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 1zjh_1_A DATA FIRST_RESID 24 DATA SEQUENCE TFLEHMCRLD IDSPPITARN TGIICTIGPA SRSVETLKEM IKSGMNVARL DATA SEQUENCE NFSHGTHEYH AETIKNVRTA TESFASDPIL YRPVAVALDT KGPEIRTGLI DATA SEQUENCE KGSGTAEVEL KKGATLKITL DNAYMEKCDE NILWLDYKNI CKVVEVGSKI DATA SEQUENCE YVDDGLISLQ VKQKGADFLV TEVENGGSLG SKKGVNLPGA AVDLPAVSEK DATA SEQUENCE DIQDLKFGVE QDVDMVFASF IRKASDVHEV RKVLGEKGKN IKIISKIENH DATA SEQUENCE EGVRRFDEIL EASDGIMVAR GDLGIEIPAE KVFLAQKMMI GRCNRAGKPV DATA SEQUENCE ICATQMLESM IKKPRPTRAE GSDVANAVLD GADCIMLSGE TAKGDYPLEA DATA SEQUENCE VRMQHLIARE AEAAIYHLQL FEELRRLAPI TSDPTEATAV GAVEASFKCC DATA SEQUENCE SGAIIVLTKS GRSAHQVARY RPRAPIIAVT RNPQTARQAH LYRGIFPVLC DATA SEQUENCE KDPVQEAWAE DVDLRVNFAM NVGKARGFFK KGDVVIVLTG WRPGSGFTNT DATA SEQUENCE MRVVPVP 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 24 T HA 0.000 nan 4.350 nan 0.000 0.228 24 T C 0.000 174.783 174.700 0.138 0.000 1.109 24 T CA 0.000 62.150 62.100 0.083 0.000 1.349 24 T CB 0.000 68.913 68.868 0.075 0.000 0.612 25 F N 3.064 123.034 119.950 0.033 0.000 2.102 25 F HA -0.033 4.495 4.527 0.002 0.000 0.298 25 F C 1.898 177.766 175.800 0.113 0.000 1.105 25 F CA 1.600 59.647 58.000 0.078 0.000 1.239 25 F CB -0.063 38.958 39.000 0.035 0.000 0.991 25 F HN 0.561 nan 8.300 nan 0.000 0.474 26 L N 0.830 122.249 121.223 0.328 0.000 2.079 26 L HA -0.190 4.151 4.340 0.002 0.000 0.210 26 L C 2.178 179.083 176.870 0.058 0.000 1.081 26 L CA 2.197 57.154 54.840 0.195 0.000 0.752 26 L CB -1.110 41.047 42.059 0.162 0.000 0.896 26 L HN 0.254 nan 8.230 nan 0.000 0.433 27 E N -1.549 118.690 120.200 0.065 0.000 2.208 27 E HA -0.258 4.093 4.350 0.002 0.000 0.193 27 E C 2.151 178.764 176.600 0.020 0.000 0.988 27 E CA 1.235 57.659 56.400 0.039 0.000 0.828 27 E CB -0.202 29.532 29.700 0.056 0.000 0.763 27 E HN 0.731 nan 8.360 nan 0.000 0.478 28 H N -0.384 118.621 119.070 -0.108 0.000 2.326 28 H HA 0.033 4.590 4.556 0.002 0.000 0.301 28 H C 1.845 177.050 175.328 -0.206 0.000 1.081 28 H CA 2.166 58.119 56.048 -0.159 0.000 1.334 28 H CB -0.117 29.496 29.762 -0.249 0.000 1.385 28 H HN 0.149 nan 8.280 nan 0.000 0.504 29 M N -0.763 118.622 119.600 -0.358 0.000 2.080 29 M HA -0.222 4.259 4.480 0.002 0.000 0.260 29 M C 2.498 178.671 176.300 -0.211 0.000 1.068 29 M CA 1.645 56.748 55.300 -0.328 0.000 1.109 29 M CB -0.363 32.131 32.600 -0.178 0.000 1.342 29 M HN 0.395 nan 8.290 nan 0.000 0.405 30 C N 0.088 119.312 119.300 -0.127 0.000 2.410 30 C HA -0.098 4.363 4.460 0.002 0.000 0.281 30 C C 2.492 177.425 174.990 -0.094 0.000 1.318 30 C CA 0.693 59.662 59.018 -0.081 0.000 1.776 30 C CB -1.203 26.514 27.740 -0.039 0.000 1.942 30 C HN 0.432 nan 8.230 nan 0.000 0.508 31 R N 0.483 120.906 120.500 -0.129 0.000 2.297 31 R HA 0.249 4.590 4.340 0.002 0.000 0.197 31 R C 0.442 176.652 176.300 -0.149 0.000 0.943 31 R CA 0.045 56.078 56.100 -0.113 0.000 1.038 31 R CB -0.456 29.797 30.300 -0.079 0.000 0.957 31 R HN 0.522 nan 8.270 nan 0.000 0.484 32 L N 2.265 123.361 121.223 -0.212 0.000 2.540 32 L HA -0.019 4.322 4.340 0.002 0.000 0.276 32 L C 0.181 176.984 176.870 -0.112 0.000 1.212 32 L CA 0.435 55.159 54.840 -0.194 0.000 0.893 32 L CB 0.071 42.001 42.059 -0.215 0.000 1.138 32 L HN -0.118 nan 8.230 nan 0.000 0.491 33 D N 3.224 123.572 120.400 -0.086 0.000 2.696 33 D HA 0.191 4.832 4.640 0.002 0.000 0.251 33 D C 0.675 176.948 176.300 -0.045 0.000 1.188 33 D CA -0.591 53.374 54.000 -0.057 0.000 0.876 33 D CB 1.527 42.299 40.800 -0.046 0.000 1.334 33 D HN 0.354 nan 8.370 nan 0.000 0.540 34 I N 0.405 120.952 120.570 -0.038 0.000 2.928 34 I HA 0.056 4.227 4.170 0.002 0.000 0.266 34 I C 0.265 176.369 176.117 -0.022 0.000 1.234 34 I CA 0.838 62.120 61.300 -0.029 0.000 1.483 34 I CB -0.424 37.561 38.000 -0.026 0.000 1.097 34 I HN 0.127 nan 8.210 nan 0.000 0.455 35 D N 1.723 122.110 120.400 -0.022 0.000 2.349 35 D HA 0.034 4.675 4.640 0.002 0.000 0.215 35 D C 0.733 177.025 176.300 -0.014 0.000 1.016 35 D CA 0.497 54.487 54.000 -0.016 0.000 0.870 35 D CB 0.294 41.085 40.800 -0.016 0.000 0.917 35 D HN 0.498 nan 8.370 nan 0.000 0.524 36 S N 1.008 116.698 115.700 -0.017 0.000 2.461 36 S HA 0.546 5.017 4.470 0.002 0.000 0.322 36 S C -2.581 172.012 174.600 -0.010 0.000 1.063 36 S CA -1.509 56.683 58.200 -0.014 0.000 1.120 36 S CB 1.594 64.784 63.200 -0.017 0.000 0.968 36 S HN -0.231 nan 8.310 nan 0.000 0.467 37 P HA 0.168 nan 4.420 nan 0.000 0.265 37 P C -2.288 175.013 177.300 0.001 0.000 1.187 37 P CA -0.762 62.337 63.100 -0.001 0.000 0.766 37 P CB -0.219 31.482 31.700 0.002 0.000 0.820 38 P HA 0.062 nan 4.420 nan 0.000 0.271 38 P C 0.282 177.588 177.300 0.011 0.000 1.220 38 P CA 0.098 63.202 63.100 0.007 0.000 0.768 38 P CB 0.753 32.453 31.700 0.000 0.000 0.848 39 I N 1.412 121.990 120.570 0.013 0.000 2.385 39 I HA -0.026 4.145 4.170 0.002 0.000 0.244 39 I C 1.632 177.755 176.117 0.009 0.000 1.089 39 I CA 1.103 62.409 61.300 0.011 0.000 1.410 39 I CB -1.648 36.356 38.000 0.008 0.000 1.117 39 I HN 0.353 nan 8.210 nan 0.000 0.429 40 T N 0.730 115.283 114.554 -0.001 0.000 2.795 40 T HA 0.470 4.821 4.350 0.002 0.000 0.314 40 T C 0.340 175.035 174.700 -0.008 0.000 1.069 40 T CA -0.496 61.587 62.100 -0.029 0.000 1.071 40 T CB 1.209 70.035 68.868 -0.069 0.000 0.988 40 T HN 0.274 nan 8.240 nan 0.000 0.543 41 A N 1.523 124.332 122.820 -0.019 0.000 2.280 41 A HA 0.487 4.808 4.320 0.002 0.000 0.268 41 A C 0.798 178.387 177.584 0.007 0.000 1.111 41 A CA -0.792 51.270 52.037 0.042 0.000 0.814 41 A CB 0.232 19.291 19.000 0.099 0.000 1.093 41 A HN 0.873 nan 8.150 nan 0.000 0.498 42 R N 0.728 121.250 120.500 0.036 0.000 2.242 42 R HA 0.072 4.413 4.340 0.002 0.000 0.334 42 R C -0.445 175.889 176.300 0.057 0.000 1.071 42 R CA -0.084 56.004 56.100 -0.020 0.000 0.922 42 R CB -0.104 30.099 30.300 -0.162 0.000 1.023 42 R HN 0.784 nan 8.270 nan 0.000 0.458 43 N N 1.022 119.744 118.700 0.037 0.000 2.300 43 N HA -0.040 4.701 4.740 0.002 0.000 0.179 43 N C -0.189 175.373 175.510 0.087 0.000 1.016 43 N CA 0.883 53.970 53.050 0.061 0.000 0.876 43 N CB 0.193 38.705 38.487 0.041 0.000 0.979 43 N HN 0.473 nan 8.380 nan 0.000 0.432 44 T N 0.305 114.899 114.554 0.066 0.000 2.901 44 T HA 0.375 4.726 4.350 0.002 0.000 0.301 44 T C 0.746 175.493 174.700 0.077 0.000 1.012 44 T CA -0.348 61.791 62.100 0.064 0.000 1.135 44 T CB 1.004 69.896 68.868 0.041 0.000 0.936 44 T HN 0.174 nan 8.240 nan 0.000 0.539 45 G N 1.884 110.731 108.800 0.078 0.000 2.476 45 G HA2 0.505 4.466 3.960 0.002 0.000 0.269 45 G HA3 0.505 4.466 3.960 0.002 0.000 0.269 45 G C -0.684 174.242 174.900 0.043 0.000 1.195 45 G CA -0.546 44.598 45.100 0.073 0.000 0.843 45 G HN 0.548 nan 8.290 nan 0.000 0.545 46 I N 1.522 122.105 120.570 0.021 0.000 2.406 46 I HA 0.378 4.549 4.170 0.002 0.000 0.290 46 I C -0.539 175.588 176.117 0.016 0.000 0.999 46 I CA -1.778 59.537 61.300 0.025 0.000 1.124 46 I CB 1.297 39.318 38.000 0.035 0.000 1.289 46 I HN 0.128 nan 8.210 nan 0.000 0.441 47 I N 6.137 126.734 120.570 0.045 0.000 2.378 47 I HA 0.401 4.572 4.170 0.002 0.000 0.291 47 I C -0.361 175.803 176.117 0.078 0.000 0.992 47 I CA -0.202 61.145 61.300 0.078 0.000 1.154 47 I CB 1.456 39.539 38.000 0.138 0.000 1.315 47 I HN 0.445 nan 8.210 nan 0.000 0.448 48 C N 3.792 123.135 119.300 0.071 0.000 2.345 48 C HA 0.626 5.087 4.460 0.002 0.000 0.323 48 C C 0.562 175.604 174.990 0.086 0.000 1.276 48 C CA -0.787 58.273 59.018 0.070 0.000 1.543 48 C CB 0.965 28.734 27.740 0.048 0.000 2.211 48 C HN 0.858 nan 8.230 nan 0.000 0.493 49 T N 2.116 116.728 114.554 0.097 0.000 2.814 49 T HA 0.496 4.847 4.350 0.002 0.000 0.297 49 T C -0.179 174.577 174.700 0.094 0.000 0.956 49 T CA -0.267 61.898 62.100 0.109 0.000 1.123 49 T CB 0.188 69.127 68.868 0.119 0.000 0.902 49 T HN 0.414 nan 8.240 nan 0.000 0.528 50 I N 3.179 123.806 120.570 0.095 0.000 2.385 50 I HA 0.695 4.866 4.170 0.002 0.000 0.294 50 I C 0.921 177.101 176.117 0.105 0.000 0.988 50 I CA -0.264 61.085 61.300 0.082 0.000 1.265 50 I CB 0.803 38.841 38.000 0.063 0.000 1.388 50 I HN 1.029 nan 8.210 nan 0.000 0.480 51 G N 6.388 115.244 108.800 0.093 0.000 2.782 51 G HA2 0.488 4.449 3.960 0.002 0.000 0.304 51 G HA3 0.488 4.449 3.960 0.002 0.000 0.304 51 G C -2.435 172.529 174.900 0.108 0.000 1.315 51 G CA -0.410 44.767 45.100 0.128 0.000 0.791 51 G HN 0.306 nan 8.290 nan 0.000 0.519 52 P HA -0.076 nan 4.420 nan 0.000 0.220 52 P C 1.236 178.568 177.300 0.053 0.000 1.144 52 P CA 1.830 64.996 63.100 0.111 0.000 0.800 52 P CB 0.216 31.974 31.700 0.097 0.000 0.772 53 A N -0.414 122.430 122.820 0.041 0.000 2.308 53 A HA 0.216 4.537 4.320 0.002 0.000 0.217 53 A C 1.416 179.011 177.584 0.019 0.000 1.216 53 A CA 0.679 52.726 52.037 0.018 0.000 0.864 53 A CB -0.222 18.781 19.000 0.005 0.000 0.902 53 A HN 0.305 nan 8.150 nan 0.000 0.499 54 S N -2.076 113.640 115.700 0.028 0.000 3.101 54 S HA 0.231 4.702 4.470 0.002 0.000 0.252 54 S C 0.818 175.431 174.600 0.021 0.000 0.920 54 S CA -0.126 58.090 58.200 0.027 0.000 1.158 54 S CB -0.323 62.898 63.200 0.036 0.000 1.125 54 S HN 0.435 nan 8.310 nan 0.000 0.608 55 R N 2.473 122.980 120.500 0.012 0.000 2.210 55 R HA 0.159 4.500 4.340 0.002 0.000 0.203 55 R C 0.680 176.971 176.300 -0.016 0.000 1.010 55 R CA 0.949 57.041 56.100 -0.014 0.000 1.008 55 R CB 0.066 30.343 30.300 -0.038 0.000 0.923 55 R HN 0.551 nan 8.270 nan 0.000 0.469 56 S N -0.658 115.041 115.700 -0.002 0.000 2.564 56 S HA 0.046 4.517 4.470 0.002 0.000 0.278 56 S C 1.422 176.026 174.600 0.005 0.000 1.333 56 S CA -0.761 57.438 58.200 -0.001 0.000 1.048 56 S CB 1.856 65.057 63.200 0.002 0.000 0.900 56 S HN -0.038 nan 8.310 nan 0.000 0.505 57 V N 2.576 122.492 119.914 0.002 0.000 2.380 57 V HA -0.206 3.915 4.120 0.002 0.000 0.251 57 V C 2.451 178.554 176.094 0.014 0.000 1.063 57 V CA 2.405 64.709 62.300 0.007 0.000 1.055 57 V CB -1.288 30.532 31.823 -0.005 0.000 0.657 57 V HN 0.868 nan 8.190 nan 0.000 0.455 58 E N 0.113 120.319 120.200 0.010 0.000 2.023 58 E HA -0.178 4.173 4.350 0.002 0.000 0.196 58 E C 2.322 178.940 176.600 0.030 0.000 1.003 58 E CA 2.028 58.437 56.400 0.015 0.000 0.809 58 E CB -0.940 28.765 29.700 0.009 0.000 0.755 58 E HN 0.539 nan 8.360 nan 0.000 0.449 59 T N 0.958 115.528 114.554 0.026 0.000 2.821 59 T HA -0.040 4.311 4.350 0.002 0.000 0.267 59 T C 1.871 176.597 174.700 0.042 0.000 1.046 59 T CA 0.758 62.876 62.100 0.031 0.000 1.139 59 T CB -0.250 68.632 68.868 0.022 0.000 0.871 59 T HN 0.025 nan 8.240 nan 0.000 0.454 60 L N 0.451 121.700 121.223 0.043 0.000 2.083 60 L HA -0.103 4.238 4.340 0.002 0.000 0.209 60 L C 2.631 179.558 176.870 0.096 0.000 1.083 60 L CA 1.338 56.212 54.840 0.055 0.000 0.752 60 L CB -0.434 41.654 42.059 0.048 0.000 0.899 60 L HN 0.209 nan 8.230 nan 0.000 0.433 61 K N -0.390 120.083 120.400 0.122 0.000 2.057 61 K HA -0.167 4.154 4.320 0.002 0.000 0.207 61 K C 2.110 178.840 176.600 0.216 0.000 1.049 61 K CA 1.130 57.562 56.287 0.241 0.000 0.931 61 K CB -0.040 32.558 32.500 0.162 0.000 0.714 61 K HN 0.215 nan 8.250 nan 0.000 0.440 62 E N 0.635 120.905 120.200 0.117 0.000 2.072 62 E HA -0.130 4.221 4.350 0.002 0.000 0.191 62 E C 1.990 178.607 176.600 0.028 0.000 0.985 62 E CA 1.188 57.630 56.400 0.070 0.000 0.801 62 E CB -0.116 29.614 29.700 0.051 0.000 0.750 62 E HN 0.357 nan 8.360 nan 0.000 0.452 63 M N 0.056 119.673 119.600 0.029 0.000 2.159 63 M HA -0.124 4.357 4.480 0.002 0.000 0.263 63 M C 2.308 178.588 176.300 -0.033 0.000 1.063 63 M CA 1.162 56.465 55.300 0.005 0.000 1.110 63 M CB -0.262 32.348 32.600 0.017 0.000 1.374 63 M HN 0.048 nan 8.290 nan 0.000 0.411 64 I N -0.113 120.435 120.570 -0.036 0.000 2.315 64 I HA -0.268 3.903 4.170 0.002 0.000 0.248 64 I C 2.180 178.166 176.117 -0.218 0.000 1.117 64 I CA 1.309 62.532 61.300 -0.128 0.000 1.404 64 I CB -0.259 37.666 38.000 -0.124 0.000 1.071 64 I HN 0.217 nan 8.210 nan 0.000 0.419 65 K N 0.254 120.541 120.400 -0.190 0.000 2.148 65 K HA -0.042 4.279 4.320 0.002 0.000 0.204 65 K C 1.939 178.446 176.600 -0.155 0.000 1.050 65 K CA 1.118 57.283 56.287 -0.202 0.000 0.942 65 K CB -0.042 32.399 32.500 -0.098 0.000 0.724 65 K HN 0.105 nan 8.250 nan 0.000 0.446 66 S N -0.678 114.954 115.700 -0.113 0.000 2.603 66 S HA 0.075 4.546 4.470 0.002 0.000 0.220 66 S C 1.108 175.621 174.600 -0.145 0.000 0.967 66 S CA 0.721 58.851 58.200 -0.118 0.000 0.920 66 S CB 0.542 63.709 63.200 -0.055 0.000 0.773 66 S HN 0.620 nan 8.310 nan 0.000 0.529 67 G N 1.189 109.910 108.800 -0.133 0.000 2.229 67 G HA2 -0.209 3.752 3.960 0.002 0.000 0.189 67 G HA3 -0.209 3.752 3.960 0.002 0.000 0.189 67 G C 0.141 175.001 174.900 -0.065 0.000 1.000 67 G CA -0.163 44.886 45.100 -0.085 0.000 0.663 67 G HN 0.444 nan 8.290 nan 0.000 0.493 68 M N 1.527 121.081 119.600 -0.076 0.000 2.303 68 M HA 0.308 4.789 4.480 0.002 0.000 0.350 68 M C 0.977 177.178 176.300 -0.166 0.000 1.518 68 M CA 1.035 56.288 55.300 -0.079 0.000 1.070 68 M CB 0.021 32.592 32.600 -0.048 0.000 1.910 68 M HN 0.276 nan 8.290 nan 0.000 0.458 69 N N 2.755 121.326 118.700 -0.215 0.000 2.414 69 N HA 0.167 4.908 4.740 0.002 0.000 0.177 69 N C -0.994 174.344 175.510 -0.288 0.000 1.062 69 N CA -0.117 52.645 53.050 -0.481 0.000 0.890 69 N CB 0.893 38.970 38.487 -0.684 0.000 1.070 69 N HN 0.421 nan 8.380 nan 0.000 0.454 70 V N 0.669 120.520 119.914 -0.104 0.000 2.686 70 V HA 0.676 4.797 4.120 0.002 0.000 0.306 70 V C -0.979 175.125 176.094 0.018 0.000 1.065 70 V CA -1.242 61.055 62.300 -0.006 0.000 0.894 70 V CB 1.687 33.554 31.823 0.074 0.000 1.004 70 V HN 0.051 nan 8.190 nan 0.000 0.424 71 A N 4.507 127.336 122.820 0.015 0.000 2.249 71 A HA 0.713 5.034 4.320 0.002 0.000 0.314 71 A C -0.011 177.587 177.584 0.023 0.000 1.290 71 A CA -0.520 51.533 52.037 0.027 0.000 0.893 71 A CB 0.447 19.461 19.000 0.023 0.000 1.165 71 A HN 0.798 nan 8.150 nan 0.000 0.530 72 R N 3.310 123.846 120.500 0.059 0.000 2.255 72 R HA 0.500 4.841 4.340 0.002 0.000 0.326 72 R C -1.710 174.641 176.300 0.085 0.000 0.986 72 R CA -0.572 55.563 56.100 0.058 0.000 0.847 72 R CB 0.475 30.880 30.300 0.175 0.000 1.111 72 R HN 0.558 nan 8.270 nan 0.000 0.452 73 L N 4.187 125.456 121.223 0.077 0.000 2.272 73 L HA 0.274 4.615 4.340 0.002 0.000 0.289 73 L C 0.040 177.028 176.870 0.198 0.000 1.032 73 L CA -0.400 54.524 54.840 0.141 0.000 0.810 73 L CB 1.229 43.394 42.059 0.176 0.000 1.205 73 L HN 0.524 nan 8.230 nan 0.000 0.422 74 N N 2.469 121.281 118.700 0.186 0.000 2.415 74 N HA 0.104 4.845 4.740 0.002 0.000 0.246 74 N C 0.245 175.871 175.510 0.192 0.000 1.078 74 N CA -0.033 53.140 53.050 0.206 0.000 0.942 74 N CB 0.270 38.871 38.487 0.189 0.000 1.140 74 N HN 0.330 nan 8.380 nan 0.000 0.501 75 F N 1.311 121.232 119.950 -0.049 0.000 2.795 75 F HA 0.097 4.625 4.527 0.001 0.000 0.303 75 F C 2.038 177.841 175.800 0.005 0.000 1.186 75 F CA 0.118 58.096 58.000 -0.036 0.000 1.415 75 F CB -0.121 38.830 39.000 -0.081 0.000 1.106 75 F HN 0.455 nan 8.300 nan 0.000 0.558 76 S N -1.502 114.231 115.700 0.056 0.000 2.447 76 S HA -0.063 4.408 4.470 0.002 0.000 0.233 76 S C 0.456 174.777 174.600 -0.465 0.000 1.006 76 S CA 0.863 58.943 58.200 -0.200 0.000 0.957 76 S CB -0.255 62.773 63.200 -0.287 0.000 0.773 76 S HN 0.305 nan 8.310 nan 0.000 0.507 77 H N -1.093 118.031 119.070 0.091 0.000 2.977 77 H HA 0.543 5.100 4.556 0.002 0.000 0.350 77 H C 0.399 175.746 175.328 0.033 0.000 1.238 77 H CA -0.087 55.980 56.048 0.032 0.000 1.124 77 H CB 1.177 30.941 29.762 0.004 0.000 1.866 77 H HN 0.289 nan 8.280 nan 0.000 0.550 78 G N 0.849 109.657 108.800 0.014 0.000 2.705 78 G HA2 -0.122 3.839 3.960 0.002 0.000 0.686 78 G HA3 -0.122 3.839 3.960 0.002 0.000 0.686 78 G C 0.003 174.767 174.900 -0.226 0.000 1.285 78 G CA -0.278 44.666 45.100 -0.261 0.000 0.800 78 G HN 0.841 nan 8.290 nan 0.000 0.611 79 T N -1.518 112.873 114.554 -0.271 0.000 2.881 79 T HA 0.585 4.936 4.350 0.002 0.000 0.278 79 T C 1.329 175.967 174.700 -0.104 0.000 0.982 79 T CA 0.436 62.449 62.100 -0.145 0.000 0.989 79 T CB 1.396 70.199 68.868 -0.109 0.000 1.058 79 T HN 0.681 nan 8.240 nan 0.000 0.529 80 H N -0.240 118.681 119.070 -0.248 0.000 2.319 80 H HA -0.108 4.449 4.556 0.002 0.000 0.299 80 H C 2.266 177.491 175.328 -0.171 0.000 1.092 80 H CA 1.667 57.430 56.048 -0.474 0.000 1.302 80 H CB 0.211 29.596 29.762 -0.630 0.000 1.373 80 H HN 0.877 nan 8.280 nan 0.000 0.497 81 E N 0.575 120.823 120.200 0.080 0.000 2.118 81 E HA -0.249 4.102 4.350 0.002 0.000 0.195 81 E C 1.954 178.605 176.600 0.084 0.000 0.992 81 E CA 1.059 57.523 56.400 0.107 0.000 0.804 81 E CB -0.140 29.606 29.700 0.076 0.000 0.741 81 E HN 0.470 nan 8.360 nan 0.000 0.458 82 Y N 0.703 120.923 120.300 -0.133 0.000 2.200 82 Y HA -0.226 4.325 4.550 0.001 0.000 0.290 82 Y C 2.173 177.962 175.900 -0.185 0.000 1.137 82 Y CA 2.110 60.084 58.100 -0.211 0.000 1.163 82 Y CB -0.202 38.033 38.460 -0.375 0.000 0.988 82 Y HN 0.204 nan 8.280 nan 0.000 0.518 83 H N -0.799 118.250 119.070 -0.035 0.000 2.395 83 H HA 0.062 4.619 4.556 0.002 0.000 0.299 83 H C 2.360 177.762 175.328 0.123 0.000 1.070 83 H CA 1.035 57.056 56.048 -0.045 0.000 1.356 83 H CB -0.756 28.951 29.762 -0.091 0.000 1.401 83 H HN 0.464 nan 8.280 nan 0.000 0.524 84 A N 1.107 124.153 122.820 0.377 0.000 1.940 84 A HA -0.217 4.104 4.320 0.002 0.000 0.219 84 A C 2.350 180.009 177.584 0.125 0.000 1.176 84 A CA 1.881 54.118 52.037 0.334 0.000 0.631 84 A CB -0.427 18.793 19.000 0.367 0.000 0.814 84 A HN 0.502 nan 8.150 nan 0.000 0.446 85 E N -0.950 119.275 120.200 0.041 0.000 2.150 85 E HA -0.128 4.223 4.350 0.002 0.000 0.193 85 E C 1.901 178.464 176.600 -0.063 0.000 0.985 85 E CA 1.426 57.810 56.400 -0.026 0.000 0.814 85 E CB -0.081 29.577 29.700 -0.070 0.000 0.752 85 E HN 0.572 nan 8.360 nan 0.000 0.466 86 T N 1.522 116.010 114.554 -0.110 0.000 2.737 86 T HA -0.120 4.231 4.350 0.002 0.000 0.265 86 T C 1.797 176.495 174.700 -0.003 0.000 1.038 86 T CA 0.970 63.015 62.100 -0.093 0.000 1.144 86 T CB -0.054 68.754 68.868 -0.100 0.000 0.866 86 T HN 0.139 nan 8.240 nan 0.000 0.434 87 I N 1.631 122.228 120.570 0.046 0.000 2.226 87 I HA -0.118 4.053 4.170 0.002 0.000 0.245 87 I C 2.397 178.531 176.117 0.027 0.000 1.100 87 I CA 1.377 62.706 61.300 0.048 0.000 1.374 87 I CB -1.075 36.963 38.000 0.063 0.000 1.057 87 I HN 0.295 nan 8.210 nan 0.000 0.413 88 K N 1.037 121.451 120.400 0.024 0.000 2.032 88 K HA -0.223 4.098 4.320 0.002 0.000 0.209 88 K C 1.823 178.431 176.600 0.012 0.000 1.048 88 K CA 1.804 58.101 56.287 0.016 0.000 0.927 88 K CB -0.019 32.490 32.500 0.016 0.000 0.712 88 K HN 0.231 nan 8.250 nan 0.000 0.441 89 N N 0.501 119.203 118.700 0.003 0.000 2.188 89 N HA -0.121 4.621 4.740 0.002 0.000 0.184 89 N C 1.757 177.278 175.510 0.018 0.000 1.018 89 N CA 0.974 54.026 53.050 0.002 0.000 0.858 89 N CB -0.289 38.191 38.487 -0.013 0.000 0.989 89 N HN 0.014 nan 8.380 nan 0.000 0.426 90 V N 1.213 121.141 119.914 0.023 0.000 2.343 90 V HA -0.179 3.942 4.120 0.002 0.000 0.247 90 V C 2.220 178.344 176.094 0.051 0.000 1.051 90 V CA 1.543 63.864 62.300 0.036 0.000 1.036 90 V CB -0.295 31.548 31.823 0.033 0.000 0.654 90 V HN 0.268 nan 8.190 nan 0.000 0.451 91 R N -0.657 119.870 120.500 0.046 0.000 2.115 91 R HA -0.093 4.248 4.340 0.002 0.000 0.226 91 R C 2.362 178.699 176.300 0.061 0.000 1.100 91 R CA 1.663 57.799 56.100 0.060 0.000 0.980 91 R CB -0.530 29.797 30.300 0.045 0.000 0.875 91 R HN 0.484 nan 8.270 nan 0.000 0.445 92 T N 0.781 115.357 114.554 0.037 0.000 2.737 92 T HA -0.114 4.237 4.350 0.002 0.000 0.265 92 T C 1.945 176.654 174.700 0.015 0.000 1.038 92 T CA 1.440 63.552 62.100 0.019 0.000 1.144 92 T CB -0.190 68.680 68.868 0.003 0.000 0.866 92 T HN 0.358 nan 8.240 nan 0.000 0.434 93 A N 1.210 124.050 122.820 0.033 0.000 1.898 93 A HA -0.101 4.220 4.320 0.002 0.000 0.216 93 A C 2.555 180.221 177.584 0.137 0.000 1.181 93 A CA 2.001 54.066 52.037 0.046 0.000 0.620 93 A CB -1.220 17.833 19.000 0.088 0.000 0.819 93 A HN 0.460 nan 8.150 nan 0.000 0.442 94 T N 0.131 114.792 114.554 0.177 0.000 2.708 94 T HA -0.102 4.249 4.350 0.002 0.000 0.266 94 T C 1.644 176.568 174.700 0.375 0.000 1.037 94 T CA 1.520 63.778 62.100 0.262 0.000 1.146 94 T CB -0.233 68.731 68.868 0.161 0.000 0.865 94 T HN 0.425 nan 8.240 nan 0.000 0.435 95 E N 1.065 121.414 120.200 0.247 0.000 2.478 95 E HA 0.061 4.412 4.350 0.002 0.000 0.198 95 E C 2.235 178.896 176.600 0.101 0.000 1.046 95 E CA 0.149 56.680 56.400 0.218 0.000 0.870 95 E CB -0.421 29.340 29.700 0.101 0.000 0.818 95 E HN 0.294 nan 8.360 nan 0.000 0.527 96 S N -0.526 115.151 115.700 -0.039 0.000 2.442 96 S HA -0.073 4.398 4.470 0.002 0.000 0.236 96 S C 0.933 175.307 174.600 -0.377 0.000 1.007 96 S CA 0.592 58.612 58.200 -0.299 0.000 0.965 96 S CB -0.085 62.773 63.200 -0.572 0.000 0.773 96 S HN 0.179 nan 8.310 nan 0.000 0.504 97 F N 0.229 120.280 119.950 0.168 0.000 2.678 97 F HA 0.476 5.004 4.527 0.002 0.000 0.305 97 F C 1.830 177.816 175.800 0.310 0.000 1.090 97 F CA 0.010 58.133 58.000 0.205 0.000 1.272 97 F CB -0.254 38.847 39.000 0.167 0.000 1.060 97 F HN 0.130 nan 8.300 nan 0.000 0.576 98 A N 0.031 123.061 122.820 0.350 0.000 2.168 98 A HA -0.101 4.220 4.320 0.002 0.000 0.215 98 A C 2.241 179.833 177.584 0.014 0.000 1.152 98 A CA 1.417 53.467 52.037 0.022 0.000 0.716 98 A CB -0.883 18.002 19.000 -0.193 0.000 0.794 98 A HN 0.334 nan 8.150 nan 0.000 0.465 99 S N -0.819 114.919 115.700 0.062 0.000 2.507 99 S HA -0.072 4.399 4.470 0.002 0.000 0.235 99 S C 0.463 175.103 174.600 0.066 0.000 0.988 99 S CA 0.928 59.151 58.200 0.038 0.000 0.944 99 S CB -0.096 63.120 63.200 0.027 0.000 0.762 99 S HN 0.435 nan 8.310 nan 0.000 0.526 100 D N 1.381 121.854 120.400 0.123 0.000 2.412 100 D HA 0.415 5.056 4.640 0.002 0.000 0.276 100 D C -2.265 174.148 176.300 0.188 0.000 1.196 100 D CA -2.459 51.624 54.000 0.138 0.000 0.905 100 D CB 1.512 42.399 40.800 0.146 0.000 1.081 100 D HN -0.071 nan 8.370 nan 0.000 0.502 101 P HA -0.150 nan 4.420 nan 0.000 0.217 101 P C 1.643 179.172 177.300 0.383 0.000 1.151 101 P CA 0.636 63.889 63.100 0.255 0.000 0.849 101 P CB 0.344 32.162 31.700 0.196 0.000 0.787 102 I N -1.875 118.857 120.570 0.270 0.000 2.361 102 I HA -0.145 4.026 4.170 0.002 0.000 0.251 102 I C 2.000 178.165 176.117 0.080 0.000 1.133 102 I CA 1.621 62.991 61.300 0.117 0.000 1.413 102 I CB -1.086 36.947 38.000 0.054 0.000 1.073 102 I HN 0.067 nan 8.210 nan 0.000 0.424 103 L N -1.662 119.641 121.223 0.134 0.000 2.609 103 L HA 0.082 4.423 4.340 0.002 0.000 0.230 103 L C 0.733 177.686 176.870 0.138 0.000 1.087 103 L CA -0.275 54.626 54.840 0.103 0.000 0.874 103 L CB -0.222 41.878 42.059 0.068 0.000 1.114 103 L HN 0.043 nan 8.230 nan 0.000 0.488 104 Y N 3.221 123.578 120.300 0.095 0.000 2.810 104 Y HA -0.019 4.532 4.550 0.002 0.000 0.332 104 Y C 0.272 176.192 175.900 0.034 0.000 1.243 104 Y CA 0.038 58.196 58.100 0.097 0.000 1.537 104 Y CB 0.311 38.856 38.460 0.143 0.000 1.265 104 Y HN -0.003 nan 8.280 nan 0.000 0.572 105 R N 7.804 127.943 120.500 -0.601 0.000 2.310 105 R HA 0.332 4.673 4.340 0.002 0.000 0.324 105 R C -2.735 173.168 176.300 -0.662 0.000 0.955 105 R CA -2.128 53.673 56.100 -0.498 0.000 0.830 105 R CB 1.092 31.176 30.300 -0.361 0.000 1.154 105 R HN 0.549 nan 8.270 nan 0.000 0.458 106 P HA 0.055 nan 4.420 nan 0.000 0.267 106 P C -0.601 176.704 177.300 0.008 0.000 1.200 106 P CA -0.137 62.901 63.100 -0.103 0.000 0.772 106 P CB 0.679 32.424 31.700 0.075 0.000 0.855 107 V N 2.082 121.998 119.914 0.003 0.000 2.482 107 V HA 0.561 4.682 4.120 0.002 0.000 0.295 107 V C 0.184 176.312 176.094 0.056 0.000 1.026 107 V CA -0.818 61.476 62.300 -0.009 0.000 0.856 107 V CB 1.443 33.234 31.823 -0.053 0.000 1.001 107 V HN 0.670 nan 8.190 nan 0.000 0.424 108 A N 4.597 127.468 122.820 0.085 0.000 2.304 108 A HA 0.828 5.149 4.320 0.002 0.000 0.271 108 A C -0.410 177.188 177.584 0.024 0.000 1.091 108 A CA -0.412 51.670 52.037 0.075 0.000 0.812 108 A CB 1.090 20.159 19.000 0.116 0.000 1.056 108 A HN 0.728 nan 8.150 nan 0.000 0.489 109 V N 0.850 120.762 119.914 -0.003 0.000 2.409 109 V HA 0.621 4.742 4.120 0.002 0.000 0.291 109 V C 0.333 176.361 176.094 -0.111 0.000 1.020 109 V CA -0.166 62.113 62.300 -0.036 0.000 0.848 109 V CB 1.128 32.936 31.823 -0.025 0.000 0.990 109 V HN 1.178 nan 8.190 nan 0.000 0.430 110 A N 5.268 127.978 122.820 -0.184 0.000 2.330 110 A HA 0.861 5.182 4.320 0.002 0.000 0.327 110 A C -0.921 176.418 177.584 -0.409 0.000 1.155 110 A CA -0.553 51.221 52.037 -0.439 0.000 0.803 110 A CB 1.234 19.758 19.000 -0.794 0.000 1.208 110 A HN 0.899 nan 8.150 nan 0.000 0.477 111 L N 2.378 123.324 121.223 -0.461 0.000 2.276 111 L HA 0.428 4.769 4.340 0.002 0.000 0.286 111 L C -1.066 175.583 176.870 -0.369 0.000 1.024 111 L CA -0.518 54.090 54.840 -0.387 0.000 0.826 111 L CB 1.023 42.798 42.059 -0.472 0.000 1.211 111 L HN 0.680 nan 8.230 nan 0.000 0.422 112 D N 3.906 124.206 120.400 -0.168 0.000 2.412 112 D HA 0.159 4.800 4.640 0.002 0.000 0.224 112 D C -0.031 176.299 176.300 0.050 0.000 1.093 112 D CA -0.140 53.877 54.000 0.030 0.000 0.850 112 D CB 1.368 42.295 40.800 0.211 0.000 1.046 112 D HN 0.604 nan 8.370 nan 0.000 0.507 113 T N 0.814 115.375 114.554 0.012 0.000 2.903 113 T HA 0.035 4.386 4.350 0.002 0.000 0.314 113 T C 1.318 176.063 174.700 0.074 0.000 1.078 113 T CA -0.329 61.784 62.100 0.021 0.000 1.114 113 T CB 1.651 70.522 68.868 0.006 0.000 0.987 113 T HN 0.409 nan 8.240 nan 0.000 0.548 114 K N 2.035 122.483 120.400 0.080 0.000 2.057 114 K HA 0.124 4.445 4.320 0.002 0.000 0.206 114 K C 1.162 177.769 176.600 0.011 0.000 1.050 114 K CA 1.098 57.407 56.287 0.037 0.000 0.935 114 K CB -1.000 31.515 32.500 0.025 0.000 0.715 114 K HN 1.204 nan 8.250 nan 0.000 0.439 115 G N 0.618 109.429 108.800 0.018 0.000 2.781 115 G HA2 -0.179 3.782 3.960 0.002 0.000 0.683 115 G HA3 -0.179 3.782 3.960 0.002 0.000 0.683 115 G C -2.769 172.102 174.900 -0.048 0.000 1.390 115 G CA -0.643 44.462 45.100 0.009 0.000 0.850 115 G HN 0.168 nan 8.290 nan 0.000 0.557 116 P HA 0.404 nan 4.420 nan 0.000 0.271 116 P C -0.106 176.982 177.300 -0.353 0.000 1.216 116 P CA 0.336 63.348 63.100 -0.146 0.000 0.776 116 P CB 0.825 32.492 31.700 -0.056 0.000 0.881 117 E N 1.386 121.407 120.200 -0.298 0.000 2.437 117 E HA 0.619 4.970 4.350 0.002 0.000 0.280 117 E C -1.426 175.025 176.600 -0.248 0.000 1.044 117 E CA -0.928 55.267 56.400 -0.342 0.000 0.826 117 E CB 0.737 30.299 29.700 -0.231 0.000 1.358 117 E HN -0.009 nan 8.360 nan 0.000 0.459 118 I N 1.413 121.849 120.570 -0.224 0.000 2.355 118 I HA 0.394 4.565 4.170 0.002 0.000 0.288 118 I C -0.483 175.583 176.117 -0.086 0.000 0.999 118 I CA -0.679 60.535 61.300 -0.142 0.000 1.163 118 I CB 1.049 38.979 38.000 -0.117 0.000 1.316 118 I HN 0.352 nan 8.210 nan 0.000 0.454 119 R N 3.127 123.590 120.500 -0.062 0.000 2.711 119 R HA 0.691 5.032 4.340 0.002 0.000 0.284 119 R C 0.006 176.301 176.300 -0.009 0.000 0.968 119 R CA -0.821 55.271 56.100 -0.013 0.000 0.924 119 R CB 1.457 31.775 30.300 0.031 0.000 1.162 119 R HN 0.726 nan 8.270 nan 0.000 0.465 120 T N -1.926 112.656 114.554 0.047 0.000 2.847 120 T HA 0.539 4.890 4.350 0.002 0.000 0.279 120 T C 0.926 175.783 174.700 0.262 0.000 0.984 120 T CA -0.407 61.753 62.100 0.099 0.000 0.988 120 T CB 1.340 70.264 68.868 0.094 0.000 1.040 120 T HN 0.506 nan 8.240 nan 0.000 0.528 121 G N -0.220 108.840 108.800 0.434 0.000 2.504 121 G HA2 0.533 4.494 3.960 0.002 0.000 0.257 121 G HA3 0.533 4.494 3.960 0.002 0.000 0.257 121 G C -0.640 174.392 174.900 0.220 0.000 1.451 121 G CA -1.143 44.241 45.100 0.474 0.000 1.059 121 G HN 0.796 nan 8.290 nan 0.000 0.550 122 L N 0.202 121.506 121.223 0.136 0.000 2.282 122 L HA 0.319 4.660 4.340 0.002 0.000 0.288 122 L C -0.666 176.250 176.870 0.076 0.000 1.033 122 L CA -0.808 54.081 54.840 0.082 0.000 0.807 122 L CB 1.693 43.776 42.059 0.040 0.000 1.209 122 L HN 0.183 nan 8.230 nan 0.000 0.423 123 I N 4.054 124.665 120.570 0.068 0.000 2.505 123 I HA 0.008 4.179 4.170 0.002 0.000 0.287 123 I C 0.412 176.556 176.117 0.044 0.000 1.104 123 I CA -0.218 61.118 61.300 0.060 0.000 1.387 123 I CB -0.158 37.873 38.000 0.052 0.000 1.404 123 I HN 0.443 nan 8.210 nan 0.000 0.528 124 K N 5.420 125.848 120.400 0.046 0.000 5.095 124 K HA -0.166 4.155 4.320 0.002 0.000 0.311 124 K C 1.039 177.652 176.600 0.022 0.000 0.785 124 K CA 0.708 57.015 56.287 0.034 0.000 0.935 124 K CB -1.380 31.139 32.500 0.031 0.000 1.912 124 K HN 1.146 nan 8.250 nan 0.000 0.396 125 G N 0.728 109.537 108.800 0.014 0.000 2.559 125 G HA2 -0.430 3.531 3.960 0.002 0.000 0.282 125 G HA3 -0.430 3.531 3.960 0.002 0.000 0.282 125 G C 0.221 175.125 174.900 0.007 0.000 1.177 125 G CA 0.289 45.392 45.100 0.004 0.000 0.960 125 G HN 1.324 nan 8.290 nan 0.000 0.540 126 S N 1.232 116.936 115.700 0.007 0.000 2.553 126 S HA 0.411 4.882 4.470 0.002 0.000 0.271 126 S C 1.641 176.252 174.600 0.017 0.000 1.362 126 S CA 0.919 59.124 58.200 0.009 0.000 1.010 126 S CB 1.023 64.228 63.200 0.007 0.000 0.865 126 S HN 2.134 nan 8.310 nan 0.000 0.543 127 G N 0.279 109.090 108.800 0.018 0.000 2.437 127 G HA2 -0.044 3.917 3.960 0.002 0.000 0.212 127 G HA3 -0.044 3.917 3.960 0.002 0.000 0.212 127 G C 1.546 176.461 174.900 0.025 0.000 1.174 127 G CA 0.603 45.719 45.100 0.027 0.000 0.811 127 G HN 0.992 nan 8.290 nan 0.000 0.537 128 T N 0.297 114.861 114.554 0.018 0.000 2.822 128 T HA 0.091 4.442 4.350 0.002 0.000 0.270 128 T C 1.492 176.203 174.700 0.017 0.000 1.064 128 T CA 0.923 63.033 62.100 0.015 0.000 1.131 128 T CB -0.508 68.365 68.868 0.009 0.000 0.858 128 T HN 0.522 nan 8.240 nan 0.000 0.483 129 A N 1.683 124.514 122.820 0.018 0.000 2.524 129 A HA 0.350 4.671 4.320 0.002 0.000 0.250 129 A C 0.223 177.822 177.584 0.024 0.000 1.078 129 A CA -0.202 51.847 52.037 0.019 0.000 0.761 129 A CB -0.086 18.925 19.000 0.019 0.000 1.012 129 A HN 0.644 nan 8.150 nan 0.000 0.500 130 E N 1.259 121.472 120.200 0.022 0.000 2.212 130 E HA 0.532 4.883 4.350 0.002 0.000 0.268 130 E C -1.365 175.249 176.600 0.023 0.000 0.902 130 E CA -0.761 55.654 56.400 0.025 0.000 0.779 130 E CB 2.254 31.968 29.700 0.023 0.000 1.172 130 E HN 0.327 nan 8.360 nan 0.000 0.409 131 V N 3.279 123.208 119.914 0.025 0.000 2.380 131 V HA 0.077 4.198 4.120 0.002 0.000 0.268 131 V C -0.357 175.750 176.094 0.021 0.000 1.008 131 V CA -0.779 61.534 62.300 0.022 0.000 0.823 131 V CB 0.763 32.599 31.823 0.023 0.000 1.053 131 V HN 0.675 nan 8.190 nan 0.000 0.446 132 E N 4.502 124.713 120.200 0.018 0.000 2.374 132 E HA 0.593 4.944 4.350 0.002 0.000 0.260 132 E C -0.832 175.776 176.600 0.014 0.000 1.101 132 E CA -0.357 56.053 56.400 0.017 0.000 0.907 132 E CB 1.633 31.343 29.700 0.017 0.000 1.014 132 E HN 0.346 nan 8.360 nan 0.000 0.427 133 L N 0.792 122.022 121.223 0.012 0.000 2.393 133 L HA 0.521 4.862 4.340 0.002 0.000 0.260 133 L C -1.362 175.512 176.870 0.007 0.000 1.002 133 L CA -0.931 53.914 54.840 0.008 0.000 0.818 133 L CB 2.017 44.079 42.059 0.006 0.000 1.369 133 L HN 0.557 nan 8.230 nan 0.000 0.412 134 K N 2.116 122.519 120.400 0.005 0.000 2.154 134 K HA 0.375 4.696 4.320 0.002 0.000 0.264 134 K C -0.558 176.042 176.600 -0.000 0.000 1.008 134 K CA -0.411 55.878 56.287 0.003 0.000 0.937 134 K CB 0.485 32.987 32.500 0.003 0.000 1.002 134 K HN 0.520 nan 8.250 nan 0.000 0.469 135 K N 0.240 120.639 120.400 -0.000 0.000 2.344 135 K HA 0.049 4.370 4.320 0.002 0.000 0.260 135 K C 0.933 177.529 176.600 -0.007 0.000 0.988 135 K CA 1.179 57.463 56.287 -0.005 0.000 0.909 135 K CB -0.024 32.475 32.500 -0.003 0.000 0.968 135 K HN 0.651 nan 8.250 nan 0.000 0.505 136 G N 0.885 109.679 108.800 -0.011 0.000 2.353 136 G HA2 -0.371 3.590 3.960 0.002 0.000 0.258 136 G HA3 -0.371 3.590 3.960 0.002 0.000 0.258 136 G C 0.310 175.204 174.900 -0.011 0.000 1.013 136 G CA 0.470 45.563 45.100 -0.011 0.000 0.622 136 G HN 1.001 nan 8.290 nan 0.000 0.535 137 A N -0.135 122.680 122.820 -0.008 0.000 2.448 137 A HA 0.585 4.906 4.320 0.002 0.000 0.239 137 A C 0.805 178.383 177.584 -0.010 0.000 1.080 137 A CA 1.557 53.590 52.037 -0.007 0.000 0.779 137 A CB 0.251 19.248 19.000 -0.004 0.000 1.026 137 A HN 1.371 nan 8.150 nan 0.000 0.499 138 T N 0.120 114.670 114.554 -0.007 0.000 2.882 138 T HA 0.523 4.874 4.350 0.002 0.000 0.287 138 T C -0.876 173.820 174.700 -0.006 0.000 0.992 138 T CA -0.260 61.836 62.100 -0.008 0.000 1.076 138 T CB 0.130 68.996 68.868 -0.002 0.000 0.961 138 T HN 0.888 nan 8.240 nan 0.000 0.490 139 L N 4.128 125.346 121.223 -0.009 0.000 2.493 139 L HA 0.593 4.934 4.340 0.002 0.000 0.265 139 L C -1.186 175.683 176.870 -0.001 0.000 0.954 139 L CA -0.415 54.422 54.840 -0.006 0.000 0.844 139 L CB 1.939 43.992 42.059 -0.009 0.000 1.302 139 L HN 0.648 nan 8.230 nan 0.000 0.405 140 K N 5.666 126.073 120.400 0.012 0.000 2.182 140 K HA 0.626 4.947 4.320 0.002 0.000 0.262 140 K C -1.029 175.597 176.600 0.043 0.000 0.957 140 K CA -0.779 55.537 56.287 0.049 0.000 0.842 140 K CB 1.863 34.426 32.500 0.105 0.000 1.099 140 K HN 0.401 nan 8.250 nan 0.000 0.438 141 I N 2.453 123.056 120.570 0.055 0.000 2.321 141 I HA 0.158 4.329 4.170 0.002 0.000 0.291 141 I C 0.322 176.508 176.117 0.115 0.000 0.998 141 I CA -0.147 61.179 61.300 0.043 0.000 1.227 141 I CB 1.226 39.221 38.000 -0.007 0.000 1.368 141 I HN 0.569 nan 8.210 nan 0.000 0.466 142 T N 6.452 121.078 114.554 0.120 0.000 2.856 142 T HA 0.447 4.798 4.350 0.002 0.000 0.283 142 T C 0.663 175.480 174.700 0.194 0.000 1.008 142 T CA -0.478 61.745 62.100 0.205 0.000 0.997 142 T CB 1.034 70.025 68.868 0.206 0.000 0.992 142 T HN 0.315 nan 8.240 nan 0.000 0.454 143 L N 2.834 124.178 121.223 0.203 0.000 2.640 143 L HA 0.294 4.635 4.340 0.002 0.000 0.230 143 L C 0.814 177.933 176.870 0.415 0.000 1.123 143 L CA 0.397 55.336 54.840 0.165 0.000 0.900 143 L CB -0.623 41.480 42.059 0.074 0.000 1.146 143 L HN 0.730 nan 8.230 nan 0.000 0.484 144 D N 0.353 121.004 120.400 0.418 0.000 2.349 144 D HA -0.045 4.596 4.640 0.002 0.000 0.266 144 D C 1.216 177.714 176.300 0.329 0.000 1.293 144 D CA 0.215 54.412 54.000 0.329 0.000 0.926 144 D CB 0.565 41.531 40.800 0.276 0.000 1.090 144 D HN -0.069 nan 8.370 nan 0.000 0.502 145 N N 3.132 121.963 118.700 0.219 0.000 2.417 145 N HA -0.178 4.563 4.740 0.002 0.000 0.187 145 N C 1.551 176.869 175.510 -0.320 0.000 1.027 145 N CA 1.002 53.989 53.050 -0.106 0.000 0.891 145 N CB -0.132 38.340 38.487 -0.025 0.000 0.956 145 N HN 0.559 nan 8.380 nan 0.000 0.442 146 A N -0.600 122.076 122.820 -0.240 0.000 2.070 146 A HA -0.125 4.196 4.320 0.002 0.000 0.220 146 A C 0.968 178.265 177.584 -0.477 0.000 1.159 146 A CA 0.984 52.791 52.037 -0.382 0.000 0.656 146 A CB -0.525 18.193 19.000 -0.470 0.000 0.800 146 A HN 0.365 nan 8.150 nan 0.000 0.453 147 Y N -1.074 119.119 120.300 -0.178 0.000 2.524 147 Y HA 0.266 4.817 4.550 0.002 0.000 0.266 147 Y C 1.925 177.660 175.900 -0.275 0.000 1.180 147 Y CA -0.375 57.647 58.100 -0.129 0.000 1.244 147 Y CB -0.557 37.924 38.460 0.035 0.000 1.125 147 Y HN 0.198 nan 8.280 nan 0.000 0.524 148 M N 0.013 119.263 119.600 -0.584 0.000 2.539 148 M HA -0.327 4.154 4.480 0.002 0.000 0.265 148 M C 1.339 177.468 176.300 -0.286 0.000 1.064 148 M CA 2.066 56.830 55.300 -0.894 0.000 1.077 148 M CB -0.382 31.617 32.600 -1.001 0.000 1.246 148 M HN 0.228 nan 8.290 nan 0.000 0.470 149 E N 0.041 120.117 120.200 -0.206 0.000 2.416 149 E HA -0.002 4.349 4.350 0.002 0.000 0.189 149 E C -0.264 176.327 176.600 -0.015 0.000 1.091 149 E CA 0.216 56.570 56.400 -0.078 0.000 0.889 149 E CB 0.063 29.714 29.700 -0.082 0.000 1.015 149 E HN 0.399 nan 8.360 nan 0.000 0.479 150 K N 0.803 121.216 120.400 0.022 0.000 3.022 150 K HA 0.261 4.582 4.320 0.002 0.000 0.178 150 K C -0.977 175.702 176.600 0.133 0.000 1.089 150 K CA -0.358 55.976 56.287 0.079 0.000 0.916 150 K CB 0.646 33.201 32.500 0.092 0.000 1.159 150 K HN -0.011 nan 8.250 nan 0.000 0.592 151 C N 1.112 120.479 119.300 0.112 0.000 2.452 151 C HA 0.368 4.829 4.460 0.002 0.000 0.379 151 C C 0.548 175.579 174.990 0.068 0.000 1.275 151 C CA -0.214 58.871 59.018 0.111 0.000 2.056 151 C CB 0.080 27.900 27.740 0.133 0.000 2.506 151 C HN 0.677 nan 8.230 nan 0.000 0.560 152 D N -0.262 120.165 120.400 0.043 0.000 2.592 152 D HA 0.242 4.883 4.640 0.002 0.000 0.263 152 D C 0.738 177.048 176.300 0.017 0.000 1.132 152 D CA -0.548 53.468 54.000 0.027 0.000 0.996 152 D CB 1.001 41.812 40.800 0.018 0.000 1.442 152 D HN 0.685 nan 8.370 nan 0.000 0.486 153 E N -0.316 119.893 120.200 0.014 0.000 2.515 153 E HA -0.075 4.276 4.350 0.002 0.000 0.201 153 E C 0.293 176.894 176.600 0.001 0.000 1.071 153 E CA 0.862 57.268 56.400 0.010 0.000 0.880 153 E CB -0.344 29.362 29.700 0.010 0.000 0.828 153 E HN 0.381 nan 8.360 nan 0.000 0.540 154 N N -0.025 118.670 118.700 -0.007 0.000 2.382 154 N HA 0.243 4.984 4.740 0.002 0.000 0.200 154 N C -0.223 175.262 175.510 -0.042 0.000 1.122 154 N CA -0.174 52.864 53.050 -0.019 0.000 0.870 154 N CB 1.123 39.597 38.487 -0.020 0.000 1.176 154 N HN 0.060 nan 8.380 nan 0.000 0.474 155 I N 1.482 122.017 120.570 -0.058 0.000 2.533 155 I HA 0.384 4.555 4.170 0.002 0.000 0.290 155 I C -2.019 174.082 176.117 -0.025 0.000 1.056 155 I CA -0.914 60.321 61.300 -0.108 0.000 1.057 155 I CB 1.926 39.741 38.000 -0.308 0.000 1.240 155 I HN -0.174 nan 8.210 nan 0.000 0.423 156 L N 8.365 129.598 121.223 0.016 0.000 2.376 156 L HA 0.539 4.881 4.340 0.002 0.000 0.275 156 L C -1.810 175.150 176.870 0.151 0.000 0.987 156 L CA -0.118 54.772 54.840 0.083 0.000 0.828 156 L CB 1.524 43.613 42.059 0.050 0.000 1.249 156 L HN 0.711 nan 8.230 nan 0.000 0.409 157 W N 6.704 128.030 121.300 0.043 0.000 2.417 157 W HA 0.702 5.363 4.660 0.002 0.000 0.317 157 W C -1.586 174.974 176.519 0.068 0.000 1.121 157 W CA -0.503 56.886 57.345 0.073 0.000 1.208 157 W CB 1.017 30.541 29.460 0.106 0.000 1.253 157 W HN 0.450 nan 8.180 nan 0.000 0.533 158 L N 5.605 126.336 121.223 -0.819 0.000 2.370 158 L HA 0.271 4.612 4.340 0.002 0.000 0.266 158 L C 0.544 176.640 176.870 -1.289 0.000 1.002 158 L CA -0.872 53.522 54.840 -0.743 0.000 0.818 158 L CB 2.184 44.045 42.059 -0.329 0.000 1.325 158 L HN 0.522 nan 8.230 nan 0.000 0.418 159 D N -0.618 119.277 120.400 -0.842 0.000 2.340 159 D HA -0.102 4.539 4.640 0.002 0.000 0.220 159 D C 0.193 176.401 176.300 -0.153 0.000 1.039 159 D CA 0.190 53.846 54.000 -0.572 0.000 0.866 159 D CB -0.131 40.556 40.800 -0.188 0.000 0.913 159 D HN 0.406 nan 8.370 nan 0.000 0.523 160 Y N 1.730 121.866 120.300 -0.273 0.000 2.556 160 Y HA 0.145 4.696 4.550 0.002 0.000 0.352 160 Y C 0.802 176.633 175.900 -0.115 0.000 1.006 160 Y CA -1.019 56.997 58.100 -0.140 0.000 1.277 160 Y CB 0.713 39.109 38.460 -0.107 0.000 1.136 160 Y HN -0.308 nan 8.280 nan 0.000 0.523 161 K N 3.446 123.825 120.400 -0.035 0.000 2.283 161 K HA -0.095 4.226 4.320 0.002 0.000 0.202 161 K C 0.248 176.661 176.600 -0.313 0.000 1.048 161 K CA 0.781 56.985 56.287 -0.139 0.000 0.948 161 K CB -0.014 32.484 32.500 -0.003 0.000 0.742 161 K HN 0.673 nan 8.250 nan 0.000 0.458 162 N N 0.879 119.184 118.700 -0.659 0.000 2.251 162 N HA 0.045 4.786 4.740 0.002 0.000 0.217 162 N C 1.134 176.120 175.510 -0.873 0.000 1.124 162 N CA -0.100 52.588 53.050 -0.603 0.000 0.843 162 N CB 0.097 38.412 38.487 -0.286 0.000 1.024 162 N HN -0.012 nan 8.380 nan 0.000 0.501 163 I N 0.383 120.306 120.570 -1.079 0.000 2.145 163 I HA -0.361 3.810 4.170 0.002 0.000 0.244 163 I C 1.278 177.235 176.117 -0.267 0.000 1.075 163 I CA 1.386 62.319 61.300 -0.612 0.000 1.332 163 I CB -0.523 37.288 38.000 -0.315 0.000 1.033 163 I HN 0.236 nan 8.210 nan 0.000 0.410 164 C N 0.541 119.710 119.300 -0.219 0.000 2.432 164 C HA -0.107 4.354 4.460 0.002 0.000 0.280 164 C C 2.541 177.468 174.990 -0.103 0.000 1.353 164 C CA 0.490 59.428 59.018 -0.133 0.000 1.766 164 C CB -1.003 26.675 27.740 -0.103 0.000 1.924 164 C HN 0.455 nan 8.230 nan 0.000 0.509 165 K N 0.994 121.326 120.400 -0.115 0.000 2.228 165 K HA -0.025 4.296 4.320 0.002 0.000 0.202 165 K C 1.561 178.142 176.600 -0.031 0.000 1.051 165 K CA 1.235 57.484 56.287 -0.064 0.000 0.960 165 K CB -0.045 32.422 32.500 -0.056 0.000 0.743 165 K HN 0.566 nan 8.250 nan 0.000 0.458 166 V N -2.271 117.630 119.914 -0.021 0.000 3.621 166 V HA 0.190 4.311 4.120 0.002 0.000 0.285 166 V C 0.450 176.560 176.094 0.026 0.000 1.346 166 V CA -0.422 61.901 62.300 0.037 0.000 1.104 166 V CB 0.076 31.977 31.823 0.131 0.000 0.913 166 V HN -0.193 nan 8.190 nan 0.000 0.432 167 V N 0.625 120.534 119.914 -0.008 0.000 2.960 167 V HA 0.699 4.820 4.120 0.002 0.000 0.315 167 V C -0.462 175.610 176.094 -0.036 0.000 1.087 167 V CA -0.466 61.823 62.300 -0.017 0.000 0.982 167 V CB 2.251 34.059 31.823 -0.025 0.000 1.039 167 V HN 0.412 nan 8.190 nan 0.000 0.437 168 E N 0.364 120.540 120.200 -0.039 0.000 2.433 168 E HA 0.368 4.719 4.350 0.002 0.000 0.273 168 E C -1.148 175.420 176.600 -0.054 0.000 0.950 168 E CA -0.801 55.572 56.400 -0.046 0.000 0.796 168 E CB 2.457 32.135 29.700 -0.036 0.000 1.330 168 E HN 0.425 nan 8.360 nan 0.000 0.455 169 V N 1.118 120.998 119.914 -0.056 0.000 2.557 169 V HA 0.326 4.447 4.120 0.002 0.000 0.301 169 V C 1.022 177.086 176.094 -0.050 0.000 1.026 169 V CA 2.232 64.497 62.300 -0.059 0.000 1.137 169 V CB -0.353 31.436 31.823 -0.056 0.000 0.917 169 V HN 0.944 nan 8.190 nan 0.000 0.484 170 G N 3.893 112.662 108.800 -0.053 0.000 2.238 170 G HA2 -0.212 3.749 3.960 0.002 0.000 0.217 170 G HA3 -0.212 3.749 3.960 0.002 0.000 0.217 170 G C 0.469 175.338 174.900 -0.051 0.000 0.996 170 G CA 0.146 45.217 45.100 -0.048 0.000 0.632 170 G HN 1.087 nan 8.290 nan 0.000 0.503 171 S N 0.474 116.143 115.700 -0.052 0.000 2.576 171 S HA 0.449 4.920 4.470 0.002 0.000 0.272 171 S C 0.347 174.908 174.600 -0.066 0.000 1.352 171 S CA 0.458 58.628 58.200 -0.049 0.000 1.021 171 S CB 1.466 64.643 63.200 -0.039 0.000 0.887 171 S HN 0.584 nan 8.310 nan 0.000 0.542 172 K N 1.172 121.531 120.400 -0.068 0.000 2.156 172 K HA 0.550 4.871 4.320 0.002 0.000 0.254 172 K C -1.358 175.165 176.600 -0.129 0.000 0.950 172 K CA -0.578 55.627 56.287 -0.136 0.000 0.849 172 K CB 0.565 32.970 32.500 -0.159 0.000 1.100 172 K HN 0.356 nan 8.250 nan 0.000 0.434 173 I N 4.276 124.717 120.570 -0.216 0.000 2.512 173 I HA 0.224 4.395 4.170 0.002 0.000 0.287 173 I C -1.189 174.807 176.117 -0.201 0.000 1.069 173 I CA -0.663 60.566 61.300 -0.118 0.000 1.056 173 I CB 1.212 39.177 38.000 -0.059 0.000 1.229 173 I HN 0.633 nan 8.210 nan 0.000 0.429 174 Y N 4.765 125.073 120.300 0.012 0.000 2.361 174 Y HA 0.594 5.145 4.550 0.002 0.000 0.332 174 Y C 0.344 176.249 175.900 0.009 0.000 1.101 174 Y CA -0.676 57.431 58.100 0.012 0.000 1.137 174 Y CB 1.913 40.383 38.460 0.016 0.000 1.207 174 Y HN 0.205 nan 8.280 nan 0.000 0.463 175 V N 2.496 122.507 119.914 0.160 0.000 2.540 175 V HA 0.279 4.400 4.120 0.002 0.000 0.302 175 V C -0.662 175.488 176.094 0.092 0.000 1.035 175 V CA -1.075 61.282 62.300 0.096 0.000 0.873 175 V CB 1.581 33.437 31.823 0.055 0.000 0.992 175 V HN 0.873 nan 8.190 nan 0.000 0.428 176 D N 3.609 124.050 120.400 0.068 0.000 2.872 176 D HA -0.155 4.486 4.640 0.002 0.000 0.248 176 D C 0.130 176.462 176.300 0.053 0.000 1.104 176 D CA 1.078 55.110 54.000 0.055 0.000 0.784 176 D CB -1.074 39.758 40.800 0.053 0.000 1.036 176 D HN 0.955 nan 8.370 nan 0.000 0.426 177 D N -0.613 119.811 120.400 0.040 0.000 2.746 177 D HA -0.093 4.548 4.640 0.002 0.000 0.236 177 D C 1.289 177.594 176.300 0.008 0.000 1.129 177 D CA 2.437 56.446 54.000 0.015 0.000 0.691 177 D CB -1.318 39.491 40.800 0.016 0.000 1.077 177 D HN 0.997 nan 8.370 nan 0.000 0.432 178 G N -1.340 107.494 108.800 0.057 0.000 2.189 178 G HA2 -0.417 3.544 3.960 0.002 0.000 0.267 178 G HA3 -0.417 3.544 3.960 0.002 0.000 0.267 178 G C 1.222 176.239 174.900 0.195 0.000 0.975 178 G CA 0.623 45.787 45.100 0.107 0.000 0.644 178 G HN 0.531 nan 8.290 nan 0.000 0.537 179 L N -0.907 120.387 121.223 0.118 0.000 2.042 179 L HA 0.067 4.408 4.340 0.002 0.000 0.210 179 L C 1.317 178.255 176.870 0.112 0.000 1.076 179 L CA 1.045 55.943 54.840 0.096 0.000 0.749 179 L CB -0.244 41.853 42.059 0.064 0.000 0.893 179 L HN 0.298 nan 8.230 nan 0.000 0.432 180 I N -1.579 119.063 120.570 0.121 0.000 2.460 180 I HA 0.221 4.392 4.170 0.002 0.000 0.298 180 I C 0.098 176.251 176.117 0.059 0.000 0.989 180 I CA 0.287 61.634 61.300 0.077 0.000 1.173 180 I CB 1.826 39.854 38.000 0.048 0.000 1.338 180 I HN -0.200 nan 8.210 nan 0.000 0.456 181 S N 5.579 121.259 115.700 -0.033 0.000 2.566 181 S HA 0.933 5.404 4.470 0.002 0.000 0.298 181 S C -0.984 173.517 174.600 -0.166 0.000 1.083 181 S CA -0.489 57.586 58.200 -0.209 0.000 0.978 181 S CB 0.781 63.837 63.200 -0.240 0.000 1.073 181 S HN 0.472 nan 8.310 nan 0.000 0.491 182 L N 2.016 123.107 121.223 -0.220 0.000 2.479 182 L HA 0.610 4.951 4.340 0.002 0.000 0.255 182 L C -0.951 175.829 176.870 -0.149 0.000 1.026 182 L CA -0.738 54.018 54.840 -0.140 0.000 0.842 182 L CB 2.393 44.392 42.059 -0.099 0.000 1.444 182 L HN 0.601 nan 8.230 nan 0.000 0.409 183 Q N 0.691 120.429 119.800 -0.104 0.000 2.285 183 Q HA 0.455 4.796 4.340 0.002 0.000 0.269 183 Q C -1.504 174.449 176.000 -0.078 0.000 1.030 183 Q CA -0.661 55.086 55.803 -0.093 0.000 0.788 183 Q CB 2.833 31.522 28.738 -0.081 0.000 1.266 183 Q HN 0.453 nan 8.270 nan 0.000 0.438 184 V N 4.849 124.717 119.914 -0.077 0.000 2.458 184 V HA -0.065 4.056 4.120 0.002 0.000 0.287 184 V C 0.500 176.549 176.094 -0.075 0.000 1.009 184 V CA 0.683 62.935 62.300 -0.080 0.000 1.091 184 V CB 0.678 32.454 31.823 -0.079 0.000 0.960 184 V HN 0.779 nan 8.190 nan 0.000 0.476 185 K N 3.004 123.356 120.400 -0.080 0.000 2.214 185 K HA 0.236 4.557 4.320 0.002 0.000 0.210 185 K C 0.414 176.964 176.600 -0.083 0.000 1.036 185 K CA 0.657 56.902 56.287 -0.070 0.000 0.958 185 K CB 0.114 32.578 32.500 -0.059 0.000 0.973 185 K HN 0.660 nan 8.250 nan 0.000 0.466 186 Q N 0.271 120.002 119.800 -0.114 0.000 2.337 186 Q HA 0.340 4.681 4.340 0.002 0.000 0.270 186 Q C -1.442 174.423 176.000 -0.225 0.000 1.043 186 Q CA -0.287 55.432 55.803 -0.140 0.000 0.794 186 Q CB 2.154 30.819 28.738 -0.122 0.000 1.281 186 Q HN -0.109 nan 8.270 nan 0.000 0.446 187 K N 1.741 122.021 120.400 -0.200 0.000 2.231 187 K HA 0.383 4.704 4.320 0.002 0.000 0.275 187 K C 0.349 176.768 176.600 -0.301 0.000 1.105 187 K CA -0.302 55.841 56.287 -0.239 0.000 0.931 187 K CB 0.669 33.083 32.500 -0.144 0.000 1.296 187 K HN 0.780 nan 8.250 nan 0.000 0.446 188 G N 1.345 109.773 108.800 -0.620 0.000 2.479 188 G HA2 0.139 4.100 3.960 0.002 0.000 0.275 188 G HA3 0.139 4.100 3.960 0.002 0.000 0.275 188 G C 0.837 175.675 174.900 -0.103 0.000 1.421 188 G CA 0.209 44.933 45.100 -0.626 0.000 1.059 188 G HN 0.562 nan 8.290 nan 0.000 0.535 189 A N -0.418 122.563 122.820 0.268 0.000 1.843 189 A HA 0.155 4.476 4.320 0.002 0.000 0.213 189 A C 1.529 179.227 177.584 0.190 0.000 1.239 189 A CA 1.871 54.024 52.037 0.193 0.000 0.606 189 A CB -0.198 18.919 19.000 0.196 0.000 0.903 189 A HN 0.577 nan 8.150 nan 0.000 0.455 190 D N -1.166 119.434 120.400 0.333 0.000 2.755 190 D HA 0.396 5.037 4.640 0.002 0.000 0.257 190 D C -0.177 176.342 176.300 0.364 0.000 1.291 190 D CA -0.395 53.746 54.000 0.235 0.000 0.836 190 D CB -0.564 40.330 40.800 0.156 0.000 1.059 190 D HN 0.519 nan 8.370 nan 0.000 0.486 191 F N -2.143 117.802 119.950 -0.008 0.000 2.926 191 F HA 0.637 5.165 4.527 0.002 0.000 0.321 191 F C -2.369 173.414 175.800 -0.028 0.000 1.168 191 F CA -1.525 56.467 58.000 -0.014 0.000 0.890 191 F CB 1.212 40.215 39.000 0.005 0.000 1.357 191 F HN -0.220 nan 8.300 nan 0.000 0.468 192 L N 2.494 123.572 121.223 -0.242 0.000 2.445 192 L HA 0.718 5.059 4.340 0.002 0.000 0.262 192 L C -1.015 175.725 176.870 -0.217 0.000 0.974 192 L CA -1.420 53.210 54.840 -0.349 0.000 0.822 192 L CB 2.323 44.275 42.059 -0.179 0.000 1.339 192 L HN 0.739 nan 8.230 nan 0.000 0.409 193 V N -1.146 118.627 119.914 -0.235 0.000 2.435 193 V HA 0.867 4.988 4.120 0.002 0.000 0.290 193 V C -0.371 175.671 176.094 -0.087 0.000 1.030 193 V CA -0.128 62.111 62.300 -0.102 0.000 0.881 193 V CB 1.437 33.211 31.823 -0.081 0.000 0.983 193 V HN 0.843 nan 8.190 nan 0.000 0.445 194 T N 2.804 117.325 114.554 -0.055 0.000 2.900 194 T HA 0.448 4.799 4.350 0.002 0.000 0.303 194 T C -1.026 173.648 174.700 -0.042 0.000 1.142 194 T CA -0.448 61.618 62.100 -0.056 0.000 1.007 194 T CB 2.015 70.846 68.868 -0.063 0.000 1.156 194 T HN 1.102 nan 8.240 nan 0.000 0.490 195 E N 2.422 122.594 120.200 -0.046 0.000 2.197 195 E HA 0.479 4.830 4.350 0.002 0.000 0.281 195 E C -0.583 175.991 176.600 -0.043 0.000 0.995 195 E CA -0.730 55.648 56.400 -0.037 0.000 0.808 195 E CB 1.081 30.760 29.700 -0.035 0.000 1.093 195 E HN 0.461 nan 8.360 nan 0.000 0.394 196 V N 6.031 125.925 119.914 -0.033 0.000 2.324 196 V HA -0.037 4.084 4.120 0.002 0.000 0.244 196 V C 1.109 177.182 176.094 -0.035 0.000 1.144 196 V CA 0.489 62.769 62.300 -0.034 0.000 1.158 196 V CB -0.189 31.623 31.823 -0.019 0.000 1.254 196 V HN 0.842 nan 8.190 nan 0.000 0.492 197 E N 2.593 122.762 120.200 -0.052 0.000 2.160 197 E HA -0.171 4.180 4.350 0.002 0.000 0.195 197 E C 1.246 177.828 176.600 -0.029 0.000 0.991 197 E CA 1.227 57.599 56.400 -0.046 0.000 0.810 197 E CB 0.299 29.956 29.700 -0.071 0.000 0.742 197 E HN 0.871 nan 8.360 nan 0.000 0.466 198 N N -1.074 117.609 118.700 -0.027 0.000 3.117 198 N HA 0.385 5.126 4.740 0.002 0.000 0.332 198 N C -0.307 175.204 175.510 0.002 0.000 1.385 198 N CA -0.015 53.034 53.050 -0.003 0.000 0.683 198 N CB 1.692 40.187 38.487 0.014 0.000 1.272 198 N HN 0.049 nan 8.380 nan 0.000 0.522 199 G N -2.034 106.774 108.800 0.013 0.000 2.349 199 G HA2 0.514 4.475 3.960 0.002 0.000 0.294 199 G HA3 0.514 4.475 3.960 0.002 0.000 0.294 199 G C -1.166 173.747 174.900 0.022 0.000 1.380 199 G CA -0.019 45.089 45.100 0.013 0.000 0.811 199 G HN 0.945 nan 8.290 nan 0.000 0.519 200 G N -1.370 107.442 108.800 0.020 0.000 2.347 200 G HA2 0.521 4.482 3.960 0.002 0.000 0.477 200 G HA3 0.521 4.482 3.960 0.002 0.000 0.477 200 G C -0.060 174.853 174.900 0.023 0.000 1.349 200 G CA 0.505 45.619 45.100 0.023 0.000 1.000 200 G HN 2.178 nan 8.290 nan 0.000 0.605 201 S N -0.701 115.013 115.700 0.024 0.000 2.498 201 S HA 0.470 4.941 4.470 0.002 0.000 0.281 201 S C 0.057 174.674 174.600 0.028 0.000 1.265 201 S CA -0.231 57.983 58.200 0.024 0.000 1.071 201 S CB 1.375 64.589 63.200 0.022 0.000 0.894 201 S HN 1.807 nan 8.310 nan 0.000 0.491 202 L N 4.618 125.858 121.223 0.029 0.000 2.264 202 L HA 0.784 5.125 4.340 0.002 0.000 0.289 202 L C 0.413 177.305 176.870 0.037 0.000 1.044 202 L CA 0.122 54.983 54.840 0.034 0.000 0.807 202 L CB 0.754 42.834 42.059 0.034 0.000 1.192 202 L HN 0.883 nan 8.230 nan 0.000 0.425 203 G N 2.825 111.650 108.800 0.040 0.000 2.702 203 G HA2 0.564 4.525 3.960 0.002 0.000 0.254 203 G HA3 0.564 4.525 3.960 0.002 0.000 0.254 203 G C -0.943 173.988 174.900 0.052 0.000 1.380 203 G CA -0.611 44.514 45.100 0.042 0.000 1.042 203 G HN 0.631 nan 8.290 nan 0.000 0.557 204 S N -0.418 115.315 115.700 0.054 0.000 2.608 204 S HA 0.406 4.877 4.470 0.002 0.000 0.291 204 S C -0.249 174.395 174.600 0.074 0.000 1.146 204 S CA -0.464 57.777 58.200 0.069 0.000 1.043 204 S CB 1.358 64.594 63.200 0.060 0.000 1.037 204 S HN 0.871 nan 8.310 nan 0.000 0.520 205 K N 0.429 120.888 120.400 0.097 0.000 3.730 205 K HA -0.209 4.112 4.320 0.002 0.000 0.276 205 K C -0.915 175.726 176.600 0.068 0.000 0.904 205 K CA 0.905 57.249 56.287 0.096 0.000 0.741 205 K CB -1.367 31.187 32.500 0.090 0.000 1.542 205 K HN 0.170 nan 8.250 nan 0.000 0.446 206 K N 1.147 121.583 120.400 0.061 0.000 2.123 206 K HA 0.381 4.702 4.320 0.002 0.000 0.259 206 K C 0.670 177.286 176.600 0.027 0.000 0.960 206 K CA -0.064 56.250 56.287 0.045 0.000 0.872 206 K CB 1.822 34.351 32.500 0.048 0.000 1.079 206 K HN 0.470 nan 8.250 nan 0.000 0.440 207 G N 0.728 109.538 108.800 0.016 0.000 2.406 207 G HA2 0.342 4.303 3.960 0.002 0.000 0.251 207 G HA3 0.342 4.303 3.960 0.002 0.000 0.251 207 G C -0.434 174.468 174.900 0.002 0.000 1.271 207 G CA -0.325 44.769 45.100 -0.010 0.000 0.859 207 G HN 0.223 nan 8.290 nan 0.000 0.540 208 V N 3.363 123.267 119.914 -0.016 0.000 2.667 208 V HA 0.458 4.579 4.120 0.002 0.000 0.308 208 V C -0.329 175.775 176.094 0.016 0.000 1.048 208 V CA -1.097 61.213 62.300 0.017 0.000 0.928 208 V CB 1.979 33.808 31.823 0.011 0.000 1.004 208 V HN 0.747 nan 8.190 nan 0.000 0.444 209 N N 2.956 121.711 118.700 0.093 0.000 2.258 209 N HA 0.536 5.277 4.740 0.002 0.000 0.299 209 N C -1.575 174.045 175.510 0.184 0.000 1.047 209 N CA -0.521 52.602 53.050 0.123 0.000 0.814 209 N CB 2.525 41.085 38.487 0.120 0.000 1.413 209 N HN 0.318 nan 8.380 nan 0.000 0.478 210 L N 3.354 124.678 121.223 0.170 0.000 2.506 210 L HA 0.339 4.680 4.340 0.002 0.000 0.247 210 L C -2.110 174.851 176.870 0.153 0.000 1.141 210 L CA -1.872 53.062 54.840 0.156 0.000 0.973 210 L CB 0.457 42.606 42.059 0.150 0.000 1.319 210 L HN 0.259 nan 8.230 nan 0.000 0.455 211 P HA 0.036 nan 4.420 nan 0.000 0.258 211 P C 1.047 178.377 177.300 0.049 0.000 1.172 211 P CA 1.090 64.280 63.100 0.150 0.000 0.762 211 P CB 0.747 32.596 31.700 0.249 0.000 0.764 212 G N 2.304 111.104 108.800 -0.001 0.000 2.212 212 G HA2 -0.221 3.740 3.960 0.002 0.000 0.266 212 G HA3 -0.221 3.740 3.960 0.002 0.000 0.266 212 G C 0.359 175.208 174.900 -0.085 0.000 0.978 212 G CA 0.156 45.146 45.100 -0.183 0.000 0.632 212 G HN 0.912 nan 8.290 nan 0.000 0.537 213 A N 0.142 122.969 122.820 0.013 0.000 2.331 213 A HA 0.833 5.154 4.320 0.002 0.000 0.283 213 A C 0.773 178.395 177.584 0.064 0.000 1.142 213 A CA 0.800 52.862 52.037 0.043 0.000 0.812 213 A CB 0.983 20.033 19.000 0.082 0.000 1.074 213 A HN 1.950 nan 8.150 nan 0.000 0.497 214 A N 3.125 125.979 122.820 0.058 0.000 2.915 214 A HA 0.481 4.802 4.320 0.002 0.000 0.292 214 A C 0.214 177.854 177.584 0.093 0.000 1.632 214 A CA -0.289 51.780 52.037 0.052 0.000 1.337 214 A CB -0.991 18.032 19.000 0.039 0.000 1.111 214 A HN 0.851 nan 8.150 nan 0.000 0.569 215 V N 2.702 122.679 119.914 0.105 0.000 2.540 215 V HA -0.015 4.106 4.120 0.002 0.000 0.297 215 V C 0.857 177.016 176.094 0.109 0.000 1.024 215 V CA 0.897 63.281 62.300 0.139 0.000 1.105 215 V CB 0.623 32.535 31.823 0.148 0.000 0.938 215 V HN 0.948 nan 8.190 nan 0.000 0.482 216 D N 3.384 123.890 120.400 0.177 0.000 2.427 216 D HA 0.155 4.796 4.640 0.002 0.000 0.224 216 D C 0.282 176.651 176.300 0.116 0.000 1.157 216 D CA -0.321 53.763 54.000 0.139 0.000 0.828 216 D CB -0.126 40.770 40.800 0.159 0.000 0.974 216 D HN 0.420 nan 8.370 nan 0.000 0.498 217 L N 0.277 121.523 121.223 0.039 0.000 2.483 217 L HA 0.210 4.551 4.340 0.002 0.000 0.275 217 L C -1.650 175.259 176.870 0.065 0.000 1.220 217 L CA -1.501 53.349 54.840 0.017 0.000 0.833 217 L CB -0.027 41.980 42.059 -0.087 0.000 1.102 217 L HN -0.105 nan 8.230 nan 0.000 0.490 218 P HA -0.028 nan 4.420 nan 0.000 0.268 218 P C 0.044 177.384 177.300 0.067 0.000 1.208 218 P CA 0.008 63.143 63.100 0.058 0.000 0.777 218 P CB 0.690 32.421 31.700 0.052 0.000 0.875 219 A N 2.302 125.156 122.820 0.057 0.000 1.978 219 A HA -0.037 4.284 4.320 0.002 0.000 0.220 219 A C 0.872 178.496 177.584 0.066 0.000 1.170 219 A CA 2.053 54.124 52.037 0.058 0.000 0.636 219 A CB -1.016 18.003 19.000 0.033 0.000 0.810 219 A HN 0.495 nan 8.150 nan 0.000 0.448 220 V N -3.034 116.912 119.914 0.053 0.000 2.962 220 V HA 0.712 4.833 4.120 0.002 0.000 0.313 220 V C -0.107 176.011 176.094 0.039 0.000 1.099 220 V CA -0.445 61.883 62.300 0.046 0.000 0.971 220 V CB 1.435 33.281 31.823 0.039 0.000 1.028 220 V HN 0.544 nan 8.190 nan 0.000 0.430 221 S N 1.413 117.132 115.700 0.033 0.000 2.681 221 S HA 0.349 4.820 4.470 0.002 0.000 0.270 221 S C 0.960 175.583 174.600 0.038 0.000 1.209 221 S CA 0.253 58.470 58.200 0.028 0.000 0.988 221 S CB 1.292 64.501 63.200 0.015 0.000 1.006 221 S HN 1.143 nan 8.310 nan 0.000 0.558 222 E N 0.979 121.202 120.200 0.039 0.000 2.204 222 E HA -0.203 4.148 4.350 0.002 0.000 0.194 222 E C 1.630 178.262 176.600 0.053 0.000 0.989 222 E CA 1.247 57.674 56.400 0.045 0.000 0.824 222 E CB -0.348 29.377 29.700 0.042 0.000 0.756 222 E HN 0.797 nan 8.360 nan 0.000 0.477 223 K N 0.827 121.259 120.400 0.053 0.000 2.062 223 K HA -0.129 4.192 4.320 0.002 0.000 0.205 223 K C 1.608 178.265 176.600 0.095 0.000 1.051 223 K CA 1.501 57.832 56.287 0.073 0.000 0.941 223 K CB 0.026 32.565 32.500 0.064 0.000 0.719 223 K HN -0.081 nan 8.250 nan 0.000 0.440 224 D N 1.110 121.550 120.400 0.067 0.000 2.123 224 D HA -0.174 4.467 4.640 0.002 0.000 0.196 224 D C 1.935 178.264 176.300 0.048 0.000 0.992 224 D CA 1.248 55.279 54.000 0.050 0.000 0.833 224 D CB -0.168 40.652 40.800 0.034 0.000 0.954 224 D HN 0.308 nan 8.370 nan 0.000 0.455 225 I N 0.823 121.427 120.570 0.056 0.000 2.127 225 I HA -0.292 3.879 4.170 0.002 0.000 0.241 225 I C 2.506 178.674 176.117 0.084 0.000 1.075 225 I CA 1.114 62.449 61.300 0.058 0.000 1.334 225 I CB -0.193 37.840 38.000 0.056 0.000 1.040 225 I HN -0.040 nan 8.210 nan 0.000 0.405 226 Q N 0.375 120.247 119.800 0.120 0.000 2.119 226 Q HA -0.187 4.154 4.340 0.002 0.000 0.201 226 Q C 1.852 178.012 176.000 0.265 0.000 0.972 226 Q CA 1.422 57.341 55.803 0.193 0.000 0.847 226 Q CB -0.427 28.426 28.738 0.192 0.000 0.903 226 Q HN 0.518 nan 8.270 nan 0.000 0.433 227 D N 0.471 121.007 120.400 0.226 0.000 2.117 227 D HA -0.113 4.528 4.640 0.002 0.000 0.197 227 D C 2.136 178.409 176.300 -0.046 0.000 0.987 227 D CA 0.688 54.764 54.000 0.126 0.000 0.829 227 D CB -0.204 40.625 40.800 0.048 0.000 0.961 227 D HN 0.191 nan 8.370 nan 0.000 0.460 228 L N 0.645 121.844 121.223 -0.040 0.000 2.046 228 L HA -0.171 4.170 4.340 0.002 0.000 0.208 228 L C 2.397 179.255 176.870 -0.020 0.000 1.077 228 L CA 1.027 55.827 54.840 -0.066 0.000 0.747 228 L CB -0.254 41.785 42.059 -0.033 0.000 0.896 228 L HN -0.052 nan 8.230 nan 0.000 0.432 229 K N -0.309 120.119 120.400 0.047 0.000 2.026 229 K HA -0.210 4.111 4.320 0.002 0.000 0.208 229 K C 2.042 178.682 176.600 0.067 0.000 1.048 229 K CA 1.524 57.848 56.287 0.062 0.000 0.929 229 K CB -0.802 31.762 32.500 0.107 0.000 0.713 229 K HN 0.165 nan 8.250 nan 0.000 0.439 230 F N 1.784 121.697 119.950 -0.061 0.000 2.126 230 F HA -0.157 4.371 4.527 0.001 0.000 0.299 230 F C 2.157 177.879 175.800 -0.130 0.000 1.096 230 F CA 1.903 59.827 58.000 -0.126 0.000 1.255 230 F CB -0.742 38.031 39.000 -0.379 0.000 0.997 230 F HN 0.094 nan 8.300 nan 0.000 0.479 231 G N -0.077 108.633 108.800 -0.149 0.000 2.440 231 G HA2 -0.232 3.729 3.960 0.002 0.000 0.218 231 G HA3 -0.232 3.729 3.960 0.002 0.000 0.218 231 G C 1.768 176.537 174.900 -0.218 0.000 1.154 231 G CA 1.247 46.200 45.100 -0.244 0.000 0.767 231 G HN 0.360 nan 8.290 nan 0.000 0.552 232 V N 1.997 121.824 119.914 -0.145 0.000 2.295 232 V HA -0.192 3.929 4.120 0.002 0.000 0.246 232 V C 2.811 178.828 176.094 -0.129 0.000 1.049 232 V CA 2.381 64.617 62.300 -0.107 0.000 1.024 232 V CB -0.544 31.245 31.823 -0.058 0.000 0.648 232 V HN 0.809 nan 8.190 nan 0.000 0.447 233 E N -0.505 119.599 120.200 -0.160 0.000 2.274 233 E HA -0.212 4.139 4.350 0.002 0.000 0.194 233 E C 1.801 178.258 176.600 -0.238 0.000 0.996 233 E CA 0.784 57.087 56.400 -0.162 0.000 0.840 233 E CB -0.218 29.408 29.700 -0.123 0.000 0.772 233 E HN 0.486 nan 8.360 nan 0.000 0.491 234 Q N 1.034 120.611 119.800 -0.372 0.000 2.403 234 Q HA -0.014 4.327 4.340 0.002 0.000 0.203 234 Q C -0.284 175.597 176.000 -0.198 0.000 0.932 234 Q CA 0.766 56.353 55.803 -0.360 0.000 0.945 234 Q CB 0.034 28.435 28.738 -0.563 0.000 1.045 234 Q HN 0.344 nan 8.270 nan 0.000 0.511 235 D N -0.028 120.277 120.400 -0.159 0.000 2.699 235 D HA -0.148 4.493 4.640 0.002 0.000 0.239 235 D C -0.276 175.972 176.300 -0.087 0.000 1.136 235 D CA 0.525 54.466 54.000 -0.097 0.000 0.668 235 D CB -1.110 39.650 40.800 -0.066 0.000 1.060 235 D HN 0.125 nan 8.370 nan 0.000 0.429 236 V N -2.642 117.204 119.914 -0.113 0.000 3.051 236 V HA 0.315 4.436 4.120 0.002 0.000 0.306 236 V C 1.413 177.464 176.094 -0.072 0.000 1.083 236 V CA 0.298 62.538 62.300 -0.102 0.000 1.104 236 V CB 1.378 33.114 31.823 -0.146 0.000 1.027 236 V HN 0.093 nan 8.190 nan 0.000 0.483 237 D N 2.005 122.370 120.400 -0.058 0.000 2.277 237 D HA 0.159 4.800 4.640 0.002 0.000 0.209 237 D C 0.657 176.940 176.300 -0.027 0.000 0.970 237 D CA 1.434 55.421 54.000 -0.022 0.000 0.874 237 D CB 0.469 41.276 40.800 0.012 0.000 0.982 237 D HN 0.806 nan 8.370 nan 0.000 0.504 238 M N -1.112 118.438 119.600 -0.084 0.000 2.622 238 M HA 0.551 5.032 4.480 0.002 0.000 0.276 238 M C -1.659 174.521 176.300 -0.200 0.000 1.265 238 M CA -0.952 54.300 55.300 -0.081 0.000 0.850 238 M CB 3.124 35.721 32.600 -0.006 0.000 1.720 238 M HN -0.428 nan 8.290 nan 0.000 0.465 239 V N 2.120 121.964 119.914 -0.116 0.000 2.531 239 V HA 0.526 4.647 4.120 0.002 0.000 0.301 239 V C -1.451 174.693 176.094 0.083 0.000 1.034 239 V CA -0.398 61.819 62.300 -0.139 0.000 0.865 239 V CB 2.054 33.830 31.823 -0.080 0.000 0.995 239 V HN 0.687 nan 8.190 nan 0.000 0.424 240 F N 3.747 123.677 119.950 -0.035 0.000 2.334 240 F HA 0.612 5.140 4.527 0.002 0.000 0.365 240 F C 0.821 176.613 175.800 -0.014 0.000 1.124 240 F CA -1.465 56.525 58.000 -0.016 0.000 1.166 240 F CB 0.740 39.739 39.000 -0.002 0.000 1.355 240 F HN 0.523 nan 8.300 nan 0.000 0.532 241 A N 2.655 125.574 122.820 0.166 0.000 2.404 241 A HA 0.501 4.822 4.320 0.002 0.000 0.273 241 A C 0.554 178.197 177.584 0.098 0.000 1.144 241 A CA -0.233 51.861 52.037 0.094 0.000 0.806 241 A CB 0.036 19.070 19.000 0.057 0.000 1.080 241 A HN 0.586 nan 8.150 nan 0.000 0.509 242 S N 1.125 116.888 115.700 0.105 0.000 2.603 242 S HA 0.429 4.900 4.470 0.002 0.000 0.268 242 S C 0.229 174.952 174.600 0.205 0.000 1.317 242 S CA -0.099 58.181 58.200 0.133 0.000 1.012 242 S CB -0.002 63.266 63.200 0.113 0.000 0.926 242 S HN 1.172 nan 8.310 nan 0.000 0.539 243 F N 0.608 120.555 119.950 -0.005 0.000 3.090 243 F HA -0.166 4.362 4.527 0.002 0.000 0.282 243 F C -0.358 175.431 175.800 -0.019 0.000 0.923 243 F CA -0.153 57.837 58.000 -0.016 0.000 0.977 243 F CB -1.173 37.810 39.000 -0.028 0.000 0.954 243 F HN 0.357 nan 8.300 nan 0.000 0.695 244 I N 2.820 123.370 120.570 -0.034 0.000 2.517 244 I HA 0.086 4.257 4.170 0.002 0.000 0.285 244 I C 1.465 177.468 176.117 -0.190 0.000 1.106 244 I CA 0.431 61.672 61.300 -0.097 0.000 1.402 244 I CB 0.883 38.848 38.000 -0.058 0.000 1.399 244 I HN 0.337 nan 8.210 nan 0.000 0.535 245 R N 5.790 126.157 120.500 -0.223 0.000 2.549 245 R HA 0.269 4.610 4.340 0.002 0.000 0.361 245 R C -0.418 175.792 176.300 -0.150 0.000 0.969 245 R CA -0.298 55.669 56.100 -0.222 0.000 1.158 245 R CB 0.559 30.653 30.300 -0.342 0.000 1.456 245 R HN 0.687 nan 8.270 nan 0.000 0.540 246 K N -1.862 118.454 120.400 -0.141 0.000 2.597 246 K HA 0.578 4.899 4.320 0.002 0.000 0.282 246 K C 0.004 176.499 176.600 -0.174 0.000 0.975 246 K CA -0.249 55.960 56.287 -0.130 0.000 0.867 246 K CB 1.122 33.563 32.500 -0.098 0.000 1.465 246 K HN -0.198 nan 8.250 nan 0.000 0.417 247 A N 1.336 124.034 122.820 -0.204 0.000 1.917 247 A HA -0.232 4.089 4.320 0.002 0.000 0.219 247 A C 2.127 179.379 177.584 -0.554 0.000 1.182 247 A CA 2.646 54.472 52.037 -0.351 0.000 0.633 247 A CB -1.269 17.561 19.000 -0.285 0.000 0.819 247 A HN 0.921 nan 8.150 nan 0.000 0.448 248 S N 0.016 115.526 115.700 -0.317 0.000 2.419 248 S HA -0.204 4.267 4.470 0.002 0.000 0.235 248 S C 1.361 175.888 174.600 -0.122 0.000 1.019 248 S CA 1.466 59.560 58.200 -0.177 0.000 0.982 248 S CB -0.532 62.657 63.200 -0.018 0.000 0.789 248 S HN 0.566 nan 8.310 nan 0.000 0.490 249 D N 1.569 121.892 120.400 -0.129 0.000 2.144 249 D HA -0.023 4.618 4.640 0.002 0.000 0.200 249 D C 2.156 178.415 176.300 -0.067 0.000 0.978 249 D CA 1.140 55.099 54.000 -0.068 0.000 0.833 249 D CB -0.391 40.369 40.800 -0.068 0.000 0.961 249 D HN 0.384 nan 8.370 nan 0.000 0.470 250 V N 0.995 120.823 119.914 -0.144 0.000 2.343 250 V HA -0.242 3.879 4.120 0.002 0.000 0.247 250 V C 2.076 178.174 176.094 0.007 0.000 1.051 250 V CA 1.647 63.891 62.300 -0.094 0.000 1.036 250 V CB -0.844 30.891 31.823 -0.147 0.000 0.654 250 V HN 0.314 nan 8.190 nan 0.000 0.451 251 H N -0.139 118.925 119.070 -0.010 0.000 2.352 251 H HA -0.226 4.331 4.556 0.002 0.000 0.299 251 H C 2.435 177.764 175.328 0.002 0.000 1.097 251 H CA 1.549 57.595 56.048 -0.005 0.000 1.311 251 H CB 0.121 29.880 29.762 -0.005 0.000 1.377 251 H HN 0.472 nan 8.280 nan 0.000 0.504 252 E N 1.084 121.358 120.200 0.122 0.000 2.038 252 E HA -0.154 4.197 4.350 0.002 0.000 0.195 252 E C 2.270 178.903 176.600 0.055 0.000 1.000 252 E CA 1.479 57.923 56.400 0.073 0.000 0.803 252 E CB -0.369 29.362 29.700 0.050 0.000 0.750 252 E HN 0.188 nan 8.360 nan 0.000 0.448 253 V N 0.666 120.607 119.914 0.044 0.000 2.332 253 V HA -0.287 3.834 4.120 0.002 0.000 0.248 253 V C 2.599 178.713 176.094 0.034 0.000 1.055 253 V CA 2.222 64.541 62.300 0.032 0.000 1.038 253 V CB -0.668 31.169 31.823 0.024 0.000 0.651 253 V HN 0.245 nan 8.190 nan 0.000 0.450 254 R N 0.817 121.348 120.500 0.051 0.000 2.073 254 R HA -0.189 4.152 4.340 0.002 0.000 0.234 254 R C 2.362 178.683 176.300 0.035 0.000 1.134 254 R CA 2.133 58.261 56.100 0.047 0.000 0.952 254 R CB -0.556 29.788 30.300 0.074 0.000 0.850 254 R HN 0.541 nan 8.270 nan 0.000 0.433 255 K N -0.279 120.146 120.400 0.042 0.000 2.063 255 K HA -0.124 4.197 4.320 0.002 0.000 0.208 255 K C 1.731 178.346 176.600 0.024 0.000 1.048 255 K CA 1.832 58.137 56.287 0.029 0.000 0.928 255 K CB -0.076 32.445 32.500 0.035 0.000 0.713 255 K HN 0.135 nan 8.250 nan 0.000 0.442 256 V N 1.800 121.730 119.914 0.027 0.000 2.358 256 V HA -0.229 3.892 4.120 0.002 0.000 0.246 256 V C 2.322 178.425 176.094 0.015 0.000 1.047 256 V CA 1.501 63.815 62.300 0.023 0.000 1.035 256 V CB -0.353 31.485 31.823 0.025 0.000 0.658 256 V HN 0.322 nan 8.190 nan 0.000 0.452 257 L N -0.117 121.112 121.223 0.010 0.000 2.191 257 L HA 0.117 4.458 4.340 0.002 0.000 0.212 257 L C 1.574 178.445 176.870 0.002 0.000 1.103 257 L CA 0.952 55.791 54.840 -0.001 0.000 0.769 257 L CB -1.094 40.962 42.059 -0.005 0.000 0.908 257 L HN 0.579 nan 8.230 nan 0.000 0.438 258 G N -0.148 108.657 108.800 0.008 0.000 2.692 258 G HA2 -0.319 3.642 3.960 0.002 0.000 0.248 258 G HA3 -0.319 3.642 3.960 0.002 0.000 0.248 258 G C 0.616 175.518 174.900 0.004 0.000 1.340 258 G CA 0.192 45.296 45.100 0.007 0.000 0.896 258 G HN 0.162 nan 8.290 nan 0.000 0.570 259 E N 0.207 120.409 120.200 0.003 0.000 2.077 259 E HA -0.097 4.254 4.350 0.002 0.000 0.193 259 E C 2.583 179.183 176.600 0.000 0.000 0.989 259 E CA 1.578 57.979 56.400 0.002 0.000 0.800 259 E CB -0.206 29.495 29.700 0.002 0.000 0.746 259 E HN 0.597 nan 8.360 nan 0.000 0.452 260 K N -0.792 119.607 120.400 -0.002 0.000 2.365 260 K HA -0.001 4.320 4.320 0.002 0.000 0.199 260 K C 1.516 178.109 176.600 -0.011 0.000 1.045 260 K CA 0.897 57.180 56.287 -0.006 0.000 0.962 260 K CB 0.256 32.751 32.500 -0.009 0.000 0.759 260 K HN 0.010 nan 8.250 nan 0.000 0.469 261 G N 1.992 110.786 108.800 -0.010 0.000 3.774 261 G HA2 -0.027 3.934 3.960 0.002 0.000 0.287 261 G HA3 -0.027 3.934 3.960 0.002 0.000 0.287 261 G C 1.001 175.899 174.900 -0.004 0.000 1.030 261 G CA -0.372 44.720 45.100 -0.014 0.000 0.824 261 G HN 0.227 nan 8.290 nan 0.000 0.518 262 K N -0.085 120.316 120.400 0.002 0.000 2.209 262 K HA -0.034 4.287 4.320 0.002 0.000 0.204 262 K C 1.338 177.948 176.600 0.017 0.000 1.048 262 K CA 1.374 57.667 56.287 0.010 0.000 0.940 262 K CB -0.219 32.286 32.500 0.009 0.000 0.729 262 K HN 0.251 nan 8.250 nan 0.000 0.451 263 N N 0.262 118.971 118.700 0.015 0.000 2.412 263 N HA 0.087 4.828 4.740 0.002 0.000 0.184 263 N C -0.649 174.877 175.510 0.027 0.000 1.101 263 N CA -0.271 52.794 53.050 0.025 0.000 0.881 263 N CB 0.132 38.633 38.487 0.023 0.000 0.969 263 N HN 0.050 nan 8.380 nan 0.000 0.459 264 I N 1.922 122.500 120.570 0.013 0.000 2.533 264 I HA -0.034 4.137 4.170 0.002 0.000 0.284 264 I C 0.377 176.507 176.117 0.021 0.000 1.109 264 I CA -0.311 60.992 61.300 0.005 0.000 1.412 264 I CB 0.356 38.343 38.000 -0.021 0.000 1.396 264 I HN -0.123 nan 8.210 nan 0.000 0.543 265 K N 7.149 127.570 120.400 0.034 0.000 2.368 265 K HA 0.355 4.676 4.320 0.002 0.000 0.282 265 K C -0.315 176.315 176.600 0.050 0.000 1.035 265 K CA -0.026 56.292 56.287 0.052 0.000 0.973 265 K CB 0.573 33.117 32.500 0.073 0.000 0.957 265 K HN 0.475 nan 8.250 nan 0.000 0.474 266 I N 4.930 125.529 120.570 0.049 0.000 2.328 266 I HA 0.187 4.358 4.170 0.002 0.000 0.287 266 I C -0.056 176.098 176.117 0.062 0.000 1.012 266 I CA -0.630 60.702 61.300 0.054 0.000 1.195 266 I CB 0.839 38.860 38.000 0.035 0.000 1.350 266 I HN 0.184 nan 8.210 nan 0.000 0.464 267 I N 5.183 125.826 120.570 0.122 0.000 2.312 267 I HA 0.251 4.422 4.170 0.002 0.000 0.290 267 I C 0.312 176.465 176.117 0.060 0.000 1.008 267 I CA -0.212 61.141 61.300 0.088 0.000 1.226 267 I CB 1.214 39.305 38.000 0.152 0.000 1.371 267 I HN 0.439 nan 8.210 nan 0.000 0.468 268 S N 6.519 122.218 115.700 -0.001 0.000 2.489 268 S HA 0.306 4.777 4.470 0.002 0.000 0.277 268 S C 0.188 174.782 174.600 -0.010 0.000 1.230 268 S CA -0.673 57.523 58.200 -0.006 0.000 1.053 268 S CB 0.701 63.874 63.200 -0.045 0.000 0.955 268 S HN 0.366 nan 8.310 nan 0.000 0.488 269 K N 2.660 123.066 120.400 0.010 0.000 2.262 269 K HA 0.296 4.617 4.320 0.002 0.000 0.282 269 K C -0.913 175.697 176.600 0.016 0.000 1.066 269 K CA -0.470 55.820 56.287 0.004 0.000 0.901 269 K CB 0.418 32.938 32.500 0.033 0.000 1.089 269 K HN 0.359 nan 8.250 nan 0.000 0.476 270 I N 3.375 123.954 120.570 0.016 0.000 2.363 270 I HA 0.013 4.184 4.170 0.002 0.000 0.292 270 I C 0.766 176.884 176.117 0.003 0.000 1.075 270 I CA 0.486 61.794 61.300 0.013 0.000 1.333 270 I CB 0.610 38.640 38.000 0.050 0.000 1.415 270 I HN 0.651 nan 8.210 nan 0.000 0.502 271 E N 4.217 124.423 120.200 0.010 0.000 2.601 271 E HA 0.145 4.496 4.350 0.002 0.000 0.219 271 E C -0.157 176.481 176.600 0.063 0.000 0.964 271 E CA -0.130 56.308 56.400 0.063 0.000 1.050 271 E CB 0.452 30.261 29.700 0.182 0.000 1.068 271 E HN 0.744 nan 8.360 nan 0.000 0.496 272 N N -0.949 117.743 118.700 -0.014 0.000 2.934 272 N HA -0.019 4.722 4.740 0.002 0.000 0.253 272 N C 0.384 175.887 175.510 -0.011 0.000 1.466 272 N CA -0.549 52.507 53.050 0.009 0.000 0.858 272 N CB 0.599 39.089 38.487 0.005 0.000 1.459 272 N HN -0.205 nan 8.380 nan 0.000 0.532 273 H N 0.037 119.082 119.070 -0.041 0.000 2.352 273 H HA -0.106 4.451 4.556 0.002 0.000 0.299 273 H C 1.152 176.447 175.328 -0.055 0.000 1.097 273 H CA 2.489 58.512 56.048 -0.041 0.000 1.311 273 H CB 0.252 30.004 29.762 -0.018 0.000 1.377 273 H HN 0.817 nan 8.280 nan 0.000 0.504 274 E N -0.264 119.982 120.200 0.077 0.000 2.110 274 E HA -0.105 4.246 4.350 0.002 0.000 0.193 274 E C 2.452 179.000 176.600 -0.088 0.000 0.988 274 E CA 0.949 57.354 56.400 0.008 0.000 0.804 274 E CB -0.371 29.309 29.700 -0.035 0.000 0.745 274 E HN 0.567 nan 8.360 nan 0.000 0.458 275 G N 0.412 109.137 108.800 -0.126 0.000 2.442 275 G HA2 -0.241 3.720 3.960 0.002 0.000 0.219 275 G HA3 -0.241 3.720 3.960 0.002 0.000 0.219 275 G C 1.616 176.498 174.900 -0.030 0.000 1.141 275 G CA 1.016 46.058 45.100 -0.096 0.000 0.763 275 G HN 0.248 nan 8.290 nan 0.000 0.554 276 V N 0.297 120.146 119.914 -0.107 0.000 2.453 276 V HA -0.048 4.073 4.120 0.002 0.000 0.247 276 V C 2.722 178.744 176.094 -0.121 0.000 1.048 276 V CA 1.764 63.984 62.300 -0.134 0.000 1.049 276 V CB -0.391 31.272 31.823 -0.265 0.000 0.672 276 V HN 0.355 nan 8.190 nan 0.000 0.457 277 R N 0.508 120.888 120.500 -0.200 0.000 2.096 277 R HA -0.070 4.271 4.340 0.002 0.000 0.235 277 R C 1.742 178.023 176.300 -0.031 0.000 1.127 277 R CA 1.266 57.290 56.100 -0.127 0.000 0.968 277 R CB 0.036 30.279 30.300 -0.095 0.000 0.861 277 R HN 0.426 nan 8.270 nan 0.000 0.440 278 R N -0.580 119.908 120.500 -0.020 0.000 2.609 278 R HA 0.062 4.403 4.340 0.002 0.000 0.326 278 R C 0.907 177.201 176.300 -0.009 0.000 1.090 278 R CA -0.357 55.732 56.100 -0.018 0.000 1.072 278 R CB 0.038 30.310 30.300 -0.046 0.000 1.330 278 R HN 0.141 nan 8.270 nan 0.000 0.572 279 F N 2.283 122.172 119.950 -0.101 0.000 2.120 279 F HA -0.274 4.254 4.527 0.002 0.000 0.300 279 F C 1.510 177.265 175.800 -0.075 0.000 1.095 279 F CA 1.849 59.793 58.000 -0.094 0.000 1.249 279 F CB 0.166 39.106 39.000 -0.100 0.000 0.995 279 F HN 0.041 nan 8.300 nan 0.000 0.480 280 D N 0.298 120.649 120.400 -0.081 0.000 2.104 280 D HA -0.241 4.400 4.640 0.002 0.000 0.194 280 D C 2.170 178.348 176.300 -0.202 0.000 0.994 280 D CA 1.874 55.786 54.000 -0.146 0.000 0.830 280 D CB -0.651 40.138 40.800 -0.019 0.000 0.959 280 D HN 0.683 nan 8.370 nan 0.000 0.452 281 E N 0.610 120.723 120.200 -0.146 0.000 2.150 281 E HA -0.116 4.235 4.350 0.002 0.000 0.193 281 E C 2.244 178.730 176.600 -0.190 0.000 0.985 281 E CA 0.634 56.956 56.400 -0.131 0.000 0.814 281 E CB -0.385 29.260 29.700 -0.091 0.000 0.752 281 E HN 0.271 nan 8.360 nan 0.000 0.466 282 I N 0.624 121.038 120.570 -0.259 0.000 2.286 282 I HA -0.191 3.980 4.170 0.002 0.000 0.245 282 I C 2.472 178.383 176.117 -0.344 0.000 1.104 282 I CA 0.537 61.666 61.300 -0.286 0.000 1.397 282 I CB -0.159 37.675 38.000 -0.275 0.000 1.072 282 I HN 0.176 nan 8.210 nan 0.000 0.417 283 L N 1.059 121.956 121.223 -0.544 0.000 2.046 283 L HA -0.216 4.125 4.340 0.002 0.000 0.208 283 L C 2.321 179.043 176.870 -0.246 0.000 1.077 283 L CA 1.927 56.470 54.840 -0.494 0.000 0.747 283 L CB -0.600 41.046 42.059 -0.688 0.000 0.896 283 L HN 0.119 nan 8.230 nan 0.000 0.432 284 E N -0.206 119.874 120.200 -0.200 0.000 2.058 284 E HA -0.190 4.161 4.350 0.002 0.000 0.194 284 E C 2.093 178.656 176.600 -0.061 0.000 0.997 284 E CA 1.655 57.994 56.400 -0.100 0.000 0.801 284 E CB -0.352 29.304 29.700 -0.073 0.000 0.746 284 E HN 0.604 nan 8.360 nan 0.000 0.450 285 A N -0.365 122.409 122.820 -0.076 0.000 2.067 285 A HA 0.090 4.411 4.320 0.002 0.000 0.217 285 A C 1.313 178.882 177.584 -0.025 0.000 1.156 285 A CA 0.519 52.544 52.037 -0.021 0.000 0.683 285 A CB 0.041 18.989 19.000 -0.086 0.000 0.808 285 A HN 0.178 nan 8.150 nan 0.000 0.455 286 S N -0.043 115.613 115.700 -0.074 0.000 2.681 286 S HA 0.302 4.773 4.470 0.002 0.000 0.270 286 S C 0.108 174.689 174.600 -0.031 0.000 1.209 286 S CA -0.446 57.721 58.200 -0.055 0.000 0.988 286 S CB 0.836 63.980 63.200 -0.093 0.000 1.006 286 S HN 0.396 nan 8.310 nan 0.000 0.558 287 D N 0.029 120.421 120.400 -0.014 0.000 2.355 287 D HA 0.271 4.912 4.640 0.002 0.000 0.206 287 D C 0.781 177.053 176.300 -0.046 0.000 1.010 287 D CA 0.505 54.505 54.000 0.000 0.000 0.875 287 D CB 0.471 41.289 40.800 0.031 0.000 0.966 287 D HN 0.604 nan 8.370 nan 0.000 0.512 288 G N -0.146 108.619 108.800 -0.059 0.000 2.600 288 G HA2 0.527 4.488 3.960 0.002 0.000 0.293 288 G HA3 0.527 4.488 3.960 0.002 0.000 0.293 288 G C -1.725 173.130 174.900 -0.074 0.000 1.408 288 G CA -0.457 44.587 45.100 -0.094 0.000 0.782 288 G HN -0.099 nan 8.290 nan 0.000 0.482 289 I N 0.363 120.889 120.570 -0.073 0.000 2.769 289 I HA 0.556 4.728 4.170 0.002 0.000 0.298 289 I C -0.604 175.461 176.117 -0.086 0.000 1.128 289 I CA -0.740 60.540 61.300 -0.034 0.000 1.031 289 I CB 2.095 40.151 38.000 0.093 0.000 1.235 289 I HN 0.577 nan 8.210 nan 0.000 0.423 290 M N 5.243 124.787 119.600 -0.095 0.000 2.197 290 M HA 0.455 4.936 4.480 0.002 0.000 0.301 290 M C -1.618 174.631 176.300 -0.085 0.000 0.987 290 M CA -0.720 54.485 55.300 -0.159 0.000 0.921 290 M CB 1.859 34.281 32.600 -0.297 0.000 1.569 290 M HN 0.250 nan 8.290 nan 0.000 0.431 291 V N 4.715 124.580 119.914 -0.082 0.000 2.372 291 V HA 0.324 4.445 4.120 0.002 0.000 0.261 291 V C 0.523 176.582 176.094 -0.057 0.000 1.055 291 V CA -0.348 61.913 62.300 -0.065 0.000 0.930 291 V CB 0.619 32.397 31.823 -0.075 0.000 1.031 291 V HN 0.873 nan 8.190 nan 0.000 0.479 292 A N 5.446 128.243 122.820 -0.039 0.000 3.015 292 A HA 0.399 4.720 4.320 0.002 0.000 0.293 292 A C 1.397 178.972 177.584 -0.015 0.000 1.572 292 A CA -0.487 51.538 52.037 -0.021 0.000 1.274 292 A CB -0.299 18.703 19.000 0.003 0.000 1.156 292 A HN 0.865 nan 8.150 nan 0.000 0.562 293 R N 1.185 121.674 120.500 -0.019 0.000 2.139 293 R HA -0.162 4.179 4.340 0.002 0.000 0.243 293 R C 2.264 178.558 176.300 -0.009 0.000 1.145 293 R CA 1.929 58.020 56.100 -0.015 0.000 0.976 293 R CB -0.284 30.012 30.300 -0.007 0.000 0.866 293 R HN 0.685 nan 8.270 nan 0.000 0.449 294 G N 0.842 109.640 108.800 -0.003 0.000 2.480 294 G HA2 -0.270 3.691 3.960 0.002 0.000 0.216 294 G HA3 -0.270 3.691 3.960 0.002 0.000 0.216 294 G C 0.938 175.831 174.900 -0.012 0.000 1.200 294 G CA 1.164 46.262 45.100 -0.003 0.000 0.782 294 G HN 0.260 nan 8.290 nan 0.000 0.554 295 D N 0.370 120.771 120.400 0.001 0.000 2.149 295 D HA -0.022 4.619 4.640 0.002 0.000 0.201 295 D C 2.660 178.958 176.300 -0.004 0.000 0.972 295 D CA 0.349 54.353 54.000 0.007 0.000 0.835 295 D CB -0.054 40.775 40.800 0.048 0.000 0.966 295 D HN 0.253 nan 8.370 nan 0.000 0.476 296 L N 1.016 122.236 121.223 -0.005 0.000 2.083 296 L HA -0.101 4.240 4.340 0.002 0.000 0.209 296 L C 2.586 179.435 176.870 -0.036 0.000 1.083 296 L CA 1.217 56.047 54.840 -0.017 0.000 0.752 296 L CB -0.566 41.475 42.059 -0.031 0.000 0.899 296 L HN 0.080 nan 8.230 nan 0.000 0.433 297 G N -0.170 108.604 108.800 -0.043 0.000 2.470 297 G HA2 -0.195 3.767 3.960 0.002 0.000 0.220 297 G HA3 -0.195 3.767 3.960 0.002 0.000 0.220 297 G C 1.452 176.278 174.900 -0.122 0.000 1.121 297 G CA 0.391 45.458 45.100 -0.056 0.000 0.766 297 G HN 0.190 nan 8.290 nan 0.000 0.553 298 I N 0.526 120.998 120.570 -0.162 0.000 2.429 298 I HA 0.044 4.216 4.170 0.002 0.000 0.247 298 I C 2.443 178.370 176.117 -0.318 0.000 1.099 298 I CA 0.535 61.626 61.300 -0.349 0.000 1.422 298 I CB -1.020 36.811 38.000 -0.281 0.000 1.112 298 I HN 0.119 nan 8.210 nan 0.000 0.430 299 E N 1.537 121.674 120.200 -0.105 0.000 2.110 299 E HA -0.075 4.276 4.350 0.002 0.000 0.193 299 E C 0.990 177.620 176.600 0.049 0.000 0.988 299 E CA 0.853 57.260 56.400 0.012 0.000 0.804 299 E CB -0.027 29.713 29.700 0.067 0.000 0.745 299 E HN 0.605 nan 8.360 nan 0.000 0.458 300 I N -3.192 117.390 120.570 0.020 0.000 3.108 300 I HA 0.461 4.632 4.170 0.002 0.000 0.312 300 I C -2.701 173.432 176.117 0.027 0.000 1.095 300 I CA -3.138 58.196 61.300 0.056 0.000 1.000 300 I CB 2.010 40.047 38.000 0.062 0.000 1.229 300 I HN -0.381 nan 8.210 nan 0.000 0.454 301 P HA 0.052 nan 4.420 nan 0.000 0.260 301 P C 0.524 177.841 177.300 0.029 0.000 1.185 301 P CA 0.258 63.385 63.100 0.045 0.000 0.763 301 P CB 1.008 32.738 31.700 0.050 0.000 0.776 302 A N 5.332 128.166 122.820 0.023 0.000 2.009 302 A HA -0.254 4.067 4.320 0.002 0.000 0.222 302 A C 1.836 179.461 177.584 0.067 0.000 1.175 302 A CA 1.856 53.908 52.037 0.026 0.000 0.651 302 A CB -0.841 18.170 19.000 0.019 0.000 0.815 302 A HN 0.661 nan 8.150 nan 0.000 0.459 303 E N 0.078 120.328 120.200 0.084 0.000 2.478 303 E HA -0.136 4.215 4.350 0.002 0.000 0.198 303 E C 1.138 177.854 176.600 0.193 0.000 1.046 303 E CA 1.222 57.711 56.400 0.150 0.000 0.870 303 E CB -0.204 29.569 29.700 0.121 0.000 0.818 303 E HN 0.685 nan 8.360 nan 0.000 0.527 304 K N 0.516 120.948 120.400 0.053 0.000 2.358 304 K HA 0.154 4.475 4.320 0.002 0.000 0.197 304 K C 1.822 178.306 176.600 -0.193 0.000 1.025 304 K CA 0.124 56.347 56.287 -0.107 0.000 1.104 304 K CB 0.786 33.234 32.500 -0.086 0.000 0.855 304 K HN -0.078 nan 8.250 nan 0.000 0.531 305 V N 1.815 121.697 119.914 -0.052 0.000 2.407 305 V HA -0.268 3.853 4.120 0.002 0.000 0.248 305 V C 2.055 178.104 176.094 -0.075 0.000 1.055 305 V CA 1.873 64.138 62.300 -0.058 0.000 1.049 305 V CB -0.682 31.145 31.823 0.007 0.000 0.662 305 V HN 0.363 nan 8.190 nan 0.000 0.455 306 F N 0.048 119.971 119.950 -0.045 0.000 2.216 306 F HA -0.103 4.425 4.527 0.002 0.000 0.300 306 F C 1.944 177.708 175.800 -0.060 0.000 1.085 306 F CA 1.443 59.415 58.000 -0.046 0.000 1.326 306 F CB -0.933 38.047 39.000 -0.034 0.000 1.027 306 F HN 0.064 nan 8.300 nan 0.000 0.497 307 L N 0.778 121.297 121.223 -1.173 0.000 2.027 307 L HA -0.095 4.246 4.340 0.002 0.000 0.206 307 L C 3.042 179.658 176.870 -0.423 0.000 1.074 307 L CA 1.176 55.492 54.840 -0.872 0.000 0.745 307 L CB -1.168 40.375 42.059 -0.861 0.000 0.898 307 L HN 0.353 nan 8.230 nan 0.000 0.433 308 A N -0.449 122.160 122.820 -0.353 0.000 1.877 308 A HA -0.293 4.028 4.320 0.002 0.000 0.216 308 A C 2.261 179.686 177.584 -0.265 0.000 1.186 308 A CA 1.938 53.803 52.037 -0.286 0.000 0.620 308 A CB -0.649 18.211 19.000 -0.234 0.000 0.822 308 A HN 0.506 nan 8.150 nan 0.000 0.443 309 Q N -0.191 119.494 119.800 -0.192 0.000 2.061 309 Q HA -0.237 4.104 4.340 0.002 0.000 0.204 309 Q C 1.985 177.903 176.000 -0.138 0.000 0.984 309 Q CA 2.073 57.792 55.803 -0.140 0.000 0.846 309 Q CB -0.167 28.535 28.738 -0.059 0.000 0.902 309 Q HN 0.671 nan 8.270 nan 0.000 0.421 310 K N -0.094 120.237 120.400 -0.114 0.000 2.097 310 K HA -0.133 4.188 4.320 0.002 0.000 0.206 310 K C 2.177 178.699 176.600 -0.129 0.000 1.049 310 K CA 1.308 57.545 56.287 -0.083 0.000 0.933 310 K CB -0.178 32.303 32.500 -0.032 0.000 0.717 310 K HN 0.328 nan 8.250 nan 0.000 0.442 311 M N 0.748 120.230 119.600 -0.197 0.000 2.099 311 M HA -0.137 4.344 4.480 0.002 0.000 0.262 311 M C 1.880 178.002 176.300 -0.296 0.000 1.067 311 M CA 1.811 56.975 55.300 -0.226 0.000 1.124 311 M CB -0.257 32.182 32.600 -0.269 0.000 1.353 311 M HN 0.170 nan 8.290 nan 0.000 0.410 312 M N -0.085 119.246 119.600 -0.449 0.000 2.175 312 M HA -0.187 4.294 4.480 0.002 0.000 0.264 312 M C 2.068 178.249 176.300 -0.199 0.000 1.063 312 M CA 1.087 56.010 55.300 -0.628 0.000 1.119 312 M CB -0.466 31.669 32.600 -0.776 0.000 1.377 312 M HN 0.226 nan 8.290 nan 0.000 0.415 313 I N 0.371 120.861 120.570 -0.135 0.000 2.179 313 I HA -0.170 4.001 4.170 0.002 0.000 0.242 313 I C 2.628 178.732 176.117 -0.022 0.000 1.088 313 I CA 1.794 63.063 61.300 -0.050 0.000 1.357 313 I CB -1.779 36.196 38.000 -0.041 0.000 1.051 313 I HN 0.315 nan 8.210 nan 0.000 0.409 314 G N 0.831 109.606 108.800 -0.040 0.000 2.446 314 G HA2 -0.249 3.713 3.960 0.002 0.000 0.217 314 G HA3 -0.249 3.713 3.960 0.002 0.000 0.217 314 G C 1.872 176.779 174.900 0.013 0.000 1.168 314 G CA 0.383 45.474 45.100 -0.016 0.000 0.771 314 G HN 0.330 nan 8.290 nan 0.000 0.551 315 R N -0.667 119.849 120.500 0.027 0.000 2.115 315 R HA -0.025 4.317 4.340 0.002 0.000 0.230 315 R C 2.660 179.037 176.300 0.128 0.000 1.111 315 R CA 1.133 57.298 56.100 0.108 0.000 0.976 315 R CB -0.592 29.851 30.300 0.239 0.000 0.870 315 R HN 0.391 nan 8.270 nan 0.000 0.445 316 C N 0.905 120.286 119.300 0.136 0.000 2.446 316 C HA -0.016 4.445 4.460 0.002 0.000 0.277 316 C C 2.234 177.247 174.990 0.038 0.000 1.275 316 C CA 0.457 59.530 59.018 0.091 0.000 1.727 316 C CB -0.957 26.832 27.740 0.082 0.000 2.010 316 C HN 0.500 nan 8.230 nan 0.000 0.486 317 N N 0.750 119.469 118.700 0.032 0.000 2.120 317 N HA -0.127 4.614 4.740 0.002 0.000 0.188 317 N C 1.848 177.370 175.510 0.020 0.000 1.024 317 N CA 1.018 54.084 53.050 0.026 0.000 0.852 317 N CB -0.581 37.926 38.487 0.033 0.000 1.003 317 N HN 0.567 nan 8.380 nan 0.000 0.424 318 R N 0.643 121.160 120.500 0.028 0.000 2.096 318 R HA 0.026 4.367 4.340 0.002 0.000 0.235 318 R C 1.691 178.000 176.300 0.015 0.000 1.127 318 R CA 1.388 57.502 56.100 0.024 0.000 0.968 318 R CB -0.132 30.187 30.300 0.031 0.000 0.861 318 R HN 0.186 nan 8.270 nan 0.000 0.440 319 A N -0.408 122.425 122.820 0.021 0.000 2.123 319 A HA 0.185 4.506 4.320 0.002 0.000 0.214 319 A C 1.414 179.002 177.584 0.007 0.000 1.152 319 A CA 0.806 52.851 52.037 0.013 0.000 0.728 319 A CB -0.200 18.806 19.000 0.010 0.000 0.814 319 A HN 0.591 nan 8.150 nan 0.000 0.464 320 G N -0.737 108.065 108.800 0.003 0.000 2.147 320 G HA2 -0.240 3.721 3.960 0.002 0.000 0.244 320 G HA3 -0.240 3.721 3.960 0.002 0.000 0.244 320 G C 0.026 174.965 174.900 0.065 0.000 1.005 320 G CA 0.561 45.671 45.100 0.016 0.000 0.713 320 G HN 0.559 nan 8.290 nan 0.000 0.515 321 K N 0.447 120.852 120.400 0.009 0.000 2.207 321 K HA 0.473 4.794 4.320 0.002 0.000 0.255 321 K C -2.562 173.943 176.600 -0.158 0.000 0.941 321 K CA -2.222 54.034 56.287 -0.051 0.000 0.825 321 K CB 1.962 34.435 32.500 -0.044 0.000 1.119 321 K HN -0.063 nan 8.250 nan 0.000 0.430 322 P HA -0.077 nan 4.420 nan 0.000 0.264 322 P C -1.034 176.149 177.300 -0.196 0.000 1.183 322 P CA -0.126 62.735 63.100 -0.398 0.000 0.763 322 P CB 0.561 31.899 31.700 -0.603 0.000 0.807 323 V N 5.408 125.237 119.914 -0.142 0.000 2.577 323 V HA 0.494 4.615 4.120 0.002 0.000 0.303 323 V C -0.909 175.123 176.094 -0.102 0.000 1.042 323 V CA -0.759 61.487 62.300 -0.089 0.000 0.872 323 V CB 1.432 33.233 31.823 -0.038 0.000 0.998 323 V HN 0.219 nan 8.190 nan 0.000 0.423 324 I N 6.374 126.867 120.570 -0.128 0.000 2.404 324 I HA 0.554 4.725 4.170 0.002 0.000 0.293 324 I C -0.138 175.907 176.117 -0.120 0.000 0.992 324 I CA 0.005 61.218 61.300 -0.145 0.000 1.149 324 I CB 1.572 39.415 38.000 -0.262 0.000 1.315 324 I HN 0.504 nan 8.210 nan 0.000 0.446 325 C N 4.987 124.238 119.300 -0.082 0.000 2.382 325 C HA 0.971 5.432 4.460 0.002 0.000 0.327 325 C C 0.735 175.696 174.990 -0.049 0.000 1.250 325 C CA 0.048 59.031 59.018 -0.059 0.000 1.707 325 C CB 0.331 28.052 27.740 -0.032 0.000 2.272 325 C HN 1.013 nan 8.230 nan 0.000 0.506 326 A N 1.470 124.265 122.820 -0.041 0.000 3.865 326 A HA 0.832 5.153 4.320 0.002 0.000 0.150 326 A C 0.076 177.657 177.584 -0.005 0.000 0.996 326 A CA 0.416 52.441 52.037 -0.020 0.000 1.746 326 A CB -0.701 18.282 19.000 -0.029 0.000 2.443 326 A HN 1.776 nan 8.150 nan 0.000 1.021 327 T N -0.246 114.312 114.554 0.006 0.000 2.413 327 T HA -0.021 4.330 4.350 0.002 0.000 0.516 327 T C -0.327 174.383 174.700 0.018 0.000 0.823 327 T CA 1.038 63.147 62.100 0.015 0.000 2.731 327 T CB -1.840 67.031 68.868 0.006 0.000 1.694 327 T HN 2.039 nan 8.240 nan 0.000 0.469 328 Q N 0.231 120.047 119.800 0.027 0.000 2.449 328 Q HA -0.185 4.156 4.340 0.002 0.000 0.351 328 Q C 0.910 176.924 176.000 0.023 0.000 1.456 328 Q CA 1.265 57.084 55.803 0.027 0.000 0.951 328 Q CB -1.229 27.523 28.738 0.025 0.000 1.153 328 Q HN 0.842 nan 8.270 nan 0.000 0.341 329 M N -0.608 119.007 119.600 0.026 0.000 2.224 329 M HA 0.052 4.533 4.480 0.002 0.000 0.253 329 M C 1.177 177.491 176.300 0.024 0.000 1.115 329 M CA 0.983 56.296 55.300 0.023 0.000 1.168 329 M CB -0.172 32.442 32.600 0.024 0.000 1.288 329 M HN 0.330 nan 8.290 nan 0.000 0.446 330 L N 0.917 122.159 121.223 0.031 0.000 3.141 330 L HA 0.218 4.559 4.340 0.002 0.000 0.263 330 L C 1.619 178.513 176.870 0.039 0.000 1.312 330 L CA 0.135 54.994 54.840 0.032 0.000 1.012 330 L CB -0.527 41.553 42.059 0.035 0.000 1.408 330 L HN 0.338 nan 8.230 nan 0.000 0.559 331 E N 0.425 120.647 120.200 0.037 0.000 2.055 331 E HA -0.359 3.992 4.350 0.002 0.000 0.209 331 E C 2.018 178.646 176.600 0.047 0.000 1.036 331 E CA 2.384 58.809 56.400 0.042 0.000 0.849 331 E CB 0.192 29.913 29.700 0.035 0.000 0.767 331 E HN 0.586 nan 8.360 nan 0.000 0.461 332 S N 0.563 116.286 115.700 0.038 0.000 2.421 332 S HA -0.234 4.237 4.470 0.002 0.000 0.239 332 S C 1.686 176.321 174.600 0.058 0.000 1.054 332 S CA 1.722 59.945 58.200 0.039 0.000 1.035 332 S CB -0.688 62.527 63.200 0.024 0.000 0.840 332 S HN 0.365 nan 8.310 nan 0.000 0.475 333 M N 1.295 120.933 119.600 0.063 0.000 3.543 333 M HA 0.133 4.614 4.480 0.002 0.000 0.181 333 M C 0.343 176.749 176.300 0.176 0.000 1.448 333 M CA 0.049 55.409 55.300 0.100 0.000 1.587 333 M CB -0.485 32.162 32.600 0.078 0.000 1.380 333 M HN 0.343 nan 8.290 nan 0.000 0.447 334 I N 0.391 121.054 120.570 0.154 0.000 2.731 334 I HA -0.097 4.074 4.170 0.002 0.000 0.260 334 I C 1.707 177.933 176.117 0.182 0.000 1.138 334 I CA 1.463 62.842 61.300 0.132 0.000 1.461 334 I CB -0.295 37.751 38.000 0.076 0.000 1.128 334 I HN 0.463 nan 8.210 nan 0.000 0.438 335 K N 0.192 120.745 120.400 0.254 0.000 2.609 335 K HA 0.299 4.620 4.320 0.002 0.000 0.195 335 K C -0.293 176.569 176.600 0.437 0.000 1.144 335 K CA -0.361 56.145 56.287 0.366 0.000 1.084 335 K CB 0.623 33.221 32.500 0.162 0.000 0.877 335 K HN -0.194 nan 8.250 nan 0.000 0.540 336 K N 1.742 122.271 120.400 0.214 0.000 2.259 336 K HA 0.331 4.652 4.320 0.002 0.000 0.252 336 K C -2.025 174.278 176.600 -0.495 0.000 0.936 336 K CA -2.476 53.755 56.287 -0.093 0.000 0.810 336 K CB 1.731 34.210 32.500 -0.034 0.000 1.143 336 K HN -0.210 nan 8.250 nan 0.000 0.427 337 P HA -0.148 nan 4.420 nan 0.000 0.217 337 P C -0.623 176.500 177.300 -0.295 0.000 1.151 337 P CA 1.236 63.987 63.100 -0.582 0.000 0.828 337 P CB 0.409 31.900 31.700 -0.349 0.000 0.788 338 R N -0.114 120.278 120.500 -0.179 0.000 2.807 338 R HA 0.639 4.980 4.340 0.002 0.000 0.276 338 R C -2.764 173.499 176.300 -0.061 0.000 0.979 338 R CA -2.556 53.487 56.100 -0.096 0.000 0.928 338 R CB 0.415 30.673 30.300 -0.069 0.000 1.191 338 R HN -0.095 nan 8.270 nan 0.000 0.471 339 P HA -0.000 nan 4.420 nan 0.000 0.274 339 P C -0.077 177.216 177.300 -0.012 0.000 1.246 339 P CA -0.202 62.891 63.100 -0.013 0.000 0.795 339 P CB 0.811 32.510 31.700 -0.002 0.000 1.006 340 T N -0.421 114.130 114.554 -0.004 0.000 2.667 340 T HA 0.132 4.483 4.350 0.002 0.000 0.305 340 T C 1.477 176.174 174.700 -0.006 0.000 1.022 340 T CA -0.420 61.677 62.100 -0.005 0.000 0.995 340 T CB 0.350 69.218 68.868 0.000 0.000 1.026 340 T HN 0.229 nan 8.240 nan 0.000 0.527 341 R N 0.409 120.905 120.500 -0.007 0.000 2.119 341 R HA 0.176 4.517 4.340 0.002 0.000 0.222 341 R C 2.679 178.975 176.300 -0.007 0.000 1.088 341 R CA 1.279 57.374 56.100 -0.008 0.000 0.984 341 R CB -1.765 28.529 30.300 -0.010 0.000 0.884 341 R HN 0.819 nan 8.270 nan 0.000 0.447 342 A N 1.562 124.378 122.820 -0.006 0.000 1.930 342 A HA -0.144 4.177 4.320 0.002 0.000 0.217 342 A C 1.985 179.568 177.584 -0.002 0.000 1.175 342 A CA 1.256 53.289 52.037 -0.007 0.000 0.627 342 A CB -0.241 18.755 19.000 -0.006 0.000 0.815 342 A HN 0.347 nan 8.150 nan 0.000 0.443 343 E N -0.568 119.633 120.200 0.001 0.000 2.072 343 E HA -0.074 4.277 4.350 0.002 0.000 0.191 343 E C 2.154 178.757 176.600 0.005 0.000 0.985 343 E CA 0.688 57.092 56.400 0.006 0.000 0.801 343 E CB -0.393 29.313 29.700 0.010 0.000 0.750 343 E HN 0.583 nan 8.360 nan 0.000 0.452 344 G N 0.976 109.777 108.800 0.002 0.000 2.440 344 G HA2 -0.337 3.624 3.960 0.002 0.000 0.218 344 G HA3 -0.337 3.624 3.960 0.002 0.000 0.218 344 G C 1.660 176.560 174.900 0.001 0.000 1.154 344 G CA 1.094 46.195 45.100 0.001 0.000 0.767 344 G HN 0.305 nan 8.290 nan 0.000 0.552 345 S N 0.331 116.030 115.700 -0.002 0.000 2.368 345 S HA -0.151 4.320 4.470 0.002 0.000 0.224 345 S C 2.066 176.668 174.600 0.003 0.000 1.029 345 S CA 1.905 60.104 58.200 -0.002 0.000 0.988 345 S CB -0.424 62.771 63.200 -0.008 0.000 0.838 345 S HN 0.400 nan 8.310 nan 0.000 0.462 346 D N 0.317 120.719 120.400 0.004 0.000 2.097 346 D HA -0.083 4.558 4.640 0.002 0.000 0.195 346 D C 1.875 178.182 176.300 0.012 0.000 0.989 346 D CA 1.461 55.466 54.000 0.008 0.000 0.827 346 D CB -0.308 40.497 40.800 0.009 0.000 0.966 346 D HN 0.302 nan 8.370 nan 0.000 0.456 347 V N 0.534 120.454 119.914 0.011 0.000 2.358 347 V HA -0.161 3.960 4.120 0.002 0.000 0.246 347 V C 2.527 178.629 176.094 0.014 0.000 1.047 347 V CA 1.674 63.982 62.300 0.013 0.000 1.035 347 V CB -0.819 31.012 31.823 0.014 0.000 0.658 347 V HN 0.347 nan 8.190 nan 0.000 0.452 348 A N 0.401 123.228 122.820 0.012 0.000 1.877 348 A HA -0.280 4.041 4.320 0.002 0.000 0.216 348 A C 2.015 179.613 177.584 0.024 0.000 1.186 348 A CA 2.421 54.467 52.037 0.014 0.000 0.620 348 A CB -0.859 18.146 19.000 0.009 0.000 0.822 348 A HN 0.658 nan 8.150 nan 0.000 0.443 349 N N -0.075 118.639 118.700 0.025 0.000 2.244 349 N HA 0.007 4.748 4.740 0.002 0.000 0.183 349 N C 1.833 177.365 175.510 0.036 0.000 1.016 349 N CA 1.068 54.139 53.050 0.035 0.000 0.866 349 N CB -0.236 38.270 38.487 0.030 0.000 0.980 349 N HN 0.502 nan 8.380 nan 0.000 0.430 350 A N 0.464 123.300 122.820 0.026 0.000 1.877 350 A HA -0.109 4.212 4.320 0.002 0.000 0.216 350 A C 2.313 179.911 177.584 0.023 0.000 1.186 350 A CA 1.415 53.464 52.037 0.021 0.000 0.620 350 A CB -0.968 18.039 19.000 0.012 0.000 0.822 350 A HN 0.226 nan 8.150 nan 0.000 0.443 351 V N -0.115 119.814 119.914 0.026 0.000 2.427 351 V HA -0.143 3.978 4.120 0.002 0.000 0.248 351 V C 2.216 178.337 176.094 0.045 0.000 1.051 351 V CA 1.989 64.308 62.300 0.032 0.000 1.048 351 V CB -0.434 31.407 31.823 0.029 0.000 0.666 351 V HN 0.533 nan 8.190 nan 0.000 0.456 352 L N 0.046 121.298 121.223 0.049 0.000 2.201 352 L HA -0.105 4.236 4.340 0.002 0.000 0.212 352 L C 2.317 179.228 176.870 0.068 0.000 1.105 352 L CA 1.682 56.562 54.840 0.065 0.000 0.775 352 L CB -0.685 41.421 42.059 0.077 0.000 0.913 352 L HN 0.344 nan 8.230 nan 0.000 0.440 353 D N -0.014 120.418 120.400 0.053 0.000 2.269 353 D HA -0.044 4.597 4.640 0.002 0.000 0.208 353 D C 1.624 177.947 176.300 0.037 0.000 0.963 353 D CA 1.352 55.378 54.000 0.043 0.000 0.864 353 D CB 0.255 41.072 40.800 0.029 0.000 0.936 353 D HN 0.415 nan 8.370 nan 0.000 0.505 354 G N -0.321 108.503 108.800 0.041 0.000 2.151 354 G HA2 -0.059 3.902 3.960 0.002 0.000 0.140 354 G HA3 -0.059 3.902 3.960 0.002 0.000 0.140 354 G C 0.363 175.279 174.900 0.027 0.000 1.020 354 G CA 0.020 45.146 45.100 0.043 0.000 0.688 354 G HN 0.531 nan 8.290 nan 0.000 0.500 355 A N 0.248 123.078 122.820 0.016 0.000 2.498 355 A HA 0.520 4.841 4.320 0.002 0.000 0.239 355 A C 1.204 178.790 177.584 0.003 0.000 1.068 355 A CA 0.868 52.904 52.037 -0.002 0.000 0.766 355 A CB 0.298 19.292 19.000 -0.009 0.000 1.003 355 A HN 0.251 nan 8.150 nan 0.000 0.497 356 D N 0.379 120.767 120.400 -0.020 0.000 2.162 356 D HA 0.013 4.654 4.640 0.002 0.000 0.203 356 D C 0.081 176.380 176.300 -0.002 0.000 0.967 356 D CA 1.277 55.266 54.000 -0.017 0.000 0.840 356 D CB 0.159 40.909 40.800 -0.083 0.000 0.972 356 D HN 0.534 nan 8.370 nan 0.000 0.482 357 C N 0.421 119.709 119.300 -0.020 0.000 2.898 357 C HA 0.552 5.013 4.460 0.002 0.000 0.304 357 C C -0.778 174.204 174.990 -0.013 0.000 1.237 357 C CA -1.014 58.002 59.018 -0.004 0.000 1.529 357 C CB 1.619 29.357 27.740 -0.003 0.000 2.021 357 C HN 0.173 nan 8.230 nan 0.000 0.474 358 I N 0.359 120.931 120.570 0.004 0.000 2.474 358 I HA 0.752 4.923 4.170 0.002 0.000 0.294 358 I C -0.546 175.579 176.117 0.013 0.000 1.005 358 I CA -0.850 60.451 61.300 0.003 0.000 1.113 358 I CB 1.149 39.157 38.000 0.014 0.000 1.289 358 I HN 0.759 nan 8.210 nan 0.000 0.436 359 M N 6.425 126.029 119.600 0.007 0.000 2.436 359 M HA 0.629 5.110 4.480 0.002 0.000 0.331 359 M C -1.885 174.439 176.300 0.041 0.000 1.135 359 M CA -0.672 54.647 55.300 0.030 0.000 0.987 359 M CB 1.742 34.353 32.600 0.019 0.000 1.687 359 M HN 0.694 nan 8.290 nan 0.000 0.445 360 L N 3.936 125.193 121.223 0.058 0.000 2.296 360 L HA 0.556 4.897 4.340 0.002 0.000 0.286 360 L C -0.543 176.370 176.870 0.072 0.000 1.023 360 L CA -0.518 54.358 54.840 0.059 0.000 0.812 360 L CB 1.905 43.999 42.059 0.059 0.000 1.223 360 L HN 0.834 nan 8.230 nan 0.000 0.421 361 S N 0.778 116.519 115.700 0.069 0.000 2.521 361 S HA 0.796 5.267 4.470 0.002 0.000 0.295 361 S C 0.533 175.176 174.600 0.072 0.000 1.098 361 S CA -0.020 58.228 58.200 0.079 0.000 0.999 361 S CB 2.078 65.326 63.200 0.081 0.000 1.034 361 S HN 0.996 nan 8.310 nan 0.000 0.483 362 G N 3.128 111.974 108.800 0.076 0.000 3.548 362 G HA2 -0.408 3.553 3.960 0.002 0.000 0.224 362 G HA3 -0.408 3.553 3.960 0.002 0.000 0.224 362 G C 0.731 175.668 174.900 0.063 0.000 1.351 362 G CA 0.745 45.885 45.100 0.067 0.000 0.905 362 G HN 0.760 nan 8.290 nan 0.000 0.561 363 E N 0.470 120.709 120.200 0.065 0.000 2.171 363 E HA 0.024 4.375 4.350 0.002 0.000 0.197 363 E C 2.626 179.269 176.600 0.071 0.000 0.997 363 E CA 2.419 58.862 56.400 0.071 0.000 0.810 363 E CB -0.307 29.435 29.700 0.070 0.000 0.738 363 E HN 0.876 nan 8.360 nan 0.000 0.467 364 T N -3.456 111.138 114.554 0.066 0.000 2.978 364 T HA 0.419 4.770 4.350 0.002 0.000 0.248 364 T C 1.915 176.650 174.700 0.059 0.000 1.018 364 T CA 0.171 62.308 62.100 0.061 0.000 1.026 364 T CB 0.160 69.064 68.868 0.061 0.000 1.032 364 T HN 0.135 nan 8.240 nan 0.000 0.485 365 A N 2.220 125.081 122.820 0.068 0.000 1.897 365 A HA 0.204 4.525 4.320 0.002 0.000 0.215 365 A C 2.060 179.680 177.584 0.061 0.000 1.181 365 A CA 1.051 53.133 52.037 0.076 0.000 0.620 365 A CB -0.179 18.877 19.000 0.094 0.000 0.821 365 A HN 0.533 nan 8.150 nan 0.000 0.443 366 K N -1.929 118.500 120.400 0.049 0.000 3.784 366 K HA 0.460 4.781 4.320 0.002 0.000 0.226 366 K C 1.193 177.801 176.600 0.014 0.000 1.180 366 K CA 0.018 56.322 56.287 0.028 0.000 1.557 366 K CB -0.783 31.732 32.500 0.026 0.000 2.225 366 K HN 0.485 nan 8.250 nan 0.000 0.479 367 G N 1.679 110.489 108.800 0.018 0.000 2.680 367 G HA2 -0.276 3.685 3.960 0.002 0.000 0.652 367 G HA3 -0.276 3.685 3.960 0.002 0.000 0.652 367 G C -0.366 174.495 174.900 -0.065 0.000 1.344 367 G CA 0.696 45.801 45.100 0.009 0.000 0.923 367 G HN 0.591 nan 8.290 nan 0.000 0.547 368 D N -1.268 119.033 120.400 -0.164 0.000 2.525 368 D HA 0.144 4.785 4.640 0.002 0.000 0.231 368 D C 0.023 175.924 176.300 -0.664 0.000 1.216 368 D CA 0.363 54.108 54.000 -0.425 0.000 0.813 368 D CB 0.674 41.116 40.800 -0.596 0.000 1.108 368 D HN 0.382 nan 8.370 nan 0.000 0.524 369 Y N 0.895 121.206 120.300 0.019 0.000 2.517 369 Y HA 0.238 4.789 4.550 0.002 0.000 0.330 369 Y C -1.652 174.260 175.900 0.021 0.000 0.917 369 Y CA -1.749 56.362 58.100 0.018 0.000 1.131 369 Y CB 0.957 39.427 38.460 0.017 0.000 1.175 369 Y HN -0.109 nan 8.280 nan 0.000 0.620 370 P HA -0.185 nan 4.420 nan 0.000 0.216 370 P C 1.369 178.716 177.300 0.078 0.000 1.150 370 P CA 1.518 64.663 63.100 0.075 0.000 0.837 370 P CB 0.661 32.386 31.700 0.042 0.000 0.786 371 L N -0.569 120.702 121.223 0.080 0.000 2.044 371 L HA -0.135 4.206 4.340 0.002 0.000 0.205 371 L C 2.638 179.551 176.870 0.070 0.000 1.075 371 L CA 1.619 56.498 54.840 0.064 0.000 0.747 371 L CB -1.149 40.945 42.059 0.058 0.000 0.903 371 L HN -0.079 nan 8.230 nan 0.000 0.435 372 E N 0.673 120.935 120.200 0.102 0.000 2.118 372 E HA -0.192 4.159 4.350 0.002 0.000 0.195 372 E C 2.221 178.859 176.600 0.064 0.000 0.992 372 E CA 1.368 57.814 56.400 0.076 0.000 0.804 372 E CB -0.420 29.324 29.700 0.074 0.000 0.741 372 E HN 0.443 nan 8.360 nan 0.000 0.458 373 A N 0.492 123.364 122.820 0.086 0.000 1.877 373 A HA -0.162 4.159 4.320 0.002 0.000 0.216 373 A C 2.483 180.104 177.584 0.062 0.000 1.186 373 A CA 1.543 53.623 52.037 0.072 0.000 0.620 373 A CB -0.750 18.302 19.000 0.086 0.000 0.822 373 A HN 0.160 nan 8.150 nan 0.000 0.443 374 V N 0.125 120.074 119.914 0.059 0.000 2.343 374 V HA -0.276 3.845 4.120 0.002 0.000 0.247 374 V C 2.629 178.762 176.094 0.065 0.000 1.051 374 V CA 2.260 64.591 62.300 0.053 0.000 1.036 374 V CB -0.882 30.960 31.823 0.033 0.000 0.654 374 V HN 0.541 nan 8.190 nan 0.000 0.451 375 R N -0.682 119.849 120.500 0.052 0.000 2.081 375 R HA -0.169 4.172 4.340 0.002 0.000 0.235 375 R C 2.252 178.611 176.300 0.099 0.000 1.131 375 R CA 1.784 57.920 56.100 0.060 0.000 0.960 375 R CB -0.480 29.838 30.300 0.030 0.000 0.856 375 R HN 0.382 nan 8.270 nan 0.000 0.436 376 M N 0.989 120.629 119.600 0.068 0.000 2.132 376 M HA -0.148 4.333 4.480 0.002 0.000 0.263 376 M C 2.105 178.443 176.300 0.062 0.000 1.065 376 M CA 1.715 57.048 55.300 0.055 0.000 1.122 376 M CB -0.254 32.364 32.600 0.031 0.000 1.365 376 M HN -0.085 nan 8.290 nan 0.000 0.411 377 Q N -0.482 119.360 119.800 0.070 0.000 2.077 377 Q HA -0.250 4.091 4.340 0.002 0.000 0.206 377 Q C 2.284 178.330 176.000 0.078 0.000 0.989 377 Q CA 2.395 58.237 55.803 0.065 0.000 0.853 377 Q CB -0.765 28.014 28.738 0.068 0.000 0.907 377 Q HN 0.752 nan 8.270 nan 0.000 0.418 378 H N -0.413 118.668 119.070 0.018 0.000 2.353 378 H HA -0.100 4.457 4.556 0.002 0.000 0.300 378 H C 1.908 177.249 175.328 0.023 0.000 1.090 378 H CA 1.701 57.762 56.048 0.022 0.000 1.327 378 H CB -0.099 29.674 29.762 0.018 0.000 1.383 378 H HN 0.307 nan 8.280 nan 0.000 0.508 379 L N 0.379 121.644 121.223 0.071 0.000 2.017 379 L HA -0.201 4.140 4.340 0.002 0.000 0.208 379 L C 2.851 179.695 176.870 -0.043 0.000 1.073 379 L CA 0.685 55.532 54.840 0.012 0.000 0.745 379 L CB -0.328 41.772 42.059 0.070 0.000 0.894 379 L HN 0.258 nan 8.230 nan 0.000 0.432 380 I N 0.269 120.829 120.570 -0.017 0.000 2.179 380 I HA -0.277 3.894 4.170 0.002 0.000 0.242 380 I C 2.857 178.954 176.117 -0.034 0.000 1.088 380 I CA 1.698 62.988 61.300 -0.017 0.000 1.357 380 I CB -1.523 36.477 38.000 0.000 0.000 1.051 380 I HN 0.204 nan 8.210 nan 0.000 0.409 381 A N 1.802 124.591 122.820 -0.052 0.000 1.883 381 A HA -0.241 4.080 4.320 0.002 0.000 0.217 381 A C 2.455 179.994 177.584 -0.074 0.000 1.186 381 A CA 2.129 54.134 52.037 -0.054 0.000 0.624 381 A CB -0.711 18.256 19.000 -0.055 0.000 0.822 381 A HN 0.563 nan 8.150 nan 0.000 0.444 382 R N -1.067 119.340 120.500 -0.155 0.000 2.115 382 R HA -0.063 4.278 4.340 0.002 0.000 0.230 382 R C 1.584 177.855 176.300 -0.049 0.000 1.111 382 R CA 1.455 57.482 56.100 -0.122 0.000 0.976 382 R CB -0.363 29.813 30.300 -0.206 0.000 0.870 382 R HN 0.349 nan 8.270 nan 0.000 0.445 383 E N 1.409 121.582 120.200 -0.045 0.000 2.047 383 E HA -0.115 4.236 4.350 0.002 0.000 0.191 383 E C 2.147 178.743 176.600 -0.006 0.000 0.987 383 E CA 1.576 57.964 56.400 -0.020 0.000 0.799 383 E CB -0.319 29.369 29.700 -0.020 0.000 0.752 383 E HN 0.509 nan 8.360 nan 0.000 0.449 384 A N 1.377 124.195 122.820 -0.004 0.000 1.933 384 A HA -0.210 4.111 4.320 0.002 0.000 0.218 384 A C 1.998 179.601 177.584 0.030 0.000 1.175 384 A CA 1.609 53.654 52.037 0.012 0.000 0.628 384 A CB -0.438 18.571 19.000 0.015 0.000 0.814 384 A HN 0.232 nan 8.150 nan 0.000 0.444 385 E N -0.286 119.940 120.200 0.042 0.000 2.152 385 E HA -0.022 4.329 4.350 0.002 0.000 0.192 385 E C 2.170 178.850 176.600 0.133 0.000 0.983 385 E CA 0.758 57.218 56.400 0.100 0.000 0.818 385 E CB -0.244 29.520 29.700 0.107 0.000 0.758 385 E HN 0.617 nan 8.360 nan 0.000 0.467 386 A N 1.266 124.138 122.820 0.088 0.000 2.067 386 A HA 0.049 4.370 4.320 0.002 0.000 0.219 386 A C 2.172 179.787 177.584 0.051 0.000 1.158 386 A CA 1.221 53.315 52.037 0.094 0.000 0.661 386 A CB -0.185 18.840 19.000 0.043 0.000 0.801 386 A HN 0.234 nan 8.150 nan 0.000 0.452 387 A N -0.765 122.071 122.820 0.026 0.000 2.337 387 A HA 0.506 4.827 4.320 0.002 0.000 0.227 387 A C 0.493 178.139 177.584 0.102 0.000 1.259 387 A CA -0.165 51.889 52.037 0.028 0.000 0.870 387 A CB -0.356 18.637 19.000 -0.012 0.000 0.927 387 A HN 0.408 nan 8.150 nan 0.000 0.497 388 I N -0.996 119.547 120.570 -0.046 0.000 2.460 388 I HA 0.196 4.367 4.170 0.002 0.000 0.298 388 I C -0.422 175.473 176.117 -0.371 0.000 0.989 388 I CA -0.907 60.300 61.300 -0.154 0.000 1.173 388 I CB 1.328 39.199 38.000 -0.215 0.000 1.338 388 I HN 0.224 nan 8.210 nan 0.000 0.456 389 Y N 6.372 126.449 120.300 -0.372 0.000 2.594 389 Y HA 0.138 4.689 4.550 0.002 0.000 0.344 389 Y C 1.545 177.334 175.900 -0.185 0.000 1.185 389 Y CA -0.235 57.674 58.100 -0.317 0.000 1.565 389 Y CB -0.418 37.815 38.460 -0.379 0.000 1.415 389 Y HN 0.498 nan 8.280 nan 0.000 0.488 390 H N 2.930 122.155 119.070 0.258 0.000 2.319 390 H HA -0.234 4.323 4.556 0.002 0.000 0.297 390 H C 2.061 177.626 175.328 0.396 0.000 1.097 390 H CA 2.053 58.306 56.048 0.342 0.000 1.285 390 H CB -0.261 29.714 29.762 0.355 0.000 1.368 390 H HN 0.591 nan 8.280 nan 0.000 0.495 391 L N 1.357 122.821 121.223 0.403 0.000 2.042 391 L HA -0.192 4.149 4.340 0.002 0.000 0.210 391 L C 2.559 179.444 176.870 0.024 0.000 1.076 391 L CA 1.724 56.505 54.840 -0.097 0.000 0.749 391 L CB -0.648 41.365 42.059 -0.075 0.000 0.893 391 L HN 0.101 nan 8.230 nan 0.000 0.432 392 Q N -0.740 119.092 119.800 0.053 0.000 2.079 392 Q HA -0.190 4.151 4.340 0.002 0.000 0.200 392 Q C 2.084 178.065 176.000 -0.031 0.000 0.974 392 Q CA 2.069 57.750 55.803 -0.203 0.000 0.840 392 Q CB -0.629 27.802 28.738 -0.510 0.000 0.898 392 Q HN 0.521 nan 8.270 nan 0.000 0.430 393 L N -0.170 121.117 121.223 0.107 0.000 2.083 393 L HA -0.034 4.307 4.340 0.002 0.000 0.209 393 L C 2.062 179.060 176.870 0.213 0.000 1.083 393 L CA 1.787 56.715 54.840 0.147 0.000 0.752 393 L CB -0.843 41.334 42.059 0.196 0.000 0.899 393 L HN 0.430 nan 8.230 nan 0.000 0.433 394 F N -0.251 119.778 119.950 0.132 0.000 2.146 394 F HA -0.141 4.387 4.527 0.002 0.000 0.298 394 F C 2.268 178.123 175.800 0.092 0.000 1.096 394 F CA 1.148 59.252 58.000 0.173 0.000 1.275 394 F CB 0.026 39.181 39.000 0.259 0.000 1.008 394 F HN 0.075 nan 8.300 nan 0.000 0.480 395 E N 0.968 120.960 120.200 -0.347 0.000 2.118 395 E HA -0.224 4.127 4.350 0.002 0.000 0.195 395 E C 2.014 178.449 176.600 -0.276 0.000 0.992 395 E CA 1.577 57.706 56.400 -0.451 0.000 0.804 395 E CB -0.375 29.154 29.700 -0.285 0.000 0.741 395 E HN 0.647 nan 8.360 nan 0.000 0.458 396 E N 0.220 120.336 120.200 -0.140 0.000 2.072 396 E HA -0.095 4.257 4.350 0.002 0.000 0.191 396 E C 2.341 178.921 176.600 -0.033 0.000 0.985 396 E CA 0.513 56.868 56.400 -0.074 0.000 0.801 396 E CB -0.077 29.603 29.700 -0.034 0.000 0.750 396 E HN 0.178 nan 8.360 nan 0.000 0.452 397 L N 1.028 122.262 121.223 0.019 0.000 2.012 397 L HA -0.221 4.120 4.340 0.002 0.000 0.210 397 L C 2.770 179.724 176.870 0.141 0.000 1.073 397 L CA 1.694 56.604 54.840 0.117 0.000 0.748 397 L CB -0.604 41.612 42.059 0.262 0.000 0.891 397 L HN 0.154 nan 8.230 nan 0.000 0.431 398 R N 0.080 120.588 120.500 0.013 0.000 2.115 398 R HA -0.182 4.159 4.340 0.002 0.000 0.230 398 R C 2.307 178.581 176.300 -0.042 0.000 1.111 398 R CA 1.163 57.247 56.100 -0.027 0.000 0.976 398 R CB -0.407 29.674 30.300 -0.365 0.000 0.870 398 R HN 0.116 nan 8.270 nan 0.000 0.445 399 R N 1.131 121.580 120.500 -0.086 0.000 2.062 399 R HA -0.012 4.329 4.340 0.002 0.000 0.231 399 R C 1.934 178.225 176.300 -0.015 0.000 1.136 399 R CA 1.363 57.426 56.100 -0.061 0.000 0.948 399 R CB -0.670 29.582 30.300 -0.079 0.000 0.845 399 R HN 0.284 nan 8.270 nan 0.000 0.430 400 L N 0.680 121.905 121.223 0.002 0.000 2.275 400 L HA 0.211 4.552 4.340 0.002 0.000 0.215 400 L C 0.705 177.601 176.870 0.042 0.000 1.119 400 L CA 1.155 56.005 54.840 0.018 0.000 0.790 400 L CB -1.107 40.963 42.059 0.019 0.000 0.919 400 L HN 0.218 nan 8.230 nan 0.000 0.443 401 A N 1.101 123.967 122.820 0.077 0.000 2.440 401 A HA 0.448 4.769 4.320 0.002 0.000 0.251 401 A C -2.017 175.616 177.584 0.081 0.000 1.089 401 A CA -0.825 51.283 52.037 0.118 0.000 0.779 401 A CB -0.593 18.559 19.000 0.255 0.000 1.022 401 A HN 0.066 nan 8.150 nan 0.000 0.492 402 P HA 0.438 nan 4.420 nan 0.000 0.280 402 P C -0.666 176.668 177.300 0.057 0.000 1.272 402 P CA -0.624 62.508 63.100 0.053 0.000 0.819 402 P CB 0.610 32.337 31.700 0.046 0.000 1.122 403 I N 0.245 120.840 120.570 0.041 0.000 2.618 403 I HA 0.124 4.295 4.170 0.002 0.000 0.284 403 I C 1.453 177.599 176.117 0.048 0.000 1.146 403 I CA 1.140 62.463 61.300 0.039 0.000 1.425 403 I CB -0.224 37.793 38.000 0.028 0.000 1.383 403 I HN 0.311 nan 8.210 nan 0.000 0.562 404 T N 2.844 117.431 114.554 0.055 0.000 2.940 404 T HA 0.550 4.901 4.350 0.002 0.000 0.288 404 T C 0.653 175.389 174.700 0.060 0.000 1.045 404 T CA -0.084 62.053 62.100 0.062 0.000 1.018 404 T CB 1.129 70.044 68.868 0.078 0.000 1.151 404 T HN 0.671 nan 8.240 nan 0.000 0.529 405 S N 0.497 116.237 115.700 0.067 0.000 2.666 405 S HA 0.235 4.706 4.470 0.002 0.000 0.239 405 S C -0.080 174.580 174.600 0.099 0.000 1.031 405 S CA -0.404 57.840 58.200 0.073 0.000 1.015 405 S CB 0.103 63.340 63.200 0.062 0.000 0.981 405 S HN 0.667 nan 8.310 nan 0.000 0.547 406 D N 3.284 123.742 120.400 0.097 0.000 2.339 406 D HA 0.385 5.027 4.640 0.002 0.000 0.241 406 D C -1.755 174.597 176.300 0.088 0.000 1.183 406 D CA -2.231 51.838 54.000 0.115 0.000 0.859 406 D CB 1.483 42.335 40.800 0.087 0.000 1.067 406 D HN -0.020 nan 8.370 nan 0.000 0.484 407 P HA -0.167 nan 4.420 nan 0.000 0.217 407 P C 1.211 178.444 177.300 -0.112 0.000 1.148 407 P CA 1.531 64.673 63.100 0.070 0.000 0.828 407 P CB 0.058 31.942 31.700 0.306 0.000 0.783 408 T N -3.162 111.237 114.554 -0.258 0.000 2.821 408 T HA -0.131 4.220 4.350 0.002 0.000 0.267 408 T C 1.808 176.466 174.700 -0.071 0.000 1.046 408 T CA 1.108 63.057 62.100 -0.251 0.000 1.139 408 T CB -0.744 67.944 68.868 -0.299 0.000 0.871 408 T HN 0.007 nan 8.240 nan 0.000 0.454 409 E N 1.976 122.175 120.200 -0.002 0.000 2.072 409 E HA 0.132 4.483 4.350 0.002 0.000 0.191 409 E C 2.350 178.986 176.600 0.061 0.000 0.985 409 E CA 1.291 57.745 56.400 0.090 0.000 0.801 409 E CB -0.821 28.948 29.700 0.115 0.000 0.750 409 E HN 0.606 nan 8.360 nan 0.000 0.452 410 A N -0.533 122.301 122.820 0.024 0.000 1.898 410 A HA -0.146 4.175 4.320 0.002 0.000 0.216 410 A C 2.409 179.981 177.584 -0.020 0.000 1.181 410 A CA 2.014 54.053 52.037 0.002 0.000 0.620 410 A CB -0.966 18.046 19.000 0.020 0.000 0.819 410 A HN 0.332 nan 8.150 nan 0.000 0.442 411 T N 0.373 114.911 114.554 -0.026 0.000 2.788 411 T HA -0.018 4.333 4.350 0.002 0.000 0.268 411 T C 2.202 176.881 174.700 -0.036 0.000 1.044 411 T CA 1.496 63.573 62.100 -0.038 0.000 1.139 411 T CB -0.417 68.414 68.868 -0.061 0.000 0.867 411 T HN 0.588 nan 8.240 nan 0.000 0.454 412 A N 1.025 123.838 122.820 -0.012 0.000 1.902 412 A HA -0.051 4.270 4.320 0.002 0.000 0.217 412 A C 2.569 180.127 177.584 -0.044 0.000 1.181 412 A CA 1.419 53.473 52.037 0.028 0.000 0.623 412 A CB -0.946 18.150 19.000 0.160 0.000 0.818 412 A HN 0.371 nan 8.150 nan 0.000 0.443 413 V N -0.171 119.642 119.914 -0.168 0.000 2.427 413 V HA -0.120 4.001 4.120 0.002 0.000 0.248 413 V C 2.758 178.789 176.094 -0.105 0.000 1.051 413 V CA 1.755 63.867 62.300 -0.315 0.000 1.048 413 V CB -1.399 30.201 31.823 -0.371 0.000 0.666 413 V HN 0.602 nan 8.190 nan 0.000 0.456 414 G N -0.357 108.404 108.800 -0.066 0.000 2.422 414 G HA2 -0.126 3.835 3.960 0.002 0.000 0.218 414 G HA3 -0.126 3.835 3.960 0.002 0.000 0.218 414 G C 1.718 176.591 174.900 -0.045 0.000 1.140 414 G CA 0.962 46.043 45.100 -0.032 0.000 0.775 414 G HN 0.587 nan 8.290 nan 0.000 0.545 415 A N 0.181 122.961 122.820 -0.067 0.000 1.897 415 A HA 0.154 4.475 4.320 0.002 0.000 0.215 415 A C 2.574 180.080 177.584 -0.129 0.000 1.181 415 A CA 1.578 53.565 52.037 -0.085 0.000 0.620 415 A CB -0.529 18.426 19.000 -0.075 0.000 0.821 415 A HN 0.211 nan 8.150 nan 0.000 0.443 416 V N 0.251 120.064 119.914 -0.168 0.000 2.295 416 V HA -0.220 3.901 4.120 0.002 0.000 0.246 416 V C 2.595 178.540 176.094 -0.248 0.000 1.049 416 V CA 2.122 64.232 62.300 -0.317 0.000 1.024 416 V CB -0.688 30.846 31.823 -0.482 0.000 0.648 416 V HN 0.517 nan 8.190 nan 0.000 0.447 417 E N 0.269 120.427 120.200 -0.069 0.000 2.051 417 E HA -0.208 4.143 4.350 0.002 0.000 0.192 417 E C 2.369 179.026 176.600 0.095 0.000 0.991 417 E CA 1.572 58.059 56.400 0.145 0.000 0.799 417 E CB -0.419 29.388 29.700 0.178 0.000 0.748 417 E HN 0.560 nan 8.360 nan 0.000 0.449 418 A N 0.716 123.540 122.820 0.007 0.000 1.972 418 A HA -0.164 4.157 4.320 0.002 0.000 0.219 418 A C 2.371 179.927 177.584 -0.047 0.000 1.169 418 A CA 1.813 53.842 52.037 -0.014 0.000 0.635 418 A CB -0.486 18.489 19.000 -0.042 0.000 0.810 418 A HN 0.217 nan 8.150 nan 0.000 0.446 419 S N -1.565 114.062 115.700 -0.121 0.000 2.383 419 S HA -0.085 4.386 4.470 0.002 0.000 0.227 419 S C 1.628 176.099 174.600 -0.215 0.000 1.026 419 S CA 1.285 59.352 58.200 -0.223 0.000 0.981 419 S CB -0.460 62.517 63.200 -0.371 0.000 0.818 419 S HN 0.484 nan 8.310 nan 0.000 0.472 420 F N 1.747 121.648 119.950 -0.081 0.000 2.206 420 F HA 0.146 4.674 4.527 0.002 0.000 0.298 420 F C 2.269 178.064 175.800 -0.009 0.000 1.090 420 F CA 1.192 59.173 58.000 -0.032 0.000 1.323 420 F CB -0.477 38.532 39.000 0.014 0.000 1.028 420 F HN 0.135 nan 8.300 nan 0.000 0.492 421 K N 0.708 121.213 120.400 0.176 0.000 2.097 421 K HA -0.168 4.153 4.320 0.002 0.000 0.206 421 K C 1.774 178.404 176.600 0.050 0.000 1.049 421 K CA 1.884 58.231 56.287 0.100 0.000 0.933 421 K CB -0.651 31.890 32.500 0.068 0.000 0.717 421 K HN 0.406 nan 8.250 nan 0.000 0.442 422 C N -2.062 117.246 119.300 0.014 0.000 2.884 422 C HA 0.430 4.891 4.460 0.002 0.000 0.287 422 C C 0.724 175.699 174.990 -0.025 0.000 1.310 422 C CA -0.790 58.220 59.018 -0.012 0.000 1.725 422 C CB -1.858 25.860 27.740 -0.037 0.000 2.060 422 C HN 0.525 nan 8.230 nan 0.000 0.618 423 C N 3.742 123.032 119.300 -0.016 0.000 3.727 423 C HA -0.098 4.363 4.460 0.002 0.000 0.293 423 C C 1.003 175.947 174.990 -0.077 0.000 1.339 423 C CA 0.766 59.762 59.018 -0.037 0.000 2.150 423 C CB -3.038 24.702 27.740 -0.000 0.000 1.383 423 C HN 1.113 nan 8.230 nan 0.000 0.614 424 S N 1.130 116.758 115.700 -0.121 0.000 2.579 424 S HA 0.445 4.917 4.470 0.002 0.000 0.275 424 S C 1.426 175.955 174.600 -0.117 0.000 1.345 424 S CA 0.385 58.504 58.200 -0.136 0.000 1.031 424 S CB 1.634 64.733 63.200 -0.168 0.000 0.892 424 S HN 1.519 nan 8.310 nan 0.000 0.529 425 G N 0.980 109.725 108.800 -0.092 0.000 2.598 425 G HA2 0.449 4.410 3.960 0.002 0.000 0.215 425 G HA3 0.449 4.410 3.960 0.002 0.000 0.215 425 G C 0.400 175.375 174.900 0.125 0.000 1.131 425 G CA 0.322 45.470 45.100 0.080 0.000 0.785 425 G HN 1.534 nan 8.290 nan 0.000 0.539 426 A N -1.317 121.472 122.820 -0.050 0.000 2.522 426 A HA 0.550 4.871 4.320 0.002 0.000 0.294 426 A C -2.108 175.408 177.584 -0.114 0.000 1.001 426 A CA -0.740 51.267 52.037 -0.051 0.000 0.642 426 A CB 0.287 19.393 19.000 0.175 0.000 1.326 426 A HN 0.165 nan 8.150 nan 0.000 0.435 427 I N 1.175 121.684 120.570 -0.101 0.000 2.382 427 I HA 0.442 4.613 4.170 0.002 0.000 0.285 427 I C -0.414 175.677 176.117 -0.043 0.000 1.007 427 I CA 0.014 61.256 61.300 -0.096 0.000 1.142 427 I CB 1.441 39.373 38.000 -0.113 0.000 1.289 427 I HN 0.487 nan 8.210 nan 0.000 0.453 428 I N 6.831 127.381 120.570 -0.033 0.000 2.325 428 I HA 0.349 4.520 4.170 0.002 0.000 0.291 428 I C -0.573 175.542 176.117 -0.004 0.000 1.019 428 I CA -0.605 60.699 61.300 0.007 0.000 1.302 428 I CB 0.927 38.934 38.000 0.012 0.000 1.401 428 I HN 0.157 nan 8.210 nan 0.000 0.485 429 V N 7.607 127.527 119.914 0.010 0.000 2.407 429 V HA 0.309 4.430 4.120 0.002 0.000 0.291 429 V C -0.203 175.898 176.094 0.011 0.000 1.018 429 V CA -0.691 61.608 62.300 -0.002 0.000 0.842 429 V CB 1.602 33.413 31.823 -0.021 0.000 0.996 429 V HN 0.369 nan 8.190 nan 0.000 0.426 430 L N 4.415 125.646 121.223 0.014 0.000 2.281 430 L HA 0.671 5.012 4.340 0.002 0.000 0.285 430 L C 0.410 177.296 176.870 0.026 0.000 1.074 430 L CA 0.926 55.782 54.840 0.026 0.000 0.817 430 L CB 1.271 43.341 42.059 0.019 0.000 1.168 430 L HN 0.818 nan 8.230 nan 0.000 0.434 431 T N 2.399 116.964 114.554 0.018 0.000 2.923 431 T HA 0.428 4.779 4.350 0.002 0.000 0.311 431 T C 0.531 175.234 174.700 0.006 0.000 1.183 431 T CA -0.622 61.473 62.100 -0.008 0.000 1.020 431 T CB 1.042 69.860 68.868 -0.084 0.000 1.165 431 T HN 0.531 nan 8.240 nan 0.000 0.482 432 K N 1.607 122.013 120.400 0.010 0.000 2.190 432 K HA 0.128 4.449 4.320 0.002 0.000 0.202 432 K C 2.255 178.853 176.600 -0.004 0.000 1.045 432 K CA 1.256 57.556 56.287 0.022 0.000 0.976 432 K CB -0.557 31.970 32.500 0.044 0.000 0.849 432 K HN 0.631 nan 8.250 nan 0.000 0.468 433 S N -0.695 114.988 115.700 -0.030 0.000 2.503 433 S HA 0.181 4.652 4.470 0.002 0.000 0.217 433 S C 1.509 176.043 174.600 -0.109 0.000 0.999 433 S CA 0.806 58.984 58.200 -0.038 0.000 0.914 433 S CB 0.365 63.550 63.200 -0.026 0.000 0.782 433 S HN 0.426 nan 8.310 nan 0.000 0.520 434 G N 2.019 110.692 108.800 -0.211 0.000 2.213 434 G HA2 -0.344 3.617 3.960 0.002 0.000 0.236 434 G HA3 -0.344 3.617 3.960 0.002 0.000 0.236 434 G C 0.927 175.238 174.900 -0.981 0.000 0.991 434 G CA 0.420 45.239 45.100 -0.468 0.000 0.629 434 G HN 0.543 nan 8.290 nan 0.000 0.517 435 R N 1.054 121.194 120.500 -0.600 0.000 2.112 435 R HA -0.104 4.237 4.340 0.002 0.000 0.242 435 R C 2.598 178.698 176.300 -0.333 0.000 1.137 435 R CA 2.560 58.398 56.100 -0.437 0.000 0.944 435 R CB -0.549 29.664 30.300 -0.145 0.000 0.857 435 R HN 0.405 nan 8.270 nan 0.000 0.435 436 S N 0.116 115.676 115.700 -0.235 0.000 2.383 436 S HA -0.155 4.316 4.470 0.002 0.000 0.229 436 S C 1.926 176.438 174.600 -0.147 0.000 1.030 436 S CA 1.232 59.343 58.200 -0.147 0.000 1.002 436 S CB -0.222 62.916 63.200 -0.103 0.000 0.829 436 S HN 0.603 nan 8.310 nan 0.000 0.467 437 A N 1.082 123.768 122.820 -0.223 0.000 1.930 437 A HA -0.125 4.196 4.320 0.002 0.000 0.217 437 A C 1.673 179.184 177.584 -0.122 0.000 1.175 437 A CA 1.385 53.328 52.037 -0.156 0.000 0.627 437 A CB -0.840 18.066 19.000 -0.156 0.000 0.815 437 A HN 0.699 nan 8.150 nan 0.000 0.443 438 H N -0.795 118.093 119.070 -0.304 0.000 2.357 438 H HA -0.113 4.444 4.556 0.002 0.000 0.301 438 H C 2.305 177.529 175.328 -0.174 0.000 1.082 438 H CA 1.263 57.036 56.048 -0.458 0.000 1.342 438 H CB -0.013 29.358 29.762 -0.651 0.000 1.389 438 H HN 0.587 nan 8.280 nan 0.000 0.511 439 Q N 0.448 120.251 119.800 0.005 0.000 2.124 439 Q HA -0.111 4.230 4.340 0.002 0.000 0.202 439 Q C 2.489 178.542 176.000 0.088 0.000 0.977 439 Q CA 1.405 57.228 55.803 0.035 0.000 0.850 439 Q CB 0.134 28.901 28.738 0.048 0.000 0.901 439 Q HN 0.301 nan 8.270 nan 0.000 0.429 440 V N 0.586 120.548 119.914 0.081 0.000 2.453 440 V HA -0.175 3.946 4.120 0.002 0.000 0.247 440 V C 2.189 178.348 176.094 0.108 0.000 1.048 440 V CA 1.513 63.893 62.300 0.134 0.000 1.049 440 V CB -0.780 31.068 31.823 0.042 0.000 0.672 440 V HN 0.350 nan 8.190 nan 0.000 0.457 441 A N 1.609 124.465 122.820 0.060 0.000 1.972 441 A HA -0.226 4.095 4.320 0.002 0.000 0.219 441 A C 2.341 179.965 177.584 0.066 0.000 1.169 441 A CA 1.818 53.904 52.037 0.082 0.000 0.635 441 A CB -0.511 18.569 19.000 0.134 0.000 0.810 441 A HN 0.708 nan 8.150 nan 0.000 0.446 442 R N -2.047 118.434 120.500 -0.033 0.000 2.193 442 R HA -0.119 4.222 4.340 0.002 0.000 0.229 442 R C 0.942 177.121 176.300 -0.203 0.000 1.110 442 R CA 1.598 57.605 56.100 -0.157 0.000 0.988 442 R CB -0.606 29.502 30.300 -0.320 0.000 0.871 442 R HN 0.487 nan 8.270 nan 0.000 0.458 443 Y N 1.037 121.442 120.300 0.175 0.000 2.490 443 Y HA 0.259 4.810 4.550 0.002 0.000 0.281 443 Y C 0.095 176.155 175.900 0.265 0.000 1.174 443 Y CA -0.518 57.753 58.100 0.285 0.000 1.295 443 Y CB 0.220 38.849 38.460 0.282 0.000 1.062 443 Y HN -0.099 nan 8.280 nan 0.000 0.522 444 R N -0.115 120.531 120.500 0.244 0.000 3.092 444 R HA -0.168 4.173 4.340 0.002 0.000 0.245 444 R C -2.800 173.601 176.300 0.169 0.000 0.881 444 R CA 0.235 56.460 56.100 0.209 0.000 0.614 444 R CB -2.151 28.307 30.300 0.263 0.000 1.128 444 R HN 0.315 nan 8.270 nan 0.000 0.483 445 P HA -0.021 nan 4.420 nan 0.000 0.272 445 P C 0.672 177.801 177.300 -0.285 0.000 1.240 445 P CA -0.207 62.717 63.100 -0.293 0.000 0.791 445 P CB 0.426 31.899 31.700 -0.378 0.000 0.978 446 R N 1.104 121.283 120.500 -0.535 0.000 2.075 446 R HA 0.194 4.535 4.340 0.002 0.000 0.226 446 R C 1.103 177.137 176.300 -0.443 0.000 1.114 446 R CA 0.362 56.147 56.100 -0.525 0.000 0.972 446 R CB -1.118 28.921 30.300 -0.436 0.000 0.869 446 R HN 0.422 nan 8.270 nan 0.000 0.437 447 A N 3.617 126.179 122.820 -0.430 0.000 2.498 447 A HA 0.271 4.592 4.320 0.002 0.000 0.239 447 A C -2.064 175.343 177.584 -0.294 0.000 1.068 447 A CA -1.432 50.410 52.037 -0.324 0.000 0.766 447 A CB -0.148 18.676 19.000 -0.292 0.000 1.003 447 A HN 0.263 nan 8.150 nan 0.000 0.497 448 P HA 0.217 nan 4.420 nan 0.000 0.274 448 P C -0.757 176.413 177.300 -0.218 0.000 1.231 448 P CA -0.098 62.794 63.100 -0.346 0.000 0.790 448 P CB 0.709 31.973 31.700 -0.727 0.000 0.951 449 I N 3.758 124.261 120.570 -0.112 0.000 2.307 449 I HA 0.286 4.457 4.170 0.002 0.000 0.289 449 I C 0.756 176.902 176.117 0.049 0.000 1.021 449 I CA -0.711 60.568 61.300 -0.035 0.000 1.224 449 I CB 0.220 38.213 38.000 -0.012 0.000 1.376 449 I HN 0.241 nan 8.210 nan 0.000 0.470 450 I N 5.945 126.561 120.570 0.076 0.000 2.281 450 I HA 0.264 4.435 4.170 0.002 0.000 0.293 450 I C 0.702 176.892 176.117 0.122 0.000 1.085 450 I CA -0.289 61.117 61.300 0.176 0.000 1.257 450 I CB 0.917 39.042 38.000 0.208 0.000 1.430 450 I HN 0.599 nan 8.210 nan 0.000 0.489 451 A N 7.266 130.150 122.820 0.107 0.000 2.316 451 A HA 0.532 4.853 4.320 0.002 0.000 0.311 451 A C -0.142 177.493 177.584 0.086 0.000 1.339 451 A CA -0.384 51.688 52.037 0.057 0.000 0.960 451 A CB 0.164 19.170 19.000 0.009 0.000 1.152 451 A HN 0.465 nan 8.150 nan 0.000 0.547 452 V N 3.082 123.056 119.914 0.100 0.000 2.406 452 V HA 0.613 4.734 4.120 0.002 0.000 0.272 452 V C 0.619 176.770 176.094 0.095 0.000 1.043 452 V CA 0.053 62.443 62.300 0.150 0.000 0.915 452 V CB 0.954 32.889 31.823 0.188 0.000 0.988 452 V HN 0.944 nan 8.190 nan 0.000 0.466 453 T N 4.213 118.824 114.554 0.094 0.000 2.883 453 T HA 0.469 4.820 4.350 0.002 0.000 0.301 453 T C 0.425 175.148 174.700 0.040 0.000 1.158 453 T CA -0.637 61.495 62.100 0.053 0.000 1.007 453 T CB 1.844 70.732 68.868 0.034 0.000 1.186 453 T HN 0.627 nan 8.240 nan 0.000 0.499 454 R N 1.167 121.680 120.500 0.021 0.000 2.334 454 R HA 0.259 4.600 4.340 0.002 0.000 0.212 454 R C 0.475 176.780 176.300 0.008 0.000 0.897 454 R CA -0.283 55.816 56.100 -0.002 0.000 1.056 454 R CB 0.259 30.554 30.300 -0.008 0.000 1.046 454 R HN 0.380 nan 8.270 nan 0.000 0.513 455 N N 1.780 120.492 118.700 0.021 0.000 2.406 455 N HA 0.070 4.811 4.740 0.002 0.000 0.251 455 N C -2.091 173.437 175.510 0.031 0.000 1.069 455 N CA -1.813 51.251 53.050 0.022 0.000 0.947 455 N CB 1.638 40.139 38.487 0.023 0.000 1.111 455 N HN -0.163 nan 8.380 nan 0.000 0.497 456 P HA -0.149 nan 4.420 nan 0.000 0.216 456 P C 1.186 178.520 177.300 0.056 0.000 1.150 456 P CA 1.178 64.308 63.100 0.051 0.000 0.837 456 P CB 0.364 32.089 31.700 0.041 0.000 0.786 457 Q N -0.979 118.846 119.800 0.042 0.000 2.119 457 Q HA -0.117 4.224 4.340 0.002 0.000 0.201 457 Q C 1.747 177.778 176.000 0.051 0.000 0.972 457 Q CA 1.765 57.595 55.803 0.044 0.000 0.847 457 Q CB -0.501 28.258 28.738 0.034 0.000 0.903 457 Q HN 0.139 nan 8.270 nan 0.000 0.433 458 T N 0.671 115.251 114.554 0.044 0.000 2.708 458 T HA -0.153 4.198 4.350 0.002 0.000 0.266 458 T C 1.794 176.512 174.700 0.030 0.000 1.037 458 T CA 1.267 63.394 62.100 0.044 0.000 1.146 458 T CB -0.439 68.441 68.868 0.020 0.000 0.865 458 T HN 0.474 nan 8.240 nan 0.000 0.435 459 A N 1.987 124.820 122.820 0.022 0.000 1.892 459 A HA -0.197 4.124 4.320 0.002 0.000 0.218 459 A C 2.394 179.940 177.584 -0.063 0.000 1.188 459 A CA 1.710 53.742 52.037 -0.009 0.000 0.631 459 A CB -0.538 18.494 19.000 0.054 0.000 0.822 459 A HN 0.451 nan 8.150 nan 0.000 0.447 460 R N -0.753 119.760 120.500 0.022 0.000 2.075 460 R HA -0.114 4.227 4.340 0.002 0.000 0.232 460 R C 2.398 178.748 176.300 0.083 0.000 1.126 460 R CA 1.555 57.699 56.100 0.074 0.000 0.963 460 R CB -0.365 29.994 30.300 0.098 0.000 0.858 460 R HN 0.691 nan 8.270 nan 0.000 0.435 461 Q N 0.196 120.044 119.800 0.080 0.000 2.291 461 Q HA -0.024 4.317 4.340 0.002 0.000 0.205 461 Q C 2.061 178.161 176.000 0.167 0.000 0.970 461 Q CA 1.013 56.893 55.803 0.128 0.000 0.876 461 Q CB -0.019 28.803 28.738 0.140 0.000 0.935 461 Q HN 0.344 nan 8.270 nan 0.000 0.455 462 A N 0.926 123.796 122.820 0.085 0.000 2.024 462 A HA -0.216 4.105 4.320 0.002 0.000 0.220 462 A C 1.494 179.145 177.584 0.112 0.000 1.164 462 A CA 1.214 53.315 52.037 0.106 0.000 0.643 462 A CB -0.623 18.346 19.000 -0.051 0.000 0.806 462 A HN 0.376 nan 8.150 nan 0.000 0.451 463 H N -0.426 118.724 119.070 0.134 0.000 2.518 463 H HA -0.033 4.524 4.556 0.002 0.000 0.292 463 H C 1.797 177.181 175.328 0.093 0.000 1.068 463 H CA 1.189 57.294 56.048 0.094 0.000 1.275 463 H CB -0.259 29.532 29.762 0.048 0.000 1.375 463 H HN 0.461 nan 8.280 nan 0.000 0.563 464 L N -0.190 121.148 121.223 0.191 0.000 2.275 464 L HA -0.128 4.213 4.340 0.002 0.000 0.215 464 L C 0.162 176.923 176.870 -0.182 0.000 1.119 464 L CA 0.723 55.554 54.840 -0.016 0.000 0.790 464 L CB -0.131 41.844 42.059 -0.139 0.000 0.919 464 L HN 0.145 nan 8.230 nan 0.000 0.443 465 Y N -0.373 119.929 120.300 0.003 0.000 2.335 465 Y HA 0.326 4.877 4.550 0.002 0.000 0.339 465 Y C 0.629 176.555 175.900 0.042 0.000 0.987 465 Y CA -0.918 57.180 58.100 -0.003 0.000 1.140 465 Y CB 0.694 39.140 38.460 -0.023 0.000 1.173 465 Y HN -0.070 nan 8.280 nan 0.000 0.486 466 R N 1.508 122.094 120.500 0.143 0.000 2.585 466 R HA 0.285 4.626 4.340 0.002 0.000 0.275 466 R C 1.184 177.560 176.300 0.126 0.000 1.018 466 R CA 1.475 57.647 56.100 0.120 0.000 1.072 466 R CB -0.099 30.253 30.300 0.086 0.000 0.953 466 R HN 1.031 nan 8.270 nan 0.000 0.419 467 G N 3.387 112.248 108.800 0.103 0.000 2.225 467 G HA2 -0.273 3.688 3.960 0.002 0.000 0.254 467 G HA3 -0.273 3.688 3.960 0.002 0.000 0.254 467 G C -0.194 174.748 174.900 0.071 0.000 0.988 467 G CA 0.188 45.323 45.100 0.057 0.000 0.625 467 G HN 0.494 nan 8.290 nan 0.000 0.527 468 I N 0.772 121.417 120.570 0.126 0.000 2.342 468 I HA 0.574 4.746 4.170 0.002 0.000 0.291 468 I C -0.161 176.057 176.117 0.168 0.000 1.010 468 I CA -1.303 60.070 61.300 0.122 0.000 1.308 468 I CB 1.048 39.116 38.000 0.113 0.000 1.400 468 I HN 0.089 nan 8.210 nan 0.000 0.488 469 F N 9.041 129.001 119.950 0.017 0.000 2.307 469 F HA 0.526 5.055 4.527 0.002 0.000 0.369 469 F C -2.239 173.592 175.800 0.050 0.000 1.076 469 F CA -2.609 55.433 58.000 0.069 0.000 1.149 469 F CB 0.827 39.889 39.000 0.103 0.000 1.410 469 F HN 0.314 nan 8.300 nan 0.000 0.481 470 P HA 0.181 nan 4.420 nan 0.000 0.276 470 P C -1.165 176.061 177.300 -0.123 0.000 1.230 470 P CA 0.036 63.037 63.100 -0.165 0.000 0.776 470 P CB 1.756 33.284 31.700 -0.286 0.000 0.888 471 V N 2.044 122.002 119.914 0.073 0.000 2.577 471 V HA 0.444 4.565 4.120 0.002 0.000 0.303 471 V C -0.658 175.628 176.094 0.320 0.000 1.042 471 V CA -1.262 61.167 62.300 0.215 0.000 0.872 471 V CB 1.688 33.650 31.823 0.232 0.000 0.998 471 V HN 0.311 nan 8.190 nan 0.000 0.423 472 L N 6.141 127.564 121.223 0.335 0.000 2.268 472 L HA 0.545 4.886 4.340 0.002 0.000 0.289 472 L C 0.216 177.137 176.870 0.085 0.000 1.064 472 L CA 0.079 55.039 54.840 0.201 0.000 0.824 472 L CB 0.404 42.561 42.059 0.165 0.000 1.202 472 L HN 1.064 nan 8.230 nan 0.000 0.433 473 C N 6.574 125.828 119.300 -0.075 0.000 2.624 473 C HA 0.199 4.660 4.460 0.002 0.000 0.397 473 C C 1.640 176.405 174.990 -0.376 0.000 1.331 473 C CA -0.543 58.156 59.018 -0.531 0.000 1.716 473 C CB -0.588 26.938 27.740 -0.357 0.000 2.452 473 C HN 0.913 nan 8.230 nan 0.000 0.586 474 K N 2.972 123.102 120.400 -0.450 0.000 2.128 474 K HA 0.077 4.398 4.320 0.002 0.000 0.202 474 K C 0.691 177.162 176.600 -0.216 0.000 1.050 474 K CA 0.534 56.665 56.287 -0.260 0.000 0.966 474 K CB -0.531 31.841 32.500 -0.214 0.000 0.759 474 K HN 0.738 nan 8.250 nan 0.000 0.454 475 D N 3.049 123.293 120.400 -0.260 0.000 2.631 475 D HA -0.079 4.562 4.640 0.002 0.000 0.225 475 D C -2.024 174.203 176.300 -0.123 0.000 1.189 475 D CA 0.088 53.985 54.000 -0.171 0.000 0.871 475 D CB 0.140 40.833 40.800 -0.178 0.000 1.224 475 D HN 0.110 nan 8.370 nan 0.000 0.510 476 P HA 0.083 nan 4.420 nan 0.000 0.284 476 P C -0.249 177.025 177.300 -0.044 0.000 1.253 476 P CA -0.503 62.564 63.100 -0.055 0.000 0.800 476 P CB 0.839 32.515 31.700 -0.040 0.000 0.961 477 V N 3.207 123.104 119.914 -0.027 0.000 2.928 477 V HA -0.070 4.051 4.120 0.002 0.000 0.307 477 V C 1.113 177.206 176.094 -0.002 0.000 1.105 477 V CA 0.426 62.721 62.300 -0.009 0.000 1.223 477 V CB -0.454 31.381 31.823 0.021 0.000 0.930 477 V HN 0.546 nan 8.190 nan 0.000 0.499 478 Q N 2.711 122.511 119.800 0.000 0.000 2.230 478 Q HA 0.258 4.599 4.340 0.002 0.000 0.253 478 Q C 1.122 177.144 176.000 0.037 0.000 0.919 478 Q CA -0.356 55.451 55.803 0.006 0.000 0.908 478 Q CB 1.659 30.390 28.738 -0.013 0.000 1.245 478 Q HN 0.805 nan 8.270 nan 0.000 0.437 479 E N 1.514 121.735 120.200 0.035 0.000 2.055 479 E HA -0.200 4.151 4.350 0.002 0.000 0.209 479 E C 0.152 176.800 176.600 0.079 0.000 1.036 479 E CA 1.532 57.961 56.400 0.048 0.000 0.849 479 E CB -0.096 29.625 29.700 0.035 0.000 0.767 479 E HN 0.626 nan 8.360 nan 0.000 0.461 480 A N 1.343 124.208 122.820 0.075 0.000 2.362 480 A HA 0.001 4.322 4.320 0.002 0.000 0.276 480 A C 0.526 178.202 177.584 0.152 0.000 1.153 480 A CA -0.420 51.684 52.037 0.112 0.000 0.813 480 A CB -0.130 18.919 19.000 0.081 0.000 1.081 480 A HN 0.584 nan 8.150 nan 0.000 0.507 481 W N 3.217 124.531 121.300 0.022 0.000 2.321 481 W HA -0.311 4.350 4.660 0.002 0.000 0.306 481 W C 1.595 178.135 176.519 0.035 0.000 1.217 481 W CA 2.330 59.692 57.345 0.029 0.000 1.257 481 W CB -0.258 29.224 29.460 0.036 0.000 1.145 481 W HN 0.774 nan 8.180 nan 0.000 0.509 482 A N 0.703 123.556 122.820 0.055 0.000 1.902 482 A HA -0.235 4.086 4.320 0.002 0.000 0.217 482 A C 1.855 179.359 177.584 -0.133 0.000 1.181 482 A CA 1.889 53.885 52.037 -0.068 0.000 0.623 482 A CB -0.831 18.207 19.000 0.063 0.000 0.818 482 A HN 0.288 nan 8.150 nan 0.000 0.443 483 E N -0.221 119.937 120.200 -0.071 0.000 2.107 483 E HA -0.151 4.200 4.350 0.002 0.000 0.191 483 E C 1.580 178.111 176.600 -0.116 0.000 0.982 483 E CA 1.342 57.701 56.400 -0.069 0.000 0.809 483 E CB -0.453 29.232 29.700 -0.025 0.000 0.756 483 E HN 0.719 nan 8.360 nan 0.000 0.459 484 D N 0.092 120.399 120.400 -0.154 0.000 2.178 484 D HA -0.103 4.538 4.640 0.002 0.000 0.202 484 D C 1.880 178.002 176.300 -0.297 0.000 0.974 484 D CA 0.562 54.450 54.000 -0.186 0.000 0.841 484 D CB 0.271 40.981 40.800 -0.150 0.000 0.953 484 D HN -0.084 nan 8.370 nan 0.000 0.478 485 V N 0.600 120.232 119.914 -0.470 0.000 2.307 485 V HA -0.181 3.940 4.120 0.002 0.000 0.245 485 V C 1.810 177.770 176.094 -0.223 0.000 1.045 485 V CA 1.859 63.881 62.300 -0.463 0.000 1.024 485 V CB -0.444 31.023 31.823 -0.593 0.000 0.651 485 V HN 0.221 nan 8.190 nan 0.000 0.449 486 D N -0.177 120.122 120.400 -0.167 0.000 2.178 486 D HA -0.151 4.490 4.640 0.002 0.000 0.201 486 D C 2.030 178.300 176.300 -0.049 0.000 0.980 486 D CA 1.115 55.063 54.000 -0.086 0.000 0.842 486 D CB -0.173 40.589 40.800 -0.063 0.000 0.948 486 D HN 0.396 nan 8.370 nan 0.000 0.472 487 L N 0.503 121.689 121.223 -0.061 0.000 2.017 487 L HA -0.153 4.188 4.340 0.002 0.000 0.208 487 L C 2.417 179.299 176.870 0.019 0.000 1.073 487 L CA 1.316 56.141 54.840 -0.024 0.000 0.745 487 L CB 0.042 42.071 42.059 -0.051 0.000 0.894 487 L HN -0.121 nan 8.230 nan 0.000 0.432 488 R N -1.054 119.438 120.500 -0.014 0.000 2.092 488 R HA -0.105 4.236 4.340 0.002 0.000 0.231 488 R C 2.114 178.485 176.300 0.118 0.000 1.119 488 R CA 1.354 57.488 56.100 0.057 0.000 0.970 488 R CB -0.269 30.023 30.300 -0.014 0.000 0.864 488 R HN 0.295 nan 8.270 nan 0.000 0.440 489 V N 1.306 121.244 119.914 0.039 0.000 2.427 489 V HA -0.228 3.893 4.120 0.002 0.000 0.248 489 V C 1.428 177.566 176.094 0.073 0.000 1.051 489 V CA 1.861 64.184 62.300 0.038 0.000 1.048 489 V CB -0.515 31.299 31.823 -0.015 0.000 0.666 489 V HN 0.413 nan 8.190 nan 0.000 0.456 490 N N -0.636 118.111 118.700 0.079 0.000 2.331 490 N HA -0.135 4.606 4.740 0.002 0.000 0.180 490 N C 1.715 177.316 175.510 0.152 0.000 1.019 490 N CA 1.015 54.120 53.050 0.092 0.000 0.881 490 N CB -0.167 38.361 38.487 0.069 0.000 0.972 490 N HN 0.487 nan 8.380 nan 0.000 0.435 491 F N 2.102 122.071 119.950 0.032 0.000 2.113 491 F HA -0.023 4.505 4.527 0.002 0.000 0.297 491 F C 2.235 178.084 175.800 0.081 0.000 1.103 491 F CA 1.131 59.158 58.000 0.045 0.000 1.248 491 F CB -0.640 38.380 39.000 0.034 0.000 0.999 491 F HN -0.038 nan 8.300 nan 0.000 0.475 492 A N 0.825 123.645 122.820 -0.000 0.000 1.940 492 A HA -0.204 4.117 4.320 0.002 0.000 0.219 492 A C 2.272 179.899 177.584 0.072 0.000 1.176 492 A CA 1.938 53.955 52.037 -0.033 0.000 0.631 492 A CB -0.744 18.314 19.000 0.098 0.000 0.814 492 A HN 0.452 nan 8.150 nan 0.000 0.446 493 M N -0.007 119.673 119.600 0.133 0.000 2.086 493 M HA -0.140 4.341 4.480 0.002 0.000 0.261 493 M C 1.662 178.053 176.300 0.152 0.000 1.067 493 M CA 1.364 56.818 55.300 0.256 0.000 1.116 493 M CB -1.409 31.277 32.600 0.144 0.000 1.348 493 M HN 0.430 nan 8.290 nan 0.000 0.407 494 N N 0.259 118.968 118.700 0.016 0.000 2.188 494 N HA -0.079 4.662 4.740 0.002 0.000 0.184 494 N C 1.885 177.291 175.510 -0.173 0.000 1.018 494 N CA 1.017 54.037 53.050 -0.050 0.000 0.858 494 N CB -0.387 38.093 38.487 -0.012 0.000 0.989 494 N HN 0.172 nan 8.380 nan 0.000 0.426 495 V N 0.907 120.660 119.914 -0.268 0.000 2.307 495 V HA -0.127 3.994 4.120 0.002 0.000 0.245 495 V C 2.462 178.301 176.094 -0.424 0.000 1.045 495 V CA 2.026 64.133 62.300 -0.321 0.000 1.024 495 V CB -1.178 30.444 31.823 -0.334 0.000 0.651 495 V HN 0.318 nan 8.190 nan 0.000 0.449 496 G N -0.430 108.118 108.800 -0.421 0.000 2.442 496 G HA2 -0.243 3.718 3.960 0.002 0.000 0.219 496 G HA3 -0.243 3.718 3.960 0.002 0.000 0.219 496 G C 1.679 175.850 174.900 -1.216 0.000 1.141 496 G CA 0.866 45.372 45.100 -0.990 0.000 0.763 496 G HN 0.473 nan 8.290 nan 0.000 0.554 497 K N 0.437 120.412 120.400 -0.708 0.000 2.007 497 K HA 0.130 4.451 4.320 0.002 0.000 0.206 497 K C 3.028 179.403 176.600 -0.375 0.000 1.047 497 K CA 0.871 56.909 56.287 -0.416 0.000 0.937 497 K CB -0.272 32.143 32.500 -0.141 0.000 0.718 497 K HN 0.228 nan 8.250 nan 0.000 0.438 498 A N 1.961 124.584 122.820 -0.329 0.000 1.892 498 A HA -0.189 4.132 4.320 0.002 0.000 0.218 498 A C 1.905 179.266 177.584 -0.372 0.000 1.188 498 A CA 1.526 53.398 52.037 -0.275 0.000 0.631 498 A CB -0.387 18.488 19.000 -0.208 0.000 0.822 498 A HN 0.156 nan 8.150 nan 0.000 0.447 499 R N -0.953 119.185 120.500 -0.603 0.000 2.323 499 R HA 0.095 4.436 4.340 0.002 0.000 0.198 499 R C 1.348 177.170 176.300 -0.797 0.000 0.988 499 R CA 0.719 56.332 56.100 -0.812 0.000 1.041 499 R CB -1.169 28.247 30.300 -1.474 0.000 0.926 499 R HN 1.003 nan 8.270 nan 0.000 0.476 500 G N 0.868 109.303 108.800 -0.608 0.000 2.143 500 G HA2 -0.284 3.677 3.960 0.002 0.000 0.248 500 G HA3 -0.284 3.677 3.960 0.002 0.000 0.248 500 G C 0.500 175.230 174.900 -0.283 0.000 0.991 500 G CA 0.180 45.053 45.100 -0.378 0.000 0.689 500 G HN 0.254 nan 8.290 nan 0.000 0.522 501 F N -0.161 119.513 119.950 -0.461 0.000 2.234 501 F HA 0.347 4.875 4.527 0.002 0.000 0.299 501 F C 1.476 177.157 175.800 -0.197 0.000 1.087 501 F CA 0.971 58.742 58.000 -0.382 0.000 1.340 501 F CB -0.542 38.162 39.000 -0.494 0.000 1.031 501 F HN 0.469 nan 8.300 nan 0.000 0.500 502 F N -1.662 118.323 119.950 0.058 0.000 2.877 502 F HA 0.571 5.099 4.527 0.002 0.000 0.319 502 F C -0.861 174.925 175.800 -0.024 0.000 1.174 502 F CA -2.294 55.710 58.000 0.008 0.000 0.903 502 F CB 0.970 39.972 39.000 0.004 0.000 1.357 502 F HN -0.245 nan 8.300 nan 0.000 0.472 503 K N 0.280 120.894 120.400 0.357 0.000 2.430 503 K HA 0.449 4.770 4.320 0.002 0.000 0.268 503 K C -1.512 175.190 176.600 0.170 0.000 1.043 503 K CA -1.209 55.199 56.287 0.202 0.000 0.899 503 K CB 2.142 34.689 32.500 0.078 0.000 1.472 503 K HN 0.810 nan 8.250 nan 0.000 0.451 504 K N -0.238 120.219 120.400 0.096 0.000 2.489 504 K HA 0.080 4.401 4.320 0.002 0.000 0.278 504 K C 0.640 177.256 176.600 0.025 0.000 1.000 504 K CA 1.831 58.149 56.287 0.051 0.000 1.012 504 K CB -0.172 32.347 32.500 0.032 0.000 0.903 504 K HN 0.859 nan 8.250 nan 0.000 0.485 505 G N 2.879 111.679 108.800 0.000 0.000 2.241 505 G HA2 -0.212 3.749 3.960 0.002 0.000 0.244 505 G HA3 -0.212 3.749 3.960 0.002 0.000 0.244 505 G C -0.124 174.760 174.900 -0.027 0.000 0.998 505 G CA 0.237 45.330 45.100 -0.012 0.000 0.621 505 G HN 0.707 nan 8.290 nan 0.000 0.519 506 D N -0.097 120.285 120.400 -0.030 0.000 2.398 506 D HA 0.556 5.197 4.640 0.002 0.000 0.247 506 D C 0.625 176.849 176.300 -0.126 0.000 1.227 506 D CA 0.098 54.063 54.000 -0.059 0.000 0.980 506 D CB 1.452 42.233 40.800 -0.031 0.000 1.106 506 D HN 0.276 nan 8.370 nan 0.000 0.493 507 V N 0.398 120.225 119.914 -0.145 0.000 2.628 507 V HA 0.558 4.679 4.120 0.002 0.000 0.306 507 V C 0.081 176.029 176.094 -0.243 0.000 1.045 507 V CA -0.765 61.434 62.300 -0.169 0.000 0.905 507 V CB 1.713 33.469 31.823 -0.111 0.000 0.997 507 V HN 0.427 nan 8.190 nan 0.000 0.436 508 V N 1.962 121.714 119.914 -0.270 0.000 3.078 508 V HA 0.691 4.812 4.120 0.002 0.000 0.311 508 V C -0.889 175.087 176.094 -0.196 0.000 1.138 508 V CA -0.896 61.226 62.300 -0.296 0.000 1.007 508 V CB 2.367 33.910 31.823 -0.467 0.000 1.045 508 V HN 0.572 nan 8.190 nan 0.000 0.432 509 I N 2.410 122.880 120.570 -0.167 0.000 2.385 509 I HA 0.623 4.794 4.170 0.002 0.000 0.294 509 I C -0.175 175.879 176.117 -0.105 0.000 0.988 509 I CA -0.653 60.571 61.300 -0.126 0.000 1.265 509 I CB 1.440 39.367 38.000 -0.122 0.000 1.388 509 I HN 0.489 nan 8.210 nan 0.000 0.480 510 V N 6.983 126.846 119.914 -0.085 0.000 2.487 510 V HA 0.479 4.600 4.120 0.002 0.000 0.298 510 V C -0.107 175.957 176.094 -0.050 0.000 1.028 510 V CA -0.603 61.658 62.300 -0.064 0.000 0.860 510 V CB 2.478 34.263 31.823 -0.063 0.000 0.991 510 V HN 0.443 nan 8.190 nan 0.000 0.427 511 L N 5.429 126.631 121.223 -0.035 0.000 2.325 511 L HA 0.783 5.124 4.340 0.002 0.000 0.281 511 L C 0.315 177.185 176.870 0.001 0.000 1.004 511 L CA -0.046 54.780 54.840 -0.024 0.000 0.823 511 L CB 1.963 44.004 42.059 -0.031 0.000 1.236 511 L HN 0.937 nan 8.230 nan 0.000 0.415 512 T N -0.359 114.211 114.554 0.027 0.000 2.572 512 T HA 0.704 5.055 4.350 0.002 0.000 0.274 512 T C -0.117 174.681 174.700 0.164 0.000 0.949 512 T CA -0.392 61.760 62.100 0.087 0.000 1.126 512 T CB 1.592 70.495 68.868 0.059 0.000 1.478 512 T HN 0.505 nan 8.240 nan 0.000 0.492 513 G N -1.238 107.753 108.800 0.318 0.000 2.489 513 G HA2 0.471 4.432 3.960 0.002 0.000 0.327 513 G HA3 0.471 4.432 3.960 0.002 0.000 0.327 513 G C -0.256 174.918 174.900 0.455 0.000 1.189 513 G CA -0.636 44.694 45.100 0.384 0.000 0.962 513 G HN 0.646 nan 8.290 nan 0.000 0.486 514 W N 0.822 122.250 121.300 0.214 0.000 2.408 514 W HA 0.183 4.844 4.660 0.002 0.000 0.311 514 W C 0.474 177.100 176.519 0.179 0.000 1.190 514 W CA 0.746 58.194 57.345 0.172 0.000 1.321 514 W CB 0.105 29.638 29.460 0.122 0.000 1.143 514 W HN 0.247 nan 8.180 nan 0.000 0.501 515 R N -0.253 120.444 120.500 0.328 0.000 2.892 515 R HA 0.269 4.610 4.340 0.002 0.000 0.265 515 R C -1.366 174.682 176.300 -0.420 0.000 1.025 515 R CA -1.914 54.197 56.100 0.018 0.000 0.982 515 R CB 0.264 30.476 30.300 -0.147 0.000 1.185 515 R HN -0.092 nan 8.270 nan 0.000 0.484 516 P HA -0.096 nan 4.420 nan 0.000 0.202 516 P C 0.644 177.447 177.300 -0.828 0.000 1.027 516 P CA 0.647 62.872 63.100 -1.458 0.000 0.791 516 P CB -0.282 30.972 31.700 -0.743 0.000 0.612 517 G N -0.393 108.126 108.800 -0.468 0.000 2.894 517 G HA2 0.157 4.118 3.960 0.002 0.000 0.265 517 G HA3 0.157 4.118 3.960 0.002 0.000 0.265 517 G C 0.787 175.551 174.900 -0.227 0.000 0.735 517 G CA 0.538 45.465 45.100 -0.289 0.000 2.064 517 G HN 0.540 nan 8.290 nan 0.000 0.590 518 S N -0.986 114.571 115.700 -0.238 0.000 2.546 518 S HA 0.412 4.883 4.470 0.002 0.000 0.282 518 S C 1.099 175.640 174.600 -0.098 0.000 1.074 518 S CA 0.647 58.747 58.200 -0.167 0.000 1.254 518 S CB 0.070 63.161 63.200 -0.181 0.000 1.103 518 S HN 1.747 nan 8.310 nan 0.000 0.589 519 G N 1.710 110.453 108.800 -0.095 0.000 3.106 519 G HA2 0.041 4.002 3.960 0.002 0.000 0.352 519 G HA3 0.041 4.002 3.960 0.002 0.000 0.352 519 G C -0.817 174.237 174.900 0.257 0.000 0.563 519 G CA 0.096 45.216 45.100 0.034 0.000 0.945 519 G HN 1.137 nan 8.290 nan 0.000 0.470 520 F N 1.357 121.319 119.950 0.020 0.000 2.831 520 F HA 0.277 4.805 4.527 0.002 0.000 0.310 520 F C 0.244 176.104 175.800 0.100 0.000 0.977 520 F CA -0.414 57.619 58.000 0.055 0.000 1.181 520 F CB 0.650 39.684 39.000 0.056 0.000 1.460 520 F HN 0.480 nan 8.300 nan 0.000 0.723 521 T N 4.560 119.033 114.554 -0.135 0.000 3.579 521 T HA 0.189 4.540 4.350 0.002 0.000 0.328 521 T C 0.748 175.332 174.700 -0.194 0.000 1.481 521 T CA -0.160 61.890 62.100 -0.083 0.000 1.144 521 T CB -0.432 68.390 68.868 -0.077 0.000 1.205 521 T HN 0.512 nan 8.240 nan 0.000 0.812 522 N N 0.207 118.864 118.700 -0.071 0.000 2.197 522 N HA 0.036 4.777 4.740 0.002 0.000 0.228 522 N C -0.458 175.073 175.510 0.035 0.000 1.212 522 N CA -0.497 52.532 53.050 -0.037 0.000 0.883 522 N CB 0.670 39.243 38.487 0.143 0.000 1.107 522 N HN 0.167 nan 8.380 nan 0.000 0.519 523 T N 1.657 116.227 114.554 0.027 0.000 2.786 523 T HA 0.406 4.757 4.350 0.002 0.000 0.283 523 T C -0.628 174.051 174.700 -0.035 0.000 0.992 523 T CA -0.574 61.516 62.100 -0.017 0.000 0.954 523 T CB 1.731 70.596 68.868 -0.005 0.000 0.934 523 T HN 0.192 nan 8.240 nan 0.000 0.440 524 M N 4.189 123.754 119.600 -0.059 0.000 2.311 524 M HA 0.594 5.075 4.480 0.002 0.000 0.325 524 M C -1.312 174.945 176.300 -0.071 0.000 1.061 524 M CA -0.592 54.672 55.300 -0.060 0.000 0.957 524 M CB 1.400 33.966 32.600 -0.057 0.000 1.646 524 M HN 0.508 nan 8.290 nan 0.000 0.434 525 R N 2.951 123.409 120.500 -0.070 0.000 2.750 525 R HA 0.705 5.046 4.340 0.002 0.000 0.281 525 R C -1.498 174.755 176.300 -0.078 0.000 0.972 525 R CA -0.987 55.068 56.100 -0.074 0.000 0.912 525 R CB 2.644 32.901 30.300 -0.072 0.000 1.187 525 R HN 0.542 nan 8.270 nan 0.000 0.464 526 V N 3.319 123.187 119.914 -0.077 0.000 2.347 526 V HA 0.368 4.489 4.120 0.002 0.000 0.280 526 V C -0.132 175.911 176.094 -0.085 0.000 1.021 526 V CA -0.667 61.583 62.300 -0.084 0.000 0.847 526 V CB 1.319 33.099 31.823 -0.071 0.000 0.990 526 V HN 0.591 nan 8.190 nan 0.000 0.444 527 V N 4.420 124.272 119.914 -0.104 0.000 2.735 527 V HA 0.803 4.924 4.120 0.002 0.000 0.310 527 V C -2.689 173.332 176.094 -0.122 0.000 1.061 527 V CA -2.426 59.815 62.300 -0.100 0.000 0.913 527 V CB 2.556 34.323 31.823 -0.093 0.000 1.005 527 V HN 0.648 nan 8.190 nan 0.000 0.428 528 P HA 0.249 nan 4.420 nan 0.000 0.279 528 P C -0.235 176.998 177.300 -0.111 0.000 1.239 528 P CA -0.075 62.965 63.100 -0.100 0.000 0.789 528 P CB 1.547 33.208 31.700 -0.065 0.000 0.933 529 V N 5.588 125.422 119.914 -0.134 0.000 2.521 529 V HA 0.086 4.207 4.120 0.002 0.000 0.286 529 V C -1.602 174.472 176.094 -0.033 0.000 1.034 529 V CA -0.989 61.243 62.300 -0.115 0.000 1.045 529 V CB -0.109 31.639 31.823 -0.125 0.000 0.974 529 V HN 0.606 nan 8.190 nan 0.000 0.480 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.102 63.100 0.004 0.000 0.800 530 P CB 0.000 31.705 31.700 0.009 0.000 0.726