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 2z81_1_A DATA FIRST_RESID 27 DATA SEQUENCE SLScDASGVc DGRSRSFTSI PSGLTAAMKS LDLSFNKITY IGHGDLRACA DATA SEQUENCE NLQVLILKSS RINTIEGDAF YSLGSLEHLD LSDNHLSSLS SSWFGPLSSL DATA SEQUENCE KYLNLMGNPY QTLGVTSLFP NLTNLQTLRI GNVETFSEIR RIDFAGLTSL DATA SEQUENCE NELEIKALSL RNYQSQSLKS IRDIHHLTLH LSESAFLLEI FADILSSVRY DATA SEQUENCE LELRDTNLAR FQFSPLPVDE VSSPMKKLAF RGSVLTDESF NELLKLLRYI DATA SEQUENCE LELSEVEFDD CTLNGLGDFN PSESDVVSEL GKVETVTIRR LHIPQFYLFY DATA SEQUENCE DLSTVYSLLE KVKRITVENS KVFLVPcSFS QHLKSLEFLD LSENLMVEEY DATA SEQUENCE LKNSAcKGAW PSLQTLVLSQ NHLRSMQKTG EILLTLKNLT SLDISRNTFH DATA SEQUENCE PMPDScQWPE KMRFLNLSST GIRVVKTcIP QTLEVLDVSN NNLDSFSLFL DATA SEQUENCE PRLQELYISR NKLKTLPDAS LFPVLLVMKI SRNQLKSVPD GIFDRLTSLQ DATA SEQUENCE KIWLHTNPWD cScPRIDYLS RWLNKNSQKE QGSAKcSGSG KPVRSIIcP 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.701 174.600 0.168 0.000 1.055 27 S CA 0.000 58.303 58.200 0.172 0.000 1.107 27 S CB 0.000 63.266 63.200 0.110 0.000 0.593 28 L N 3.263 124.624 121.223 0.231 0.000 2.452 28 L HA 0.871 5.222 4.340 0.017 0.000 0.267 28 L C 0.002 176.925 176.870 0.088 0.000 1.188 28 L CA -0.095 54.847 54.840 0.171 0.000 0.821 28 L CB 0.440 42.604 42.059 0.174 0.000 1.102 28 L HN 0.241 nan 8.230 nan 0.000 0.470 29 S N 0.502 116.240 115.700 0.064 0.000 2.532 29 S HA 0.803 5.283 4.470 0.017 0.000 0.299 29 S C -0.535 174.081 174.600 0.027 0.000 1.105 29 S CA -0.780 57.443 58.200 0.037 0.000 1.018 29 S CB 0.894 64.110 63.200 0.026 0.000 1.021 29 S HN 0.844 nan 8.310 nan 0.000 0.483 30 c N 2.937 121.548 118.600 0.019 0.000 2.454 30 c HA 0.793 5.374 4.570 0.017 0.000 0.336 30 c C 0.402 174.494 174.090 0.004 0.000 1.189 30 c CA -0.690 55.645 56.329 0.010 0.000 1.877 30 c CB 0.929 43.444 42.510 0.008 0.000 2.348 30 c HN 1.050 nan 8.230 nan 0.000 0.508 31 D N 1.054 121.453 120.400 -0.001 0.000 2.511 31 D HA 0.452 5.102 4.640 0.017 0.000 0.276 31 D C 0.873 177.170 176.300 -0.006 0.000 1.220 31 D CA -0.417 53.581 54.000 -0.005 0.000 1.077 31 D CB 0.324 41.118 40.800 -0.009 0.000 1.126 31 D HN 0.508 nan 8.370 nan 0.000 0.583 32 A N -0.854 121.961 122.820 -0.008 0.000 2.168 32 A HA 0.004 4.334 4.320 0.017 0.000 0.215 32 A C 1.636 179.215 177.584 -0.009 0.000 1.152 32 A CA 0.744 52.776 52.037 -0.008 0.000 0.716 32 A CB -0.600 18.395 19.000 -0.009 0.000 0.794 32 A HN 0.375 nan 8.150 nan 0.000 0.465 33 S N -1.270 114.423 115.700 -0.012 0.000 2.572 33 S HA 0.396 4.876 4.470 0.017 0.000 0.228 33 S C 1.252 175.844 174.600 -0.014 0.000 0.963 33 S CA 0.493 58.685 58.200 -0.014 0.000 0.939 33 S CB 0.133 63.322 63.200 -0.017 0.000 0.804 33 S HN 1.479 nan 8.310 nan 0.000 0.480 34 G N 1.166 109.960 108.800 -0.011 0.000 2.148 34 G HA2 -0.245 3.726 3.960 0.017 0.000 0.254 34 G HA3 -0.245 3.726 3.960 0.017 0.000 0.254 34 G C 0.051 174.944 174.900 -0.012 0.000 0.981 34 G CA 0.023 45.117 45.100 -0.010 0.000 0.670 34 G HN 0.439 nan 8.290 nan 0.000 0.528 35 V N 1.115 121.021 119.914 -0.014 0.000 2.368 35 V HA 0.417 4.547 4.120 0.017 0.000 0.266 35 V C 0.833 176.923 176.094 -0.007 0.000 1.045 35 V CA -0.431 61.859 62.300 -0.017 0.000 0.899 35 V CB 0.895 32.704 31.823 -0.024 0.000 1.006 35 V HN 0.445 nan 8.190 nan 0.000 0.470 36 c N 3.872 122.471 118.600 -0.001 0.000 2.355 36 c HA 0.540 5.121 4.570 0.017 0.000 0.332 36 c C 0.092 174.198 174.090 0.027 0.000 1.255 36 c CA -0.771 55.567 56.329 0.015 0.000 1.792 36 c CB 1.114 43.636 42.510 0.018 0.000 2.300 36 c HN 0.830 nan 8.230 nan 0.000 0.515 37 D N 0.871 121.295 120.400 0.040 0.000 2.349 37 D HA 0.527 5.177 4.640 0.017 0.000 0.232 37 D C 0.394 176.752 176.300 0.097 0.000 1.071 37 D CA -0.042 53.990 54.000 0.054 0.000 0.832 37 D CB 1.126 41.946 40.800 0.033 0.000 1.086 37 D HN 0.834 nan 8.370 nan 0.000 0.504 38 G N 3.559 112.444 108.800 0.142 0.000 4.379 38 G HA2 0.070 4.040 3.960 0.017 0.000 0.290 38 G HA3 0.070 4.040 3.960 0.017 0.000 0.290 38 G C 0.413 175.444 174.900 0.219 0.000 1.065 38 G CA -0.522 44.741 45.100 0.271 0.000 0.833 38 G HN 0.399 nan 8.290 nan 0.000 0.512 39 R N 0.438 121.010 120.500 0.120 0.000 2.531 39 R HA 0.369 4.719 4.340 0.017 0.000 0.273 39 R C 0.632 176.961 176.300 0.048 0.000 1.070 39 R CA 0.108 56.279 56.100 0.118 0.000 1.112 39 R CB 0.271 30.641 30.300 0.116 0.000 1.049 39 R HN 0.082 nan 8.270 nan 0.000 0.508 40 S N 0.959 116.716 115.700 0.095 0.000 3.521 40 S HA -0.193 4.288 4.470 0.017 0.000 0.362 40 S C -0.110 174.442 174.600 -0.080 0.000 1.044 40 S CA 1.101 59.317 58.200 0.026 0.000 1.091 40 S CB -0.947 62.232 63.200 -0.035 0.000 0.908 40 S HN 0.635 nan 8.310 nan 0.000 0.473 41 R N 0.476 120.868 120.500 -0.181 0.000 2.603 41 R HA 0.626 4.976 4.340 0.017 0.000 0.225 41 R C 0.963 177.092 176.300 -0.284 0.000 1.300 41 R CA -0.416 55.443 56.100 -0.403 0.000 1.075 41 R CB 0.289 29.953 30.300 -1.060 0.000 1.663 41 R HN 0.078 nan 8.270 nan 0.000 0.546 42 S N -0.147 115.356 115.700 -0.328 0.000 2.624 42 S HA 0.348 4.828 4.470 0.017 0.000 0.246 42 S C -0.671 173.922 174.600 -0.012 0.000 1.072 42 S CA -0.461 57.670 58.200 -0.114 0.000 1.045 42 S CB -0.247 62.912 63.200 -0.068 0.000 0.851 42 S HN 0.292 nan 8.310 nan 0.000 0.480 43 F N 2.509 122.475 119.950 0.026 0.000 2.608 43 F HA -0.009 4.529 4.527 0.017 0.000 0.380 43 F C 2.003 177.815 175.800 0.021 0.000 1.083 43 F CA 0.084 58.097 58.000 0.021 0.000 1.266 43 F CB 0.686 39.697 39.000 0.018 0.000 1.076 43 F HN 0.215 nan 8.300 nan 0.000 0.574 44 T N -1.941 112.754 114.554 0.235 0.000 3.054 44 T HA 0.223 4.584 4.350 0.017 0.000 0.255 44 T C 0.098 174.860 174.700 0.103 0.000 1.035 44 T CA 0.223 62.404 62.100 0.134 0.000 0.941 44 T CB 0.004 68.933 68.868 0.102 0.000 1.026 44 T HN 0.537 nan 8.240 nan 0.000 0.533 45 S N 0.487 116.238 115.700 0.086 0.000 2.587 45 S HA 0.609 5.090 4.470 0.017 0.000 0.269 45 S C -1.046 173.496 174.600 -0.097 0.000 1.154 45 S CA -1.215 56.995 58.200 0.016 0.000 0.824 45 S CB 0.823 64.041 63.200 0.029 0.000 1.118 45 S HN 0.107 nan 8.310 nan 0.000 0.462 46 I N 3.005 123.502 120.570 -0.122 0.000 2.668 46 I HA 0.205 4.385 4.170 0.017 0.000 0.285 46 I C -1.629 174.321 176.117 -0.278 0.000 1.168 46 I CA -1.286 59.892 61.300 -0.202 0.000 1.424 46 I CB -0.616 37.301 38.000 -0.139 0.000 1.377 46 I HN 0.585 nan 8.210 nan 0.000 0.560 47 P HA 0.042 nan 4.420 nan 0.000 0.267 47 P C -0.148 177.028 177.300 -0.206 0.000 1.200 47 P CA -0.189 62.649 63.100 -0.436 0.000 0.772 47 P CB 0.550 31.870 31.700 -0.633 0.000 0.855 48 S N 0.459 116.082 115.700 -0.128 0.000 2.655 48 S HA 0.507 4.988 4.470 0.017 0.000 0.265 48 S C 1.070 175.638 174.600 -0.053 0.000 1.240 48 S CA 0.108 58.267 58.200 -0.069 0.000 0.986 48 S CB 0.001 63.179 63.200 -0.038 0.000 0.985 48 S HN 0.933 nan 8.310 nan 0.000 0.562 49 G N 0.031 108.812 108.800 -0.032 0.000 2.246 49 G HA2 -0.193 3.777 3.960 0.017 0.000 0.273 49 G HA3 -0.193 3.777 3.960 0.017 0.000 0.273 49 G C -0.150 174.737 174.900 -0.022 0.000 1.055 49 G CA 0.236 45.324 45.100 -0.020 0.000 0.851 49 G HN 0.713 nan 8.290 nan 0.000 0.500 50 L N 0.267 121.473 121.223 -0.027 0.000 2.453 50 L HA 0.663 5.014 4.340 0.017 0.000 0.261 50 L C 1.301 178.165 176.870 -0.010 0.000 1.179 50 L CA 0.282 55.108 54.840 -0.023 0.000 0.813 50 L CB 0.994 43.036 42.059 -0.028 0.000 1.110 50 L HN 0.495 nan 8.230 nan 0.000 0.466 51 T N -2.337 112.213 114.554 -0.007 0.000 2.888 51 T HA 0.556 4.916 4.350 0.017 0.000 0.288 51 T C 0.430 175.129 174.700 -0.000 0.000 1.063 51 T CA -0.217 61.882 62.100 -0.002 0.000 1.010 51 T CB 1.771 70.638 68.868 -0.001 0.000 1.214 51 T HN 0.549 nan 8.240 nan 0.000 0.533 52 A N -0.194 122.626 122.820 0.001 0.000 2.235 52 A HA 0.545 4.876 4.320 0.017 0.000 0.208 52 A C 2.113 179.696 177.584 -0.001 0.000 1.172 52 A CA 0.812 52.849 52.037 0.001 0.000 0.786 52 A CB -1.092 17.910 19.000 0.002 0.000 0.804 52 A HN 1.198 nan 8.150 nan 0.000 0.479 53 A N -0.702 122.117 122.820 -0.002 0.000 2.195 53 A HA 0.386 4.717 4.320 0.017 0.000 0.210 53 A C 1.001 178.583 177.584 -0.004 0.000 1.165 53 A CA -0.100 51.935 52.037 -0.003 0.000 0.806 53 A CB -0.326 18.672 19.000 -0.002 0.000 0.847 53 A HN 0.504 nan 8.150 nan 0.000 0.482 54 M N 0.515 120.113 119.600 -0.004 0.000 2.188 54 M HA 0.182 4.672 4.480 0.017 0.000 0.354 54 M C 0.668 176.963 176.300 -0.008 0.000 1.342 54 M CA -0.065 55.231 55.300 -0.006 0.000 1.117 54 M CB 0.873 33.470 32.600 -0.005 0.000 1.670 54 M HN -0.006 nan 8.290 nan 0.000 0.466 55 K N 0.718 121.111 120.400 -0.011 0.000 2.350 55 K HA 0.214 4.545 4.320 0.017 0.000 0.196 55 K C 0.289 176.876 176.600 -0.022 0.000 1.084 55 K CA 0.392 56.670 56.287 -0.015 0.000 0.967 55 K CB 0.793 33.283 32.500 -0.018 0.000 0.950 55 K HN 0.604 nan 8.250 nan 0.000 0.512 56 S N 0.618 116.304 115.700 -0.023 0.000 2.571 56 S HA 0.558 5.039 4.470 0.017 0.000 0.284 56 S C -1.931 172.657 174.600 -0.020 0.000 1.128 56 S CA -0.728 57.453 58.200 -0.033 0.000 0.970 56 S CB 0.838 64.007 63.200 -0.052 0.000 1.039 56 S HN 0.061 nan 8.310 nan 0.000 0.485 57 L N 4.258 125.471 121.223 -0.016 0.000 2.372 57 L HA 0.649 4.999 4.340 0.017 0.000 0.274 57 L C -1.371 175.505 176.870 0.009 0.000 0.988 57 L CA -0.211 54.629 54.840 0.000 0.000 0.833 57 L CB 1.819 43.877 42.059 -0.001 0.000 1.236 57 L HN 0.677 nan 8.230 nan 0.000 0.410 58 D N 5.077 125.494 120.400 0.029 0.000 2.441 58 D HA 0.324 4.974 4.640 0.017 0.000 0.231 58 D C -0.287 176.067 176.300 0.090 0.000 1.073 58 D CA 0.008 54.037 54.000 0.048 0.000 0.850 58 D CB 0.831 41.657 40.800 0.044 0.000 1.062 58 D HN 0.605 nan 8.370 nan 0.000 0.524 59 L N 2.408 123.683 121.223 0.087 0.000 3.141 59 L HA 0.245 4.596 4.340 0.017 0.000 0.267 59 L C 0.471 177.405 176.870 0.106 0.000 1.281 59 L CA -0.312 54.607 54.840 0.131 0.000 1.037 59 L CB 0.432 42.544 42.059 0.089 0.000 1.407 59 L HN 0.148 nan 8.230 nan 0.000 0.566 60 S N -0.309 115.451 115.700 0.099 0.000 2.593 60 S HA 0.299 4.779 4.470 0.017 0.000 0.269 60 S C 0.373 175.067 174.600 0.156 0.000 1.334 60 S CA -0.276 57.940 58.200 0.026 0.000 1.015 60 S CB 0.230 63.465 63.200 0.058 0.000 0.912 60 S HN 0.356 nan 8.310 nan 0.000 0.541 61 F N 0.003 119.964 119.950 0.018 0.000 3.067 61 F HA -0.261 4.276 4.527 0.017 0.000 0.279 61 F C 0.415 176.219 175.800 0.008 0.000 0.945 61 F CA 0.235 58.239 58.000 0.007 0.000 0.948 61 F CB -2.229 36.772 39.000 0.001 0.000 0.898 61 F HN 0.499 nan 8.300 nan 0.000 0.746 62 N N 0.032 118.794 118.700 0.103 0.000 2.992 62 N HA 0.616 5.366 4.740 0.017 0.000 0.338 62 N C -0.051 175.497 175.510 0.062 0.000 1.376 62 N CA -1.056 52.055 53.050 0.103 0.000 0.778 62 N CB 0.706 39.299 38.487 0.176 0.000 1.232 62 N HN 0.132 nan 8.380 nan 0.000 0.581 63 K N 0.715 121.162 120.400 0.077 0.000 3.309 63 K HA 0.386 4.716 4.320 0.017 0.000 0.187 63 K C -1.035 175.600 176.600 0.059 0.000 1.085 63 K CA -0.023 56.294 56.287 0.051 0.000 0.867 63 K CB 0.254 32.789 32.500 0.059 0.000 0.846 63 K HN 0.360 nan 8.250 nan 0.000 0.522 64 I N 1.551 122.148 120.570 0.045 0.000 2.260 64 I HA 0.001 4.181 4.170 0.017 0.000 0.297 64 I C 1.197 177.325 176.117 0.019 0.000 1.143 64 I CA 0.032 61.356 61.300 0.040 0.000 1.271 64 I CB 0.795 38.806 38.000 0.019 0.000 1.461 64 I HN 0.236 nan 8.210 nan 0.000 0.530 65 T N 4.260 118.849 114.554 0.058 0.000 2.821 65 T HA -0.155 4.206 4.350 0.017 0.000 0.267 65 T C 0.078 174.855 174.700 0.128 0.000 1.046 65 T CA 1.513 63.662 62.100 0.082 0.000 1.139 65 T CB -0.090 68.838 68.868 0.100 0.000 0.871 65 T HN 0.470 nan 8.240 nan 0.000 0.454 66 Y N 0.192 120.474 120.300 -0.030 0.000 2.477 66 Y HA 0.582 5.143 4.550 0.018 0.000 0.347 66 Y C -1.601 174.247 175.900 -0.086 0.000 0.981 66 Y CA -1.870 56.198 58.100 -0.054 0.000 1.033 66 Y CB 1.215 39.653 38.460 -0.038 0.000 1.245 66 Y HN -0.052 nan 8.280 nan 0.000 0.455 67 I N 5.997 126.088 120.570 -0.799 0.000 2.410 67 I HA 0.477 4.658 4.170 0.017 0.000 0.286 67 I C 0.507 175.930 176.117 -1.157 0.000 1.009 67 I CA -0.691 60.173 61.300 -0.726 0.000 1.111 67 I CB 1.473 39.164 38.000 -0.514 0.000 1.262 67 I HN 0.867 nan 8.210 nan 0.000 0.443 68 G N 2.850 111.141 108.800 -0.849 0.000 2.543 68 G HA2 0.187 4.157 3.960 0.017 0.000 0.290 68 G HA3 0.187 4.157 3.960 0.017 0.000 0.290 68 G C 0.481 175.157 174.900 -0.373 0.000 1.310 68 G CA -0.112 44.633 45.100 -0.592 0.000 1.025 68 G HN 0.716 nan 8.290 nan 0.000 0.502 69 H N -0.790 118.215 119.070 -0.108 0.000 2.353 69 H HA -0.011 4.556 4.556 0.018 0.000 0.300 69 H C 2.436 177.721 175.328 -0.072 0.000 1.090 69 H CA 1.808 57.803 56.048 -0.089 0.000 1.327 69 H CB 0.246 29.982 29.762 -0.043 0.000 1.383 69 H HN 0.499 nan 8.280 nan 0.000 0.508 70 G N -0.721 108.123 108.800 0.075 0.000 3.159 70 G HA2 -0.049 3.922 3.960 0.017 0.000 0.232 70 G HA3 -0.049 3.922 3.960 0.017 0.000 0.232 70 G C 0.641 175.541 174.900 0.000 0.000 1.116 70 G CA -0.052 45.071 45.100 0.038 0.000 0.767 70 G HN 0.207 nan 8.290 nan 0.000 0.547 71 D N 1.044 121.419 120.400 -0.042 0.000 2.149 71 D HA -0.064 4.587 4.640 0.017 0.000 0.198 71 D C 1.822 178.097 176.300 -0.041 0.000 0.990 71 D CA 0.882 54.847 54.000 -0.058 0.000 0.839 71 D CB 0.250 40.984 40.800 -0.111 0.000 0.948 71 D HN 0.339 nan 8.370 nan 0.000 0.460 72 L N -0.068 121.141 121.223 -0.022 0.000 3.066 72 L HA 0.282 4.632 4.340 0.017 0.000 0.265 72 L C 1.885 178.782 176.870 0.046 0.000 1.232 72 L CA -0.231 54.622 54.840 0.021 0.000 1.031 72 L CB 0.494 42.598 42.059 0.074 0.000 1.379 72 L HN -0.195 nan 8.230 nan 0.000 0.563 73 R N 0.903 121.427 120.500 0.040 0.000 2.148 73 R HA -0.030 4.320 4.340 0.017 0.000 0.223 73 R C 2.172 178.499 176.300 0.045 0.000 1.088 73 R CA 1.223 57.359 56.100 0.061 0.000 0.985 73 R CB 0.124 30.463 30.300 0.065 0.000 0.880 73 R HN 0.386 nan 8.270 nan 0.000 0.451 74 A N 0.421 123.257 122.820 0.026 0.000 1.970 74 A HA -0.071 4.260 4.320 0.017 0.000 0.216 74 A C 1.343 178.936 177.584 0.014 0.000 1.170 74 A CA 0.790 52.837 52.037 0.018 0.000 0.645 74 A CB -0.312 18.693 19.000 0.008 0.000 0.816 74 A HN 0.585 nan 8.150 nan 0.000 0.447 75 C N -0.835 118.474 119.300 0.015 0.000 2.615 75 C HA 0.716 5.187 4.460 0.017 0.000 0.503 75 C C 1.665 176.663 174.990 0.014 0.000 1.039 75 C CA -0.884 58.141 59.018 0.010 0.000 1.226 75 C CB -1.551 26.193 27.740 0.006 0.000 1.447 75 C HN 0.547 nan 8.230 nan 0.000 0.572 76 A N 1.953 124.780 122.820 0.011 0.000 2.067 76 A HA -0.065 4.266 4.320 0.017 0.000 0.219 76 A C 1.852 179.435 177.584 -0.001 0.000 1.158 76 A CA 1.206 53.247 52.037 0.006 0.000 0.661 76 A CB -0.275 18.726 19.000 0.003 0.000 0.801 76 A HN 0.778 nan 8.150 nan 0.000 0.452 77 N N -0.369 118.330 118.700 -0.001 0.000 2.235 77 N HA 0.121 4.871 4.740 0.017 0.000 0.209 77 N C -0.206 175.301 175.510 -0.004 0.000 1.122 77 N CA -0.196 52.852 53.050 -0.004 0.000 0.845 77 N CB 0.205 38.689 38.487 -0.004 0.000 1.004 77 N HN 0.368 nan 8.380 nan 0.000 0.499 78 L N 1.608 122.830 121.223 -0.003 0.000 2.499 78 L HA -0.051 4.300 4.340 0.017 0.000 0.273 78 L C 1.282 178.148 176.870 -0.006 0.000 1.195 78 L CA 0.880 55.717 54.840 -0.005 0.000 0.882 78 L CB 0.641 42.698 42.059 -0.003 0.000 1.133 78 L HN 0.086 nan 8.230 nan 0.000 0.483 79 Q N 2.819 122.614 119.800 -0.008 0.000 2.402 79 Q HA 0.268 4.619 4.340 0.017 0.000 0.231 79 Q C -0.749 175.255 176.000 0.007 0.000 0.888 79 Q CA 0.119 55.921 55.803 -0.002 0.000 0.938 79 Q CB 1.021 29.755 28.738 -0.008 0.000 1.086 79 Q HN 0.496 nan 8.270 nan 0.000 0.543 80 V N 1.730 121.637 119.914 -0.012 0.000 2.577 80 V HA 0.374 4.504 4.120 0.017 0.000 0.303 80 V C -1.397 174.691 176.094 -0.010 0.000 1.042 80 V CA -0.788 61.501 62.300 -0.018 0.000 0.872 80 V CB 2.134 33.887 31.823 -0.117 0.000 0.998 80 V HN 0.071 nan 8.190 nan 0.000 0.423 81 L N 6.871 128.116 121.223 0.035 0.000 2.415 81 L HA 0.657 5.007 4.340 0.017 0.000 0.268 81 L C -0.899 176.010 176.870 0.065 0.000 0.984 81 L CA 0.087 54.937 54.840 0.016 0.000 0.853 81 L CB 1.286 43.322 42.059 -0.039 0.000 1.215 81 L HN 0.572 nan 8.230 nan 0.000 0.419 82 I N 6.338 126.933 120.570 0.043 0.000 2.339 82 I HA 0.308 4.489 4.170 0.017 0.000 0.290 82 I C 0.089 176.222 176.117 0.027 0.000 0.994 82 I CA -0.245 61.091 61.300 0.061 0.000 1.191 82 I CB 1.416 39.439 38.000 0.039 0.000 1.343 82 I HN 0.579 nan 8.210 nan 0.000 0.458 83 L N 6.307 127.534 121.223 0.007 0.000 3.366 83 L HA 0.280 4.631 4.340 0.017 0.000 0.304 83 L C 0.547 177.360 176.870 -0.095 0.000 1.292 83 L CA -0.205 54.616 54.840 -0.032 0.000 1.012 83 L CB 0.207 42.249 42.059 -0.027 0.000 1.414 83 L HN 0.522 nan 8.230 nan 0.000 0.603 84 K N 0.513 120.837 120.400 -0.127 0.000 2.436 84 K HA 0.054 4.384 4.320 0.017 0.000 0.275 84 K C 0.694 177.000 176.600 -0.490 0.000 0.999 84 K CA 0.399 56.541 56.287 -0.241 0.000 0.980 84 K CB 0.529 32.905 32.500 -0.208 0.000 0.919 84 K HN 0.155 nan 8.250 nan 0.000 0.484 85 S N 1.074 116.517 115.700 -0.428 0.000 3.549 85 S HA -0.150 4.330 4.470 0.017 0.000 0.366 85 S C -0.437 173.942 174.600 -0.369 0.000 1.012 85 S CA 0.846 58.764 58.200 -0.469 0.000 1.141 85 S CB -1.085 61.634 63.200 -0.802 0.000 0.910 85 S HN 0.673 nan 8.310 nan 0.000 0.471 86 S N -0.027 115.516 115.700 -0.262 0.000 2.758 86 S HA 0.523 5.003 4.470 0.017 0.000 0.292 86 S C 0.891 175.353 174.600 -0.230 0.000 1.131 86 S CA -1.009 57.092 58.200 -0.164 0.000 0.997 86 S CB 0.912 64.053 63.200 -0.099 0.000 1.111 86 S HN 0.441 nan 8.310 nan 0.000 0.552 87 R N 0.754 121.138 120.500 -0.194 0.000 3.039 87 R HA 0.336 4.686 4.340 0.017 0.000 0.336 87 R C -0.737 175.432 176.300 -0.218 0.000 1.258 87 R CA -0.083 55.803 56.100 -0.357 0.000 1.125 87 R CB -0.509 29.688 30.300 -0.172 0.000 1.427 87 R HN 0.466 nan 8.270 nan 0.000 0.588 88 I N 2.125 122.593 120.570 -0.169 0.000 2.587 88 I HA -0.091 4.089 4.170 0.017 0.000 0.284 88 I C 0.893 177.017 176.117 0.012 0.000 1.134 88 I CA 0.291 61.549 61.300 -0.070 0.000 1.410 88 I CB 0.342 38.285 38.000 -0.095 0.000 1.392 88 I HN 0.383 nan 8.210 nan 0.000 0.545 89 N N 2.392 121.140 118.700 0.081 0.000 2.193 89 N HA 0.068 4.818 4.740 0.017 0.000 0.210 89 N C -0.175 175.425 175.510 0.150 0.000 1.215 89 N CA -0.176 52.966 53.050 0.153 0.000 0.901 89 N CB 0.912 39.511 38.487 0.185 0.000 1.060 89 N HN 0.442 nan 8.380 nan 0.000 0.508 90 T N 0.904 115.530 114.554 0.120 0.000 2.971 90 T HA 0.530 4.890 4.350 0.017 0.000 0.304 90 T C -1.144 173.534 174.700 -0.036 0.000 1.038 90 T CA -0.419 61.768 62.100 0.146 0.000 1.007 90 T CB 1.618 70.657 68.868 0.285 0.000 1.055 90 T HN 0.062 nan 8.240 nan 0.000 0.451 91 I N 2.517 123.060 120.570 -0.044 0.000 2.500 91 I HA 0.282 4.463 4.170 0.017 0.000 0.286 91 I C -0.012 176.045 176.117 -0.100 0.000 1.063 91 I CA -1.031 60.060 61.300 -0.350 0.000 1.062 91 I CB 1.922 39.402 38.000 -0.868 0.000 1.223 91 I HN 0.426 nan 8.210 nan 0.000 0.435 92 E N 3.772 123.764 120.200 -0.346 0.000 2.442 92 E HA 0.008 4.369 4.350 0.017 0.000 0.262 92 E C 1.209 177.780 176.600 -0.049 0.000 1.004 92 E CA 0.309 56.556 56.400 -0.254 0.000 0.928 92 E CB 1.074 30.369 29.700 -0.676 0.000 0.937 92 E HN 0.859 nan 8.360 nan 0.000 0.446 93 G N 2.849 111.669 108.800 0.034 0.000 2.503 93 G HA2 -0.292 3.679 3.960 0.017 0.000 0.221 93 G HA3 -0.292 3.679 3.960 0.017 0.000 0.221 93 G C 0.708 175.649 174.900 0.067 0.000 1.131 93 G CA 1.283 46.416 45.100 0.055 0.000 0.756 93 G HN 0.551 nan 8.290 nan 0.000 0.572 94 D N 0.004 120.405 120.400 0.001 0.000 2.388 94 D HA 0.464 5.115 4.640 0.017 0.000 0.221 94 D C 1.879 178.152 176.300 -0.044 0.000 1.133 94 D CA 0.441 54.452 54.000 0.019 0.000 0.831 94 D CB -0.114 40.681 40.800 -0.009 0.000 0.962 94 D HN 0.217 nan 8.370 nan 0.000 0.502 95 A N 0.115 122.769 122.820 -0.276 0.000 2.024 95 A HA -0.095 4.236 4.320 0.017 0.000 0.220 95 A C 0.962 178.344 177.584 -0.335 0.000 1.164 95 A CA 0.794 52.548 52.037 -0.471 0.000 0.643 95 A CB -0.748 17.707 19.000 -0.908 0.000 0.806 95 A HN 0.270 nan 8.150 nan 0.000 0.451 96 F N -2.664 117.289 119.950 0.006 0.000 2.684 96 F HA 0.260 4.798 4.527 0.018 0.000 0.298 96 F C 1.201 177.058 175.800 0.095 0.000 1.120 96 F CA -1.459 56.554 58.000 0.020 0.000 1.332 96 F CB -0.970 38.023 39.000 -0.012 0.000 0.986 96 F HN 0.320 nan 8.300 nan 0.000 0.524 97 Y N 1.740 122.115 120.300 0.125 0.000 2.193 97 Y HA -0.292 4.269 4.550 0.018 0.000 0.285 97 Y C 2.353 178.305 175.900 0.087 0.000 1.166 97 Y CA 1.871 60.028 58.100 0.095 0.000 1.181 97 Y CB -0.217 38.278 38.460 0.057 0.000 0.976 97 Y HN 0.128 nan 8.280 nan 0.000 0.520 98 S N -1.248 114.495 115.700 0.071 0.000 2.577 98 S HA 0.180 4.661 4.470 0.017 0.000 0.219 98 S C 0.616 175.212 174.600 -0.008 0.000 0.962 98 S CA -0.251 57.931 58.200 -0.030 0.000 0.921 98 S CB -0.669 62.556 63.200 0.042 0.000 0.789 98 S HN 0.325 nan 8.310 nan 0.000 0.497 99 L N 2.095 123.338 121.223 0.034 0.000 2.998 99 L HA 0.377 4.727 4.340 0.017 0.000 0.234 99 L C 1.779 178.649 176.870 0.001 0.000 1.350 99 L CA -0.304 54.551 54.840 0.025 0.000 1.202 99 L CB -0.560 41.522 42.059 0.040 0.000 1.583 99 L HN 0.471 nan 8.230 nan 0.000 0.456 100 G N -0.697 108.086 108.800 -0.028 0.000 2.559 100 G HA2 -0.145 3.826 3.960 0.017 0.000 0.216 100 G HA3 -0.145 3.826 3.960 0.017 0.000 0.216 100 G C 1.307 176.200 174.900 -0.011 0.000 1.126 100 G CA 0.376 45.459 45.100 -0.028 0.000 0.778 100 G HN 0.439 nan 8.290 nan 0.000 0.543 101 S N -0.633 115.062 115.700 -0.008 0.000 2.539 101 S HA 0.244 4.725 4.470 0.017 0.000 0.221 101 S C 0.438 175.040 174.600 0.003 0.000 0.987 101 S CA -0.676 57.523 58.200 -0.002 0.000 0.929 101 S CB 0.333 63.530 63.200 -0.005 0.000 0.832 101 S HN 0.226 nan 8.310 nan 0.000 0.492 102 L N 2.780 124.004 121.223 0.001 0.000 2.499 102 L HA 0.091 4.442 4.340 0.017 0.000 0.273 102 L C 0.892 177.776 176.870 0.023 0.000 1.195 102 L CA 1.114 55.956 54.840 0.002 0.000 0.882 102 L CB 0.388 42.430 42.059 -0.028 0.000 1.133 102 L HN 0.110 nan 8.230 nan 0.000 0.483 103 E N 1.882 122.109 120.200 0.045 0.000 2.453 103 E HA 0.074 4.434 4.350 0.017 0.000 0.211 103 E C -0.553 176.127 176.600 0.133 0.000 0.897 103 E CA 0.023 56.465 56.400 0.069 0.000 1.063 103 E CB 0.554 30.289 29.700 0.058 0.000 1.080 103 E HN 0.700 nan 8.360 nan 0.000 0.512 104 H N 0.291 119.375 119.070 0.023 0.000 2.744 104 H HA 0.426 4.992 4.556 0.017 0.000 0.339 104 H C -1.814 173.549 175.328 0.058 0.000 1.004 104 H CA -0.936 55.156 56.048 0.072 0.000 1.257 104 H CB 1.105 30.846 29.762 -0.035 0.000 1.552 104 H HN -0.073 nan 8.280 nan 0.000 0.522 105 L N 5.158 126.413 121.223 0.054 0.000 2.372 105 L HA 0.381 4.732 4.340 0.017 0.000 0.274 105 L C -1.534 175.359 176.870 0.038 0.000 0.988 105 L CA -0.474 54.384 54.840 0.029 0.000 0.833 105 L CB 1.563 43.576 42.059 -0.077 0.000 1.236 105 L HN 0.721 nan 8.230 nan 0.000 0.410 106 D N 4.961 125.434 120.400 0.122 0.000 2.453 106 D HA 0.337 4.988 4.640 0.017 0.000 0.238 106 D C -0.143 176.192 176.300 0.059 0.000 1.088 106 D CA -0.054 54.026 54.000 0.134 0.000 0.854 106 D CB 1.065 42.017 40.800 0.254 0.000 1.076 106 D HN 0.660 nan 8.370 nan 0.000 0.533 107 L N 2.549 123.798 121.223 0.043 0.000 3.014 107 L HA 0.150 4.501 4.340 0.017 0.000 0.263 107 L C 0.837 177.724 176.870 0.029 0.000 1.207 107 L CA -0.336 54.520 54.840 0.027 0.000 1.017 107 L CB 0.259 42.353 42.059 0.058 0.000 1.360 107 L HN 0.290 nan 8.230 nan 0.000 0.560 108 S N -1.197 114.515 115.700 0.020 0.000 2.573 108 S HA 0.025 4.506 4.470 0.017 0.000 0.277 108 S C 0.430 175.009 174.600 -0.035 0.000 1.346 108 S CA -0.351 57.853 58.200 0.006 0.000 1.034 108 S CB 0.589 63.794 63.200 0.009 0.000 0.879 108 S HN 0.393 nan 8.310 nan 0.000 0.528 109 D N 0.613 120.997 120.400 -0.027 0.000 2.723 109 D HA -0.150 4.501 4.640 0.017 0.000 0.236 109 D C -0.240 176.025 176.300 -0.058 0.000 1.138 109 D CA 1.157 55.134 54.000 -0.038 0.000 0.676 109 D CB -1.979 38.785 40.800 -0.061 0.000 1.069 109 D HN 0.727 nan 8.370 nan 0.000 0.430 110 N N -1.092 117.592 118.700 -0.027 0.000 2.867 110 N HA 0.406 5.156 4.740 0.017 0.000 0.326 110 N C 0.491 176.053 175.510 0.088 0.000 1.355 110 N CA -0.569 52.428 53.050 -0.089 0.000 0.830 110 N CB 0.689 39.134 38.487 -0.070 0.000 1.152 110 N HN 0.159 nan 8.380 nan 0.000 0.569 111 H N -0.298 118.794 119.070 0.037 0.000 2.481 111 H HA 0.284 4.851 4.556 0.017 0.000 0.273 111 H C -0.714 174.672 175.328 0.096 0.000 1.145 111 H CA -0.540 55.539 56.048 0.052 0.000 0.964 111 H CB 0.333 30.122 29.762 0.045 0.000 1.722 111 H HN -0.004 nan 8.280 nan 0.000 0.573 112 L N 2.397 123.768 121.223 0.246 0.000 2.385 112 L HA 0.020 4.370 4.340 0.017 0.000 0.281 112 L C 1.377 178.443 176.870 0.327 0.000 1.106 112 L CA 0.351 55.370 54.840 0.299 0.000 0.856 112 L CB 0.610 42.891 42.059 0.369 0.000 1.186 112 L HN 0.323 nan 8.230 nan 0.000 0.453 113 S N 0.038 115.896 115.700 0.263 0.000 2.556 113 S HA 0.193 4.674 4.470 0.017 0.000 0.216 113 S C 0.710 175.461 174.600 0.253 0.000 0.970 113 S CA -0.195 58.148 58.200 0.237 0.000 0.912 113 S CB 0.330 63.617 63.200 0.144 0.000 0.790 113 S HN 0.491 nan 8.310 nan 0.000 0.504 114 S N 0.421 116.262 115.700 0.236 0.000 2.548 114 S HA 0.694 5.175 4.470 0.017 0.000 0.276 114 S C -1.298 173.337 174.600 0.059 0.000 1.129 114 S CA -0.841 57.428 58.200 0.115 0.000 0.931 114 S CB 0.972 64.201 63.200 0.048 0.000 1.068 114 S HN 0.403 nan 8.310 nan 0.000 0.480 115 L N 2.820 123.963 121.223 -0.133 0.000 2.334 115 L HA 0.685 5.035 4.340 0.017 0.000 0.276 115 L C 0.041 176.502 176.870 -0.681 0.000 1.014 115 L CA -0.748 53.882 54.840 -0.349 0.000 0.815 115 L CB 2.019 43.962 42.059 -0.192 0.000 1.268 115 L HN 0.609 nan 8.230 nan 0.000 0.428 116 S N -0.292 114.558 115.700 -1.418 0.000 2.478 116 S HA 0.234 4.714 4.470 0.017 0.000 0.312 116 S C 0.927 175.035 174.600 -0.820 0.000 1.094 116 S CA -0.392 57.114 58.200 -1.158 0.000 1.081 116 S CB 1.546 63.848 63.200 -1.498 0.000 1.007 116 S HN 0.723 nan 8.310 nan 0.000 0.475 117 S N 3.835 119.284 115.700 -0.418 0.000 2.442 117 S HA -0.085 4.395 4.470 0.017 0.000 0.236 117 S C 1.715 176.228 174.600 -0.146 0.000 1.007 117 S CA 1.303 59.395 58.200 -0.180 0.000 0.965 117 S CB -0.515 62.596 63.200 -0.149 0.000 0.773 117 S HN 0.623 nan 8.310 nan 0.000 0.504 118 S N 0.838 116.381 115.700 -0.263 0.000 2.399 118 S HA -0.034 4.447 4.470 0.017 0.000 0.231 118 S C 1.358 175.952 174.600 -0.009 0.000 1.022 118 S CA 1.015 59.140 58.200 -0.125 0.000 0.983 118 S CB -0.497 62.617 63.200 -0.144 0.000 0.803 118 S HN 0.713 nan 8.310 nan 0.000 0.480 119 W N 1.072 122.203 121.300 -0.282 0.000 2.363 119 W HA 0.026 4.696 4.660 0.017 0.000 0.296 119 W C 1.531 177.934 176.519 -0.193 0.000 1.212 119 W CA 0.313 57.459 57.345 -0.331 0.000 1.260 119 W CB -1.358 27.694 29.460 -0.680 0.000 1.131 119 W HN 0.338 nan 8.180 nan 0.000 0.530 120 F N -0.267 119.912 119.950 0.381 0.000 2.698 120 F HA 0.249 4.787 4.527 0.018 0.000 0.295 120 F C 2.469 178.370 175.800 0.170 0.000 1.124 120 F CA 0.457 58.608 58.000 0.252 0.000 1.426 120 F CB -1.460 37.665 39.000 0.207 0.000 1.120 120 F HN -0.153 nan 8.300 nan 0.000 0.583 121 G N 2.001 110.959 108.800 0.264 0.000 2.505 121 G HA2 -0.243 3.727 3.960 0.017 0.000 0.220 121 G HA3 -0.243 3.727 3.960 0.017 0.000 0.220 121 G C -0.480 174.520 174.900 0.167 0.000 1.145 121 G CA 0.920 46.131 45.100 0.185 0.000 0.761 121 G HN 0.286 nan 8.290 nan 0.000 0.571 122 P HA 0.187 nan 4.420 nan 0.000 0.255 122 P C 0.477 177.830 177.300 0.087 0.000 1.248 122 P CA 0.077 63.238 63.100 0.101 0.000 0.807 122 P CB 0.090 31.835 31.700 0.075 0.000 1.150 123 L N 1.181 122.491 121.223 0.144 0.000 2.648 123 L HA 0.151 4.502 4.340 0.017 0.000 0.238 123 L C 1.821 178.744 176.870 0.089 0.000 1.316 123 L CA -0.169 54.739 54.840 0.114 0.000 1.241 123 L CB -0.365 41.790 42.059 0.161 0.000 1.499 123 L HN -0.028 nan 8.230 nan 0.000 0.411 124 S N -1.966 113.768 115.700 0.058 0.000 2.423 124 S HA -0.129 4.351 4.470 0.017 0.000 0.231 124 S C 1.628 176.249 174.600 0.035 0.000 1.014 124 S CA 1.060 59.288 58.200 0.046 0.000 0.965 124 S CB -0.021 63.196 63.200 0.029 0.000 0.785 124 S HN 0.508 nan 8.310 nan 0.000 0.495 125 S N 0.987 116.705 115.700 0.029 0.000 2.575 125 S HA 0.354 4.834 4.470 0.017 0.000 0.215 125 S C 0.222 174.839 174.600 0.029 0.000 0.966 125 S CA -0.483 57.731 58.200 0.024 0.000 0.911 125 S CB -0.337 62.873 63.200 0.016 0.000 0.780 125 S HN 0.420 nan 8.310 nan 0.000 0.514 126 L N 2.671 123.915 121.223 0.035 0.000 2.513 126 L HA 0.076 4.426 4.340 0.017 0.000 0.272 126 L C 0.908 177.789 176.870 0.019 0.000 1.187 126 L CA 0.984 55.843 54.840 0.031 0.000 0.895 126 L CB 0.425 42.506 42.059 0.036 0.000 1.147 126 L HN -0.012 nan 8.230 nan 0.000 0.483 127 K N 3.881 124.303 120.400 0.035 0.000 2.387 127 K HA 0.100 4.431 4.320 0.017 0.000 0.197 127 K C -0.772 175.855 176.600 0.046 0.000 1.127 127 K CA 0.021 56.330 56.287 0.037 0.000 0.950 127 K CB 0.643 33.180 32.500 0.060 0.000 1.017 127 K HN 0.507 nan 8.250 nan 0.000 0.519 128 Y N 1.172 121.404 120.300 -0.115 0.000 2.361 128 Y HA 0.486 5.047 4.550 0.017 0.000 0.337 128 Y C -1.797 173.937 175.900 -0.277 0.000 0.965 128 Y CA -1.517 56.456 58.100 -0.211 0.000 1.091 128 Y CB 1.470 39.765 38.460 -0.275 0.000 1.182 128 Y HN -0.157 nan 8.280 nan 0.000 0.450 129 L N 7.210 128.015 121.223 -0.696 0.000 2.441 129 L HA 0.530 4.881 4.340 0.017 0.000 0.270 129 L C -2.089 174.395 176.870 -0.644 0.000 0.973 129 L CA -0.423 54.112 54.840 -0.509 0.000 0.842 129 L CB 1.609 43.449 42.059 -0.364 0.000 1.239 129 L HN 0.761 nan 8.230 nan 0.000 0.406 130 N N 5.249 123.685 118.700 -0.439 0.000 2.443 130 N HA 0.439 5.189 4.740 0.017 0.000 0.269 130 N C -0.482 174.988 175.510 -0.066 0.000 0.985 130 N CA -0.299 52.581 53.050 -0.284 0.000 0.921 130 N CB 1.343 39.742 38.487 -0.147 0.000 1.195 130 N HN 0.812 nan 8.380 nan 0.000 0.492 131 L N 2.324 123.536 121.223 -0.018 0.000 2.906 131 L HA 0.377 4.727 4.340 0.017 0.000 0.255 131 L C 0.959 177.927 176.870 0.162 0.000 1.166 131 L CA -0.127 54.799 54.840 0.143 0.000 0.977 131 L CB 0.158 42.344 42.059 0.212 0.000 1.313 131 L HN 0.400 nan 8.230 nan 0.000 0.549 132 M N -0.058 119.557 119.600 0.025 0.000 2.245 132 M HA 0.281 4.772 4.480 0.017 0.000 0.330 132 M C 1.303 177.567 176.300 -0.059 0.000 1.098 132 M CA 1.417 56.689 55.300 -0.046 0.000 1.172 132 M CB 0.712 33.260 32.600 -0.086 0.000 1.467 132 M HN 0.223 nan 8.290 nan 0.000 0.454 133 G N 1.998 110.722 108.800 -0.127 0.000 2.159 133 G HA2 -0.271 3.700 3.960 0.017 0.000 0.256 133 G HA3 -0.271 3.700 3.960 0.017 0.000 0.256 133 G C -0.540 174.306 174.900 -0.089 0.000 0.977 133 G CA 0.204 45.245 45.100 -0.098 0.000 0.652 133 G HN 0.731 nan 8.290 nan 0.000 0.531 134 N N 0.876 119.476 118.700 -0.166 0.000 2.443 134 N HA 0.546 5.296 4.740 0.017 0.000 0.295 134 N C -1.754 173.555 175.510 -0.336 0.000 1.076 134 N CA -1.605 51.378 53.050 -0.111 0.000 0.919 134 N CB 1.987 40.546 38.487 0.119 0.000 1.176 134 N HN -0.023 nan 8.380 nan 0.000 0.487 135 P HA -0.038 nan 4.420 nan 0.000 0.271 135 P C -1.136 176.145 177.300 -0.031 0.000 1.535 135 P CA 0.143 63.183 63.100 -0.100 0.000 0.820 135 P CB -0.636 31.055 31.700 -0.014 0.000 1.606 136 Y N -2.045 118.337 120.300 0.138 0.000 2.301 136 Y HA 0.339 4.900 4.550 0.017 0.000 0.328 136 Y C 1.595 177.622 175.900 0.211 0.000 1.242 136 Y CA -0.890 57.303 58.100 0.156 0.000 1.323 136 Y CB -0.004 38.556 38.460 0.168 0.000 1.266 136 Y HN -0.167 nan 8.280 nan 0.000 0.527 137 Q N 0.877 120.885 119.800 0.348 0.000 2.376 137 Q HA 0.121 4.472 4.340 0.017 0.000 0.206 137 Q C 0.015 176.117 176.000 0.171 0.000 0.921 137 Q CA 1.138 57.068 55.803 0.210 0.000 0.911 137 Q CB 0.408 29.193 28.738 0.079 0.000 1.032 137 Q HN 0.948 nan 8.270 nan 0.000 0.510 138 T N -4.412 110.315 114.554 0.288 0.000 2.762 138 T HA 0.357 4.718 4.350 0.017 0.000 0.301 138 T C 0.209 175.030 174.700 0.202 0.000 1.299 138 T CA -0.789 61.413 62.100 0.171 0.000 1.005 138 T CB 0.500 69.346 68.868 -0.037 0.000 1.377 138 T HN -0.001 nan 8.240 nan 0.000 0.504 139 L N 1.088 122.364 121.223 0.088 0.000 2.599 139 L HA 0.455 4.805 4.340 0.017 0.000 0.230 139 L C 1.509 178.266 176.870 -0.189 0.000 1.141 139 L CA 0.755 55.512 54.840 -0.138 0.000 0.877 139 L CB -1.053 40.915 42.059 -0.152 0.000 1.009 139 L HN 1.252 nan 8.230 nan 0.000 0.447 140 G N -0.882 107.842 108.800 -0.126 0.000 2.592 140 G HA2 -0.186 3.784 3.960 0.017 0.000 0.684 140 G HA3 -0.186 3.784 3.960 0.017 0.000 0.684 140 G C -0.034 174.780 174.900 -0.144 0.000 1.291 140 G CA -0.540 44.475 45.100 -0.140 0.000 0.891 140 G HN -0.283 nan 8.290 nan 0.000 0.544 141 V N 0.189 120.023 119.914 -0.133 0.000 3.623 141 V HA 0.231 4.362 4.120 0.017 0.000 0.271 141 V C 1.309 177.323 176.094 -0.133 0.000 1.248 141 V CA 1.885 64.112 62.300 -0.121 0.000 1.156 141 V CB -0.236 31.529 31.823 -0.098 0.000 0.870 141 V HN 0.863 nan 8.190 nan 0.000 0.453 142 T N 0.080 114.537 114.554 -0.161 0.000 2.824 142 T HA 0.327 4.687 4.350 0.017 0.000 0.282 142 T C 0.140 174.714 174.700 -0.211 0.000 0.993 142 T CA -0.263 61.740 62.100 -0.162 0.000 0.967 142 T CB 1.674 70.450 68.868 -0.152 0.000 0.960 142 T HN 0.151 nan 8.240 nan 0.000 0.441 143 S N 2.752 118.336 115.700 -0.193 0.000 2.575 143 S HA 0.042 4.523 4.470 0.017 0.000 0.295 143 S C 1.449 175.854 174.600 -0.325 0.000 1.267 143 S CA -0.298 57.753 58.200 -0.249 0.000 1.074 143 S CB -0.009 63.103 63.200 -0.147 0.000 0.829 143 S HN 0.516 nan 8.310 nan 0.000 0.497 144 L N 1.958 122.796 121.223 -0.640 0.000 2.307 144 L HA 0.122 4.472 4.340 0.017 0.000 0.211 144 L C 0.665 177.153 176.870 -0.635 0.000 1.099 144 L CA 0.847 55.246 54.840 -0.735 0.000 0.816 144 L CB -0.170 41.167 42.059 -1.203 0.000 0.952 144 L HN 0.625 nan 8.230 nan 0.000 0.455 145 F N -1.323 118.592 119.950 -0.058 0.000 2.661 145 F HA 0.249 4.787 4.527 0.019 0.000 0.306 145 F C -0.971 174.825 175.800 -0.007 0.000 1.094 145 F CA -1.593 56.370 58.000 -0.062 0.000 1.254 145 F CB -1.303 37.639 39.000 -0.098 0.000 1.040 145 F HN -0.040 nan 8.300 nan 0.000 0.562 146 P HA -0.141 nan 4.420 nan 0.000 0.221 146 P C 0.335 177.687 177.300 0.087 0.000 1.145 146 P CA 1.444 64.596 63.100 0.087 0.000 0.795 146 P CB 0.120 31.845 31.700 0.041 0.000 0.775 147 N N -0.367 118.394 118.700 0.103 0.000 2.422 147 N HA 0.056 4.807 4.740 0.017 0.000 0.181 147 N C 0.832 176.402 175.510 0.100 0.000 1.080 147 N CA 0.310 53.419 53.050 0.097 0.000 0.893 147 N CB -0.539 38.015 38.487 0.113 0.000 0.973 147 N HN 0.201 nan 8.380 nan 0.000 0.456 148 L N 1.230 122.522 121.223 0.116 0.000 2.583 148 L HA 0.171 4.522 4.340 0.017 0.000 0.239 148 L C 0.674 177.574 176.870 0.050 0.000 1.347 148 L CA -0.085 54.806 54.840 0.085 0.000 1.246 148 L CB -0.565 41.541 42.059 0.079 0.000 1.496 148 L HN 0.083 nan 8.230 nan 0.000 0.413 149 T N -1.235 113.347 114.554 0.046 0.000 2.929 149 T HA -0.104 4.256 4.350 0.017 0.000 0.271 149 T C 1.452 176.164 174.700 0.019 0.000 1.085 149 T CA 1.152 63.271 62.100 0.032 0.000 1.125 149 T CB -0.103 68.783 68.868 0.031 0.000 0.874 149 T HN 0.453 nan 8.240 nan 0.000 0.494 150 N N 0.603 119.314 118.700 0.017 0.000 2.203 150 N HA 0.178 4.928 4.740 0.017 0.000 0.207 150 N C -0.007 175.503 175.510 -0.001 0.000 1.130 150 N CA -0.198 52.858 53.050 0.011 0.000 0.861 150 N CB 0.148 38.644 38.487 0.016 0.000 1.005 150 N HN 0.288 nan 8.380 nan 0.000 0.507 151 L N 1.738 122.951 121.223 -0.018 0.000 2.540 151 L HA -0.068 4.283 4.340 0.017 0.000 0.276 151 L C 1.230 178.069 176.870 -0.053 0.000 1.212 151 L CA 1.022 55.829 54.840 -0.056 0.000 0.893 151 L CB 0.604 42.596 42.059 -0.112 0.000 1.138 151 L HN 0.111 nan 8.230 nan 0.000 0.491 152 Q N 1.654 121.425 119.800 -0.049 0.000 2.422 152 Q HA 0.236 4.586 4.340 0.017 0.000 0.255 152 Q C -0.360 175.605 176.000 -0.058 0.000 0.864 152 Q CA 0.258 56.046 55.803 -0.026 0.000 0.968 152 Q CB 0.799 29.546 28.738 0.014 0.000 1.130 152 Q HN 0.704 nan 8.270 nan 0.000 0.556 153 T N 1.378 115.869 114.554 -0.106 0.000 2.879 153 T HA 0.552 4.912 4.350 0.017 0.000 0.290 153 T C -1.691 172.784 174.700 -0.375 0.000 0.993 153 T CA -0.441 61.549 62.100 -0.184 0.000 0.975 153 T CB 1.774 70.603 68.868 -0.065 0.000 0.981 153 T HN -0.033 nan 8.240 nan 0.000 0.439 154 L N 3.677 124.674 121.223 -0.377 0.000 2.409 154 L HA 0.677 5.027 4.340 0.017 0.000 0.272 154 L C -1.116 175.539 176.870 -0.359 0.000 0.980 154 L CA -0.462 54.109 54.840 -0.449 0.000 0.826 154 L CB 1.468 43.226 42.059 -0.501 0.000 1.268 154 L HN 0.557 nan 8.230 nan 0.000 0.407 155 R N 6.633 126.924 120.500 -0.347 0.000 2.513 155 R HA 0.814 5.165 4.340 0.017 0.000 0.301 155 R C -1.034 175.171 176.300 -0.157 0.000 0.968 155 R CA -0.679 55.285 56.100 -0.227 0.000 0.872 155 R CB 1.943 32.117 30.300 -0.211 0.000 1.177 155 R HN 0.796 nan 8.270 nan 0.000 0.444 156 I N -1.837 118.661 120.570 -0.120 0.000 3.191 156 I HA 0.907 5.088 4.170 0.017 0.000 0.313 156 I C 0.053 176.023 176.117 -0.245 0.000 1.193 156 I CA -0.806 60.439 61.300 -0.093 0.000 0.968 156 I CB 2.547 40.505 38.000 -0.071 0.000 1.262 156 I HN 0.711 nan 8.210 nan 0.000 0.456 157 G N 2.571 111.148 108.800 -0.371 0.000 2.549 157 G HA2 0.170 4.140 3.960 0.017 0.000 0.404 157 G HA3 0.170 4.140 3.960 0.017 0.000 0.404 157 G C -1.468 173.208 174.900 -0.374 0.000 1.292 157 G CA -0.208 44.508 45.100 -0.640 0.000 0.935 157 G HN 1.826 nan 8.290 nan 0.000 0.512 158 N N -3.433 115.131 118.700 -0.227 0.000 3.261 158 N HA 0.548 5.298 4.740 0.017 0.000 0.248 158 N C 0.429 175.903 175.510 -0.060 0.000 1.498 158 N CA 0.080 53.033 53.050 -0.163 0.000 0.884 158 N CB 0.928 39.295 38.487 -0.199 0.000 1.428 158 N HN 0.940 nan 8.380 nan 0.000 0.517 159 V N -0.030 119.853 119.914 -0.051 0.000 2.346 159 V HA -0.022 4.109 4.120 0.017 0.000 0.244 159 V C 1.435 177.547 176.094 0.029 0.000 1.037 159 V CA 1.823 64.119 62.300 -0.007 0.000 1.029 159 V CB -0.718 31.099 31.823 -0.010 0.000 0.663 159 V HN 0.736 nan 8.190 nan 0.000 0.454 160 E N -0.212 120.000 120.200 0.019 0.000 2.431 160 E HA -0.005 4.356 4.350 0.017 0.000 0.200 160 E C 1.885 178.509 176.600 0.040 0.000 0.995 160 E CA 1.097 57.515 56.400 0.030 0.000 0.915 160 E CB 0.286 29.995 29.700 0.016 0.000 0.930 160 E HN 0.760 nan 8.360 nan 0.000 0.496 161 T N -1.758 112.824 114.554 0.047 0.000 2.964 161 T HA 0.091 4.451 4.350 0.017 0.000 0.250 161 T C 0.408 175.178 174.700 0.117 0.000 0.982 161 T CA -0.532 61.604 62.100 0.061 0.000 0.959 161 T CB -0.330 68.560 68.868 0.037 0.000 1.141 161 T HN -0.002 nan 8.240 nan 0.000 0.494 162 F N 4.641 124.579 119.950 -0.020 0.000 2.538 162 F HA 0.374 4.912 4.527 0.018 0.000 0.382 162 F C 1.185 177.015 175.800 0.050 0.000 1.069 162 F CA -0.547 57.477 58.000 0.040 0.000 1.138 162 F CB 0.577 39.603 39.000 0.044 0.000 1.068 162 F HN 0.275 nan 8.300 nan 0.000 0.556 163 S N 2.368 117.885 115.700 -0.306 0.000 2.666 163 S HA 0.262 4.742 4.470 0.017 0.000 0.239 163 S C 0.034 174.423 174.600 -0.352 0.000 1.031 163 S CA -0.440 57.614 58.200 -0.245 0.000 1.015 163 S CB 0.019 63.161 63.200 -0.097 0.000 0.981 163 S HN 0.678 nan 8.310 nan 0.000 0.547 164 E N 0.389 120.235 120.200 -0.589 0.000 2.321 164 E HA 0.582 4.942 4.350 0.017 0.000 0.278 164 E C -1.872 174.430 176.600 -0.497 0.000 0.902 164 E CA -0.686 55.449 56.400 -0.441 0.000 0.758 164 E CB 1.740 31.274 29.700 -0.276 0.000 1.213 164 E HN 0.322 nan 8.360 nan 0.000 0.426 165 I N 3.850 124.245 120.570 -0.292 0.000 2.406 165 I HA 0.475 4.656 4.170 0.017 0.000 0.290 165 I C -0.057 175.932 176.117 -0.214 0.000 0.999 165 I CA -0.626 60.598 61.300 -0.127 0.000 1.124 165 I CB 1.571 39.663 38.000 0.154 0.000 1.289 165 I HN 0.354 nan 8.210 nan 0.000 0.441 166 R N 4.408 124.786 120.500 -0.203 0.000 2.828 166 R HA 0.515 4.866 4.340 0.017 0.000 0.264 166 R C 0.763 176.944 176.300 -0.198 0.000 1.022 166 R CA -0.896 55.074 56.100 -0.216 0.000 1.021 166 R CB 1.717 31.908 30.300 -0.181 0.000 1.163 166 R HN 0.514 nan 8.270 nan 0.000 0.494 167 R N 0.814 121.211 120.500 -0.171 0.000 2.159 167 R HA -0.126 4.224 4.340 0.017 0.000 0.237 167 R C 1.969 178.217 176.300 -0.087 0.000 1.131 167 R CA 1.653 57.686 56.100 -0.112 0.000 0.982 167 R CB -0.364 29.880 30.300 -0.094 0.000 0.868 167 R HN 0.605 nan 8.270 nan 0.000 0.453 168 I N -2.160 118.338 120.570 -0.121 0.000 3.059 168 I HA -0.028 4.153 4.170 0.017 0.000 0.270 168 I C 0.779 176.790 176.117 -0.177 0.000 1.238 168 I CA 0.793 62.022 61.300 -0.120 0.000 1.478 168 I CB -0.161 37.764 38.000 -0.125 0.000 1.097 168 I HN -0.171 nan 8.210 nan 0.000 0.455 169 D N 2.357 122.586 120.400 -0.285 0.000 2.149 169 D HA -0.194 4.456 4.640 0.017 0.000 0.194 169 D C 1.341 177.315 176.300 -0.543 0.000 1.001 169 D CA 1.877 55.561 54.000 -0.527 0.000 0.849 169 D CB -0.279 40.030 40.800 -0.819 0.000 0.939 169 D HN 0.527 nan 8.370 nan 0.000 0.449 170 F N 0.116 120.131 119.950 0.109 0.000 2.647 170 F HA 0.442 4.980 4.527 0.018 0.000 0.300 170 F C 0.770 176.629 175.800 0.097 0.000 1.106 170 F CA -0.855 57.237 58.000 0.153 0.000 1.313 170 F CB -0.419 38.636 39.000 0.092 0.000 1.007 170 F HN -0.218 nan 8.300 nan 0.000 0.536 171 A N 0.261 123.165 122.820 0.141 0.000 2.540 171 A HA 0.424 4.754 4.320 0.017 0.000 0.239 171 A C 1.595 179.243 177.584 0.107 0.000 1.061 171 A CA 0.982 53.074 52.037 0.091 0.000 0.758 171 A CB -0.539 18.475 19.000 0.022 0.000 0.991 171 A HN 1.030 nan 8.150 nan 0.000 0.502 172 G N 0.930 109.783 108.800 0.087 0.000 2.268 172 G HA2 -0.201 3.769 3.960 0.017 0.000 0.240 172 G HA3 -0.201 3.769 3.960 0.017 0.000 0.240 172 G C 0.170 175.122 174.900 0.087 0.000 1.010 172 G CA 0.224 45.372 45.100 0.081 0.000 0.618 172 G HN 0.853 nan 8.290 nan 0.000 0.516 173 L N 2.078 123.369 121.223 0.114 0.000 2.290 173 L HA 0.472 4.823 4.340 0.017 0.000 0.284 173 L C 1.932 178.821 176.870 0.031 0.000 1.078 173 L CA 0.331 55.213 54.840 0.071 0.000 0.815 173 L CB 1.380 43.487 42.059 0.079 0.000 1.162 173 L HN 0.441 nan 8.230 nan 0.000 0.435 174 T N -2.219 112.339 114.554 0.007 0.000 3.071 174 T HA 0.146 4.506 4.350 0.017 0.000 0.239 174 T C 0.702 175.382 174.700 -0.033 0.000 0.997 174 T CA -0.081 62.015 62.100 -0.007 0.000 1.134 174 T CB 0.420 69.288 68.868 0.001 0.000 0.928 174 T HN 0.406 nan 8.240 nan 0.000 0.453 175 S N 0.557 116.237 115.700 -0.033 0.000 2.547 175 S HA 0.771 5.252 4.470 0.017 0.000 0.281 175 S C -1.324 173.252 174.600 -0.041 0.000 1.118 175 S CA -0.824 57.348 58.200 -0.045 0.000 0.947 175 S CB 1.824 65.014 63.200 -0.016 0.000 1.053 175 S HN 0.385 nan 8.310 nan 0.000 0.482 176 L N 2.547 123.737 121.223 -0.055 0.000 2.422 176 L HA 0.533 4.884 4.340 0.017 0.000 0.264 176 L C 0.409 177.314 176.870 0.059 0.000 0.984 176 L CA -0.829 53.986 54.840 -0.042 0.000 0.819 176 L CB 1.962 43.945 42.059 -0.126 0.000 1.330 176 L HN 0.518 nan 8.230 nan 0.000 0.410 177 N N 0.361 119.118 118.700 0.095 0.000 2.290 177 N HA 0.033 4.783 4.740 0.017 0.000 0.179 177 N C -0.184 175.390 175.510 0.107 0.000 1.016 177 N CA 0.878 54.039 53.050 0.186 0.000 0.871 177 N CB 0.572 39.102 38.487 0.072 0.000 0.987 177 N HN 0.556 nan 8.380 nan 0.000 0.431 178 E N 0.088 120.282 120.200 -0.010 0.000 2.290 178 E HA 0.321 4.681 4.350 0.017 0.000 0.274 178 E C -1.789 174.696 176.600 -0.192 0.000 0.889 178 E CA -0.559 55.781 56.400 -0.101 0.000 0.760 178 E CB 1.951 31.593 29.700 -0.097 0.000 1.206 178 E HN -0.116 nan 8.360 nan 0.000 0.419 179 L N 3.643 124.716 121.223 -0.249 0.000 2.404 179 L HA 0.443 4.793 4.340 0.017 0.000 0.272 179 L C -1.272 175.437 176.870 -0.268 0.000 0.980 179 L CA -0.234 54.443 54.840 -0.272 0.000 0.836 179 L CB 1.700 43.574 42.059 -0.308 0.000 1.238 179 L HN 0.555 nan 8.230 nan 0.000 0.408 180 E N 5.454 125.522 120.200 -0.220 0.000 2.176 180 E HA 0.578 4.938 4.350 0.017 0.000 0.267 180 E C -1.504 175.056 176.600 -0.066 0.000 0.893 180 E CA -0.559 55.752 56.400 -0.147 0.000 0.761 180 E CB 1.330 30.959 29.700 -0.118 0.000 1.133 180 E HN 0.707 nan 8.360 nan 0.000 0.409 181 I N 4.714 125.295 120.570 0.017 0.000 2.439 181 I HA 0.259 4.440 4.170 0.017 0.000 0.283 181 I C -0.384 175.830 176.117 0.162 0.000 1.023 181 I CA -0.741 60.599 61.300 0.066 0.000 1.100 181 I CB 1.675 39.757 38.000 0.136 0.000 1.238 181 I HN 0.353 nan 8.210 nan 0.000 0.445 182 K N 5.814 126.228 120.400 0.023 0.000 2.268 182 K HA 0.658 4.989 4.320 0.017 0.000 0.276 182 K C -0.166 176.500 176.600 0.110 0.000 1.080 182 K CA -0.206 56.060 56.287 -0.036 0.000 0.910 182 K CB 0.925 33.218 32.500 -0.346 0.000 1.163 182 K HN 0.763 nan 8.250 nan 0.000 0.465 183 A N 6.052 129.015 122.820 0.239 0.000 3.176 183 A HA 0.232 4.563 4.320 0.017 0.000 0.265 183 A C 0.508 178.226 177.584 0.223 0.000 0.936 183 A CA -0.485 51.752 52.037 0.332 0.000 1.033 183 A CB -0.065 19.172 19.000 0.394 0.000 1.158 183 A HN 0.867 nan 8.150 nan 0.000 0.485 184 L N -0.518 120.810 121.223 0.174 0.000 2.275 184 L HA -0.058 4.293 4.340 0.017 0.000 0.215 184 L C 1.595 178.542 176.870 0.128 0.000 1.119 184 L CA 1.260 56.187 54.840 0.143 0.000 0.790 184 L CB 0.076 42.201 42.059 0.111 0.000 0.919 184 L HN 0.453 nan 8.230 nan 0.000 0.443 185 S N -0.252 115.524 115.700 0.127 0.000 2.575 185 S HA 0.205 4.685 4.470 0.017 0.000 0.237 185 S C 0.261 174.913 174.600 0.087 0.000 0.975 185 S CA -0.522 57.737 58.200 0.100 0.000 0.960 185 S CB 0.052 63.300 63.200 0.081 0.000 0.822 185 S HN 0.072 nan 8.310 nan 0.000 0.472 186 L N 2.775 124.060 121.223 0.104 0.000 2.578 186 L HA 0.108 4.458 4.340 0.017 0.000 0.279 186 L C 1.089 178.011 176.870 0.086 0.000 1.227 186 L CA 0.978 55.846 54.840 0.046 0.000 0.900 186 L CB 0.353 42.454 42.059 0.071 0.000 1.144 186 L HN 0.109 nan 8.230 nan 0.000 0.496 187 R N 2.164 122.670 120.500 0.011 0.000 2.250 187 R HA 0.248 4.599 4.340 0.017 0.000 0.194 187 R C -0.221 176.135 176.300 0.094 0.000 0.927 187 R CA 0.022 56.177 56.100 0.092 0.000 1.052 187 R CB 0.336 30.657 30.300 0.034 0.000 1.055 187 R HN 0.731 nan 8.270 nan 0.000 0.537 188 N N -0.457 118.118 118.700 -0.208 0.000 2.431 188 N HA 0.076 4.826 4.740 0.017 0.000 0.275 188 N C -2.196 172.928 175.510 -0.644 0.000 1.091 188 N CA -0.651 52.131 53.050 -0.446 0.000 0.922 188 N CB 1.300 39.708 38.487 -0.131 0.000 1.666 188 N HN -0.052 nan 8.380 nan 0.000 0.484 189 Y N 2.165 121.800 120.300 -1.109 0.000 2.326 189 Y HA 0.431 4.992 4.550 0.018 0.000 0.331 189 Y C -0.725 175.026 175.900 -0.249 0.000 0.962 189 Y CA -0.523 57.218 58.100 -0.597 0.000 1.167 189 Y CB 1.101 39.206 38.460 -0.592 0.000 1.148 189 Y HN 0.442 nan 8.280 nan 0.000 0.463 190 Q N 4.203 123.610 119.800 -0.656 0.000 2.296 190 Q HA 0.218 4.569 4.340 0.017 0.000 0.262 190 Q C 0.133 175.757 176.000 -0.627 0.000 0.981 190 Q CA -0.306 55.224 55.803 -0.453 0.000 0.905 190 Q CB 0.780 29.327 28.738 -0.318 0.000 1.186 190 Q HN 0.849 nan 8.270 nan 0.000 0.399 191 S N 3.128 118.692 115.700 -0.227 0.000 2.552 191 S HA -0.075 4.405 4.470 0.017 0.000 0.289 191 S C 0.368 174.917 174.600 -0.084 0.000 1.304 191 S CA -0.079 58.091 58.200 -0.051 0.000 1.063 191 S CB 0.784 64.025 63.200 0.068 0.000 0.848 191 S HN 0.859 nan 8.310 nan 0.000 0.499 192 Q N 0.357 120.170 119.800 0.022 0.000 2.360 192 Q HA -0.188 4.162 4.340 0.017 0.000 0.192 192 Q C 1.390 177.404 176.000 0.023 0.000 0.615 192 Q CA 0.973 56.799 55.803 0.037 0.000 1.355 192 Q CB -2.395 26.350 28.738 0.012 0.000 1.324 192 Q HN 0.832 nan 8.270 nan 0.000 0.885 193 S N 0.255 115.909 115.700 -0.077 0.000 2.359 193 S HA -0.113 4.368 4.470 0.017 0.000 0.224 193 S C 1.430 176.192 174.600 0.269 0.000 1.035 193 S CA 1.372 59.582 58.200 0.017 0.000 1.018 193 S CB -0.007 63.101 63.200 -0.153 0.000 0.876 193 S HN 0.242 nan 8.310 nan 0.000 0.448 194 L N 1.418 122.826 121.223 0.309 0.000 2.492 194 L HA 0.225 4.576 4.340 0.017 0.000 0.223 194 L C 1.985 178.900 176.870 0.075 0.000 1.132 194 L CA 1.163 56.111 54.840 0.179 0.000 0.850 194 L CB -0.789 41.356 42.059 0.143 0.000 0.966 194 L HN 0.198 nan 8.230 nan 0.000 0.454 195 K N -0.413 120.042 120.400 0.092 0.000 2.209 195 K HA -0.135 4.195 4.320 0.017 0.000 0.204 195 K C 2.108 178.725 176.600 0.028 0.000 1.048 195 K CA 1.319 57.632 56.287 0.042 0.000 0.940 195 K CB 0.203 32.730 32.500 0.045 0.000 0.729 195 K HN 0.430 nan 8.250 nan 0.000 0.451 196 S N 0.319 116.051 115.700 0.053 0.000 2.474 196 S HA -0.032 4.448 4.470 0.017 0.000 0.235 196 S C 0.896 175.512 174.600 0.026 0.000 0.997 196 S CA 0.198 58.426 58.200 0.046 0.000 0.949 196 S CB -0.443 62.801 63.200 0.074 0.000 0.766 196 S HN 0.182 nan 8.310 nan 0.000 0.517 197 I N 2.396 122.967 120.570 0.002 0.000 2.471 197 I HA 0.242 4.422 4.170 0.017 0.000 0.286 197 I C 1.696 177.779 176.117 -0.056 0.000 1.079 197 I CA -0.426 60.849 61.300 -0.041 0.000 1.398 197 I CB 0.849 38.780 38.000 -0.115 0.000 1.403 197 I HN 0.162 nan 8.210 nan 0.000 0.530 198 R N 4.009 124.479 120.500 -0.050 0.000 2.062 198 R HA -0.033 4.318 4.340 0.017 0.000 0.229 198 R C -0.448 175.800 176.300 -0.088 0.000 1.128 198 R CA 1.244 57.311 56.100 -0.055 0.000 0.960 198 R CB 0.268 30.545 30.300 -0.038 0.000 0.855 198 R HN 0.714 nan 8.270 nan 0.000 0.432 199 D N -1.121 119.210 120.400 -0.115 0.000 2.879 199 D HA 0.400 5.051 4.640 0.017 0.000 0.236 199 D C -1.265 174.903 176.300 -0.219 0.000 1.171 199 D CA -0.386 53.504 54.000 -0.184 0.000 0.868 199 D CB 2.615 43.286 40.800 -0.215 0.000 1.598 199 D HN 0.035 nan 8.370 nan 0.000 0.497 200 I N 2.210 122.625 120.570 -0.258 0.000 2.529 200 I HA 0.133 4.313 4.170 0.017 0.000 0.284 200 I C 0.565 176.566 176.117 -0.195 0.000 1.088 200 I CA -0.611 60.566 61.300 -0.206 0.000 1.062 200 I CB 1.586 39.481 38.000 -0.175 0.000 1.218 200 I HN 0.529 nan 8.210 nan 0.000 0.442 201 H N 3.605 122.670 119.070 -0.009 0.000 2.389 201 H HA 0.005 4.572 4.556 0.019 0.000 0.299 201 H C 0.213 175.610 175.328 0.115 0.000 1.081 201 H CA 1.328 57.402 56.048 0.043 0.000 1.345 201 H CB 0.362 30.153 29.762 0.048 0.000 1.393 201 H HN 0.557 nan 8.280 nan 0.000 0.520 202 H N -0.526 118.562 119.070 0.030 0.000 3.181 202 H HA 0.267 4.833 4.556 0.018 0.000 0.331 202 H C -1.582 173.612 175.328 -0.222 0.000 0.988 202 H CA -0.784 55.192 56.048 -0.119 0.000 1.449 202 H CB 0.922 30.641 29.762 -0.071 0.000 1.749 202 H HN -0.006 nan 8.280 nan 0.000 0.501 203 L N 5.184 126.348 121.223 -0.098 0.000 2.287 203 L HA 0.424 4.775 4.340 0.017 0.000 0.287 203 L C -0.832 175.867 176.870 -0.285 0.000 1.022 203 L CA 0.037 54.742 54.840 -0.226 0.000 0.814 203 L CB 1.646 43.595 42.059 -0.182 0.000 1.217 203 L HN 0.579 nan 8.230 nan 0.000 0.420 204 T N 6.754 121.096 114.554 -0.355 0.000 2.772 204 T HA 0.573 4.933 4.350 0.017 0.000 0.288 204 T C -0.430 174.140 174.700 -0.217 0.000 0.994 204 T CA -0.241 61.662 62.100 -0.329 0.000 0.951 204 T CB 0.605 69.241 68.868 -0.386 0.000 0.933 204 T HN 0.428 nan 8.240 nan 0.000 0.447 205 L N 4.235 125.333 121.223 -0.210 0.000 2.325 205 L HA 0.443 4.794 4.340 0.017 0.000 0.281 205 L C 0.032 176.828 176.870 -0.123 0.000 1.004 205 L CA -0.916 53.868 54.840 -0.092 0.000 0.823 205 L CB 1.280 43.303 42.059 -0.060 0.000 1.236 205 L HN 0.603 nan 8.230 nan 0.000 0.415 206 H N 5.782 124.858 119.070 0.010 0.000 2.641 206 H HA 0.455 5.022 4.556 0.017 0.000 0.295 206 H C -0.751 174.618 175.328 0.070 0.000 1.070 206 H CA -0.354 55.715 56.048 0.035 0.000 1.257 206 H CB 1.348 31.131 29.762 0.034 0.000 1.393 206 H HN 0.360 nan 8.280 nan 0.000 0.464 207 L N 1.894 123.209 121.223 0.152 0.000 2.385 207 L HA 0.138 4.489 4.340 0.017 0.000 0.273 207 L C 1.221 178.175 176.870 0.140 0.000 0.990 207 L CA -0.492 54.438 54.840 0.150 0.000 0.821 207 L CB 2.240 44.375 42.059 0.127 0.000 1.279 207 L HN 0.522 nan 8.230 nan 0.000 0.412 208 S N 0.336 116.121 115.700 0.142 0.000 2.486 208 S HA 0.094 4.574 4.470 0.017 0.000 0.220 208 S C 0.307 174.977 174.600 0.116 0.000 1.011 208 S CA -0.189 58.085 58.200 0.123 0.000 0.921 208 S CB -0.054 63.214 63.200 0.113 0.000 0.785 208 S HN 0.729 nan 8.310 nan 0.000 0.517 209 E N 0.875 121.153 120.200 0.129 0.000 2.359 209 E HA 0.574 4.935 4.350 0.017 0.000 0.266 209 E C -0.186 176.491 176.600 0.129 0.000 0.920 209 E CA -0.574 55.895 56.400 0.115 0.000 0.788 209 E CB 1.534 31.296 29.700 0.103 0.000 1.279 209 E HN 0.123 nan 8.360 nan 0.000 0.438 210 S N 0.177 115.949 115.700 0.121 0.000 2.575 210 S HA 0.151 4.631 4.470 0.017 0.000 0.215 210 S C 1.736 176.404 174.600 0.115 0.000 0.966 210 S CA 0.193 58.492 58.200 0.164 0.000 0.911 210 S CB 0.018 63.377 63.200 0.264 0.000 0.780 210 S HN 0.616 nan 8.310 nan 0.000 0.514 211 A N 1.620 124.435 122.820 -0.009 0.000 1.940 211 A HA -0.042 4.288 4.320 0.017 0.000 0.221 211 A C 1.448 178.788 177.584 -0.406 0.000 1.190 211 A CA 1.551 53.431 52.037 -0.261 0.000 0.647 211 A CB -0.953 17.782 19.000 -0.442 0.000 0.821 211 A HN 0.665 nan 8.150 nan 0.000 0.457 212 F N -1.684 118.313 119.950 0.078 0.000 2.653 212 F HA 0.241 4.778 4.527 0.017 0.000 0.304 212 F C 1.492 177.300 175.800 0.013 0.000 1.092 212 F CA -0.304 57.728 58.000 0.053 0.000 1.279 212 F CB 0.221 39.248 39.000 0.045 0.000 1.044 212 F HN 0.162 nan 8.300 nan 0.000 0.564 213 L N 0.524 121.860 121.223 0.189 0.000 2.042 213 L HA -0.184 4.167 4.340 0.017 0.000 0.210 213 L C 2.003 179.000 176.870 0.211 0.000 1.076 213 L CA 1.957 56.903 54.840 0.178 0.000 0.749 213 L CB -0.688 41.484 42.059 0.188 0.000 0.893 213 L HN 0.198 nan 8.230 nan 0.000 0.432 214 L N -0.982 120.376 121.223 0.226 0.000 2.046 214 L HA -0.219 4.131 4.340 0.017 0.000 0.208 214 L C 2.484 179.446 176.870 0.154 0.000 1.077 214 L CA 1.457 56.402 54.840 0.175 0.000 0.747 214 L CB -0.563 41.526 42.059 0.050 0.000 0.896 214 L HN 0.346 nan 8.230 nan 0.000 0.432 215 E N 0.205 120.501 120.200 0.160 0.000 2.072 215 E HA -0.189 4.172 4.350 0.017 0.000 0.191 215 E C 2.296 178.986 176.600 0.150 0.000 0.985 215 E CA 1.118 57.644 56.400 0.210 0.000 0.801 215 E CB -0.032 29.899 29.700 0.384 0.000 0.750 215 E HN 0.464 nan 8.360 nan 0.000 0.452 216 I N 0.298 120.833 120.570 -0.059 0.000 2.202 216 I HA -0.237 3.944 4.170 0.017 0.000 0.242 216 I C 2.224 178.343 176.117 0.003 0.000 1.091 216 I CA 0.769 61.927 61.300 -0.237 0.000 1.368 216 I CB -0.194 37.588 38.000 -0.363 0.000 1.058 216 I HN 0.065 nan 8.210 nan 0.000 0.410 217 F N 1.830 121.744 119.950 -0.060 0.000 2.091 217 F HA -0.310 4.227 4.527 0.016 0.000 0.299 217 F C 2.513 178.284 175.800 -0.048 0.000 1.103 217 F CA 1.618 59.594 58.000 -0.040 0.000 1.228 217 F CB -0.407 38.591 39.000 -0.002 0.000 0.984 217 F HN 0.029 nan 8.300 nan 0.000 0.477 218 A N -0.551 122.316 122.820 0.077 0.000 1.978 218 A HA -0.202 4.128 4.320 0.017 0.000 0.220 218 A C 1.757 179.314 177.584 -0.045 0.000 1.170 218 A CA 2.007 54.028 52.037 -0.027 0.000 0.636 218 A CB -0.796 18.214 19.000 0.016 0.000 0.810 218 A HN 0.432 nan 8.150 nan 0.000 0.448 219 D N -0.566 119.836 120.400 0.004 0.000 2.349 219 D HA 0.049 4.699 4.640 0.017 0.000 0.215 219 D C 1.358 177.630 176.300 -0.047 0.000 1.016 219 D CA 0.869 54.885 54.000 0.025 0.000 0.870 219 D CB 0.013 40.905 40.800 0.154 0.000 0.917 219 D HN 0.779 nan 8.370 nan 0.000 0.524 220 I N -3.137 117.347 120.570 -0.144 0.000 4.081 220 I HA 0.187 4.368 4.170 0.017 0.000 0.333 220 I C 1.341 177.313 176.117 -0.241 0.000 1.413 220 I CA -0.178 61.011 61.300 -0.186 0.000 1.110 220 I CB 0.019 37.895 38.000 -0.207 0.000 1.082 220 I HN -0.229 nan 8.210 nan 0.000 0.402 221 L N 0.712 121.783 121.223 -0.255 0.000 2.187 221 L HA -0.090 4.261 4.340 0.017 0.000 0.213 221 L C 2.139 178.938 176.870 -0.118 0.000 1.100 221 L CA 1.330 56.036 54.840 -0.224 0.000 0.765 221 L CB -0.355 41.611 42.059 -0.154 0.000 0.904 221 L HN 0.328 nan 8.230 nan 0.000 0.437 222 S N -1.558 114.087 115.700 -0.091 0.000 2.517 222 S HA 0.001 4.482 4.470 0.017 0.000 0.214 222 S C 1.872 176.426 174.600 -0.077 0.000 0.991 222 S CA 0.648 58.810 58.200 -0.062 0.000 0.906 222 S CB 0.382 63.558 63.200 -0.040 0.000 0.789 222 S HN 0.570 nan 8.310 nan 0.000 0.513 223 S N 0.093 115.731 115.700 -0.103 0.000 2.641 223 S HA 0.221 4.701 4.470 0.017 0.000 0.239 223 S C 0.521 175.037 174.600 -0.139 0.000 1.081 223 S CA -0.203 57.925 58.200 -0.119 0.000 0.904 223 S CB -0.329 62.798 63.200 -0.121 0.000 0.803 223 S HN 0.098 nan 8.310 nan 0.000 0.510 224 V N 3.621 123.453 119.914 -0.136 0.000 2.470 224 V HA 0.310 4.441 4.120 0.017 0.000 0.276 224 V C 1.168 177.220 176.094 -0.069 0.000 1.040 224 V CA -0.059 62.171 62.300 -0.116 0.000 1.008 224 V CB 0.780 32.527 31.823 -0.128 0.000 0.990 224 V HN 0.423 nan 8.190 nan 0.000 0.477 225 R N 3.242 123.724 120.500 -0.029 0.000 2.189 225 R HA 0.191 4.541 4.340 0.017 0.000 0.203 225 R C 0.079 176.448 176.300 0.114 0.000 1.012 225 R CA 0.420 56.538 56.100 0.030 0.000 1.015 225 R CB 0.433 30.764 30.300 0.051 0.000 0.938 225 R HN 0.776 nan 8.270 nan 0.000 0.472 226 Y N 0.685 120.957 120.300 -0.047 0.000 2.307 226 Y HA 0.335 4.896 4.550 0.019 0.000 0.323 226 Y C -1.863 174.013 175.900 -0.041 0.000 1.100 226 Y CA -1.580 56.472 58.100 -0.080 0.000 1.140 226 Y CB 1.294 39.658 38.460 -0.160 0.000 1.159 226 Y HN -0.150 nan 8.280 nan 0.000 0.436 227 L N 6.525 127.800 121.223 0.086 0.000 2.296 227 L HA 0.500 4.851 4.340 0.017 0.000 0.286 227 L C -1.000 175.741 176.870 -0.215 0.000 1.023 227 L CA -0.120 54.648 54.840 -0.121 0.000 0.812 227 L CB 1.633 43.652 42.059 -0.067 0.000 1.223 227 L HN 0.763 nan 8.230 nan 0.000 0.421 228 E N 5.417 125.423 120.200 -0.323 0.000 2.185 228 E HA 0.454 4.814 4.350 0.017 0.000 0.261 228 E C -1.787 174.646 176.600 -0.278 0.000 0.879 228 E CA -0.570 55.656 56.400 -0.289 0.000 0.756 228 E CB 1.113 30.653 29.700 -0.267 0.000 1.152 228 E HN 0.711 nan 8.360 nan 0.000 0.416 229 L N 4.997 126.030 121.223 -0.316 0.000 2.287 229 L HA 0.558 4.908 4.340 0.017 0.000 0.287 229 L C 0.059 176.851 176.870 -0.130 0.000 1.022 229 L CA -0.676 54.028 54.840 -0.227 0.000 0.814 229 L CB 1.405 43.318 42.059 -0.243 0.000 1.217 229 L HN 0.440 nan 8.230 nan 0.000 0.420 230 R N 2.753 123.168 120.500 -0.142 0.000 2.514 230 R HA 0.297 4.647 4.340 0.017 0.000 0.301 230 R C -0.498 175.825 176.300 0.038 0.000 0.962 230 R CA -0.797 55.257 56.100 -0.078 0.000 0.882 230 R CB 1.365 31.521 30.300 -0.240 0.000 1.143 230 R HN 0.611 nan 8.270 nan 0.000 0.452 231 D N 0.418 120.871 120.400 0.089 0.000 2.911 231 D HA -0.137 4.513 4.640 0.017 0.000 0.227 231 D C -0.715 175.655 176.300 0.118 0.000 1.164 231 D CA 1.396 55.465 54.000 0.114 0.000 0.782 231 D CB -1.077 39.800 40.800 0.127 0.000 1.094 231 D HN 0.543 nan 8.370 nan 0.000 0.425 232 T N 1.223 115.853 114.554 0.127 0.000 2.780 232 T HA 0.135 4.496 4.350 0.017 0.000 0.294 232 T C 0.597 175.370 174.700 0.122 0.000 0.949 232 T CA -0.594 61.583 62.100 0.128 0.000 1.074 232 T CB 1.398 70.348 68.868 0.138 0.000 0.910 232 T HN 0.050 nan 8.240 nan 0.000 0.501 233 N N 3.576 122.339 118.700 0.104 0.000 2.402 233 N HA 0.120 4.870 4.740 0.017 0.000 0.252 233 N C -0.002 175.564 175.510 0.093 0.000 1.118 233 N CA -0.240 52.862 53.050 0.088 0.000 0.945 233 N CB 0.332 38.863 38.487 0.074 0.000 1.147 233 N HN 0.572 nan 8.380 nan 0.000 0.495 234 L N 2.960 124.236 121.223 0.088 0.000 2.741 234 L HA 0.262 4.613 4.340 0.017 0.000 0.237 234 L C 1.937 178.870 176.870 0.105 0.000 1.178 234 L CA -0.188 54.715 54.840 0.104 0.000 0.973 234 L CB 0.097 42.186 42.059 0.050 0.000 1.255 234 L HN 0.507 nan 8.230 nan 0.000 0.498 235 A N 0.322 123.180 122.820 0.063 0.000 1.972 235 A HA -0.160 4.170 4.320 0.017 0.000 0.219 235 A C 2.334 179.937 177.584 0.031 0.000 1.169 235 A CA 1.377 53.430 52.037 0.027 0.000 0.635 235 A CB -0.261 18.741 19.000 0.004 0.000 0.810 235 A HN 0.411 nan 8.150 nan 0.000 0.446 236 R N -2.097 118.436 120.500 0.056 0.000 2.334 236 R HA 0.197 4.548 4.340 0.017 0.000 0.216 236 R C -0.271 176.059 176.300 0.050 0.000 0.905 236 R CA -0.526 55.592 56.100 0.030 0.000 1.064 236 R CB -0.116 30.192 30.300 0.013 0.000 1.046 236 R HN 0.440 nan 8.270 nan 0.000 0.508 237 F N 1.739 121.675 119.950 -0.023 0.000 2.572 237 F HA 0.025 4.563 4.527 0.019 0.000 0.370 237 F C -0.113 175.680 175.800 -0.012 0.000 1.103 237 F CA 0.709 58.701 58.000 -0.014 0.000 1.286 237 F CB 0.558 39.560 39.000 0.004 0.000 1.105 237 F HN -0.060 nan 8.300 nan 0.000 0.583 238 Q N 6.384 125.612 119.800 -0.952 0.000 2.305 238 Q HA 0.299 4.650 4.340 0.017 0.000 0.271 238 Q C -1.631 173.860 176.000 -0.849 0.000 1.046 238 Q CA -0.910 54.505 55.803 -0.648 0.000 0.798 238 Q CB 1.650 30.206 28.738 -0.304 0.000 1.286 238 Q HN 0.707 nan 8.270 nan 0.000 0.435 239 F N 2.579 122.181 119.950 -0.580 0.000 2.382 239 F HA 0.623 5.161 4.527 0.017 0.000 0.331 239 F C -0.523 175.182 175.800 -0.158 0.000 1.121 239 F CA 0.295 58.111 58.000 -0.307 0.000 1.183 239 F CB 1.183 40.162 39.000 -0.036 0.000 1.207 239 F HN 0.537 nan 8.300 nan 0.000 0.555 240 S N 4.171 119.144 115.700 -1.212 0.000 2.543 240 S HA 0.526 5.007 4.470 0.017 0.000 0.273 240 S C -3.201 170.721 174.600 -1.131 0.000 1.152 240 S CA -1.414 56.286 58.200 -0.834 0.000 0.910 240 S CB 1.530 64.491 63.200 -0.398 0.000 1.105 240 S HN 0.387 nan 8.310 nan 0.000 0.465 241 P HA 0.159 nan 4.420 nan 0.000 0.265 241 P C -0.720 176.500 177.300 -0.133 0.000 1.187 241 P CA -0.061 62.952 63.100 -0.144 0.000 0.766 241 P CB 0.241 31.996 31.700 0.092 0.000 0.820 242 L N 5.429 126.637 121.223 -0.025 0.000 2.349 242 L HA 0.297 4.648 4.340 0.017 0.000 0.275 242 L C -1.430 175.438 176.870 -0.004 0.000 1.115 242 L CA -1.705 53.063 54.840 -0.119 0.000 0.820 242 L CB 0.365 42.215 42.059 -0.349 0.000 1.135 242 L HN 0.294 nan 8.230 nan 0.000 0.445 243 P HA 0.137 nan 4.420 nan 0.000 0.225 243 P C -0.863 176.452 177.300 0.026 0.000 1.813 243 P CA 0.018 63.129 63.100 0.017 0.000 1.013 243 P CB 0.039 31.744 31.700 0.008 0.000 1.961 244 V N -1.985 117.955 119.914 0.045 0.000 3.049 244 V HA 0.520 4.650 4.120 0.017 0.000 0.309 244 V C -0.529 175.613 176.094 0.080 0.000 1.148 244 V CA -1.125 61.203 62.300 0.047 0.000 0.990 244 V CB 2.326 34.163 31.823 0.023 0.000 1.039 244 V HN -0.073 nan 8.190 nan 0.000 0.430 245 D N 1.696 122.135 120.400 0.064 0.000 2.368 245 D HA 0.185 4.836 4.640 0.017 0.000 0.240 245 D C 0.092 176.448 176.300 0.093 0.000 1.169 245 D CA 0.191 54.233 54.000 0.070 0.000 0.906 245 D CB 1.205 42.034 40.800 0.048 0.000 1.187 245 D HN 0.923 nan 8.370 nan 0.000 0.435 246 E N 0.280 120.536 120.200 0.093 0.000 2.384 246 E HA 0.298 4.659 4.350 0.017 0.000 0.266 246 E C -1.139 175.508 176.600 0.077 0.000 1.012 246 E CA -0.258 56.204 56.400 0.102 0.000 0.901 246 E CB 0.824 30.570 29.700 0.077 0.000 0.967 246 E HN 0.121 nan 8.360 nan 0.000 0.435 247 V N 2.903 122.868 119.914 0.085 0.000 3.147 247 V HA 0.249 4.379 4.120 0.017 0.000 0.299 247 V C -1.258 174.869 176.094 0.055 0.000 1.302 247 V CA -0.660 61.674 62.300 0.056 0.000 1.015 247 V CB 2.668 34.515 31.823 0.041 0.000 1.086 247 V HN 0.730 nan 8.190 nan 0.000 0.437 248 S N 3.406 119.127 115.700 0.035 0.000 2.422 248 S HA 0.311 4.792 4.470 0.017 0.000 0.283 248 S C 0.017 174.629 174.600 0.021 0.000 1.163 248 S CA 0.234 58.453 58.200 0.030 0.000 1.054 248 S CB 0.884 64.096 63.200 0.020 0.000 0.967 248 S HN 0.934 nan 8.310 nan 0.000 0.499 249 S N 4.398 120.115 115.700 0.029 0.000 2.545 249 S HA 0.297 4.778 4.470 0.017 0.000 0.275 249 S C -1.483 173.117 174.600 -0.001 0.000 1.299 249 S CA -1.508 56.695 58.200 0.005 0.000 1.048 249 S CB 0.576 63.785 63.200 0.015 0.000 0.938 249 S HN 0.510 nan 8.310 nan 0.000 0.496 250 P HA 0.096 nan 4.420 nan 0.000 0.257 250 P C 0.236 177.530 177.300 -0.009 0.000 1.281 250 P CA -0.027 63.064 63.100 -0.016 0.000 0.826 250 P CB -0.022 31.657 31.700 -0.035 0.000 1.237 251 M N 1.060 120.655 119.600 -0.009 0.000 2.268 251 M HA 0.031 4.521 4.480 0.017 0.000 0.349 251 M C 0.892 177.207 176.300 0.024 0.000 1.485 251 M CA 0.412 55.717 55.300 0.009 0.000 1.094 251 M CB 0.624 33.230 32.600 0.010 0.000 1.843 251 M HN -0.266 nan 8.290 nan 0.000 0.460 252 K N 3.554 123.964 120.400 0.017 0.000 2.365 252 K HA 0.204 4.534 4.320 0.017 0.000 0.195 252 K C 0.005 176.586 176.600 -0.032 0.000 1.079 252 K CA 0.518 56.802 56.287 -0.005 0.000 0.979 252 K CB 0.588 33.075 32.500 -0.021 0.000 0.929 252 K HN 0.559 nan 8.250 nan 0.000 0.523 253 K N 0.894 121.273 120.400 -0.035 0.000 2.422 253 K HA 0.372 4.702 4.320 0.017 0.000 0.251 253 K C -1.803 174.819 176.600 0.037 0.000 0.933 253 K CA -0.732 55.494 56.287 -0.102 0.000 0.798 253 K CB 1.488 33.739 32.500 -0.415 0.000 1.238 253 K HN -0.116 nan 8.250 nan 0.000 0.428 254 L N 2.831 124.050 121.223 -0.007 0.000 2.438 254 L HA 0.747 5.097 4.340 0.017 0.000 0.270 254 L C -1.802 174.986 176.870 -0.137 0.000 0.972 254 L CA -0.126 54.693 54.840 -0.034 0.000 0.831 254 L CB 1.867 43.916 42.059 -0.018 0.000 1.273 254 L HN 0.751 nan 8.230 nan 0.000 0.405 255 A N 4.116 126.813 122.820 -0.205 0.000 2.414 255 A HA 0.853 5.184 4.320 0.017 0.000 0.306 255 A C -1.722 175.587 177.584 -0.458 0.000 1.054 255 A CA -0.334 51.575 52.037 -0.213 0.000 0.724 255 A CB 0.934 19.959 19.000 0.041 0.000 1.267 255 A HN 0.499 nan 8.150 nan 0.000 0.418 256 F N 1.961 121.798 119.950 -0.188 0.000 2.467 256 F HA 0.624 5.160 4.527 0.016 0.000 0.336 256 F C 0.519 176.330 175.800 0.018 0.000 1.123 256 F CA -0.458 57.501 58.000 -0.068 0.000 0.964 256 F CB 2.092 41.086 39.000 -0.010 0.000 1.136 256 F HN 0.423 nan 8.300 nan 0.000 0.447 257 R N 1.881 122.482 120.500 0.169 0.000 2.476 257 R HA 0.505 4.855 4.340 0.017 0.000 0.305 257 R C 0.412 176.798 176.300 0.142 0.000 0.965 257 R CA -0.647 55.536 56.100 0.138 0.000 0.867 257 R CB 1.340 31.683 30.300 0.072 0.000 1.176 257 R HN 0.894 nan 8.270 nan 0.000 0.447 258 G N 1.969 110.860 108.800 0.153 0.000 2.221 258 G HA2 -0.292 3.679 3.960 0.017 0.000 0.265 258 G HA3 -0.292 3.679 3.960 0.017 0.000 0.265 258 G C -0.166 174.819 174.900 0.142 0.000 1.041 258 G CA 0.471 45.651 45.100 0.134 0.000 0.807 258 G HN 0.527 nan 8.290 nan 0.000 0.502 259 S N -1.566 114.240 115.700 0.177 0.000 2.652 259 S HA 0.688 5.169 4.470 0.017 0.000 0.270 259 S C 0.351 175.018 174.600 0.112 0.000 1.243 259 S CA -0.530 57.769 58.200 0.166 0.000 0.999 259 S CB 2.445 65.783 63.200 0.230 0.000 0.973 259 S HN 0.676 nan 8.310 nan 0.000 0.544 260 V N 3.069 123.034 119.914 0.085 0.000 2.448 260 V HA 0.502 4.633 4.120 0.017 0.000 0.295 260 V C -0.738 175.373 176.094 0.028 0.000 1.025 260 V CA -0.634 61.695 62.300 0.048 0.000 0.859 260 V CB 1.095 32.945 31.823 0.045 0.000 0.988 260 V HN 0.583 nan 8.190 nan 0.000 0.431 261 L N 3.666 124.886 121.223 -0.005 0.000 2.303 261 L HA 0.807 5.157 4.340 0.017 0.000 0.256 261 L C 0.197 177.040 176.870 -0.046 0.000 1.034 261 L CA -0.417 54.413 54.840 -0.015 0.000 0.832 261 L CB 2.231 44.274 42.059 -0.027 0.000 1.403 261 L HN 0.791 nan 8.230 nan 0.000 0.419 262 T N -3.874 110.644 114.554 -0.060 0.000 2.930 262 T HA 0.374 4.734 4.350 0.017 0.000 0.290 262 T C 0.498 175.110 174.700 -0.147 0.000 1.052 262 T CA -0.493 61.524 62.100 -0.139 0.000 1.017 262 T CB 1.861 70.621 68.868 -0.179 0.000 1.137 262 T HN 0.580 nan 8.240 nan 0.000 0.511 263 D N 0.071 120.322 120.400 -0.250 0.000 2.178 263 D HA -0.171 4.479 4.640 0.017 0.000 0.201 263 D C 1.490 177.525 176.300 -0.443 0.000 0.980 263 D CA 1.158 55.074 54.000 -0.140 0.000 0.842 263 D CB -0.243 40.505 40.800 -0.086 0.000 0.948 263 D HN 0.795 nan 8.370 nan 0.000 0.472 264 E N 0.512 120.161 120.200 -0.917 0.000 2.047 264 E HA -0.187 4.174 4.350 0.017 0.000 0.191 264 E C 1.895 178.244 176.600 -0.418 0.000 0.987 264 E CA 1.536 57.191 56.400 -1.241 0.000 0.799 264 E CB 0.009 29.124 29.700 -0.974 0.000 0.752 264 E HN 0.370 nan 8.360 nan 0.000 0.449 265 S N -0.043 115.540 115.700 -0.194 0.000 2.423 265 S HA -0.151 4.329 4.470 0.017 0.000 0.231 265 S C 1.875 176.525 174.600 0.084 0.000 1.014 265 S CA 0.653 58.866 58.200 0.022 0.000 0.965 265 S CB -0.551 62.695 63.200 0.076 0.000 0.785 265 S HN 0.400 nan 8.310 nan 0.000 0.495 266 F N 3.525 123.414 119.950 -0.102 0.000 2.146 266 F HA -0.001 4.536 4.527 0.017 0.000 0.298 266 F C 2.234 178.023 175.800 -0.018 0.000 1.096 266 F CA 1.530 59.478 58.000 -0.087 0.000 1.275 266 F CB -0.718 38.218 39.000 -0.106 0.000 1.008 266 F HN 0.326 nan 8.300 nan 0.000 0.480 267 N N 0.031 118.712 118.700 -0.032 0.000 2.166 267 N HA -0.189 4.562 4.740 0.017 0.000 0.186 267 N C 1.638 177.103 175.510 -0.075 0.000 1.019 267 N CA 1.302 54.326 53.050 -0.044 0.000 0.856 267 N CB -0.078 38.517 38.487 0.179 0.000 0.993 267 N HN 0.315 nan 8.380 nan 0.000 0.426 268 E N 1.181 121.389 120.200 0.013 0.000 2.077 268 E HA -0.127 4.233 4.350 0.017 0.000 0.193 268 E C 2.259 178.990 176.600 0.219 0.000 0.989 268 E CA 0.466 56.947 56.400 0.135 0.000 0.800 268 E CB -0.366 29.467 29.700 0.221 0.000 0.746 268 E HN 0.471 nan 8.360 nan 0.000 0.452 269 L N 0.532 121.814 121.223 0.098 0.000 2.046 269 L HA -0.179 4.171 4.340 0.017 0.000 0.208 269 L C 2.565 179.338 176.870 -0.162 0.000 1.077 269 L CA 0.827 55.609 54.840 -0.096 0.000 0.747 269 L CB -0.452 41.433 42.059 -0.290 0.000 0.896 269 L HN 0.113 nan 8.230 nan 0.000 0.432 270 L N -0.370 120.679 121.223 -0.291 0.000 2.187 270 L HA -0.240 4.111 4.340 0.017 0.000 0.213 270 L C 2.409 179.159 176.870 -0.199 0.000 1.100 270 L CA 1.237 55.924 54.840 -0.254 0.000 0.765 270 L CB -0.549 41.326 42.059 -0.308 0.000 0.904 270 L HN 0.272 nan 8.230 nan 0.000 0.437 271 K N 0.147 120.375 120.400 -0.286 0.000 2.362 271 K HA -0.091 4.239 4.320 0.017 0.000 0.200 271 K C 1.922 178.255 176.600 -0.445 0.000 1.046 271 K CA 0.807 56.758 56.287 -0.560 0.000 0.952 271 K CB -0.072 31.746 32.500 -1.136 0.000 0.753 271 K HN 0.342 nan 8.250 nan 0.000 0.466 272 L N 0.771 121.929 121.223 -0.109 0.000 2.376 272 L HA -0.090 4.260 4.340 0.017 0.000 0.219 272 L C 1.929 178.960 176.870 0.269 0.000 1.133 272 L CA 0.467 55.425 54.840 0.196 0.000 0.816 272 L CB -0.323 41.655 42.059 -0.136 0.000 0.933 272 L HN 0.175 nan 8.230 nan 0.000 0.449 273 L N 0.225 121.505 121.223 0.094 0.000 2.187 273 L HA -0.210 4.141 4.340 0.017 0.000 0.213 273 L C 2.810 179.733 176.870 0.089 0.000 1.100 273 L CA 1.173 56.079 54.840 0.109 0.000 0.765 273 L CB -0.595 41.487 42.059 0.039 0.000 0.904 273 L HN 0.424 nan 8.230 nan 0.000 0.437 274 R N -0.609 119.887 120.500 -0.007 0.000 2.193 274 R HA -0.199 4.152 4.340 0.017 0.000 0.229 274 R C 1.490 177.692 176.300 -0.163 0.000 1.110 274 R CA 1.594 57.612 56.100 -0.136 0.000 0.988 274 R CB -0.608 29.522 30.300 -0.283 0.000 0.871 274 R HN 0.347 nan 8.270 nan 0.000 0.458 275 Y N 1.459 121.874 120.300 0.193 0.000 2.478 275 Y HA 0.275 4.835 4.550 0.017 0.000 0.261 275 Y C 1.228 177.220 175.900 0.152 0.000 1.127 275 Y CA -0.325 57.899 58.100 0.206 0.000 1.288 275 Y CB 0.613 39.278 38.460 0.340 0.000 1.084 275 Y HN 0.080 nan 8.280 nan 0.000 0.530 276 I N -2.346 118.395 120.570 0.284 0.000 2.905 276 I HA 0.240 4.421 4.170 0.017 0.000 0.297 276 I C 0.031 176.219 176.117 0.119 0.000 1.358 276 I CA -0.218 61.194 61.300 0.186 0.000 0.975 276 I CB 0.104 38.242 38.000 0.229 0.000 1.857 276 I HN 0.024 nan 8.210 nan 0.000 0.612 277 L N 0.990 122.264 121.223 0.084 0.000 2.261 277 L HA -0.045 4.305 4.340 0.017 0.000 0.216 277 L C 1.778 178.675 176.870 0.045 0.000 1.114 277 L CA 1.100 55.972 54.840 0.054 0.000 0.777 277 L CB -0.314 41.766 42.059 0.036 0.000 0.910 277 L HN 0.547 nan 8.230 nan 0.000 0.440 278 E N 0.010 120.236 120.200 0.045 0.000 2.463 278 E HA 0.137 4.497 4.350 0.017 0.000 0.193 278 E C 0.651 177.270 176.600 0.032 0.000 1.041 278 E CA -0.144 56.275 56.400 0.032 0.000 0.879 278 E CB 0.297 30.011 29.700 0.023 0.000 0.997 278 E HN 0.359 nan 8.360 nan 0.000 0.478 279 L N 2.407 123.659 121.223 0.049 0.000 2.559 279 L HA -0.069 4.281 4.340 0.017 0.000 0.274 279 L C 1.075 177.965 176.870 0.034 0.000 1.205 279 L CA 0.658 55.528 54.840 0.049 0.000 0.907 279 L CB 0.448 42.556 42.059 0.080 0.000 1.153 279 L HN 0.076 nan 8.230 nan 0.000 0.490 280 S N 2.058 117.765 115.700 0.012 0.000 2.589 280 S HA 0.158 4.638 4.470 0.017 0.000 0.235 280 S C 0.215 174.812 174.600 -0.005 0.000 1.051 280 S CA -0.471 57.731 58.200 0.003 0.000 0.978 280 S CB 0.603 63.794 63.200 -0.014 0.000 0.929 280 S HN 0.724 nan 8.310 nan 0.000 0.523 281 E N 0.549 120.737 120.200 -0.021 0.000 2.308 281 E HA 0.617 4.978 4.350 0.017 0.000 0.275 281 E C -1.959 174.625 176.600 -0.026 0.000 0.890 281 E CA -0.751 55.629 56.400 -0.035 0.000 0.754 281 E CB 2.383 32.025 29.700 -0.098 0.000 1.207 281 E HN 0.110 nan 8.360 nan 0.000 0.426 282 V N 3.322 123.242 119.914 0.010 0.000 2.709 282 V HA 0.463 4.593 4.120 0.017 0.000 0.308 282 V C -0.801 175.282 176.094 -0.020 0.000 1.062 282 V CA -0.775 61.523 62.300 -0.004 0.000 0.901 282 V CB 1.962 33.844 31.823 0.099 0.000 1.003 282 V HN 0.724 nan 8.190 nan 0.000 0.425 283 E N 3.136 123.253 120.200 -0.139 0.000 2.293 283 E HA 0.643 5.003 4.350 0.017 0.000 0.270 283 E C -1.927 174.556 176.600 -0.194 0.000 0.879 283 E CA -0.577 55.787 56.400 -0.059 0.000 0.756 283 E CB 2.937 32.626 29.700 -0.018 0.000 1.208 283 E HN 0.526 nan 8.360 nan 0.000 0.428 284 F N 1.530 121.589 119.950 0.182 0.000 2.577 284 F HA 0.284 4.821 4.527 0.017 0.000 0.344 284 F C -0.575 175.298 175.800 0.122 0.000 1.145 284 F CA -0.856 57.254 58.000 0.184 0.000 0.996 284 F CB 1.446 40.514 39.000 0.113 0.000 1.248 284 F HN 0.192 nan 8.300 nan 0.000 0.447 285 D N 3.310 123.865 120.400 0.259 0.000 2.278 285 D HA 0.239 4.890 4.640 0.017 0.000 0.245 285 D C -0.094 176.304 176.300 0.165 0.000 1.052 285 D CA -0.123 53.983 54.000 0.177 0.000 0.834 285 D CB 1.306 42.183 40.800 0.129 0.000 1.194 285 D HN 0.491 nan 8.370 nan 0.000 0.481 286 D N 0.603 121.083 120.400 0.134 0.000 2.708 286 D HA -0.181 4.470 4.640 0.017 0.000 0.236 286 D C -0.277 176.102 176.300 0.132 0.000 1.146 286 D CA 0.624 54.695 54.000 0.118 0.000 0.662 286 D CB -1.174 39.688 40.800 0.103 0.000 1.059 286 D HN 0.285 nan 8.370 nan 0.000 0.428 287 C N -0.242 119.143 119.300 0.142 0.000 2.325 287 C HA 0.634 5.104 4.460 0.017 0.000 0.370 287 C C 0.992 176.033 174.990 0.085 0.000 1.217 287 C CA -0.270 58.824 59.018 0.127 0.000 2.254 287 C CB 1.908 29.739 27.740 0.152 0.000 2.282 287 C HN 0.254 nan 8.230 nan 0.000 0.564 288 T N 2.013 116.598 114.554 0.051 0.000 2.848 288 T HA 0.543 4.903 4.350 0.017 0.000 0.285 288 T C -1.135 173.533 174.700 -0.054 0.000 0.995 288 T CA -0.240 61.861 62.100 0.000 0.000 0.970 288 T CB 1.269 70.147 68.868 0.017 0.000 0.976 288 T HN 0.447 nan 8.240 nan 0.000 0.441 289 L N 4.306 125.475 121.223 -0.089 0.000 2.319 289 L HA 0.543 4.894 4.340 0.017 0.000 0.281 289 L C -0.799 176.070 176.870 -0.002 0.000 1.005 289 L CA -0.453 54.355 54.840 -0.053 0.000 0.828 289 L CB 0.994 43.014 42.059 -0.066 0.000 1.227 289 L HN 0.478 nan 8.230 nan 0.000 0.415 290 N N 3.600 122.266 118.700 -0.057 0.000 2.438 290 N HA 0.451 5.202 4.740 0.017 0.000 0.282 290 N C -0.186 175.151 175.510 -0.289 0.000 1.037 290 N CA -0.282 52.697 53.050 -0.119 0.000 0.942 290 N CB 2.006 40.416 38.487 -0.128 0.000 1.136 290 N HN 0.824 nan 8.380 nan 0.000 0.481 291 G N 2.115 110.633 108.800 -0.469 0.000 2.356 291 G HA2 0.265 4.236 3.960 0.017 0.000 0.300 291 G HA3 0.265 4.236 3.960 0.017 0.000 0.300 291 G C 1.350 175.929 174.900 -0.534 0.000 1.107 291 G CA -0.450 44.017 45.100 -1.055 0.000 0.960 291 G HN 0.545 nan 8.290 nan 0.000 0.418 292 L N 2.617 123.590 121.223 -0.417 0.000 1.990 292 L HA -0.055 4.295 4.340 0.017 0.000 0.213 292 L C 2.503 179.271 176.870 -0.171 0.000 1.072 292 L CA 1.806 56.510 54.840 -0.227 0.000 0.755 292 L CB -0.319 41.648 42.059 -0.154 0.000 0.889 292 L HN 0.809 nan 8.230 nan 0.000 0.432 293 G N -0.802 107.904 108.800 -0.156 0.000 2.179 293 G HA2 -0.231 3.739 3.960 0.017 0.000 0.220 293 G HA3 -0.231 3.739 3.960 0.017 0.000 0.220 293 G C 0.436 175.320 174.900 -0.026 0.000 0.990 293 G CA 0.430 45.477 45.100 -0.087 0.000 0.646 293 G HN 0.556 nan 8.290 nan 0.000 0.517 294 D N -0.839 119.555 120.400 -0.010 0.000 2.510 294 D HA 0.130 4.781 4.640 0.017 0.000 0.234 294 D C 0.750 177.065 176.300 0.026 0.000 1.178 294 D CA -0.521 53.480 54.000 0.001 0.000 0.816 294 D CB -0.459 40.340 40.800 -0.002 0.000 1.143 294 D HN 0.364 nan 8.370 nan 0.000 0.526 295 F N 2.460 122.325 119.950 -0.143 0.000 2.531 295 F HA 0.157 4.694 4.527 0.017 0.000 0.340 295 F C -0.038 175.607 175.800 -0.258 0.000 1.247 295 F CA -0.245 57.645 58.000 -0.183 0.000 1.027 295 F CB -0.023 38.864 39.000 -0.188 0.000 1.241 295 F HN -0.237 nan 8.300 nan 0.000 0.622 296 N N 7.583 125.999 118.700 -0.474 0.000 2.904 296 N HA 0.324 5.075 4.740 0.017 0.000 0.257 296 N C -2.678 172.467 175.510 -0.608 0.000 1.363 296 N CA -1.714 51.000 53.050 -0.561 0.000 0.856 296 N CB 0.554 38.884 38.487 -0.262 0.000 1.166 296 N HN 0.249 nan 8.380 nan 0.000 0.499 297 P HA 0.239 nan 4.420 nan 0.000 0.282 297 P C -0.354 176.712 177.300 -0.390 0.000 1.249 297 P CA -0.362 62.362 63.100 -0.626 0.000 0.806 297 P CB 1.260 32.481 31.700 -0.799 0.000 0.984 298 S N 1.161 116.733 115.700 -0.214 0.000 2.632 298 S HA 0.122 4.602 4.470 0.017 0.000 0.267 298 S C 0.994 175.533 174.600 -0.101 0.000 1.276 298 S CA -0.408 57.711 58.200 -0.134 0.000 0.998 298 S CB 0.687 63.837 63.200 -0.085 0.000 0.953 298 S HN 0.346 nan 8.310 nan 0.000 0.547 299 E N 0.801 120.964 120.200 -0.062 0.000 2.401 299 E HA -0.052 4.308 4.350 0.017 0.000 0.199 299 E C 1.882 178.471 176.600 -0.019 0.000 1.023 299 E CA 1.014 57.396 56.400 -0.030 0.000 0.859 299 E CB -0.332 29.358 29.700 -0.016 0.000 0.780 299 E HN 0.611 nan 8.360 nan 0.000 0.523 300 S N 0.399 116.084 115.700 -0.025 0.000 2.357 300 S HA -0.138 4.343 4.470 0.017 0.000 0.221 300 S C 0.979 175.575 174.600 -0.006 0.000 1.031 300 S CA 1.272 59.465 58.200 -0.012 0.000 0.982 300 S CB -0.084 63.109 63.200 -0.011 0.000 0.853 300 S HN 0.155 nan 8.310 nan 0.000 0.458 301 D N 0.477 120.871 120.400 -0.010 0.000 2.340 301 D HA 0.173 4.824 4.640 0.017 0.000 0.220 301 D C -0.144 176.169 176.300 0.021 0.000 1.039 301 D CA 0.091 54.097 54.000 0.010 0.000 0.866 301 D CB 0.367 41.181 40.800 0.023 0.000 0.913 301 D HN 0.178 nan 8.370 nan 0.000 0.523 302 V N 1.414 121.335 119.914 0.011 0.000 2.498 302 V HA 0.150 4.281 4.120 0.017 0.000 0.279 302 V C 0.369 176.484 176.094 0.036 0.000 1.048 302 V CA -0.752 61.576 62.300 0.046 0.000 0.967 302 V CB 1.789 33.640 31.823 0.046 0.000 0.988 302 V HN -0.158 nan 8.190 nan 0.000 0.473 303 V N 5.067 125.004 119.914 0.038 0.000 2.432 303 V HA 0.249 4.379 4.120 0.017 0.000 0.271 303 V C 0.955 177.078 176.094 0.047 0.000 1.046 303 V CA 0.511 62.815 62.300 0.006 0.000 0.945 303 V CB 1.251 33.046 31.823 -0.047 0.000 0.992 303 V HN 1.096 nan 8.190 nan 0.000 0.471 304 S N 1.954 117.679 115.700 0.043 0.000 2.578 304 S HA 0.243 4.724 4.470 0.017 0.000 0.228 304 S C 0.278 174.918 174.600 0.068 0.000 1.022 304 S CA -0.344 57.897 58.200 0.068 0.000 0.967 304 S CB 0.255 63.493 63.200 0.063 0.000 0.914 304 S HN 0.753 nan 8.310 nan 0.000 0.515 305 E N 0.402 120.629 120.200 0.045 0.000 2.202 305 E HA 0.518 4.879 4.350 0.017 0.000 0.272 305 E C -0.746 175.882 176.600 0.046 0.000 0.951 305 E CA -0.694 55.733 56.400 0.046 0.000 0.813 305 E CB 1.376 31.093 29.700 0.028 0.000 1.151 305 E HN 0.176 nan 8.360 nan 0.000 0.398 306 L N 3.495 124.754 121.223 0.060 0.000 3.069 306 L HA 0.335 4.685 4.340 0.017 0.000 0.271 306 L C 0.633 177.538 176.870 0.058 0.000 1.201 306 L CA 1.054 55.934 54.840 0.066 0.000 1.015 306 L CB 0.250 42.366 42.059 0.094 0.000 1.371 306 L HN 0.951 nan 8.230 nan 0.000 0.574 307 G N 0.852 109.679 108.800 0.045 0.000 2.611 307 G HA2 -0.403 3.567 3.960 0.017 0.000 0.301 307 G HA3 -0.403 3.567 3.960 0.017 0.000 0.301 307 G C 0.767 175.692 174.900 0.042 0.000 1.233 307 G CA 0.534 45.657 45.100 0.040 0.000 0.993 307 G HN 0.325 nan 8.290 nan 0.000 0.553 308 K N 0.043 120.467 120.400 0.040 0.000 2.446 308 K HA 0.421 4.751 4.320 0.017 0.000 0.203 308 K C 0.485 177.107 176.600 0.036 0.000 1.027 308 K CA -0.145 56.163 56.287 0.034 0.000 1.166 308 K CB 0.895 33.410 32.500 0.026 0.000 0.869 308 K HN 0.286 nan 8.250 nan 0.000 0.504 309 V N 3.386 123.329 119.914 0.050 0.000 2.493 309 V HA -0.080 4.050 4.120 0.017 0.000 0.292 309 V C 1.271 177.395 176.094 0.050 0.000 1.016 309 V CA 0.777 63.110 62.300 0.055 0.000 1.097 309 V CB 0.350 32.222 31.823 0.083 0.000 0.947 309 V HN 0.472 nan 8.190 nan 0.000 0.479 310 E N 2.389 122.610 120.200 0.034 0.000 2.572 310 E HA 0.169 4.530 4.350 0.017 0.000 0.220 310 E C 0.139 176.755 176.600 0.027 0.000 0.945 310 E CA -0.202 56.214 56.400 0.028 0.000 1.070 310 E CB 0.786 30.493 29.700 0.011 0.000 1.090 310 E HN 0.579 nan 8.360 nan 0.000 0.506 311 T N 1.286 115.856 114.554 0.027 0.000 2.879 311 T HA 0.463 4.823 4.350 0.017 0.000 0.290 311 T C -1.094 173.642 174.700 0.060 0.000 0.993 311 T CA -0.531 61.584 62.100 0.025 0.000 0.975 311 T CB 2.243 71.098 68.868 -0.022 0.000 0.981 311 T HN -0.054 nan 8.240 nan 0.000 0.439 312 V N 3.413 123.382 119.914 0.092 0.000 2.531 312 V HA 0.609 4.740 4.120 0.017 0.000 0.301 312 V C -0.234 175.944 176.094 0.141 0.000 1.034 312 V CA -0.640 61.748 62.300 0.145 0.000 0.865 312 V CB 2.118 34.047 31.823 0.178 0.000 0.995 312 V HN 0.983 nan 8.190 nan 0.000 0.424 313 T N 6.480 121.128 114.554 0.157 0.000 2.847 313 T HA 0.659 5.020 4.350 0.017 0.000 0.291 313 T C -0.514 174.304 174.700 0.196 0.000 0.998 313 T CA -0.135 62.048 62.100 0.139 0.000 0.967 313 T CB 0.844 69.761 68.868 0.082 0.000 0.954 313 T HN 0.389 nan 8.240 nan 0.000 0.441 314 I N 3.605 124.275 120.570 0.167 0.000 2.436 314 I HA 0.536 4.716 4.170 0.017 0.000 0.289 314 I C -0.017 176.167 176.117 0.112 0.000 1.010 314 I CA -0.863 60.540 61.300 0.172 0.000 1.098 314 I CB 1.741 39.805 38.000 0.107 0.000 1.266 314 I HN 0.305 nan 8.210 nan 0.000 0.434 315 R N 5.371 125.943 120.500 0.120 0.000 2.575 315 R HA 0.557 4.907 4.340 0.017 0.000 0.293 315 R C -0.698 175.651 176.300 0.082 0.000 0.983 315 R CA -1.088 55.064 56.100 0.087 0.000 0.887 315 R CB 1.942 32.293 30.300 0.086 0.000 1.184 315 R HN 0.518 nan 8.270 nan 0.000 0.445 316 R N 1.109 121.644 120.500 0.059 0.000 3.188 316 R HA -0.209 4.142 4.340 0.017 0.000 0.247 316 R C -0.623 175.719 176.300 0.070 0.000 0.918 316 R CA 0.173 56.306 56.100 0.056 0.000 0.629 316 R CB -1.342 28.992 30.300 0.057 0.000 1.087 316 R HN 0.354 nan 8.270 nan 0.000 0.462 317 L N 1.150 122.404 121.223 0.052 0.000 2.276 317 L HA 0.322 4.672 4.340 0.017 0.000 0.286 317 L C -0.012 176.913 176.870 0.091 0.000 1.061 317 L CA -0.441 54.426 54.840 0.046 0.000 0.807 317 L CB 0.804 42.848 42.059 -0.025 0.000 1.177 317 L HN 0.194 nan 8.230 nan 0.000 0.429 318 H N 6.367 125.431 119.070 -0.009 0.000 2.541 318 H HA 0.480 5.047 4.556 0.017 0.000 0.316 318 H C -1.176 174.158 175.328 0.010 0.000 1.043 318 H CA -1.097 54.952 56.048 0.001 0.000 1.232 318 H CB 0.654 30.427 29.762 0.018 0.000 1.406 318 H HN 0.498 nan 8.280 nan 0.000 0.469 319 I N 9.045 129.626 120.570 0.018 0.000 2.388 319 I HA 0.177 4.358 4.170 0.017 0.000 0.281 319 I C -1.714 174.363 176.117 -0.065 0.000 1.046 319 I CA -2.301 58.959 61.300 -0.066 0.000 1.187 319 I CB 0.803 38.830 38.000 0.044 0.000 1.351 319 I HN 0.538 nan 8.210 nan 0.000 0.472 320 P HA -0.144 nan 4.420 nan 0.000 0.211 320 P C -0.039 177.302 177.300 0.069 0.000 1.181 320 P CA 1.615 64.663 63.100 -0.085 0.000 0.929 320 P CB 0.287 31.892 31.700 -0.159 0.000 0.789 321 Q N -2.111 117.701 119.800 0.019 0.000 2.454 321 Q HA 0.215 4.566 4.340 0.017 0.000 0.255 321 Q C -0.206 175.827 176.000 0.054 0.000 1.034 321 Q CA -0.418 55.349 55.803 -0.060 0.000 0.736 321 Q CB 0.521 29.001 28.738 -0.429 0.000 1.210 321 Q HN 0.048 nan 8.270 nan 0.000 0.500 322 F N 1.674 121.666 119.950 0.071 0.000 2.451 322 F HA -0.178 4.359 4.527 0.018 0.000 0.299 322 F C 1.510 177.455 175.800 0.243 0.000 1.101 322 F CA 0.937 59.009 58.000 0.120 0.000 1.436 322 F CB 0.284 39.269 39.000 -0.026 0.000 1.074 322 F HN 0.644 nan 8.300 nan 0.000 0.553 323 Y N -1.646 118.792 120.300 0.230 0.000 2.578 323 Y HA 0.206 4.767 4.550 0.018 0.000 0.297 323 Y C 0.744 176.693 175.900 0.082 0.000 1.176 323 Y CA 0.265 58.441 58.100 0.128 0.000 1.315 323 Y CB -1.217 37.313 38.460 0.117 0.000 1.031 323 Y HN 0.052 nan 8.280 nan 0.000 0.524 324 L N 0.209 121.327 121.223 -0.174 0.000 2.791 324 L HA 0.291 4.642 4.340 0.017 0.000 0.239 324 L C -0.890 175.817 176.870 -0.272 0.000 1.203 324 L CA -0.231 54.463 54.840 -0.243 0.000 1.002 324 L CB -0.185 41.611 42.059 -0.438 0.000 1.295 324 L HN 0.068 nan 8.230 nan 0.000 0.504 325 F N -1.254 118.565 119.950 -0.218 0.000 2.507 325 F HA 0.408 4.945 4.527 0.018 0.000 0.327 325 F C 0.576 176.331 175.800 -0.074 0.000 1.068 325 F CA -1.288 56.608 58.000 -0.173 0.000 0.965 325 F CB 0.929 39.625 39.000 -0.507 0.000 1.192 325 F HN -0.101 nan 8.300 nan 0.000 0.476 326 Y N -1.012 119.309 120.300 0.035 0.000 2.370 326 Y HA 0.341 4.901 4.550 0.018 0.000 0.377 326 Y C 0.304 176.186 175.900 -0.030 0.000 1.371 326 Y CA -1.852 56.231 58.100 -0.028 0.000 1.756 326 Y CB -0.391 38.011 38.460 -0.098 0.000 1.693 326 Y HN 0.554 nan 8.280 nan 0.000 0.595 327 D N 0.653 120.989 120.400 -0.106 0.000 2.429 327 D HA 0.071 4.721 4.640 0.017 0.000 0.253 327 D C -0.609 175.379 176.300 -0.520 0.000 1.294 327 D CA 0.255 54.122 54.000 -0.221 0.000 1.063 327 D CB -0.759 39.998 40.800 -0.073 0.000 1.096 327 D HN 0.560 nan 8.370 nan 0.000 0.516 328 L N 3.304 124.178 121.223 -0.582 0.000 2.449 328 L HA 0.038 4.389 4.340 0.017 0.000 0.266 328 L C 1.465 178.153 176.870 -0.303 0.000 1.321 328 L CA -0.149 54.366 54.840 -0.541 0.000 1.194 328 L CB -0.274 41.556 42.059 -0.382 0.000 1.384 328 L HN 0.320 nan 8.230 nan 0.000 0.438 329 S N -0.761 114.727 115.700 -0.354 0.000 2.512 329 S HA -0.077 4.403 4.470 0.017 0.000 0.216 329 S C 1.864 176.311 174.600 -0.254 0.000 1.006 329 S CA 0.618 58.471 58.200 -0.580 0.000 0.915 329 S CB 0.310 63.161 63.200 -0.581 0.000 0.824 329 S HN 0.654 nan 8.310 nan 0.000 0.497 330 T N 1.627 116.142 114.554 -0.065 0.000 2.867 330 T HA -0.075 4.286 4.350 0.017 0.000 0.268 330 T C 1.779 176.573 174.700 0.156 0.000 1.057 330 T CA 1.797 63.936 62.100 0.065 0.000 1.136 330 T CB -0.580 68.370 68.868 0.137 0.000 0.874 330 T HN 0.400 nan 8.240 nan 0.000 0.466 331 V N -1.181 118.853 119.914 0.200 0.000 2.913 331 V HA -0.028 4.102 4.120 0.017 0.000 0.260 331 V C 2.063 178.409 176.094 0.420 0.000 1.098 331 V CA 1.143 63.605 62.300 0.270 0.000 1.121 331 V CB -1.527 30.389 31.823 0.156 0.000 0.714 331 V HN 0.431 nan 8.190 nan 0.000 0.487 332 Y N 1.781 122.148 120.300 0.111 0.000 2.200 332 Y HA -0.025 4.536 4.550 0.019 0.000 0.290 332 Y C 2.939 178.871 175.900 0.054 0.000 1.137 332 Y CA 1.423 59.560 58.100 0.061 0.000 1.163 332 Y CB -0.870 37.370 38.460 -0.366 0.000 0.988 332 Y HN 0.293 nan 8.280 nan 0.000 0.518 333 S N -0.353 115.479 115.700 0.220 0.000 2.496 333 S HA -0.001 4.480 4.470 0.017 0.000 0.224 333 S C 2.030 176.726 174.600 0.160 0.000 0.996 333 S CA 0.384 58.689 58.200 0.175 0.000 0.927 333 S CB -0.267 63.009 63.200 0.128 0.000 0.774 333 S HN 0.317 nan 8.310 nan 0.000 0.524 334 L N 0.702 122.034 121.223 0.182 0.000 2.072 334 L HA 0.066 4.417 4.340 0.017 0.000 0.205 334 L C 1.371 178.337 176.870 0.160 0.000 1.079 334 L CA 1.108 56.049 54.840 0.167 0.000 0.752 334 L CB -0.284 41.893 42.059 0.197 0.000 0.906 334 L HN 0.299 nan 8.230 nan 0.000 0.436 335 L N -0.454 120.875 121.223 0.177 0.000 2.700 335 L HA 0.060 4.411 4.340 0.017 0.000 0.234 335 L C 2.054 178.972 176.870 0.079 0.000 1.156 335 L CA -0.122 54.795 54.840 0.129 0.000 0.946 335 L CB -0.296 41.849 42.059 0.142 0.000 1.216 335 L HN 0.295 nan 8.230 nan 0.000 0.493 336 E N 1.145 121.404 120.200 0.099 0.000 2.209 336 E HA -0.228 4.132 4.350 0.017 0.000 0.196 336 E C 1.213 177.847 176.600 0.057 0.000 0.993 336 E CA 1.167 57.617 56.400 0.085 0.000 0.819 336 E CB -0.108 29.661 29.700 0.115 0.000 0.745 336 E HN 0.496 nan 8.360 nan 0.000 0.477 337 K N 0.902 121.337 120.400 0.059 0.000 2.358 337 K HA 0.194 4.525 4.320 0.017 0.000 0.197 337 K C -0.079 176.545 176.600 0.041 0.000 1.025 337 K CA -0.149 56.166 56.287 0.046 0.000 1.104 337 K CB 1.260 33.788 32.500 0.046 0.000 0.855 337 K HN -0.066 nan 8.250 nan 0.000 0.531 338 V N 2.636 122.578 119.914 0.046 0.000 2.585 338 V HA -0.021 4.109 4.120 0.017 0.000 0.296 338 V C 1.125 177.237 176.094 0.029 0.000 1.035 338 V CA 0.539 62.865 62.300 0.044 0.000 1.084 338 V CB 1.038 32.896 31.823 0.058 0.000 0.953 338 V HN 0.233 nan 8.190 nan 0.000 0.483 339 K N 3.605 124.023 120.400 0.029 0.000 2.308 339 K HA 0.262 4.593 4.320 0.017 0.000 0.197 339 K C 0.380 177.010 176.600 0.050 0.000 1.049 339 K CA 0.350 56.653 56.287 0.027 0.000 0.991 339 K CB 0.423 32.932 32.500 0.016 0.000 0.836 339 K HN 0.527 nan 8.250 nan 0.000 0.500 340 R N 0.780 121.317 120.500 0.061 0.000 2.538 340 R HA 0.493 4.844 4.340 0.017 0.000 0.292 340 R C -1.062 175.316 176.300 0.131 0.000 1.008 340 R CA -0.402 55.781 56.100 0.139 0.000 0.896 340 R CB 2.033 32.366 30.300 0.055 0.000 1.187 340 R HN -0.058 nan 8.270 nan 0.000 0.440 341 I N 1.448 122.108 120.570 0.150 0.000 2.533 341 I HA 0.353 4.533 4.170 0.017 0.000 0.290 341 I C -0.639 175.530 176.117 0.086 0.000 1.056 341 I CA -0.613 60.737 61.300 0.084 0.000 1.057 341 I CB 2.840 40.841 38.000 0.002 0.000 1.240 341 I HN 0.486 nan 8.210 nan 0.000 0.423 342 T N 5.252 119.869 114.554 0.104 0.000 2.841 342 T HA 0.497 4.858 4.350 0.017 0.000 0.285 342 T C -0.649 174.085 174.700 0.056 0.000 0.991 342 T CA -0.439 61.714 62.100 0.089 0.000 0.966 342 T CB 1.945 70.903 68.868 0.150 0.000 0.962 342 T HN 0.199 nan 8.240 nan 0.000 0.438 343 V N 3.600 123.522 119.914 0.014 0.000 2.380 343 V HA 0.368 4.498 4.120 0.017 0.000 0.272 343 V C -0.032 176.063 176.094 0.001 0.000 1.011 343 V CA -0.773 61.532 62.300 0.008 0.000 0.826 343 V CB 1.146 32.958 31.823 -0.017 0.000 1.040 343 V HN 0.855 nan 8.190 nan 0.000 0.441 344 E N 4.072 124.286 120.200 0.023 0.000 2.204 344 E HA 0.319 4.680 4.350 0.017 0.000 0.276 344 E C 0.468 177.081 176.600 0.022 0.000 0.974 344 E CA -0.621 55.793 56.400 0.023 0.000 0.815 344 E CB 0.774 30.497 29.700 0.039 0.000 1.119 344 E HN 0.576 nan 8.360 nan 0.000 0.393 345 N N 2.420 121.130 118.700 0.017 0.000 2.699 345 N HA -0.187 4.563 4.740 0.017 0.000 0.256 345 N C -1.219 174.298 175.510 0.012 0.000 0.993 345 N CA 1.171 54.232 53.050 0.017 0.000 0.759 345 N CB -1.129 37.371 38.487 0.023 0.000 0.906 345 N HN 0.334 nan 8.380 nan 0.000 0.541 346 S N 0.234 115.933 115.700 -0.002 0.000 2.843 346 S HA 0.198 4.678 4.470 0.017 0.000 0.249 346 S C 0.224 174.804 174.600 -0.033 0.000 1.047 346 S CA -0.267 57.925 58.200 -0.014 0.000 1.042 346 S CB 0.424 63.605 63.200 -0.031 0.000 0.936 346 S HN 0.487 nan 8.310 nan 0.000 0.531 347 K N 0.797 121.187 120.400 -0.018 0.000 3.035 347 K HA -0.136 4.194 4.320 0.017 0.000 0.262 347 K C -0.473 176.112 176.600 -0.025 0.000 1.024 347 K CA 0.164 56.442 56.287 -0.015 0.000 0.748 347 K CB -1.956 30.538 32.500 -0.009 0.000 1.247 347 K HN 0.259 nan 8.250 nan 0.000 0.482 348 V N 1.746 121.628 119.914 -0.052 0.000 2.508 348 V HA 0.129 4.259 4.120 0.017 0.000 0.281 348 V C 0.904 176.974 176.094 -0.041 0.000 1.041 348 V CA 0.410 62.640 62.300 -0.117 0.000 1.016 348 V CB 0.187 31.942 31.823 -0.112 0.000 0.984 348 V HN 0.396 nan 8.190 nan 0.000 0.478 349 F N 4.524 124.370 119.950 -0.173 0.000 2.767 349 F HA 0.719 5.256 4.527 0.017 0.000 0.323 349 F C -0.548 175.164 175.800 -0.147 0.000 1.091 349 F CA -0.534 57.343 58.000 -0.206 0.000 1.192 349 F CB 0.475 39.266 39.000 -0.348 0.000 1.056 349 F HN 0.360 nan 8.300 nan 0.000 0.571 350 L N 1.210 122.060 121.223 -0.622 0.000 2.592 350 L HA 0.668 5.018 4.340 0.017 0.000 0.258 350 L C -1.916 174.805 176.870 -0.249 0.000 0.926 350 L CA -0.706 53.916 54.840 -0.364 0.000 0.885 350 L CB 2.310 44.073 42.059 -0.494 0.000 1.380 350 L HN -0.135 nan 8.230 nan 0.000 0.415 351 V N 6.259 126.170 119.914 -0.005 0.000 2.284 351 V HA 0.457 4.588 4.120 0.017 0.000 0.274 351 V C -2.077 174.090 176.094 0.121 0.000 1.023 351 V CA -1.364 61.014 62.300 0.131 0.000 0.808 351 V CB 1.195 33.230 31.823 0.354 0.000 1.035 351 V HN 0.681 nan 8.190 nan 0.000 0.445 352 P HA -0.056 nan 4.420 nan 0.000 0.263 352 P C 1.250 178.606 177.300 0.092 0.000 1.175 352 P CA 0.333 63.488 63.100 0.092 0.000 0.761 352 P CB 0.924 32.691 31.700 0.111 0.000 0.794 353 c N 3.385 122.001 118.600 0.027 0.000 2.376 353 c HA -0.208 4.372 4.570 0.017 0.000 0.275 353 c C 3.037 177.133 174.090 0.011 0.000 1.200 353 c CA 2.366 58.669 56.329 -0.043 0.000 1.756 353 c CB -1.779 40.705 42.510 -0.043 0.000 2.050 353 c HN 0.746 nan 8.230 nan 0.000 0.460 354 S N -0.025 115.756 115.700 0.134 0.000 2.400 354 S HA -0.213 4.268 4.470 0.017 0.000 0.232 354 S C 1.706 176.487 174.600 0.302 0.000 1.025 354 S CA 1.697 60.063 58.200 0.275 0.000 0.993 354 S CB -0.986 62.458 63.200 0.407 0.000 0.808 354 S HN 0.725 nan 8.310 nan 0.000 0.478 355 F N 2.933 122.794 119.950 -0.148 0.000 2.128 355 F HA 0.070 4.607 4.527 0.017 0.000 0.295 355 F C 2.403 178.078 175.800 -0.207 0.000 1.100 355 F CA 1.149 58.757 58.000 -0.653 0.000 1.260 355 F CB -0.886 37.746 39.000 -0.613 0.000 1.009 355 F HN 0.166 nan 8.300 nan 0.000 0.476 356 S N 0.183 115.763 115.700 -0.201 0.000 2.399 356 S HA -0.233 4.248 4.470 0.017 0.000 0.231 356 S C 1.815 176.262 174.600 -0.254 0.000 1.022 356 S CA 1.444 59.472 58.200 -0.286 0.000 0.983 356 S CB -0.442 62.392 63.200 -0.610 0.000 0.803 356 S HN 0.554 nan 8.310 nan 0.000 0.480 357 Q N -0.329 119.366 119.800 -0.176 0.000 2.297 357 Q HA -0.066 4.285 4.340 0.017 0.000 0.204 357 Q C 1.406 177.315 176.000 -0.151 0.000 0.962 357 Q CA 0.991 56.705 55.803 -0.148 0.000 0.879 357 Q CB -0.138 28.530 28.738 -0.117 0.000 0.947 357 Q HN 0.652 nan 8.270 nan 0.000 0.462 358 H N -0.322 118.669 119.070 -0.132 0.000 2.548 358 H HA 0.108 4.675 4.556 0.017 0.000 0.268 358 H C 0.249 175.507 175.328 -0.116 0.000 0.975 358 H CA 0.366 56.365 56.048 -0.082 0.000 1.195 358 H CB 0.324 30.067 29.762 -0.032 0.000 1.397 358 H HN 0.044 nan 8.280 nan 0.000 0.572 359 L N 1.562 122.735 121.223 -0.083 0.000 2.480 359 L HA 0.105 4.455 4.340 0.017 0.000 0.243 359 L C 0.902 177.778 176.870 0.010 0.000 1.315 359 L CA 0.020 54.822 54.840 -0.064 0.000 1.231 359 L CB 0.129 42.126 42.059 -0.104 0.000 1.444 359 L HN 0.215 nan 8.230 nan 0.000 0.409 360 K N -0.304 120.100 120.400 0.006 0.000 2.283 360 K HA -0.055 4.275 4.320 0.017 0.000 0.202 360 K C 1.599 178.212 176.600 0.022 0.000 1.048 360 K CA 0.931 57.224 56.287 0.010 0.000 0.948 360 K CB 0.111 32.611 32.500 -0.001 0.000 0.742 360 K HN 0.341 nan 8.250 nan 0.000 0.458 361 S N 0.553 116.266 115.700 0.022 0.000 2.524 361 S HA 0.087 4.568 4.470 0.017 0.000 0.215 361 S C 0.164 174.777 174.600 0.021 0.000 0.986 361 S CA -0.471 57.742 58.200 0.023 0.000 0.911 361 S CB 0.113 63.327 63.200 0.023 0.000 0.805 361 S HN 0.104 nan 8.310 nan 0.000 0.501 362 L N 3.061 124.294 121.223 0.016 0.000 2.559 362 L HA 0.057 4.407 4.340 0.017 0.000 0.274 362 L C 0.854 177.729 176.870 0.008 0.000 1.205 362 L CA 1.038 55.876 54.840 -0.003 0.000 0.907 362 L CB 0.232 42.260 42.059 -0.053 0.000 1.153 362 L HN 0.128 nan 8.230 nan 0.000 0.490 363 E N 3.912 124.126 120.200 0.023 0.000 2.399 363 E HA 0.106 4.466 4.350 0.017 0.000 0.205 363 E C -0.738 175.907 176.600 0.074 0.000 0.906 363 E CA 0.055 56.481 56.400 0.043 0.000 0.998 363 E CB 0.668 30.398 29.700 0.049 0.000 1.002 363 E HN 0.458 nan 8.360 nan 0.000 0.501 364 F N 1.561 121.446 119.950 -0.108 0.000 2.539 364 F HA 0.499 5.036 4.527 0.018 0.000 0.318 364 F C -1.795 173.897 175.800 -0.180 0.000 1.135 364 F CA -1.350 56.573 58.000 -0.130 0.000 0.915 364 F CB 1.557 40.495 39.000 -0.104 0.000 1.176 364 F HN -0.209 nan 8.300 nan 0.000 0.440 365 L N 6.468 127.180 121.223 -0.851 0.000 2.439 365 L HA 0.508 4.858 4.340 0.017 0.000 0.270 365 L C -1.921 174.434 176.870 -0.859 0.000 0.972 365 L CA -0.203 54.195 54.840 -0.738 0.000 0.836 365 L CB 1.531 43.110 42.059 -0.800 0.000 1.255 365 L HN 0.633 nan 8.230 nan 0.000 0.404 366 D N 5.095 125.133 120.400 -0.604 0.000 2.440 366 D HA 0.365 5.015 4.640 0.017 0.000 0.239 366 D C -0.535 175.654 176.300 -0.185 0.000 1.084 366 D CA -0.078 53.692 54.000 -0.383 0.000 0.843 366 D CB 1.210 41.917 40.800 -0.155 0.000 1.097 366 D HN 0.662 nan 8.370 nan 0.000 0.531 367 L N 2.560 123.690 121.223 -0.155 0.000 3.154 367 L HA 0.246 4.597 4.340 0.017 0.000 0.266 367 L C 0.503 177.354 176.870 -0.033 0.000 1.300 367 L CA -0.413 54.379 54.840 -0.081 0.000 1.028 367 L CB 0.440 42.453 42.059 -0.076 0.000 1.412 367 L HN 0.156 nan 8.230 nan 0.000 0.564 368 S N 0.799 116.485 115.700 -0.023 0.000 2.563 368 S HA 0.012 4.493 4.470 0.017 0.000 0.284 368 S C 0.680 175.288 174.600 0.012 0.000 1.331 368 S CA 0.013 58.215 58.200 0.003 0.000 1.047 368 S CB 0.236 63.445 63.200 0.015 0.000 0.859 368 S HN 0.523 nan 8.310 nan 0.000 0.514 369 E N 0.170 120.381 120.200 0.017 0.000 2.320 369 E HA -0.247 4.114 4.350 0.017 0.000 0.234 369 E C -0.390 176.232 176.600 0.036 0.000 1.183 369 E CA 0.386 56.800 56.400 0.023 0.000 0.713 369 E CB -1.812 27.899 29.700 0.019 0.000 1.226 369 E HN 0.626 nan 8.360 nan 0.000 0.382 370 N N -0.600 118.131 118.700 0.051 0.000 3.255 370 N HA 0.557 5.307 4.740 0.017 0.000 0.359 370 N C -0.343 175.228 175.510 0.102 0.000 1.463 370 N CA -0.846 52.235 53.050 0.051 0.000 0.695 370 N CB 0.517 39.018 38.487 0.023 0.000 1.581 370 N HN -0.071 nan 8.380 nan 0.000 0.622 371 L N 1.058 122.314 121.223 0.054 0.000 3.141 371 L HA 0.397 4.747 4.340 0.017 0.000 0.267 371 L C -0.785 176.092 176.870 0.012 0.000 1.281 371 L CA 0.047 54.869 54.840 -0.029 0.000 1.037 371 L CB -0.137 41.840 42.059 -0.137 0.000 1.407 371 L HN 0.477 nan 8.230 nan 0.000 0.566 372 M N 1.584 121.244 119.600 0.101 0.000 2.238 372 M HA 0.325 4.816 4.480 0.017 0.000 0.350 372 M C 0.169 176.564 176.300 0.158 0.000 1.321 372 M CA 0.131 55.510 55.300 0.132 0.000 1.097 372 M CB 0.764 33.446 32.600 0.136 0.000 1.713 372 M HN 0.048 nan 8.290 nan 0.000 0.455 373 V N 1.124 121.155 119.914 0.195 0.000 3.001 373 V HA 0.495 4.625 4.120 0.017 0.000 0.314 373 V C 0.824 177.049 176.094 0.218 0.000 1.099 373 V CA -0.837 61.582 62.300 0.199 0.000 0.989 373 V CB 1.617 33.560 31.823 0.201 0.000 1.040 373 V HN 0.788 nan 8.190 nan 0.000 0.434 374 E N 0.883 121.182 120.200 0.165 0.000 2.086 374 E HA -0.225 4.135 4.350 0.017 0.000 0.205 374 E C 1.839 178.492 176.600 0.087 0.000 1.027 374 E CA 2.537 59.013 56.400 0.127 0.000 0.830 374 E CB -0.213 29.548 29.700 0.102 0.000 0.751 374 E HN 0.889 nan 8.360 nan 0.000 0.456 375 E N -0.640 119.594 120.200 0.056 0.000 2.130 375 E HA -0.214 4.146 4.350 0.017 0.000 0.196 375 E C 1.946 178.423 176.600 -0.204 0.000 0.998 375 E CA 1.311 57.648 56.400 -0.104 0.000 0.806 375 E CB -0.205 29.369 29.700 -0.210 0.000 0.738 375 E HN 0.448 nan 8.360 nan 0.000 0.459 376 Y N -0.101 120.245 120.300 0.076 0.000 2.365 376 Y HA -0.061 4.500 4.550 0.017 0.000 0.293 376 Y C 2.119 178.059 175.900 0.067 0.000 1.119 376 Y CA 0.225 58.379 58.100 0.090 0.000 1.203 376 Y CB -0.131 38.425 38.460 0.159 0.000 1.026 376 Y HN 0.027 nan 8.280 nan 0.000 0.549 377 L N 0.957 122.300 121.223 0.201 0.000 2.191 377 L HA -0.156 4.194 4.340 0.017 0.000 0.212 377 L C 2.212 179.118 176.870 0.060 0.000 1.103 377 L CA 1.743 56.676 54.840 0.154 0.000 0.769 377 L CB -0.507 41.652 42.059 0.167 0.000 0.908 377 L HN 0.082 nan 8.230 nan 0.000 0.438 378 K N -0.728 119.684 120.400 0.021 0.000 2.148 378 K HA -0.202 4.128 4.320 0.017 0.000 0.204 378 K C 2.080 178.641 176.600 -0.066 0.000 1.050 378 K CA 1.421 57.688 56.287 -0.032 0.000 0.942 378 K CB -0.206 32.266 32.500 -0.047 0.000 0.724 378 K HN 0.511 nan 8.250 nan 0.000 0.446 379 N N -0.325 118.344 118.700 -0.051 0.000 2.290 379 N HA -0.064 4.686 4.740 0.017 0.000 0.179 379 N C 1.346 176.798 175.510 -0.097 0.000 1.016 379 N CA 0.936 53.950 53.050 -0.059 0.000 0.871 379 N CB 0.149 38.625 38.487 -0.018 0.000 0.987 379 N HN 0.069 nan 8.380 nan 0.000 0.431 380 S N 0.379 116.037 115.700 -0.070 0.000 2.382 380 S HA 0.010 4.491 4.470 0.017 0.000 0.228 380 S C 1.247 175.491 174.600 -0.593 0.000 1.027 380 S CA 0.972 59.082 58.200 -0.150 0.000 0.991 380 S CB -0.053 63.206 63.200 0.097 0.000 0.823 380 S HN 0.507 nan 8.310 nan 0.000 0.469 381 A N 1.382 123.929 122.820 -0.456 0.000 3.264 381 A HA 0.432 4.763 4.320 0.017 0.000 0.299 381 A C 0.689 178.071 177.584 -0.336 0.000 1.272 381 A CA -0.768 50.922 52.037 -0.579 0.000 1.030 381 A CB -1.082 17.779 19.000 -0.232 0.000 1.102 381 A HN 0.608 nan 8.150 nan 0.000 0.615 382 c N -1.022 117.381 118.600 -0.329 0.000 2.639 382 c HA 0.382 4.962 4.570 0.017 0.000 0.360 382 c C 2.006 175.987 174.090 -0.182 0.000 1.351 382 c CA -0.164 56.044 56.329 -0.201 0.000 2.408 382 c CB 0.240 42.653 42.510 -0.161 0.000 2.517 382 c HN 0.885 nan 8.230 nan 0.000 0.696 383 K N 1.083 121.412 120.400 -0.118 0.000 2.037 383 K HA -0.245 4.086 4.320 0.017 0.000 0.229 383 K C 1.463 178.004 176.600 -0.098 0.000 1.040 383 K CA 2.685 58.918 56.287 -0.090 0.000 0.981 383 K CB -1.015 31.445 32.500 -0.067 0.000 0.749 383 K HN 1.012 nan 8.250 nan 0.000 0.451 384 G N -0.540 108.193 108.800 -0.111 0.000 3.707 384 G HA2 0.490 4.460 3.960 0.017 0.000 0.286 384 G HA3 0.490 4.460 3.960 0.017 0.000 0.286 384 G C -0.322 174.486 174.900 -0.154 0.000 1.112 384 G CA 0.161 45.197 45.100 -0.105 0.000 0.861 384 G HN 0.558 nan 8.290 nan 0.000 0.534 385 A N -0.135 122.532 122.820 -0.255 0.000 2.386 385 A HA 0.477 4.807 4.320 0.017 0.000 0.248 385 A C 0.714 178.140 177.584 -0.262 0.000 1.082 385 A CA -0.456 51.302 52.037 -0.465 0.000 0.789 385 A CB -0.072 18.399 19.000 -0.881 0.000 1.025 385 A HN 0.642 nan 8.150 nan 0.000 0.490 386 W N 0.024 121.272 121.300 -0.087 0.000 7.770 386 W HA -0.146 4.529 4.660 0.024 0.000 0.420 386 W C -1.943 174.545 176.519 -0.052 0.000 1.677 386 W CA -0.012 57.285 57.345 -0.081 0.000 1.245 386 W CB -2.441 26.974 29.460 -0.075 0.000 2.908 386 W HN 0.628 nan 8.180 nan 0.000 1.678 387 P HA -0.215 nan 4.420 nan 0.000 0.217 387 P C 1.528 178.867 177.300 0.065 0.000 1.158 387 P CA 2.862 65.994 63.100 0.052 0.000 0.887 387 P CB 0.002 31.712 31.700 0.016 0.000 0.792 388 S N -1.558 114.183 115.700 0.069 0.000 2.593 388 S HA 0.095 4.575 4.470 0.017 0.000 0.217 388 S C 0.639 175.276 174.600 0.061 0.000 0.966 388 S CA -0.365 57.867 58.200 0.054 0.000 0.914 388 S CB -0.722 62.502 63.200 0.039 0.000 0.776 388 S HN -0.002 nan 8.310 nan 0.000 0.523 389 L N 2.590 123.867 121.223 0.091 0.000 2.559 389 L HA 0.010 4.360 4.340 0.017 0.000 0.274 389 L C 1.028 177.929 176.870 0.052 0.000 1.205 389 L CA 1.029 55.908 54.840 0.065 0.000 0.907 389 L CB 0.431 42.554 42.059 0.107 0.000 1.153 389 L HN 0.170 nan 8.230 nan 0.000 0.490 390 Q N 1.582 121.400 119.800 0.030 0.000 2.431 390 Q HA 0.215 4.566 4.340 0.017 0.000 0.244 390 Q C -0.302 175.708 176.000 0.016 0.000 0.880 390 Q CA 0.343 56.165 55.803 0.032 0.000 0.954 390 Q CB 0.693 29.450 28.738 0.031 0.000 1.105 390 Q HN 0.688 nan 8.270 nan 0.000 0.558 391 T N 1.410 115.957 114.554 -0.011 0.000 2.841 391 T HA 0.518 4.879 4.350 0.017 0.000 0.285 391 T C -1.597 172.965 174.700 -0.232 0.000 0.991 391 T CA -0.464 61.599 62.100 -0.062 0.000 0.966 391 T CB 1.684 70.591 68.868 0.065 0.000 0.962 391 T HN -0.051 nan 8.240 nan 0.000 0.438 392 L N 4.650 125.762 121.223 -0.186 0.000 2.376 392 L HA 0.745 5.096 4.340 0.017 0.000 0.275 392 L C -1.319 175.439 176.870 -0.186 0.000 0.987 392 L CA -0.644 54.046 54.840 -0.251 0.000 0.828 392 L CB 1.623 43.620 42.059 -0.104 0.000 1.249 392 L HN 0.454 nan 8.230 nan 0.000 0.409 393 V N 7.189 126.934 119.914 -0.281 0.000 2.357 393 V HA 0.388 4.519 4.120 0.017 0.000 0.284 393 V C 0.376 176.417 176.094 -0.089 0.000 1.018 393 V CA -0.211 62.003 62.300 -0.143 0.000 0.841 393 V CB 1.380 33.105 31.823 -0.164 0.000 0.991 393 V HN 0.716 nan 8.190 nan 0.000 0.437 394 L N 3.407 124.630 121.223 0.001 0.000 3.218 394 L HA 0.216 4.566 4.340 0.017 0.000 0.279 394 L C 1.864 178.763 176.870 0.050 0.000 1.287 394 L CA 0.191 55.051 54.840 0.033 0.000 1.024 394 L CB 0.768 42.881 42.059 0.089 0.000 1.409 394 L HN 0.767 nan 8.230 nan 0.000 0.580 395 S N 1.032 116.755 115.700 0.038 0.000 2.504 395 S HA -0.337 4.143 4.470 0.017 0.000 0.276 395 S C 1.102 175.708 174.600 0.010 0.000 1.065 395 S CA 1.667 59.890 58.200 0.038 0.000 1.500 395 S CB -0.048 63.172 63.200 0.033 0.000 1.295 395 S HN 0.595 nan 8.310 nan 0.000 0.432 396 Q N 1.732 121.530 119.800 -0.002 0.000 2.844 396 Q HA 0.301 4.652 4.340 0.017 0.000 0.235 396 Q C -0.580 175.406 176.000 -0.024 0.000 1.336 396 Q CA -0.243 55.540 55.803 -0.032 0.000 1.026 396 Q CB -0.201 28.522 28.738 -0.025 0.000 1.513 396 Q HN 0.497 nan 8.270 nan 0.000 0.577 397 N N -0.576 118.102 118.700 -0.036 0.000 3.312 397 N HA 0.332 5.083 4.740 0.017 0.000 0.361 397 N C -0.926 174.549 175.510 -0.058 0.000 1.476 397 N CA -0.681 52.397 53.050 0.047 0.000 0.669 397 N CB 0.688 39.225 38.487 0.083 0.000 1.629 397 N HN 0.281 nan 8.380 nan 0.000 0.612 398 H N -0.469 118.562 119.070 -0.064 0.000 2.467 398 H HA 0.421 4.987 4.556 0.018 0.000 0.275 398 H C -0.716 174.546 175.328 -0.110 0.000 1.131 398 H CA -0.289 55.706 56.048 -0.089 0.000 0.989 398 H CB -0.272 29.463 29.762 -0.045 0.000 1.696 398 H HN 0.112 nan 8.280 nan 0.000 0.574 399 L N 0.501 121.662 121.223 -0.104 0.000 2.426 399 L HA 0.193 4.543 4.340 0.017 0.000 0.271 399 L C 1.178 177.836 176.870 -0.353 0.000 1.169 399 L CA 0.030 54.796 54.840 -0.124 0.000 0.836 399 L CB 0.930 42.956 42.059 -0.056 0.000 1.112 399 L HN 0.304 nan 8.230 nan 0.000 0.465 400 R N 0.322 120.777 120.500 -0.075 0.000 2.435 400 R HA 0.160 4.510 4.340 0.017 0.000 0.221 400 R C 0.045 176.559 176.300 0.355 0.000 0.885 400 R CA 0.132 56.210 56.100 -0.037 0.000 1.018 400 R CB 0.875 31.206 30.300 0.053 0.000 1.259 400 R HN 0.572 nan 8.270 nan 0.000 0.597 401 S N 0.480 116.457 115.700 0.463 0.000 2.659 401 S HA 0.357 4.837 4.470 0.017 0.000 0.312 401 S C 0.932 175.705 174.600 0.288 0.000 1.114 401 S CA -0.457 57.984 58.200 0.401 0.000 1.063 401 S CB 1.052 64.382 63.200 0.218 0.000 0.996 401 S HN 0.037 nan 8.310 nan 0.000 0.478 402 M N 3.296 122.896 119.600 0.000 0.000 2.175 402 M HA -0.117 4.373 4.480 0.017 0.000 0.264 402 M C 2.310 178.482 176.300 -0.213 0.000 1.063 402 M CA 1.466 56.619 55.300 -0.245 0.000 1.119 402 M CB -0.275 32.139 32.600 -0.310 0.000 1.377 402 M HN 0.839 nan 8.290 nan 0.000 0.415 403 Q N 0.825 120.533 119.800 -0.153 0.000 2.050 403 Q HA -0.232 4.118 4.340 0.017 0.000 0.202 403 Q C 2.017 177.874 176.000 -0.240 0.000 0.980 403 Q CA 1.681 57.341 55.803 -0.239 0.000 0.840 403 Q CB -0.003 28.663 28.738 -0.121 0.000 0.898 403 Q HN 0.377 nan 8.270 nan 0.000 0.424 404 K N -0.790 119.548 120.400 -0.102 0.000 2.097 404 K HA -0.104 4.227 4.320 0.017 0.000 0.205 404 K C 1.912 178.465 176.600 -0.079 0.000 1.050 404 K CA 1.625 57.871 56.287 -0.068 0.000 0.938 404 K CB 0.026 32.532 32.500 0.010 0.000 0.718 404 K HN 0.204 nan 8.250 nan 0.000 0.442 405 T N -0.071 114.456 114.554 -0.046 0.000 2.708 405 T HA -0.101 4.260 4.350 0.017 0.000 0.266 405 T C 1.742 176.361 174.700 -0.134 0.000 1.037 405 T CA 1.448 63.553 62.100 0.008 0.000 1.146 405 T CB -0.509 68.460 68.868 0.170 0.000 0.865 405 T HN 0.511 nan 8.240 nan 0.000 0.435 406 G N 0.844 109.330 108.800 -0.523 0.000 2.418 406 G HA2 -0.234 3.736 3.960 0.017 0.000 0.217 406 G HA3 -0.234 3.736 3.960 0.017 0.000 0.217 406 G C 1.384 176.040 174.900 -0.407 0.000 1.158 406 G CA 1.048 45.640 45.100 -0.846 0.000 0.771 406 G HN 0.587 nan 8.290 nan 0.000 0.545 407 E N 0.058 120.049 120.200 -0.349 0.000 2.077 407 E HA -0.106 4.254 4.350 0.017 0.000 0.193 407 E C 2.473 179.009 176.600 -0.107 0.000 0.989 407 E CA 0.777 57.058 56.400 -0.198 0.000 0.800 407 E CB -0.203 29.398 29.700 -0.165 0.000 0.746 407 E HN 0.517 nan 8.360 nan 0.000 0.452 408 I N 0.839 121.362 120.570 -0.079 0.000 2.286 408 I HA -0.260 3.920 4.170 0.017 0.000 0.248 408 I C 2.050 178.163 176.117 -0.007 0.000 1.115 408 I CA 0.847 62.127 61.300 -0.033 0.000 1.392 408 I CB -0.073 37.926 38.000 -0.001 0.000 1.065 408 I HN 0.209 nan 8.210 nan 0.000 0.418 409 L N 0.318 121.553 121.223 0.021 0.000 2.610 409 L HA -0.049 4.301 4.340 0.017 0.000 0.232 409 L C 2.090 178.999 176.870 0.065 0.000 1.149 409 L CA 0.162 55.049 54.840 0.079 0.000 0.872 409 L CB -0.324 41.831 42.059 0.159 0.000 0.992 409 L HN 0.292 nan 8.230 nan 0.000 0.447 410 L N -0.032 121.203 121.223 0.019 0.000 2.349 410 L HA -0.170 4.180 4.340 0.017 0.000 0.220 410 L C 2.643 179.524 176.870 0.019 0.000 1.130 410 L CA 1.511 56.363 54.840 0.021 0.000 0.791 410 L CB -0.915 41.137 42.059 -0.011 0.000 0.918 410 L HN 0.475 nan 8.230 nan 0.000 0.444 411 T N -2.488 112.068 114.554 0.004 0.000 2.995 411 T HA -0.045 4.316 4.350 0.017 0.000 0.269 411 T C 0.946 175.652 174.700 0.011 0.000 1.091 411 T CA 0.373 62.465 62.100 -0.013 0.000 1.128 411 T CB -0.354 68.480 68.868 -0.057 0.000 0.891 411 T HN 0.197 nan 8.240 nan 0.000 0.492 412 L N 1.888 123.143 121.223 0.053 0.000 2.358 412 L HA 0.355 4.706 4.340 0.017 0.000 0.274 412 L C 1.148 178.066 176.870 0.080 0.000 1.136 412 L CA -0.828 54.066 54.840 0.090 0.000 0.970 412 L CB 0.511 42.665 42.059 0.157 0.000 1.314 412 L HN -0.040 nan 8.230 nan 0.000 0.427 413 K N 0.894 121.328 120.400 0.057 0.000 2.211 413 K HA -0.044 4.287 4.320 0.017 0.000 0.203 413 K C 0.887 177.520 176.600 0.055 0.000 1.050 413 K CA 0.933 57.250 56.287 0.050 0.000 0.945 413 K CB 0.063 32.583 32.500 0.033 0.000 0.732 413 K HN 0.525 nan 8.250 nan 0.000 0.451 414 N N 0.718 119.454 118.700 0.059 0.000 2.230 414 N HA 0.005 4.756 4.740 0.017 0.000 0.202 414 N C 0.030 175.577 175.510 0.061 0.000 1.119 414 N CA -0.196 52.886 53.050 0.054 0.000 0.851 414 N CB 0.281 38.797 38.487 0.047 0.000 0.990 414 N HN 0.043 nan 8.380 nan 0.000 0.497 415 L N 2.051 123.320 121.223 0.078 0.000 2.513 415 L HA 0.029 4.380 4.340 0.017 0.000 0.272 415 L C 1.455 178.370 176.870 0.075 0.000 1.187 415 L CA 0.798 55.687 54.840 0.082 0.000 0.895 415 L CB 0.671 42.797 42.059 0.111 0.000 1.147 415 L HN 0.123 nan 8.230 nan 0.000 0.483 416 T N -1.507 113.083 114.554 0.061 0.000 2.959 416 T HA 0.302 4.662 4.350 0.017 0.000 0.254 416 T C 0.498 175.247 174.700 0.082 0.000 1.003 416 T CA 0.051 62.188 62.100 0.061 0.000 0.950 416 T CB 0.124 69.017 68.868 0.042 0.000 1.090 416 T HN 0.456 nan 8.240 nan 0.000 0.503 417 S N 1.175 116.917 115.700 0.070 0.000 2.571 417 S HA 0.766 5.247 4.470 0.017 0.000 0.284 417 S C -1.708 172.971 174.600 0.130 0.000 1.128 417 S CA -0.757 57.512 58.200 0.114 0.000 0.970 417 S CB 2.175 65.299 63.200 -0.127 0.000 1.039 417 S HN 0.407 nan 8.310 nan 0.000 0.485 418 L N 2.966 124.332 121.223 0.239 0.000 2.409 418 L HA 0.695 5.046 4.340 0.017 0.000 0.272 418 L C -1.698 175.301 176.870 0.215 0.000 0.980 418 L CA -0.260 54.681 54.840 0.168 0.000 0.826 418 L CB 1.849 43.986 42.059 0.129 0.000 1.268 418 L HN 0.578 nan 8.230 nan 0.000 0.407 419 D N 5.138 125.641 120.400 0.172 0.000 2.453 419 D HA 0.371 5.021 4.640 0.017 0.000 0.238 419 D C 0.069 176.450 176.300 0.135 0.000 1.088 419 D CA -0.250 53.855 54.000 0.175 0.000 0.854 419 D CB 0.869 41.778 40.800 0.182 0.000 1.076 419 D HN 0.576 nan 8.370 nan 0.000 0.533 420 I N 1.090 121.751 120.570 0.152 0.000 3.707 420 I HA 0.270 4.450 4.170 0.017 0.000 0.330 420 I C 0.369 176.630 176.117 0.240 0.000 1.572 420 I CA -0.732 60.709 61.300 0.234 0.000 1.104 420 I CB 0.116 38.346 38.000 0.382 0.000 1.240 420 I HN 0.121 nan 8.210 nan 0.000 0.475 421 S N 1.108 116.886 115.700 0.130 0.000 2.589 421 S HA 0.332 4.813 4.470 0.017 0.000 0.265 421 S C 0.870 175.497 174.600 0.045 0.000 1.342 421 S CA -0.291 57.958 58.200 0.081 0.000 1.005 421 S CB 0.619 63.839 63.200 0.033 0.000 0.909 421 S HN 0.657 nan 8.310 nan 0.000 0.555 422 R N -0.372 120.132 120.500 0.007 0.000 3.758 422 R HA -0.182 4.169 4.340 0.017 0.000 0.299 422 R C -1.160 175.075 176.300 -0.109 0.000 1.182 422 R CA 0.928 57.001 56.100 -0.044 0.000 0.809 422 R CB -2.536 27.742 30.300 -0.037 0.000 1.249 422 R HN 0.783 nan 8.270 nan 0.000 0.497 423 N N -0.260 118.349 118.700 -0.152 0.000 2.314 423 N HA 0.205 4.956 4.740 0.017 0.000 0.304 423 N C -0.421 174.806 175.510 -0.472 0.000 1.073 423 N CA -0.503 52.305 53.050 -0.403 0.000 0.822 423 N CB 1.578 39.659 38.487 -0.677 0.000 1.280 423 N HN 0.126 nan 8.380 nan 0.000 0.489 424 T N -0.150 114.124 114.554 -0.466 0.000 2.992 424 T HA 0.352 4.713 4.350 0.017 0.000 0.299 424 T C -0.357 174.092 174.700 -0.418 0.000 1.027 424 T CA -0.385 61.513 62.100 -0.336 0.000 1.001 424 T CB -1.037 67.673 68.868 -0.263 0.000 1.005 424 T HN 0.187 nan 8.240 nan 0.000 0.599 425 F N 2.576 122.456 119.950 -0.116 0.000 2.375 425 F HA 0.353 4.889 4.527 0.014 0.000 0.333 425 F C 1.626 177.352 175.800 -0.123 0.000 1.104 425 F CA -0.953 56.984 58.000 -0.105 0.000 1.149 425 F CB 0.880 39.879 39.000 -0.001 0.000 1.190 425 F HN 0.487 nan 8.300 nan 0.000 0.533 426 H N 1.507 120.728 119.070 0.253 0.000 2.597 426 H HA 0.197 4.764 4.556 0.018 0.000 0.370 426 H C -2.046 173.361 175.328 0.132 0.000 1.281 426 H CA -1.660 54.472 56.048 0.140 0.000 1.422 426 H CB 0.227 30.052 29.762 0.105 0.000 1.524 426 H HN 0.224 nan 8.280 nan 0.000 0.607 427 P HA -0.044 nan 4.420 nan 0.000 0.265 427 P C 0.338 177.698 177.300 0.100 0.000 1.187 427 P CA 0.279 63.453 63.100 0.124 0.000 0.766 427 P CB 0.345 32.097 31.700 0.087 0.000 0.820 428 M N 4.329 123.965 119.600 0.061 0.000 2.241 428 M HA 0.529 5.020 4.480 0.017 0.000 0.335 428 M C -2.345 173.973 176.300 0.030 0.000 1.122 428 M CA -1.514 53.809 55.300 0.038 0.000 1.164 428 M CB 0.619 33.233 32.600 0.024 0.000 1.459 428 M HN 0.116 nan 8.290 nan 0.000 0.461 429 P HA 0.290 nan 4.420 nan 0.000 0.297 429 P C -0.680 176.629 177.300 0.015 0.000 1.307 429 P CA -0.227 62.880 63.100 0.012 0.000 0.773 429 P CB 0.869 32.569 31.700 0.000 0.000 1.265 430 D N -1.289 119.115 120.400 0.008 0.000 2.289 430 D HA 0.033 4.683 4.640 0.017 0.000 0.207 430 D C 0.114 176.425 176.300 0.019 0.000 0.966 430 D CA 1.136 55.142 54.000 0.009 0.000 0.868 430 D CB 0.210 41.010 40.800 0.001 0.000 0.943 430 D HN 0.218 nan 8.370 nan 0.000 0.514 431 S N -0.121 115.587 115.700 0.012 0.000 2.561 431 S HA 0.520 5.000 4.470 0.017 0.000 0.303 431 S C -0.523 174.072 174.600 -0.008 0.000 1.110 431 S CA -0.697 57.510 58.200 0.012 0.000 1.034 431 S CB 2.271 65.470 63.200 -0.002 0.000 1.010 431 S HN 0.092 nan 8.310 nan 0.000 0.482 432 c N 2.534 121.136 118.600 0.004 0.000 2.994 432 c HA 0.572 5.152 4.570 0.017 0.000 0.305 432 c C -1.090 172.915 174.090 -0.140 0.000 1.251 432 c CA -0.983 55.278 56.329 -0.114 0.000 1.478 432 c CB 2.129 44.594 42.510 -0.074 0.000 1.922 432 c HN 0.726 nan 8.230 nan 0.000 0.472 433 Q N 0.809 120.412 119.800 -0.329 0.000 2.293 433 Q HA 0.504 4.855 4.340 0.017 0.000 0.261 433 Q C -1.369 174.389 176.000 -0.404 0.000 0.960 433 Q CA 0.115 55.788 55.803 -0.216 0.000 0.882 433 Q CB 2.065 30.709 28.738 -0.156 0.000 1.275 433 Q HN 0.767 nan 8.270 nan 0.000 0.445 434 W N 1.551 122.853 121.300 0.003 0.000 3.029 434 W HA 0.422 5.095 4.660 0.022 0.000 0.339 434 W C -2.115 174.414 176.519 0.017 0.000 1.198 434 W CA -1.910 55.441 57.345 0.009 0.000 1.148 434 W CB 0.393 29.857 29.460 0.006 0.000 1.451 434 W HN 0.417 nan 8.180 nan 0.000 0.564 435 P HA -0.058 nan 4.420 nan 0.000 0.262 435 P C 0.650 178.044 177.300 0.157 0.000 1.182 435 P CA 0.457 63.666 63.100 0.182 0.000 0.761 435 P CB 0.738 32.544 31.700 0.176 0.000 0.795 436 E N 2.698 122.963 120.200 0.108 0.000 2.160 436 E HA -0.226 4.135 4.350 0.017 0.000 0.195 436 E C 0.684 177.326 176.600 0.070 0.000 0.991 436 E CA 1.261 57.712 56.400 0.085 0.000 0.810 436 E CB 0.066 29.803 29.700 0.062 0.000 0.742 436 E HN 0.382 nan 8.360 nan 0.000 0.466 437 K N -0.059 120.382 120.400 0.068 0.000 2.404 437 K HA 0.112 4.442 4.320 0.017 0.000 0.194 437 K C 0.405 177.039 176.600 0.057 0.000 1.023 437 K CA -0.287 56.033 56.287 0.055 0.000 1.094 437 K CB 0.110 32.641 32.500 0.050 0.000 0.841 437 K HN 0.188 nan 8.250 nan 0.000 0.523 438 M N 2.397 122.036 119.600 0.067 0.000 2.356 438 M HA -0.040 4.451 4.480 0.017 0.000 0.348 438 M C 0.731 177.045 176.300 0.023 0.000 1.595 438 M CA 0.660 55.991 55.300 0.052 0.000 1.095 438 M CB 0.254 32.879 32.600 0.043 0.000 1.963 438 M HN 0.111 nan 8.290 nan 0.000 0.459 439 R N 4.136 124.669 120.500 0.054 0.000 2.446 439 R HA 0.254 4.605 4.340 0.017 0.000 0.254 439 R C -0.466 175.893 176.300 0.099 0.000 0.918 439 R CA -0.237 55.895 56.100 0.053 0.000 1.069 439 R CB 0.432 30.771 30.300 0.064 0.000 1.194 439 R HN 0.520 nan 8.270 nan 0.000 0.534 440 F N 1.504 121.417 119.950 -0.060 0.000 2.518 440 F HA 0.575 5.104 4.527 0.004 0.000 0.323 440 F C -1.731 174.011 175.800 -0.097 0.000 1.129 440 F CA -1.598 56.365 58.000 -0.062 0.000 0.920 440 F CB 2.100 41.082 39.000 -0.029 0.000 1.160 440 F HN -0.086 nan 8.300 nan 0.000 0.440 441 L N 6.945 127.871 121.223 -0.495 0.000 2.439 441 L HA 0.491 4.842 4.340 0.017 0.000 0.270 441 L C -1.770 174.797 176.870 -0.505 0.000 0.972 441 L CA -0.356 54.252 54.840 -0.387 0.000 0.836 441 L CB 1.532 43.345 42.059 -0.410 0.000 1.255 441 L HN 0.662 nan 8.230 nan 0.000 0.404 442 N N 5.445 123.966 118.700 -0.300 0.000 2.469 442 N HA 0.401 5.151 4.740 0.017 0.000 0.253 442 N C -0.561 174.891 175.510 -0.097 0.000 0.970 442 N CA -0.233 52.688 53.050 -0.215 0.000 0.940 442 N CB 1.065 39.540 38.487 -0.020 0.000 1.128 442 N HN 0.781 nan 8.380 nan 0.000 0.503 443 L N 1.450 122.603 121.223 -0.117 0.000 3.110 443 L HA 0.238 4.588 4.340 0.017 0.000 0.266 443 L C 0.858 177.704 176.870 -0.041 0.000 1.257 443 L CA -0.277 54.536 54.840 -0.045 0.000 1.038 443 L CB 0.216 42.230 42.059 -0.074 0.000 1.395 443 L HN 0.365 nan 8.230 nan 0.000 0.566 444 S N -0.023 115.625 115.700 -0.086 0.000 2.560 444 S HA 0.085 4.565 4.470 0.017 0.000 0.284 444 S C 0.998 175.560 174.600 -0.063 0.000 1.327 444 S CA 0.083 58.205 58.200 -0.130 0.000 1.055 444 S CB 0.362 63.447 63.200 -0.191 0.000 0.868 444 S HN 0.453 nan 8.310 nan 0.000 0.506 445 S N 2.284 117.939 115.700 -0.074 0.000 3.628 445 S HA -0.136 4.345 4.470 0.017 0.000 0.373 445 S C 0.784 175.380 174.600 -0.007 0.000 0.968 445 S CA 0.989 59.163 58.200 -0.044 0.000 1.215 445 S CB -2.343 60.826 63.200 -0.051 0.000 0.912 445 S HN 1.098 nan 8.310 nan 0.000 0.495 446 T N -2.997 111.578 114.554 0.036 0.000 3.040 446 T HA 0.512 4.872 4.350 0.017 0.000 0.266 446 T C 1.438 176.188 174.700 0.084 0.000 1.005 446 T CA 0.652 62.820 62.100 0.112 0.000 0.906 446 T CB 0.712 69.763 68.868 0.305 0.000 1.082 446 T HN 1.792 nan 8.240 nan 0.000 0.531 447 G N 2.878 111.698 108.800 0.033 0.000 2.168 447 G HA2 -0.261 3.710 3.960 0.017 0.000 0.257 447 G HA3 -0.261 3.710 3.960 0.017 0.000 0.257 447 G C 0.143 175.070 174.900 0.046 0.000 0.997 447 G CA 0.278 45.392 45.100 0.024 0.000 0.708 447 G HN 1.067 nan 8.290 nan 0.000 0.520 448 I N -3.041 117.564 120.570 0.059 0.000 2.638 448 I HA 0.585 4.766 4.170 0.017 0.000 0.286 448 I C 1.224 177.366 176.117 0.041 0.000 1.088 448 I CA -0.664 60.672 61.300 0.060 0.000 1.397 448 I CB 0.731 38.765 38.000 0.058 0.000 1.414 448 I HN -0.036 nan 8.210 nan 0.000 0.566 449 R N 3.298 123.822 120.500 0.040 0.000 2.254 449 R HA 0.407 4.757 4.340 0.017 0.000 0.193 449 R C -0.530 175.787 176.300 0.028 0.000 0.929 449 R CA 0.171 56.290 56.100 0.031 0.000 1.038 449 R CB 0.917 31.234 30.300 0.028 0.000 1.009 449 R HN 0.614 nan 8.270 nan 0.000 0.512 450 V N 0.951 120.879 119.914 0.025 0.000 2.971 450 V HA 0.298 4.428 4.120 0.017 0.000 0.309 450 V C -0.765 175.326 176.094 -0.005 0.000 1.130 450 V CA -1.180 61.123 62.300 0.006 0.000 0.964 450 V CB 2.383 34.203 31.823 -0.005 0.000 1.029 450 V HN -0.099 nan 8.190 nan 0.000 0.427 451 V N 0.754 120.639 119.914 -0.048 0.000 2.435 451 V HA 0.744 4.874 4.120 0.017 0.000 0.290 451 V C -0.451 175.569 176.094 -0.123 0.000 1.030 451 V CA -0.577 61.674 62.300 -0.082 0.000 0.881 451 V CB 1.159 32.894 31.823 -0.147 0.000 0.983 451 V HN 0.891 nan 8.190 nan 0.000 0.445 452 K N 2.010 122.367 120.400 -0.071 0.000 2.331 452 K HA 0.515 4.846 4.320 0.017 0.000 0.238 452 K C 1.010 177.589 176.600 -0.036 0.000 1.058 452 K CA -0.212 56.041 56.287 -0.057 0.000 0.871 452 K CB 1.779 34.266 32.500 -0.021 0.000 1.292 452 K HN 0.779 nan 8.250 nan 0.000 0.470 453 T N -2.589 111.954 114.554 -0.018 0.000 3.219 453 T HA -0.131 4.229 4.350 0.017 0.000 0.264 453 T C 1.713 176.447 174.700 0.057 0.000 1.178 453 T CA 0.475 62.581 62.100 0.009 0.000 1.057 453 T CB -0.957 67.919 68.868 0.013 0.000 0.919 453 T HN 0.614 nan 8.240 nan 0.000 0.545 454 c N 0.874 119.521 118.600 0.077 0.000 2.425 454 c HA 0.218 4.798 4.570 0.017 0.000 0.277 454 c C 1.255 175.507 174.090 0.270 0.000 1.280 454 c CA -0.473 55.963 56.329 0.178 0.000 1.744 454 c CB -1.217 41.392 42.510 0.164 0.000 1.989 454 c HN 0.665 nan 8.230 nan 0.000 0.491 455 I N 3.990 124.617 120.570 0.095 0.000 2.517 455 I HA 0.176 4.357 4.170 0.017 0.000 0.285 455 I C -1.660 174.442 176.117 -0.025 0.000 1.106 455 I CA -1.167 60.108 61.300 -0.041 0.000 1.402 455 I CB 0.440 38.406 38.000 -0.056 0.000 1.399 455 I HN 0.308 nan 8.210 nan 0.000 0.535 456 P HA 0.054 nan 4.420 nan 0.000 0.274 456 P C -0.496 176.778 177.300 -0.043 0.000 1.231 456 P CA -0.326 62.763 63.100 -0.019 0.000 0.790 456 P CB 0.789 32.484 31.700 -0.009 0.000 0.951 457 Q N 0.305 120.091 119.800 -0.024 0.000 2.482 457 Q HA -0.023 4.327 4.340 0.017 0.000 0.209 457 Q C 1.440 177.407 176.000 -0.055 0.000 0.961 457 Q CA 1.030 56.798 55.803 -0.057 0.000 0.945 457 Q CB -0.381 28.320 28.738 -0.062 0.000 1.012 457 Q HN 0.629 nan 8.270 nan 0.000 0.515 458 T N -2.318 112.216 114.554 -0.034 0.000 3.113 458 T HA 0.057 4.418 4.350 0.017 0.000 0.256 458 T C 0.636 175.317 174.700 -0.032 0.000 1.131 458 T CA -0.226 61.861 62.100 -0.022 0.000 1.074 458 T CB 0.047 68.915 68.868 0.001 0.000 0.944 458 T HN -0.057 nan 8.240 nan 0.000 0.516 459 L N 2.070 123.260 121.223 -0.056 0.000 2.453 459 L HA 0.280 4.631 4.340 0.017 0.000 0.272 459 L C 1.205 178.053 176.870 -0.036 0.000 1.182 459 L CA 0.668 55.471 54.840 -0.061 0.000 0.858 459 L CB 0.582 42.583 42.059 -0.097 0.000 1.120 459 L HN 0.249 nan 8.230 nan 0.000 0.474 460 E N 1.520 121.709 120.200 -0.018 0.000 2.399 460 E HA 0.191 4.551 4.350 0.017 0.000 0.205 460 E C -0.771 175.820 176.600 -0.014 0.000 0.906 460 E CA 0.146 56.546 56.400 -0.000 0.000 0.998 460 E CB 0.938 30.655 29.700 0.028 0.000 1.002 460 E HN 0.333 nan 8.360 nan 0.000 0.501 461 V N 2.044 121.931 119.914 -0.045 0.000 2.623 461 V HA 0.357 4.488 4.120 0.017 0.000 0.304 461 V C -1.323 174.593 176.094 -0.296 0.000 1.054 461 V CA -0.862 61.361 62.300 -0.128 0.000 0.882 461 V CB 2.100 33.908 31.823 -0.026 0.000 1.002 461 V HN 0.031 nan 8.190 nan 0.000 0.424 462 L N 3.975 125.037 121.223 -0.268 0.000 2.409 462 L HA 0.765 5.116 4.340 0.017 0.000 0.272 462 L C -1.223 175.493 176.870 -0.257 0.000 0.980 462 L CA 0.054 54.727 54.840 -0.278 0.000 0.826 462 L CB 1.983 43.952 42.059 -0.151 0.000 1.268 462 L HN 0.679 nan 8.230 nan 0.000 0.407 463 D N 3.836 124.064 120.400 -0.287 0.000 2.440 463 D HA 0.397 5.048 4.640 0.017 0.000 0.239 463 D C -0.181 175.989 176.300 -0.216 0.000 1.084 463 D CA -0.134 53.734 54.000 -0.220 0.000 0.843 463 D CB 1.701 42.374 40.800 -0.211 0.000 1.097 463 D HN 0.388 nan 8.370 nan 0.000 0.531 464 V N 1.704 121.497 119.914 -0.202 0.000 2.915 464 V HA 0.323 4.454 4.120 0.017 0.000 0.364 464 V C 0.564 176.541 176.094 -0.195 0.000 1.354 464 V CA -0.504 61.711 62.300 -0.141 0.000 1.213 464 V CB -0.539 31.272 31.823 -0.020 0.000 1.268 464 V HN 0.413 nan 8.190 nan 0.000 0.557 465 S N -0.056 115.416 115.700 -0.380 0.000 2.614 465 S HA 0.421 4.902 4.470 0.017 0.000 0.265 465 S C 0.611 175.035 174.600 -0.293 0.000 1.303 465 S CA 0.429 58.355 58.200 -0.456 0.000 1.000 465 S CB 0.556 63.109 63.200 -1.078 0.000 0.935 465 S HN 1.075 nan 8.310 nan 0.000 0.551 466 N N 0.572 119.145 118.700 -0.212 0.000 2.727 466 N HA -0.194 4.557 4.740 0.017 0.000 0.251 466 N C -0.788 174.672 175.510 -0.084 0.000 1.040 466 N CA 1.149 54.123 53.050 -0.127 0.000 0.712 466 N CB -1.876 36.533 38.487 -0.131 0.000 0.912 466 N HN 0.825 nan 8.380 nan 0.000 0.545 467 N N -0.516 118.146 118.700 -0.063 0.000 3.369 467 N HA 0.386 5.137 4.740 0.017 0.000 0.362 467 N C -0.347 175.155 175.510 -0.014 0.000 1.523 467 N CA -0.803 52.230 53.050 -0.029 0.000 0.684 467 N CB 0.591 39.069 38.487 -0.016 0.000 1.796 467 N HN 0.263 nan 8.380 nan 0.000 0.641 468 N N 0.325 119.027 118.700 0.003 0.000 2.541 468 N HA 0.292 5.042 4.740 0.017 0.000 0.297 468 N C -1.286 174.235 175.510 0.018 0.000 1.503 468 N CA -0.057 52.998 53.050 0.008 0.000 0.919 468 N CB 0.277 38.770 38.487 0.009 0.000 1.305 468 N HN 0.250 nan 8.380 nan 0.000 0.501 469 L N 0.368 121.607 121.223 0.026 0.000 2.349 469 L HA 0.198 4.548 4.340 0.017 0.000 0.275 469 L C 0.835 177.731 176.870 0.043 0.000 1.115 469 L CA -0.120 54.749 54.840 0.048 0.000 0.820 469 L CB 0.985 43.095 42.059 0.085 0.000 1.135 469 L HN 0.179 nan 8.230 nan 0.000 0.445 470 D N 0.333 120.758 120.400 0.042 0.000 2.392 470 D HA 0.063 4.714 4.640 0.017 0.000 0.206 470 D C 0.368 176.700 176.300 0.053 0.000 1.046 470 D CA 0.507 54.528 54.000 0.035 0.000 0.865 470 D CB 0.881 41.694 40.800 0.022 0.000 0.969 470 D HN 0.645 nan 8.370 nan 0.000 0.509 471 S N -0.835 114.912 115.700 0.078 0.000 2.611 471 S HA 0.552 5.032 4.470 0.017 0.000 0.268 471 S C -1.533 173.177 174.600 0.183 0.000 1.156 471 S CA -0.972 57.295 58.200 0.111 0.000 0.817 471 S CB 1.968 65.205 63.200 0.063 0.000 1.122 471 S HN -0.021 nan 8.310 nan 0.000 0.466 472 F N 0.896 120.881 119.950 0.058 0.000 2.617 472 F HA 0.653 5.193 4.527 0.022 0.000 0.325 472 F C -0.053 175.792 175.800 0.075 0.000 1.179 472 F CA -0.238 57.811 58.000 0.082 0.000 0.965 472 F CB 2.206 41.288 39.000 0.137 0.000 1.232 472 F HN 0.651 nan 8.300 nan 0.000 0.461 473 S N 5.313 120.839 115.700 -0.290 0.000 2.846 473 S HA 0.238 4.718 4.470 0.017 0.000 0.249 473 S C -0.680 173.788 174.600 -0.220 0.000 1.028 473 S CA -0.270 57.840 58.200 -0.149 0.000 1.043 473 S CB 0.062 63.201 63.200 -0.102 0.000 0.990 473 S HN 0.402 nan 8.310 nan 0.000 0.564 474 L N 2.493 123.429 121.223 -0.479 0.000 2.313 474 L HA 0.449 4.800 4.340 0.017 0.000 0.282 474 L C -0.473 176.429 176.870 0.053 0.000 1.092 474 L CA -0.373 54.313 54.840 -0.257 0.000 0.831 474 L CB 0.027 41.815 42.059 -0.453 0.000 1.159 474 L HN 0.353 nan 8.230 nan 0.000 0.442 475 F N 6.332 126.226 119.950 -0.092 0.000 2.438 475 F HA 0.380 4.918 4.527 0.019 0.000 0.360 475 F C -0.470 175.331 175.800 0.002 0.000 1.118 475 F CA -0.478 57.475 58.000 -0.079 0.000 1.164 475 F CB 0.244 39.197 39.000 -0.079 0.000 1.131 475 F HN 0.282 nan 8.300 nan 0.000 0.527 476 L N 9.819 130.863 121.223 -0.298 0.000 2.445 476 L HA 0.269 4.619 4.340 0.017 0.000 0.252 476 L C -1.529 175.095 176.870 -0.409 0.000 1.105 476 L CA -1.618 53.064 54.840 -0.263 0.000 0.943 476 L CB 1.139 43.235 42.059 0.062 0.000 1.277 476 L HN 0.504 nan 8.230 nan 0.000 0.465 477 P HA -0.193 nan 4.420 nan 0.000 0.218 477 P C 0.878 178.070 177.300 -0.180 0.000 1.146 477 P CA 1.364 64.127 63.100 -0.561 0.000 0.813 477 P CB 0.255 31.609 31.700 -0.577 0.000 0.778 478 R N -1.537 118.885 120.500 -0.129 0.000 2.397 478 R HA 0.214 4.565 4.340 0.017 0.000 0.241 478 R C 0.578 176.873 176.300 -0.009 0.000 0.914 478 R CA -0.729 55.344 56.100 -0.045 0.000 1.071 478 R CB -0.173 30.104 30.300 -0.038 0.000 1.116 478 R HN 0.120 nan 8.270 nan 0.000 0.524 479 L N 2.006 123.233 121.223 0.006 0.000 2.559 479 L HA -0.084 4.267 4.340 0.017 0.000 0.274 479 L C 0.949 177.838 176.870 0.031 0.000 1.205 479 L CA 1.074 55.934 54.840 0.032 0.000 0.907 479 L CB 0.665 42.788 42.059 0.105 0.000 1.153 479 L HN 0.136 nan 8.230 nan 0.000 0.490 480 Q N 2.656 122.458 119.800 0.003 0.000 2.402 480 Q HA 0.190 4.541 4.340 0.017 0.000 0.231 480 Q C -0.134 175.847 176.000 -0.031 0.000 0.888 480 Q CA 0.257 56.063 55.803 0.004 0.000 0.938 480 Q CB 0.900 29.649 28.738 0.017 0.000 1.086 480 Q HN 0.688 nan 8.270 nan 0.000 0.543 481 E N 0.856 121.017 120.200 -0.066 0.000 2.278 481 E HA 0.395 4.755 4.350 0.017 0.000 0.272 481 E C -2.034 174.457 176.600 -0.183 0.000 0.890 481 E CA -0.556 55.777 56.400 -0.112 0.000 0.770 481 E CB 1.711 31.367 29.700 -0.073 0.000 1.212 481 E HN -0.050 nan 8.360 nan 0.000 0.415 482 L N 5.526 126.594 121.223 -0.259 0.000 2.349 482 L HA 0.437 4.788 4.340 0.017 0.000 0.278 482 L C -2.006 174.730 176.870 -0.223 0.000 0.996 482 L CA -0.507 54.138 54.840 -0.326 0.000 0.825 482 L CB 1.383 43.082 42.059 -0.600 0.000 1.243 482 L HN 0.646 nan 8.230 nan 0.000 0.412 483 Y N 6.551 126.654 120.300 -0.329 0.000 2.345 483 Y HA 0.504 5.064 4.550 0.016 0.000 0.331 483 Y C -0.011 175.731 175.900 -0.264 0.000 0.959 483 Y CA -0.753 57.167 58.100 -0.301 0.000 1.204 483 Y CB 1.533 39.822 38.460 -0.285 0.000 1.135 483 Y HN 0.708 nan 8.280 nan 0.000 0.477 484 I N 4.335 124.925 120.570 0.032 0.000 3.597 484 I HA 0.182 4.363 4.170 0.017 0.000 0.323 484 I C -0.543 175.548 176.117 -0.043 0.000 1.535 484 I CA 0.139 61.383 61.300 -0.094 0.000 1.028 484 I CB 0.112 38.019 38.000 -0.155 0.000 1.354 484 I HN 0.383 nan 8.210 nan 0.000 0.544 485 S N 1.136 116.851 115.700 0.025 0.000 2.593 485 S HA 0.352 4.832 4.470 0.017 0.000 0.269 485 S C 0.358 174.926 174.600 -0.052 0.000 1.334 485 S CA -0.173 58.047 58.200 0.033 0.000 1.015 485 S CB 0.589 63.907 63.200 0.197 0.000 0.912 485 S HN 0.479 nan 8.310 nan 0.000 0.541 486 R N 0.867 121.353 120.500 -0.023 0.000 3.209 486 R HA -0.180 4.171 4.340 0.017 0.000 0.252 486 R C -0.803 175.471 176.300 -0.043 0.000 0.958 486 R CA 0.324 56.404 56.100 -0.032 0.000 0.651 486 R CB -2.173 28.101 30.300 -0.043 0.000 1.142 486 R HN 0.663 nan 8.270 nan 0.000 0.441 487 N N -0.461 118.222 118.700 -0.030 0.000 3.439 487 N HA 0.361 5.111 4.740 0.017 0.000 0.343 487 N C -0.427 175.075 175.510 -0.014 0.000 1.597 487 N CA -0.971 52.068 53.050 -0.019 0.000 0.733 487 N CB 1.010 39.492 38.487 -0.008 0.000 1.973 487 N HN 0.047 nan 8.380 nan 0.000 0.646 488 K N 0.523 120.921 120.400 -0.003 0.000 2.758 488 K HA 0.346 4.677 4.320 0.017 0.000 0.208 488 K C -1.012 175.586 176.600 -0.003 0.000 1.091 488 K CA -0.290 55.992 56.287 -0.008 0.000 1.059 488 K CB 0.179 32.676 32.500 -0.004 0.000 0.801 488 K HN 0.198 nan 8.250 nan 0.000 0.470 489 L N 1.490 122.716 121.223 0.004 0.000 2.410 489 L HA 0.044 4.394 4.340 0.017 0.000 0.273 489 L C 1.149 178.012 176.870 -0.012 0.000 1.152 489 L CA 0.829 55.679 54.840 0.017 0.000 0.855 489 L CB 0.533 42.617 42.059 0.042 0.000 1.129 489 L HN 0.056 nan 8.230 nan 0.000 0.463 490 K N 0.817 121.215 120.400 -0.003 0.000 2.355 490 K HA 0.228 4.559 4.320 0.017 0.000 0.198 490 K C -0.294 176.305 176.600 -0.001 0.000 1.039 490 K CA 0.196 56.471 56.287 -0.020 0.000 1.075 490 K CB 0.577 33.069 32.500 -0.014 0.000 0.870 490 K HN 0.620 nan 8.250 nan 0.000 0.540 491 T N 1.173 115.742 114.554 0.025 0.000 2.921 491 T HA 0.241 4.602 4.350 0.017 0.000 0.297 491 T C -1.065 173.679 174.700 0.074 0.000 1.013 491 T CA -0.732 61.395 62.100 0.044 0.000 0.990 491 T CB 2.017 70.908 68.868 0.038 0.000 1.023 491 T HN -0.067 nan 8.240 nan 0.000 0.447 492 L N 6.188 127.465 121.223 0.089 0.000 2.490 492 L HA 0.332 4.682 4.340 0.017 0.000 0.274 492 L C -1.788 175.162 176.870 0.134 0.000 1.201 492 L CA -1.033 53.881 54.840 0.123 0.000 0.869 492 L CB 0.088 42.215 42.059 0.113 0.000 1.123 492 L HN 0.379 nan 8.230 nan 0.000 0.484 493 P HA -0.020 nan 4.420 nan 0.000 0.269 493 P C -0.801 176.632 177.300 0.223 0.000 1.209 493 P CA -0.364 62.898 63.100 0.270 0.000 0.776 493 P CB 0.429 32.414 31.700 0.476 0.000 0.876 494 D N 1.458 121.926 120.400 0.113 0.000 2.533 494 D HA -0.028 4.623 4.640 0.017 0.000 0.236 494 D C 1.413 177.734 176.300 0.036 0.000 1.137 494 D CA 0.301 54.318 54.000 0.028 0.000 0.867 494 D CB 0.968 41.745 40.800 -0.037 0.000 1.170 494 D HN 0.346 nan 8.370 nan 0.000 0.474 495 A N 3.243 126.096 122.820 0.055 0.000 1.978 495 A HA -0.197 4.134 4.320 0.017 0.000 0.220 495 A C 2.126 179.748 177.584 0.065 0.000 1.170 495 A CA 1.916 54.025 52.037 0.121 0.000 0.636 495 A CB -0.492 18.545 19.000 0.061 0.000 0.810 495 A HN 0.651 nan 8.150 nan 0.000 0.448 496 S N -0.164 115.524 115.700 -0.020 0.000 2.507 496 S HA 0.006 4.486 4.470 0.017 0.000 0.235 496 S C 1.557 176.130 174.600 -0.045 0.000 0.988 496 S CA 1.115 59.296 58.200 -0.032 0.000 0.944 496 S CB -0.614 62.536 63.200 -0.083 0.000 0.762 496 S HN 0.489 nan 8.310 nan 0.000 0.526 497 L N -0.525 120.546 121.223 -0.255 0.000 2.313 497 L HA 0.214 4.565 4.340 0.017 0.000 0.214 497 L C -0.130 176.432 176.870 -0.512 0.000 1.119 497 L CA 0.592 55.182 54.840 -0.416 0.000 0.809 497 L CB -0.266 41.214 42.059 -0.964 0.000 0.933 497 L HN 0.345 nan 8.230 nan 0.000 0.449 498 F N -1.142 118.931 119.950 0.205 0.000 2.769 498 F HA 0.332 4.874 4.527 0.024 0.000 0.358 498 F C -1.664 174.202 175.800 0.110 0.000 1.285 498 F CA -1.826 56.245 58.000 0.118 0.000 1.199 498 F CB 0.053 39.096 39.000 0.072 0.000 1.558 498 F HN -0.208 nan 8.300 nan 0.000 0.583 499 P HA -0.135 nan 4.420 nan 0.000 0.225 499 P C 0.857 178.246 177.300 0.148 0.000 1.148 499 P CA 1.257 64.464 63.100 0.179 0.000 0.779 499 P CB 0.382 32.184 31.700 0.170 0.000 0.780 500 V N -4.215 115.783 119.914 0.140 0.000 3.078 500 V HA 0.319 4.450 4.120 0.017 0.000 0.344 500 V C 0.315 176.468 176.094 0.098 0.000 1.409 500 V CA -1.045 61.317 62.300 0.103 0.000 1.146 500 V CB -0.651 31.215 31.823 0.072 0.000 1.126 500 V HN -0.174 nan 8.190 nan 0.000 0.513 501 L N 1.306 122.607 121.223 0.130 0.000 2.499 501 L HA 0.308 4.658 4.340 0.017 0.000 0.273 501 L C 0.954 177.858 176.870 0.057 0.000 1.195 501 L CA 0.859 55.745 54.840 0.076 0.000 0.882 501 L CB 0.853 42.947 42.059 0.058 0.000 1.133 501 L HN 0.329 nan 8.230 nan 0.000 0.483 502 L N 4.628 125.869 121.223 0.031 0.000 2.425 502 L HA 0.265 4.615 4.340 0.017 0.000 0.215 502 L C -0.239 176.656 176.870 0.042 0.000 1.065 502 L CA 0.002 54.866 54.840 0.041 0.000 0.842 502 L CB 0.178 42.259 42.059 0.037 0.000 1.033 502 L HN 0.347 nan 8.230 nan 0.000 0.474 503 V N 0.850 120.771 119.914 0.013 0.000 2.686 503 V HA 0.408 4.538 4.120 0.017 0.000 0.306 503 V C -0.710 175.356 176.094 -0.048 0.000 1.065 503 V CA -0.329 61.992 62.300 0.035 0.000 0.894 503 V CB 2.487 34.335 31.823 0.041 0.000 1.004 503 V HN 0.130 nan 8.190 nan 0.000 0.424 504 M N 5.054 124.658 119.600 0.006 0.000 2.204 504 M HA 0.573 5.064 4.480 0.017 0.000 0.293 504 M C -1.414 174.896 176.300 0.017 0.000 0.994 504 M CA -0.518 54.734 55.300 -0.079 0.000 0.925 504 M CB 1.659 34.204 32.600 -0.090 0.000 1.577 504 M HN 0.562 nan 8.290 nan 0.000 0.439 505 K N 6.132 126.461 120.400 -0.118 0.000 2.367 505 K HA 0.478 4.808 4.320 0.017 0.000 0.263 505 K C -0.586 176.003 176.600 -0.020 0.000 1.000 505 K CA -0.290 55.910 56.287 -0.146 0.000 0.891 505 K CB 1.965 34.049 32.500 -0.694 0.000 1.117 505 K HN 0.787 nan 8.250 nan 0.000 0.443 506 I N 2.242 122.839 120.570 0.044 0.000 3.114 506 I HA 0.003 4.183 4.170 0.017 0.000 0.326 506 I C -0.121 176.019 176.117 0.038 0.000 1.510 506 I CA -0.106 61.221 61.300 0.045 0.000 0.918 506 I CB 0.417 38.461 38.000 0.072 0.000 1.561 506 I HN 0.582 nan 8.210 nan 0.000 0.565 507 S N 0.628 116.316 115.700 -0.021 0.000 2.634 507 S HA 0.434 4.915 4.470 0.017 0.000 0.261 507 S C 0.710 175.288 174.600 -0.037 0.000 1.271 507 S CA -0.408 57.722 58.200 -0.115 0.000 0.985 507 S CB 0.754 63.646 63.200 -0.513 0.000 0.968 507 S HN 0.526 nan 8.310 nan 0.000 0.568 508 R N 0.525 121.020 120.500 -0.008 0.000 3.251 508 R HA -0.191 4.159 4.340 0.017 0.000 0.249 508 R C -0.710 175.575 176.300 -0.025 0.000 0.949 508 R CA 0.719 56.824 56.100 0.009 0.000 0.645 508 R CB -2.528 27.798 30.300 0.044 0.000 1.065 508 R HN 0.730 nan 8.270 nan 0.000 0.452 509 N N -0.120 118.543 118.700 -0.062 0.000 3.357 509 N HA 0.270 5.020 4.740 0.017 0.000 0.359 509 N C -0.075 175.367 175.510 -0.113 0.000 1.477 509 N CA -0.666 52.343 53.050 -0.069 0.000 0.645 509 N CB 0.572 39.024 38.487 -0.058 0.000 1.703 509 N HN 0.153 nan 8.380 nan 0.000 0.597 510 Q N 0.337 120.061 119.800 -0.128 0.000 2.144 510 Q HA 0.379 4.729 4.340 0.017 0.000 0.305 510 Q C -1.018 174.855 176.000 -0.212 0.000 0.876 510 Q CA -0.108 55.604 55.803 -0.151 0.000 1.130 510 Q CB 0.452 29.139 28.738 -0.086 0.000 1.267 510 Q HN 0.305 nan 8.270 nan 0.000 0.433 511 L N 0.838 121.853 121.223 -0.347 0.000 2.410 511 L HA 0.155 4.505 4.340 0.017 0.000 0.273 511 L C 1.069 177.572 176.870 -0.611 0.000 1.144 511 L CA 0.361 54.936 54.840 -0.442 0.000 0.863 511 L CB 0.578 42.297 42.059 -0.566 0.000 1.140 511 L HN 0.140 nan 8.230 nan 0.000 0.463 512 K N 1.061 121.323 120.400 -0.231 0.000 2.399 512 K HA 0.151 4.481 4.320 0.017 0.000 0.196 512 K C 0.222 176.980 176.600 0.264 0.000 1.103 512 K CA 0.186 56.446 56.287 -0.045 0.000 0.986 512 K CB 0.845 33.345 32.500 0.000 0.000 0.952 512 K HN 0.786 nan 8.250 nan 0.000 0.541 513 S N -0.553 115.335 115.700 0.314 0.000 2.636 513 S HA 0.554 5.035 4.470 0.017 0.000 0.268 513 S C -1.052 173.768 174.600 0.367 0.000 1.159 513 S CA -0.885 57.558 58.200 0.405 0.000 0.815 513 S CB 1.550 64.874 63.200 0.207 0.000 1.130 513 S HN -0.047 nan 8.310 nan 0.000 0.471 514 V N -2.380 117.670 119.914 0.227 0.000 3.007 514 V HA 0.862 4.993 4.120 0.017 0.000 0.311 514 V C -3.283 172.790 176.094 -0.035 0.000 1.120 514 V CA -2.321 60.019 62.300 0.067 0.000 0.980 514 V CB 0.663 32.449 31.823 -0.062 0.000 1.033 514 V HN 0.823 nan 8.190 nan 0.000 0.429 515 P HA 0.282 nan 4.420 nan 0.000 0.271 515 P C -0.843 176.259 177.300 -0.330 0.000 1.216 515 P CA 0.061 63.058 63.100 -0.173 0.000 0.776 515 P CB 0.227 31.825 31.700 -0.169 0.000 0.881 516 D N 1.565 121.762 120.400 -0.338 0.000 2.488 516 D HA 0.191 4.841 4.640 0.017 0.000 0.238 516 D C 1.616 177.389 176.300 -0.879 0.000 1.138 516 D CA 1.521 55.135 54.000 -0.643 0.000 0.873 516 D CB 0.157 40.756 40.800 -0.335 0.000 1.183 516 D HN 0.679 nan 8.370 nan 0.000 0.458 517 G N 2.203 109.939 108.800 -1.774 0.000 2.189 517 G HA2 -0.372 3.598 3.960 0.017 0.000 0.267 517 G HA3 -0.372 3.598 3.960 0.017 0.000 0.267 517 G C 1.113 175.736 174.900 -0.462 0.000 0.975 517 G CA 0.469 45.023 45.100 -0.910 0.000 0.644 517 G HN 0.594 nan 8.290 nan 0.000 0.537 518 I N -0.428 119.805 120.570 -0.561 0.000 2.208 518 I HA -0.083 4.098 4.170 0.017 0.000 0.245 518 I C 2.461 178.404 176.117 -0.291 0.000 1.097 518 I CA 1.947 63.005 61.300 -0.404 0.000 1.363 518 I CB -0.139 37.540 38.000 -0.535 0.000 1.051 518 I HN 0.319 nan 8.210 nan 0.000 0.413 519 F N 0.392 120.232 119.950 -0.182 0.000 2.407 519 F HA -0.178 4.362 4.527 0.021 0.000 0.299 519 F C 2.026 177.792 175.800 -0.058 0.000 1.097 519 F CA 0.522 58.284 58.000 -0.396 0.000 1.422 519 F CB -0.263 37.859 39.000 -1.464 0.000 1.067 519 F HN 0.138 nan 8.300 nan 0.000 0.539 520 D N 0.139 120.693 120.400 0.256 0.000 2.363 520 D HA -0.040 4.610 4.640 0.017 0.000 0.220 520 D C 1.802 178.214 176.300 0.187 0.000 0.994 520 D CA 0.534 54.727 54.000 0.322 0.000 0.890 520 D CB -0.109 40.887 40.800 0.325 0.000 0.906 520 D HN 0.392 nan 8.370 nan 0.000 0.530 521 R N -0.027 120.545 120.500 0.119 0.000 2.300 521 R HA 0.086 4.436 4.340 0.017 0.000 0.199 521 R C 0.076 176.453 176.300 0.127 0.000 0.920 521 R CA -0.114 56.040 56.100 0.089 0.000 1.046 521 R CB 0.476 30.794 30.300 0.031 0.000 0.984 521 R HN -0.060 nan 8.270 nan 0.000 0.493 522 L N 2.143 123.468 121.223 0.169 0.000 2.422 522 L HA 0.085 4.436 4.340 0.017 0.000 0.256 522 L C 1.321 178.298 176.870 0.179 0.000 1.202 522 L CA 0.457 55.410 54.840 0.188 0.000 1.119 522 L CB 0.497 42.684 42.059 0.214 0.000 1.383 522 L HN 0.098 nan 8.230 nan 0.000 0.411 523 T N -4.096 110.546 114.554 0.148 0.000 3.025 523 T HA -0.079 4.282 4.350 0.017 0.000 0.270 523 T C 1.343 176.111 174.700 0.113 0.000 1.126 523 T CA 1.218 63.395 62.100 0.129 0.000 1.105 523 T CB 0.013 68.944 68.868 0.104 0.000 0.884 523 T HN 0.350 nan 8.240 nan 0.000 0.522 524 S N 0.131 115.899 115.700 0.113 0.000 2.603 524 S HA 0.379 4.859 4.470 0.017 0.000 0.232 524 S C 0.216 174.871 174.600 0.091 0.000 1.016 524 S CA -0.686 57.568 58.200 0.090 0.000 0.976 524 S CB -0.015 63.233 63.200 0.079 0.000 0.921 524 S HN 0.404 nan 8.310 nan 0.000 0.516 525 L N 2.748 124.042 121.223 0.119 0.000 2.601 525 L HA 0.027 4.378 4.340 0.017 0.000 0.277 525 L C 0.922 177.850 176.870 0.096 0.000 1.219 525 L CA 1.198 56.108 54.840 0.118 0.000 0.915 525 L CB 0.426 42.586 42.059 0.168 0.000 1.160 525 L HN 0.171 nan 8.230 nan 0.000 0.494 526 Q N 3.129 122.970 119.800 0.068 0.000 2.471 526 Q HA 0.266 4.616 4.340 0.017 0.000 0.241 526 Q C -0.349 175.659 176.000 0.014 0.000 0.886 526 Q CA 0.333 56.158 55.803 0.037 0.000 0.953 526 Q CB 0.769 29.526 28.738 0.032 0.000 1.108 526 Q HN 0.574 nan 8.270 nan 0.000 0.575 527 K N 0.489 120.912 120.400 0.039 0.000 2.498 527 K HA 0.583 4.914 4.320 0.017 0.000 0.254 527 K C -1.619 175.019 176.600 0.063 0.000 0.933 527 K CA -0.447 55.833 56.287 -0.012 0.000 0.806 527 K CB 2.956 35.464 32.500 0.013 0.000 1.301 527 K HN -0.055 nan 8.250 nan 0.000 0.432 528 I N 1.186 121.719 120.570 -0.061 0.000 2.692 528 I HA 0.403 4.583 4.170 0.017 0.000 0.293 528 I C -1.486 174.620 176.117 -0.019 0.000 1.200 528 I CA -0.567 60.767 61.300 0.057 0.000 1.036 528 I CB 1.574 39.525 38.000 -0.081 0.000 1.258 528 I HN 0.649 nan 8.210 nan 0.000 0.421 529 W N 8.351 129.591 121.300 -0.100 0.000 2.294 529 W HA 0.404 5.064 4.660 0.000 0.000 0.314 529 W C -0.230 176.227 176.519 -0.103 0.000 1.044 529 W CA -0.489 56.794 57.345 -0.104 0.000 1.284 529 W CB 1.685 31.039 29.460 -0.176 0.000 1.231 529 W HN 0.458 nan 8.180 nan 0.000 0.419 530 L N 2.916 124.217 121.223 0.130 0.000 2.966 530 L HA 0.021 4.372 4.340 0.017 0.000 0.262 530 L C 0.860 177.957 176.870 0.377 0.000 1.165 530 L CA -0.328 54.669 54.840 0.262 0.000 0.978 530 L CB -0.189 42.006 42.059 0.227 0.000 1.337 530 L HN 0.415 nan 8.230 nan 0.000 0.563 531 H N -1.908 117.344 119.070 0.304 0.000 2.730 531 H HA 0.144 4.707 4.556 0.012 0.000 0.376 531 H C 0.482 175.940 175.328 0.216 0.000 1.299 531 H CA 0.068 56.278 56.048 0.270 0.000 1.447 531 H CB -0.039 29.829 29.762 0.176 0.000 1.493 531 H HN 0.036 nan 8.280 nan 0.000 0.619 532 T N 0.070 114.856 114.554 0.387 0.000 4.039 532 T HA -0.243 4.117 4.350 0.017 0.000 0.352 532 T C -0.750 173.974 174.700 0.040 0.000 0.756 532 T CA 1.137 63.367 62.100 0.217 0.000 1.923 532 T CB -2.388 66.646 68.868 0.276 0.000 1.848 532 T HN 0.931 nan 8.240 nan 0.000 0.835 533 N N 1.126 119.782 118.700 -0.074 0.000 2.240 533 N HA 0.467 5.218 4.740 0.017 0.000 0.302 533 N C -2.675 172.540 175.510 -0.491 0.000 1.106 533 N CA -2.029 50.764 53.050 -0.429 0.000 0.778 533 N CB 2.017 39.957 38.487 -0.912 0.000 1.431 533 N HN -0.071 nan 8.380 nan 0.000 0.479 534 P HA 0.051 nan 4.420 nan 0.000 0.226 534 P C -0.982 176.211 177.300 -0.178 0.000 1.783 534 P CA -0.202 62.773 63.100 -0.208 0.000 0.980 534 P CB -0.586 31.034 31.700 -0.134 0.000 1.967 535 W N 1.335 122.669 121.300 0.057 0.000 2.322 535 W HA 0.024 4.693 4.660 0.014 0.000 0.328 535 W C 0.992 177.541 176.519 0.050 0.000 1.395 535 W CA -0.372 57.009 57.345 0.059 0.000 1.267 535 W CB 0.191 29.692 29.460 0.069 0.000 1.259 535 W HN 0.235 nan 8.180 nan 0.000 0.560 536 D N 3.920 124.500 120.400 0.300 0.000 2.393 536 D HA 0.096 4.747 4.640 0.017 0.000 0.232 536 D C -0.090 176.317 176.300 0.178 0.000 1.192 536 D CA -0.371 53.739 54.000 0.183 0.000 0.882 536 D CB 0.422 41.303 40.800 0.136 0.000 1.038 536 D HN 0.346 nan 8.370 nan 0.000 0.499 537 c N 3.524 122.212 118.600 0.146 0.000 2.377 537 c HA 0.143 4.724 4.570 0.017 0.000 0.341 537 c C 0.879 175.015 174.090 0.077 0.000 1.304 537 c CA -0.411 55.983 56.329 0.109 0.000 1.690 537 c CB -2.385 40.182 42.510 0.095 0.000 1.808 537 c HN 0.620 nan 8.230 nan 0.000 0.592 538 S N -1.095 114.651 115.700 0.076 0.000 2.549 538 S HA 0.058 4.538 4.470 0.017 0.000 0.283 538 S C 1.006 175.640 174.600 0.055 0.000 1.320 538 S CA -0.416 57.818 58.200 0.058 0.000 1.058 538 S CB 0.668 63.900 63.200 0.054 0.000 0.882 538 S HN 0.553 nan 8.310 nan 0.000 0.498 539 c N 3.111 121.738 118.600 0.044 0.000 2.425 539 c HA 0.065 4.645 4.570 0.017 0.000 0.277 539 c C -0.851 173.266 174.090 0.044 0.000 1.280 539 c CA 0.511 56.865 56.329 0.042 0.000 1.744 539 c CB -1.697 40.833 42.510 0.032 0.000 1.989 539 c HN 0.779 nan 8.230 nan 0.000 0.491 540 P HA 0.062 nan 4.420 nan 0.000 0.271 540 P C 0.793 178.121 177.300 0.047 0.000 1.535 540 P CA 0.956 64.080 63.100 0.039 0.000 0.820 540 P CB -0.267 31.451 31.700 0.032 0.000 1.606 541 R N -1.132 119.403 120.500 0.059 0.000 3.071 541 R HA 0.183 4.534 4.340 0.017 0.000 0.138 541 R C 1.230 177.585 176.300 0.091 0.000 0.826 541 R CA -0.065 56.078 56.100 0.072 0.000 1.659 541 R CB -0.336 30.008 30.300 0.073 0.000 1.678 541 R HN 0.002 nan 8.270 nan 0.000 0.514 542 I N 2.407 123.027 120.570 0.084 0.000 3.564 542 I HA -0.004 4.177 4.170 0.017 0.000 0.294 542 I C 1.194 177.348 176.117 0.062 0.000 1.289 542 I CA 0.840 62.186 61.300 0.078 0.000 1.325 542 I CB 0.057 38.097 38.000 0.066 0.000 1.039 542 I HN 0.210 nan 8.210 nan 0.000 0.474 543 D N 0.158 120.603 120.400 0.075 0.000 2.127 543 D HA -0.355 4.296 4.640 0.017 0.000 0.190 543 D C 2.081 178.436 176.300 0.092 0.000 1.000 543 D CA 1.988 56.032 54.000 0.074 0.000 0.839 543 D CB -0.294 40.554 40.800 0.081 0.000 0.955 543 D HN 0.473 nan 8.370 nan 0.000 0.446 544 Y N 0.334 120.657 120.300 0.038 0.000 2.097 544 Y HA -0.161 4.400 4.550 0.017 0.000 0.282 544 Y C 2.098 178.062 175.900 0.107 0.000 1.152 544 Y CA 1.584 59.721 58.100 0.061 0.000 1.136 544 Y CB -0.812 37.664 38.460 0.026 0.000 0.975 544 Y HN 0.121 nan 8.280 nan 0.000 0.498 545 L N 0.461 121.622 121.223 -0.104 0.000 2.017 545 L HA -0.187 4.163 4.340 0.017 0.000 0.208 545 L C 2.669 179.465 176.870 -0.124 0.000 1.073 545 L CA 2.409 57.153 54.840 -0.160 0.000 0.745 545 L CB -1.334 40.656 42.059 -0.115 0.000 0.894 545 L HN 0.479 nan 8.230 nan 0.000 0.432 546 S N -0.751 114.894 115.700 -0.090 0.000 2.368 546 S HA -0.232 4.249 4.470 0.017 0.000 0.225 546 S C 2.130 176.684 174.600 -0.077 0.000 1.030 546 S CA 1.203 59.358 58.200 -0.075 0.000 0.999 546 S CB -0.700 62.474 63.200 -0.043 0.000 0.844 546 S HN 0.513 nan 8.310 nan 0.000 0.459 547 R N -0.516 119.937 120.500 -0.078 0.000 2.092 547 R HA -0.010 4.341 4.340 0.017 0.000 0.231 547 R C 2.100 178.333 176.300 -0.110 0.000 1.119 547 R CA 1.420 57.473 56.100 -0.077 0.000 0.970 547 R CB -0.389 29.891 30.300 -0.033 0.000 0.864 547 R HN 0.630 nan 8.270 nan 0.000 0.440 548 W N 1.285 122.371 121.300 -0.356 0.000 2.381 548 W HA -0.100 4.568 4.660 0.013 0.000 0.301 548 W C 1.519 177.906 176.519 -0.221 0.000 1.205 548 W CA 1.174 58.324 57.345 -0.325 0.000 1.285 548 W CB -0.192 28.972 29.460 -0.492 0.000 1.133 548 W HN -0.052 nan 8.180 nan 0.000 0.521 549 L N 0.587 121.792 121.223 -0.030 0.000 2.131 549 L HA -0.244 4.106 4.340 0.017 0.000 0.210 549 L C 1.814 178.524 176.870 -0.266 0.000 1.092 549 L CA 1.748 56.494 54.840 -0.156 0.000 0.759 549 L CB -0.917 41.100 42.059 -0.070 0.000 0.903 549 L HN 0.062 nan 8.230 nan 0.000 0.435 550 N N -0.288 118.284 118.700 -0.213 0.000 2.331 550 N HA -0.119 4.632 4.740 0.017 0.000 0.180 550 N C 1.426 176.793 175.510 -0.237 0.000 1.019 550 N CA 0.792 53.728 53.050 -0.190 0.000 0.881 550 N CB 0.132 38.542 38.487 -0.129 0.000 0.972 550 N HN 0.240 nan 8.380 nan 0.000 0.435 551 K N -0.199 120.007 120.400 -0.323 0.000 2.393 551 K HA 0.197 4.527 4.320 0.017 0.000 0.193 551 K C -0.036 176.281 176.600 -0.472 0.000 1.026 551 K CA 0.314 56.400 56.287 -0.335 0.000 1.064 551 K CB 0.473 32.797 32.500 -0.294 0.000 0.833 551 K HN 0.191 nan 8.250 nan 0.000 0.521 552 N N 0.474 118.779 118.700 -0.658 0.000 2.517 552 N HA 0.001 4.752 4.740 0.017 0.000 0.285 552 N C 0.574 175.767 175.510 -0.528 0.000 1.528 552 N CA 0.110 52.711 53.050 -0.748 0.000 0.892 552 N CB 1.300 38.865 38.487 -1.537 0.000 1.356 552 N HN 0.036 nan 8.380 nan 0.000 0.495 553 S N 0.849 116.334 115.700 -0.358 0.000 2.402 553 S HA -0.322 4.158 4.470 0.017 0.000 0.233 553 S C 1.964 176.428 174.600 -0.227 0.000 1.030 553 S CA 1.360 59.406 58.200 -0.256 0.000 1.003 553 S CB -0.287 62.798 63.200 -0.192 0.000 0.813 553 S HN 0.535 nan 8.310 nan 0.000 0.477 554 Q N 1.739 121.407 119.800 -0.219 0.000 2.124 554 Q HA -0.068 4.283 4.340 0.017 0.000 0.202 554 Q C 1.996 177.883 176.000 -0.189 0.000 0.977 554 Q CA 1.380 57.076 55.803 -0.179 0.000 0.850 554 Q CB -0.505 28.142 28.738 -0.151 0.000 0.901 554 Q HN 0.548 nan 8.270 nan 0.000 0.429 555 K N 0.945 121.217 120.400 -0.214 0.000 2.155 555 K HA -0.040 4.290 4.320 0.017 0.000 0.203 555 K C 0.587 177.061 176.600 -0.209 0.000 1.052 555 K CA 0.586 56.769 56.287 -0.173 0.000 0.948 555 K CB 0.038 32.473 32.500 -0.109 0.000 0.728 555 K HN 0.340 nan 8.250 nan 0.000 0.448 556 E N 1.960 122.028 120.200 -0.221 0.000 2.344 556 E HA -0.040 4.320 4.350 0.017 0.000 0.270 556 E C -0.654 175.738 176.600 -0.347 0.000 1.021 556 E CA -0.152 56.106 56.400 -0.236 0.000 0.887 556 E CB 0.576 30.180 29.700 -0.161 0.000 0.997 556 E HN -0.003 nan 8.360 nan 0.000 0.429 557 Q N 2.539 122.009 119.800 -0.550 0.000 2.347 557 Q HA 0.432 4.783 4.340 0.017 0.000 0.262 557 Q C 0.251 176.030 176.000 -0.368 0.000 0.980 557 Q CA -0.061 55.302 55.803 -0.733 0.000 0.867 557 Q CB 1.526 29.150 28.738 -1.856 0.000 1.242 557 Q HN 0.870 nan 8.270 nan 0.000 0.453 558 G N 2.109 110.798 108.800 -0.185 0.000 2.725 558 G HA2 -0.170 3.801 3.960 0.017 0.000 0.220 558 G HA3 -0.170 3.801 3.960 0.017 0.000 0.220 558 G C -0.765 174.122 174.900 -0.022 0.000 1.357 558 G CA -0.333 44.732 45.100 -0.059 0.000 0.866 558 G HN 1.024 nan 8.290 nan 0.000 0.548 559 S N -0.845 114.868 115.700 0.022 0.000 2.647 559 S HA 0.847 5.328 4.470 0.017 0.000 0.300 559 S C 0.079 174.752 174.600 0.123 0.000 1.129 559 S CA 0.602 58.823 58.200 0.034 0.000 1.029 559 S CB 1.681 64.877 63.200 -0.006 0.000 1.007 559 S HN 2.409 nan 8.310 nan 0.000 0.484 560 A N 3.747 126.636 122.820 0.115 0.000 2.488 560 A HA 0.544 4.874 4.320 0.017 0.000 0.249 560 A C 0.164 177.851 177.584 0.171 0.000 1.083 560 A CA -0.217 51.940 52.037 0.200 0.000 0.768 560 A CB 0.076 19.047 19.000 -0.048 0.000 1.017 560 A HN 0.851 nan 8.150 nan 0.000 0.496 561 K N 1.236 121.817 120.400 0.301 0.000 2.328 561 K HA 0.459 4.790 4.320 0.017 0.000 0.246 561 K C -1.018 175.754 176.600 0.285 0.000 0.955 561 K CA -0.680 55.736 56.287 0.214 0.000 0.817 561 K CB 1.890 34.481 32.500 0.151 0.000 1.208 561 K HN 0.705 nan 8.250 nan 0.000 0.432 562 c N 2.075 120.789 118.600 0.190 0.000 2.644 562 c HA 0.110 4.691 4.570 0.017 0.000 0.417 562 c C 1.003 175.182 174.090 0.148 0.000 1.304 562 c CA -0.659 55.784 56.329 0.189 0.000 2.035 562 c CB -0.330 42.253 42.510 0.122 0.000 2.673 562 c HN 0.838 nan 8.230 nan 0.000 0.602 563 S N 2.519 118.302 115.700 0.139 0.000 2.533 563 S HA 0.489 4.969 4.470 0.017 0.000 0.282 563 S C 0.933 175.572 174.600 0.065 0.000 1.304 563 S CA 0.210 58.459 58.200 0.081 0.000 1.063 563 S CB 0.496 63.730 63.200 0.057 0.000 0.881 563 S HN 1.957 nan 8.310 nan 0.000 0.493 564 G N 3.263 112.092 108.800 0.049 0.000 5.259 564 G HA2 -0.399 3.571 3.960 0.017 0.000 0.288 564 G HA3 -0.399 3.571 3.960 0.017 0.000 0.288 564 G C 1.368 176.292 174.900 0.040 0.000 1.534 564 G CA 0.908 46.032 45.100 0.040 0.000 1.031 564 G HN 1.869 nan 8.290 nan 0.000 0.724 565 S N 1.261 116.988 115.700 0.044 0.000 2.399 565 S HA 0.280 4.761 4.470 0.017 0.000 0.231 565 S C 2.730 177.355 174.600 0.041 0.000 1.022 565 S CA 2.055 60.279 58.200 0.039 0.000 0.983 565 S CB -0.518 62.705 63.200 0.039 0.000 0.803 565 S HN 2.780 nan 8.310 nan 0.000 0.480 566 G N 1.226 110.059 108.800 0.054 0.000 2.162 566 G HA2 -0.330 3.640 3.960 0.017 0.000 0.260 566 G HA3 -0.330 3.640 3.960 0.017 0.000 0.260 566 G C -0.020 174.911 174.900 0.053 0.000 0.976 566 G CA 0.467 45.600 45.100 0.056 0.000 0.655 566 G HN 0.808 nan 8.290 nan 0.000 0.533 567 K N 1.037 121.467 120.400 0.051 0.000 2.326 567 K HA 0.412 4.742 4.320 0.017 0.000 0.275 567 K C -2.243 174.384 176.600 0.045 0.000 1.018 567 K CA -1.703 54.607 56.287 0.039 0.000 0.962 567 K CB 0.695 33.215 32.500 0.033 0.000 0.953 567 K HN 0.008 nan 8.250 nan 0.000 0.475 568 P HA -0.073 nan 4.420 nan 0.000 0.267 568 P C 0.556 177.860 177.300 0.007 0.000 1.205 568 P CA -0.191 62.920 63.100 0.019 0.000 0.765 568 P CB 0.821 32.519 31.700 -0.003 0.000 0.828 569 V N 5.041 124.953 119.914 -0.004 0.000 2.324 569 V HA -0.307 3.824 4.120 0.017 0.000 0.250 569 V C 2.360 178.422 176.094 -0.054 0.000 1.060 569 V CA 2.373 64.648 62.300 -0.043 0.000 1.042 569 V CB -1.185 30.545 31.823 -0.156 0.000 0.650 569 V HN 0.666 nan 8.190 nan 0.000 0.450 570 R N 0.508 120.971 120.500 -0.062 0.000 2.193 570 R HA -0.106 4.244 4.340 0.017 0.000 0.229 570 R C 2.003 178.274 176.300 -0.047 0.000 1.110 570 R CA 1.723 57.783 56.100 -0.066 0.000 0.988 570 R CB -0.754 29.499 30.300 -0.078 0.000 0.871 570 R HN 0.444 nan 8.270 nan 0.000 0.458 571 S N 0.699 116.380 115.700 -0.031 0.000 2.489 571 S HA 0.125 4.605 4.470 0.017 0.000 0.228 571 S C 0.755 175.347 174.600 -0.014 0.000 0.995 571 S CA 0.156 58.343 58.200 -0.022 0.000 0.934 571 S CB -0.005 63.187 63.200 -0.013 0.000 0.771 571 S HN 0.167 nan 8.310 nan 0.000 0.522 572 I N 2.548 123.111 120.570 -0.012 0.000 2.496 572 I HA 0.240 4.421 4.170 0.017 0.000 0.285 572 I C -0.071 176.043 176.117 -0.006 0.000 1.080 572 I CA 0.061 61.360 61.300 -0.002 0.000 1.404 572 I CB 0.004 38.009 38.000 0.007 0.000 1.403 572 I HN 0.094 nan 8.210 nan 0.000 0.539 573 I N 5.978 126.548 120.570 -0.000 0.000 2.448 573 I HA 0.237 4.418 4.170 0.017 0.000 0.281 573 I C -0.543 175.579 176.117 0.008 0.000 1.027 573 I CA -0.356 60.944 61.300 -0.000 0.000 1.111 573 I CB 1.706 39.703 38.000 -0.005 0.000 1.236 573 I HN 0.479 nan 8.210 nan 0.000 0.452 574 c N 7.338 125.946 118.600 0.013 0.000 2.415 574 c HA 0.459 5.039 4.570 0.017 0.000 0.369 574 c C -0.978 173.123 174.090 0.018 0.000 1.279 574 c CA -0.775 55.566 56.329 0.020 0.000 1.886 574 c CB -0.272 42.255 42.510 0.029 0.000 2.468 574 c HN 0.573 nan 8.230 nan 0.000 0.553 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.108 63.100 0.014 0.000 0.800 575 P CB 0.000 31.707 31.700 0.011 0.000 0.726