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 2aci_1_A DATA FIRST_RESID 6 DATA SEQUENCE TKLGVHSEAG KLRKVMVCSP GLAHQRLTPS NCDELLFDDV IWVNQAKRDH DATA SEQUENCE FDFVTKMRER GIDVLEMHNL LTETIQNPEA LKWILDRKIT ADSVGLGLTS DATA SEQUENCE ELRSWLESLE PRKLAEYLIG GVAADDLPAS EGANILKMYR EYLGHSSFLL DATA SEQUENCE PPLPNTQFTR ATTCWIYGGV TLNPMYWPAR RQETLLTTAI YKFHPEFANA DATA SEQUENCE EFEIWYGDPD KDHGSSTLEG GDVMPIGNGV VLIGMGERSS RQAIGQVAQS DATA SEQUENCE LFAKGAAERV IVAGLPKXXX AMHLDTVFSF CDRDLVTVFP EVVKEIVPFS DATA SEQUENCE LRPDPSSPYG MNIRREEKTF LEVVAESLGL KKLRVVETGX XXXXXXREQW DATA SEQUENCE DDGNNVVCLE PGVVVGYDRN TYTNTLLRKA GVEVITISAS ELGRGRGGGH DATA SEQUENCE CMTCPIVRDP ID 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.744 174.700 0.074 0.000 1.109 6 T CA 0.000 62.123 62.100 0.039 0.000 1.349 6 T CB 0.000 68.877 68.868 0.015 0.000 0.612 7 K N 1.757 122.199 120.400 0.070 0.000 2.292 7 K HA 0.687 5.007 4.320 -0.001 0.000 0.270 7 K C -0.354 176.307 176.600 0.101 0.000 1.062 7 K CA -0.883 55.470 56.287 0.109 0.000 0.916 7 K CB 0.775 33.337 32.500 0.104 0.000 1.166 7 K HN 0.524 nan 8.250 nan 0.000 0.458 8 L N 2.434 123.728 121.223 0.118 0.000 2.371 8 L HA 0.631 4.970 4.340 -0.001 0.000 0.272 8 L C 0.488 177.396 176.870 0.063 0.000 1.124 8 L CA -0.178 54.643 54.840 -0.032 0.000 0.816 8 L CB 1.164 43.110 42.059 -0.189 0.000 1.129 8 L HN 1.003 nan 8.230 nan 0.000 0.448 9 G N 1.477 110.235 108.800 -0.070 0.000 2.402 9 G HA2 0.396 4.355 3.960 -0.001 0.000 0.301 9 G HA3 0.396 4.355 3.960 -0.001 0.000 0.301 9 G C -1.920 172.798 174.900 -0.304 0.000 1.615 9 G CA -0.638 44.452 45.100 -0.017 0.000 0.889 9 G HN 0.294 nan 8.290 nan 0.000 0.647 10 V N 2.469 122.150 119.914 -0.389 0.000 2.384 10 V HA 0.491 4.610 4.120 -0.001 0.000 0.287 10 V C 0.161 175.882 176.094 -0.622 0.000 1.020 10 V CA -0.722 61.347 62.300 -0.385 0.000 0.850 10 V CB 1.470 33.213 31.823 -0.133 0.000 0.987 10 V HN 0.877 nan 8.190 nan 0.000 0.436 11 H N 2.167 121.284 119.070 0.078 0.000 2.755 11 H HA 0.372 4.928 4.556 -0.002 0.000 0.273 11 H C 0.797 176.175 175.328 0.084 0.000 1.055 11 H CA 0.670 56.839 56.048 0.201 0.000 1.191 11 H CB 1.445 31.370 29.762 0.272 0.000 1.536 11 H HN 0.653 nan 8.280 nan 0.000 0.529 12 S N -0.138 115.580 115.700 0.029 0.000 2.611 12 S HA 0.177 4.646 4.470 -0.001 0.000 0.268 12 S C -0.256 174.311 174.600 -0.054 0.000 1.156 12 S CA -0.664 57.523 58.200 -0.022 0.000 0.817 12 S CB 1.999 65.199 63.200 -0.001 0.000 1.122 12 S HN 0.008 nan 8.310 nan 0.000 0.466 13 E N 0.325 120.465 120.200 -0.100 0.000 2.481 13 E HA 0.335 4.684 4.350 -0.001 0.000 0.198 13 E C 1.072 177.661 176.600 -0.019 0.000 1.027 13 E CA 0.764 57.152 56.400 -0.020 0.000 0.900 13 E CB 1.085 30.808 29.700 0.038 0.000 0.993 13 E HN 0.648 nan 8.360 nan 0.000 0.482 14 A N 0.407 123.179 122.820 -0.079 0.000 2.498 14 A HA 0.378 4.697 4.320 -0.001 0.000 0.238 14 A C 1.236 178.808 177.584 -0.021 0.000 1.225 14 A CA 0.328 52.343 52.037 -0.038 0.000 0.978 14 A CB 0.303 19.260 19.000 -0.071 0.000 1.142 14 A HN 0.134 nan 8.150 nan 0.000 0.552 15 G N 0.154 108.943 108.800 -0.018 0.000 2.690 15 G HA2 0.301 4.260 3.960 -0.001 0.000 0.239 15 G HA3 0.301 4.260 3.960 -0.001 0.000 0.239 15 G C 0.069 174.969 174.900 -0.000 0.000 1.233 15 G CA -0.367 44.734 45.100 0.001 0.000 0.847 15 G HN 0.120 nan 8.290 nan 0.000 0.588 16 K N 0.381 120.781 120.400 0.000 0.000 2.395 16 K HA 0.011 4.330 4.320 -0.001 0.000 0.283 16 K C 0.147 176.737 176.600 -0.016 0.000 1.068 16 K CA -0.301 55.980 56.287 -0.009 0.000 1.039 16 K CB 0.191 32.685 32.500 -0.009 0.000 0.924 16 K HN 0.296 nan 8.250 nan 0.000 0.468 17 L N 5.134 126.340 121.223 -0.027 0.000 2.416 17 L HA 0.077 4.416 4.340 -0.001 0.000 0.272 17 L C 0.992 177.828 176.870 -0.057 0.000 1.161 17 L CA 0.920 55.733 54.840 -0.044 0.000 0.845 17 L CB 0.536 42.565 42.059 -0.050 0.000 1.119 17 L HN 0.661 nan 8.230 nan 0.000 0.464 18 R N 2.599 123.057 120.500 -0.071 0.000 2.470 18 R HA 0.250 4.589 4.340 -0.001 0.000 0.210 18 R C -0.301 175.939 176.300 -0.100 0.000 0.873 18 R CA -0.170 55.885 56.100 -0.076 0.000 1.015 18 R CB 0.602 30.866 30.300 -0.059 0.000 1.348 18 R HN 0.543 nan 8.270 nan 0.000 0.650 19 K N 1.703 122.029 120.400 -0.124 0.000 2.615 19 K HA 0.305 4.624 4.320 -0.001 0.000 0.249 19 K C -1.485 175.023 176.600 -0.154 0.000 0.977 19 K CA -0.503 55.697 56.287 -0.144 0.000 0.833 19 K CB 2.027 34.425 32.500 -0.171 0.000 1.208 19 K HN -0.061 nan 8.250 nan 0.000 0.443 20 V N 1.026 120.869 119.914 -0.118 0.000 2.876 20 V HA 0.613 4.732 4.120 -0.001 0.000 0.312 20 V C -0.548 175.520 176.094 -0.043 0.000 1.085 20 V CA -1.120 61.129 62.300 -0.086 0.000 0.945 20 V CB 1.766 33.539 31.823 -0.083 0.000 1.017 20 V HN 0.918 nan 8.190 nan 0.000 0.428 21 M N 4.279 123.887 119.600 0.014 0.000 2.363 21 M HA 0.825 5.304 4.480 -0.001 0.000 0.343 21 M C -0.720 175.616 176.300 0.060 0.000 1.165 21 M CA -0.531 54.802 55.300 0.056 0.000 1.046 21 M CB 1.639 34.314 32.600 0.126 0.000 1.648 21 M HN 1.024 nan 8.290 nan 0.000 0.452 22 V N 1.415 121.370 119.914 0.068 0.000 3.159 22 V HA 0.836 4.956 4.120 -0.001 0.000 0.308 22 V C -1.710 174.473 176.094 0.147 0.000 1.190 22 V CA -1.027 61.352 62.300 0.132 0.000 1.037 22 V CB 1.599 33.488 31.823 0.110 0.000 1.060 22 V HN 1.051 nan 8.190 nan 0.000 0.437 23 C N 2.833 122.253 119.300 0.201 0.000 2.599 23 C HA 0.792 5.251 4.460 -0.001 0.000 0.354 23 C C 0.279 175.219 174.990 -0.083 0.000 1.092 23 C CA 0.440 59.492 59.018 0.056 0.000 1.280 23 C CB 0.446 28.141 27.740 -0.074 0.000 1.829 23 C HN 1.749 nan 8.230 nan 0.000 0.454 24 S N 6.209 121.772 115.700 -0.228 0.000 2.592 24 S HA 0.638 5.107 4.470 -0.001 0.000 0.271 24 S C -2.615 171.748 174.600 -0.394 0.000 1.326 24 S CA -0.621 57.069 58.200 -0.852 0.000 1.024 24 S CB 0.677 63.641 63.200 -0.393 0.000 0.921 24 S HN 0.696 nan 8.310 nan 0.000 0.527 25 P HA 0.398 nan 4.420 nan 0.000 0.268 25 P C 0.461 177.517 177.300 -0.407 0.000 1.208 25 P CA 0.183 62.815 63.100 -0.779 0.000 0.777 25 P CB 0.425 31.651 31.700 -0.789 0.000 0.875 26 G N 0.320 108.966 108.800 -0.256 0.000 2.827 26 G HA2 0.182 4.141 3.960 -0.001 0.000 0.202 26 G HA3 0.182 4.141 3.960 -0.001 0.000 0.202 26 G C 0.088 174.988 174.900 0.000 0.000 1.185 26 G CA -0.445 44.590 45.100 -0.109 0.000 0.920 26 G HN 0.485 nan 8.290 nan 0.000 0.550 27 L N 1.189 122.405 121.223 -0.010 0.000 2.187 27 L HA 0.135 4.474 4.340 -0.001 0.000 0.213 27 L C 2.896 179.800 176.870 0.057 0.000 1.100 27 L CA 2.918 57.773 54.840 0.025 0.000 0.765 27 L CB -0.728 41.341 42.059 0.017 0.000 0.904 27 L HN 0.633 nan 8.230 nan 0.000 0.437 28 A N -0.733 122.143 122.820 0.092 0.000 1.892 28 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 28 A C 1.960 179.465 177.584 -0.132 0.000 1.188 28 A CA 2.140 54.160 52.037 -0.028 0.000 0.631 28 A CB -1.009 17.957 19.000 -0.057 0.000 0.822 28 A HN 0.697 nan 8.150 nan 0.000 0.447 29 H N -0.510 118.452 119.070 -0.180 0.000 2.548 29 H HA 0.127 4.682 4.556 -0.002 0.000 0.268 29 H C 1.898 177.180 175.328 -0.077 0.000 0.975 29 H CA 0.969 56.898 56.048 -0.199 0.000 1.195 29 H CB -0.121 29.508 29.762 -0.221 0.000 1.397 29 H HN 0.646 nan 8.280 nan 0.000 0.572 30 Q N 0.262 120.110 119.800 0.081 0.000 2.311 30 Q HA 0.028 4.367 4.340 -0.001 0.000 0.203 30 Q C 1.517 177.560 176.000 0.072 0.000 0.954 30 Q CA 0.591 56.440 55.803 0.076 0.000 0.885 30 Q CB 0.217 28.994 28.738 0.065 0.000 0.963 30 Q HN 0.435 nan 8.270 nan 0.000 0.471 31 R N 0.028 120.552 120.500 0.042 0.000 2.276 31 R HA 0.133 4.472 4.340 -0.001 0.000 0.196 31 R C 0.314 176.673 176.300 0.098 0.000 0.961 31 R CA -0.069 56.076 56.100 0.075 0.000 1.024 31 R CB 0.107 30.409 30.300 0.003 0.000 0.940 31 R HN 0.135 nan 8.270 nan 0.000 0.480 32 L N 0.978 122.227 121.223 0.043 0.000 2.514 32 L HA 0.017 4.356 4.340 -0.001 0.000 0.280 32 L C 0.413 177.340 176.870 0.096 0.000 1.223 32 L CA 0.772 55.649 54.840 0.060 0.000 0.864 32 L CB 0.638 42.718 42.059 0.034 0.000 1.118 32 L HN -0.019 nan 8.230 nan 0.000 0.494 33 T N 2.628 117.243 114.554 0.102 0.000 2.894 33 T HA 0.314 4.663 4.350 -0.001 0.000 0.309 33 T C -2.058 172.691 174.700 0.081 0.000 1.208 33 T CA -1.120 61.033 62.100 0.088 0.000 1.016 33 T CB 2.111 71.029 68.868 0.083 0.000 1.192 33 T HN 0.230 nan 8.240 nan 0.000 0.491 34 P HA -0.096 nan 4.420 nan 0.000 0.216 34 P C 1.313 178.644 177.300 0.051 0.000 1.150 34 P CA 1.151 64.286 63.100 0.058 0.000 0.843 34 P CB 0.222 31.948 31.700 0.043 0.000 0.787 35 S N 0.365 116.091 115.700 0.044 0.000 2.336 35 S HA -0.169 4.300 4.470 -0.001 0.000 0.214 35 S C 1.716 176.343 174.600 0.046 0.000 1.032 35 S CA 1.800 60.021 58.200 0.035 0.000 1.001 35 S CB -1.538 61.678 63.200 0.026 0.000 0.953 35 S HN 0.365 nan 8.310 nan 0.000 0.430 36 N N 2.036 120.773 118.700 0.063 0.000 2.453 36 N HA -0.107 4.632 4.740 -0.001 0.000 0.183 36 N C 1.757 177.324 175.510 0.096 0.000 1.041 36 N CA 1.317 54.419 53.050 0.087 0.000 0.900 36 N CB -1.320 37.252 38.487 0.142 0.000 0.961 36 N HN 0.665 nan 8.380 nan 0.000 0.443 37 C N -1.703 117.657 119.300 0.100 0.000 2.422 37 C HA 0.013 4.473 4.460 -0.001 0.000 0.279 37 C C 1.994 177.047 174.990 0.105 0.000 1.305 37 C CA 0.389 59.484 59.018 0.129 0.000 1.757 37 C CB -0.877 26.966 27.740 0.172 0.000 1.962 37 C HN 0.305 nan 8.230 nan 0.000 0.499 38 D N 1.431 121.866 120.400 0.057 0.000 2.194 38 D HA -0.082 4.557 4.640 -0.001 0.000 0.204 38 D C 2.120 178.399 176.300 -0.036 0.000 0.964 38 D CA 1.780 55.786 54.000 0.009 0.000 0.846 38 D CB -0.327 40.473 40.800 -0.001 0.000 0.962 38 D HN 0.865 nan 8.370 nan 0.000 0.490 39 E N 0.065 120.258 120.200 -0.013 0.000 2.511 39 E HA -0.082 4.267 4.350 -0.001 0.000 0.196 39 E C 1.227 177.815 176.600 -0.020 0.000 1.066 39 E CA 0.504 56.883 56.400 -0.034 0.000 0.871 39 E CB 0.012 29.711 29.700 -0.002 0.000 0.863 39 E HN 0.045 nan 8.360 nan 0.000 0.520 40 L N 0.442 121.673 121.223 0.014 0.000 2.910 40 L HA 0.389 4.728 4.340 -0.001 0.000 0.252 40 L C 0.062 176.956 176.870 0.040 0.000 1.195 40 L CA -0.152 54.710 54.840 0.037 0.000 1.003 40 L CB -0.221 41.880 42.059 0.071 0.000 1.328 40 L HN 0.269 nan 8.230 nan 0.000 0.540 41 L N -1.066 120.139 121.223 -0.030 0.000 3.839 41 L HA -0.284 4.055 4.340 -0.001 0.000 0.416 41 L C -0.362 176.598 176.870 0.149 0.000 1.195 41 L CA 0.568 55.387 54.840 -0.036 0.000 0.946 41 L CB -1.714 40.286 42.059 -0.099 0.000 1.891 41 L HN 0.146 nan 8.230 nan 0.000 0.963 42 F N 0.102 120.050 119.950 -0.003 0.000 2.507 42 F HA 0.269 4.796 4.527 -0.001 0.000 0.328 42 F C 1.300 177.134 175.800 0.056 0.000 1.136 42 F CA -0.574 57.455 58.000 0.049 0.000 0.930 42 F CB 1.021 40.033 39.000 0.021 0.000 1.166 42 F HN 0.024 nan 8.300 nan 0.000 0.436 43 D N 2.398 122.623 120.400 -0.291 0.000 2.865 43 D HA -0.281 4.358 4.640 -0.001 0.000 0.271 43 D C -0.099 176.198 176.300 -0.005 0.000 1.158 43 D CA 2.029 55.921 54.000 -0.181 0.000 1.048 43 D CB 0.115 40.729 40.800 -0.311 0.000 1.380 43 D HN 0.526 nan 8.370 nan 0.000 0.520 44 D N -1.579 118.854 120.400 0.056 0.000 2.552 44 D HA 0.262 4.901 4.640 -0.001 0.000 0.239 44 D C -1.071 175.402 176.300 0.288 0.000 1.139 44 D CA -0.583 53.505 54.000 0.147 0.000 0.914 44 D CB 2.270 43.126 40.800 0.092 0.000 1.461 44 D HN -0.118 nan 8.370 nan 0.000 0.462 45 V N 2.889 122.936 119.914 0.221 0.000 2.521 45 V HA 0.199 4.319 4.120 -0.001 0.000 0.286 45 V C 0.742 176.975 176.094 0.232 0.000 1.034 45 V CA -0.010 62.424 62.300 0.223 0.000 1.045 45 V CB 0.124 32.035 31.823 0.147 0.000 0.974 45 V HN 0.338 nan 8.190 nan 0.000 0.480 46 I N 1.306 122.041 120.570 0.276 0.000 2.982 46 I HA 0.552 4.721 4.170 -0.001 0.000 0.312 46 I C -0.646 175.648 176.117 0.296 0.000 1.041 46 I CA -0.989 60.477 61.300 0.277 0.000 1.053 46 I CB 1.637 39.817 38.000 0.301 0.000 1.248 46 I HN 0.635 nan 8.210 nan 0.000 0.471 47 W N 4.785 126.128 121.300 0.071 0.000 2.365 47 W HA 0.419 5.078 4.660 -0.001 0.000 0.371 47 W C 0.410 176.945 176.519 0.025 0.000 1.006 47 W CA -1.150 56.221 57.345 0.043 0.000 1.528 47 W CB -0.073 29.408 29.460 0.034 0.000 1.497 47 W HN 0.454 nan 8.180 nan 0.000 0.367 48 V N 4.848 124.880 119.914 0.197 0.000 2.282 48 V HA -0.419 3.700 4.120 -0.001 0.000 0.249 48 V C 2.305 178.281 176.094 -0.196 0.000 1.057 48 V CA 2.360 64.648 62.300 -0.020 0.000 1.032 48 V CB -0.701 31.126 31.823 0.007 0.000 0.645 48 V HN 0.516 nan 8.190 nan 0.000 0.447 49 N N -0.157 118.387 118.700 -0.260 0.000 2.205 49 N HA -0.202 4.537 4.740 -0.001 0.000 0.186 49 N C 1.916 177.092 175.510 -0.557 0.000 1.015 49 N CA 1.615 54.452 53.050 -0.355 0.000 0.862 49 N CB -0.349 37.996 38.487 -0.236 0.000 0.986 49 N HN 0.585 nan 8.380 nan 0.000 0.429 50 Q N 0.844 120.037 119.800 -1.011 0.000 2.049 50 Q HA 0.154 4.493 4.340 -0.001 0.000 0.198 50 Q C 1.838 177.606 176.000 -0.386 0.000 0.971 50 Q CA 1.592 56.866 55.803 -0.882 0.000 0.833 50 Q CB -0.550 27.408 28.738 -1.300 0.000 0.896 50 Q HN 0.290 nan 8.270 nan 0.000 0.434 51 A N 0.578 123.231 122.820 -0.279 0.000 1.978 51 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 51 A C 1.968 179.501 177.584 -0.085 0.000 1.170 51 A CA 1.647 53.613 52.037 -0.117 0.000 0.636 51 A CB -0.446 18.500 19.000 -0.089 0.000 0.810 51 A HN 0.377 nan 8.150 nan 0.000 0.448 52 K N -0.850 119.463 120.400 -0.145 0.000 2.211 52 K HA -0.056 4.263 4.320 -0.001 0.000 0.203 52 K C 2.261 178.878 176.600 0.027 0.000 1.050 52 K CA 1.038 57.274 56.287 -0.084 0.000 0.945 52 K CB -0.092 32.324 32.500 -0.140 0.000 0.732 52 K HN 0.426 nan 8.250 nan 0.000 0.451 53 R N 0.623 121.097 120.500 -0.043 0.000 2.062 53 R HA -0.058 4.281 4.340 -0.001 0.000 0.226 53 R C 1.615 177.986 176.300 0.118 0.000 1.125 53 R CA 1.279 57.383 56.100 0.007 0.000 0.966 53 R CB -0.044 30.191 30.300 -0.108 0.000 0.861 53 R HN 0.198 nan 8.270 nan 0.000 0.433 54 D N -0.283 120.161 120.400 0.074 0.000 2.219 54 D HA -0.169 4.470 4.640 -0.001 0.000 0.205 54 D C 1.722 178.148 176.300 0.210 0.000 0.970 54 D CA 0.991 55.062 54.000 0.117 0.000 0.851 54 D CB -0.298 40.544 40.800 0.070 0.000 0.943 54 D HN 0.366 nan 8.370 nan 0.000 0.488 55 H N 0.137 119.282 119.070 0.124 0.000 2.293 55 H HA -0.147 4.409 4.556 -0.001 0.000 0.300 55 H C 2.011 177.470 175.328 0.219 0.000 1.082 55 H CA 1.116 57.272 56.048 0.181 0.000 1.308 55 H CB -0.370 29.462 29.762 0.116 0.000 1.375 55 H HN 0.092 nan 8.280 nan 0.000 0.495 56 F N 1.884 121.939 119.950 0.176 0.000 2.202 56 F HA -0.218 4.309 4.527 -0.001 0.000 0.301 56 F C 2.287 178.105 175.800 0.030 0.000 1.082 56 F CA 2.110 60.156 58.000 0.075 0.000 1.313 56 F CB -0.404 38.626 39.000 0.050 0.000 1.024 56 F HN 0.292 nan 8.300 nan 0.000 0.495 57 D N -0.615 119.909 120.400 0.207 0.000 2.144 57 D HA -0.265 4.374 4.640 -0.001 0.000 0.200 57 D C 2.120 178.439 176.300 0.032 0.000 0.978 57 D CA 1.394 55.460 54.000 0.111 0.000 0.833 57 D CB -0.498 40.395 40.800 0.155 0.000 0.961 57 D HN 0.299 nan 8.370 nan 0.000 0.470 58 F N 0.817 120.701 119.950 -0.111 0.000 2.084 58 F HA -0.086 4.440 4.527 -0.002 0.000 0.296 58 F C 2.086 177.751 175.800 -0.226 0.000 1.111 58 F CA 1.037 58.950 58.000 -0.145 0.000 1.224 58 F CB -0.763 38.148 39.000 -0.149 0.000 0.991 58 F HN -0.089 nan 8.300 nan 0.000 0.471 59 V N 0.295 119.924 119.914 -0.475 0.000 2.380 59 V HA -0.356 3.763 4.120 -0.001 0.000 0.251 59 V C 2.306 178.092 176.094 -0.513 0.000 1.063 59 V CA 2.453 64.399 62.300 -0.590 0.000 1.055 59 V CB -1.368 30.186 31.823 -0.449 0.000 0.657 59 V HN 0.473 nan 8.190 nan 0.000 0.455 60 T N -0.979 113.266 114.554 -0.515 0.000 2.857 60 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 60 T C 1.946 176.488 174.700 -0.264 0.000 1.048 60 T CA 1.259 63.101 62.100 -0.431 0.000 1.139 60 T CB -0.202 68.397 68.868 -0.449 0.000 0.874 60 T HN 0.306 nan 8.240 nan 0.000 0.455 61 K N 0.521 120.791 120.400 -0.216 0.000 2.360 61 K HA 0.161 4.480 4.320 -0.001 0.000 0.201 61 K C 2.030 178.525 176.600 -0.176 0.000 1.046 61 K CA 0.920 57.125 56.287 -0.137 0.000 0.945 61 K CB -0.096 32.378 32.500 -0.043 0.000 0.750 61 K HN 0.366 nan 8.250 nan 0.000 0.464 62 M N -1.331 118.098 119.600 -0.286 0.000 2.552 62 M HA 0.033 4.512 4.480 -0.001 0.000 0.264 62 M C 1.711 177.886 176.300 -0.208 0.000 1.159 62 M CA 0.858 55.997 55.300 -0.269 0.000 1.176 62 M CB 0.135 32.491 32.600 -0.406 0.000 1.327 62 M HN -0.053 nan 8.290 nan 0.000 0.481 63 R N 1.133 121.499 120.500 -0.223 0.000 2.189 63 R HA -0.132 4.207 4.340 -0.001 0.000 0.223 63 R C 1.693 177.918 176.300 -0.126 0.000 1.092 63 R CA 1.301 57.298 56.100 -0.171 0.000 0.989 63 R CB -0.182 30.007 30.300 -0.185 0.000 0.876 63 R HN 0.557 nan 8.270 nan 0.000 0.457 64 E N -0.108 120.020 120.200 -0.121 0.000 2.474 64 E HA -0.008 4.341 4.350 -0.001 0.000 0.194 64 E C 0.891 177.449 176.600 -0.070 0.000 1.041 64 E CA 0.080 56.430 56.400 -0.084 0.000 0.874 64 E CB 0.339 29.996 29.700 -0.072 0.000 0.914 64 E HN 0.042 nan 8.360 nan 0.000 0.498 65 R N 0.489 120.941 120.500 -0.081 0.000 2.388 65 R HA 0.183 4.522 4.340 -0.001 0.000 0.247 65 R C 1.077 177.338 176.300 -0.065 0.000 0.931 65 R CA 0.460 56.521 56.100 -0.064 0.000 1.082 65 R CB 0.381 30.642 30.300 -0.065 0.000 1.135 65 R HN 0.398 nan 8.270 nan 0.000 0.525 66 G N 1.285 110.041 108.800 -0.073 0.000 2.159 66 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.256 66 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.256 66 G C 0.286 175.139 174.900 -0.078 0.000 0.977 66 G CA -0.066 44.993 45.100 -0.068 0.000 0.652 66 G HN 0.310 nan 8.290 nan 0.000 0.531 67 I N 1.277 121.789 120.570 -0.097 0.000 2.634 67 I HA 0.243 4.413 4.170 -0.001 0.000 0.284 67 I C 0.481 176.529 176.117 -0.114 0.000 1.124 67 I CA -0.263 60.973 61.300 -0.106 0.000 1.417 67 I CB 0.729 38.651 38.000 -0.131 0.000 1.396 67 I HN 0.157 nan 8.210 nan 0.000 0.571 68 D N 6.136 126.472 120.400 -0.106 0.000 2.249 68 D HA 0.331 4.970 4.640 -0.001 0.000 0.246 68 D C -0.979 175.250 176.300 -0.118 0.000 1.114 68 D CA -0.161 53.777 54.000 -0.104 0.000 0.854 68 D CB 1.230 41.974 40.800 -0.094 0.000 1.132 68 D HN 0.093 nan 8.370 nan 0.000 0.461 69 V N 5.045 124.886 119.914 -0.122 0.000 2.448 69 V HA 0.369 4.488 4.120 -0.001 0.000 0.295 69 V C 0.040 176.082 176.094 -0.088 0.000 1.025 69 V CA -0.840 61.384 62.300 -0.127 0.000 0.859 69 V CB 1.360 33.074 31.823 -0.182 0.000 0.988 69 V HN 0.487 nan 8.190 nan 0.000 0.431 70 L N 3.827 125.012 121.223 -0.062 0.000 2.307 70 L HA 0.713 5.053 4.340 -0.001 0.000 0.284 70 L C -0.191 176.679 176.870 -0.001 0.000 1.023 70 L CA -0.603 54.215 54.840 -0.037 0.000 0.810 70 L CB 1.887 43.925 42.059 -0.036 0.000 1.231 70 L HN 0.722 nan 8.230 nan 0.000 0.423 71 E N 2.777 122.988 120.200 0.019 0.000 2.179 71 E HA 0.243 4.592 4.350 -0.001 0.000 0.275 71 E C 0.511 177.129 176.600 0.031 0.000 0.945 71 E CA -0.550 55.887 56.400 0.061 0.000 0.792 71 E CB 1.767 31.536 29.700 0.116 0.000 1.125 71 E HN 0.635 nan 8.360 nan 0.000 0.397 72 M N 3.394 122.985 119.600 -0.015 0.000 2.108 72 M HA -0.205 4.274 4.480 -0.001 0.000 0.261 72 M C 0.921 177.166 176.300 -0.092 0.000 1.066 72 M CA 1.957 57.203 55.300 -0.090 0.000 1.107 72 M CB -0.248 32.245 32.600 -0.178 0.000 1.356 72 M HN 0.855 nan 8.290 nan 0.000 0.406 73 H N 0.037 119.113 119.070 0.009 0.000 2.352 73 H HA -0.124 4.431 4.556 -0.001 0.000 0.299 73 H C 1.893 177.227 175.328 0.010 0.000 1.097 73 H CA 1.998 58.045 56.048 -0.000 0.000 1.311 73 H CB -0.223 29.529 29.762 -0.017 0.000 1.377 73 H HN 0.488 nan 8.280 nan 0.000 0.504 74 N N 0.534 119.317 118.700 0.139 0.000 2.062 74 N HA -0.118 4.621 4.740 -0.001 0.000 0.191 74 N C 2.064 177.629 175.510 0.093 0.000 1.042 74 N CA 0.800 53.907 53.050 0.095 0.000 0.845 74 N CB -0.562 37.970 38.487 0.076 0.000 1.024 74 N HN 0.254 nan 8.380 nan 0.000 0.424 75 L N 1.146 122.401 121.223 0.052 0.000 1.997 75 L HA -0.221 4.118 4.340 -0.001 0.000 0.216 75 L C 2.498 179.440 176.870 0.119 0.000 1.074 75 L CA 1.150 56.003 54.840 0.021 0.000 0.763 75 L CB -0.564 41.449 42.059 -0.075 0.000 0.890 75 L HN 0.196 nan 8.230 nan 0.000 0.434 76 L N -0.903 120.363 121.223 0.072 0.000 1.944 76 L HA -0.298 4.041 4.340 -0.001 0.000 0.218 76 L C 2.598 179.526 176.870 0.095 0.000 1.075 76 L CA 2.202 57.090 54.840 0.081 0.000 0.767 76 L CB -0.578 41.508 42.059 0.045 0.000 0.890 76 L HN 0.358 nan 8.230 nan 0.000 0.434 77 T N -0.281 114.321 114.554 0.079 0.000 2.527 77 T HA -0.364 3.986 4.350 -0.001 0.000 0.258 77 T C 1.536 176.272 174.700 0.061 0.000 1.175 77 T CA 2.343 64.478 62.100 0.057 0.000 1.168 77 T CB -0.638 68.261 68.868 0.051 0.000 0.860 77 T HN 0.459 nan 8.240 nan 0.000 0.429 78 E N 0.219 120.476 120.200 0.096 0.000 2.118 78 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 78 E C 2.501 179.146 176.600 0.075 0.000 0.992 78 E CA 1.470 57.918 56.400 0.079 0.000 0.804 78 E CB -0.354 29.420 29.700 0.124 0.000 0.741 78 E HN 0.454 nan 8.360 nan 0.000 0.458 79 T N 1.894 116.549 114.554 0.168 0.000 2.674 79 T HA -0.119 4.230 4.350 -0.001 0.000 0.265 79 T C 2.001 176.724 174.700 0.039 0.000 1.039 79 T CA 1.359 63.553 62.100 0.156 0.000 1.150 79 T CB -0.266 68.742 68.868 0.233 0.000 0.864 79 T HN 0.354 nan 8.240 nan 0.000 0.427 80 I N -0.149 120.436 120.570 0.026 0.000 3.334 80 I HA 0.052 4.221 4.170 -0.001 0.000 0.282 80 I C 1.608 177.703 176.117 -0.037 0.000 1.313 80 I CA 0.897 62.184 61.300 -0.021 0.000 1.396 80 I CB -0.563 37.435 38.000 -0.003 0.000 1.054 80 I HN 0.185 nan 8.210 nan 0.000 0.495 81 Q N 1.640 121.426 119.800 -0.024 0.000 2.466 81 Q HA 0.086 4.425 4.340 -0.001 0.000 0.210 81 Q C 0.191 176.166 176.000 -0.042 0.000 0.961 81 Q CA 0.046 55.831 55.803 -0.030 0.000 0.953 81 Q CB -0.234 28.491 28.738 -0.022 0.000 1.011 81 Q HN 0.498 nan 8.270 nan 0.000 0.516 82 N N 0.933 119.596 118.700 -0.062 0.000 2.469 82 N HA 0.120 4.859 4.740 -0.001 0.000 0.253 82 N C -2.276 173.166 175.510 -0.114 0.000 0.970 82 N CA -2.044 50.960 53.050 -0.077 0.000 0.940 82 N CB 1.663 40.100 38.487 -0.083 0.000 1.128 82 N HN -0.201 nan 8.380 nan 0.000 0.503 83 P HA -0.166 nan 4.420 nan 0.000 0.217 83 P C 0.841 178.084 177.300 -0.095 0.000 1.148 83 P CA 1.282 64.344 63.100 -0.065 0.000 0.834 83 P CB 0.596 32.277 31.700 -0.032 0.000 0.783 84 E N -0.674 119.448 120.200 -0.130 0.000 2.006 84 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 84 E C 2.173 178.504 176.600 -0.449 0.000 0.993 84 E CA 1.163 57.462 56.400 -0.169 0.000 0.808 84 E CB -0.678 28.986 29.700 -0.059 0.000 0.764 84 E HN 0.034 nan 8.360 nan 0.000 0.449 85 A N 1.019 123.242 122.820 -0.996 0.000 1.896 85 A HA -0.259 4.060 4.320 -0.001 0.000 0.220 85 A C 2.208 179.555 177.584 -0.395 0.000 1.206 85 A CA 1.869 53.091 52.037 -1.358 0.000 0.647 85 A CB -0.959 17.507 19.000 -0.891 0.000 0.828 85 A HN 0.367 nan 8.150 nan 0.000 0.455 86 L N -0.300 120.792 121.223 -0.218 0.000 2.083 86 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 86 L C 2.372 179.236 176.870 -0.009 0.000 1.083 86 L CA 2.642 57.443 54.840 -0.065 0.000 0.752 86 L CB -0.364 41.663 42.059 -0.053 0.000 0.899 86 L HN 0.506 nan 8.230 nan 0.000 0.433 87 K N -1.500 118.889 120.400 -0.019 0.000 2.057 87 K HA -0.263 4.056 4.320 -0.001 0.000 0.206 87 K C 2.132 178.784 176.600 0.087 0.000 1.050 87 K CA 1.691 57.994 56.287 0.027 0.000 0.935 87 K CB -0.562 31.957 32.500 0.031 0.000 0.715 87 K HN 0.474 nan 8.250 nan 0.000 0.439 88 W N 1.626 122.885 121.300 -0.068 0.000 2.342 88 W HA -0.170 4.489 4.660 -0.002 0.000 0.297 88 W C 1.517 178.070 176.519 0.055 0.000 1.213 88 W CA 1.622 58.997 57.345 0.049 0.000 1.251 88 W CB -0.025 29.553 29.460 0.196 0.000 1.136 88 W HN 0.024 nan 8.180 nan 0.000 0.526 89 I N -0.241 120.492 120.570 0.272 0.000 2.193 89 I HA -0.300 3.869 4.170 -0.001 0.000 0.240 89 I C 2.384 178.479 176.117 -0.036 0.000 1.084 89 I CA 1.102 62.473 61.300 0.118 0.000 1.365 89 I CB -0.846 37.273 38.000 0.199 0.000 1.064 89 I HN -0.060 nan 8.210 nan 0.000 0.410 90 L N 0.464 121.687 121.223 0.001 0.000 2.083 90 L HA -0.238 4.101 4.340 -0.001 0.000 0.209 90 L C 2.068 178.911 176.870 -0.044 0.000 1.083 90 L CA 1.224 56.057 54.840 -0.012 0.000 0.752 90 L CB -0.736 41.327 42.059 0.007 0.000 0.899 90 L HN 0.287 nan 8.230 nan 0.000 0.433 91 D N -0.151 120.206 120.400 -0.070 0.000 2.221 91 D HA -0.146 4.493 4.640 -0.001 0.000 0.204 91 D C 2.306 178.530 176.300 -0.127 0.000 0.982 91 D CA 1.063 55.012 54.000 -0.085 0.000 0.857 91 D CB 0.034 40.774 40.800 -0.099 0.000 0.934 91 D HN 0.369 nan 8.370 nan 0.000 0.475 92 R N 0.225 120.611 120.500 -0.190 0.000 2.074 92 R HA 0.132 4.472 4.340 -0.001 0.000 0.218 92 R C 2.262 178.494 176.300 -0.113 0.000 1.137 92 R CA 0.297 56.273 56.100 -0.208 0.000 0.998 92 R CB 0.124 30.200 30.300 -0.374 0.000 0.895 92 R HN 0.035 nan 8.270 nan 0.000 0.442 93 K N 0.787 121.139 120.400 -0.080 0.000 2.026 93 K HA -0.042 4.278 4.320 -0.001 0.000 0.208 93 K C 0.589 177.185 176.600 -0.007 0.000 1.048 93 K CA 1.032 57.304 56.287 -0.026 0.000 0.929 93 K CB -0.045 32.457 32.500 0.004 0.000 0.713 93 K HN 0.081 nan 8.250 nan 0.000 0.439 94 I N 2.340 122.907 120.570 -0.005 0.000 2.282 94 I HA 0.023 4.193 4.170 -0.001 0.000 0.290 94 I C 0.300 176.415 176.117 -0.002 0.000 1.090 94 I CA -0.352 60.954 61.300 0.010 0.000 1.231 94 I CB 1.033 39.050 38.000 0.028 0.000 1.434 94 I HN 0.128 nan 8.210 nan 0.000 0.487 95 T N 1.504 116.056 114.554 -0.003 0.000 2.858 95 T HA 0.700 5.049 4.350 -0.001 0.000 0.285 95 T C 0.946 175.649 174.700 0.004 0.000 1.052 95 T CA -0.165 61.931 62.100 -0.007 0.000 1.009 95 T CB 1.758 70.616 68.868 -0.018 0.000 1.241 95 T HN 0.290 nan 8.240 nan 0.000 0.542 96 A N 0.281 123.103 122.820 0.003 0.000 1.929 96 A HA 0.056 4.376 4.320 -0.001 0.000 0.216 96 A C 1.906 179.497 177.584 0.012 0.000 1.176 96 A CA 1.386 53.428 52.037 0.008 0.000 0.628 96 A CB -1.018 17.985 19.000 0.006 0.000 0.816 96 A HN 0.879 nan 8.150 nan 0.000 0.444 97 D N 0.346 120.750 120.400 0.007 0.000 2.144 97 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 97 D C 2.463 178.774 176.300 0.018 0.000 0.978 97 D CA 1.743 55.750 54.000 0.010 0.000 0.833 97 D CB -0.222 40.581 40.800 0.004 0.000 0.961 97 D HN 0.594 nan 8.370 nan 0.000 0.470 98 S N 0.175 115.885 115.700 0.017 0.000 2.335 98 S HA -0.081 4.389 4.470 -0.001 0.000 0.217 98 S C 2.237 176.861 174.600 0.039 0.000 1.032 98 S CA 0.981 59.198 58.200 0.027 0.000 0.985 98 S CB -0.616 62.596 63.200 0.021 0.000 0.896 98 S HN 0.083 nan 8.310 nan 0.000 0.445 99 V N 1.272 121.207 119.914 0.035 0.000 2.426 99 V HA 0.453 4.572 4.120 -0.001 0.000 0.242 99 V C 1.343 177.460 176.094 0.039 0.000 1.036 99 V CA 0.854 63.179 62.300 0.041 0.000 1.044 99 V CB -1.025 30.819 31.823 0.035 0.000 0.688 99 V HN 0.985 nan 8.190 nan 0.000 0.462 100 G N 0.190 109.009 108.800 0.032 0.000 2.957 100 G HA2 0.034 3.993 3.960 -0.001 0.000 0.636 100 G HA3 0.034 3.993 3.960 -0.001 0.000 0.636 100 G C -0.147 174.765 174.900 0.021 0.000 1.401 100 G CA -0.320 44.800 45.100 0.033 0.000 0.941 100 G HN 0.481 nan 8.290 nan 0.000 0.610 101 L N 0.977 122.212 121.223 0.019 0.000 2.123 101 L HA 0.047 4.386 4.340 -0.001 0.000 0.217 101 L C 2.263 179.138 176.870 0.008 0.000 1.081 101 L CA 3.381 58.228 54.840 0.013 0.000 0.772 101 L CB -1.038 41.028 42.059 0.012 0.000 0.890 101 L HN 1.076 nan 8.230 nan 0.000 0.437 102 G N -0.808 107.996 108.800 0.005 0.000 2.603 102 G HA2 0.130 4.089 3.960 -0.001 0.000 0.214 102 G HA3 0.130 4.089 3.960 -0.001 0.000 0.214 102 G C 1.504 176.400 174.900 -0.007 0.000 1.140 102 G CA 0.479 45.577 45.100 -0.003 0.000 0.800 102 G HN 0.440 nan 8.290 nan 0.000 0.533 103 L N 1.395 122.615 121.223 -0.005 0.000 2.270 103 L HA 0.007 4.346 4.340 -0.001 0.000 0.210 103 L C 3.238 180.113 176.870 0.008 0.000 1.104 103 L CA 1.299 56.134 54.840 -0.008 0.000 0.804 103 L CB -0.855 41.198 42.059 -0.010 0.000 0.937 103 L HN 0.303 nan 8.230 nan 0.000 0.450 104 T N -2.555 112.007 114.554 0.014 0.000 2.649 104 T HA -0.275 4.074 4.350 -0.001 0.000 0.268 104 T C 1.969 176.687 174.700 0.029 0.000 1.036 104 T CA 2.021 64.134 62.100 0.022 0.000 1.157 104 T CB -0.720 68.158 68.868 0.016 0.000 0.861 104 T HN 0.296 nan 8.240 nan 0.000 0.445 105 S N 1.890 117.603 115.700 0.022 0.000 2.335 105 S HA -0.099 4.370 4.470 -0.001 0.000 0.216 105 S C 2.092 176.717 174.600 0.041 0.000 1.032 105 S CA 1.344 59.560 58.200 0.027 0.000 1.000 105 S CB -0.461 62.750 63.200 0.017 0.000 0.928 105 S HN 0.721 nan 8.310 nan 0.000 0.434 106 E N 1.523 121.740 120.200 0.028 0.000 2.021 106 E HA -0.180 4.169 4.350 -0.001 0.000 0.200 106 E C 2.137 178.787 176.600 0.084 0.000 1.015 106 E CA 1.145 57.564 56.400 0.031 0.000 0.824 106 E CB -0.490 29.198 29.700 -0.020 0.000 0.762 106 E HN 0.271 nan 8.360 nan 0.000 0.454 107 L N 1.021 122.287 121.223 0.071 0.000 2.081 107 L HA -0.243 4.096 4.340 -0.001 0.000 0.212 107 L C 2.633 179.635 176.870 0.221 0.000 1.080 107 L CA 1.752 56.679 54.840 0.145 0.000 0.754 107 L CB -0.224 41.886 42.059 0.085 0.000 0.893 107 L HN 0.098 nan 8.230 nan 0.000 0.433 108 R N -1.091 119.490 120.500 0.134 0.000 2.080 108 R HA -0.088 4.251 4.340 -0.001 0.000 0.222 108 R C 2.426 178.793 176.300 0.111 0.000 1.107 108 R CA 1.320 57.484 56.100 0.107 0.000 0.980 108 R CB -0.089 30.248 30.300 0.062 0.000 0.879 108 R HN 0.208 nan 8.270 nan 0.000 0.439 109 S N 0.182 115.953 115.700 0.118 0.000 2.359 109 S HA -0.208 4.261 4.470 -0.001 0.000 0.223 109 S C 1.234 175.932 174.600 0.164 0.000 1.039 109 S CA 1.591 59.858 58.200 0.113 0.000 1.042 109 S CB -0.431 62.830 63.200 0.103 0.000 0.915 109 S HN 0.593 nan 8.310 nan 0.000 0.439 110 W N 2.117 123.419 121.300 0.004 0.000 2.354 110 W HA -0.069 4.590 4.660 -0.001 0.000 0.315 110 W C 1.703 178.239 176.519 0.027 0.000 1.206 110 W CA 1.157 58.509 57.345 0.010 0.000 1.290 110 W CB -0.746 28.711 29.460 -0.005 0.000 1.152 110 W HN 0.201 nan 8.180 nan 0.000 0.489 111 L N 0.659 121.866 121.223 -0.026 0.000 2.079 111 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 111 L C 2.294 179.048 176.870 -0.193 0.000 1.081 111 L CA 1.831 56.490 54.840 -0.302 0.000 0.752 111 L CB -0.855 41.167 42.059 -0.062 0.000 0.896 111 L HN 0.107 nan 8.230 nan 0.000 0.433 112 E N -0.622 119.535 120.200 -0.071 0.000 2.482 112 E HA -0.108 4.241 4.350 -0.001 0.000 0.196 112 E C 1.833 178.397 176.600 -0.060 0.000 1.047 112 E CA 0.964 57.335 56.400 -0.049 0.000 0.869 112 E CB 0.123 29.819 29.700 -0.006 0.000 0.836 112 E HN 0.477 nan 8.360 nan 0.000 0.520 113 S N -0.261 115.387 115.700 -0.086 0.000 2.540 113 S HA 0.161 4.630 4.470 -0.001 0.000 0.218 113 S C 0.618 175.148 174.600 -0.117 0.000 0.977 113 S CA -0.408 57.751 58.200 -0.067 0.000 0.918 113 S CB 0.049 63.243 63.200 -0.009 0.000 0.806 113 S HN -0.009 nan 8.310 nan 0.000 0.496 114 L N 2.601 123.706 121.223 -0.195 0.000 2.375 114 L HA 0.476 4.815 4.340 -0.001 0.000 0.268 114 L C 0.525 177.319 176.870 -0.128 0.000 1.058 114 L CA -0.997 53.722 54.840 -0.200 0.000 0.803 114 L CB 0.693 42.556 42.059 -0.325 0.000 1.212 114 L HN 0.321 nan 8.230 nan 0.000 0.451 115 E N 1.199 121.336 120.200 -0.104 0.000 2.373 115 E HA 0.108 4.457 4.350 -0.001 0.000 0.267 115 E C -2.310 174.240 176.600 -0.084 0.000 1.032 115 E CA -1.634 54.719 56.400 -0.077 0.000 0.889 115 E CB 0.630 30.293 29.700 -0.063 0.000 0.984 115 E HN 0.311 nan 8.360 nan 0.000 0.425 116 P HA -0.241 nan 4.420 nan 0.000 0.218 116 P C 1.332 178.600 177.300 -0.054 0.000 1.165 116 P CA 1.910 64.981 63.100 -0.049 0.000 0.922 116 P CB 0.007 31.690 31.700 -0.029 0.000 0.794 117 R N -0.714 119.754 120.500 -0.054 0.000 2.341 117 R HA -0.087 4.253 4.340 -0.001 0.000 0.213 117 R C 1.834 178.061 176.300 -0.120 0.000 1.082 117 R CA 0.991 57.052 56.100 -0.064 0.000 1.017 117 R CB -0.104 30.162 30.300 -0.058 0.000 0.860 117 R HN 0.096 nan 8.270 nan 0.000 0.473 118 K N -0.351 119.960 120.400 -0.149 0.000 2.335 118 K HA 0.045 4.364 4.320 -0.001 0.000 0.195 118 K C 1.714 178.150 176.600 -0.274 0.000 1.058 118 K CA 0.125 56.263 56.287 -0.249 0.000 0.988 118 K CB 0.232 32.603 32.500 -0.215 0.000 0.880 118 K HN 0.236 nan 8.250 nan 0.000 0.513 119 L N 0.673 121.803 121.223 -0.155 0.000 2.068 119 L HA -0.069 4.270 4.340 -0.001 0.000 0.204 119 L C 2.307 179.162 176.870 -0.025 0.000 1.076 119 L CA 1.143 55.926 54.840 -0.095 0.000 0.753 119 L CB -0.300 41.703 42.059 -0.092 0.000 0.910 119 L HN 0.053 nan 8.230 nan 0.000 0.439 120 A N -0.378 122.430 122.820 -0.020 0.000 1.883 120 A HA -0.312 4.007 4.320 -0.001 0.000 0.217 120 A C 2.119 179.740 177.584 0.061 0.000 1.186 120 A CA 2.071 54.128 52.037 0.033 0.000 0.624 120 A CB -0.686 18.343 19.000 0.049 0.000 0.822 120 A HN 0.557 nan 8.150 nan 0.000 0.444 121 E N -1.500 118.695 120.200 -0.008 0.000 2.058 121 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 121 E C 1.711 178.318 176.600 0.012 0.000 0.997 121 E CA 1.592 57.973 56.400 -0.032 0.000 0.801 121 E CB -0.249 29.304 29.700 -0.245 0.000 0.746 121 E HN 0.708 nan 8.360 nan 0.000 0.450 122 Y N 0.266 120.575 120.300 0.015 0.000 2.421 122 Y HA -0.085 4.464 4.550 -0.001 0.000 0.292 122 Y C 1.979 177.897 175.900 0.029 0.000 1.136 122 Y CA 0.590 58.709 58.100 0.031 0.000 1.255 122 Y CB -0.177 38.303 38.460 0.033 0.000 0.991 122 Y HN 0.114 nan 8.280 nan 0.000 0.552 123 L N -1.072 120.248 121.223 0.162 0.000 2.056 123 L HA -0.199 4.140 4.340 -0.001 0.000 0.207 123 L C 2.065 178.976 176.870 0.069 0.000 1.078 123 L CA 1.329 56.230 54.840 0.101 0.000 0.749 123 L CB -0.373 41.730 42.059 0.074 0.000 0.901 123 L HN 0.166 nan 8.230 nan 0.000 0.433 124 I N -0.918 119.694 120.570 0.071 0.000 2.703 124 I HA -0.054 4.115 4.170 -0.001 0.000 0.259 124 I C 2.184 178.324 176.117 0.038 0.000 1.151 124 I CA 0.925 62.247 61.300 0.037 0.000 1.470 124 I CB -0.275 37.735 38.000 0.016 0.000 1.112 124 I HN 0.213 nan 8.210 nan 0.000 0.437 125 G N 0.440 109.289 108.800 0.081 0.000 3.042 125 G HA2 0.362 4.321 3.960 -0.001 0.000 0.212 125 G HA3 0.362 4.321 3.960 -0.001 0.000 0.212 125 G C 0.823 175.721 174.900 -0.003 0.000 1.166 125 G CA 0.425 45.557 45.100 0.053 0.000 0.767 125 G HN 0.505 nan 8.290 nan 0.000 0.546 126 G N -1.266 107.537 108.800 0.005 0.000 2.731 126 G HA2 0.032 3.991 3.960 -0.001 0.000 0.686 126 G HA3 0.032 3.991 3.960 -0.001 0.000 0.686 126 G C -0.702 174.191 174.900 -0.012 0.000 1.395 126 G CA -0.387 44.657 45.100 -0.093 0.000 0.870 126 G HN 0.880 nan 8.290 nan 0.000 0.591 127 V N 1.751 121.648 119.914 -0.028 0.000 2.444 127 V HA 0.785 4.904 4.120 -0.001 0.000 0.294 127 V C 0.849 176.951 176.094 0.013 0.000 1.022 127 V CA -0.081 62.186 62.300 -0.055 0.000 0.850 127 V CB 1.157 32.985 31.823 0.008 0.000 0.992 127 V HN 1.990 nan 8.190 nan 0.000 0.426 128 A N 3.490 126.327 122.820 0.027 0.000 2.279 128 A HA 0.822 5.141 4.320 -0.001 0.000 0.303 128 A C 1.461 179.027 177.584 -0.031 0.000 1.108 128 A CA 0.206 52.336 52.037 0.156 0.000 0.830 128 A CB 1.045 20.180 19.000 0.225 0.000 1.106 128 A HN 1.297 nan 8.150 nan 0.000 0.493 129 A N 0.941 123.749 122.820 -0.021 0.000 1.903 129 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 129 A C 1.446 178.937 177.584 -0.155 0.000 1.191 129 A CA 2.605 54.580 52.037 -0.104 0.000 0.638 129 A CB -1.212 17.736 19.000 -0.087 0.000 0.823 129 A HN 0.894 nan 8.150 nan 0.000 0.451 130 D N 0.144 120.483 120.400 -0.102 0.000 2.158 130 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 130 D C 1.144 177.347 176.300 -0.162 0.000 0.995 130 D CA 1.445 55.385 54.000 -0.100 0.000 0.846 130 D CB -0.262 40.516 40.800 -0.037 0.000 0.941 130 D HN 0.448 nan 8.370 nan 0.000 0.456 131 D N -0.187 120.083 120.400 -0.217 0.000 2.263 131 D HA -0.041 4.598 4.640 -0.001 0.000 0.208 131 D C 0.424 176.301 176.300 -0.704 0.000 0.971 131 D CA 0.389 54.179 54.000 -0.350 0.000 0.867 131 D CB -0.078 40.455 40.800 -0.444 0.000 0.929 131 D HN 0.173 nan 8.370 nan 0.000 0.492 132 L N 0.981 121.795 121.223 -0.681 0.000 2.350 132 L HA 0.291 4.630 4.340 -0.001 0.000 0.275 132 L C -2.104 174.468 176.870 -0.497 0.000 1.099 132 L CA -1.855 52.485 54.840 -0.834 0.000 0.808 132 L CB 0.724 42.424 42.059 -0.600 0.000 1.149 132 L HN -0.260 nan 8.230 nan 0.000 0.442 133 P HA 0.067 nan 4.420 nan 0.000 0.261 133 P C -0.847 176.352 177.300 -0.167 0.000 1.183 133 P CA -0.142 62.828 63.100 -0.216 0.000 0.761 133 P CB 0.370 31.994 31.700 -0.126 0.000 0.785 134 A N 3.671 126.419 122.820 -0.120 0.000 2.600 134 A HA 0.285 4.604 4.320 -0.001 0.000 0.253 134 A C 0.642 178.173 177.584 -0.089 0.000 0.997 134 A CA 1.043 53.022 52.037 -0.098 0.000 0.820 134 A CB -0.817 18.142 19.000 -0.067 0.000 0.888 134 A HN 0.612 nan 8.150 nan 0.000 0.508 135 S N 0.599 116.241 115.700 -0.096 0.000 2.565 135 S HA 0.471 4.940 4.470 -0.001 0.000 0.269 135 S C 0.219 174.766 174.600 -0.088 0.000 1.153 135 S CA -0.003 58.147 58.200 -0.084 0.000 0.835 135 S CB 1.370 64.517 63.200 -0.088 0.000 1.122 135 S HN 0.810 nan 8.310 nan 0.000 0.462 136 E N 1.462 121.617 120.200 -0.075 0.000 2.265 136 E HA 0.064 4.413 4.350 -0.001 0.000 0.196 136 E C 1.561 178.103 176.600 -0.097 0.000 0.996 136 E CA 1.954 58.306 56.400 -0.081 0.000 0.832 136 E CB -0.872 28.790 29.700 -0.063 0.000 0.756 136 E HN 0.777 nan 8.360 nan 0.000 0.491 137 G N 0.508 109.254 108.800 -0.091 0.000 2.616 137 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.215 137 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.215 137 G C 1.697 176.521 174.900 -0.127 0.000 1.284 137 G CA 1.049 46.092 45.100 -0.095 0.000 0.823 137 G HN 0.420 nan 8.290 nan 0.000 0.569 138 A N 1.109 123.850 122.820 -0.131 0.000 1.940 138 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 138 A C 2.200 179.684 177.584 -0.167 0.000 1.176 138 A CA 2.125 54.073 52.037 -0.148 0.000 0.631 138 A CB -0.648 18.254 19.000 -0.164 0.000 0.814 138 A HN 0.372 nan 8.150 nan 0.000 0.446 139 N N 0.044 118.650 118.700 -0.157 0.000 2.334 139 N HA -0.120 4.619 4.740 -0.001 0.000 0.187 139 N C 1.335 176.712 175.510 -0.221 0.000 1.016 139 N CA 1.345 54.299 53.050 -0.159 0.000 0.879 139 N CB -0.491 37.918 38.487 -0.131 0.000 0.965 139 N HN 0.648 nan 8.380 nan 0.000 0.438 140 I N -0.178 120.227 120.570 -0.275 0.000 2.406 140 I HA -0.160 4.009 4.170 -0.001 0.000 0.249 140 I C 1.775 177.487 176.117 -0.676 0.000 1.122 140 I CA 0.568 61.598 61.300 -0.449 0.000 1.431 140 I CB -0.133 37.608 38.000 -0.431 0.000 1.087 140 I HN 0.070 nan 8.210 nan 0.000 0.424 141 L N 0.729 121.674 121.223 -0.463 0.000 2.079 141 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 141 L C 2.446 179.198 176.870 -0.196 0.000 1.081 141 L CA 1.574 56.215 54.840 -0.332 0.000 0.752 141 L CB -0.569 41.405 42.059 -0.143 0.000 0.896 141 L HN 0.186 nan 8.230 nan 0.000 0.433 142 K N -0.553 119.746 120.400 -0.168 0.000 2.209 142 K HA -0.135 4.184 4.320 -0.001 0.000 0.204 142 K C 2.094 178.668 176.600 -0.043 0.000 1.048 142 K CA 1.207 57.443 56.287 -0.084 0.000 0.940 142 K CB -0.131 32.323 32.500 -0.077 0.000 0.729 142 K HN 0.267 nan 8.250 nan 0.000 0.451 143 M N -0.461 119.046 119.600 -0.154 0.000 2.200 143 M HA -0.126 4.353 4.480 -0.001 0.000 0.265 143 M C 1.373 177.719 176.300 0.077 0.000 1.066 143 M CA 1.370 56.583 55.300 -0.145 0.000 1.127 143 M CB 0.054 32.443 32.600 -0.352 0.000 1.379 143 M HN 0.109 nan 8.290 nan 0.000 0.420 144 Y N -0.628 119.628 120.300 -0.073 0.000 2.243 144 Y HA -0.027 4.523 4.550 -0.001 0.000 0.293 144 Y C 2.413 178.245 175.900 -0.113 0.000 1.124 144 Y CA 0.833 58.857 58.100 -0.126 0.000 1.159 144 Y CB -1.042 37.351 38.460 -0.112 0.000 1.008 144 Y HN 0.202 nan 8.280 nan 0.000 0.527 145 R N 0.410 120.969 120.500 0.099 0.000 2.120 145 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 145 R C 1.824 178.145 176.300 0.035 0.000 1.123 145 R CA 1.385 57.505 56.100 0.034 0.000 0.975 145 R CB 0.144 30.433 30.300 -0.018 0.000 0.866 145 R HN 0.240 nan 8.270 nan 0.000 0.446 146 E N -0.685 119.575 120.200 0.100 0.000 2.075 146 E HA -0.084 4.266 4.350 -0.001 0.000 0.190 146 E C 1.670 178.281 176.600 0.018 0.000 0.969 146 E CA 0.932 57.384 56.400 0.086 0.000 0.815 146 E CB -0.094 29.714 29.700 0.179 0.000 0.776 146 E HN 0.347 nan 8.360 nan 0.000 0.457 147 Y N -0.042 120.233 120.300 -0.043 0.000 2.519 147 Y HA 0.097 4.646 4.550 -0.002 0.000 0.287 147 Y C 2.072 177.919 175.900 -0.090 0.000 1.128 147 Y CA 0.604 58.675 58.100 -0.048 0.000 1.282 147 Y CB 0.198 38.643 38.460 -0.025 0.000 1.027 147 Y HN -0.045 nan 8.280 nan 0.000 0.551 148 L N -2.559 118.647 121.223 -0.027 0.000 2.840 148 L HA 0.365 4.704 4.340 -0.001 0.000 0.249 148 L C 1.359 178.167 176.870 -0.103 0.000 1.119 148 L CA 0.484 55.209 54.840 -0.192 0.000 0.930 148 L CB 0.518 42.199 42.059 -0.629 0.000 1.295 148 L HN 0.147 nan 8.230 nan 0.000 0.534 149 G N 0.625 109.399 108.800 -0.043 0.000 2.182 149 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.248 149 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.248 149 G C -0.036 174.950 174.900 0.143 0.000 1.042 149 G CA -0.102 45.019 45.100 0.035 0.000 0.775 149 G HN 0.498 nan 8.290 nan 0.000 0.501 150 H N -0.122 118.935 119.070 -0.022 0.000 2.482 150 H HA 0.542 5.097 4.556 -0.001 0.000 0.344 150 H C 0.910 176.170 175.328 -0.113 0.000 1.151 150 H CA -0.143 55.877 56.048 -0.047 0.000 1.300 150 H CB 1.392 31.145 29.762 -0.013 0.000 1.494 150 H HN 0.280 nan 8.280 nan 0.000 0.542 151 S N 1.069 116.736 115.700 -0.054 0.000 2.563 151 S HA -0.052 4.417 4.470 -0.001 0.000 0.284 151 S C 0.700 175.115 174.600 -0.309 0.000 1.331 151 S CA -0.358 57.647 58.200 -0.325 0.000 1.047 151 S CB 0.280 63.294 63.200 -0.310 0.000 0.859 151 S HN 0.722 nan 8.310 nan 0.000 0.514 152 S N 4.136 119.490 115.700 -0.577 0.000 2.438 152 S HA 0.417 4.886 4.470 -0.001 0.000 0.227 152 S C -0.913 173.603 174.600 -0.140 0.000 1.265 152 S CA -0.759 57.279 58.200 -0.270 0.000 1.265 152 S CB -0.638 62.450 63.200 -0.187 0.000 0.987 152 S HN 0.477 nan 8.310 nan 0.000 0.502 153 F N 1.987 121.953 119.950 0.027 0.000 2.332 153 F HA 0.478 5.004 4.527 -0.001 0.000 0.368 153 F C 1.163 176.968 175.800 0.009 0.000 1.110 153 F CA -2.290 55.718 58.000 0.012 0.000 1.087 153 F CB 0.852 39.864 39.000 0.019 0.000 1.235 153 F HN 0.117 nan 8.300 nan 0.000 0.470 154 L N 2.471 123.810 121.223 0.194 0.000 1.990 154 L HA -0.120 4.219 4.340 -0.001 0.000 0.213 154 L C 0.629 177.564 176.870 0.109 0.000 1.072 154 L CA 1.537 56.438 54.840 0.101 0.000 0.755 154 L CB -0.463 41.621 42.059 0.042 0.000 0.889 154 L HN 0.259 nan 8.230 nan 0.000 0.432 155 L N 0.318 121.600 121.223 0.099 0.000 2.365 155 L HA 0.441 4.780 4.340 -0.001 0.000 0.273 155 L C -2.367 174.490 176.870 -0.022 0.000 1.000 155 L CA -1.577 53.294 54.840 0.052 0.000 0.819 155 L CB 1.644 43.731 42.059 0.045 0.000 1.284 155 L HN -0.058 nan 8.230 nan 0.000 0.418 156 P HA 0.361 nan 4.420 nan 0.000 0.288 156 P C -2.812 174.340 177.300 -0.246 0.000 1.267 156 P CA -1.965 61.028 63.100 -0.178 0.000 0.815 156 P CB 1.046 32.754 31.700 0.014 0.000 0.989 157 P HA 0.184 nan 4.420 nan 0.000 0.271 157 P C -0.451 176.737 177.300 -0.186 0.000 1.218 157 P CA 0.148 63.072 63.100 -0.293 0.000 0.780 157 P CB 0.793 32.265 31.700 -0.381 0.000 0.901 158 L N 3.996 125.132 121.223 -0.146 0.000 2.581 158 L HA 0.253 4.592 4.340 -0.001 0.000 0.241 158 L C -1.379 175.386 176.870 -0.174 0.000 1.265 158 L CA -1.656 53.123 54.840 -0.101 0.000 0.954 158 L CB 1.562 43.600 42.059 -0.034 0.000 1.269 158 L HN 0.193 nan 8.230 nan 0.000 0.475 159 P HA -0.107 nan 4.420 nan 0.000 0.230 159 P C 0.578 177.680 177.300 -0.331 0.000 1.158 159 P CA 0.941 63.539 63.100 -0.837 0.000 0.769 159 P CB 0.320 31.068 31.700 -1.587 0.000 0.807 160 N N -0.125 118.604 118.700 0.048 0.000 2.461 160 N HA -0.026 4.713 4.740 -0.001 0.000 0.188 160 N C 1.337 176.950 175.510 0.172 0.000 1.134 160 N CA 1.050 54.287 53.050 0.311 0.000 0.878 160 N CB -0.341 38.398 38.487 0.421 0.000 0.972 160 N HN 0.317 nan 8.380 nan 0.000 0.456 161 T N -1.696 112.885 114.554 0.044 0.000 3.051 161 T HA -0.141 4.208 4.350 -0.001 0.000 0.269 161 T C 1.677 176.358 174.700 -0.033 0.000 1.127 161 T CA 0.586 62.694 62.100 0.013 0.000 1.107 161 T CB 0.029 68.873 68.868 -0.040 0.000 0.898 161 T HN 0.238 nan 8.240 nan 0.000 0.517 162 Q N 0.411 120.135 119.800 -0.126 0.000 2.224 162 Q HA -0.031 4.308 4.340 -0.001 0.000 0.203 162 Q C -0.375 175.455 176.000 -0.284 0.000 0.970 162 Q CA 0.758 56.400 55.803 -0.268 0.000 0.865 162 Q CB -0.148 28.348 28.738 -0.403 0.000 0.922 162 Q HN 0.619 nan 8.270 nan 0.000 0.445 163 F N 1.365 121.425 119.950 0.184 0.000 2.351 163 F HA 0.200 4.727 4.527 -0.001 0.000 0.362 163 F C 1.108 176.969 175.800 0.101 0.000 1.131 163 F CA -0.322 57.762 58.000 0.141 0.000 1.187 163 F CB 0.862 39.937 39.000 0.126 0.000 1.434 163 F HN -0.039 nan 8.300 nan 0.000 0.553 164 T N -2.325 112.352 114.554 0.205 0.000 3.160 164 T HA -0.092 4.257 4.350 -0.001 0.000 0.257 164 T C 1.973 176.752 174.700 0.132 0.000 1.147 164 T CA 0.448 62.632 62.100 0.140 0.000 1.064 164 T CB -0.168 68.769 68.868 0.114 0.000 0.949 164 T HN 0.358 nan 8.240 nan 0.000 0.526 165 R N 1.353 121.937 120.500 0.141 0.000 2.193 165 R HA 0.373 4.712 4.340 -0.001 0.000 0.213 165 R C 2.350 178.690 176.300 0.067 0.000 1.055 165 R CA 1.102 57.247 56.100 0.075 0.000 0.995 165 R CB -0.849 29.466 30.300 0.026 0.000 0.893 165 R HN 0.413 nan 8.270 nan 0.000 0.459 166 A N -0.496 122.383 122.820 0.097 0.000 1.929 166 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 166 A C 2.111 179.744 177.584 0.082 0.000 1.176 166 A CA 1.713 53.793 52.037 0.072 0.000 0.628 166 A CB -0.848 18.220 19.000 0.114 0.000 0.816 166 A HN 0.559 nan 8.150 nan 0.000 0.444 167 T N -3.188 111.418 114.554 0.086 0.000 3.035 167 T HA 0.167 4.516 4.350 -0.001 0.000 0.259 167 T C 0.792 175.518 174.700 0.043 0.000 1.078 167 T CA 1.296 63.435 62.100 0.065 0.000 1.132 167 T CB -0.542 68.355 68.868 0.049 0.000 0.900 167 T HN 0.746 nan 8.240 nan 0.000 0.480 168 T N -0.706 113.878 114.554 0.050 0.000 2.916 168 T HA 0.625 4.974 4.350 -0.001 0.000 0.305 168 T C -1.064 173.640 174.700 0.006 0.000 1.119 168 T CA -0.984 61.130 62.100 0.023 0.000 1.008 168 T CB 1.427 70.352 68.868 0.096 0.000 1.129 168 T HN 0.316 nan 8.240 nan 0.000 0.480 169 C N 1.841 121.085 119.300 -0.093 0.000 2.455 169 C HA 0.682 5.141 4.460 -0.001 0.000 0.320 169 C C -0.893 173.983 174.990 -0.190 0.000 1.226 169 C CA -1.018 57.971 59.018 -0.049 0.000 1.569 169 C CB 0.257 28.006 27.740 0.015 0.000 2.200 169 C HN 0.984 nan 8.230 nan 0.000 0.491 170 W N 2.728 123.996 121.300 -0.053 0.000 2.309 170 W HA 0.560 5.219 4.660 -0.002 0.000 0.332 170 W C -0.063 176.409 176.519 -0.078 0.000 0.962 170 W CA -0.600 56.692 57.345 -0.088 0.000 1.497 170 W CB 0.313 29.671 29.460 -0.169 0.000 1.308 170 W HN 0.482 nan 8.180 nan 0.000 0.384 171 I N 4.853 125.530 120.570 0.180 0.000 2.191 171 I HA 0.129 4.298 4.170 -0.001 0.000 0.289 171 I C -0.647 175.651 176.117 0.301 0.000 1.141 171 I CA -0.847 60.497 61.300 0.073 0.000 1.430 171 I CB -0.984 37.061 38.000 0.076 0.000 1.497 171 I HN 0.346 nan 8.210 nan 0.000 0.636 172 Y N 2.431 122.834 120.300 0.173 0.000 2.643 172 Y HA -0.212 4.337 4.550 -0.002 0.000 0.062 172 Y C 1.549 177.704 175.900 0.425 0.000 1.809 172 Y CA 0.618 58.814 58.100 0.160 0.000 1.309 172 Y CB -1.175 37.455 38.460 0.284 0.000 1.957 172 Y HN 0.883 nan 8.280 nan 0.000 0.277 173 G N 1.708 110.794 108.800 0.476 0.000 2.402 173 G HA2 0.084 4.043 3.960 -0.001 0.000 0.300 173 G HA3 0.084 4.043 3.960 -0.001 0.000 0.300 173 G C 0.504 175.613 174.900 0.349 0.000 0.987 173 G CA 0.854 46.229 45.100 0.458 0.000 0.881 173 G HN 1.831 nan 8.290 nan 0.000 0.512 174 G N -2.812 106.156 108.800 0.281 0.000 2.673 174 G HA2 0.706 4.665 3.960 -0.001 0.000 0.292 174 G HA3 0.706 4.665 3.960 -0.001 0.000 0.292 174 G C -1.424 173.186 174.900 -0.485 0.000 1.450 174 G CA 0.153 44.915 45.100 -0.564 0.000 0.837 174 G HN 1.250 nan 8.290 nan 0.000 0.505 175 V N -0.258 119.127 119.914 -0.883 0.000 3.078 175 V HA 0.907 5.026 4.120 -0.001 0.000 0.311 175 V C -0.460 175.372 176.094 -0.436 0.000 1.138 175 V CA -0.244 61.478 62.300 -0.963 0.000 1.007 175 V CB 2.640 33.223 31.823 -2.068 0.000 1.045 175 V HN 1.350 nan 8.190 nan 0.000 0.432 176 T N 3.356 117.749 114.554 -0.268 0.000 2.807 176 T HA 0.618 4.967 4.350 -0.001 0.000 0.279 176 T C -0.567 174.088 174.700 -0.075 0.000 0.993 176 T CA -0.513 61.562 62.100 -0.043 0.000 0.970 176 T CB 1.210 70.130 68.868 0.087 0.000 0.950 176 T HN 0.532 nan 8.240 nan 0.000 0.441 177 L N 3.434 124.623 121.223 -0.058 0.000 2.449 177 L HA 0.315 4.654 4.340 -0.001 0.000 0.255 177 L C -0.052 176.781 176.870 -0.063 0.000 1.167 177 L CA -1.052 53.763 54.840 -0.042 0.000 1.090 177 L CB -0.629 41.413 42.059 -0.029 0.000 1.385 177 L HN 0.615 nan 8.230 nan 0.000 0.411 178 N N 3.846 122.540 118.700 -0.010 0.000 2.359 178 N HA 0.030 4.769 4.740 -0.001 0.000 0.261 178 N C -2.241 173.262 175.510 -0.012 0.000 1.267 178 N CA -0.867 52.189 53.050 0.011 0.000 0.864 178 N CB 0.069 38.591 38.487 0.058 0.000 1.063 178 N HN 0.296 nan 8.380 nan 0.000 0.474 179 P HA 0.116 nan 4.420 nan 0.000 0.280 179 P C -0.004 177.335 177.300 0.065 0.000 1.386 179 P CA -0.368 62.720 63.100 -0.019 0.000 0.899 179 P CB 0.472 32.087 31.700 -0.143 0.000 1.098 180 M N 3.184 122.844 119.600 0.100 0.000 2.240 180 M HA -0.022 4.458 4.480 -0.001 0.000 0.317 180 M C 1.604 177.983 176.300 0.131 0.000 1.087 180 M CA 0.065 55.454 55.300 0.148 0.000 1.176 180 M CB -0.492 32.219 32.600 0.185 0.000 1.439 180 M HN 0.363 nan 8.290 nan 0.000 0.452 181 Y N 1.482 121.789 120.300 0.012 0.000 2.070 181 Y HA -0.124 4.425 4.550 -0.002 0.000 0.279 181 Y C 0.127 175.912 175.900 -0.192 0.000 1.134 181 Y CA 1.356 59.365 58.100 -0.153 0.000 1.113 181 Y CB -0.057 38.231 38.460 -0.287 0.000 0.981 181 Y HN 0.581 nan 8.280 nan 0.000 0.487 182 W N 1.862 123.327 121.300 0.275 0.000 2.216 182 W HA 0.200 4.859 4.660 -0.001 0.000 0.326 182 W C -1.483 175.077 176.519 0.068 0.000 1.319 182 W CA -1.810 55.623 57.345 0.147 0.000 1.213 182 W CB 0.134 29.722 29.460 0.212 0.000 1.171 182 W HN 0.075 nan 8.180 nan 0.000 0.557 183 P HA -0.265 nan 4.420 nan 0.000 0.215 183 P C 1.496 178.896 177.300 0.166 0.000 1.153 183 P CA 2.621 65.813 63.100 0.154 0.000 0.853 183 P CB 0.039 31.806 31.700 0.111 0.000 0.788 184 A N 0.456 123.395 122.820 0.197 0.000 1.883 184 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 184 A C 2.146 179.816 177.584 0.143 0.000 1.186 184 A CA 1.601 53.724 52.037 0.143 0.000 0.624 184 A CB -1.250 17.823 19.000 0.121 0.000 0.822 184 A HN 0.095 nan 8.150 nan 0.000 0.444 185 R N -0.585 120.035 120.500 0.199 0.000 2.355 185 R HA -0.068 4.271 4.340 -0.001 0.000 0.219 185 R C 1.847 178.237 176.300 0.149 0.000 1.107 185 R CA 0.906 57.117 56.100 0.186 0.000 1.021 185 R CB -0.268 30.187 30.300 0.258 0.000 0.852 185 R HN 0.525 nan 8.270 nan 0.000 0.475 186 R N 0.133 120.714 120.500 0.134 0.000 2.235 186 R HA -0.047 4.293 4.340 -0.001 0.000 0.213 186 R C 1.823 178.174 176.300 0.084 0.000 1.059 186 R CA 0.488 56.652 56.100 0.107 0.000 0.997 186 R CB 0.060 30.419 30.300 0.099 0.000 0.884 186 R HN 0.140 nan 8.270 nan 0.000 0.462 187 Q N 0.829 120.676 119.800 0.078 0.000 2.224 187 Q HA -0.155 4.184 4.340 -0.001 0.000 0.203 187 Q C 1.431 177.466 176.000 0.058 0.000 0.970 187 Q CA 1.412 57.251 55.803 0.059 0.000 0.865 187 Q CB 0.161 28.929 28.738 0.050 0.000 0.922 187 Q HN 0.538 nan 8.270 nan 0.000 0.445 188 E N -0.518 119.720 120.200 0.064 0.000 2.051 188 E HA -0.075 4.274 4.350 -0.001 0.000 0.189 188 E C 1.987 178.610 176.600 0.040 0.000 0.979 188 E CA 1.293 57.722 56.400 0.049 0.000 0.803 188 E CB -0.094 29.646 29.700 0.066 0.000 0.761 188 E HN 0.237 nan 8.360 nan 0.000 0.451 189 T N 2.344 116.932 114.554 0.056 0.000 2.653 189 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 189 T C 1.842 176.577 174.700 0.059 0.000 1.035 189 T CA 1.192 63.319 62.100 0.044 0.000 1.154 189 T CB -0.370 68.536 68.868 0.064 0.000 0.862 189 T HN 0.008 nan 8.240 nan 0.000 0.441 190 L N 1.218 122.500 121.223 0.098 0.000 1.956 190 L HA -0.096 4.243 4.340 -0.001 0.000 0.216 190 L C 2.290 179.284 176.870 0.206 0.000 1.073 190 L CA 1.757 56.700 54.840 0.173 0.000 0.762 190 L CB -0.967 41.160 42.059 0.114 0.000 0.889 190 L HN 0.289 nan 8.230 nan 0.000 0.433 191 L N -1.423 119.875 121.223 0.124 0.000 2.127 191 L HA -0.233 4.106 4.340 -0.001 0.000 0.211 191 L C 2.237 179.118 176.870 0.018 0.000 1.089 191 L CA 1.737 56.639 54.840 0.104 0.000 0.757 191 L CB -1.210 40.879 42.059 0.050 0.000 0.899 191 L HN 0.327 nan 8.230 nan 0.000 0.434 192 T N -1.480 113.023 114.554 -0.085 0.000 2.985 192 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 192 T C 1.930 176.361 174.700 -0.448 0.000 1.076 192 T CA 1.484 63.390 62.100 -0.324 0.000 1.135 192 T CB -0.120 68.511 68.868 -0.394 0.000 0.890 192 T HN 0.366 nan 8.240 nan 0.000 0.480 193 T N 2.176 116.640 114.554 -0.150 0.000 2.701 193 T HA -0.006 4.344 4.350 -0.001 0.000 0.263 193 T C 2.465 177.126 174.700 -0.065 0.000 1.040 193 T CA 1.123 63.194 62.100 -0.049 0.000 1.147 193 T CB -0.563 68.388 68.868 0.138 0.000 0.865 193 T HN 0.408 nan 8.240 nan 0.000 0.426 194 A N 1.045 123.872 122.820 0.011 0.000 1.940 194 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 194 A C 2.283 179.965 177.584 0.163 0.000 1.176 194 A CA 1.254 53.299 52.037 0.014 0.000 0.631 194 A CB -0.846 18.344 19.000 0.316 0.000 0.814 194 A HN 0.544 nan 8.150 nan 0.000 0.446 195 I N -1.956 118.674 120.570 0.100 0.000 2.353 195 I HA -0.207 3.962 4.170 -0.001 0.000 0.248 195 I C 2.161 178.503 176.117 0.375 0.000 1.119 195 I CA 0.971 62.393 61.300 0.204 0.000 1.417 195 I CB -0.294 37.749 38.000 0.073 0.000 1.078 195 I HN 0.334 nan 8.210 nan 0.000 0.421 196 Y N 0.954 121.270 120.300 0.027 0.000 2.314 196 Y HA -0.180 4.369 4.550 -0.001 0.000 0.293 196 Y C 2.529 178.507 175.900 0.131 0.000 1.129 196 Y CA 0.896 58.931 58.100 -0.108 0.000 1.201 196 Y CB -0.717 37.573 38.460 -0.283 0.000 0.999 196 Y HN 0.143 nan 8.280 nan 0.000 0.541 197 K N -0.706 119.767 120.400 0.122 0.000 2.044 197 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 197 K C 1.444 177.891 176.600 -0.256 0.000 1.049 197 K CA 1.432 57.594 56.287 -0.208 0.000 0.945 197 K CB -0.315 31.782 32.500 -0.672 0.000 0.724 197 K HN 0.102 nan 8.250 nan 0.000 0.440 198 F N 0.056 120.022 119.950 0.026 0.000 2.505 198 F HA 0.125 4.652 4.527 -0.001 0.000 0.289 198 F C 1.346 177.221 175.800 0.125 0.000 1.101 198 F CA -0.055 57.968 58.000 0.038 0.000 1.446 198 F CB -0.280 38.707 39.000 -0.021 0.000 1.123 198 F HN 0.104 nan 8.300 nan 0.000 0.564 199 H N 2.723 121.977 119.070 0.307 0.000 2.897 199 H HA 0.012 4.567 4.556 -0.001 0.000 0.347 199 H C -1.793 173.612 175.328 0.128 0.000 1.068 199 H CA -1.059 55.112 56.048 0.205 0.000 1.426 199 H CB 1.394 31.294 29.762 0.230 0.000 1.410 199 H HN -0.078 nan 8.280 nan 0.000 0.597 200 P HA -0.141 nan 4.420 nan 0.000 0.216 200 P C 1.299 178.605 177.300 0.009 0.000 1.150 200 P CA 1.092 64.135 63.100 -0.095 0.000 0.837 200 P CB 0.322 31.889 31.700 -0.222 0.000 0.786 201 E N -1.648 118.620 120.200 0.113 0.000 2.130 201 E HA -0.170 4.179 4.350 -0.001 0.000 0.196 201 E C 1.376 177.755 176.600 -0.368 0.000 0.998 201 E CA 1.350 57.608 56.400 -0.237 0.000 0.806 201 E CB -0.323 28.988 29.700 -0.649 0.000 0.738 201 E HN 0.393 nan 8.360 nan 0.000 0.459 202 F N -0.902 119.215 119.950 0.279 0.000 2.577 202 F HA 0.326 4.852 4.527 -0.002 0.000 0.276 202 F C 2.205 178.195 175.800 0.318 0.000 1.032 202 F CA 0.193 58.386 58.000 0.321 0.000 1.297 202 F CB -1.042 38.172 39.000 0.357 0.000 1.061 202 F HN -0.123 nan 8.300 nan 0.000 0.680 203 A N 1.254 124.314 122.820 0.400 0.000 1.906 203 A HA -0.301 4.018 4.320 -0.001 0.000 0.222 203 A C 1.994 179.635 177.584 0.094 0.000 1.282 203 A CA 2.668 54.819 52.037 0.190 0.000 0.675 203 A CB -1.081 17.997 19.000 0.130 0.000 0.838 203 A HN 0.458 nan 8.150 nan 0.000 0.469 204 N N -0.093 118.662 118.700 0.091 0.000 2.422 204 N HA 0.197 4.936 4.740 -0.001 0.000 0.181 204 N C 0.777 176.322 175.510 0.058 0.000 1.080 204 N CA 0.715 53.789 53.050 0.040 0.000 0.893 204 N CB -0.421 38.082 38.487 0.026 0.000 0.973 204 N HN 0.569 nan 8.380 nan 0.000 0.456 205 A N 1.071 123.987 122.820 0.161 0.000 2.536 205 A HA -0.026 4.293 4.320 -0.001 0.000 0.234 205 A C 0.495 178.151 177.584 0.119 0.000 1.076 205 A CA 0.320 52.498 52.037 0.235 0.000 0.769 205 A CB 0.321 19.640 19.000 0.532 0.000 1.020 205 A HN 0.031 nan 8.150 nan 0.000 0.508 206 E N 0.820 121.119 120.200 0.164 0.000 2.014 206 E HA 0.530 4.879 4.350 -0.001 0.000 0.275 206 E C -1.252 175.479 176.600 0.218 0.000 0.997 206 E CA 0.204 56.650 56.400 0.076 0.000 0.804 206 E CB 0.398 30.144 29.700 0.076 0.000 1.090 206 E HN 0.490 nan 8.360 nan 0.000 0.401 207 F N 0.296 120.248 119.950 0.003 0.000 2.725 207 F HA 0.464 4.990 4.527 -0.002 0.000 0.309 207 F C -0.547 175.123 175.800 -0.216 0.000 1.132 207 F CA -1.276 56.703 58.000 -0.036 0.000 0.957 207 F CB 0.807 39.872 39.000 0.108 0.000 1.286 207 F HN 0.003 nan 8.300 nan 0.000 0.440 208 E N 1.365 121.423 120.200 -0.237 0.000 2.322 208 E HA 0.632 4.981 4.350 -0.001 0.000 0.257 208 E C -1.071 175.144 176.600 -0.642 0.000 1.155 208 E CA -0.563 55.473 56.400 -0.606 0.000 0.936 208 E CB 1.118 30.158 29.700 -1.100 0.000 1.130 208 E HN 0.687 nan 8.360 nan 0.000 0.465 209 I N 2.885 123.120 120.570 -0.558 0.000 2.668 209 I HA 0.138 4.307 4.170 -0.001 0.000 0.276 209 I C 0.019 176.043 176.117 -0.155 0.000 1.139 209 I CA -0.400 60.692 61.300 -0.347 0.000 1.133 209 I CB 0.409 38.308 38.000 -0.168 0.000 1.327 209 I HN 0.746 nan 8.210 nan 0.000 0.520 210 W N 3.747 125.053 121.300 0.009 0.000 2.305 210 W HA -0.227 4.432 4.660 -0.001 0.000 0.308 210 W C 0.684 177.286 176.519 0.138 0.000 1.226 210 W CA 0.677 58.050 57.345 0.047 0.000 1.253 210 W CB -0.017 29.454 29.460 0.018 0.000 1.146 210 W HN 0.416 nan 8.180 nan 0.000 0.507 211 Y N -1.145 119.249 120.300 0.156 0.000 2.662 211 Y HA 0.443 4.993 4.550 -0.001 0.000 0.334 211 Y C 0.199 176.100 175.900 0.002 0.000 1.185 211 Y CA -0.886 57.255 58.100 0.069 0.000 1.074 211 Y CB 0.658 39.145 38.460 0.045 0.000 1.330 211 Y HN 0.113 nan 8.280 nan 0.000 0.458 212 G N 3.547 111.670 108.800 -1.128 0.000 2.712 212 G HA2 0.265 4.224 3.960 -0.001 0.000 0.686 212 G HA3 0.265 4.224 3.960 -0.001 0.000 0.686 212 G C -1.645 173.125 174.900 -0.217 0.000 1.321 212 G CA -0.157 44.468 45.100 -0.792 0.000 0.813 212 G HN 1.074 nan 8.290 nan 0.000 0.599 213 D N 1.598 122.016 120.400 0.031 0.000 2.795 213 D HA 0.338 4.977 4.640 -0.001 0.000 0.206 213 D C -2.225 174.192 176.300 0.195 0.000 1.278 213 D CA -1.122 52.945 54.000 0.112 0.000 0.839 213 D CB 1.990 42.837 40.800 0.079 0.000 1.700 213 D HN 0.062 nan 8.370 nan 0.000 0.549 214 P HA 0.010 nan 4.420 nan 0.000 0.223 214 P C 0.560 177.888 177.300 0.047 0.000 1.151 214 P CA 0.649 63.825 63.100 0.127 0.000 0.787 214 P CB 0.357 32.156 31.700 0.165 0.000 0.788 215 D N -0.893 119.531 120.400 0.039 0.000 2.363 215 D HA -0.029 4.610 4.640 -0.001 0.000 0.220 215 D C 0.785 177.044 176.300 -0.069 0.000 0.994 215 D CA 0.717 54.706 54.000 -0.017 0.000 0.890 215 D CB 0.144 40.951 40.800 0.011 0.000 0.906 215 D HN 0.262 nan 8.370 nan 0.000 0.530 216 K N 1.057 121.385 120.400 -0.121 0.000 2.118 216 K HA 0.138 4.457 4.320 -0.001 0.000 0.254 216 K C -0.937 175.399 176.600 -0.439 0.000 0.961 216 K CA -0.661 55.434 56.287 -0.320 0.000 0.876 216 K CB 1.560 33.754 32.500 -0.510 0.000 1.077 216 K HN -0.343 nan 8.250 nan 0.000 0.440 217 D N 1.901 122.071 120.400 -0.384 0.000 2.392 217 D HA 0.122 4.761 4.640 -0.001 0.000 0.228 217 D C -0.229 175.869 176.300 -0.337 0.000 1.074 217 D CA -0.271 53.573 54.000 -0.259 0.000 0.838 217 D CB 0.588 41.312 40.800 -0.127 0.000 1.067 217 D HN 0.598 nan 8.370 nan 0.000 0.511 218 H N 3.364 122.425 119.070 -0.015 0.000 2.555 218 H HA 0.219 4.775 4.556 -0.001 0.000 0.283 218 H C 1.601 176.932 175.328 0.005 0.000 1.037 218 H CA 0.346 56.396 56.048 0.004 0.000 1.169 218 H CB 0.140 29.913 29.762 0.018 0.000 1.375 218 H HN 0.692 nan 8.280 nan 0.000 0.582 219 G N 1.245 110.067 108.800 0.037 0.000 2.660 219 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.321 219 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.321 219 G C 1.051 175.952 174.900 0.001 0.000 1.246 219 G CA 0.734 45.840 45.100 0.010 0.000 1.000 219 G HN 0.419 nan 8.290 nan 0.000 0.550 220 S N 0.700 116.401 115.700 0.000 0.000 2.660 220 S HA 0.476 4.945 4.470 -0.001 0.000 0.227 220 S C 0.605 175.209 174.600 0.007 0.000 0.948 220 S CA 0.651 58.837 58.200 -0.022 0.000 0.948 220 S CB 0.328 63.511 63.200 -0.029 0.000 0.779 220 S HN 0.619 nan 8.310 nan 0.000 0.487 221 S N 3.229 118.966 115.700 0.061 0.000 2.410 221 S HA 0.452 4.921 4.470 -0.001 0.000 0.304 221 S C 0.199 174.858 174.600 0.098 0.000 1.095 221 S CA -0.565 57.693 58.200 0.096 0.000 1.089 221 S CB 0.674 63.993 63.200 0.199 0.000 0.968 221 S HN 0.550 nan 8.310 nan 0.000 0.480 222 T N 2.131 116.725 114.554 0.066 0.000 2.893 222 T HA 0.702 5.051 4.350 -0.001 0.000 0.293 222 T C -0.941 173.808 174.700 0.083 0.000 1.027 222 T CA -0.838 61.307 62.100 0.076 0.000 0.988 222 T CB 1.196 70.118 68.868 0.090 0.000 1.043 222 T HN 0.389 nan 8.240 nan 0.000 0.461 223 L N 1.581 122.863 121.223 0.098 0.000 2.422 223 L HA 0.627 4.967 4.340 -0.001 0.000 0.264 223 L C -1.157 175.780 176.870 0.111 0.000 0.984 223 L CA -0.562 54.332 54.840 0.091 0.000 0.819 223 L CB 2.252 44.368 42.059 0.095 0.000 1.330 223 L HN 0.942 nan 8.230 nan 0.000 0.410 224 E N 2.191 122.465 120.200 0.124 0.000 2.265 224 E HA 0.237 4.586 4.350 -0.001 0.000 0.262 224 E C 0.684 177.328 176.600 0.073 0.000 0.889 224 E CA -0.230 56.247 56.400 0.127 0.000 0.789 224 E CB 2.028 31.863 29.700 0.225 0.000 1.221 224 E HN 0.893 nan 8.360 nan 0.000 0.414 225 G N 3.185 112.010 108.800 0.043 0.000 2.817 225 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.226 225 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.226 225 G C 1.298 176.213 174.900 0.025 0.000 1.115 225 G CA 1.456 46.575 45.100 0.031 0.000 0.750 225 G HN 0.682 nan 8.290 nan 0.000 0.637 226 G N 0.400 109.148 108.800 -0.085 0.000 2.469 226 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.220 226 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.220 226 G C 1.450 176.419 174.900 0.115 0.000 1.136 226 G CA 1.430 46.493 45.100 -0.062 0.000 0.759 226 G HN 0.464 nan 8.290 nan 0.000 0.562 227 D N -0.115 120.370 120.400 0.141 0.000 2.194 227 D HA 0.006 4.646 4.640 -0.001 0.000 0.204 227 D C 1.171 177.550 176.300 0.132 0.000 0.964 227 D CA 0.241 54.328 54.000 0.146 0.000 0.846 227 D CB 0.035 40.909 40.800 0.123 0.000 0.962 227 D HN 0.136 nan 8.370 nan 0.000 0.490 228 V N 2.768 122.751 119.914 0.115 0.000 2.488 228 V HA 0.233 4.353 4.120 -0.001 0.000 0.277 228 V C 0.380 176.555 176.094 0.135 0.000 1.046 228 V CA 0.049 62.408 62.300 0.098 0.000 0.986 228 V CB 0.572 32.429 31.823 0.057 0.000 0.989 228 V HN 0.110 nan 8.190 nan 0.000 0.475 229 M N 5.546 125.225 119.600 0.132 0.000 2.272 229 M HA 0.445 4.924 4.480 -0.001 0.000 0.240 229 M C -3.171 173.173 176.300 0.074 0.000 0.991 229 M CA -1.519 53.873 55.300 0.153 0.000 1.008 229 M CB 2.401 35.181 32.600 0.301 0.000 2.221 229 M HN 0.282 nan 8.290 nan 0.000 0.469 230 P HA 0.168 nan 4.420 nan 0.000 0.275 230 P C 0.275 177.492 177.300 -0.139 0.000 1.276 230 P CA -0.030 62.912 63.100 -0.264 0.000 0.782 230 P CB 0.428 31.688 31.700 -0.734 0.000 0.851 231 I N 0.440 121.011 120.570 0.001 0.000 3.861 231 I HA 0.427 4.596 4.170 -0.001 0.000 0.329 231 I C 0.840 176.963 176.117 0.009 0.000 1.321 231 I CA -0.168 61.110 61.300 -0.037 0.000 1.126 231 I CB -0.152 37.845 38.000 -0.005 0.000 1.018 231 I HN 0.457 nan 8.210 nan 0.000 0.407 232 G N 2.692 111.600 108.800 0.180 0.000 2.535 232 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.095 232 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.095 232 G C -0.665 174.381 174.900 0.244 0.000 2.409 232 G CA -0.035 45.183 45.100 0.197 0.000 1.254 232 G HN 0.473 nan 8.290 nan 0.000 0.367 233 N N 1.602 120.386 118.700 0.140 0.000 2.564 233 N HA 0.416 5.155 4.740 -0.001 0.000 0.248 233 N C 1.094 176.619 175.510 0.026 0.000 0.986 233 N CA 0.381 53.453 53.050 0.036 0.000 0.921 233 N CB 1.597 40.091 38.487 0.011 0.000 1.136 233 N HN 1.820 nan 8.380 nan 0.000 0.509 234 G N 1.129 109.872 108.800 -0.095 0.000 2.284 234 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.268 234 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.268 234 G C 0.146 175.133 174.900 0.145 0.000 0.980 234 G CA 0.859 45.941 45.100 -0.030 0.000 0.631 234 G HN 0.525 nan 8.290 nan 0.000 0.548 235 V N 0.429 120.457 119.914 0.190 0.000 2.649 235 V HA 0.582 4.701 4.120 -0.001 0.000 0.292 235 V C 0.459 176.668 176.094 0.193 0.000 1.055 235 V CA -0.286 62.114 62.300 0.167 0.000 1.023 235 V CB 1.784 33.681 31.823 0.122 0.000 0.992 235 V HN 0.440 nan 8.190 nan 0.000 0.480 236 V N 5.561 125.550 119.914 0.124 0.000 2.610 236 V HA 0.367 4.486 4.120 -0.001 0.000 0.298 236 V C -0.422 175.719 176.094 0.079 0.000 1.067 236 V CA -0.481 61.867 62.300 0.079 0.000 0.894 236 V CB 1.616 33.453 31.823 0.024 0.000 1.015 236 V HN 0.674 nan 8.190 nan 0.000 0.432 237 L N 5.574 126.867 121.223 0.116 0.000 2.371 237 L HA 0.672 5.011 4.340 -0.001 0.000 0.272 237 L C -0.527 176.411 176.870 0.113 0.000 1.124 237 L CA -0.238 54.691 54.840 0.149 0.000 0.816 237 L CB 0.952 43.151 42.059 0.234 0.000 1.129 237 L HN 0.471 nan 8.230 nan 0.000 0.448 238 I N 1.233 121.860 120.570 0.094 0.000 2.649 238 I HA 0.299 4.468 4.170 -0.001 0.000 0.289 238 I C 0.203 176.336 176.117 0.027 0.000 1.222 238 I CA -0.450 60.880 61.300 0.051 0.000 1.046 238 I CB 2.075 40.076 38.000 0.003 0.000 1.272 238 I HN 0.658 nan 8.210 nan 0.000 0.425 239 G N 5.954 114.767 108.800 0.022 0.000 2.403 239 G HA2 0.489 4.448 3.960 -0.001 0.000 0.259 239 G HA3 0.489 4.448 3.960 -0.001 0.000 0.259 239 G C -0.514 174.367 174.900 -0.030 0.000 1.244 239 G CA -0.378 44.712 45.100 -0.017 0.000 0.849 239 G HN 0.604 nan 8.290 nan 0.000 0.532 240 M N 3.713 123.276 119.600 -0.060 0.000 2.027 240 M HA 0.512 4.991 4.480 -0.001 0.000 0.329 240 M C 0.062 176.311 176.300 -0.085 0.000 0.971 240 M CA -0.333 54.920 55.300 -0.079 0.000 0.933 240 M CB 0.680 33.210 32.600 -0.116 0.000 1.392 240 M HN 0.665 nan 8.290 nan 0.000 0.394 241 G N 1.670 110.418 108.800 -0.087 0.000 3.058 241 G HA2 0.230 4.189 3.960 -0.001 0.000 0.282 241 G HA3 0.230 4.189 3.960 -0.001 0.000 0.282 241 G C -0.046 174.779 174.900 -0.125 0.000 1.248 241 G CA -0.215 44.819 45.100 -0.110 0.000 0.822 241 G HN 0.533 nan 8.290 nan 0.000 0.579 242 E N -0.434 119.662 120.200 -0.173 0.000 2.396 242 E HA -0.067 4.282 4.350 -0.001 0.000 0.200 242 E C 1.904 178.341 176.600 -0.272 0.000 1.023 242 E CA 0.690 56.959 56.400 -0.218 0.000 0.857 242 E CB 0.186 29.721 29.700 -0.273 0.000 0.775 242 E HN 0.242 nan 8.360 nan 0.000 0.525 243 R N -1.102 119.264 120.500 -0.223 0.000 2.344 243 R HA 0.208 4.547 4.340 -0.001 0.000 0.209 243 R C 0.258 176.581 176.300 0.038 0.000 0.886 243 R CA 0.077 56.103 56.100 -0.123 0.000 1.040 243 R CB 0.706 30.905 30.300 -0.169 0.000 1.114 243 R HN -0.173 nan 8.270 nan 0.000 0.547 244 S N 1.469 117.175 115.700 0.009 0.000 2.594 244 S HA 0.224 4.694 4.470 -0.001 0.000 0.322 244 S C -0.085 174.509 174.600 -0.011 0.000 1.085 244 S CA -0.545 57.671 58.200 0.026 0.000 1.116 244 S CB 1.885 65.102 63.200 0.028 0.000 0.979 244 S HN 0.244 nan 8.310 nan 0.000 0.465 245 S N 3.102 118.802 115.700 -0.000 0.000 2.592 245 S HA 0.207 4.676 4.470 -0.001 0.000 0.271 245 S C 1.453 176.013 174.600 -0.068 0.000 1.326 245 S CA -0.658 57.525 58.200 -0.028 0.000 1.024 245 S CB 0.626 63.821 63.200 -0.009 0.000 0.921 245 S HN 0.818 nan 8.310 nan 0.000 0.527 246 R N 1.636 122.082 120.500 -0.091 0.000 2.120 246 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 246 R C 1.623 177.850 176.300 -0.123 0.000 1.123 246 R CA 1.486 57.511 56.100 -0.125 0.000 0.975 246 R CB -0.772 29.439 30.300 -0.149 0.000 0.866 246 R HN 0.660 nan 8.270 nan 0.000 0.446 247 Q N 1.193 120.939 119.800 -0.089 0.000 2.197 247 Q HA -0.080 4.260 4.340 -0.001 0.000 0.207 247 Q C 2.172 178.113 176.000 -0.097 0.000 0.984 247 Q CA 2.397 58.157 55.803 -0.072 0.000 0.869 247 Q CB -0.219 28.505 28.738 -0.024 0.000 0.906 247 Q HN 0.584 nan 8.270 nan 0.000 0.426 248 A N -0.218 122.531 122.820 -0.117 0.000 1.935 248 A HA -0.010 4.309 4.320 -0.001 0.000 0.214 248 A C 2.002 179.339 177.584 -0.412 0.000 1.178 248 A CA 0.583 52.463 52.037 -0.261 0.000 0.640 248 A CB -0.357 18.574 19.000 -0.114 0.000 0.825 248 A HN 0.312 nan 8.150 nan 0.000 0.447 249 I N 0.006 120.425 120.570 -0.251 0.000 2.179 249 I HA -0.215 3.955 4.170 -0.001 0.000 0.242 249 I C 2.726 178.696 176.117 -0.245 0.000 1.088 249 I CA 1.228 62.389 61.300 -0.233 0.000 1.357 249 I CB -0.764 37.141 38.000 -0.158 0.000 1.051 249 I HN 0.382 nan 8.210 nan 0.000 0.409 250 G N 0.334 109.011 108.800 -0.205 0.000 2.459 250 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 250 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 250 G C 1.539 176.329 174.900 -0.182 0.000 1.183 250 G CA 0.501 45.501 45.100 -0.166 0.000 0.776 250 G HN 0.444 nan 8.290 nan 0.000 0.552 251 Q N -0.257 119.404 119.800 -0.231 0.000 2.364 251 Q HA 0.006 4.345 4.340 -0.001 0.000 0.209 251 Q C 2.656 178.475 176.000 -0.301 0.000 0.977 251 Q CA 0.769 56.446 55.803 -0.211 0.000 0.885 251 Q CB -0.015 28.624 28.738 -0.166 0.000 0.941 251 Q HN 0.444 nan 8.270 nan 0.000 0.464 252 V N 0.252 119.895 119.914 -0.452 0.000 2.500 252 V HA -0.105 4.014 4.120 -0.001 0.000 0.243 252 V C 2.141 178.018 176.094 -0.361 0.000 1.039 252 V CA 1.502 63.573 62.300 -0.383 0.000 1.053 252 V CB -0.502 31.083 31.823 -0.397 0.000 0.695 252 V HN 0.329 nan 8.190 nan 0.000 0.463 253 A N -0.593 121.978 122.820 -0.416 0.000 1.898 253 A HA -0.271 4.048 4.320 -0.001 0.000 0.216 253 A C 2.209 179.312 177.584 -0.801 0.000 1.181 253 A CA 2.011 53.619 52.037 -0.716 0.000 0.620 253 A CB -0.508 18.174 19.000 -0.530 0.000 0.819 253 A HN 0.567 nan 8.150 nan 0.000 0.442 254 Q N -0.263 119.391 119.800 -0.244 0.000 2.030 254 Q HA -0.204 4.136 4.340 -0.001 0.000 0.204 254 Q C 2.354 178.360 176.000 0.011 0.000 0.986 254 Q CA 2.239 58.080 55.803 0.063 0.000 0.843 254 Q CB -0.293 28.494 28.738 0.082 0.000 0.904 254 Q HN 0.629 nan 8.270 nan 0.000 0.420 255 S N -0.019 115.653 115.700 -0.046 0.000 2.359 255 S HA -0.181 4.288 4.470 -0.001 0.000 0.223 255 S C 1.955 176.503 174.600 -0.088 0.000 1.039 255 S CA 1.527 59.740 58.200 0.021 0.000 1.042 255 S CB -0.451 62.810 63.200 0.101 0.000 0.915 255 S HN 0.490 nan 8.310 nan 0.000 0.439 256 L N -0.097 120.916 121.223 -0.350 0.000 2.191 256 L HA -0.070 4.269 4.340 -0.001 0.000 0.212 256 L C 2.240 178.976 176.870 -0.223 0.000 1.103 256 L CA 1.017 55.531 54.840 -0.542 0.000 0.769 256 L CB -0.520 41.129 42.059 -0.685 0.000 0.908 256 L HN 0.337 nan 8.230 nan 0.000 0.438 257 F N -0.224 119.660 119.950 -0.109 0.000 2.259 257 F HA -0.064 4.462 4.527 -0.001 0.000 0.298 257 F C 2.429 178.216 175.800 -0.023 0.000 1.088 257 F CA 0.415 58.381 58.000 -0.056 0.000 1.358 257 F CB -1.219 37.767 39.000 -0.024 0.000 1.040 257 F HN 0.010 nan 8.300 nan 0.000 0.505 258 A N 0.638 123.563 122.820 0.176 0.000 1.830 258 A HA -0.204 4.115 4.320 -0.001 0.000 0.214 258 A C 2.034 179.694 177.584 0.125 0.000 1.218 258 A CA 1.519 53.639 52.037 0.139 0.000 0.628 258 A CB -0.855 18.229 19.000 0.140 0.000 0.860 258 A HN 0.135 nan 8.150 nan 0.000 0.454 259 K N 0.054 120.543 120.400 0.148 0.000 2.585 259 K HA 0.162 4.481 4.320 -0.001 0.000 0.194 259 K C 0.901 177.570 176.600 0.115 0.000 1.037 259 K CA 0.673 57.068 56.287 0.179 0.000 0.964 259 K CB -1.143 31.579 32.500 0.369 0.000 0.787 259 K HN 0.953 nan 8.250 nan 0.000 0.488 260 G N 0.297 109.143 108.800 0.077 0.000 2.372 260 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.297 260 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.297 260 G C 0.557 175.463 174.900 0.010 0.000 1.005 260 G CA 0.329 45.467 45.100 0.062 0.000 1.173 260 G HN 0.408 nan 8.290 nan 0.000 0.511 261 A N -0.753 122.012 122.820 -0.093 0.000 2.390 261 A HA 0.825 5.144 4.320 -0.001 0.000 0.232 261 A C 1.174 178.654 177.584 -0.173 0.000 1.233 261 A CA 1.362 53.309 52.037 -0.148 0.000 0.907 261 A CB 0.538 19.345 19.000 -0.323 0.000 0.967 261 A HN 2.261 nan 8.150 nan 0.000 0.512 262 A N -0.351 122.412 122.820 -0.095 0.000 2.429 262 A HA 0.595 4.914 4.320 -0.001 0.000 0.289 262 A C 0.174 177.858 177.584 0.167 0.000 1.043 262 A CA -0.314 51.717 52.037 -0.009 0.000 0.722 262 A CB 0.755 19.707 19.000 -0.080 0.000 1.243 262 A HN 0.187 nan 8.150 nan 0.000 0.415 263 E N 1.039 121.312 120.200 0.123 0.000 2.028 263 E HA -0.037 4.312 4.350 -0.001 0.000 0.190 263 E C 0.892 177.639 176.600 0.245 0.000 0.984 263 E CA 0.730 57.215 56.400 0.142 0.000 0.800 263 E CB 0.279 30.011 29.700 0.053 0.000 0.758 263 E HN 0.560 nan 8.360 nan 0.000 0.448 264 R N 0.594 121.222 120.500 0.213 0.000 2.686 264 R HA 0.389 4.728 4.340 -0.001 0.000 0.286 264 R C -1.688 174.724 176.300 0.187 0.000 0.969 264 R CA -0.344 55.892 56.100 0.227 0.000 0.898 264 R CB 2.000 32.377 30.300 0.129 0.000 1.183 264 R HN -0.117 nan 8.270 nan 0.000 0.456 265 V N 6.265 126.297 119.914 0.197 0.000 2.305 265 V HA 0.347 4.466 4.120 -0.001 0.000 0.275 265 V C 0.089 176.250 176.094 0.111 0.000 1.020 265 V CA -0.609 61.742 62.300 0.086 0.000 0.811 265 V CB 1.194 32.990 31.823 -0.045 0.000 1.031 265 V HN 0.654 nan 8.190 nan 0.000 0.439 266 I N 4.564 125.201 120.570 0.111 0.000 2.416 266 I HA 0.231 4.400 4.170 -0.001 0.000 0.288 266 I C -0.004 176.207 176.117 0.156 0.000 1.051 266 I CA -0.257 61.128 61.300 0.141 0.000 1.375 266 I CB 1.449 39.525 38.000 0.126 0.000 1.407 266 I HN 0.250 nan 8.210 nan 0.000 0.516 267 V N 7.028 127.053 119.914 0.185 0.000 2.320 267 V HA 0.321 4.440 4.120 -0.001 0.000 0.265 267 V C 0.674 176.890 176.094 0.203 0.000 1.048 267 V CA -0.645 61.739 62.300 0.141 0.000 0.865 267 V CB 0.941 32.799 31.823 0.060 0.000 1.043 267 V HN 0.836 nan 8.190 nan 0.000 0.474 268 A N 4.250 127.140 122.820 0.117 0.000 2.437 268 A HA 0.562 4.881 4.320 -0.001 0.000 0.303 268 A C 0.999 178.549 177.584 -0.056 0.000 1.324 268 A CA 0.095 52.117 52.037 -0.025 0.000 0.983 268 A CB -0.110 18.681 19.000 -0.349 0.000 1.142 268 A HN 0.965 nan 8.150 nan 0.000 0.541 269 G N 2.971 111.806 108.800 0.058 0.000 2.439 269 G HA2 0.449 4.408 3.960 -0.001 0.000 0.298 269 G HA3 0.449 4.408 3.960 -0.001 0.000 0.298 269 G C -0.010 174.863 174.900 -0.046 0.000 1.044 269 G CA -0.397 44.719 45.100 0.028 0.000 1.168 269 G HN 0.711 nan 8.290 nan 0.000 0.433 270 L N 4.088 125.257 121.223 -0.089 0.000 2.416 270 L HA 0.207 4.546 4.340 -0.001 0.000 0.272 270 L C -1.333 175.493 176.870 -0.074 0.000 1.161 270 L CA -1.485 53.292 54.840 -0.104 0.000 0.845 270 L CB 0.721 42.717 42.059 -0.106 0.000 1.119 270 L HN 0.366 nan 8.230 nan 0.000 0.464 271 P HA 0.010 nan 4.420 nan 0.000 0.321 271 P C -0.502 176.765 177.300 -0.055 0.000 1.338 271 P CA -0.657 62.409 63.100 -0.057 0.000 0.764 271 P CB 0.177 31.837 31.700 -0.066 0.000 1.641 277 M N -1.668 117.796 119.600 -0.227 0.000 2.667 277 M HA 0.879 5.358 4.480 -0.001 0.000 0.286 277 M C -0.987 175.102 176.300 -0.352 0.000 1.270 277 M CA -0.614 54.549 55.300 -0.228 0.000 0.826 277 M CB 1.214 33.789 32.600 -0.042 0.000 1.743 277 M HN 0.155 nan 8.290 nan 0.000 0.460 278 H N -0.191 118.874 119.070 -0.008 0.000 2.771 278 H HA 0.486 5.041 4.556 -0.002 0.000 0.367 278 H C 0.255 175.591 175.328 0.014 0.000 1.172 278 H CA -0.843 55.205 56.048 0.001 0.000 1.186 278 H CB 1.700 31.474 29.762 0.019 0.000 1.790 278 H HN 0.751 nan 8.280 nan 0.000 0.556 279 L N 1.159 122.476 121.223 0.157 0.000 1.971 279 L HA -0.191 4.148 4.340 -0.001 0.000 0.215 279 L C 1.818 178.783 176.870 0.158 0.000 1.072 279 L CA 2.248 57.147 54.840 0.100 0.000 0.758 279 L CB -0.497 41.617 42.059 0.092 0.000 0.889 279 L HN 0.897 nan 8.230 nan 0.000 0.433 280 D N -2.483 118.010 120.400 0.155 0.000 2.407 280 D HA -0.149 4.490 4.640 -0.001 0.000 0.234 280 D C 1.451 177.768 176.300 0.028 0.000 1.029 280 D CA 1.137 55.170 54.000 0.055 0.000 0.937 280 D CB -0.431 40.385 40.800 0.027 0.000 0.882 280 D HN 0.372 nan 8.370 nan 0.000 0.531 281 T N -0.718 113.891 114.554 0.091 0.000 3.057 281 T HA 0.059 4.408 4.350 -0.001 0.000 0.254 281 T C 1.498 176.244 174.700 0.075 0.000 1.094 281 T CA 0.936 63.081 62.100 0.075 0.000 1.088 281 T CB 0.396 69.335 68.868 0.118 0.000 0.934 281 T HN 0.298 nan 8.240 nan 0.000 0.497 282 V N -2.574 117.415 119.914 0.124 0.000 3.392 282 V HA 0.572 4.691 4.120 -0.001 0.000 0.294 282 V C -0.450 175.779 176.094 0.224 0.000 1.561 282 V CA -0.726 61.688 62.300 0.190 0.000 1.056 282 V CB -0.082 31.889 31.823 0.247 0.000 0.882 282 V HN 0.193 nan 8.190 nan 0.000 0.440 283 F N 1.147 121.078 119.950 -0.032 0.000 2.573 283 F HA 0.829 5.355 4.527 -0.002 0.000 0.316 283 F C -0.766 174.936 175.800 -0.163 0.000 1.148 283 F CA -0.278 57.678 58.000 -0.073 0.000 0.940 283 F CB 2.187 41.183 39.000 -0.008 0.000 1.214 283 F HN 0.002 nan 8.300 nan 0.000 0.448 284 S N 5.301 120.570 115.700 -0.717 0.000 2.566 284 S HA 0.558 5.027 4.470 -0.001 0.000 0.273 284 S C -1.257 172.936 174.600 -0.679 0.000 1.157 284 S CA -0.539 57.300 58.200 -0.600 0.000 0.938 284 S CB 1.095 64.084 63.200 -0.351 0.000 1.087 284 S HN 0.418 nan 8.310 nan 0.000 0.474 285 F N 0.675 120.391 119.950 -0.389 0.000 2.382 285 F HA 0.395 4.921 4.527 -0.002 0.000 0.331 285 F C 1.277 176.985 175.800 -0.152 0.000 1.121 285 F CA -0.307 57.540 58.000 -0.254 0.000 1.183 285 F CB 0.792 39.703 39.000 -0.148 0.000 1.207 285 F HN 0.692 nan 8.300 nan 0.000 0.555 286 C N -1.078 118.279 119.300 0.095 0.000 3.913 286 C HA 0.282 4.741 4.460 -0.001 0.000 0.535 286 C C -0.257 174.761 174.990 0.048 0.000 1.470 286 C CA -0.133 58.908 59.018 0.037 0.000 2.358 286 C CB 0.146 27.876 27.740 -0.017 0.000 3.527 286 C HN 0.748 nan 8.230 nan 0.000 0.611 287 D N -0.035 120.410 120.400 0.074 0.000 2.570 287 D HA 0.248 4.887 4.640 -0.001 0.000 0.244 287 D C 0.765 177.104 176.300 0.064 0.000 1.178 287 D CA -0.449 53.580 54.000 0.049 0.000 0.881 287 D CB 1.365 42.181 40.800 0.028 0.000 1.453 287 D HN 0.206 nan 8.370 nan 0.000 0.447 288 R N 0.668 121.181 120.500 0.021 0.000 2.140 288 R HA -0.202 4.137 4.340 -0.001 0.000 0.250 288 R C 0.406 176.734 176.300 0.047 0.000 1.150 288 R CA 2.194 58.294 56.100 0.000 0.000 0.966 288 R CB -0.381 29.918 30.300 -0.002 0.000 0.869 288 R HN 0.298 nan 8.270 nan 0.000 0.445 289 D N -0.223 120.221 120.400 0.073 0.000 2.696 289 D HA 0.203 4.843 4.640 -0.001 0.000 0.269 289 D C -0.212 176.148 176.300 0.100 0.000 1.319 289 D CA -0.323 53.735 54.000 0.098 0.000 0.826 289 D CB 0.128 40.962 40.800 0.057 0.000 1.086 289 D HN 0.266 nan 8.370 nan 0.000 0.481 290 L N 0.699 121.998 121.223 0.127 0.000 2.388 290 L HA 0.674 5.013 4.340 -0.001 0.000 0.264 290 L C -0.897 175.957 176.870 -0.027 0.000 0.998 290 L CA -0.932 53.936 54.840 0.046 0.000 0.817 290 L CB 2.253 44.324 42.059 0.019 0.000 1.338 290 L HN 0.014 nan 8.230 nan 0.000 0.414 291 V N -0.484 119.337 119.914 -0.155 0.000 3.181 291 V HA 0.801 4.920 4.120 -0.001 0.000 0.307 291 V C -0.687 175.252 176.094 -0.259 0.000 1.310 291 V CA -0.424 61.646 62.300 -0.383 0.000 1.067 291 V CB 1.914 33.339 31.823 -0.662 0.000 1.081 291 V HN 0.841 nan 8.190 nan 0.000 0.453 292 T N -0.512 113.854 114.554 -0.314 0.000 2.893 292 T HA 0.889 5.238 4.350 -0.001 0.000 0.293 292 T C -0.541 174.091 174.700 -0.114 0.000 1.027 292 T CA -0.089 61.909 62.100 -0.169 0.000 0.988 292 T CB 1.361 70.133 68.868 -0.160 0.000 1.043 292 T HN 2.289 nan 8.240 nan 0.000 0.461 293 V N -0.244 119.676 119.914 0.010 0.000 3.167 293 V HA 0.867 4.986 4.120 -0.001 0.000 0.310 293 V C -1.535 174.689 176.094 0.216 0.000 1.207 293 V CA -1.298 61.078 62.300 0.128 0.000 1.059 293 V CB 2.041 33.963 31.823 0.166 0.000 1.079 293 V HN 0.870 nan 8.190 nan 0.000 0.446 294 F N 3.310 123.294 119.950 0.057 0.000 2.363 294 F HA 0.687 5.213 4.527 -0.001 0.000 0.366 294 F C -2.227 173.607 175.800 0.057 0.000 1.083 294 F CA -3.097 54.940 58.000 0.061 0.000 1.176 294 F CB 1.277 40.315 39.000 0.065 0.000 1.432 294 F HN 0.336 nan 8.300 nan 0.000 0.482 295 P HA -0.246 nan 4.420 nan 0.000 0.215 295 P C 1.343 178.552 177.300 -0.151 0.000 1.163 295 P CA 2.047 65.153 63.100 0.009 0.000 0.894 295 P CB 0.367 32.094 31.700 0.046 0.000 0.791 296 E N -1.049 118.962 120.200 -0.316 0.000 2.136 296 E HA -0.190 4.159 4.350 -0.001 0.000 0.208 296 E C 1.862 178.238 176.600 -0.373 0.000 1.035 296 E CA 1.769 57.927 56.400 -0.403 0.000 0.838 296 E CB -0.986 28.335 29.700 -0.632 0.000 0.748 296 E HN 0.115 nan 8.360 nan 0.000 0.459 297 V N -0.649 118.987 119.914 -0.464 0.000 2.341 297 V HA -0.139 3.980 4.120 -0.001 0.000 0.240 297 V C 2.205 178.216 176.094 -0.140 0.000 1.035 297 V CA 0.951 63.103 62.300 -0.247 0.000 1.033 297 V CB -0.562 31.163 31.823 -0.163 0.000 0.678 297 V HN 0.103 nan 8.190 nan 0.000 0.464 298 V N 0.698 120.565 119.914 -0.078 0.000 2.233 298 V HA -0.332 3.787 4.120 -0.001 0.000 0.252 298 V C 2.620 178.689 176.094 -0.043 0.000 1.063 298 V CA 2.217 64.485 62.300 -0.053 0.000 1.032 298 V CB -0.888 30.988 31.823 0.088 0.000 0.645 298 V HN 0.506 nan 8.190 nan 0.000 0.446 299 K N 0.046 120.434 120.400 -0.020 0.000 2.362 299 K HA -0.168 4.151 4.320 -0.001 0.000 0.202 299 K C 1.398 177.979 176.600 -0.033 0.000 1.045 299 K CA 1.018 57.299 56.287 -0.011 0.000 0.936 299 K CB -0.283 32.206 32.500 -0.019 0.000 0.747 299 K HN 0.549 nan 8.250 nan 0.000 0.467 300 E N 0.646 120.806 120.200 -0.066 0.000 2.558 300 E HA 0.080 4.429 4.350 -0.001 0.000 0.205 300 E C 0.298 176.854 176.600 -0.073 0.000 1.006 300 E CA -0.292 56.069 56.400 -0.066 0.000 0.961 300 E CB -0.292 29.362 29.700 -0.077 0.000 1.044 300 E HN 0.328 nan 8.360 nan 0.000 0.465 301 I N -1.742 118.770 120.570 -0.097 0.000 2.353 301 I HA 0.228 4.397 4.170 -0.001 0.000 0.293 301 I C -0.054 176.030 176.117 -0.055 0.000 0.992 301 I CA -1.023 60.203 61.300 -0.122 0.000 1.268 301 I CB 1.422 39.238 38.000 -0.307 0.000 1.387 301 I HN -0.345 nan 8.210 nan 0.000 0.478 302 V N 8.896 128.812 119.914 0.003 0.000 2.356 302 V HA 0.307 4.426 4.120 -0.001 0.000 0.258 302 V C -1.737 174.353 176.094 -0.007 0.000 1.065 302 V CA -1.263 61.027 62.300 -0.018 0.000 0.935 302 V CB -0.213 31.635 31.823 0.042 0.000 1.061 302 V HN 0.743 nan 8.190 nan 0.000 0.484 303 P HA 0.276 nan 4.420 nan 0.000 0.271 303 P C -0.944 176.223 177.300 -0.221 0.000 1.233 303 P CA -0.032 63.094 63.100 0.043 0.000 0.789 303 P CB 0.605 32.359 31.700 0.090 0.000 0.951 304 F N -1.108 118.877 119.950 0.058 0.000 2.651 304 F HA 0.168 4.695 4.527 -0.001 0.000 0.329 304 F C 0.133 175.965 175.800 0.054 0.000 1.186 304 F CA -0.490 57.536 58.000 0.043 0.000 1.046 304 F CB 1.667 40.683 39.000 0.027 0.000 1.296 304 F HN 0.039 nan 8.300 nan 0.000 0.497 305 S N 3.333 119.148 115.700 0.192 0.000 2.525 305 S HA 0.693 5.162 4.470 -0.001 0.000 0.278 305 S C -0.894 173.810 174.600 0.174 0.000 1.234 305 S CA -0.404 57.887 58.200 0.151 0.000 1.058 305 S CB 1.018 64.273 63.200 0.091 0.000 0.983 305 S HN 0.349 nan 8.310 nan 0.000 0.495 306 L N 3.850 125.192 121.223 0.199 0.000 2.341 306 L HA 0.619 4.958 4.340 -0.001 0.000 0.278 306 L C -0.244 176.814 176.870 0.314 0.000 1.005 306 L CA -0.008 54.997 54.840 0.274 0.000 0.818 306 L CB 1.485 43.739 42.059 0.326 0.000 1.259 306 L HN 0.638 nan 8.230 nan 0.000 0.418 307 R N 3.838 124.386 120.500 0.079 0.000 2.698 307 R HA 0.535 4.875 4.340 -0.001 0.000 0.275 307 R C -2.664 173.240 176.300 -0.659 0.000 1.001 307 R CA -1.718 54.231 56.100 -0.252 0.000 0.896 307 R CB 1.840 32.075 30.300 -0.110 0.000 1.218 307 R HN 0.352 nan 8.270 nan 0.000 0.462 308 P HA -0.009 nan 4.420 nan 0.000 0.267 308 P C -0.964 176.133 177.300 -0.339 0.000 1.205 308 P CA 0.256 62.892 63.100 -0.773 0.000 0.765 308 P CB 0.772 32.097 31.700 -0.625 0.000 0.828 309 D N 4.207 124.472 120.400 -0.225 0.000 2.378 309 D HA 0.270 4.909 4.640 -0.001 0.000 0.265 309 D C -1.806 174.429 176.300 -0.107 0.000 1.229 309 D CA -2.409 51.510 54.000 -0.134 0.000 0.914 309 D CB 0.670 41.410 40.800 -0.100 0.000 1.140 309 D HN -0.019 nan 8.370 nan 0.000 0.516 310 P HA -0.211 nan 4.420 nan 0.000 0.218 310 P C 1.350 178.608 177.300 -0.071 0.000 1.150 310 P CA 1.370 64.428 63.100 -0.069 0.000 0.841 310 P CB 0.219 31.886 31.700 -0.056 0.000 0.784 311 S N -2.294 113.359 115.700 -0.078 0.000 2.474 311 S HA -0.027 4.442 4.470 -0.001 0.000 0.235 311 S C 1.203 175.730 174.600 -0.122 0.000 0.997 311 S CA 0.207 58.357 58.200 -0.083 0.000 0.949 311 S CB -0.948 62.209 63.200 -0.072 0.000 0.766 311 S HN 0.077 nan 8.310 nan 0.000 0.517 312 S N 2.430 118.035 115.700 -0.158 0.000 2.549 312 S HA 0.339 4.809 4.470 -0.001 0.000 0.279 312 S C -1.675 172.757 174.600 -0.280 0.000 1.321 312 S CA -1.316 56.711 58.200 -0.288 0.000 1.054 312 S CB 0.867 63.876 63.200 -0.318 0.000 0.899 312 S HN 0.129 nan 8.310 nan 0.000 0.497 313 P HA 0.006 nan 4.420 nan 0.000 0.219 313 P C 0.037 177.275 177.300 -0.103 0.000 1.150 313 P CA 0.940 63.918 63.100 -0.204 0.000 0.814 313 P CB -0.029 31.566 31.700 -0.174 0.000 0.787 314 Y N -3.277 117.035 120.300 0.020 0.000 2.625 314 Y HA 0.635 5.184 4.550 -0.002 0.000 0.285 314 Y C 1.418 177.343 175.900 0.042 0.000 1.168 314 Y CA -0.993 57.126 58.100 0.032 0.000 1.250 314 Y CB -1.069 37.410 38.460 0.032 0.000 1.130 314 Y HN -0.029 nan 8.280 nan 0.000 0.526 315 G N 0.446 109.296 108.800 0.083 0.000 2.175 315 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.265 315 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.265 315 G C -0.132 174.811 174.900 0.071 0.000 0.979 315 G CA 0.959 46.101 45.100 0.070 0.000 0.663 315 G HN 0.471 nan 8.290 nan 0.000 0.533 316 M N -0.864 118.841 119.600 0.176 0.000 2.631 316 M HA 0.450 4.930 4.480 -0.001 0.000 0.288 316 M C -0.724 175.668 176.300 0.153 0.000 1.260 316 M CA -0.886 54.495 55.300 0.135 0.000 0.842 316 M CB 2.079 34.857 32.600 0.297 0.000 1.743 316 M HN -0.006 nan 8.290 nan 0.000 0.461 317 N N 1.827 120.573 118.700 0.076 0.000 2.524 317 N HA 0.443 5.182 4.740 -0.001 0.000 0.261 317 N C -1.720 173.863 175.510 0.121 0.000 0.998 317 N CA -0.178 52.925 53.050 0.089 0.000 0.915 317 N CB 1.179 39.674 38.487 0.014 0.000 1.187 317 N HN 0.659 nan 8.380 nan 0.000 0.507 318 I N 3.388 124.054 120.570 0.161 0.000 2.243 318 I HA 0.092 4.261 4.170 -0.001 0.000 0.297 318 I C 0.939 177.154 176.117 0.164 0.000 1.161 318 I CA -0.246 61.152 61.300 0.162 0.000 1.298 318 I CB -0.044 38.038 38.000 0.135 0.000 1.475 318 I HN 0.282 nan 8.210 nan 0.000 0.561 319 R N 6.234 126.819 120.500 0.142 0.000 2.553 319 R HA 0.519 4.858 4.340 -0.001 0.000 0.263 319 R C -0.417 175.955 176.300 0.120 0.000 1.066 319 R CA -0.459 55.703 56.100 0.103 0.000 1.135 319 R CB 0.924 31.259 30.300 0.059 0.000 1.148 319 R HN 0.485 nan 8.270 nan 0.000 0.558 320 R N 1.137 121.643 120.500 0.011 0.000 2.621 320 R HA 0.252 4.591 4.340 -0.001 0.000 0.292 320 R C -0.949 175.241 176.300 -0.183 0.000 0.969 320 R CA -0.686 55.301 56.100 -0.188 0.000 0.887 320 R CB 1.238 31.348 30.300 -0.318 0.000 1.180 320 R HN 0.616 nan 8.270 nan 0.000 0.450 321 E N 2.259 122.327 120.200 -0.221 0.000 2.366 321 E HA 0.032 4.381 4.350 -0.001 0.000 0.266 321 E C 0.046 176.563 176.600 -0.139 0.000 1.051 321 E CA -0.095 56.227 56.400 -0.130 0.000 0.884 321 E CB 1.369 31.021 29.700 -0.080 0.000 1.006 321 E HN 0.562 nan 8.360 nan 0.000 0.417 322 E N 1.200 121.349 120.200 -0.085 0.000 2.389 322 E HA 0.048 4.397 4.350 -0.001 0.000 0.199 322 E C -0.077 176.493 176.600 -0.050 0.000 0.978 322 E CA 0.418 56.776 56.400 -0.071 0.000 0.912 322 E CB 0.519 30.187 29.700 -0.052 0.000 0.907 322 E HN 0.358 nan 8.360 nan 0.000 0.494 323 K N 0.643 121.020 120.400 -0.039 0.000 2.179 323 K HA 0.232 4.551 4.320 -0.001 0.000 0.238 323 K C 0.687 177.278 176.600 -0.014 0.000 1.033 323 K CA -0.301 55.972 56.287 -0.024 0.000 0.926 323 K CB 0.404 32.892 32.500 -0.020 0.000 1.151 323 K HN -0.064 nan 8.250 nan 0.000 0.492 324 T N -2.127 112.429 114.554 0.004 0.000 2.816 324 T HA 0.065 4.415 4.350 -0.001 0.000 0.282 324 T C 1.000 175.739 174.700 0.065 0.000 0.993 324 T CA -0.549 61.574 62.100 0.038 0.000 0.994 324 T CB 0.285 69.182 68.868 0.047 0.000 1.025 324 T HN 0.467 nan 8.240 nan 0.000 0.529 325 F N 1.005 120.919 119.950 -0.060 0.000 2.069 325 F HA -0.025 4.501 4.527 -0.001 0.000 0.298 325 F C 1.994 177.762 175.800 -0.054 0.000 1.113 325 F CA 1.490 59.438 58.000 -0.086 0.000 1.214 325 F CB -0.747 38.170 39.000 -0.139 0.000 0.978 325 F HN 0.492 nan 8.300 nan 0.000 0.474 326 L N -0.331 120.918 121.223 0.043 0.000 2.353 326 L HA -0.128 4.211 4.340 -0.001 0.000 0.220 326 L C 1.101 177.947 176.870 -0.040 0.000 1.133 326 L CA 1.046 55.883 54.840 -0.005 0.000 0.798 326 L CB -0.707 41.418 42.059 0.110 0.000 0.922 326 L HN 0.157 nan 8.230 nan 0.000 0.445 327 E N -0.413 119.768 120.200 -0.033 0.000 2.411 327 E HA 0.167 4.516 4.350 -0.001 0.000 0.228 327 E C 0.332 176.898 176.600 -0.056 0.000 1.169 327 E CA -0.201 56.183 56.400 -0.028 0.000 1.421 327 E CB 0.530 30.226 29.700 -0.006 0.000 1.333 327 E HN 0.245 nan 8.360 nan 0.000 0.434 328 V N -1.846 117.999 119.914 -0.116 0.000 3.930 328 V HA -0.126 3.993 4.120 -0.001 0.000 0.172 328 V C 1.728 177.732 176.094 -0.149 0.000 1.399 328 V CA -0.008 62.218 62.300 -0.123 0.000 1.191 328 V CB 0.170 31.906 31.823 -0.145 0.000 1.204 328 V HN 0.098 nan 8.190 nan 0.000 0.584 329 V N 1.594 121.331 119.914 -0.294 0.000 2.250 329 V HA -0.347 3.772 4.120 -0.001 0.000 0.250 329 V C 2.835 178.917 176.094 -0.020 0.000 1.060 329 V CA 2.925 65.100 62.300 -0.209 0.000 1.030 329 V CB -1.086 30.566 31.823 -0.286 0.000 0.643 329 V HN 0.612 nan 8.190 nan 0.000 0.445 330 A N -0.915 121.898 122.820 -0.012 0.000 1.940 330 A HA -0.298 4.021 4.320 -0.001 0.000 0.219 330 A C 2.288 179.883 177.584 0.019 0.000 1.176 330 A CA 2.192 54.249 52.037 0.033 0.000 0.631 330 A CB -0.476 18.539 19.000 0.025 0.000 0.814 330 A HN 0.687 nan 8.150 nan 0.000 0.446 331 E N 0.276 120.473 120.200 -0.005 0.000 2.008 331 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 331 E C 2.161 178.764 176.600 0.006 0.000 0.986 331 E CA 1.457 57.856 56.400 -0.002 0.000 0.807 331 E CB -0.186 29.506 29.700 -0.012 0.000 0.766 331 E HN 0.683 nan 8.360 nan 0.000 0.450 332 S N 0.034 115.736 115.700 0.003 0.000 2.488 332 S HA -0.156 4.313 4.470 -0.001 0.000 0.246 332 S C 1.517 176.134 174.600 0.028 0.000 0.992 332 S CA 0.796 59.007 58.200 0.018 0.000 0.963 332 S CB -0.044 63.170 63.200 0.022 0.000 0.754 332 S HN 0.242 nan 8.310 nan 0.000 0.519 333 L N 0.524 121.764 121.223 0.029 0.000 2.766 333 L HA 0.471 4.810 4.340 -0.001 0.000 0.242 333 L C 1.739 178.622 176.870 0.022 0.000 1.136 333 L CA 0.676 55.533 54.840 0.029 0.000 0.933 333 L CB -0.304 41.778 42.059 0.039 0.000 1.241 333 L HN 0.499 nan 8.230 nan 0.000 0.522 334 G N 0.043 108.854 108.800 0.019 0.000 2.166 334 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.260 334 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.260 334 G C 0.499 175.409 174.900 0.016 0.000 0.986 334 G CA 0.555 45.663 45.100 0.014 0.000 0.683 334 G HN 0.294 nan 8.290 nan 0.000 0.527 335 L N 0.327 121.564 121.223 0.024 0.000 2.452 335 L HA 0.278 4.617 4.340 -0.001 0.000 0.267 335 L C 2.206 179.088 176.870 0.021 0.000 1.188 335 L CA -0.263 54.593 54.840 0.026 0.000 0.821 335 L CB 0.513 42.597 42.059 0.042 0.000 1.102 335 L HN 0.213 nan 8.230 nan 0.000 0.470 336 K N 2.071 122.482 120.400 0.018 0.000 2.057 336 K HA -0.071 4.248 4.320 -0.001 0.000 0.206 336 K C -0.073 176.537 176.600 0.016 0.000 1.050 336 K CA 1.260 57.555 56.287 0.014 0.000 0.935 336 K CB -0.088 32.419 32.500 0.012 0.000 0.715 336 K HN 0.741 nan 8.250 nan 0.000 0.439 337 K N -0.416 119.997 120.400 0.022 0.000 2.589 337 K HA 0.316 4.635 4.320 -0.001 0.000 0.265 337 K C -1.314 175.307 176.600 0.034 0.000 0.935 337 K CA -0.743 55.559 56.287 0.024 0.000 0.850 337 K CB 0.936 33.447 32.500 0.019 0.000 1.372 337 K HN -0.038 nan 8.250 nan 0.000 0.420 338 L N 3.114 124.362 121.223 0.042 0.000 2.361 338 L HA 0.269 4.608 4.340 -0.001 0.000 0.278 338 L C 0.273 177.166 176.870 0.039 0.000 1.113 338 L CA -0.484 54.389 54.840 0.056 0.000 0.849 338 L CB 0.546 42.651 42.059 0.076 0.000 1.155 338 L HN 0.518 nan 8.230 nan 0.000 0.452 339 R N 3.128 123.647 120.500 0.033 0.000 2.404 339 R HA 0.216 4.555 4.340 -0.001 0.000 0.315 339 R C -0.889 175.410 176.300 -0.001 0.000 1.032 339 R CA -0.203 55.905 56.100 0.015 0.000 0.992 339 R CB 0.550 30.856 30.300 0.011 0.000 0.959 339 R HN 0.338 nan 8.270 nan 0.000 0.428 340 V N 4.525 124.439 119.914 0.001 0.000 2.459 340 V HA 0.355 4.475 4.120 -0.001 0.000 0.295 340 V C 0.013 176.099 176.094 -0.015 0.000 1.029 340 V CA -0.782 61.515 62.300 -0.005 0.000 0.874 340 V CB 1.961 33.800 31.823 0.026 0.000 0.985 340 V HN 0.391 nan 8.190 nan 0.000 0.438 341 V N 4.239 124.133 119.914 -0.034 0.000 2.540 341 V HA 0.465 4.584 4.120 -0.001 0.000 0.302 341 V C -0.146 175.934 176.094 -0.023 0.000 1.035 341 V CA -0.618 61.656 62.300 -0.044 0.000 0.873 341 V CB 2.010 33.786 31.823 -0.078 0.000 0.992 341 V HN 0.952 nan 8.190 nan 0.000 0.428 342 E N 2.612 122.813 120.200 0.002 0.000 2.214 342 E HA 0.774 5.123 4.350 -0.001 0.000 0.274 342 E C -0.729 175.902 176.600 0.052 0.000 0.977 342 E CA -0.551 55.879 56.400 0.050 0.000 0.827 342 E CB 2.260 32.011 29.700 0.086 0.000 1.130 342 E HN 0.823 nan 8.360 nan 0.000 0.394 343 T N -1.421 113.182 114.554 0.081 0.000 2.957 343 T HA 0.716 5.065 4.350 -0.001 0.000 0.336 343 T C -0.093 174.637 174.700 0.049 0.000 1.462 343 T CA -0.488 61.629 62.100 0.029 0.000 1.073 343 T CB 1.861 70.673 68.868 -0.094 0.000 1.319 343 T HN 0.855 nan 8.240 nan 0.000 0.485 353 E N 1.806 121.820 120.200 -0.309 0.000 2.022 353 E HA -0.014 4.335 4.350 -0.001 0.000 0.193 353 E C 1.050 177.598 176.600 -0.087 0.000 0.969 353 E CA 1.412 57.735 56.400 -0.128 0.000 0.834 353 E CB 0.299 29.962 29.700 -0.061 0.000 0.798 353 E HN 0.468 nan 8.360 nan 0.000 0.467 354 Q N -2.158 117.601 119.800 -0.070 0.000 3.164 354 Q HA 0.313 4.652 4.340 -0.001 0.000 0.347 354 Q C -0.862 175.170 176.000 0.053 0.000 0.880 354 Q CA -0.882 54.932 55.803 0.019 0.000 0.809 354 Q CB 0.843 29.616 28.738 0.059 0.000 2.267 354 Q HN 0.138 nan 8.270 nan 0.000 0.363 355 W N 2.240 123.521 121.300 -0.033 0.000 2.529 355 W HA 0.516 5.175 4.660 -0.002 0.000 0.321 355 W C -1.871 174.649 176.519 0.001 0.000 1.047 355 W CA -0.084 57.250 57.345 -0.017 0.000 1.216 355 W CB 1.671 31.123 29.460 -0.014 0.000 1.357 355 W HN 0.758 nan 8.180 nan 0.000 0.489 356 D N 3.317 123.023 120.400 -1.157 0.000 2.661 356 D HA 0.203 4.842 4.640 -0.001 0.000 0.228 356 D C -1.777 173.701 176.300 -1.370 0.000 1.183 356 D CA -0.643 52.686 54.000 -1.120 0.000 0.844 356 D CB 1.921 42.471 40.800 -0.415 0.000 1.555 356 D HN 0.255 nan 8.370 nan 0.000 0.453 357 D N 0.671 120.450 120.400 -1.036 0.000 2.460 357 D HA 0.315 4.954 4.640 -0.001 0.000 0.232 357 D C 1.068 177.187 176.300 -0.301 0.000 1.079 357 D CA -0.584 53.060 54.000 -0.595 0.000 0.864 357 D CB 1.367 41.959 40.800 -0.347 0.000 1.048 357 D HN 0.586 nan 8.370 nan 0.000 0.523 358 G N 3.717 112.372 108.800 -0.240 0.000 2.471 358 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.219 358 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.219 358 G C 1.002 175.820 174.900 -0.137 0.000 1.125 358 G CA -0.034 44.971 45.100 -0.158 0.000 0.775 358 G HN 0.432 nan 8.290 nan 0.000 0.548 359 N N 0.828 119.446 118.700 -0.138 0.000 2.237 359 N HA -0.066 4.673 4.740 -0.001 0.000 0.222 359 N C 0.761 176.197 175.510 -0.123 0.000 1.311 359 N CA 0.488 53.463 53.050 -0.125 0.000 0.880 359 N CB -0.062 38.368 38.487 -0.095 0.000 1.106 359 N HN 0.280 nan 8.380 nan 0.000 0.435 360 N N -1.121 117.498 118.700 -0.135 0.000 2.815 360 N HA -0.179 4.560 4.740 -0.001 0.000 0.249 360 N C -1.003 174.435 175.510 -0.121 0.000 1.114 360 N CA 0.286 53.266 53.050 -0.118 0.000 0.717 360 N CB -1.191 37.252 38.487 -0.074 0.000 1.074 360 N HN 0.364 nan 8.380 nan 0.000 0.555 361 V N -1.422 118.416 119.914 -0.128 0.000 2.498 361 V HA 0.608 4.727 4.120 -0.001 0.000 0.279 361 V C 1.057 177.165 176.094 0.023 0.000 1.048 361 V CA -0.767 61.477 62.300 -0.093 0.000 0.967 361 V CB 1.783 33.551 31.823 -0.091 0.000 0.988 361 V HN 0.028 nan 8.190 nan 0.000 0.473 362 V N 5.762 125.724 119.914 0.080 0.000 2.546 362 V HA 0.369 4.488 4.120 -0.001 0.000 0.284 362 V C 0.245 176.410 176.094 0.118 0.000 1.050 362 V CA -0.178 62.233 62.300 0.186 0.000 0.981 362 V CB 1.257 33.186 31.823 0.176 0.000 0.990 362 V HN 1.233 nan 8.190 nan 0.000 0.474 363 C N 7.001 126.375 119.300 0.122 0.000 2.285 363 C HA 0.442 4.901 4.460 -0.001 0.000 0.335 363 C C 1.359 176.375 174.990 0.043 0.000 1.267 363 C CA -0.668 58.393 59.018 0.071 0.000 1.762 363 C CB -0.389 27.395 27.740 0.074 0.000 2.365 363 C HN 0.997 nan 8.230 nan 0.000 0.527 364 L N 3.677 124.913 121.223 0.022 0.000 2.162 364 L HA 0.190 4.529 4.340 -0.001 0.000 0.205 364 L C 1.069 177.933 176.870 -0.010 0.000 1.086 364 L CA 0.903 55.740 54.840 -0.005 0.000 0.778 364 L CB -0.333 41.717 42.059 -0.015 0.000 0.928 364 L HN 0.807 nan 8.230 nan 0.000 0.446 365 E N -1.807 118.391 120.200 -0.003 0.000 2.442 365 E HA 0.375 4.724 4.350 -0.001 0.000 0.278 365 E C -2.876 173.724 176.600 0.000 0.000 1.082 365 E CA -2.128 54.269 56.400 -0.005 0.000 0.861 365 E CB 0.762 30.456 29.700 -0.010 0.000 1.462 365 E HN -0.290 nan 8.360 nan 0.000 0.458 366 P HA 0.200 nan 4.420 nan 0.000 0.276 366 P C 0.378 177.678 177.300 0.001 0.000 1.235 366 P CA 1.180 64.281 63.100 0.000 0.000 0.772 366 P CB 0.801 32.499 31.700 -0.003 0.000 0.871 367 G N 1.390 110.192 108.800 0.003 0.000 2.159 367 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.256 367 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.256 367 G C -0.175 174.724 174.900 -0.003 0.000 0.977 367 G CA -0.070 45.030 45.100 -0.001 0.000 0.652 367 G HN 0.519 nan 8.290 nan 0.000 0.531 368 V N -0.132 119.783 119.914 0.001 0.000 2.577 368 V HA 0.752 4.872 4.120 -0.001 0.000 0.303 368 V C -0.333 175.765 176.094 0.008 0.000 1.042 368 V CA -0.839 61.461 62.300 0.001 0.000 0.872 368 V CB 2.136 33.958 31.823 -0.002 0.000 0.998 368 V HN 0.373 nan 8.190 nan 0.000 0.423 369 V N 5.026 124.944 119.914 0.008 0.000 2.668 369 V HA 0.435 4.555 4.120 -0.001 0.000 0.304 369 V C -0.488 175.620 176.094 0.023 0.000 1.071 369 V CA -0.575 61.733 62.300 0.014 0.000 0.894 369 V CB 2.663 34.483 31.823 -0.004 0.000 1.008 369 V HN 0.640 nan 8.190 nan 0.000 0.425 370 V N 5.217 125.163 119.914 0.053 0.000 2.408 370 V HA 0.728 4.847 4.120 -0.001 0.000 0.267 370 V C 0.836 176.922 176.094 -0.014 0.000 1.047 370 V CA 0.452 62.801 62.300 0.080 0.000 0.937 370 V CB 0.827 32.806 31.823 0.259 0.000 0.999 370 V HN 0.968 nan 8.190 nan 0.000 0.472 371 G N 3.220 111.999 108.800 -0.035 0.000 3.108 371 G HA2 0.581 4.540 3.960 -0.001 0.000 0.268 371 G HA3 0.581 4.540 3.960 -0.001 0.000 0.268 371 G C -1.383 173.496 174.900 -0.036 0.000 1.361 371 G CA -0.741 44.297 45.100 -0.103 0.000 1.047 371 G HN 0.476 nan 8.290 nan 0.000 0.540 372 Y N 0.232 120.497 120.300 -0.058 0.000 2.334 372 Y HA 0.168 4.718 4.550 -0.001 0.000 0.328 372 Y C 1.455 177.333 175.900 -0.037 0.000 1.130 372 Y CA -0.767 57.301 58.100 -0.054 0.000 1.163 372 Y CB 2.043 40.469 38.460 -0.057 0.000 1.207 372 Y HN 0.709 nan 8.280 nan 0.000 0.471 373 D N 1.319 121.807 120.400 0.147 0.000 2.269 373 D HA -0.177 4.462 4.640 -0.001 0.000 0.208 373 D C 1.474 177.795 176.300 0.035 0.000 0.963 373 D CA 0.971 55.011 54.000 0.066 0.000 0.864 373 D CB -0.157 40.670 40.800 0.046 0.000 0.936 373 D HN 0.670 nan 8.370 nan 0.000 0.505 374 R N 0.071 120.580 120.500 0.014 0.000 2.236 374 R HA 0.075 4.414 4.340 -0.001 0.000 0.208 374 R C 0.262 176.557 176.300 -0.008 0.000 1.036 374 R CA 0.430 56.526 56.100 -0.006 0.000 1.001 374 R CB -0.554 29.723 30.300 -0.038 0.000 0.896 374 R HN -0.063 nan 8.270 nan 0.000 0.464 375 N N 2.183 120.885 118.700 0.003 0.000 3.250 375 N HA -0.004 4.735 4.740 -0.001 0.000 0.307 375 N C 0.319 175.824 175.510 -0.007 0.000 1.355 375 N CA 0.544 53.573 53.050 -0.035 0.000 1.192 375 N CB 1.106 39.561 38.487 -0.052 0.000 1.478 375 N HN 0.352 nan 8.380 nan 0.000 0.543 376 T N -2.036 112.528 114.554 0.017 0.000 2.665 376 T HA -0.269 4.080 4.350 -0.001 0.000 0.268 376 T C 1.728 176.468 174.700 0.066 0.000 1.035 376 T CA 0.948 63.070 62.100 0.037 0.000 1.151 376 T CB -0.543 68.353 68.868 0.046 0.000 0.862 376 T HN 0.328 nan 8.240 nan 0.000 0.438 377 Y N 2.766 123.030 120.300 -0.059 0.000 2.036 377 Y HA -0.180 4.369 4.550 -0.001 0.000 0.273 377 Y C 2.837 178.700 175.900 -0.061 0.000 1.135 377 Y CA 1.952 60.018 58.100 -0.057 0.000 1.106 377 Y CB -1.169 37.248 38.460 -0.072 0.000 0.976 377 Y HN 0.246 nan 8.280 nan 0.000 0.483 378 T N 1.247 115.724 114.554 -0.127 0.000 2.760 378 T HA -0.233 4.117 4.350 -0.001 0.000 0.269 378 T C 1.626 176.219 174.700 -0.179 0.000 1.047 378 T CA 1.628 63.596 62.100 -0.220 0.000 1.139 378 T CB -0.365 68.422 68.868 -0.135 0.000 0.855 378 T HN 0.380 nan 8.240 nan 0.000 0.471 379 N N 0.476 119.111 118.700 -0.108 0.000 2.188 379 N HA -0.033 4.706 4.740 -0.001 0.000 0.184 379 N C 2.074 177.529 175.510 -0.092 0.000 1.018 379 N CA 1.103 54.106 53.050 -0.079 0.000 0.858 379 N CB -0.590 37.875 38.487 -0.036 0.000 0.989 379 N HN 0.350 nan 8.380 nan 0.000 0.426 380 T N 1.597 116.085 114.554 -0.110 0.000 2.857 380 T HA 0.067 4.416 4.350 -0.001 0.000 0.266 380 T C 2.140 176.746 174.700 -0.158 0.000 1.048 380 T CA 0.393 62.429 62.100 -0.106 0.000 1.139 380 T CB -0.083 68.743 68.868 -0.070 0.000 0.874 380 T HN 0.098 nan 8.240 nan 0.000 0.455 381 L N 0.294 121.353 121.223 -0.272 0.000 1.994 381 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 381 L C 2.376 179.150 176.870 -0.160 0.000 1.071 381 L CA 0.859 55.537 54.840 -0.270 0.000 0.745 381 L CB -0.447 41.374 42.059 -0.396 0.000 0.892 381 L HN 0.207 nan 8.230 nan 0.000 0.431 382 L N -0.202 120.934 121.223 -0.145 0.000 2.013 382 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 382 L C 2.756 179.583 176.870 -0.072 0.000 1.073 382 L CA 1.806 56.587 54.840 -0.098 0.000 0.753 382 L CB -0.752 41.253 42.059 -0.090 0.000 0.890 382 L HN 0.172 nan 8.230 nan 0.000 0.432 383 R N -0.797 119.662 120.500 -0.070 0.000 2.096 383 R HA -0.163 4.177 4.340 -0.001 0.000 0.235 383 R C 2.216 178.489 176.300 -0.045 0.000 1.127 383 R CA 1.246 57.317 56.100 -0.048 0.000 0.968 383 R CB -0.305 29.971 30.300 -0.041 0.000 0.861 383 R HN 0.425 nan 8.270 nan 0.000 0.440 384 K N 0.589 120.953 120.400 -0.059 0.000 2.026 384 K HA -0.069 4.250 4.320 -0.001 0.000 0.208 384 K C 2.033 178.609 176.600 -0.041 0.000 1.048 384 K CA 1.372 57.630 56.287 -0.049 0.000 0.929 384 K CB -0.176 32.287 32.500 -0.062 0.000 0.713 384 K HN 0.113 nan 8.250 nan 0.000 0.439 385 A N 0.239 123.029 122.820 -0.050 0.000 2.225 385 A HA -0.010 4.309 4.320 -0.001 0.000 0.215 385 A C 1.537 179.105 177.584 -0.027 0.000 1.164 385 A CA 1.550 53.564 52.037 -0.038 0.000 0.710 385 A CB -0.556 18.416 19.000 -0.047 0.000 0.780 385 A HN 0.544 nan 8.150 nan 0.000 0.473 386 G N -2.564 106.219 108.800 -0.028 0.000 2.238 386 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.217 386 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.217 386 G C 0.285 175.173 174.900 -0.019 0.000 0.996 386 G CA -0.045 45.043 45.100 -0.020 0.000 0.632 386 G HN 0.786 nan 8.290 nan 0.000 0.503 387 V N 1.408 121.308 119.914 -0.024 0.000 3.096 387 V HA 0.405 4.525 4.120 -0.001 0.000 0.306 387 V C 0.802 176.884 176.094 -0.019 0.000 1.088 387 V CA 0.463 62.750 62.300 -0.021 0.000 1.129 387 V CB 1.679 33.486 31.823 -0.027 0.000 1.014 387 V HN 0.455 nan 8.190 nan 0.000 0.486 388 E N 2.170 122.362 120.200 -0.013 0.000 2.109 388 E HA 0.461 4.810 4.350 -0.001 0.000 0.278 388 E C -1.531 175.065 176.600 -0.007 0.000 0.954 388 E CA -0.537 55.857 56.400 -0.009 0.000 0.779 388 E CB 1.528 31.224 29.700 -0.006 0.000 1.093 388 E HN 0.492 nan 8.360 nan 0.000 0.401 389 V N 6.954 126.864 119.914 -0.007 0.000 2.313 389 V HA 0.326 4.445 4.120 -0.001 0.000 0.278 389 V C 0.138 176.238 176.094 0.010 0.000 1.017 389 V CA -0.622 61.676 62.300 -0.003 0.000 0.823 389 V CB 0.719 32.534 31.823 -0.013 0.000 1.010 389 V HN 0.659 nan 8.190 nan 0.000 0.443 390 I N 5.087 125.669 120.570 0.020 0.000 2.315 390 I HA 0.437 4.607 4.170 -0.001 0.000 0.291 390 I C 0.652 176.800 176.117 0.051 0.000 1.006 390 I CA -0.018 61.303 61.300 0.035 0.000 1.265 390 I CB 1.660 39.684 38.000 0.040 0.000 1.387 390 I HN 0.689 nan 8.210 nan 0.000 0.475 391 T N 5.107 119.694 114.554 0.055 0.000 2.888 391 T HA 0.794 5.143 4.350 -0.001 0.000 0.284 391 T C -0.274 174.482 174.700 0.093 0.000 1.017 391 T CA -0.759 61.383 62.100 0.070 0.000 1.022 391 T CB 2.111 71.017 68.868 0.063 0.000 1.013 391 T HN 0.520 nan 8.240 nan 0.000 0.465 392 I N -1.324 119.316 120.570 0.117 0.000 3.067 392 I HA 0.773 4.942 4.170 -0.001 0.000 0.312 392 I C -0.143 176.055 176.117 0.135 0.000 1.073 392 I CA -1.180 60.195 61.300 0.124 0.000 1.016 392 I CB 2.176 40.238 38.000 0.104 0.000 1.227 392 I HN 0.653 nan 8.210 nan 0.000 0.456 393 S N 1.544 117.293 115.700 0.082 0.000 2.513 393 S HA 0.597 5.066 4.470 -0.001 0.000 0.276 393 S C 0.614 175.163 174.600 -0.085 0.000 1.254 393 S CA -0.015 58.191 58.200 0.010 0.000 1.053 393 S CB 1.174 64.381 63.200 0.012 0.000 0.958 393 S HN 0.820 nan 8.310 nan 0.000 0.491 394 A N 4.148 126.788 122.820 -0.299 0.000 2.308 394 A HA 0.237 4.556 4.320 -0.001 0.000 0.217 394 A C 1.953 179.379 177.584 -0.264 0.000 1.216 394 A CA 0.357 52.023 52.037 -0.618 0.000 0.864 394 A CB -0.507 17.743 19.000 -1.250 0.000 0.902 394 A HN 0.801 nan 8.150 nan 0.000 0.499 395 S N 0.791 116.422 115.700 -0.116 0.000 2.368 395 S HA -0.194 4.275 4.470 -0.001 0.000 0.226 395 S C 1.542 176.158 174.600 0.027 0.000 1.044 395 S CA 1.907 60.096 58.200 -0.018 0.000 1.062 395 S CB -0.133 63.089 63.200 0.035 0.000 0.931 395 S HN 0.689 nan 8.310 nan 0.000 0.440 396 E N -0.485 119.738 120.200 0.038 0.000 2.434 396 E HA 0.251 4.600 4.350 -0.001 0.000 0.207 396 E C 1.547 178.214 176.600 0.110 0.000 0.929 396 E CA 0.057 56.514 56.400 0.094 0.000 1.001 396 E CB -0.064 29.692 29.700 0.093 0.000 1.016 396 E HN 0.314 nan 8.360 nan 0.000 0.502 397 L N 0.258 121.525 121.223 0.072 0.000 2.354 397 L HA 0.169 4.508 4.340 -0.001 0.000 0.212 397 L C 2.125 179.095 176.870 0.166 0.000 1.091 397 L CA 1.231 56.163 54.840 0.153 0.000 0.828 397 L CB -0.328 41.835 42.059 0.173 0.000 0.973 397 L HN 0.126 nan 8.230 nan 0.000 0.461 398 G N -1.099 107.664 108.800 -0.061 0.000 2.920 398 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.208 398 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.208 398 G C 1.102 176.003 174.900 0.002 0.000 1.159 398 G CA -0.271 44.737 45.100 -0.153 0.000 0.784 398 G HN 0.200 nan 8.290 nan 0.000 0.535 399 R N 0.766 121.301 120.500 0.058 0.000 4.792 399 R HA 0.313 4.652 4.340 -0.001 0.000 0.205 399 R C 0.861 177.195 176.300 0.057 0.000 1.875 399 R CA 0.322 56.465 56.100 0.071 0.000 1.588 399 R CB -0.080 30.292 30.300 0.120 0.000 1.401 399 R HN 0.221 nan 8.270 nan 0.000 0.834 400 G N 0.262 109.092 108.800 0.050 0.000 5.310 400 G HA2 0.012 3.971 3.960 -0.001 0.000 0.203 400 G HA3 0.012 3.971 3.960 -0.001 0.000 0.203 400 G C 0.276 175.148 174.900 -0.047 0.000 0.800 400 G CA -0.638 44.461 45.100 -0.002 0.000 0.754 400 G HN 0.421 nan 8.290 nan 0.000 0.308 401 R N -1.487 119.009 120.500 -0.006 0.000 4.052 401 R HA -0.244 4.095 4.340 -0.001 0.000 0.436 401 R C 1.312 177.628 176.300 0.025 0.000 0.976 401 R CA 1.987 58.086 56.100 -0.003 0.000 1.625 401 R CB -1.655 28.603 30.300 -0.070 0.000 2.267 401 R HN 0.968 nan 8.270 nan 0.000 0.525 402 G N -1.677 107.141 108.800 0.030 0.000 3.016 402 G HA2 0.724 4.683 3.960 -0.001 0.000 0.270 402 G HA3 0.724 4.683 3.960 -0.001 0.000 0.270 402 G C 0.058 175.089 174.900 0.218 0.000 1.352 402 G CA -0.257 44.865 45.100 0.037 0.000 1.060 402 G HN 0.281 nan 8.290 nan 0.000 0.538 403 G N -1.568 107.253 108.800 0.035 0.000 3.265 403 G HA2 0.478 4.437 3.960 -0.001 0.000 0.171 403 G HA3 0.478 4.437 3.960 -0.001 0.000 0.171 403 G C 1.179 175.919 174.900 -0.267 0.000 1.110 403 G CA 0.876 45.802 45.100 -0.291 0.000 0.855 403 G HN 1.180 nan 8.290 nan 0.000 0.658 404 G N -0.873 107.637 108.800 -0.484 0.000 2.459 404 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 404 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 404 G C 1.494 176.398 174.900 0.007 0.000 1.183 404 G CA 1.728 46.652 45.100 -0.293 0.000 0.776 404 G HN 0.556 nan 8.290 nan 0.000 0.552 405 H N -0.164 118.871 119.070 -0.060 0.000 2.253 405 H HA -0.132 4.423 4.556 -0.001 0.000 0.296 405 H C 2.725 178.089 175.328 0.061 0.000 1.074 405 H CA 1.744 57.802 56.048 0.016 0.000 1.263 405 H CB -0.360 29.401 29.762 -0.002 0.000 1.363 405 H HN 0.317 nan 8.280 nan 0.000 0.489 406 C N 0.871 120.258 119.300 0.144 0.000 2.403 406 C HA -0.178 4.282 4.460 -0.001 0.000 0.279 406 C C 2.786 177.936 174.990 0.267 0.000 1.269 406 C CA 0.916 60.014 59.018 0.135 0.000 1.774 406 C CB -0.993 26.771 27.740 0.039 0.000 1.993 406 C HN 0.555 nan 8.230 nan 0.000 0.496 407 M N 0.381 120.141 119.600 0.267 0.000 2.628 407 M HA 0.035 4.514 4.480 -0.001 0.000 0.232 407 M C 0.389 176.837 176.300 0.247 0.000 1.128 407 M CA 0.603 56.078 55.300 0.292 0.000 1.040 407 M CB -0.515 32.229 32.600 0.240 0.000 1.608 407 M HN 0.577 nan 8.290 nan 0.000 0.507 408 T N -2.985 111.663 114.554 0.157 0.000 2.912 408 T HA 0.363 4.713 4.350 -0.001 0.000 0.299 408 T C -1.007 173.713 174.700 0.032 0.000 1.052 408 T CA -0.984 61.177 62.100 0.101 0.000 0.996 408 T CB 2.268 71.186 68.868 0.084 0.000 1.070 408 T HN 0.181 nan 8.240 nan 0.000 0.465 409 C N 4.418 123.753 119.300 0.058 0.000 2.301 409 C HA 0.609 5.068 4.460 -0.001 0.000 0.313 409 C C -2.796 172.230 174.990 0.061 0.000 1.121 409 C CA -1.897 57.178 59.018 0.095 0.000 1.507 409 C CB -0.736 27.112 27.740 0.180 0.000 1.975 409 C HN 0.708 nan 8.230 nan 0.000 0.425 410 P HA 0.274 nan 4.420 nan 0.000 0.271 410 P C 0.383 177.568 177.300 -0.192 0.000 1.216 410 P CA 0.315 63.374 63.100 -0.069 0.000 0.771 410 P CB 0.618 32.283 31.700 -0.058 0.000 0.864 411 I N 1.177 121.496 120.570 -0.419 0.000 4.244 411 I HA 0.103 4.272 4.170 -0.001 0.000 0.318 411 I C 0.097 175.819 176.117 -0.659 0.000 1.282 411 I CA 0.348 61.061 61.300 -0.978 0.000 1.276 411 I CB 0.598 38.040 38.000 -0.929 0.000 1.183 411 I HN 0.010 nan 8.210 nan 0.000 0.431 412 V N 2.885 122.593 119.914 -0.343 0.000 2.516 412 V HA 0.344 4.463 4.120 -0.001 0.000 0.271 412 V C -0.596 175.435 176.094 -0.104 0.000 0.992 412 V CA -0.504 61.672 62.300 -0.205 0.000 0.857 412 V CB 1.707 33.432 31.823 -0.163 0.000 1.047 412 V HN 0.199 nan 8.190 nan 0.000 0.455 413 R N 2.229 122.687 120.500 -0.070 0.000 2.637 413 R HA 0.543 4.883 4.340 -0.001 0.000 0.291 413 R C -0.893 175.462 176.300 0.092 0.000 0.963 413 R CA -0.684 55.409 56.100 -0.011 0.000 0.901 413 R CB 1.617 31.899 30.300 -0.030 0.000 1.160 413 R HN 0.510 nan 8.270 nan 0.000 0.457 414 D N 4.716 125.164 120.400 0.080 0.000 2.362 414 D HA 0.184 4.823 4.640 -0.001 0.000 0.242 414 D C -1.939 174.436 176.300 0.124 0.000 1.132 414 D CA -1.132 52.932 54.000 0.107 0.000 0.907 414 D CB 1.047 41.874 40.800 0.045 0.000 1.195 414 D HN 0.358 nan 8.370 nan 0.000 0.429 415 P HA 0.296 nan 4.420 nan 0.000 0.306 415 P C 0.341 177.671 177.300 0.051 0.000 1.309 415 P CA -0.290 62.884 63.100 0.123 0.000 0.759 415 P CB 1.445 33.207 31.700 0.104 0.000 1.314 416 I N -1.773 118.818 120.570 0.034 0.000 3.818 416 I HA 0.128 4.297 4.170 -0.001 0.000 0.242 416 I C 0.746 176.866 176.117 0.005 0.000 1.111 416 I CA -0.004 61.302 61.300 0.009 0.000 1.576 416 I CB -0.975 37.020 38.000 -0.008 0.000 1.572 416 I HN 0.143 nan 8.210 nan 0.000 0.450 417 D N 0.000 120.403 120.400 0.005 0.000 6.856 417 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 417 D CA 0.000 54.001 54.000 0.001 0.000 0.868 417 D CB 0.000 40.802 40.800 0.003 0.000 0.688 417 D HN 0.000 nan 8.370 nan 0.000 0.683