217 N HA -0.043 4.696 4.740 -0.002 0.000 0.180 217 N C 1.366 176.872 175.510 -0.006 0.000 1.019 217 N CA 0.882 53.961 53.050 0.048 0.000 0.881 217 N CB -0.276 38.232 38.487 0.035 0.000 0.972 217 N HN 0.645 nan 8.380 nan 0.000 0.435 218 N N -0.571 118.090 118.700 -0.066 0.000 2.415 218 N HA 0.036 4.775 4.740 -0.002 0.000 0.174 218 N C -0.377 174.841 175.510 -0.487 0.000 1.048 218 N CA 0.319 53.181 53.050 -0.312 0.000 0.895 218 N CB 0.358 38.578 38.487 -0.444 0.000 1.036 218 N HN 0.109 nan 8.380 nan 0.000 0.449 219 F N 0.719 120.738 119.950 0.114 0.000 2.449 219 F HA 0.391 4.917 4.527 -0.001 0.000 0.329 219 F C -1.726 174.133 175.800 0.099 0.000 1.245 219 F CA -1.913 56.147 58.000 0.100 0.000 1.193 219 F CB 1.735 40.797 39.000 0.105 0.000 1.425 219 F HN -0.178 nan 8.300 nan 0.000 0.544 220 P HA -0.253 nan 4.420 nan 0.000 0.218 220 P C 1.766 179.148 177.300 0.137 0.000 1.152 220 P CA 1.628 64.806 63.100 0.129 0.000 0.857 220 P CB 0.181 31.930 31.700 0.082 0.000 0.787 221 L N -2.181 119.129 121.223 0.144 0.000 2.089 221 L HA -0.221 4.118 4.340 -0.002 0.000 0.213 221 L C 2.204 179.136 176.870 0.103 0.000 1.079 221 L CA 1.373 56.278 54.840 0.108 0.000 0.758 221 L CB -1.334 40.784 42.059 0.098 0.000 0.891 221 L HN -0.046 nan 8.230 nan 0.000 0.433 222 L N -0.653 120.664 121.223 0.157 0.000 2.261 222 L HA -0.222 4.117 4.340 -0.002 0.000 0.216 222 L C 2.302 179.268 176.870 0.160 0.000 1.114 222 L CA 1.546 56.479 54.840 0.156 0.000 0.777 222 L CB -0.608 41.633 42.059 0.303 0.000 0.910 222 L HN 0.211 nan 8.230 nan 0.000 0.440 223 I N -0.589 120.086 120.570 0.175 0.000 2.264 223 I HA -0.316 3.853 4.170 -0.002 0.000 0.248 223 I C 1.861 178.058 176.117 0.133 0.000 1.111 223 I CA 1.116 62.518 61.300 0.170 0.000 1.382 223 I CB -0.493 37.534 38.000 0.045 0.000 1.060 223 I HN 0.284 nan 8.210 nan 0.000 0.418 224 D N 0.450 120.892 120.400 0.070 0.000 2.221 224 D HA -0.151 4.488 4.640 -0.002 0.000 0.204 224 D C 1.993 178.239 176.300 -0.091 0.000 0.982 224 D CA 1.088 55.104 54.000 0.027 0.000 0.857 224 D CB -0.303 40.504 40.800 0.012 0.000 0.934 224 D HN 0.395 nan 8.370 nan 0.000 0.475 225 C N 0.003 119.155 119.300 -0.246 0.000 2.539 225 C HA 0.020 4.479 4.460 -0.002 0.000 0.271 225 C C 0.476 174.913 174.990 -0.921 0.000 1.412 225 C CA -0.219 58.447 59.018 -0.585 0.000 1.729 225 C CB -1.585 25.683 27.740 -0.787 0.000 1.739 225 C HN 0.072 nan 8.230 nan 0.000 0.570 226 F N -0.106 119.806 119.950 -0.063 0.000 2.593 226 F HA 0.307 4.833 4.527 -0.002 0.000 0.336 226 F C -1.771 174.037 175.800 0.013 0.000 1.491 226 F CA -2.117 55.839 58.000 -0.074 0.000 1.114 226 F CB -0.173 38.750 39.000 -0.127 0.000 1.468 226 F HN -0.036 nan 8.300 nan 0.000 0.579 227 P HA -0.105 nan 4.420 nan 0.000 0.214 227 P C 1.988 179.344 177.300 0.093 0.000 1.162 227 P CA 1.747 64.903 63.100 0.094 0.000 0.879 227 P CB 0.283 31.993 31.700 0.016 0.000 0.786 228 G N -0.795 108.046 108.800 0.068 0.000 2.480 228 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.216 228 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.216 228 G C 1.495 176.435 174.900 0.066 0.000 1.200 228 G CA 1.849 46.977 45.100 0.047 0.000 0.782 228 G HN 0.174 nan 8.290 nan 0.000 0.554 229 T N -0.346 114.259 114.554 0.084 0.000 2.699 229 T HA -0.191 4.158 4.350 -0.002 0.000 0.268 229 T C 1.919 176.685 174.700 0.110 0.000 1.036 229 T CA 1.671 63.803 62.100 0.053 0.000 1.147 229 T CB -0.497 68.366 68.868 -0.010 0.000 0.862 229 T HN 0.601 nan 8.240 nan 0.000 0.446 230 H N 1.126 120.218 119.070 0.037 0.000 2.267 230 H HA -0.095 4.460 4.556 -0.002 0.000 0.297 230 H C 2.362 177.701 175.328 0.019 0.000 1.080 230 H CA 1.743 57.812 56.048 0.035 0.000 1.278 230 H CB -0.124 29.670 29.762 0.053 0.000 1.365 230 H HN 0.422 nan 8.280 nan 0.000 0.489 231 N N -0.093 118.670 118.700 0.105 0.000 2.104 231 N HA -0.196 4.543 4.740 -0.002 0.000 0.190 231 N C 1.971 177.499 175.510 0.030 0.000 1.024 231 N CA 1.040 54.089 53.050 -0.002 0.000 0.853 231 N CB -0.069 38.398 38.487 -0.034 0.000 1.008 231 N HN 0.216 nan 8.380 nan 0.000 0.424 232 K N 1.370 121.792 120.400 0.038 0.000 2.044 232 K HA -0.126 4.193 4.320 -0.002 0.000 0.210 232 K C 1.796 178.413 176.600 0.027 0.000 1.049 232 K CA 1.103 57.401 56.287 0.018 0.000 0.927 232 K CB -0.492 32.014 32.500 0.010 0.000 0.713 232 K HN -0.052 nan 8.250 nan 0.000 0.443 233 V N 1.026 120.974 119.914 0.057 0.000 2.220 233 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 233 V C 2.327 178.461 176.094 0.067 0.000 1.049 233 V CA 2.141 64.478 62.300 0.062 0.000 1.003 233 V CB -0.509 31.357 31.823 0.071 0.000 0.634 233 V HN 0.328 nan 8.190 nan 0.000 0.444 234 L N -0.072 121.211 121.223 0.101 0.000 2.129 234 L HA -0.260 4.079 4.340 -0.002 0.000 0.212 234 L C 2.574 179.465 176.870 0.035 0.000 1.087 234 L CA 1.906 56.794 54.840 0.080 0.000 0.757 234 L CB -0.668 41.445 42.059 0.090 0.000 0.896 234 L HN 0.346 nan 8.230 nan 0.000 0.434 235 K N 0.672 121.082 120.400 0.017 0.000 2.002 235 K HA -0.171 4.148 4.320 -0.002 0.000 0.209 235 K C 1.844 178.431 176.600 -0.022 0.000 1.048 235 K CA 1.676 57.958 56.287 -0.008 0.000 0.930 235 K CB -0.228 32.262 32.500 -0.017 0.000 0.714 235 K HN 0.163 nan 8.250 nan 0.000 0.438 236 N N 0.050 118.735 118.700 -0.026 0.000 2.166 236 N HA -0.116 4.623 4.740 -0.002 0.000 0.186 236 N C 1.668 177.146 175.510 -0.053 0.000 1.019 236 N CA 1.306 54.317 53.050 -0.064 0.000 0.856 236 N CB -0.256 38.196 38.487 -0.058 0.000 0.993 236 N HN 0.041 nan 8.380 nan 0.000 0.426 237 V N 1.227 121.146 119.914 0.010 0.000 2.626 237 V HA -0.123 3.996 4.120 -0.002 0.000 0.252 237 V C 2.251 178.363 176.094 0.029 0.000 1.067 237 V CA 1.495 63.822 62.300 0.045 0.000 1.081 237 V CB -0.746 31.122 31.823 0.075 0.000 0.686 237 V HN 0.273 nan 8.190 nan 0.000 0.468 238 A N 0.283 123.110 122.820 0.012 0.000 1.841 238 A HA -0.112 4.207 4.320 -0.002 0.000 0.214 238 A C 2.151 179.734 177.584 -0.001 0.000 1.195 238 A CA 1.627 53.670 52.037 0.011 0.000 0.611 238 A CB -0.567 18.435 19.000 0.004 0.000 0.835 238 A HN 0.460 nan 8.150 nan 0.000 0.443 239 L N -0.505 120.698 121.223 -0.033 0.000 2.043 239 L HA -0.210 4.129 4.340 -0.002 0.000 0.212 239 L C 2.769 179.607 176.870 -0.054 0.000 1.075 239 L CA 1.882 56.690 54.840 -0.054 0.000 0.752 239 L CB -1.342 40.654 42.059 -0.106 0.000 0.891 239 L HN 0.364 nan 8.230 nan 0.000 0.432 240 T N -0.822 113.669 114.554 -0.104 0.000 2.668 240 T HA -0.109 4.240 4.350 -0.002 0.000 0.262 240 T C 2.083 176.828 174.700 0.075 0.000 1.045 240 T CA 0.897 62.931 62.100 -0.110 0.000 1.152 240 T CB -0.130 68.589 68.868 -0.248 0.000 0.864 240 T HN 0.196 nan 8.240 nan 0.000 0.419 241 R N 1.699 122.247 120.500 0.080 0.000 2.094 241 R HA -0.100 4.239 4.340 -0.002 0.000 0.239 241 R C 2.980 179.336 176.300 0.093 0.000 1.137 241 R CA 1.929 58.091 56.100 0.104 0.000 0.943 241 R CB -1.516 28.832 30.300 0.081 0.000 0.850 241 R HN 0.612 nan 8.270 nan 0.000 0.433 242 S N 0.009 115.753 115.700 0.073 0.000 2.400 242 S HA -0.204 4.265 4.470 -0.002 0.000 0.232 242 S C 2.048 176.698 174.600 0.082 0.000 1.025 242 S CA 1.186 59.423 58.200 0.063 0.000 0.993 242 S CB -0.619 62.611 63.200 0.049 0.000 0.808 242 S HN 0.462 nan 8.310 nan 0.000 0.478 243 Y N 2.130 122.417 120.300 -0.023 0.000 2.200 243 Y HA 0.118 4.667 4.550 -0.002 0.000 0.290 243 Y C 1.974 177.861 175.900 -0.023 0.000 1.137 243 Y CA 1.103 59.178 58.100 -0.041 0.000 1.163 243 Y CB -0.415 37.995 38.460 -0.082 0.000 0.988 243 Y HN 0.240 nan 8.280 nan 0.000 0.518 244 I N -0.040 120.560 120.570 0.051 0.000 2.286 244 I HA -0.318 3.851 4.170 -0.002 0.000 0.248 244 I C 2.538 178.638 176.117 -0.028 0.000 1.115 244 I CA 1.423 62.760 61.300 0.062 0.000 1.392 244 I CB -0.418 37.752 38.000 0.284 0.000 1.065 244 I HN 0.175 nan 8.210 nan 0.000 0.418 245 R N 0.553 121.051 120.500 -0.003 0.000 2.115 245 R HA -0.161 4.178 4.340 -0.002 0.000 0.230 245 R C 2.140 178.412 176.300 -0.048 0.000 1.111 245 R CA 1.242 57.339 56.100 -0.005 0.000 0.976 245 R CB -0.114 30.197 30.300 0.019 0.000 0.870 245 R HN 0.444 nan 8.270 nan 0.000 0.445 246 E N 0.214 120.350 120.200 -0.107 0.000 2.051 246 E HA -0.209 4.140 4.350 -0.002 0.000 0.192 246 E C 1.884 178.394 176.600 -0.149 0.000 0.991 246 E CA 1.221 57.549 56.400 -0.120 0.000 0.799 246 E CB 0.093 29.703 29.700 -0.151 0.000 0.748 246 E HN -0.019 nan 8.360 nan 0.000 0.449 247 K N 0.496 120.718 120.400 -0.298 0.000 2.063 247 K HA -0.122 4.197 4.320 -0.002 0.000 0.208 247 K C 1.947 178.529 176.600 -0.031 0.000 1.048 247 K CA 0.603 56.739 56.287 -0.253 0.000 0.928 247 K CB -0.676 31.470 32.500 -0.590 0.000 0.713 247 K HN 0.021 nan 8.250 nan 0.000 0.442 248 V N 0.816 120.709 119.914 -0.034 0.000 2.626 248 V HA -0.250 3.869 4.120 -0.002 0.000 0.252 248 V C 1.577 177.728 176.094 0.095 0.000 1.067 248 V CA 1.708 64.030 62.300 0.036 0.000 1.081 248 V CB -0.168 31.679 31.823 0.040 0.000 0.686 248 V HN 0.317 nan 8.190 nan 0.000 0.468 249 K N -0.464 119.971 120.400 0.058 0.000 2.062 249 K HA -0.134 4.185 4.320 -0.002 0.000 0.205 249 K C 2.063 178.711 176.600 0.079 0.000 1.051 249 K CA 1.614 57.936 56.287 0.059 0.000 0.941 249 K CB -0.168 32.350 32.500 0.029 0.000 0.719 249 K HN 0.550 nan 8.250 nan 0.000 0.440 250 E N 0.319 120.571 120.200 0.086 0.000 2.058 250 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 250 E C 1.946 178.619 176.600 0.121 0.000 0.997 250 E CA 1.403 57.856 56.400 0.088 0.000 0.801 250 E CB -0.129 29.624 29.700 0.087 0.000 0.746 250 E HN 0.357 nan 8.360 nan 0.000 0.450 251 H N 0.317 119.409 119.070 0.037 0.000 2.489 251 H HA -0.057 4.498 4.556 -0.002 0.000 0.293 251 H C 1.922 177.286 175.328 0.060 0.000 1.066 251 H CA 1.133 57.221 56.048 0.066 0.000 1.305 251 H CB 0.052 29.881 29.762 0.112 0.000 1.386 251 H HN 0.205 nan 8.280 nan 0.000 0.551 252 Q N -0.603 119.295 119.800 0.163 0.000 2.096 252 Q HA 0.038 4.377 4.340 -0.002 0.000 0.197 252 Q C 2.535 178.573 176.000 0.063 0.000 0.964 252 Q CA 0.882 56.748 55.803 0.106 0.000 0.838 252 Q CB 0.066 28.858 28.738 0.091 0.000 0.906 252 Q HN 0.486 nan 8.270 nan 0.000 0.444 253 A N 1.140 123.990 122.820 0.050 0.000 1.972 253 A HA -0.141 4.178 4.320 -0.002 0.000 0.219 253 A C 2.029 179.621 177.584 0.014 0.000 1.169 253 A CA 1.718 53.771 52.037 0.027 0.000 0.635 253 A CB -0.286 18.727 19.000 0.020 0.000 0.810 253 A HN 0.386 nan 8.150 nan 0.000 0.446 254 S N -1.184 114.518 115.700 0.004 0.000 2.582 254 S HA 0.351 4.820 4.470 -0.002 0.000 0.234 254 S C 0.178 174.772 174.600 -0.011 0.000 0.961 254 S CA -0.469 57.720 58.200 -0.017 0.000 0.953 254 S CB -0.446 62.721 63.200 -0.054 0.000 0.800 254 S HN 0.287 nan 8.310 nan 0.000 0.471 255 L N 3.581 124.814 121.223 0.016 0.000 2.638 255 L HA 0.318 4.657 4.340 -0.002 0.000 0.273 255 L C -0.368 176.512 176.870 0.016 0.000 1.147 255 L CA 0.461 55.318 54.840 0.028 0.000 0.941 255 L CB -0.099 41.991 42.059 0.052 0.000 1.251 255 L HN 0.135 nan 8.230 nan 0.000 0.479 256 D N 3.775 124.181 120.400 0.010 0.000 2.443 256 D HA 0.011 4.650 4.640 -0.002 0.000 0.221 256 D C 1.068 177.375 176.300 0.011 0.000 1.097 256 D CA -0.080 53.924 54.000 0.006 0.000 0.865 256 D CB 1.300 42.100 40.800 -0.001 0.000 1.034 256 D HN 0.403 nan 8.370 nan 0.000 0.511 257 V N 4.891 124.810 119.914 0.009 0.000 2.453 257 V HA -0.229 3.890 4.120 -0.002 0.000 0.252 257 V C 1.383 177.477 176.094 0.001 0.000 1.068 257 V CA 1.771 64.074 62.300 0.006 0.000 1.070 257 V CB -0.371 31.452 31.823 -0.000 0.000 0.664 257 V HN 0.479 nan 8.190 nan 0.000 0.461 258 N N 2.028 120.727 118.700 -0.002 0.000 2.453 258 N HA -0.036 4.703 4.740 -0.002 0.000 0.183 258 N C 0.046 175.555 175.510 -0.002 0.000 1.041 258 N CA 1.225 54.272 53.050 -0.005 0.000 0.900 258 N CB -0.325 38.158 38.487 -0.007 0.000 0.961 258 N HN 0.902 nan 8.380 nan 0.000 0.443 259 N N -0.327 118.376 118.700 0.004 0.000 2.664 259 N HA 0.270 5.009 4.740 -0.002 0.000 0.268 259 N C -3.321 172.201 175.510 0.019 0.000 1.222 259 N CA -1.182 51.874 53.050 0.010 0.000 0.805 259 N CB 1.222 39.713 38.487 0.007 0.000 1.399 259 N HN -0.195 nan 8.380 nan 0.000 0.547 260 P HA 0.269 nan 4.420 nan 0.000 0.268 260 P C 0.545 177.877 177.300 0.053 0.000 1.205 260 P CA -0.279 62.849 63.100 0.045 0.000 0.771 260 P CB 1.366 33.090 31.700 0.040 0.000 0.858 261 R N 1.243 121.785 120.500 0.070 0.000 2.128 261 R HA 0.105 4.444 4.340 -0.002 0.000 0.211 261 R C 0.238 176.605 176.300 0.111 0.000 1.067 261 R CA 0.957 57.099 56.100 0.071 0.000 1.010 261 R CB -0.015 30.312 30.300 0.045 0.000 0.922 261 R HN 0.660 nan 8.270 nan 0.000 0.457 262 D N -2.884 117.615 120.400 0.166 0.000 2.946 262 D HA -0.018 4.621 4.640 -0.002 0.000 0.337 262 D C 0.148 176.583 176.300 0.226 0.000 1.332 262 D CA -0.791 53.331 54.000 0.203 0.000 0.935 262 D CB -0.281 40.686 40.800 0.278 0.000 1.440 262 D HN -0.191 nan 8.370 nan 0.000 0.540 263 F N 0.163 120.176 119.950 0.104 0.000 2.161 263 F HA 0.029 4.555 4.527 -0.002 0.000 0.300 263 F C 1.859 177.803 175.800 0.241 0.000 1.089 263 F CA 1.514 59.596 58.000 0.136 0.000 1.282 263 F CB -0.117 38.913 39.000 0.051 0.000 1.010 263 F HN 0.310 nan 8.300 nan 0.000 0.485 264 I N -0.354 120.424 120.570 0.346 0.000 2.252 264 I HA -0.277 3.892 4.170 -0.002 0.000 0.245 264 I C 2.035 178.326 176.117 0.290 0.000 1.102 264 I CA 1.276 62.736 61.300 0.267 0.000 1.385 264 I CB -0.587 37.420 38.000 0.013 0.000 1.064 264 I HN 0.047 nan 8.210 nan 0.000 0.414 265 D N 0.707 121.299 120.400 0.319 0.000 2.104 265 D HA -0.173 4.466 4.640 -0.002 0.000 0.194 265 D C 2.318 178.715 176.300 0.162 0.000 0.994 265 D CA 1.395 55.532 54.000 0.229 0.000 0.830 265 D CB -0.408 40.499 40.800 0.178 0.000 0.959 265 D HN 0.365 nan 8.370 nan 0.000 0.452 266 C N 0.260 119.641 119.300 0.134 0.000 2.413 266 C HA -0.161 4.298 4.460 -0.002 0.000 0.276 266 C C 2.560 177.690 174.990 0.232 0.000 1.248 266 C CA 0.122 59.208 59.018 0.113 0.000 1.742 266 C CB -1.332 26.395 27.740 -0.023 0.000 2.017 266 C HN 0.275 nan 8.230 nan 0.000 0.481 267 F N 0.974 120.999 119.950 0.126 0.000 2.186 267 F HA -0.056 4.470 4.527 -0.002 0.000 0.299 267 F C 2.176 177.933 175.800 -0.072 0.000 1.090 267 F CA 1.372 59.325 58.000 -0.079 0.000 1.307 267 F CB -0.240 38.702 39.000 -0.098 0.000 1.019 267 F HN 0.116 nan 8.300 nan 0.000 0.489 268 L N -0.396 120.966 121.223 0.231 0.000 2.017 268 L HA -0.262 4.077 4.340 -0.002 0.000 0.208 268 L C 2.372 179.258 176.870 0.027 0.000 1.073 268 L CA 0.661 55.591 54.840 0.151 0.000 0.745 268 L CB -0.714 41.443 42.059 0.163 0.000 0.894 268 L HN 0.125 nan 8.230 nan 0.000 0.432 269 I N 0.325 120.905 120.570 0.015 0.000 2.163 269 I HA -0.304 3.865 4.170 -0.002 0.000 0.243 269 I C 2.583 178.629 176.117 -0.118 0.000 1.085 269 I CA 1.547 62.829 61.300 -0.030 0.000 1.347 269 I CB -1.068 36.926 38.000 -0.011 0.000 1.044 269 I HN 0.241 nan 8.210 nan 0.000 0.408 270 K N 0.993 121.261 120.400 -0.221 0.000 2.057 270 K HA -0.131 4.188 4.320 -0.002 0.000 0.207 270 K C 2.159 178.502 176.600 -0.428 0.000 1.049 270 K CA 1.481 57.501 56.287 -0.446 0.000 0.931 270 K CB -0.317 31.666 32.500 -0.861 0.000 0.714 270 K HN 0.151 nan 8.250 nan 0.000 0.440 271 M N 0.257 119.661 119.600 -0.328 0.000 2.065 271 M HA -0.213 4.266 4.480 -0.002 0.000 0.259 271 M C 2.106 178.352 176.300 -0.090 0.000 1.071 271 M CA 2.168 57.380 55.300 -0.146 0.000 1.109 271 M CB -0.447 32.153 32.600 -0.001 0.000 1.313 271 M HN 0.181 nan 8.290 nan 0.000 0.408 272 E N 0.616 120.776 120.200 -0.066 0.000 2.136 272 E HA -0.274 4.075 4.350 -0.002 0.000 0.202 272 E C 1.701 178.265 176.600 -0.060 0.000 1.019 272 E CA 2.166 58.540 56.400 -0.043 0.000 0.819 272 E CB -0.213 29.468 29.700 -0.032 0.000 0.739 272 E HN 0.602 nan 8.360 nan 0.000 0.458 273 Q N -0.424 119.316 119.800 -0.100 0.000 1.990 273 Q HA -0.122 4.217 4.340 -0.002 0.000 0.200 273 Q C 2.031 177.979 176.000 -0.086 0.000 0.980 273 Q CA 1.483 57.226 55.803 -0.100 0.000 0.832 273 Q CB -0.224 28.429 28.738 -0.142 0.000 0.897 273 Q HN 0.178 nan 8.270 nan 0.000 0.427 274 E N 1.006 121.140 120.200 -0.109 0.000 2.516 274 E HA -0.089 4.260 4.350 -0.002 0.000 0.199 274 E C 1.362 177.951 176.600 -0.018 0.000 1.069 274 E CA 0.285 56.651 56.400 -0.056 0.000 0.876 274 E CB -0.069 29.612 29.700 -0.033 0.000 0.843 274 E HN 0.191 nan 8.360 nan 0.000 0.530 275 K N 0.728 121.114 120.400 -0.023 0.000 2.097 275 K HA -0.264 4.055 4.320 -0.002 0.000 0.214 275 K C 0.861 177.463 176.600 0.003 0.000 1.052 275 K CA 1.978 58.263 56.287 -0.004 0.000 0.932 275 K CB -0.029 32.466 32.500 -0.008 0.000 0.716 275 K HN 0.152 nan 8.250 nan 0.000 0.455 276 D N 0.142 120.541 120.400 -0.002 0.000 2.310 276 D HA -0.112 4.527 4.640 -0.002 0.000 0.212 276 D C 0.451 176.755 176.300 0.007 0.000 0.965 276 D CA 0.590 54.591 54.000 0.001 0.000 0.879 276 D CB -0.328 40.470 40.800 -0.003 0.000 0.921 276 D HN 0.376 nan 8.370 nan 0.000 0.510 277 N N 1.333 120.039 118.700 0.009 0.000 2.419 277 N HA -0.025 4.714 4.740 -0.002 0.000 0.264 277 N C 0.557 176.081 175.510 0.024 0.000 1.031 277 N CA -0.251 52.809 53.050 0.017 0.000 0.951 277 N CB 0.800 39.299 38.487 0.021 0.000 1.101 277 N HN -0.235 nan 8.380 nan 0.000 0.488 278 Q N 2.663 122.476 119.800 0.022 0.000 2.280 278 Q HA 0.003 4.342 4.340 -0.002 0.000 0.201 278 Q C 1.045 177.059 176.000 0.023 0.000 0.890 278 Q CA 0.462 56.279 55.803 0.023 0.000 0.947 278 Q CB 0.195 28.945 28.738 0.019 0.000 1.081 278 Q HN 0.701 nan 8.270 nan 0.000 0.502 279 K N -0.769 119.646 120.400 0.025 0.000 2.202 279 K HA 0.083 4.402 4.320 -0.002 0.000 0.201 279 K C 0.737 177.352 176.600 0.025 0.000 1.051 279 K CA 0.281 56.581 56.287 0.022 0.000 0.977 279 K CB 0.095 32.608 32.500 0.022 0.000 0.792 279 K HN -0.010 nan 8.250 nan 0.000 0.469 280 S N 1.875 117.602 115.700 0.044 0.000 2.953 280 S HA -0.093 4.376 4.470 -0.002 0.000 0.348 280 S C 0.839 175.451 174.600 0.021 0.000 1.215 280 S CA -0.024 58.222 58.200 0.077 0.000 1.019 280 S CB 0.341 63.613 63.200 0.119 0.000 0.726 280 S HN 0.318 nan 8.310 nan 0.000 0.503 281 E N 3.873 124.015 120.200 -0.096 0.000 2.274 281 E HA -0.044 4.305 4.350 -0.002 0.000 0.194 281 E C 0.028 176.456 176.600 -0.287 0.000 0.996 281 E CA 0.606 56.856 56.400 -0.251 0.000 0.840 281 E CB -0.098 29.344 29.700 -0.429 0.000 0.772 281 E HN 0.790 nan 8.360 nan 0.000 0.491 282 F N 3.076 122.984 119.950 -0.071 0.000 2.613 282 F HA 0.061 4.587 4.527 -0.002 0.000 0.341 282 F C 0.615 176.436 175.800 0.034 0.000 1.288 282 F CA -0.403 57.505 58.000 -0.152 0.000 1.103 282 F CB -0.574 38.064 39.000 -0.603 0.000 1.423 282 F HN -0.050 nan 8.300 nan 0.000 0.651 283 N N 0.364 119.249 118.700 0.309 0.000 2.697 283 N HA 0.443 5.182 4.740 -0.002 0.000 0.272 283 N C 0.376 176.027 175.510 0.235 0.000 1.381 283 N CA -0.987 52.196 53.050 0.221 0.000 0.797 283 N CB 0.856 39.411 38.487 0.113 0.000 1.523 283 N HN 0.189 nan 8.380 nan 0.000 0.518 284 I N -0.969 119.687 120.570 0.144 0.000 2.700 284 I HA -0.176 3.993 4.170 -0.002 0.000 0.261 284 I C 1.631 177.766 176.117 0.030 0.000 1.219 284 I CA 1.189 62.539 61.300 0.084 0.000 1.463 284 I CB -0.269 37.773 38.000 0.070 0.000 1.092 284 I HN 0.615 nan 8.210 nan 0.000 0.452 285 E N 1.467 121.692 120.200 0.041 0.000 2.008 285 E HA -0.148 4.201 4.350 -0.002 0.000 0.191 285 E C 1.924 178.519 176.600 -0.008 0.000 0.986 285 E CA 1.221 57.634 56.400 0.021 0.000 0.807 285 E CB -0.179 29.538 29.700 0.029 0.000 0.766 285 E HN 0.282 nan 8.360 nan 0.000 0.450 286 N N 0.328 119.026 118.700 -0.003 0.000 2.272 286 N HA -0.152 4.587 4.740 -0.002 0.000 0.185 286 N C 1.698 177.088 175.510 -0.200 0.000 1.014 286 N CA 0.547 53.576 53.050 -0.035 0.000 0.870 286 N CB -0.221 38.280 38.487 0.024 0.000 0.975 286 N HN 0.125 nan 8.380 nan 0.000 0.433 287 L N 1.031 122.017 121.223 -0.395 0.000 1.961 287 L HA -0.093 4.246 4.340 -0.002 0.000 0.210 287 L C 2.122 178.837 176.870 -0.259 0.000 1.072 287 L CA 1.432 55.826 54.840 -0.743 0.000 0.749 287 L CB -0.946 40.708 42.059 -0.675 0.000 0.889 287 L HN -0.123 nan 8.230 nan 0.000 0.432 288 V N 0.496 120.347 119.914 -0.105 0.000 2.380 288 V HA -0.281 3.838 4.120 -0.002 0.000 0.251 288 V C 2.602 178.717 176.094 0.035 0.000 1.063 288 V CA 1.888 64.193 62.300 0.008 0.000 1.055 288 V CB -1.847 29.997 31.823 0.034 0.000 0.657 288 V HN 0.672 nan 8.190 nan 0.000 0.455 289 G N -0.646 108.158 108.800 0.006 0.000 2.404 289 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.215 289 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.215 289 G C 1.676 176.594 174.900 0.029 0.000 1.174 289 G CA 1.347 46.467 45.100 0.033 0.000 0.780 289 G HN 0.470 nan 8.290 nan 0.000 0.537 290 T N 0.885 115.435 114.554 -0.006 0.000 2.833 290 T HA -0.084 4.265 4.350 -0.002 0.000 0.269 290 T C 2.521 177.181 174.700 -0.067 0.000 1.054 290 T CA 1.130 63.233 62.100 0.006 0.000 1.135 290 T CB -0.129 68.791 68.868 0.087 0.000 0.869 290 T HN 0.067 nan 8.240 nan 0.000 0.466 291 V N 1.526 121.418 119.914 -0.037 0.000 2.358 291 V HA -0.105 4.014 4.120 -0.002 0.000 0.246 291 V C 2.871 179.034 176.094 0.115 0.000 1.047 291 V CA 1.564 63.833 62.300 -0.051 0.000 1.035 291 V CB -1.145 30.735 31.823 0.095 0.000 0.658 291 V HN 0.509 nan 8.190 nan 0.000 0.452 292 A N -0.033 122.904 122.820 0.195 0.000 1.877 292 A HA -0.260 4.059 4.320 -0.002 0.000 0.216 292 A C 1.992 179.639 177.584 0.105 0.000 1.186 292 A CA 2.090 54.284 52.037 0.262 0.000 0.620 292 A CB -0.708 18.423 19.000 0.217 0.000 0.822 292 A HN 0.512 nan 8.150 nan 0.000 0.443 293 D N 0.128 120.551 120.400 0.038 0.000 2.123 293 D HA -0.142 4.497 4.640 -0.002 0.000 0.196 293 D C 1.940 178.194 176.300 -0.076 0.000 0.992 293 D CA 1.086 55.081 54.000 -0.008 0.000 0.833 293 D CB -0.349 40.456 40.800 0.008 0.000 0.954 293 D HN 0.458 nan 8.370 nan 0.000 0.455 294 L N -0.608 120.524 121.223 -0.151 0.000 2.042 294 L HA -0.179 4.160 4.340 -0.002 0.000 0.210 294 L C 2.396 179.092 176.870 -0.289 0.000 1.076 294 L CA 0.949 55.621 54.840 -0.279 0.000 0.749 294 L CB -0.521 41.240 42.059 -0.497 0.000 0.893 294 L HN 0.019 nan 8.230 nan 0.000 0.432 295 F N -0.542 119.249 119.950 -0.265 0.000 2.102 295 F HA -0.226 4.300 4.527 -0.002 0.000 0.298 295 F C 2.469 177.966 175.800 -0.504 0.000 1.105 295 F CA 1.363 59.130 58.000 -0.389 0.000 1.239 295 F CB -0.562 38.098 39.000 -0.566 0.000 0.991 295 F HN -0.239 nan 8.300 nan 0.000 0.474 296 V N -0.054 119.681 119.914 -0.299 0.000 2.233 296 V HA -0.346 3.773 4.120 -0.002 0.000 0.247 296 V C 2.503 178.529 176.094 -0.113 0.000 1.050 296 V CA 2.032 64.190 62.300 -0.237 0.000 1.010 296 V CB -1.248 30.506 31.823 -0.116 0.000 0.637 296 V HN 0.373 nan 8.190 nan 0.000 0.444 297 A N -0.433 122.338 122.820 -0.081 0.000 2.067 297 A HA 0.029 4.348 4.320 -0.002 0.000 0.219 297 A C 2.105 179.664 177.584 -0.042 0.000 1.158 297 A CA 1.749 53.764 52.037 -0.037 0.000 0.661 297 A CB -0.571 18.416 19.000 -0.021 0.000 0.801 297 A HN 0.610 nan 8.150 nan 0.000 0.452 298 G N -2.786 105.963 108.800 -0.086 0.000 3.079 298 G HA2 0.249 4.208 3.960 -0.002 0.000 0.233 298 G HA3 0.249 4.208 3.960 -0.002 0.000 0.233 298 G C 1.123 175.993 174.900 -0.050 0.000 1.062 298 G CA 0.977 46.039 45.100 -0.064 0.000 0.809 298 G HN 0.346 nan 8.290 nan 0.000 0.535 299 T N 0.842 115.351 114.554 -0.075 0.000 2.896 299 T HA 0.023 4.372 4.350 -0.002 0.000 0.238 299 T C 2.032 176.662 174.700 -0.117 0.000 1.045 299 T CA 1.046 63.115 62.100 -0.053 0.000 1.248 299 T CB -0.070 68.784 68.868 -0.022 0.000 0.955 299 T HN 0.089 nan 8.240 nan 0.000 0.416 300 E N 1.012 121.071 120.200 -0.235 0.000 2.160 300 E HA -0.109 4.240 4.350 -0.002 0.000 0.195 300 E C 2.430 178.848 176.600 -0.304 0.000 0.991 300 E CA 1.520 57.659 56.400 -0.435 0.000 0.810 300 E CB -0.616 28.463 29.700 -1.035 0.000 0.742 300 E HN 0.693 nan 8.360 nan 0.000 0.466 301 T N -2.491 111.963 114.554 -0.167 0.000 2.595 301 T HA -0.193 4.156 4.350 -0.002 0.000 0.264 301 T C 2.047 176.739 174.700 -0.014 0.000 1.058 301 T CA 1.974 64.041 62.100 -0.055 0.000 1.166 301 T CB -1.137 67.735 68.868 0.006 0.000 0.863 301 T HN 0.031 nan 8.240 nan 0.000 0.415 302 T N 1.927 116.490 114.554 0.016 0.000 2.665 302 T HA -0.176 4.173 4.350 -0.002 0.000 0.268 302 T C 2.334 177.057 174.700 0.039 0.000 1.035 302 T CA 1.839 63.980 62.100 0.068 0.000 1.151 302 T CB -0.884 68.047 68.868 0.106 0.000 0.862 302 T HN 0.555 nan 8.240 nan 0.000 0.438 303 S N 0.416 116.100 115.700 -0.026 0.000 2.365 303 S HA -0.198 4.271 4.470 -0.002 0.000 0.225 303 S C 2.191 176.774 174.600 -0.028 0.000 1.039 303 S CA 2.170 60.333 58.200 -0.062 0.000 1.033 303 S CB -0.866 62.261 63.200 -0.120 0.000 0.887 303 S HN 0.591 nan 8.310 nan 0.000 0.447 304 T N 1.237 115.772 114.554 -0.032 0.000 2.708 304 T HA -0.072 4.277 4.350 -0.002 0.000 0.266 304 T C 1.967 176.743 174.700 0.127 0.000 1.037 304 T CA 1.910 64.028 62.100 0.030 0.000 1.146 304 T CB -1.033 67.852 68.868 0.028 0.000 0.865 304 T HN 0.535 nan 8.240 nan 0.000 0.435 305 T N 2.485 117.111 114.554 0.120 0.000 2.833 305 T HA 0.059 4.408 4.350 -0.002 0.000 0.269 305 T C 1.955 176.757 174.700 0.170 0.000 1.054 305 T CA 0.649 62.845 62.100 0.159 0.000 1.135 305 T CB -0.406 68.522 68.868 0.098 0.000 0.869 305 T HN 0.199 nan 8.240 nan 0.000 0.466 306 L N 0.439 121.739 121.223 0.129 0.000 1.970 306 L HA -0.135 4.204 4.340 -0.002 0.000 0.212 306 L C 3.037 179.998 176.870 0.152 0.000 1.071 306 L CA 1.613 56.526 54.840 0.120 0.000 0.751 306 L CB -0.398 41.687 42.059 0.044 0.000 0.889 306 L HN 0.188 nan 8.230 nan 0.000 0.432 307 R N -1.108 119.477 120.500 0.142 0.000 2.096 307 R HA -0.250 4.089 4.340 -0.002 0.000 0.240 307 R C 2.246 178.722 176.300 0.294 0.000 1.139 307 R CA 2.047 58.275 56.100 0.214 0.000 0.952 307 R CB -0.735 29.644 30.300 0.132 0.000 0.854 307 R HN 0.399 nan 8.270 nan 0.000 0.436 308 Y N 0.384 120.763 120.300 0.132 0.000 2.165 308 Y HA -0.255 4.294 4.550 -0.002 0.000 0.286 308 Y C 2.502 178.407 175.900 0.008 0.000 1.155 308 Y CA 0.893 59.044 58.100 0.085 0.000 1.164 308 Y CB -0.303 38.214 38.460 0.096 0.000 0.978 308 Y HN 0.220 nan 8.280 nan 0.000 0.513 309 G N 0.089 109.026 108.800 0.230 0.000 2.459 309 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.217 309 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.217 309 G C 1.559 176.493 174.900 0.056 0.000 1.183 309 G CA 1.209 46.372 45.100 0.105 0.000 0.776 309 G HN 0.372 nan 8.290 nan 0.000 0.552 310 L N -0.245 121.047 121.223 0.114 0.000 2.042 310 L HA -0.078 4.261 4.340 -0.002 0.000 0.210 310 L C 2.740 179.570 176.870 -0.067 0.000 1.076 310 L CA 0.746 55.644 54.840 0.097 0.000 0.749 310 L CB -0.430 41.766 42.059 0.229 0.000 0.893 310 L HN 0.268 nan 8.230 nan 0.000 0.432 311 L N -0.101 121.014 121.223 -0.180 0.000 2.017 311 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 311 L C 2.302 178.985 176.870 -0.312 0.000 1.073 311 L CA 1.769 56.283 54.840 -0.544 0.000 0.745 311 L CB -0.387 41.303 42.059 -0.615 0.000 0.894 311 L HN 0.097 nan 8.230 nan 0.000 0.432 312 L N -1.251 119.827 121.223 -0.242 0.000 2.141 312 L HA -0.197 4.142 4.340 -0.002 0.000 0.209 312 L C 2.426 179.121 176.870 -0.291 0.000 1.094 312 L CA 0.994 55.571 54.840 -0.438 0.000 0.763 312 L CB -0.449 40.998 42.059 -1.020 0.000 0.908 312 L HN 0.319 nan 8.230 nan 0.000 0.437 313 L N -0.991 120.133 121.223 -0.165 0.000 2.109 313 L HA -0.187 4.152 4.340 -0.002 0.000 0.207 313 L C 2.448 179.306 176.870 -0.021 0.000 1.086 313 L CA 0.794 55.624 54.840 -0.017 0.000 0.760 313 L CB -0.317 41.768 42.059 0.043 0.000 0.910 313 L HN 0.272 nan 8.230 nan 0.000 0.437 314 L N 0.283 121.446 121.223 -0.100 0.000 2.017 314 L HA -0.241 4.098 4.340 -0.002 0.000 0.208 314 L C 2.609 179.398 176.870 -0.136 0.000 1.073 314 L CA 1.515 56.280 54.840 -0.125 0.000 0.745 314 L CB -0.113 41.818 42.059 -0.214 0.000 0.894 314 L HN 0.214 nan 8.230 nan 0.000 0.432 315 K N -0.894 119.390 120.400 -0.194 0.000 2.288 315 K HA -0.088 4.231 4.320 -0.002 0.000 0.201 315 K C 0.310 176.666 176.600 -0.407 0.000 1.048 315 K CA 0.995 57.105 56.287 -0.294 0.000 0.956 315 K CB 0.029 32.318 32.500 -0.352 0.000 0.746 315 K HN 0.373 nan 8.250 nan 0.000 0.461 316 H N -0.228 118.796 119.070 -0.077 0.000 2.418 316 H HA 0.190 4.745 4.556 -0.002 0.000 0.238 316 H C -2.222 173.131 175.328 0.042 0.000 1.403 316 H CA -1.945 54.109 56.048 0.010 0.000 1.419 316 H CB 1.528 31.338 29.762 0.079 0.000 1.463 316 H HN 0.070 nan 8.280 nan 0.000 0.515 317 P HA -0.218 nan 4.420 nan 0.000 0.215 317 P C 1.838 179.198 177.300 0.100 0.000 1.153 317 P CA 1.201 64.345 63.100 0.072 0.000 0.853 317 P CB 0.428 32.147 31.700 0.031 0.000 0.788 318 E N 0.045 120.313 120.200 0.114 0.000 2.153 318 E HA -0.112 4.237 4.350 -0.002 0.000 0.194 318 E C 1.769 178.451 176.600 0.137 0.000 0.988 318 E CA 1.341 57.802 56.400 0.101 0.000 0.811 318 E CB -1.262 28.495 29.700 0.095 0.000 0.746 318 E HN 0.104 nan 8.360 nan 0.000 0.466 319 V N 1.600 121.647 119.914 0.222 0.000 2.346 319 V HA -0.162 3.957 4.120 -0.002 0.000 0.244 319 V C 2.462 178.734 176.094 0.298 0.000 1.037 319 V CA 2.025 64.521 62.300 0.326 0.000 1.029 319 V CB -0.754 31.292 31.823 0.371 0.000 0.663 319 V HN 0.318 nan 8.190 nan 0.000 0.454 320 T N 0.602 115.285 114.554 0.215 0.000 2.759 320 T HA -0.180 4.169 4.350 -0.002 0.000 0.269 320 T C 2.042 176.825 174.700 0.137 0.000 1.042 320 T CA 1.581 63.784 62.100 0.171 0.000 1.140 320 T CB -0.401 68.542 68.868 0.125 0.000 0.864 320 T HN 0.553 nan 8.240 nan 0.000 0.455 321 A N 2.137 125.019 122.820 0.104 0.000 1.851 321 A HA -0.172 4.147 4.320 -0.002 0.000 0.216 321 A C 2.249 179.852 177.584 0.032 0.000 1.195 321 A CA 1.752 53.824 52.037 0.058 0.000 0.622 321 A CB -0.515 18.506 19.000 0.035 0.000 0.831 321 A HN 0.489 nan 8.150 nan 0.000 0.444 322 K N -0.404 119.983 120.400 -0.022 0.000 2.103 322 K HA -0.101 4.217 4.320 -0.002 0.000 0.207 322 K C 1.847 178.450 176.600 0.006 0.000 1.048 322 K CA 1.446 57.632 56.287 -0.168 0.000 0.930 322 K CB -0.485 31.603 32.500 -0.686 0.000 0.716 322 K HN 0.320 nan 8.250 nan 0.000 0.444 323 V N 1.765 121.795 119.914 0.194 0.000 2.295 323 V HA -0.276 3.843 4.120 -0.002 0.000 0.246 323 V C 2.206 178.383 176.094 0.138 0.000 1.049 323 V CA 1.778 64.228 62.300 0.250 0.000 1.024 323 V CB -0.503 31.468 31.823 0.245 0.000 0.648 323 V HN 0.358 nan 8.190 nan 0.000 0.447 324 Q N -0.742 119.119 119.800 0.101 0.000 2.291 324 Q HA -0.188 4.151 4.340 -0.002 0.000 0.205 324 Q C 2.380 178.417 176.000 0.063 0.000 0.970 324 Q CA 1.150 56.995 55.803 0.069 0.000 0.876 324 Q CB -0.115 28.658 28.738 0.060 0.000 0.935 324 Q HN 0.614 nan 8.270 nan 0.000 0.455 325 E N 1.384 121.619 120.200 0.058 0.000 2.076 325 E HA -0.210 4.139 4.350 -0.002 0.000 0.190 325 E C 1.565 178.229 176.600 0.106 0.000 0.979 325 E CA 1.002 57.435 56.400 0.055 0.000 0.807 325 E CB 0.185 29.890 29.700 0.009 0.000 0.761 325 E HN 0.379 nan 8.360 nan 0.000 0.454 326 E N 0.269 120.542 120.200 0.122 0.000 2.072 326 E HA -0.126 4.223 4.350 -0.002 0.000 0.191 326 E C 2.374 179.063 176.600 0.149 0.000 0.985 326 E CA 1.081 57.590 56.400 0.182 0.000 0.801 326 E CB -0.072 29.753 29.700 0.208 0.000 0.750 326 E HN 0.287 nan 8.360 nan 0.000 0.452 327 I N 0.965 121.600 120.570 0.108 0.000 2.179 327 I HA -0.259 3.910 4.170 -0.002 0.000 0.242 327 I C 2.233 178.388 176.117 0.063 0.000 1.088 327 I CA 1.461 62.801 61.300 0.068 0.000 1.357 327 I CB -0.317 37.703 38.000 0.033 0.000 1.051 327 I HN 0.179 nan 8.210 nan 0.000 0.409 328 D N 0.142 120.586 120.400 0.075 0.000 2.117 328 D HA -0.273 4.366 4.640 -0.002 0.000 0.197 328 D C 2.150 178.520 176.300 0.116 0.000 0.987 328 D CA 1.384 55.429 54.000 0.074 0.000 0.829 328 D CB -0.039 40.801 40.800 0.066 0.000 0.961 328 D HN 0.383 nan 8.370 nan 0.000 0.460 329 H N -0.981 118.114 119.070 0.042 0.000 2.462 329 H HA 0.066 4.621 4.556 -0.002 0.000 0.292 329 H C 1.510 176.869 175.328 0.051 0.000 1.049 329 H CA 1.489 57.562 56.048 0.042 0.000 1.334 329 H CB 0.063 29.848 29.762 0.038 0.000 1.404 329 H HN 0.101 nan 8.280 nan 0.000 0.544 330 V N -0.533 119.283 119.914 -0.162 0.000 2.908 330 V HA 0.064 4.183 4.120 -0.002 0.000 0.240 330 V C 2.209 178.281 176.094 -0.037 0.000 1.117 330 V CA 0.980 63.161 62.300 -0.198 0.000 1.133 330 V CB 0.164 31.932 31.823 -0.091 0.000 0.857 330 V HN 0.306 nan 8.190 nan 0.000 0.478 331 I N -0.145 120.435 120.570 0.016 0.000 2.927 331 I HA 0.461 4.630 4.170 -0.002 0.000 0.268 331 I C 1.353 177.495 176.117 0.042 0.000 1.153 331 I CA 1.001 62.324 61.300 0.038 0.000 1.459 331 I CB -0.171 37.855 38.000 0.043 0.000 1.149 331 I HN 0.453 nan 8.210 nan 0.000 0.443 332 G N 1.706 110.530 108.800 0.041 0.000 2.725 332 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.220 332 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.220 332 G C 0.075 174.971 174.900 -0.007 0.000 1.357 332 G CA -0.289 44.843 45.100 0.053 0.000 0.866 332 G HN 0.341 nan 8.290 nan 0.000 0.548 333 R N -0.612 119.837 120.500 -0.085 0.000 2.468 333 R HA 0.327 4.666 4.340 -0.002 0.000 0.280 333 R C 0.682 176.697 176.300 -0.475 0.000 0.963 333 R CA 0.444 56.372 56.100 -0.287 0.000 1.083 333 R CB 0.390 30.472 30.300 -0.364 0.000 1.200 333 R HN 0.602 nan 8.270 nan 0.000 0.541 334 H N -0.073 119.003 119.070 0.011 0.000 2.662 334 H HA 0.327 4.882 4.556 -0.002 0.000 0.268 334 H C -0.400 174.938 175.328 0.016 0.000 1.152 334 H CA -0.288 55.767 56.048 0.012 0.000 1.072 334 H CB 0.692 30.462 29.762 0.013 0.000 1.660 334 H HN -0.118 nan 8.280 nan 0.000 0.584 335 R N 1.415 121.962 120.500 0.078 0.000 2.522 335 R HA 0.242 4.581 4.340 -0.002 0.000 0.273 335 R C -1.049 175.277 176.300 0.043 0.000 1.133 335 R CA -0.485 55.654 56.100 0.065 0.000 0.969 335 R CB 1.239 31.582 30.300 0.071 0.000 1.235 335 R HN 0.274 nan 8.270 nan 0.000 0.433 336 S N 4.732 120.461 115.700 0.047 0.000 2.560 336 S HA 0.245 4.714 4.470 -0.002 0.000 0.284 336 S C -1.936 172.690 174.600 0.042 0.000 1.327 336 S CA -0.933 57.293 58.200 0.044 0.000 1.055 336 S CB 0.600 63.841 63.200 0.067 0.000 0.868 336 S HN 0.485 nan 8.310 nan 0.000 0.506 337 P HA 0.271 nan 4.420 nan 0.000 0.271 337 P C -0.091 177.258 177.300 0.083 0.000 1.233 337 P CA -0.464 62.670 63.100 0.057 0.000 0.789 337 P CB 0.225 31.928 31.700 0.005 0.000 0.951 338 C N 0.355 119.735 119.300 0.135 0.000 3.291 338 C HA 0.452 4.911 4.460 -0.002 0.000 0.316 338 C C 1.779 176.852 174.990 0.138 0.000 1.391 338 C CA -0.847 58.233 59.018 0.104 0.000 1.394 338 C CB 0.544 28.318 27.740 0.056 0.000 1.744 338 C HN 0.412 nan 8.230 nan 0.000 0.461 339 M N 0.965 120.585 119.600 0.034 0.000 2.202 339 M HA -0.128 4.351 4.480 -0.002 0.000 0.262 339 M C 2.134 178.332 176.300 -0.169 0.000 1.063 339 M CA 1.696 56.938 55.300 -0.097 0.000 1.097 339 M CB -1.528 30.997 32.600 -0.125 0.000 1.382 339 M HN 0.998 nan 8.290 nan 0.000 0.413 340 Q N 0.285 120.034 119.800 -0.084 0.000 2.291 340 Q HA -0.188 4.151 4.340 -0.002 0.000 0.206 340 Q C 1.110 177.019 176.000 -0.153 0.000 0.976 340 Q CA 1.232 56.970 55.803 -0.108 0.000 0.875 340 Q CB 0.133 28.856 28.738 -0.024 0.000 0.927 340 Q HN 0.475 nan 8.270 nan 0.000 0.450 341 D N 0.081 120.460 120.400 -0.036 0.000 2.144 341 D HA -0.180 4.459 4.640 -0.002 0.000 0.200 341 D C 1.724 177.984 176.300 -0.067 0.000 0.978 341 D CA 0.634 54.664 54.000 0.050 0.000 0.833 341 D CB -0.328 40.599 40.800 0.213 0.000 0.961 341 D HN 0.254 nan 8.370 nan 0.000 0.470 342 R N 1.150 121.469 120.500 -0.302 0.000 2.185 342 R HA -0.156 4.183 4.340 -0.002 0.000 0.247 342 R C 2.019 178.089 176.300 -0.385 0.000 1.159 342 R CA 1.177 56.912 56.100 -0.608 0.000 0.988 342 R CB -0.262 29.238 30.300 -1.332 0.000 0.871 342 R HN 0.038 nan 8.270 nan 0.000 0.458 343 S N -0.509 114.927 115.700 -0.439 0.000 2.402 343 S HA -0.122 4.347 4.470 -0.002 0.000 0.229 343 S C 0.802 175.197 174.600 -0.342 0.000 1.021 343 S CA 0.921 58.854 58.200 -0.445 0.000 0.974 343 S CB -0.118 62.738 63.200 -0.573 0.000 0.800 343 S HN 0.636 nan 8.310 nan 0.000 0.484 344 H N -0.262 118.792 119.070 -0.025 0.000 2.507 344 H HA 0.439 4.994 4.556 -0.002 0.000 0.294 344 H C -0.374 174.988 175.328 0.057 0.000 1.064 344 H CA -0.074 55.980 56.048 0.010 0.000 1.138 344 H CB 0.087 29.840 29.762 -0.016 0.000 1.515 344 H HN 0.298 nan 8.280 nan 0.000 0.547 345 M N 1.519 121.200 119.600 0.134 0.000 2.720 345 M HA 0.164 4.642 4.480 -0.002 0.000 0.250 345 M C -2.043 174.370 176.300 0.189 0.000 1.280 345 M CA -1.424 53.996 55.300 0.201 0.000 0.579 345 M CB 1.894 34.659 32.600 0.276 0.000 1.469 345 M HN -0.010 nan 8.290 nan 0.000 0.416 346 P HA -0.234 nan 4.420 nan 0.000 0.216 346 P C 1.146 178.610 177.300 0.272 0.000 1.150 346 P CA 1.666 64.897 63.100 0.219 0.000 0.837 346 P CB 0.138 31.971 31.700 0.222 0.000 0.786 347 Y N 1.525 121.924 120.300 0.165 0.000 2.114 347 Y HA -0.164 4.385 4.550 -0.002 0.000 0.284 347 Y C 2.517 178.519 175.900 0.169 0.000 1.143 347 Y CA 2.454 60.641 58.100 0.145 0.000 1.135 347 Y CB -1.198 37.330 38.460 0.112 0.000 0.980 347 Y HN -0.095 nan 8.280 nan 0.000 0.499 348 T N -0.198 114.500 114.554 0.240 0.000 2.759 348 T HA -0.214 4.135 4.350 -0.002 0.000 0.269 348 T C 1.408 176.221 174.700 0.189 0.000 1.042 348 T CA 1.706 63.922 62.100 0.193 0.000 1.140 348 T CB -0.471 68.559 68.868 0.270 0.000 0.864 348 T HN 0.382 nan 8.240 nan 0.000 0.455 349 D N 0.984 121.507 120.400 0.205 0.000 2.097 349 D HA -0.010 4.629 4.640 -0.002 0.000 0.195 349 D C 2.251 178.731 176.300 0.299 0.000 0.989 349 D CA 1.182 55.276 54.000 0.156 0.000 0.827 349 D CB -0.328 40.372 40.800 -0.167 0.000 0.966 349 D HN 0.340 nan 8.370 nan 0.000 0.456 350 A N -0.203 122.776 122.820 0.266 0.000 1.933 350 A HA -0.124 4.195 4.320 -0.002 0.000 0.218 350 A C 2.488 180.037 177.584 -0.059 0.000 1.175 350 A CA 1.435 53.538 52.037 0.110 0.000 0.628 350 A CB -0.806 18.167 19.000 -0.046 0.000 0.814 350 A HN 0.214 nan 8.150 nan 0.000 0.444 351 V N -0.364 119.461 119.914 -0.149 0.000 2.295 351 V HA -0.230 3.889 4.120 -0.002 0.000 0.246 351 V C 2.579 178.699 176.094 0.044 0.000 1.049 351 V CA 2.076 64.306 62.300 -0.117 0.000 1.024 351 V CB -0.606 31.171 31.823 -0.076 0.000 0.648 351 V HN 0.393 nan 8.190 nan 0.000 0.447 352 V N -0.616 119.352 119.914 0.089 0.000 2.515 352 V HA -0.253 3.866 4.120 -0.002 0.000 0.250 352 V C 2.249 178.335 176.094 -0.013 0.000 1.058 352 V CA 2.052 64.404 62.300 0.086 0.000 1.064 352 V CB -0.905 30.989 31.823 0.119 0.000 0.675 352 V HN 0.615 nan 8.190 nan 0.000 0.461 353 H N -0.096 118.839 119.070 -0.226 0.000 2.363 353 H HA -0.109 4.446 4.556 -0.002 0.000 0.301 353 H C 2.315 177.417 175.328 -0.377 0.000 1.074 353 H CA 1.724 57.413 56.048 -0.597 0.000 1.354 353 H CB -0.019 28.800 29.762 -1.572 0.000 1.397 353 H HN 0.403 nan 8.280 nan 0.000 0.516 354 E N 0.715 120.837 120.200 -0.130 0.000 2.150 354 E HA -0.097 4.252 4.350 -0.002 0.000 0.193 354 E C 1.977 178.687 176.600 0.182 0.000 0.985 354 E CA 0.792 57.224 56.400 0.053 0.000 0.814 354 E CB -0.317 29.233 29.700 -0.250 0.000 0.752 354 E HN 0.472 nan 8.360 nan 0.000 0.466 355 I N 0.363 121.089 120.570 0.260 0.000 2.179 355 I HA -0.318 3.851 4.170 -0.002 0.000 0.242 355 I C 2.492 178.695 176.117 0.144 0.000 1.088 355 I CA 1.433 62.927 61.300 0.322 0.000 1.357 355 I CB -0.287 37.848 38.000 0.224 0.000 1.051 355 I HN 0.245 nan 8.210 nan 0.000 0.409 356 Q N -0.029 119.829 119.800 0.096 0.000 2.119 356 Q HA -0.220 4.119 4.340 -0.002 0.000 0.201 356 Q C 2.351 178.335 176.000 -0.028 0.000 0.972 356 Q CA 1.162 56.966 55.803 0.001 0.000 0.847 356 Q CB -0.187 28.539 28.738 -0.020 0.000 0.903 356 Q HN 0.393 nan 8.270 nan 0.000 0.433 357 R N -0.308 120.244 120.500 0.085 0.000 2.115 357 R HA -0.177 4.162 4.340 -0.002 0.000 0.230 357 R C 1.822 178.054 176.300 -0.113 0.000 1.111 357 R CA 1.168 57.248 56.100 -0.032 0.000 0.976 357 R CB -0.056 30.273 30.300 0.047 0.000 0.870 357 R HN 0.298 nan 8.270 nan 0.000 0.445 358 Y N 0.445 120.684 120.300 -0.102 0.000 2.301 358 Y HA -0.017 4.532 4.550 -0.002 0.000 0.295 358 Y C 2.334 178.129 175.900 -0.175 0.000 1.119 358 Y CA 1.490 59.543 58.100 -0.078 0.000 1.162 358 Y CB 0.105 38.618 38.460 0.088 0.000 1.046 358 Y HN 0.033 nan 8.280 nan 0.000 0.538 359 S N -0.243 115.377 115.700 -0.134 0.000 2.365 359 S HA -0.248 4.221 4.470 -0.002 0.000 0.225 359 S C 0.727 175.277 174.600 -0.085 0.000 1.039 359 S CA 1.481 59.468 58.200 -0.355 0.000 1.033 359 S CB -0.587 62.532 63.200 -0.136 0.000 0.887 359 S HN 0.640 nan 8.310 nan 0.000 0.447 360 D N -0.340 120.024 120.400 -0.059 0.000 2.689 360 D HA -0.148 4.491 4.640 -0.002 0.000 0.237 360 D C 0.500 176.816 176.300 0.027 0.000 1.148 360 D CA 0.399 54.395 54.000 -0.007 0.000 0.656 360 D CB -1.528 39.323 40.800 0.085 0.000 1.050 360 D HN 0.266 nan 8.370 nan 0.000 0.426 361 L N -0.096 121.135 121.223 0.012 0.000 2.034 361 L HA -0.197 4.142 4.340 -0.002 0.000 0.217 361 L C 1.025 177.928 176.870 0.055 0.000 1.077 361 L CA 1.894 56.766 54.840 0.052 0.000 0.769 361 L CB 0.114 42.177 42.059 0.007 0.000 0.890 361 L HN 0.235 nan 8.230 nan 0.000 0.435 362 V N -0.659 119.266 119.914 0.019 0.000 2.315 362 V HA 0.231 4.350 4.120 -0.002 0.000 0.265 362 V C -1.627 174.486 176.094 0.032 0.000 1.019 362 V CA -0.931 61.391 62.300 0.036 0.000 0.824 362 V CB 0.528 32.370 31.823 0.031 0.000 1.072 362 V HN 0.121 nan 8.190 nan 0.000 0.448 363 P HA -0.162 nan 4.420 nan 0.000 0.216 363 P C 1.685 179.032 177.300 0.077 0.000 1.153 363 P CA 1.909 65.044 63.100 0.058 0.000 0.858 363 P CB 0.142 31.873 31.700 0.052 0.000 0.789 364 T N -5.074 109.532 114.554 0.086 0.000 3.107 364 T HA 0.420 4.769 4.350 -0.002 0.000 0.249 364 T C 0.971 175.710 174.700 0.065 0.000 1.096 364 T CA 0.156 62.327 62.100 0.119 0.000 1.012 364 T CB -0.928 68.034 68.868 0.157 0.000 0.977 364 T HN 0.325 nan 8.240 nan 0.000 0.527 365 G N 0.839 109.664 108.800 0.041 0.000 2.888 365 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.441 365 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.441 365 G C -0.571 174.359 174.900 0.049 0.000 1.461 365 G CA -0.561 44.553 45.100 0.023 0.000 0.897 365 G HN 0.687 nan 8.290 nan 0.000 0.547 366 V N 3.300 123.260 119.914 0.077 0.000 2.546 366 V HA 0.449 4.568 4.120 -0.002 0.000 0.284 366 V C -1.120 175.056 176.094 0.138 0.000 1.050 366 V CA -0.691 61.666 62.300 0.095 0.000 0.981 366 V CB 1.431 33.315 31.823 0.101 0.000 0.990 366 V HN 0.787 nan 8.190 nan 0.000 0.474 367 P HA 0.075 nan 4.420 nan 0.000 0.264 367 P C -0.365 177.019 177.300 0.139 0.000 1.183 367 P CA 0.509 63.648 63.100 0.064 0.000 0.763 367 P CB 0.506 32.194 31.700 -0.019 0.000 0.807 368 H N 0.681 119.707 119.070 -0.073 0.000 2.915 368 H HA 0.762 5.317 4.556 -0.002 0.000 0.298 368 H C -0.479 174.787 175.328 -0.103 0.000 1.516 368 H CA -1.217 54.781 56.048 -0.084 0.000 1.480 368 H CB 2.172 31.912 29.762 -0.037 0.000 1.847 368 H HN 0.524 nan 8.280 nan 0.000 0.806 369 A N 0.993 123.810 122.820 -0.005 0.000 2.532 369 A HA 0.316 4.635 4.320 -0.002 0.000 0.296 369 A C -0.801 176.683 177.584 -0.166 0.000 1.058 369 A CA -0.675 51.303 52.037 -0.099 0.000 0.729 369 A CB 0.505 19.428 19.000 -0.128 0.000 1.285 369 A HN 0.436 nan 8.150 nan 0.000 0.396 370 V N 1.497 121.261 119.914 -0.249 0.000 2.637 370 V HA 0.464 4.583 4.120 -0.002 0.000 0.296 370 V C 1.338 177.295 176.094 -0.228 0.000 1.046 370 V CA 0.857 62.938 62.300 -0.365 0.000 1.066 370 V CB 0.395 31.910 31.823 -0.514 0.000 0.968 370 V HN 1.487 nan 8.190 nan 0.000 0.483 371 T N 0.932 115.366 114.554 -0.199 0.000 3.035 371 T HA 0.107 4.456 4.350 -0.002 0.000 0.268 371 T C 0.748 175.388 174.700 -0.100 0.000 1.109 371 T CA 0.959 62.981 62.100 -0.130 0.000 1.119 371 T CB -0.608 68.202 68.868 -0.096 0.000 0.900 371 T HN 1.470 nan 8.240 nan 0.000 0.503 372 T N -2.045 112.441 114.554 -0.113 0.000 2.718 372 T HA 0.407 4.756 4.350 -0.002 0.000 0.306 372 T C -1.944 172.704 174.700 -0.085 0.000 1.485 372 T CA -1.083 60.970 62.100 -0.077 0.000 0.997 372 T CB 0.868 69.707 68.868 -0.048 0.000 1.504 372 T HN -0.096 nan 8.240 nan 0.000 0.497 373 D N 1.794 122.163 120.400 -0.052 0.000 2.531 373 D HA 0.381 5.020 4.640 -0.002 0.000 0.239 373 D C -0.261 176.016 176.300 -0.038 0.000 1.144 373 D CA 0.991 54.968 54.000 -0.039 0.000 0.869 373 D CB 0.410 41.201 40.800 -0.014 0.000 1.160 373 D HN 0.585 nan 8.370 nan 0.000 0.484 374 T N 2.417 116.946 114.554 -0.042 0.000 2.848 374 T HA 0.315 4.664 4.350 -0.002 0.000 0.285 374 T C 0.045 174.800 174.700 0.092 0.000 0.995 374 T CA -0.842 61.250 62.100 -0.014 0.000 0.970 374 T CB 1.581 70.363 68.868 -0.144 0.000 0.976 374 T HN 0.070 nan 8.240 nan 0.000 0.441 375 K N 2.432 122.907 120.400 0.126 0.000 2.234 375 K HA 0.544 4.863 4.320 -0.002 0.000 0.282 375 K C -1.525 175.250 176.600 0.292 0.000 1.039 375 K CA -0.577 55.810 56.287 0.166 0.000 0.928 375 K CB 0.278 32.832 32.500 0.090 0.000 1.039 375 K HN 0.477 nan 8.250 nan 0.000 0.470 376 F N 6.046 126.117 119.950 0.202 0.000 2.659 376 F HA 0.391 4.917 4.527 -0.002 0.000 0.342 376 F C 0.145 176.105 175.800 0.267 0.000 1.168 376 F CA -0.245 57.919 58.000 0.273 0.000 1.003 376 F CB 0.565 39.815 39.000 0.417 0.000 1.267 376 F HN 0.835 nan 8.300 nan 0.000 0.463 377 R N 1.483 121.802 120.500 -0.302 0.000 3.923 377 R HA -0.315 4.024 4.340 -0.002 0.000 0.400 377 R C 0.212 176.424 176.300 -0.147 0.000 0.241 377 R CA 1.702 57.668 56.100 -0.222 0.000 1.284 377 R CB -0.982 29.220 30.300 -0.162 0.000 1.006 377 R HN 0.737 nan 8.270 nan 0.000 0.559 378 N N 1.478 119.981 118.700 -0.328 0.000 2.378 378 N HA 0.102 4.840 4.740 -0.002 0.000 0.243 378 N C -0.821 174.351 175.510 -0.563 0.000 1.137 378 N CA 0.419 53.210 53.050 -0.432 0.000 0.862 378 N CB 0.175 38.386 38.487 -0.460 0.000 1.116 378 N HN 0.301 nan 8.380 nan 0.000 0.499 379 Y N -0.320 120.041 120.300 0.102 0.000 2.536 379 Y HA 0.566 5.115 4.550 -0.002 0.000 0.347 379 Y C -0.517 175.458 175.900 0.125 0.000 1.000 379 Y CA -1.443 56.729 58.100 0.119 0.000 1.051 379 Y CB 1.605 40.160 38.460 0.158 0.000 1.259 379 Y HN -0.115 nan 8.280 nan 0.000 0.468 380 L N 3.530 124.903 121.223 0.250 0.000 2.333 380 L HA 0.647 4.986 4.340 -0.002 0.000 0.280 380 L C -1.379 175.564 176.870 0.122 0.000 1.004 380 L CA -0.707 54.226 54.840 0.155 0.000 0.820 380 L CB 0.910 43.024 42.059 0.092 0.000 1.247 380 L HN 0.546 nan 8.230 nan 0.000 0.416 381 I N 7.684 128.307 120.570 0.088 0.000 2.354 381 I HA 0.371 4.540 4.170 -0.002 0.000 0.286 381 I C -2.087 174.011 176.117 -0.032 0.000 1.007 381 I CA -1.854 59.454 61.300 0.014 0.000 1.167 381 I CB 1.567 39.564 38.000 -0.006 0.000 1.320 381 I HN 0.480 nan 8.210 nan 0.000 0.458 382 P HA -0.024 nan 4.420 nan 0.000 0.268 382 P C -0.390 176.868 177.300 -0.070 0.000 1.204 382 P CA -0.269 62.807 63.100 -0.039 0.000 0.768 382 P CB 0.783 32.469 31.700 -0.024 0.000 0.842 383 K N 2.241 122.600 120.400 -0.068 0.000 2.586 383 K HA 0.008 4.327 4.320 -0.002 0.000 0.280 383 K C 1.342 177.892 176.600 -0.084 0.000 0.972 383 K CA 1.326 57.562 56.287 -0.085 0.000 1.040 383 K CB -0.663 31.799 32.500 -0.063 0.000 0.870 383 K HN 0.792 nan 8.250 nan 0.000 0.497 384 G N 2.187 110.925 108.800 -0.103 0.000 2.267 384 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.257 384 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.257 384 G C 0.201 175.039 174.900 -0.103 0.000 0.998 384 G CA 0.497 45.540 45.100 -0.095 0.000 0.620 384 G HN 0.731 nan 8.290 nan 0.000 0.529 385 T N 2.317 116.803 114.554 -0.113 0.000 2.946 385 T HA 0.412 4.761 4.350 -0.002 0.000 0.311 385 T C 0.693 175.314 174.700 -0.131 0.000 1.063 385 T CA 1.004 63.029 62.100 -0.125 0.000 1.139 385 T CB 1.026 69.815 68.868 -0.132 0.000 0.994 385 T HN 0.274 nan 8.240 nan 0.000 0.547 386 T N 4.820 119.288 114.554 -0.143 0.000 2.832 386 T HA 0.352 4.701 4.350 -0.002 0.000 0.296 386 T C 0.315 174.939 174.700 -0.127 0.000 0.968 386 T CA -0.505 61.514 62.100 -0.135 0.000 1.107 386 T CB 0.070 68.837 68.868 -0.169 0.000 0.916 386 T HN 0.273 nan 8.240 nan 0.000 0.517 387 I N 3.288 123.834 120.570 -0.040 0.000 2.607 387 I HA 0.546 4.715 4.170 -0.002 0.000 0.305 387 I C -0.055 176.049 176.117 -0.022 0.000 0.995 387 I CA -1.151 60.174 61.300 0.042 0.000 1.148 387 I CB 1.662 39.799 38.000 0.228 0.000 1.323 387 I HN 0.639 nan 8.210 nan 0.000 0.461 388 M N 4.095 123.663 119.600 -0.052 0.000 2.122 388 M HA 0.552 5.031 4.480 -0.002 0.000 0.269 388 M C -1.129 175.126 176.300 -0.076 0.000 0.954 388 M CA -0.216 55.022 55.300 -0.104 0.000 0.998 388 M CB 1.571 34.053 32.600 -0.196 0.000 1.755 388 M HN 0.659 nan 8.290 nan 0.000 0.459 389 A N 5.586 128.336 122.820 -0.117 0.000 2.294 389 A HA 0.554 4.873 4.320 -0.002 0.000 0.316 389 A C -0.342 177.199 177.584 -0.073 0.000 1.359 389 A CA -0.555 51.405 52.037 -0.128 0.000 0.956 389 A CB -0.093 18.729 19.000 -0.297 0.000 1.155 389 A HN 0.917 nan 8.150 nan 0.000 0.544 390 L N 4.862 126.074 121.223 -0.019 0.000 2.505 390 L HA -0.023 4.316 4.340 -0.002 0.000 0.275 390 L C 1.184 178.059 176.870 0.009 0.000 1.264 390 L CA -0.206 54.659 54.840 0.041 0.000 1.148 390 L CB -0.506 41.632 42.059 0.132 0.000 1.377 390 L HN 0.818 nan 8.230 nan 0.000 0.442 391 L N 1.039 122.263 121.223 0.001 0.000 2.021 391 L HA -0.290 4.049 4.340 -0.002 0.000 0.215 391 L C 2.662 179.556 176.870 0.039 0.000 1.074 391 L CA 2.119 56.956 54.840 -0.005 0.000 0.760 391 L CB -0.748 41.297 42.059 -0.024 0.000 0.889 391 L HN 0.663 nan 8.230 nan 0.000 0.433 392 T N -0.746 113.854 114.554 0.077 0.000 2.778 392 T HA -0.202 4.147 4.350 -0.002 0.000 0.269 392 T C 2.051 176.877 174.700 0.210 0.000 1.050 392 T CA 1.831 64.033 62.100 0.171 0.000 1.137 392 T CB -0.200 68.743 68.868 0.125 0.000 0.860 392 T HN 0.607 nan 8.240 nan 0.000 0.468 393 S N -0.127 115.617 115.700 0.073 0.000 2.447 393 S HA -0.012 4.457 4.470 -0.002 0.000 0.233 393 S C 1.947 176.575 174.600 0.048 0.000 1.006 393 S CA 1.047 59.220 58.200 -0.046 0.000 0.957 393 S CB -0.473 62.417 63.200 -0.515 0.000 0.773 393 S HN 0.400 nan 8.310 nan 0.000 0.507 394 V N 2.022 121.992 119.914 0.093 0.000 2.283 394 V HA 0.058 4.177 4.120 -0.002 0.000 0.239 394 V C 2.488 178.773 176.094 0.318 0.000 1.035 394 V CA 1.340 63.754 62.300 0.191 0.000 1.018 394 V CB -0.878 31.023 31.823 0.129 0.000 0.658 394 V HN 0.433 nan 8.190 nan 0.000 0.459 395 L N -0.126 121.203 121.223 0.176 0.000 2.270 395 L HA -0.229 4.110 4.340 -0.002 0.000 0.217 395 L C 1.719 178.453 176.870 -0.227 0.000 1.107 395 L CA 1.639 56.468 54.840 -0.019 0.000 0.772 395 L CB -0.630 41.327 42.059 -0.171 0.000 0.902 395 L HN 0.529 nan 8.230 nan 0.000 0.439 396 H N -2.184 116.953 119.070 0.111 0.000 2.528 396 H HA 0.131 4.686 4.556 -0.001 0.000 0.282 396 H C 0.095 175.536 175.328 0.189 0.000 1.097 396 H CA -0.572 55.533 56.048 0.095 0.000 1.121 396 H CB 0.020 29.803 29.762 0.035 0.000 1.590 396 H HN 0.096 nan 8.280 nan 0.000 0.553 397 D N 2.212 122.833 120.400 0.369 0.000 2.502 397 D HA -0.104 4.535 4.640 -0.002 0.000 0.249 397 D C 0.678 177.069 176.300 0.152 0.000 1.188 397 D CA 0.252 54.411 54.000 0.264 0.000 0.890 397 D CB 0.743 41.730 40.800 0.312 0.000 1.140 397 D HN 0.541 nan 8.370 nan 0.000 0.505 398 D N 3.472 123.946 120.400 0.124 0.000 2.378 398 D HA -0.151 4.488 4.640 -0.002 0.000 0.222 398 D C 0.991 177.293 176.300 0.003 0.000 0.980 398 D CA 0.774 54.823 54.000 0.081 0.000 0.907 398 D CB 0.214 41.069 40.800 0.091 0.000 0.899 398 D HN 0.372 nan 8.370 nan 0.000 0.527 399 K N -0.312 120.048 120.400 -0.065 0.000 2.214 399 K HA -0.009 4.310 4.320 -0.002 0.000 0.201 399 K C 1.937 178.343 176.600 -0.324 0.000 1.049 399 K CA 0.428 56.631 56.287 -0.141 0.000 0.978 399 K CB 0.298 32.735 32.500 -0.105 0.000 0.842 399 K HN -0.089 nan 8.250 nan 0.000 0.474 400 E N 0.112 119.959 120.200 -0.589 0.000 2.208 400 E HA -0.069 4.279 4.350 -0.002 0.000 0.193 400 E C -0.565 175.372 176.600 -1.105 0.000 0.988 400 E CA 1.030 56.771 56.400 -1.099 0.000 0.828 400 E CB 0.218 28.739 29.700 -1.965 0.000 0.763 400 E HN 0.133 nan 8.360 nan 0.000 0.478 401 F N 0.458 120.220 119.950 -0.312 0.000 2.686 401 F HA 0.391 4.917 4.527 -0.002 0.000 0.365 401 F C -2.283 173.445 175.800 -0.121 0.000 1.196 401 F CA -2.728 55.085 58.000 -0.311 0.000 1.198 401 F CB 1.644 40.264 39.000 -0.633 0.000 1.454 401 F HN -0.232 nan 8.300 nan 0.000 0.539 402 P HA -0.034 nan 4.420 nan 0.000 0.264 402 P C -0.287 177.163 177.300 0.250 0.000 1.183 402 P CA 0.481 63.661 63.100 0.133 0.000 0.763 402 P CB 0.321 32.061 31.700 0.067 0.000 0.807 403 N N 1.923 120.726 118.700 0.173 0.000 2.681 403 N HA -0.124 4.615 4.740 -0.002 0.000 0.259 403 N C -1.604 174.054 175.510 0.246 0.000 1.066 403 N CA 0.242 53.406 53.050 0.190 0.000 0.717 403 N CB -1.079 37.512 38.487 0.173 0.000 0.885 403 N HN 0.442 nan 8.380 nan 0.000 0.547 404 P HA -0.081 nan 4.420 nan 0.000 0.230 404 P C 0.456 177.864 177.300 0.180 0.000 1.158 404 P CA 0.971 64.119 63.100 0.080 0.000 0.769 404 P CB 0.356 32.142 31.700 0.144 0.000 0.807 405 N N 0.103 118.949 118.700 0.242 0.000 2.236 405 N HA 0.121 4.860 4.740 -0.002 0.000 0.196 405 N C 0.889 176.663 175.510 0.440 0.000 1.114 405 N CA -0.081 53.138 53.050 0.281 0.000 0.859 405 N CB 0.756 39.352 38.487 0.182 0.000 0.982 405 N HN 0.380 nan 8.380 nan 0.000 0.493 406 I N -1.807 119.009 120.570 0.410 0.000 2.525 406 I HA 0.428 4.597 4.170 -0.002 0.000 0.301 406 I C -0.703 175.630 176.117 0.361 0.000 0.992 406 I CA -0.985 60.546 61.300 0.385 0.000 1.162 406 I CB 1.372 39.513 38.000 0.236 0.000 1.332 406 I HN -0.269 nan 8.210 nan 0.000 0.458 407 F N 6.493 126.383 119.950 -0.099 0.000 2.444 407 F HA 0.411 4.937 4.527 -0.002 0.000 0.360 407 F C -0.627 175.014 175.800 -0.265 0.000 1.106 407 F CA 0.200 57.980 58.000 -0.366 0.000 1.170 407 F CB 0.259 38.746 39.000 -0.855 0.000 1.113 407 F HN 0.579 nan 8.300 nan 0.000 0.521 408 D N 8.405 128.456 120.400 -0.582 0.000 2.613 408 D HA 0.284 4.923 4.640 -0.002 0.000 0.230 408 D C -2.344 173.632 176.300 -0.540 0.000 1.365 408 D CA -2.011 51.658 54.000 -0.552 0.000 0.976 408 D CB 2.246 42.755 40.800 -0.484 0.000 1.415 408 D HN 0.157 nan 8.370 nan 0.000 0.589 409 P HA -0.013 nan 4.420 nan 0.000 0.220 409 P C 1.375 178.546 177.300 -0.214 0.000 1.144 409 P CA 1.027 63.899 63.100 -0.380 0.000 0.800 409 P CB 0.320 31.702 31.700 -0.529 0.000 0.772 410 G N -1.199 107.455 108.800 -0.243 0.000 2.501 410 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.220 410 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.220 410 G C 1.086 175.842 174.900 -0.239 0.000 1.114 410 G CA 0.667 45.642 45.100 -0.209 0.000 0.757 410 G HN 0.387 nan 8.290 nan 0.000 0.559 411 H N -1.431 117.531 119.070 -0.180 0.000 2.518 411 H HA 0.061 4.616 4.556 -0.002 0.000 0.289 411 H C 0.572 175.521 175.328 -0.632 0.000 1.051 411 H CA 0.647 56.516 56.048 -0.298 0.000 1.280 411 H CB 0.025 29.613 29.762 -0.289 0.000 1.380 411 H HN 0.443 nan 8.280 nan 0.000 0.566 412 F N 0.054 119.905 119.950 -0.164 0.000 2.841 412 F HA 0.274 4.800 4.527 -0.002 0.000 0.358 412 F C -0.834 174.647 175.800 -0.533 0.000 1.261 412 F CA -0.389 57.330 58.000 -0.467 0.000 1.233 412 F CB 0.883 39.516 39.000 -0.612 0.000 1.008 412 F HN -0.080 nan 8.300 nan 0.000 0.507 413 L N 1.177 122.268 121.223 -0.220 0.000 2.431 413 L HA 0.405 4.744 4.340 -0.002 0.000 0.266 413 L C -0.537 176.260 176.870 -0.122 0.000 0.978 413 L CA -0.905 53.853 54.840 -0.138 0.000 0.822 413 L CB 1.528 43.556 42.059 -0.051 0.000 1.310 413 L HN 0.104 nan 8.230 nan 0.000 0.409 414 D N 1.468 121.817 120.400 -0.084 0.000 2.387 414 D HA 0.262 4.901 4.640 -0.002 0.000 0.255 414 D C 0.709 176.987 176.300 -0.037 0.000 1.081 414 D CA -0.487 53.472 54.000 -0.070 0.000 0.994 414 D CB 0.953 41.719 40.800 -0.057 0.000 1.127 414 D HN 0.260 nan 8.370 nan 0.000 0.513 415 K N 0.048 120.426 120.400 -0.037 0.000 2.163 415 K HA -0.171 4.148 4.320 -0.002 0.000 0.210 415 K C 0.986 177.582 176.600 -0.007 0.000 1.048 415 K CA 1.650 57.923 56.287 -0.023 0.000 0.928 415 K CB -0.517 31.968 32.500 -0.025 0.000 0.716 415 K HN 0.393 nan 8.250 nan 0.000 0.459 416 N N -0.290 118.410 118.700 0.001 0.000 2.313 416 N HA 0.104 4.843 4.740 -0.002 0.000 0.207 416 N C 0.551 176.081 175.510 0.033 0.000 1.141 416 N CA 0.867 53.926 53.050 0.015 0.000 0.830 416 N CB 0.936 39.434 38.487 0.017 0.000 1.008 416 N HN 0.402 nan 8.380 nan 0.000 0.481 417 G N 0.801 109.625 108.800 0.039 0.000 2.148 417 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.254 417 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.254 417 G C -0.089 174.871 174.900 0.099 0.000 0.981 417 G CA -0.286 44.859 45.100 0.076 0.000 0.670 417 G HN 0.311 nan 8.290 nan 0.000 0.528 418 N N -0.269 118.474 118.700 0.072 0.000 2.524 418 N HA 0.462 5.201 4.740 -0.002 0.000 0.283 418 N C 0.046 175.614 175.510 0.098 0.000 1.142 418 N CA -0.488 52.621 53.050 0.097 0.000 0.984 418 N CB 0.879 39.408 38.487 0.071 0.000 1.155 418 N HN 0.179 nan 8.380 nan 0.000 0.467 419 F N 1.326 121.275 119.950 -0.000 0.000 2.572 419 F HA 0.030 4.555 4.527 -0.002 0.000 0.370 419 F C 0.823 176.601 175.800 -0.037 0.000 1.103 419 F CA 0.216 58.195 58.000 -0.035 0.000 1.286 419 F CB 0.576 39.526 39.000 -0.082 0.000 1.105 419 F HN 0.286 nan 8.300 nan 0.000 0.583 420 K N 6.250 126.195 120.400 -0.758 0.000 2.527 420 K HA 0.247 4.566 4.320 -0.002 0.000 0.240 420 K C -0.895 175.376 176.600 -0.549 0.000 0.989 420 K CA -0.961 55.060 56.287 -0.444 0.000 0.985 420 K CB 0.503 32.815 32.500 -0.313 0.000 1.221 420 K HN 0.582 nan 8.250 nan 0.000 0.458 421 K N 1.149 121.442 120.400 -0.179 0.000 2.380 421 K HA 0.134 4.453 4.320 -0.002 0.000 0.267 421 K C -0.280 176.356 176.600 0.059 0.000 0.990 421 K CA -0.330 56.011 56.287 0.090 0.000 0.946 421 K CB 1.280 33.955 32.500 0.291 0.000 0.937 421 K HN 0.219 nan 8.250 nan 0.000 0.491 422 S N -0.012 115.819 115.700 0.219 0.000 2.548 422 S HA 0.273 4.742 4.470 -0.002 0.000 0.286 422 S C -0.317 174.476 174.600 0.321 0.000 1.098 422 S CA -0.844 57.470 58.200 0.190 0.000 0.930 422 S CB 1.220 64.535 63.200 0.192 0.000 1.070 422 S HN 0.598 nan 8.310 nan 0.000 0.480 423 D N 1.730 122.270 120.400 0.234 0.000 2.234 423 D HA 0.026 4.665 4.640 -0.002 0.000 0.205 423 D C 0.457 176.929 176.300 0.287 0.000 0.962 423 D CA 1.106 55.252 54.000 0.245 0.000 0.855 423 D CB -0.029 40.853 40.800 0.136 0.000 0.951 423 D HN 0.634 nan 8.370 nan 0.000 0.500 424 Y N -0.482 119.820 120.300 0.003 0.000 2.477 424 Y HA 0.079 4.628 4.550 -0.002 0.000 0.303 424 Y C 0.396 176.557 175.900 0.435 0.000 1.202 424 Y CA -0.465 57.708 58.100 0.123 0.000 1.282 424 Y CB -0.796 37.629 38.460 -0.058 0.000 1.071 424 Y HN -0.160 nan 8.280 nan 0.000 0.510 425 F N 1.330 121.562 119.950 0.471 0.000 2.451 425 F HA 0.319 4.845 4.527 -0.002 0.000 0.356 425 F C 0.370 176.344 175.800 0.290 0.000 1.178 425 F CA -0.590 57.674 58.000 0.441 0.000 1.210 425 F CB -0.103 39.218 39.000 0.535 0.000 1.504 425 F HN -0.046 nan 8.300 nan 0.000 0.598 426 M N 6.915 126.456 119.600 -0.097 0.000 2.778 426 M HA 0.167 4.646 4.480 -0.002 0.000 0.359 426 M C -1.458 174.689 176.300 -0.255 0.000 1.216 426 M CA -0.983 54.252 55.300 -0.109 0.000 0.935 426 M CB 0.180 32.787 32.600 0.012 0.000 1.330 426 M HN 0.207 nan 8.290 nan 0.000 0.516 427 P HA -0.102 nan 4.420 nan 0.000 0.225 427 P C 0.541 177.557 177.300 -0.474 0.000 1.148 427 P CA 1.309 64.069 63.100 -0.566 0.000 0.779 427 P CB -0.033 31.152 31.700 -0.858 0.000 0.780 428 F N -0.561 119.290 119.950 -0.165 0.000 2.641 428 F HA 0.294 4.820 4.527 -0.001 0.000 0.302 428 F C 1.567 177.355 175.800 -0.020 0.000 1.098 428 F CA 0.099 58.063 58.000 -0.060 0.000 1.318 428 F CB -0.333 38.649 39.000 -0.030 0.000 1.035 428 F HN -0.051 nan 8.300 nan 0.000 0.551 429 S N 0.065 115.818 115.700 0.088 0.000 3.701 429 S HA 0.128 4.597 4.470 -0.002 0.000 0.633 429 S C -0.388 174.257 174.600 0.074 0.000 2.263 429 S CA -0.027 58.206 58.200 0.055 0.000 2.658 429 S CB -1.121 62.131 63.200 0.086 0.000 0.323 429 S HN 1.167 nan 8.310 nan 0.000 1.605 430 A N -0.228 122.624 122.820 0.053 0.000 2.564 430 A HA 0.882 5.201 4.320 -0.002 0.000 0.291 430 A C 0.906 178.525 177.584 0.058 0.000 1.102 430 A CA 0.878 52.949 52.037 0.055 0.000 0.660 430 A CB 0.220 19.229 19.000 0.015 0.000 1.283 430 A HN 2.997 nan 8.150 nan 0.000 0.430 431 G N 0.019 108.855 108.800 0.060 0.000 2.645 431 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.239 431 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.239 431 G C 0.513 175.494 174.900 0.135 0.000 1.331 431 G CA 0.760 45.906 45.100 0.075 0.000 0.890 431 G HN 1.297 nan 8.290 nan 0.000 0.572 432 K N -0.324 120.180 120.400 0.173 0.000 2.218 432 K HA -0.064 4.255 4.320 -0.002 0.000 0.205 432 K C 2.340 179.156 176.600 0.360 0.000 1.046 432 K CA 2.026 58.471 56.287 0.262 0.000 0.933 432 K CB -0.085 32.609 32.500 0.322 0.000 0.728 432 K HN 0.402 nan 8.250 nan 0.000 0.454 433 R N -0.060 120.618 120.500 0.298 0.000 2.509 433 R HA 0.297 4.636 4.340 -0.002 0.000 0.300 433 R C -0.165 176.277 176.300 0.238 0.000 0.985 433 R CA -0.213 56.069 56.100 0.304 0.000 1.092 433 R CB 0.138 30.494 30.300 0.094 0.000 1.237 433 R HN 0.124 nan 8.270 nan 0.000 0.546 434 I N 0.682 121.369 120.570 0.195 0.000 2.948 434 I HA -0.209 3.960 4.170 -0.002 0.000 0.303 434 I C 0.378 176.577 176.117 0.135 0.000 1.224 434 I CA 0.140 61.534 61.300 0.156 0.000 1.442 434 I CB 0.378 38.450 38.000 0.120 0.000 1.328 434 I HN 0.284 nan 8.210 nan 0.000 0.578 435 C N 7.200 126.587 119.300 0.145 0.000 2.067 435 C HA -0.056 4.403 4.460 -0.002 0.000 0.397 435 C C 1.710 176.711 174.990 0.018 0.000 1.545 435 C CA 0.265 59.347 59.018 0.106 0.000 1.460 435 C CB -1.054 26.783 27.740 0.162 0.000 2.591 435 C HN 0.916 nan 8.230 nan 0.000 0.585 436 A N 4.224 127.067 122.820 0.037 0.000 2.235 436 A HA 0.285 4.604 4.320 -0.002 0.000 0.208 436 A C 1.640 179.197 177.584 -0.045 0.000 1.172 436 A CA 1.110 53.153 52.037 0.010 0.000 0.786 436 A CB -0.226 18.802 19.000 0.046 0.000 0.804 436 A HN 1.459 nan 8.150 nan 0.000 0.479 437 G N -1.009 107.746 108.800 -0.074 0.000 4.238 437 G HA2 0.263 4.222 3.960 -0.002 0.000 0.292 437 G HA3 0.263 4.222 3.960 -0.002 0.000 0.292 437 G C 0.652 175.423 174.900 -0.216 0.000 1.036 437 G CA 0.612 45.645 45.100 -0.111 0.000 0.812 437 G HN 0.493 nan 8.290 nan 0.000 0.489 438 E N 0.470 120.439 120.200 -0.385 0.000 2.070 438 E HA -0.134 4.215 4.350 -0.002 0.000 0.197 438 E C 2.456 178.739 176.600 -0.529 0.000 1.004 438 E CA 1.690 57.567 56.400 -0.871 0.000 0.805 438 E CB -0.338 28.829 29.700 -0.889 0.000 0.744 438 E HN 0.287 nan 8.360 nan 0.000 0.451 439 G N 1.205 109.824 108.800 -0.302 0.000 2.446 439 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.217 439 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.217 439 G C 1.511 176.320 174.900 -0.152 0.000 1.168 439 G CA 0.982 45.964 45.100 -0.196 0.000 0.771 439 G HN 0.327 nan 8.290 nan 0.000 0.551 440 L N 1.310 122.451 121.223 -0.136 0.000 2.056 440 L HA 0.210 4.549 4.340 -0.002 0.000 0.207 440 L C 3.111 179.950 176.870 -0.053 0.000 1.078 440 L CA 2.066 56.846 54.840 -0.099 0.000 0.749 440 L CB -0.826 41.177 42.059 -0.093 0.000 0.901 440 L HN 0.253 nan 8.230 nan 0.000 0.433 441 A N -0.027 122.775 122.820 -0.029 0.000 1.859 441 A HA -0.266 4.053 4.320 -0.002 0.000 0.217 441 A C 2.383 180.047 177.584 0.134 0.000 1.198 441 A CA 2.163 54.266 52.037 0.110 0.000 0.629 441 A CB -0.695 18.478 19.000 0.288 0.000 0.830 441 A HN 0.510 nan 8.150 nan 0.000 0.446 442 R N -1.307 119.247 120.500 0.089 0.000 2.127 442 R HA -0.143 4.196 4.340 -0.002 0.000 0.238 442 R C 2.312 178.639 176.300 0.046 0.000 1.134 442 R CA 1.562 57.717 56.100 0.092 0.000 0.975 442 R CB -0.522 29.783 30.300 0.009 0.000 0.865 442 R HN 0.738 nan 8.270 nan 0.000 0.447 443 M N 1.079 120.667 119.600 -0.019 0.000 2.099 443 M HA -0.156 4.323 4.480 -0.002 0.000 0.262 443 M C 1.727 177.987 176.300 -0.067 0.000 1.067 443 M CA 1.742 57.016 55.300 -0.044 0.000 1.124 443 M CB 0.018 32.557 32.600 -0.102 0.000 1.353 443 M HN 0.069 nan 8.290 nan 0.000 0.410 444 E N 0.373 120.510 120.200 -0.106 0.000 2.085 444 E HA -0.217 4.132 4.350 -0.002 0.000 0.194 444 E C 2.026 178.607 176.600 -0.033 0.000 0.994 444 E CA 1.547 57.791 56.400 -0.260 0.000 0.801 444 E CB -0.310 29.395 29.700 0.007 0.000 0.743 444 E HN 0.561 nan 8.360 nan 0.000 0.453 445 L N -0.144 121.161 121.223 0.136 0.000 2.056 445 L HA -0.152 4.187 4.340 -0.002 0.000 0.207 445 L C 2.403 179.376 176.870 0.171 0.000 1.078 445 L CA 0.943 55.903 54.840 0.200 0.000 0.749 445 L CB -0.327 41.842 42.059 0.183 0.000 0.901 445 L HN 0.117 nan 8.230 nan 0.000 0.433 446 F N 0.384 120.337 119.950 0.006 0.000 2.128 446 F HA -0.133 4.393 4.527 -0.002 0.000 0.295 446 F C 2.202 177.997 175.800 -0.009 0.000 1.100 446 F CA 1.312 59.311 58.000 -0.002 0.000 1.260 446 F CB 0.031 39.008 39.000 -0.039 0.000 1.009 446 F HN -0.160 nan 8.300 nan 0.000 0.476 447 L N -1.012 120.225 121.223 0.022 0.000 2.027 447 L HA -0.199 4.140 4.340 -0.002 0.000 0.206 447 L C 2.425 179.249 176.870 -0.076 0.000 1.074 447 L CA 1.012 55.792 54.840 -0.099 0.000 0.745 447 L CB -0.909 41.057 42.059 -0.155 0.000 0.898 447 L HN 0.100 nan 8.230 nan 0.000 0.433 448 F N 0.353 120.304 119.950 0.001 0.000 2.075 448 F HA -0.200 4.326 4.527 -0.002 0.000 0.297 448 F C 2.407 178.196 175.800 -0.019 0.000 1.113 448 F CA 1.171 59.172 58.000 0.002 0.000 1.218 448 F CB -0.987 38.028 39.000 0.024 0.000 0.984 448 F HN -0.095 nan 8.300 nan 0.000 0.472 449 L N -0.371 120.957 121.223 0.176 0.000 1.989 449 L HA -0.261 4.078 4.340 -0.002 0.000 0.211 449 L C 2.657 179.528 176.870 0.001 0.000 1.071 449 L CA 2.151 57.042 54.840 0.085 0.000 0.749 449 L CB -1.422 40.674 42.059 0.062 0.000 0.890 449 L HN 0.319 nan 8.230 nan 0.000 0.431 450 T N -4.266 110.194 114.554 -0.155 0.000 2.708 450 T HA -0.193 4.155 4.350 -0.002 0.000 0.266 450 T C 1.804 176.458 174.700 -0.077 0.000 1.037 450 T CA 1.805 63.787 62.100 -0.196 0.000 1.146 450 T CB -0.945 67.639 68.868 -0.473 0.000 0.865 450 T HN 0.211 nan 8.240 nan 0.000 0.435 451 T N 2.048 116.574 114.554 -0.047 0.000 2.778 451 T HA 0.018 4.367 4.350 -0.002 0.000 0.269 451 T C 1.875 176.595 174.700 0.033 0.000 1.050 451 T CA 1.386 63.490 62.100 0.006 0.000 1.137 451 T CB -0.483 68.420 68.868 0.058 0.000 0.860 451 T HN 0.418 nan 8.240 nan 0.000 0.468 452 I N 0.441 121.061 120.570 0.084 0.000 2.206 452 I HA -0.048 4.121 4.170 -0.002 0.000 0.239 452 I C 2.176 178.399 176.117 0.176 0.000 1.078 452 I CA 1.062 62.460 61.300 0.164 0.000 1.367 452 I CB -0.335 37.762 38.000 0.161 0.000 1.078 452 I HN 0.162 nan 8.210 nan 0.000 0.413 453 L N 0.563 121.864 121.223 0.130 0.000 2.349 453 L HA -0.239 4.100 4.340 -0.002 0.000 0.220 453 L C 2.521 179.422 176.870 0.051 0.000 1.130 453 L CA 1.128 56.039 54.840 0.118 0.000 0.791 453 L CB -0.615 41.499 42.059 0.093 0.000 0.918 453 L HN 0.470 nan 8.230 nan 0.000 0.444 454 Q N 0.141 119.941 119.800 0.001 0.000 2.311 454 Q HA -0.102 4.237 4.340 -0.002 0.000 0.203 454 Q C 1.455 177.381 176.000 -0.124 0.000 0.954 454 Q CA 0.901 56.675 55.803 -0.048 0.000 0.885 454 Q CB 0.298 29.004 28.738 -0.053 0.000 0.963 454 Q HN 0.608 nan 8.270 nan 0.000 0.471 455 N N -1.326 117.254 118.700 -0.200 0.000 2.273 455 N HA 0.129 4.868 4.740 -0.002 0.000 0.192 455 N C -0.776 174.295 175.510 -0.732 0.000 1.132 455 N CA 0.136 52.883 53.050 -0.505 0.000 0.887 455 N CB 0.797 38.850 38.487 -0.723 0.000 1.048 455 N HN -0.011 nan 8.380 nan 0.000 0.490 456 F N 0.261 120.216 119.950 0.009 0.000 2.629 456 F HA 0.423 4.949 4.527 -0.001 0.000 0.316 456 F C -0.110 175.736 175.800 0.077 0.000 1.081 456 F CA -1.028 57.009 58.000 0.061 0.000 0.954 456 F CB 1.148 40.254 39.000 0.177 0.000 1.337 456 F HN -0.293 nan 8.300 nan 0.000 0.474 457 N N 1.124 120.005 118.700 0.302 0.000 2.319 457 N HA 0.567 5.306 4.740 -0.002 0.000 0.305 457 N C -1.473 174.127 175.510 0.151 0.000 1.103 457 N CA -0.530 52.623 53.050 0.172 0.000 0.815 457 N CB 2.223 40.770 38.487 0.100 0.000 1.288 457 N HN 0.449 nan 8.380 nan 0.000 0.493 458 L N 1.452 122.723 121.223 0.080 0.000 2.257 458 L HA 0.436 4.775 4.340 -0.002 0.000 0.290 458 L C 0.515 177.354 176.870 -0.051 0.000 1.044 458 L CA -0.443 54.382 54.840 -0.024 0.000 0.810 458 L CB 0.847 42.891 42.059 -0.025 0.000 1.193 458 L HN 0.270 nan 8.230 nan 0.000 0.425 459 K N 2.386 122.730 120.400 -0.094 0.000 2.221 459 K HA 0.448 4.767 4.320 -0.002 0.000 0.258 459 K C -0.554 175.990 176.600 -0.095 0.000 0.944 459 K CA -0.397 55.849 56.287 -0.069 0.000 0.823 459 K CB 2.046 34.520 32.500 -0.042 0.000 1.113 459 K HN 0.529 nan 8.250 nan 0.000 0.431 460 S N 2.371 118.029 115.700 -0.070 0.000 2.616 460 S HA 0.162 4.631 4.470 -0.002 0.000 0.277 460 S C 1.100 175.673 174.600 -0.044 0.000 1.234 460 S CA -0.809 57.354 58.200 -0.063 0.000 1.028 460 S CB 1.385 64.547 63.200 -0.063 0.000 0.988 460 S HN 0.457 nan 8.310 nan 0.000 0.522 461 V N 2.610 122.504 119.914 -0.033 0.000 2.323 461 V HA 0.017 4.136 4.120 -0.002 0.000 0.244 461 V C 1.188 177.270 176.094 -0.019 0.000 1.041 461 V CA 1.835 64.120 62.300 -0.025 0.000 1.025 461 V CB -0.580 31.232 31.823 -0.018 0.000 0.656 461 V HN 0.869 nan 8.190 nan 0.000 0.451 462 D N -1.172 119.217 120.400 -0.019 0.000 2.588 462 D HA 0.153 4.792 4.640 -0.002 0.000 0.268 462 D C -0.408 175.878 176.300 -0.023 0.000 1.176 462 D CA -0.717 53.272 54.000 -0.017 0.000 1.080 462 D CB 0.802 41.594 40.800 -0.013 0.000 1.186 462 D HN 0.101 nan 8.370 nan 0.000 0.619 463 D N 0.462 120.849 120.400 -0.021 0.000 2.424 463 D HA -0.018 4.621 4.640 -0.002 0.000 0.244 463 D C 1.507 177.785 176.300 -0.036 0.000 1.134 463 D CA 0.048 54.033 54.000 -0.025 0.000 0.881 463 D CB 0.881 41.669 40.800 -0.019 0.000 1.191 463 D HN 0.352 nan 8.370 nan 0.000 0.445 464 L N 3.365 124.560 121.223 -0.046 0.000 2.081 464 L HA -0.234 4.105 4.340 -0.002 0.000 0.212 464 L C 2.346 179.175 176.870 -0.068 0.000 1.080 464 L CA 1.202 56.001 54.840 -0.069 0.000 0.754 464 L CB -0.482 41.527 42.059 -0.082 0.000 0.893 464 L HN 0.399 nan 8.230 nan 0.000 0.433 465 K N 0.695 121.065 120.400 -0.049 0.000 2.152 465 K HA -0.182 4.137 4.320 -0.002 0.000 0.206 465 K C 1.640 178.222 176.600 -0.031 0.000 1.048 465 K CA 1.460 57.723 56.287 -0.039 0.000 0.933 465 K CB -0.267 32.218 32.500 -0.024 0.000 0.721 465 K HN 0.238 nan 8.250 nan 0.000 0.447 466 N N 0.296 118.979 118.700 -0.028 0.000 2.512 466 N HA -0.076 4.663 4.740 -0.002 0.000 0.183 466 N C -0.305 175.192 175.510 -0.021 0.000 1.073 466 N CA 0.169 53.208 53.050 -0.018 0.000 0.911 466 N CB -0.160 38.318 38.487 -0.014 0.000 0.964 466 N HN 0.132 nan 8.380 nan 0.000 0.447 467 L N 2.081 123.280 121.223 -0.040 0.000 2.369 467 L HA 0.127 4.466 4.340 -0.002 0.000 0.279 467 L C 0.070 176.917 176.870 -0.039 0.000 1.108 467 L CA -0.204 54.606 54.840 -0.051 0.000 0.852 467 L CB -0.105 41.897 42.059 -0.095 0.000 1.169 467 L HN -0.027 nan 8.230 nan 0.000 0.452 468 N N 1.756 120.449 118.700 -0.012 0.000 2.479 468 N HA 0.312 5.051 4.740 -0.002 0.000 0.285 468 N C 0.456 175.988 175.510 0.035 0.000 1.075 468 N CA 0.367 53.428 53.050 0.019 0.000 0.967 468 N CB 1.197 39.702 38.487 0.030 0.000 1.137 468 N HN 0.642 nan 8.380 nan 0.000 0.472 469 T N -1.501 113.113 114.554 0.100 0.000 3.145 469 T HA 0.195 4.544 4.350 -0.002 0.000 0.281 469 T C -0.061 174.839 174.700 0.333 0.000 1.003 469 T CA -0.368 61.855 62.100 0.206 0.000 0.901 469 T CB -0.611 68.387 68.868 0.216 0.000 1.112 469 T HN 0.339 nan 8.240 nan 0.000 0.535 470 T N 3.452 118.131 114.554 0.208 0.000 2.870 470 T HA 0.596 4.945 4.350 -0.002 0.000 0.300 470 T C 0.643 175.439 174.700 0.160 0.000 0.989 470 T CA -0.194 62.015 62.100 0.181 0.000 1.139 470 T CB 0.716 69.645 68.868 0.103 0.000 0.920 470 T HN 0.624 nan 8.240 nan 0.000 0.537 471 A N 2.806 125.743 122.820 0.195 0.000 2.407 471 A HA 0.481 4.800 4.320 -0.002 0.000 0.248 471 A C 0.643 178.266 177.584 0.065 0.000 1.082 471 A CA -0.708 51.423 52.037 0.157 0.000 0.785 471 A CB 0.193 19.343 19.000 0.250 0.000 1.020 471 A HN 0.968 nan 8.150 nan 0.000 0.489 472 V N 1.442 121.375 119.914 0.033 0.000 2.284 472 V HA 0.478 4.597 4.120 -0.002 0.000 0.260 472 V C 0.457 176.565 176.094 0.024 0.000 1.084 472 V CA 0.316 62.626 62.300 0.017 0.000 0.894 472 V CB -0.180 31.646 31.823 0.004 0.000 1.119 472 V HN 0.960 nan 8.190 nan 0.000 0.484 473 T N 1.757 116.321 114.554 0.018 0.000 3.843 473 T HA 0.376 4.725 4.350 -0.002 0.000 0.227 473 T C 0.056 174.751 174.700 -0.008 0.000 1.043 473 T CA -0.283 61.826 62.100 0.015 0.000 1.012 473 T CB -0.709 68.161 68.868 0.003 0.000 1.279 473 T HN 0.741 nan 8.240 nan 0.000 0.730 474 K N 1.468 121.863 120.400 -0.009 0.000 2.213 474 K HA 0.607 4.926 4.320 -0.002 0.000 0.270 474 K C 0.816 177.399 176.600 -0.029 0.000 1.002 474 K CA 0.011 56.281 56.287 -0.030 0.000 0.868 474 K CB 1.245 33.725 32.500 -0.033 0.000 1.093 474 K HN 0.699 nan 8.250 nan 0.000 0.454 475 G N 2.095 110.873 108.800 -0.037 0.000 2.796 475 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.571 475 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.571 475 G C 0.521 175.418 174.900 -0.005 0.000 1.370 475 G CA -0.266 44.814 45.100 -0.033 0.000 0.856 475 G HN 0.711 nan 8.290 nan 0.000 0.538 476 I N -0.824 119.748 120.570 0.003 0.000 2.335 476 I HA 0.007 4.176 4.170 -0.002 0.000 0.251 476 I C 0.804 176.960 176.117 0.065 0.000 1.129 476 I CA 1.450 62.770 61.300 0.034 0.000 1.402 476 I CB -0.174 37.847 38.000 0.035 0.000 1.069 476 I HN 0.354 nan 8.210 nan 0.000 0.424 477 V N 1.590 121.556 119.914 0.086 0.000 2.409 477 V HA 0.270 4.389 4.120 -0.002 0.000 0.291 477 V C 0.143 176.322 176.094 0.142 0.000 1.020 477 V CA -0.650 61.741 62.300 0.153 0.000 0.848 477 V CB 1.370 33.379 31.823 0.310 0.000 0.990 477 V HN 0.122 nan 8.190 nan 0.000 0.430 478 S N 5.791 121.568 115.700 0.128 0.000 2.576 478 S HA 0.627 5.096 4.470 -0.002 0.000 0.276 478 S C -0.282 174.412 174.600 0.156 0.000 1.339 478 S CA -0.295 57.982 58.200 0.129 0.000 1.039 478 S CB 0.502 63.789 63.200 0.144 0.000 0.902 478 S HN 0.489 nan 8.310 nan 0.000 0.516 479 L N 3.602 124.885 121.223 0.101 0.000 2.370 479 L HA 0.552 4.891 4.340 -0.002 0.000 0.266 479 L C -2.309 174.457 176.870 -0.173 0.000 1.002 479 L CA -2.483 52.371 54.840 0.024 0.000 0.818 479 L CB 2.205 44.293 42.059 0.049 0.000 1.325 479 L HN 0.392 nan 8.230 nan 0.000 0.418 480 P HA 0.223 nan 4.420 nan 0.000 0.276 480 P C -2.697 174.422 177.300 -0.301 0.000 1.244 480 P CA -1.480 61.057 63.100 -0.939 0.000 0.801 480 P CB 0.169 31.146 31.700 -1.204 0.000 1.006 481 P HA -0.003 nan 4.420 nan 0.000 0.271 481 P C 0.328 177.657 177.300 0.048 0.000 1.233 481 P CA 0.066 63.150 63.100 -0.027 0.000 0.789 481 P CB 0.360 32.065 31.700 0.009 0.000 0.951 482 S N 0.567 116.289 115.700 0.037 0.000 2.593 482 S HA 0.461 4.930 4.470 -0.002 0.000 0.269 482 S C -0.752 173.925 174.600 0.128 0.000 1.334 482 S CA -0.082 58.128 58.200 0.018 0.000 1.015 482 S CB -0.579 62.607 63.200 -0.023 0.000 0.912 482 S HN 0.523 nan 8.310 nan 0.000 0.541 483 Y N -0.227 120.040 120.300 -0.055 0.000 2.732 483 Y HA 0.522 5.071 4.550 -0.002 0.000 0.342 483 Y C -1.409 174.453 175.900 -0.063 0.000 1.203 483 Y CA -1.178 56.887 58.100 -0.059 0.000 1.092 483 Y CB 0.481 38.901 38.460 -0.066 0.000 1.345 483 Y HN 0.512 nan 8.280 nan 0.000 0.458 484 Q N 2.324 122.184 119.800 0.100 0.000 2.348 484 Q HA 0.762 5.101 4.340 -0.002 0.000 0.271 484 Q C -1.544 174.495 176.000 0.065 0.000 1.067 484 Q CA -1.175 54.617 55.803 -0.018 0.000 0.839 484 Q CB 3.489 32.208 28.738 -0.031 0.000 1.354 484 Q HN 0.804 nan 8.270 nan 0.000 0.447 485 I N 0.008 120.532 120.570 -0.077 0.000 2.913 485 I HA 0.382 4.551 4.170 -0.002 0.000 0.302 485 I C -1.553 174.357 176.117 -0.345 0.000 1.246 485 I CA -0.711 60.471 61.300 -0.196 0.000 1.010 485 I CB 1.992 39.848 38.000 -0.240 0.000 1.259 485 I HN 0.679 nan 8.210 nan 0.000 0.434 486 C N 5.617 124.705 119.300 -0.353 0.000 2.298 486 C HA 0.486 4.945 4.460 -0.002 0.000 0.323 486 C C -0.426 174.346 174.990 -0.364 0.000 1.284 486 C CA -0.507 58.349 59.018 -0.270 0.000 1.577 486 C CB 0.011 27.683 27.740 -0.114 0.000 2.249 486 C HN 0.448 nan 8.230 nan 0.000 0.497 487 F N 3.920 123.785 119.950 -0.142 0.000 2.368 487 F HA 0.387 4.913 4.527 -0.002 0.000 0.362 487 F C 0.346 176.121 175.800 -0.041 0.000 1.137 487 F CA -0.377 57.475 58.000 -0.247 0.000 1.161 487 F CB 0.245 38.778 39.000 -0.779 0.000 1.265 487 F HN 0.364 nan 8.300 nan 0.000 0.530 488 I N 6.791 127.506 120.570 0.242 0.000 2.301 488 I HA 0.206 4.375 4.170 -0.002 0.000 0.292 488 I C -1.955 174.363 176.117 0.336 0.000 1.046 488 I CA -2.810 58.634 61.300 0.240 0.000 1.282 488 I CB 0.223 38.295 38.000 0.120 0.000 1.409 488 I HN 0.255 nan 8.210 nan 0.000 0.484 489 P HA 0.016 nan 4.420 nan 0.000 0.265 489 P C -0.279 176.862 177.300 -0.266 0.000 1.193 489 P CA -0.070 63.030 63.100 -0.000 0.000 0.765 489 P CB 0.574 32.248 31.700 -0.042 0.000 0.823 490 V N 1.896 121.623 119.914 -0.312 0.000 2.834 490 V HA 0.422 4.541 4.120 -0.002 0.000 0.301 490 V C 0.226 176.062 176.094 -0.430 0.000 1.066 490 V CA -0.087 62.039 62.300 -0.289 0.000 1.052 490 V CB 0.459 32.194 31.823 -0.146 0.000 1.021 490 V HN 0.543 nan 8.190 nan 0.000 0.480 491 H N 0.000 119.064 119.070 -0.011 0.000 2.539 491 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 491 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 491 H CB 0.000 29.764 29.762 0.004 0.000 1.292 491 H HN 0.000 nan 8.280 nan 0.000 0.496