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 1psi_1_A DATA FIRST_RESID 23 DATA SEQUENCE FNKITPNLAE FAFSLYRQLA HQSNSTNILF SPVSIATAFA MLSLGTKADT DATA SEQUENCE HDEILEGLNF NLTEIPEAQI HEGFQELLRT LNQPDSQLQL TTGNGLFLSE DATA SEQUENCE GLKLVDKFLE DVKKLYHSEA FTVNFGDTEE AKKQINDYVE KGTQGKIVDL DATA SEQUENCE VKELDRDTVF ALVNYIFFKG KWERPFEVKD TEEEDFHVDQ VTTVKVPMMK DATA SEQUENCE RLGMFNIQHX KKLSSWVLLM KYLGNATAIF FLPDEGKLQH LENELTHDII DATA SEQUENCE TKFLENEDRR SASLHLPKLS ITGTYDLKSV LGQLGITKVF SNGADLSGVT DATA SEQUENCE EEAPLKLSKA VHKAVLTIDE KGTEAAGAMF LEAIPMSIPP EVKFNKPFVF DATA SEQUENCE LMIEQNTKSP LFMGKVVNPT QK 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 23 F HA 0.000 nan 4.527 nan 0.000 0.279 23 F C 0.000 175.814 175.800 0.023 0.000 0.967 23 F CA 0.000 58.014 58.000 0.023 0.000 1.383 23 F CB 0.000 39.008 39.000 0.014 0.000 1.145 24 N N 1.100 119.932 118.700 0.221 0.000 2.357 24 N HA 0.471 5.213 4.740 0.004 0.000 0.284 24 N C -0.736 174.868 175.510 0.158 0.000 1.236 24 N CA -0.772 52.343 53.050 0.107 0.000 0.774 24 N CB 3.036 41.579 38.487 0.094 0.000 1.534 24 N HN 0.909 nan 8.380 nan 0.000 0.478 25 K N -0.028 120.417 120.400 0.075 0.000 2.988 25 K HA 0.291 4.613 4.320 0.004 0.000 0.198 25 K C 0.962 177.564 176.600 0.002 0.000 1.634 25 K CA 0.163 56.484 56.287 0.057 0.000 1.307 25 K CB 0.483 33.028 32.500 0.075 0.000 1.949 25 K HN 0.589 nan 8.250 nan 0.000 0.596 26 I N -0.996 119.540 120.570 -0.057 0.000 4.327 26 I HA 0.208 4.380 4.170 0.004 0.000 0.331 26 I C 1.543 177.551 176.117 -0.182 0.000 1.348 26 I CA 0.323 61.579 61.300 -0.073 0.000 1.152 26 I CB 0.626 38.562 38.000 -0.107 0.000 1.151 26 I HN 0.069 nan 8.210 nan 0.000 0.410 27 T N 0.589 115.037 114.554 -0.177 0.000 2.737 27 T HA -0.018 4.335 4.350 0.004 0.000 0.269 27 T C -0.093 174.358 174.700 -0.415 0.000 1.040 27 T CA 1.682 63.636 62.100 -0.244 0.000 1.142 27 T CB -1.982 66.780 68.868 -0.176 0.000 0.861 27 T HN 0.307 nan 8.240 nan 0.000 0.456 28 P HA -0.035 nan 4.420 nan 0.000 0.218 28 P C 1.271 178.336 177.300 -0.393 0.000 1.149 28 P CA 0.988 63.761 63.100 -0.544 0.000 0.817 28 P CB -0.203 31.395 31.700 -0.170 0.000 0.785 29 N N -0.068 118.405 118.700 -0.378 0.000 2.216 29 N HA -0.025 4.717 4.740 0.004 0.000 0.183 29 N C 1.955 177.182 175.510 -0.470 0.000 1.017 29 N CA 0.914 53.638 53.050 -0.543 0.000 0.861 29 N CB -0.409 37.475 38.487 -1.004 0.000 0.986 29 N HN 0.236 nan 8.380 nan 0.000 0.428 30 L N 0.876 121.889 121.223 -0.349 0.000 2.156 30 L HA -0.017 4.326 4.340 0.004 0.000 0.208 30 L C 2.547 179.330 176.870 -0.145 0.000 1.095 30 L CA 0.489 55.251 54.840 -0.129 0.000 0.770 30 L CB -0.405 41.608 42.059 -0.077 0.000 0.914 30 L HN 0.085 nan 8.230 nan 0.000 0.439 31 A N 0.129 122.734 122.820 -0.358 0.000 1.845 31 A HA -0.189 4.134 4.320 0.004 0.000 0.215 31 A C 2.133 179.300 177.584 -0.694 0.000 1.195 31 A CA 1.458 53.146 52.037 -0.582 0.000 0.616 31 A CB -0.401 18.229 19.000 -0.618 0.000 0.832 31 A HN 0.318 nan 8.150 nan 0.000 0.443 32 E N -0.828 119.170 120.200 -0.337 0.000 2.265 32 E HA -0.156 4.197 4.350 0.004 0.000 0.196 32 E C 1.598 178.169 176.600 -0.049 0.000 0.996 32 E CA 0.889 57.233 56.400 -0.095 0.000 0.832 32 E CB -0.461 29.235 29.700 -0.006 0.000 0.756 32 E HN 0.718 nan 8.360 nan 0.000 0.491 33 F N 1.545 121.361 119.950 -0.224 0.000 2.163 33 F HA 0.002 4.529 4.527 -0.001 0.000 0.297 33 F C 2.196 177.942 175.800 -0.091 0.000 1.094 33 F CA 1.205 59.116 58.000 -0.148 0.000 1.290 33 F CB -0.412 38.497 39.000 -0.152 0.000 1.017 33 F HN -0.027 nan 8.300 nan 0.000 0.483 34 A N 0.258 122.870 122.820 -0.348 0.000 1.902 34 A HA -0.142 4.181 4.320 0.004 0.000 0.217 34 A C 2.053 179.628 177.584 -0.016 0.000 1.181 34 A CA 1.736 53.626 52.037 -0.246 0.000 0.623 34 A CB -1.418 17.408 19.000 -0.291 0.000 0.818 34 A HN 0.407 nan 8.150 nan 0.000 0.443 35 F N -0.001 119.941 119.950 -0.014 0.000 2.146 35 F HA -0.057 4.467 4.527 -0.005 0.000 0.298 35 F C 2.917 178.735 175.800 0.029 0.000 1.096 35 F CA 0.807 58.825 58.000 0.030 0.000 1.275 35 F CB -1.191 37.802 39.000 -0.011 0.000 1.008 35 F HN 0.244 nan 8.300 nan 0.000 0.480 36 S N 0.219 115.981 115.700 0.104 0.000 2.356 36 S HA -0.166 4.306 4.470 0.004 0.000 0.223 36 S C 2.091 176.610 174.600 -0.136 0.000 1.032 36 S CA 0.970 59.165 58.200 -0.008 0.000 1.005 36 S CB -0.598 62.581 63.200 -0.035 0.000 0.867 36 S HN 0.249 nan 8.310 nan 0.000 0.449 37 L N 0.490 121.504 121.223 -0.348 0.000 2.275 37 L HA 0.059 4.402 4.340 0.004 0.000 0.215 37 L C 1.799 178.352 176.870 -0.528 0.000 1.119 37 L CA 1.618 56.092 54.840 -0.609 0.000 0.790 37 L CB -0.787 40.611 42.059 -1.102 0.000 0.919 37 L HN 0.532 nan 8.230 nan 0.000 0.443 38 Y N 0.132 120.323 120.300 -0.181 0.000 2.153 38 Y HA -0.110 4.441 4.550 0.002 0.000 0.289 38 Y C 2.582 178.497 175.900 0.025 0.000 1.119 38 Y CA 1.439 59.590 58.100 0.086 0.000 1.116 38 Y CB -0.145 38.498 38.460 0.306 0.000 1.004 38 Y HN 0.025 nan 8.280 nan 0.000 0.501 39 R N 0.023 120.607 120.500 0.140 0.000 2.200 39 R HA -0.227 4.115 4.340 0.004 0.000 0.234 39 R C 2.146 178.468 176.300 0.037 0.000 1.127 39 R CA 1.432 57.603 56.100 0.117 0.000 0.989 39 R CB -0.302 30.110 30.300 0.187 0.000 0.869 39 R HN 0.400 nan 8.270 nan 0.000 0.459 40 Q N 1.210 120.957 119.800 -0.088 0.000 1.990 40 Q HA -0.082 4.261 4.340 0.004 0.000 0.200 40 Q C 1.865 177.781 176.000 -0.139 0.000 0.980 40 Q CA 1.605 57.331 55.803 -0.129 0.000 0.832 40 Q CB -0.135 28.471 28.738 -0.220 0.000 0.897 40 Q HN 0.340 nan 8.270 nan 0.000 0.427 41 L N -0.232 120.845 121.223 -0.244 0.000 2.179 41 L HA 0.070 4.412 4.340 0.004 0.000 0.208 41 L C 2.325 179.087 176.870 -0.181 0.000 1.096 41 L CA 0.735 55.450 54.840 -0.208 0.000 0.779 41 L CB -0.581 41.300 42.059 -0.297 0.000 0.922 41 L HN 0.272 nan 8.230 nan 0.000 0.443 42 A N -0.730 121.906 122.820 -0.306 0.000 2.015 42 A HA -0.187 4.136 4.320 0.004 0.000 0.219 42 A C 1.898 179.368 177.584 -0.190 0.000 1.163 42 A CA 1.370 53.220 52.037 -0.313 0.000 0.646 42 A CB -0.516 18.183 19.000 -0.501 0.000 0.806 42 A HN 0.391 nan 8.150 nan 0.000 0.448 43 H N -1.214 117.789 119.070 -0.111 0.000 2.287 43 H HA -0.022 4.537 4.556 0.004 0.000 0.309 43 H C 2.259 177.559 175.328 -0.047 0.000 1.059 43 H CA 1.528 57.540 56.048 -0.060 0.000 1.357 43 H CB -0.196 29.534 29.762 -0.053 0.000 1.409 43 H HN 0.607 nan 8.280 nan 0.000 0.515 44 Q N 0.599 120.450 119.800 0.084 0.000 1.935 44 Q HA -0.163 4.179 4.340 0.004 0.000 0.212 44 Q C 0.767 176.779 176.000 0.020 0.000 1.008 44 Q CA 1.652 57.474 55.803 0.032 0.000 0.868 44 Q CB -0.389 28.350 28.738 0.002 0.000 0.946 44 Q HN 0.289 nan 8.270 nan 0.000 0.418 45 S N 0.164 115.870 115.700 0.010 0.000 2.549 45 S HA 0.037 4.510 4.470 0.004 0.000 0.279 45 S C 0.300 174.901 174.600 0.001 0.000 1.321 45 S CA -0.102 58.108 58.200 0.018 0.000 1.054 45 S CB 0.469 63.695 63.200 0.044 0.000 0.899 45 S HN 0.588 nan 8.310 nan 0.000 0.497 46 N N 2.512 121.217 118.700 0.009 0.000 2.646 46 N HA 0.126 4.868 4.740 0.004 0.000 0.214 46 N C 0.183 175.702 175.510 0.015 0.000 1.042 46 N CA -0.006 53.045 53.050 0.002 0.000 0.925 46 N CB -0.061 38.430 38.487 0.006 0.000 1.383 46 N HN 0.323 nan 8.380 nan 0.000 0.439 47 S N -0.011 115.705 115.700 0.026 0.000 2.312 47 S HA 0.452 4.925 4.470 0.004 0.000 0.211 47 S C -0.938 173.686 174.600 0.041 0.000 1.315 47 S CA -0.393 57.829 58.200 0.037 0.000 1.267 47 S CB -0.315 62.907 63.200 0.036 0.000 1.072 47 S HN 0.277 nan 8.310 nan 0.000 0.490 48 T N 2.362 116.945 114.554 0.049 0.000 2.900 48 T HA 0.372 4.725 4.350 0.004 0.000 0.295 48 T C -0.400 174.351 174.700 0.086 0.000 1.044 48 T CA -0.873 61.263 62.100 0.059 0.000 0.995 48 T CB 1.051 69.956 68.868 0.062 0.000 1.072 48 T HN 0.209 nan 8.240 nan 0.000 0.473 49 N N 2.105 120.859 118.700 0.090 0.000 2.513 49 N HA 0.310 5.052 4.740 0.004 0.000 0.268 49 N C -0.538 175.091 175.510 0.199 0.000 1.180 49 N CA 0.078 53.205 53.050 0.129 0.000 0.948 49 N CB 0.720 39.272 38.487 0.108 0.000 1.083 49 N HN 0.497 nan 8.380 nan 0.000 0.455 50 I N 1.861 122.586 120.570 0.258 0.000 2.441 50 I HA 0.385 4.557 4.170 0.004 0.000 0.295 50 I C -0.566 175.799 176.117 0.412 0.000 0.994 50 I CA -0.850 60.672 61.300 0.369 0.000 1.144 50 I CB 1.652 39.816 38.000 0.274 0.000 1.314 50 I HN 0.166 nan 8.210 nan 0.000 0.445 51 L N 8.452 130.026 121.223 0.585 0.000 2.639 51 L HA 0.562 4.904 4.340 0.004 0.000 0.264 51 L C -1.554 175.751 176.870 0.726 0.000 0.948 51 L CA -0.165 54.982 54.840 0.512 0.000 0.912 51 L CB 1.401 43.748 42.059 0.480 0.000 1.294 51 L HN 0.505 nan 8.230 nan 0.000 0.412 52 F N 1.502 121.680 119.950 0.380 0.000 2.645 52 F HA 0.786 5.314 4.527 0.001 0.000 0.310 52 F C -0.684 175.179 175.800 0.104 0.000 1.102 52 F CA -1.091 57.080 58.000 0.284 0.000 0.952 52 F CB 1.690 40.628 39.000 -0.104 0.000 1.326 52 F HN 0.312 nan 8.300 nan 0.000 0.456 53 S N 2.135 117.941 115.700 0.177 0.000 2.423 53 S HA 0.464 4.936 4.470 0.004 0.000 0.317 53 S C -2.067 172.563 174.600 0.051 0.000 1.065 53 S CA -1.533 56.589 58.200 -0.130 0.000 1.111 53 S CB 0.933 64.025 63.200 -0.180 0.000 0.968 53 S HN 0.522 nan 8.310 nan 0.000 0.474 54 P HA -0.057 nan 4.420 nan 0.000 0.220 54 P C 1.286 178.772 177.300 0.311 0.000 1.148 54 P CA 0.495 63.751 63.100 0.261 0.000 0.803 54 P CB 0.222 32.000 31.700 0.130 0.000 0.782 55 V N 0.189 120.186 119.914 0.138 0.000 2.302 55 V HA -0.201 3.921 4.120 0.004 0.000 0.243 55 V C 2.575 178.767 176.094 0.163 0.000 1.036 55 V CA 2.419 64.811 62.300 0.153 0.000 1.020 55 V CB -1.540 30.315 31.823 0.053 0.000 0.657 55 V HN 0.243 nan 8.190 nan 0.000 0.453 56 S N 0.235 115.998 115.700 0.106 0.000 2.370 56 S HA -0.197 4.276 4.470 0.004 0.000 0.226 56 S C 1.976 176.688 174.600 0.187 0.000 1.033 56 S CA 1.843 60.127 58.200 0.141 0.000 1.011 56 S CB -0.706 62.598 63.200 0.173 0.000 0.852 56 S HN 0.498 nan 8.310 nan 0.000 0.457 57 I N 2.414 123.093 120.570 0.183 0.000 2.113 57 I HA -0.158 4.014 4.170 0.004 0.000 0.238 57 I C 3.184 179.437 176.117 0.227 0.000 1.070 57 I CA 1.230 62.659 61.300 0.215 0.000 1.332 57 I CB -0.947 37.141 38.000 0.146 0.000 1.044 57 I HN 0.451 nan 8.210 nan 0.000 0.402 58 A N 0.681 123.601 122.820 0.166 0.000 1.859 58 A HA -0.260 4.063 4.320 0.004 0.000 0.217 58 A C 2.359 179.823 177.584 -0.200 0.000 1.198 58 A CA 2.850 54.860 52.037 -0.044 0.000 0.629 58 A CB -1.412 17.617 19.000 0.049 0.000 0.830 58 A HN 0.433 nan 8.150 nan 0.000 0.446 59 T N 0.402 114.868 114.554 -0.146 0.000 2.760 59 T HA -0.118 4.234 4.350 0.004 0.000 0.269 59 T C 2.026 176.637 174.700 -0.149 0.000 1.047 59 T CA 1.722 63.659 62.100 -0.271 0.000 1.139 59 T CB -0.463 68.475 68.868 0.118 0.000 0.855 59 T HN 0.651 nan 8.240 nan 0.000 0.471 60 A N 0.626 123.427 122.820 -0.032 0.000 1.872 60 A HA 0.122 4.445 4.320 0.004 0.000 0.214 60 A C 1.847 179.331 177.584 -0.167 0.000 1.187 60 A CA 0.967 52.979 52.037 -0.041 0.000 0.614 60 A CB -0.770 18.290 19.000 0.100 0.000 0.826 60 A HN 0.471 nan 8.150 nan 0.000 0.442 61 F N -0.251 119.607 119.950 -0.152 0.000 2.710 61 F HA 0.182 4.713 4.527 0.006 0.000 0.298 61 F C 2.445 178.107 175.800 -0.230 0.000 1.137 61 F CA 0.559 58.469 58.000 -0.150 0.000 1.444 61 F CB 0.073 39.018 39.000 -0.091 0.000 1.111 61 F HN 0.265 nan 8.300 nan 0.000 0.580 62 A N -0.450 122.219 122.820 -0.252 0.000 1.975 62 A HA -0.069 4.254 4.320 0.004 0.000 0.215 62 A C 2.187 179.520 177.584 -0.418 0.000 1.170 62 A CA 0.833 52.670 52.037 -0.334 0.000 0.656 62 A CB -0.487 18.020 19.000 -0.822 0.000 0.821 62 A HN 0.355 nan 8.150 nan 0.000 0.449 63 M N -0.787 118.376 119.600 -0.728 0.000 2.288 63 M HA -0.010 4.473 4.480 0.004 0.000 0.266 63 M C 1.851 177.904 176.300 -0.411 0.000 1.072 63 M CA 1.512 56.169 55.300 -1.071 0.000 1.132 63 M CB -0.130 31.907 32.600 -0.938 0.000 1.386 63 M HN 0.359 nan 8.290 nan 0.000 0.432 64 L N 0.730 121.802 121.223 -0.252 0.000 2.240 64 L HA -0.044 4.299 4.340 0.004 0.000 0.211 64 L C 2.467 179.305 176.870 -0.054 0.000 1.106 64 L CA 1.899 56.687 54.840 -0.087 0.000 0.793 64 L CB -0.559 41.310 42.059 -0.317 0.000 0.927 64 L HN 0.496 nan 8.230 nan 0.000 0.446 65 S N -0.997 114.677 115.700 -0.043 0.000 2.442 65 S HA -0.158 4.315 4.470 0.004 0.000 0.236 65 S C 1.898 176.601 174.600 0.171 0.000 1.007 65 S CA 1.175 59.441 58.200 0.109 0.000 0.965 65 S CB -0.927 62.333 63.200 0.100 0.000 0.773 65 S HN 0.539 nan 8.310 nan 0.000 0.504 66 L N 0.814 122.044 121.223 0.012 0.000 2.275 66 L HA 0.107 4.450 4.340 0.004 0.000 0.215 66 L C 2.493 179.353 176.870 -0.017 0.000 1.119 66 L CA 0.962 55.781 54.840 -0.035 0.000 0.790 66 L CB -0.677 41.317 42.059 -0.109 0.000 0.919 66 L HN 0.560 nan 8.230 nan 0.000 0.443 67 G N -0.833 107.880 108.800 -0.145 0.000 3.126 67 G HA2 0.056 4.019 3.960 0.004 0.000 0.224 67 G HA3 0.056 4.019 3.960 0.004 0.000 0.224 67 G C 0.595 175.303 174.900 -0.320 0.000 1.142 67 G CA 0.351 45.140 45.100 -0.519 0.000 0.759 67 G HN 0.329 nan 8.290 nan 0.000 0.550 68 T N -1.871 112.599 114.554 -0.140 0.000 2.945 68 T HA 0.739 5.092 4.350 0.004 0.000 0.286 68 T C -0.535 174.125 174.700 -0.068 0.000 1.025 68 T CA -0.730 61.332 62.100 -0.064 0.000 1.039 68 T CB 2.816 71.710 68.868 0.043 0.000 1.068 68 T HN 0.012 nan 8.240 nan 0.000 0.497 69 K N 0.257 120.631 120.400 -0.045 0.000 2.444 69 K HA 0.705 5.028 4.320 0.004 0.000 0.252 69 K C 0.339 176.939 176.600 0.001 0.000 0.993 69 K CA -0.590 55.651 56.287 -0.076 0.000 0.847 69 K CB 2.083 34.531 32.500 -0.087 0.000 1.340 69 K HN 1.057 nan 8.250 nan 0.000 0.446 70 A N 1.153 123.969 122.820 -0.007 0.000 5.798 70 A HA -0.321 4.002 4.320 0.004 0.000 0.300 70 A C 0.848 178.480 177.584 0.080 0.000 1.909 70 A CA 1.535 53.592 52.037 0.032 0.000 0.724 70 A CB -1.677 17.328 19.000 0.009 0.000 1.265 70 A HN 0.970 nan 8.150 nan 0.000 0.385 71 D N -0.974 119.457 120.400 0.052 0.000 2.157 71 D HA -0.141 4.501 4.640 0.004 0.000 0.191 71 D C 1.920 178.255 176.300 0.057 0.000 1.004 71 D CA 2.299 56.329 54.000 0.051 0.000 0.854 71 D CB -1.081 39.739 40.800 0.033 0.000 0.936 71 D HN 0.722 nan 8.370 nan 0.000 0.446 72 T N -0.054 114.531 114.554 0.051 0.000 2.699 72 T HA -0.235 4.117 4.350 0.004 0.000 0.268 72 T C 1.723 176.462 174.700 0.065 0.000 1.036 72 T CA 1.621 63.746 62.100 0.042 0.000 1.147 72 T CB -0.367 68.512 68.868 0.017 0.000 0.862 72 T HN 0.400 nan 8.240 nan 0.000 0.446 73 H N 1.139 120.203 119.070 -0.011 0.000 2.294 73 H HA -0.054 4.505 4.556 0.005 0.000 0.306 73 H C 1.722 177.060 175.328 0.016 0.000 1.065 73 H CA 1.493 57.539 56.048 -0.003 0.000 1.343 73 H CB -0.230 29.526 29.762 -0.011 0.000 1.396 73 H HN 0.171 nan 8.280 nan 0.000 0.506 74 D N 0.737 121.152 120.400 0.025 0.000 2.190 74 D HA -0.169 4.474 4.640 0.004 0.000 0.200 74 D C 2.107 178.373 176.300 -0.056 0.000 0.992 74 D CA 1.093 55.075 54.000 -0.029 0.000 0.854 74 D CB -0.327 40.520 40.800 0.079 0.000 0.936 74 D HN 0.612 nan 8.370 nan 0.000 0.462 75 E N -0.031 120.158 120.200 -0.018 0.000 2.106 75 E HA -0.120 4.232 4.350 0.004 0.000 0.192 75 E C 2.185 178.780 176.600 -0.008 0.000 0.984 75 E CA 0.480 56.882 56.400 0.003 0.000 0.806 75 E CB 0.034 29.752 29.700 0.030 0.000 0.750 75 E HN 0.259 nan 8.360 nan 0.000 0.458 76 I N 0.771 121.317 120.570 -0.039 0.000 2.133 76 I HA -0.287 3.886 4.170 0.004 0.000 0.238 76 I C 2.430 178.519 176.117 -0.047 0.000 1.074 76 I CA 0.880 62.172 61.300 -0.013 0.000 1.342 76 I CB -0.299 37.713 38.000 0.019 0.000 1.053 76 I HN 0.196 nan 8.210 nan 0.000 0.404 77 L N 0.368 121.502 121.223 -0.147 0.000 2.042 77 L HA -0.232 4.110 4.340 0.004 0.000 0.210 77 L C 2.457 179.384 176.870 0.095 0.000 1.076 77 L CA 1.603 56.394 54.840 -0.082 0.000 0.749 77 L CB -0.686 41.223 42.059 -0.250 0.000 0.893 77 L HN 0.298 nan 8.230 nan 0.000 0.432 78 E N -0.054 120.166 120.200 0.033 0.000 2.150 78 E HA -0.135 4.218 4.350 0.004 0.000 0.193 78 E C 2.210 178.842 176.600 0.053 0.000 0.985 78 E CA 0.858 57.295 56.400 0.061 0.000 0.814 78 E CB -0.198 29.522 29.700 0.034 0.000 0.752 78 E HN 0.551 nan 8.360 nan 0.000 0.466 79 G N 0.836 109.656 108.800 0.033 0.000 2.448 79 G HA2 -0.167 3.796 3.960 0.004 0.000 0.218 79 G HA3 -0.167 3.796 3.960 0.004 0.000 0.218 79 G C 1.269 176.190 174.900 0.035 0.000 1.135 79 G CA 0.151 45.270 45.100 0.031 0.000 0.784 79 G HN 0.116 nan 8.290 nan 0.000 0.543 80 L N 0.508 121.722 121.223 -0.016 0.000 2.672 80 L HA 0.213 4.555 4.340 0.004 0.000 0.236 80 L C 0.487 177.251 176.870 -0.177 0.000 1.186 80 L CA -0.282 54.417 54.840 -0.235 0.000 0.977 80 L CB -0.529 41.469 42.059 -0.101 0.000 1.203 80 L HN 0.196 nan 8.230 nan 0.000 0.448 81 N N 0.590 119.263 118.700 -0.045 0.000 2.756 81 N HA -0.196 4.547 4.740 0.004 0.000 0.248 81 N C -0.949 174.343 175.510 -0.364 0.000 1.062 81 N CA 0.724 53.691 53.050 -0.137 0.000 0.696 81 N CB -0.863 37.564 38.487 -0.099 0.000 0.946 81 N HN 0.159 nan 8.380 nan 0.000 0.548 82 F N 0.689 120.619 119.950 -0.032 0.000 2.460 82 F HA 0.260 4.793 4.527 0.010 0.000 0.341 82 F C 0.749 176.533 175.800 -0.026 0.000 1.130 82 F CA -0.962 57.016 58.000 -0.036 0.000 0.962 82 F CB 1.106 40.076 39.000 -0.050 0.000 1.171 82 F HN -0.109 nan 8.300 nan 0.000 0.436 83 N N 4.722 123.505 118.700 0.139 0.000 2.448 83 N HA 0.136 4.878 4.740 0.004 0.000 0.250 83 N C 0.935 176.503 175.510 0.096 0.000 1.136 83 N CA 0.200 53.302 53.050 0.087 0.000 0.953 83 N CB 0.420 38.938 38.487 0.051 0.000 1.251 83 N HN 0.732 nan 8.380 nan 0.000 0.502 84 L N 1.529 122.803 121.223 0.084 0.000 2.261 84 L HA -0.178 4.164 4.340 0.004 0.000 0.216 84 L C 1.970 178.870 176.870 0.051 0.000 1.114 84 L CA 1.408 56.286 54.840 0.063 0.000 0.777 84 L CB -0.708 41.383 42.059 0.053 0.000 0.910 84 L HN 0.561 nan 8.230 nan 0.000 0.440 85 T N -4.585 109.996 114.554 0.046 0.000 3.088 85 T HA -0.019 4.333 4.350 0.004 0.000 0.259 85 T C 1.406 176.127 174.700 0.034 0.000 1.122 85 T CA 0.538 62.660 62.100 0.036 0.000 1.095 85 T CB 0.111 68.997 68.868 0.030 0.000 0.930 85 T HN 0.431 nan 8.240 nan 0.000 0.508 86 E N -0.050 120.175 120.200 0.041 0.000 2.399 86 E HA 0.400 4.752 4.350 0.004 0.000 0.205 86 E C 0.144 176.769 176.600 0.042 0.000 0.906 86 E CA -0.134 56.289 56.400 0.038 0.000 0.998 86 E CB 0.888 30.610 29.700 0.036 0.000 1.002 86 E HN 0.455 nan 8.360 nan 0.000 0.501 87 I N 2.870 123.474 120.570 0.055 0.000 2.389 87 I HA 0.279 4.451 4.170 0.004 0.000 0.288 87 I C -2.633 173.503 176.117 0.031 0.000 0.999 87 I CA -2.938 58.394 61.300 0.054 0.000 1.129 87 I CB 1.609 39.666 38.000 0.096 0.000 1.288 87 I HN -0.238 nan 8.210 nan 0.000 0.444 88 P HA 0.083 nan 4.420 nan 0.000 0.267 88 P C 0.019 177.310 177.300 -0.015 0.000 1.205 88 P CA 0.162 63.269 63.100 0.011 0.000 0.765 88 P CB 0.632 32.341 31.700 0.015 0.000 0.828 89 E N 2.474 122.667 120.200 -0.012 0.000 2.160 89 E HA -0.218 4.134 4.350 0.004 0.000 0.195 89 E C 1.929 178.502 176.600 -0.045 0.000 0.991 89 E CA 1.534 57.895 56.400 -0.066 0.000 0.810 89 E CB -0.263 29.464 29.700 0.045 0.000 0.742 89 E HN 0.550 nan 8.360 nan 0.000 0.466 90 A N 1.101 123.945 122.820 0.039 0.000 1.978 90 A HA -0.259 4.064 4.320 0.004 0.000 0.220 90 A C 2.022 179.633 177.584 0.045 0.000 1.170 90 A CA 1.354 53.439 52.037 0.079 0.000 0.636 90 A CB -0.292 18.741 19.000 0.056 0.000 0.810 90 A HN 0.200 nan 8.150 nan 0.000 0.448 91 Q N -0.879 118.919 119.800 -0.004 0.000 2.187 91 Q HA 0.031 4.373 4.340 0.004 0.000 0.199 91 Q C 1.973 177.937 176.000 -0.061 0.000 0.957 91 Q CA 0.840 56.634 55.803 -0.014 0.000 0.857 91 Q CB -0.147 28.588 28.738 -0.005 0.000 0.929 91 Q HN 0.759 nan 8.270 nan 0.000 0.453 92 I N 0.275 120.743 120.570 -0.170 0.000 2.142 92 I HA -0.304 3.868 4.170 0.004 0.000 0.240 92 I C 2.128 178.175 176.117 -0.117 0.000 1.078 92 I CA 1.124 62.216 61.300 -0.346 0.000 1.343 92 I CB -0.393 37.166 38.000 -0.735 0.000 1.046 92 I HN 0.290 nan 8.210 nan 0.000 0.405 93 H N 0.219 119.365 119.070 0.125 0.000 2.389 93 H HA -0.156 4.404 4.556 0.007 0.000 0.299 93 H C 2.039 177.441 175.328 0.123 0.000 1.081 93 H CA 1.422 57.623 56.048 0.256 0.000 1.345 93 H CB -0.343 29.554 29.762 0.225 0.000 1.393 93 H HN 0.459 nan 8.280 nan 0.000 0.520 94 E N 0.752 121.040 120.200 0.147 0.000 2.110 94 E HA -0.116 4.236 4.350 0.004 0.000 0.193 94 E C 2.447 179.058 176.600 0.018 0.000 0.988 94 E CA 0.935 57.370 56.400 0.058 0.000 0.804 94 E CB -0.169 29.553 29.700 0.037 0.000 0.745 94 E HN 0.451 nan 8.360 nan 0.000 0.458 95 G N 0.035 108.827 108.800 -0.013 0.000 2.402 95 G HA2 -0.239 3.723 3.960 0.004 0.000 0.216 95 G HA3 -0.239 3.723 3.960 0.004 0.000 0.216 95 G C 1.220 176.047 174.900 -0.122 0.000 1.162 95 G CA 0.536 45.586 45.100 -0.083 0.000 0.777 95 G HN 0.239 nan 8.290 nan 0.000 0.539 96 F N 1.044 120.984 119.950 -0.016 0.000 2.234 96 F HA -0.008 4.522 4.527 0.004 0.000 0.299 96 F C 3.050 178.733 175.800 -0.195 0.000 1.087 96 F CA 1.360 59.326 58.000 -0.057 0.000 1.340 96 F CB -0.238 38.776 39.000 0.023 0.000 1.031 96 F HN 0.185 nan 8.300 nan 0.000 0.500 97 Q N -0.225 119.522 119.800 -0.088 0.000 2.079 97 Q HA -0.173 4.170 4.340 0.004 0.000 0.200 97 Q C 2.162 178.128 176.000 -0.057 0.000 0.974 97 Q CA 1.248 56.939 55.803 -0.186 0.000 0.840 97 Q CB -0.230 28.401 28.738 -0.178 0.000 0.898 97 Q HN 0.315 nan 8.270 nan 0.000 0.430 98 E N 0.747 120.944 120.200 -0.006 0.000 2.097 98 E HA -0.205 4.148 4.350 0.004 0.000 0.196 98 E C 2.022 178.665 176.600 0.070 0.000 1.000 98 E CA 0.834 57.266 56.400 0.053 0.000 0.804 98 E CB -0.217 29.542 29.700 0.098 0.000 0.740 98 E HN 0.201 nan 8.360 nan 0.000 0.454 99 L N 0.862 122.110 121.223 0.041 0.000 2.017 99 L HA -0.134 4.208 4.340 0.004 0.000 0.208 99 L C 2.293 179.191 176.870 0.047 0.000 1.073 99 L CA 1.442 56.303 54.840 0.035 0.000 0.745 99 L CB -0.609 41.470 42.059 0.033 0.000 0.894 99 L HN 0.074 nan 8.230 nan 0.000 0.432 100 L N -0.984 120.263 121.223 0.041 0.000 2.201 100 L HA -0.147 4.196 4.340 0.004 0.000 0.212 100 L C 2.693 179.612 176.870 0.082 0.000 1.105 100 L CA 0.977 55.849 54.840 0.053 0.000 0.775 100 L CB -0.624 41.431 42.059 -0.006 0.000 0.913 100 L HN 0.310 nan 8.230 nan 0.000 0.440 101 R N 0.068 120.609 120.500 0.068 0.000 2.075 101 R HA -0.127 4.216 4.340 0.004 0.000 0.232 101 R C 2.112 178.459 176.300 0.078 0.000 1.126 101 R CA 1.854 58.004 56.100 0.083 0.000 0.963 101 R CB -0.139 30.203 30.300 0.069 0.000 0.858 101 R HN 0.238 nan 8.270 nan 0.000 0.435 102 T N 1.266 115.866 114.554 0.077 0.000 2.904 102 T HA 0.002 4.355 4.350 0.004 0.000 0.267 102 T C 1.710 176.442 174.700 0.054 0.000 1.059 102 T CA 0.836 62.978 62.100 0.070 0.000 1.137 102 T CB 0.034 68.937 68.868 0.059 0.000 0.879 102 T HN 0.183 nan 8.240 nan 0.000 0.467 103 L N 0.680 121.935 121.223 0.054 0.000 2.240 103 L HA 0.054 4.397 4.340 0.004 0.000 0.211 103 L C 2.374 179.282 176.870 0.062 0.000 1.106 103 L CA 0.783 55.655 54.840 0.053 0.000 0.793 103 L CB -0.568 41.522 42.059 0.052 0.000 0.927 103 L HN 0.311 nan 8.230 nan 0.000 0.446 104 N N -0.204 118.537 118.700 0.068 0.000 2.047 104 N HA -0.185 4.558 4.740 0.004 0.000 0.193 104 N C 0.944 176.478 175.510 0.040 0.000 1.055 104 N CA 0.814 53.895 53.050 0.052 0.000 0.847 104 N CB 0.322 38.833 38.487 0.040 0.000 1.038 104 N HN 0.016 nan 8.380 nan 0.000 0.427 105 Q N 0.556 120.381 119.800 0.041 0.000 2.932 105 Q HA 0.336 4.678 4.340 0.004 0.000 0.248 105 Q C -2.565 173.463 176.000 0.047 0.000 0.982 105 Q CA -2.316 53.510 55.803 0.039 0.000 0.730 105 Q CB 1.187 29.942 28.738 0.028 0.000 1.249 105 Q HN 0.144 nan 8.270 nan 0.000 0.476 106 P HA 0.034 nan 4.420 nan 0.000 0.310 106 P C 0.009 177.343 177.300 0.057 0.000 1.309 106 P CA -0.015 63.118 63.100 0.055 0.000 0.753 106 P CB 0.728 32.457 31.700 0.049 0.000 1.491 107 D N -1.791 118.644 120.400 0.059 0.000 2.336 107 D HA 0.103 4.745 4.640 0.004 0.000 0.229 107 D C -0.306 176.027 176.300 0.056 0.000 1.061 107 D CA 0.292 54.328 54.000 0.061 0.000 0.875 107 D CB -0.149 40.690 40.800 0.065 0.000 0.904 107 D HN 0.238 nan 8.370 nan 0.000 0.525 108 S N -0.637 115.096 115.700 0.055 0.000 2.756 108 S HA -0.023 4.450 4.470 0.004 0.000 0.295 108 S C -1.494 173.140 174.600 0.058 0.000 0.945 108 S CA -0.790 57.444 58.200 0.056 0.000 0.838 108 S CB 0.425 63.663 63.200 0.062 0.000 1.042 108 S HN 0.120 nan 8.310 nan 0.000 0.467 109 Q N 3.368 123.201 119.800 0.055 0.000 2.348 109 Q HA 0.416 4.759 4.340 0.004 0.000 0.251 109 Q C -0.811 175.229 176.000 0.067 0.000 1.113 109 Q CA -0.243 55.595 55.803 0.058 0.000 0.902 109 Q CB 0.341 29.109 28.738 0.050 0.000 1.333 109 Q HN 0.593 nan 8.270 nan 0.000 0.457 110 L N 4.156 125.429 121.223 0.082 0.000 2.272 110 L HA 0.255 4.597 4.340 0.004 0.000 0.289 110 L C -0.442 176.511 176.870 0.139 0.000 1.032 110 L CA -0.077 54.831 54.840 0.112 0.000 0.810 110 L CB 1.573 43.702 42.059 0.118 0.000 1.205 110 L HN 0.574 nan 8.230 nan 0.000 0.422 111 Q N 4.802 124.661 119.800 0.099 0.000 2.256 111 Q HA 0.154 4.497 4.340 0.004 0.000 0.281 111 Q C -1.205 174.929 176.000 0.223 0.000 1.162 111 Q CA 0.389 56.251 55.803 0.099 0.000 0.943 111 Q CB 0.389 29.128 28.738 0.001 0.000 1.195 111 Q HN 0.471 nan 8.270 nan 0.000 0.403 112 L N 3.275 124.641 121.223 0.238 0.000 2.441 112 L HA 0.300 4.642 4.340 0.004 0.000 0.270 112 L C -0.798 176.229 176.870 0.262 0.000 0.973 112 L CA -0.016 55.003 54.840 0.297 0.000 0.842 112 L CB 2.363 44.547 42.059 0.209 0.000 1.239 112 L HN 0.309 nan 8.230 nan 0.000 0.406 113 T N 2.738 117.502 114.554 0.351 0.000 3.145 113 T HA 0.540 4.892 4.350 0.004 0.000 0.362 113 T C -0.188 174.734 174.700 0.371 0.000 1.340 113 T CA -0.295 62.021 62.100 0.360 0.000 1.069 113 T CB 0.227 69.361 68.868 0.443 0.000 1.129 113 T HN 0.589 nan 8.240 nan 0.000 0.585 114 T N 1.674 116.341 114.554 0.188 0.000 2.887 114 T HA 0.842 5.195 4.350 0.004 0.000 0.288 114 T C 0.178 174.759 174.700 -0.198 0.000 1.021 114 T CA -0.810 61.282 62.100 -0.014 0.000 1.000 114 T CB 2.087 70.965 68.868 0.018 0.000 1.034 114 T HN 0.690 nan 8.240 nan 0.000 0.467 115 G N 0.981 109.416 108.800 -0.609 0.000 2.623 115 G HA2 0.583 4.545 3.960 0.004 0.000 0.290 115 G HA3 0.583 4.545 3.960 0.004 0.000 0.290 115 G C -1.948 172.776 174.900 -0.293 0.000 1.437 115 G CA -0.782 44.088 45.100 -0.382 0.000 0.798 115 G HN 0.665 nan 8.290 nan 0.000 0.488 116 N N -1.003 117.726 118.700 0.048 0.000 2.500 116 N HA 0.603 5.346 4.740 0.004 0.000 0.291 116 N C -0.260 175.372 175.510 0.202 0.000 1.092 116 N CA -0.221 52.906 53.050 0.128 0.000 0.890 116 N CB 1.942 40.461 38.487 0.054 0.000 1.466 116 N HN 0.824 nan 8.380 nan 0.000 0.507 117 G N 2.607 111.580 108.800 0.289 0.000 2.478 117 G HA2 0.583 4.546 3.960 0.004 0.000 0.317 117 G HA3 0.583 4.546 3.960 0.004 0.000 0.317 117 G C -0.905 173.829 174.900 -0.277 0.000 1.259 117 G CA -0.441 44.568 45.100 -0.151 0.000 0.933 117 G HN 0.457 nan 8.290 nan 0.000 0.478 118 L N 1.290 122.244 121.223 -0.449 0.000 2.322 118 L HA 0.601 4.943 4.340 0.004 0.000 0.279 118 L C -0.949 175.684 176.870 -0.396 0.000 1.036 118 L CA -0.770 53.977 54.840 -0.154 0.000 0.807 118 L CB 1.769 43.870 42.059 0.071 0.000 1.226 118 L HN 0.401 nan 8.230 nan 0.000 0.433 119 F N 3.348 123.552 119.950 0.423 0.000 2.577 119 F HA 0.488 5.018 4.527 0.004 0.000 0.344 119 F C -0.578 175.581 175.800 0.599 0.000 1.145 119 F CA -0.546 57.710 58.000 0.426 0.000 0.996 119 F CB 1.314 40.537 39.000 0.372 0.000 1.248 119 F HN 0.104 nan 8.300 nan 0.000 0.447 120 L N 1.303 122.827 121.223 0.501 0.000 2.330 120 L HA 0.542 4.885 4.340 0.004 0.000 0.271 120 L C 0.513 177.660 176.870 0.461 0.000 1.013 120 L CA -0.715 54.367 54.840 0.404 0.000 0.816 120 L CB 1.781 43.845 42.059 0.007 0.000 1.287 120 L HN 0.495 nan 8.230 nan 0.000 0.435 121 S N 0.500 116.483 115.700 0.473 0.000 2.552 121 S HA 0.030 4.502 4.470 0.004 0.000 0.289 121 S C 0.119 174.828 174.600 0.182 0.000 1.304 121 S CA -0.273 58.173 58.200 0.411 0.000 1.063 121 S CB -0.030 63.360 63.200 0.318 0.000 0.848 121 S HN 0.579 nan 8.310 nan 0.000 0.499 122 E N 2.653 122.931 120.200 0.129 0.000 2.220 122 E HA 0.379 4.732 4.350 0.004 0.000 0.272 122 E C 1.025 177.663 176.600 0.064 0.000 1.099 122 E CA 0.584 57.026 56.400 0.069 0.000 0.907 122 E CB 0.325 30.049 29.700 0.040 0.000 1.022 122 E HN 0.957 nan 8.360 nan 0.000 0.428 123 G N 3.413 112.241 108.800 0.045 0.000 2.551 123 G HA2 -0.179 3.783 3.960 0.004 0.000 0.186 123 G HA3 -0.179 3.783 3.960 0.004 0.000 0.186 123 G C 0.022 174.934 174.900 0.019 0.000 1.002 123 G CA -0.723 44.396 45.100 0.033 0.000 0.723 123 G HN 0.419 nan 8.290 nan 0.000 0.481 124 L N 1.721 122.954 121.223 0.018 0.000 2.290 124 L HA 0.417 4.760 4.340 0.004 0.000 0.284 124 L C 0.781 177.638 176.870 -0.022 0.000 1.078 124 L CA -0.499 54.334 54.840 -0.010 0.000 0.815 124 L CB 1.482 43.523 42.059 -0.029 0.000 1.162 124 L HN 0.078 nan 8.230 nan 0.000 0.435 125 K N 5.604 125.987 120.400 -0.029 0.000 2.111 125 K HA 0.278 4.601 4.320 0.004 0.000 0.249 125 K C -0.297 176.277 176.600 -0.043 0.000 1.157 125 K CA -0.416 55.853 56.287 -0.029 0.000 1.048 125 K CB -0.075 32.410 32.500 -0.026 0.000 1.498 125 K HN 0.521 nan 8.250 nan 0.000 0.344 126 L N 2.748 123.945 121.223 -0.044 0.000 2.483 126 L HA 0.059 4.401 4.340 0.004 0.000 0.276 126 L C 0.351 177.203 176.870 -0.030 0.000 1.213 126 L CA -0.615 54.195 54.840 -0.050 0.000 0.843 126 L CB 0.529 42.568 42.059 -0.034 0.000 1.107 126 L HN 0.141 nan 8.230 nan 0.000 0.487 127 V N 2.664 122.564 119.914 -0.024 0.000 2.470 127 V HA -0.032 4.091 4.120 0.004 0.000 0.276 127 V C 1.010 177.119 176.094 0.025 0.000 1.040 127 V CA -0.109 62.187 62.300 -0.007 0.000 1.008 127 V CB 0.859 32.671 31.823 -0.019 0.000 0.990 127 V HN 0.754 nan 8.190 nan 0.000 0.477 128 D N 3.723 124.122 120.400 -0.002 0.000 2.158 128 D HA -0.199 4.444 4.640 0.004 0.000 0.197 128 D C 1.947 178.238 176.300 -0.014 0.000 0.995 128 D CA 1.285 55.277 54.000 -0.014 0.000 0.846 128 D CB 0.240 41.027 40.800 -0.022 0.000 0.941 128 D HN 0.511 nan 8.370 nan 0.000 0.456 129 K N 0.882 121.283 120.400 0.001 0.000 2.044 129 K HA -0.182 4.141 4.320 0.004 0.000 0.210 129 K C 1.944 178.550 176.600 0.011 0.000 1.049 129 K CA 0.863 57.149 56.287 -0.002 0.000 0.927 129 K CB -0.888 31.613 32.500 0.002 0.000 0.713 129 K HN 0.090 nan 8.250 nan 0.000 0.443 130 F N 1.003 120.888 119.950 -0.109 0.000 2.095 130 F HA -0.093 4.436 4.527 0.003 0.000 0.298 130 F C 1.585 177.306 175.800 -0.133 0.000 1.104 130 F CA 1.536 59.456 58.000 -0.133 0.000 1.232 130 F CB -0.315 38.595 39.000 -0.150 0.000 0.987 130 F HN 0.013 nan 8.300 nan 0.000 0.475 131 L N -0.108 120.988 121.223 -0.211 0.000 2.191 131 L HA -0.187 4.156 4.340 0.004 0.000 0.212 131 L C 2.283 178.996 176.870 -0.263 0.000 1.103 131 L CA 1.363 56.021 54.840 -0.304 0.000 0.769 131 L CB -0.788 41.180 42.059 -0.153 0.000 0.908 131 L HN 0.242 nan 8.230 nan 0.000 0.438 132 E N 0.249 120.342 120.200 -0.179 0.000 2.015 132 E HA -0.201 4.151 4.350 0.004 0.000 0.191 132 E C 1.751 178.257 176.600 -0.157 0.000 0.991 132 E CA 1.360 57.682 56.400 -0.129 0.000 0.802 132 E CB -0.078 29.575 29.700 -0.079 0.000 0.759 132 E HN 0.440 nan 8.360 nan 0.000 0.447 133 D N 0.522 120.808 120.400 -0.190 0.000 2.149 133 D HA -0.144 4.499 4.640 0.004 0.000 0.198 133 D C 2.064 178.222 176.300 -0.238 0.000 0.990 133 D CA 0.766 54.657 54.000 -0.180 0.000 0.839 133 D CB -0.355 40.333 40.800 -0.187 0.000 0.948 133 D HN 0.010 nan 8.370 nan 0.000 0.460 134 V N 0.532 120.173 119.914 -0.454 0.000 2.237 134 V HA -0.243 3.880 4.120 0.004 0.000 0.245 134 V C 2.299 178.259 176.094 -0.223 0.000 1.046 134 V CA 1.682 63.714 62.300 -0.447 0.000 1.007 134 V CB -0.319 31.096 31.823 -0.681 0.000 0.638 134 V HN 0.039 nan 8.190 nan 0.000 0.445 135 K N 0.251 120.531 120.400 -0.200 0.000 1.984 135 K HA -0.088 4.234 4.320 0.004 0.000 0.209 135 K C 2.101 178.723 176.600 0.035 0.000 1.046 135 K CA 1.526 57.763 56.287 -0.085 0.000 0.934 135 K CB -0.397 32.042 32.500 -0.101 0.000 0.717 135 K HN 0.365 nan 8.250 nan 0.000 0.438 136 K N 0.244 120.641 120.400 -0.005 0.000 1.968 136 K HA -0.015 4.308 4.320 0.004 0.000 0.215 136 K C 2.118 178.667 176.600 -0.085 0.000 1.040 136 K CA 1.308 57.620 56.287 0.043 0.000 0.959 136 K CB -0.535 31.965 32.500 0.001 0.000 0.740 136 K HN -0.046 nan 8.250 nan 0.000 0.443 137 L N -0.168 120.991 121.223 -0.107 0.000 1.963 137 L HA -0.254 4.088 4.340 0.004 0.000 0.220 137 L C 2.196 178.837 176.870 -0.381 0.000 1.076 137 L CA 1.664 56.408 54.840 -0.160 0.000 0.772 137 L CB -0.486 41.596 42.059 0.039 0.000 0.892 137 L HN 0.320 nan 8.230 nan 0.000 0.435 138 Y N -1.573 118.506 120.300 -0.368 0.000 2.468 138 Y HA 0.111 4.662 4.550 0.003 0.000 0.268 138 Y C 0.490 176.217 175.900 -0.288 0.000 1.177 138 Y CA -0.775 57.124 58.100 -0.335 0.000 1.265 138 Y CB -0.493 37.836 38.460 -0.219 0.000 1.103 138 Y HN 0.191 nan 8.280 nan 0.000 0.522 139 H N -0.875 118.213 119.070 0.030 0.000 2.529 139 H HA -0.197 4.362 4.556 0.005 0.000 0.319 139 H C 0.428 175.751 175.328 -0.008 0.000 1.072 139 H CA 0.808 56.853 56.048 -0.005 0.000 1.126 139 H CB -1.552 28.212 29.762 0.003 0.000 1.474 139 H HN 0.246 nan 8.280 nan 0.000 0.406 140 S N 0.265 115.982 115.700 0.028 0.000 2.525 140 S HA 0.323 4.796 4.470 0.004 0.000 0.290 140 S C 0.252 174.770 174.600 -0.136 0.000 1.152 140 S CA -0.877 57.308 58.200 -0.026 0.000 1.072 140 S CB 1.496 64.654 63.200 -0.071 0.000 1.027 140 S HN 0.329 nan 8.310 nan 0.000 0.500 141 E N 1.769 121.882 120.200 -0.146 0.000 2.331 141 E HA 0.549 4.902 4.350 0.004 0.000 0.272 141 E C -0.530 175.620 176.600 -0.749 0.000 1.036 141 E CA -0.509 55.624 56.400 -0.445 0.000 0.864 141 E CB 1.333 30.884 29.700 -0.249 0.000 1.035 141 E HN 0.594 nan 8.360 nan 0.000 0.408 142 A N 3.114 125.306 122.820 -1.047 0.000 2.422 142 A HA 0.701 5.023 4.320 0.004 0.000 0.302 142 A C -1.372 175.584 177.584 -1.045 0.000 1.041 142 A CA -0.646 50.889 52.037 -0.837 0.000 0.708 142 A CB 0.715 19.446 19.000 -0.448 0.000 1.257 142 A HN 0.484 nan 8.150 nan 0.000 0.414 143 F N -0.045 119.709 119.950 -0.327 0.000 2.629 143 F HA 0.704 5.234 4.527 0.004 0.000 0.316 143 F C 0.512 176.279 175.800 -0.054 0.000 1.081 143 F CA -0.501 57.389 58.000 -0.183 0.000 0.954 143 F CB 2.551 41.437 39.000 -0.190 0.000 1.337 143 F HN 0.528 nan 8.300 nan 0.000 0.474 144 T N 0.004 114.675 114.554 0.195 0.000 2.779 144 T HA 0.765 5.118 4.350 0.004 0.000 0.280 144 T C -0.677 174.079 174.700 0.094 0.000 0.987 144 T CA -0.678 61.505 62.100 0.138 0.000 0.966 144 T CB 1.066 69.982 68.868 0.079 0.000 0.933 144 T HN 0.768 nan 8.240 nan 0.000 0.442 145 V N 0.334 120.244 119.914 -0.006 0.000 3.155 145 V HA 0.757 4.879 4.120 0.004 0.000 0.313 145 V C -0.529 175.418 176.094 -0.244 0.000 1.162 145 V CA -1.370 60.820 62.300 -0.183 0.000 1.048 145 V CB 1.901 33.507 31.823 -0.361 0.000 1.092 145 V HN 0.839 nan 8.190 nan 0.000 0.447 146 N N 0.297 118.862 118.700 -0.224 0.000 2.500 146 N HA 0.380 5.123 4.740 0.004 0.000 0.236 146 N C -0.286 175.138 175.510 -0.144 0.000 1.022 146 N CA -0.663 52.322 53.050 -0.108 0.000 0.935 146 N CB 0.126 38.585 38.487 -0.048 0.000 1.147 146 N HN 0.649 nan 8.380 nan 0.000 0.512 147 F N 1.133 121.111 119.950 0.047 0.000 2.802 147 F HA 0.241 4.770 4.527 0.004 0.000 0.300 147 F C 2.138 177.956 175.800 0.029 0.000 1.168 147 F CA 0.146 58.171 58.000 0.042 0.000 1.433 147 F CB 0.027 39.063 39.000 0.060 0.000 1.115 147 F HN 0.628 nan 8.300 nan 0.000 0.582 148 G N -1.195 107.696 108.800 0.152 0.000 2.448 148 G HA2 -0.192 3.771 3.960 0.004 0.000 0.218 148 G HA3 -0.192 3.771 3.960 0.004 0.000 0.218 148 G C 0.442 175.383 174.900 0.069 0.000 1.135 148 G CA 0.409 45.568 45.100 0.099 0.000 0.784 148 G HN 0.174 nan 8.290 nan 0.000 0.543 149 D N 0.088 120.515 120.400 0.044 0.000 2.540 149 D HA 0.297 4.939 4.640 0.004 0.000 0.251 149 D C 1.608 177.923 176.300 0.025 0.000 1.159 149 D CA -0.246 53.767 54.000 0.021 0.000 0.974 149 D CB 0.251 41.047 40.800 -0.007 0.000 0.996 149 D HN -0.074 nan 8.370 nan 0.000 0.512 150 T N 1.273 115.864 114.554 0.061 0.000 2.649 150 T HA -0.215 4.137 4.350 0.004 0.000 0.268 150 T C 1.558 176.279 174.700 0.035 0.000 1.036 150 T CA 1.255 63.404 62.100 0.080 0.000 1.157 150 T CB 0.140 69.053 68.868 0.075 0.000 0.861 150 T HN 0.422 nan 8.240 nan 0.000 0.445 151 E N 0.280 120.487 120.200 0.012 0.000 2.072 151 E HA -0.129 4.223 4.350 0.004 0.000 0.191 151 E C 2.378 178.959 176.600 -0.032 0.000 0.985 151 E CA 1.026 57.422 56.400 -0.008 0.000 0.801 151 E CB -0.215 29.481 29.700 -0.007 0.000 0.750 151 E HN 0.451 nan 8.360 nan 0.000 0.452 152 E N 1.020 121.196 120.200 -0.040 0.000 2.110 152 E HA -0.130 4.222 4.350 0.004 0.000 0.193 152 E C 1.780 178.314 176.600 -0.109 0.000 0.988 152 E CA 1.318 57.679 56.400 -0.065 0.000 0.804 152 E CB -0.204 29.460 29.700 -0.060 0.000 0.745 152 E HN 0.205 nan 8.360 nan 0.000 0.458 153 A N 0.830 123.574 122.820 -0.127 0.000 1.877 153 A HA -0.206 4.117 4.320 0.004 0.000 0.216 153 A C 2.073 179.537 177.584 -0.200 0.000 1.186 153 A CA 1.829 53.734 52.037 -0.221 0.000 0.620 153 A CB -0.449 18.417 19.000 -0.223 0.000 0.822 153 A HN 0.220 nan 8.150 nan 0.000 0.443 154 K N -0.293 120.042 120.400 -0.108 0.000 2.009 154 K HA -0.207 4.115 4.320 0.004 0.000 0.210 154 K C 2.260 178.789 176.600 -0.118 0.000 1.049 154 K CA 1.822 58.049 56.287 -0.100 0.000 0.929 154 K CB -0.214 32.259 32.500 -0.045 0.000 0.714 154 K HN 0.495 nan 8.250 nan 0.000 0.440 155 K N 1.411 121.755 120.400 -0.094 0.000 2.009 155 K HA -0.267 4.055 4.320 0.004 0.000 0.210 155 K C 2.314 178.850 176.600 -0.106 0.000 1.049 155 K CA 1.770 58.008 56.287 -0.082 0.000 0.929 155 K CB -0.059 32.403 32.500 -0.064 0.000 0.714 155 K HN 0.114 nan 8.250 nan 0.000 0.440 156 Q N 0.299 120.017 119.800 -0.138 0.000 2.173 156 Q HA -0.191 4.152 4.340 0.004 0.000 0.208 156 Q C 2.033 177.914 176.000 -0.199 0.000 0.989 156 Q CA 1.949 57.658 55.803 -0.157 0.000 0.872 156 Q CB -0.041 28.585 28.738 -0.186 0.000 0.909 156 Q HN 0.430 nan 8.270 nan 0.000 0.420 157 I N 0.196 120.557 120.570 -0.348 0.000 2.206 157 I HA -0.238 3.934 4.170 0.004 0.000 0.239 157 I C 1.796 177.869 176.117 -0.074 0.000 1.078 157 I CA 0.653 61.641 61.300 -0.520 0.000 1.367 157 I CB -0.375 37.167 38.000 -0.764 0.000 1.078 157 I HN 0.215 nan 8.210 nan 0.000 0.413 158 N N 1.112 119.762 118.700 -0.083 0.000 2.192 158 N HA -0.201 4.542 4.740 0.004 0.000 0.188 158 N C 1.332 176.827 175.510 -0.026 0.000 1.013 158 N CA 1.422 54.453 53.050 -0.032 0.000 0.863 158 N CB -0.477 37.981 38.487 -0.049 0.000 0.990 158 N HN 0.341 nan 8.380 nan 0.000 0.430 159 D N -0.202 120.186 120.400 -0.021 0.000 2.097 159 D HA -0.145 4.497 4.640 0.004 0.000 0.197 159 D C 1.829 178.143 176.300 0.024 0.000 0.984 159 D CA 0.610 54.599 54.000 -0.018 0.000 0.826 159 D CB -0.499 40.287 40.800 -0.023 0.000 0.973 159 D HN 0.326 nan 8.370 nan 0.000 0.460 160 Y N 1.808 122.089 120.300 -0.033 0.000 2.081 160 Y HA -0.286 4.266 4.550 0.004 0.000 0.280 160 Y C 2.136 178.074 175.900 0.064 0.000 1.163 160 Y CA 1.444 59.569 58.100 0.042 0.000 1.135 160 Y CB -0.648 37.907 38.460 0.159 0.000 0.970 160 Y HN -0.165 nan 8.280 nan 0.000 0.498 161 V N 1.008 120.825 119.914 -0.162 0.000 2.255 161 V HA -0.333 3.789 4.120 0.004 0.000 0.247 161 V C 2.431 178.226 176.094 -0.497 0.000 1.051 161 V CA 2.329 64.333 62.300 -0.494 0.000 1.018 161 V CB -0.966 30.696 31.823 -0.269 0.000 0.641 161 V HN 0.541 nan 8.190 nan 0.000 0.445 162 E N 0.615 120.651 120.200 -0.273 0.000 2.033 162 E HA -0.336 4.016 4.350 0.004 0.000 0.199 162 E C 2.356 178.832 176.600 -0.207 0.000 1.011 162 E CA 2.142 58.408 56.400 -0.224 0.000 0.815 162 E CB -0.259 29.358 29.700 -0.138 0.000 0.755 162 E HN 0.579 nan 8.360 nan 0.000 0.451 163 K N -0.354 119.955 120.400 -0.153 0.000 2.074 163 K HA -0.154 4.169 4.320 0.004 0.000 0.209 163 K C 2.046 178.574 176.600 -0.120 0.000 1.048 163 K CA 1.716 57.942 56.287 -0.103 0.000 0.926 163 K CB -0.415 32.059 32.500 -0.043 0.000 0.713 163 K HN 0.234 nan 8.250 nan 0.000 0.444 164 G N -0.106 108.571 108.800 -0.205 0.000 2.464 164 G HA2 -0.166 3.796 3.960 0.004 0.000 0.217 164 G HA3 -0.166 3.796 3.960 0.004 0.000 0.217 164 G C 1.317 176.144 174.900 -0.120 0.000 1.138 164 G CA 1.102 46.118 45.100 -0.141 0.000 0.793 164 G HN 0.548 nan 8.290 nan 0.000 0.539 165 T N -2.518 111.865 114.554 -0.285 0.000 3.105 165 T HA 0.258 4.611 4.350 0.004 0.000 0.253 165 T C 0.826 175.367 174.700 -0.265 0.000 1.047 165 T CA 0.056 61.994 62.100 -0.270 0.000 0.944 165 T CB -0.012 68.612 68.868 -0.406 0.000 1.016 165 T HN 0.322 nan 8.240 nan 0.000 0.544 166 Q N 0.613 120.300 119.800 -0.188 0.000 2.423 166 Q HA -0.242 4.100 4.340 0.004 0.000 0.332 166 Q C 1.143 177.036 176.000 -0.179 0.000 1.355 166 Q CA 0.659 56.370 55.803 -0.152 0.000 0.947 166 Q CB -1.901 26.772 28.738 -0.109 0.000 1.189 166 Q HN 1.083 nan 8.270 nan 0.000 0.418 167 G N -0.575 108.113 108.800 -0.186 0.000 2.175 167 G HA2 -0.357 3.606 3.960 0.004 0.000 0.244 167 G HA3 -0.357 3.606 3.960 0.004 0.000 0.244 167 G C 0.625 175.405 174.900 -0.201 0.000 0.982 167 G CA 0.667 45.666 45.100 -0.168 0.000 0.641 167 G HN 0.342 nan 8.290 nan 0.000 0.527 168 K N 0.243 120.467 120.400 -0.294 0.000 2.103 168 K HA 0.309 4.631 4.320 0.004 0.000 0.204 168 K C 1.018 177.498 176.600 -0.200 0.000 1.052 168 K CA 0.891 56.985 56.287 -0.323 0.000 0.945 168 K CB -0.056 32.047 32.500 -0.661 0.000 0.722 168 K HN 0.517 nan 8.250 nan 0.000 0.443 169 I N 1.835 122.277 120.570 -0.214 0.000 2.362 169 I HA 0.209 4.382 4.170 0.004 0.000 0.289 169 I C -0.939 175.090 176.117 -0.146 0.000 0.994 169 I CA -1.232 59.973 61.300 -0.158 0.000 1.158 169 I CB 1.809 39.694 38.000 -0.191 0.000 1.315 169 I HN -0.218 nan 8.210 nan 0.000 0.451 170 V N 2.456 122.313 119.914 -0.096 0.000 2.604 170 V HA 0.482 4.605 4.120 0.004 0.000 0.305 170 V C -0.363 175.698 176.094 -0.055 0.000 1.043 170 V CA -0.936 61.317 62.300 -0.079 0.000 0.888 170 V CB 1.612 33.394 31.823 -0.068 0.000 0.995 170 V HN 0.941 nan 8.190 nan 0.000 0.429 171 D N 1.854 122.224 120.400 -0.050 0.000 2.894 171 D HA -0.260 4.382 4.640 0.004 0.000 0.216 171 D C 0.340 176.628 176.300 -0.020 0.000 1.245 171 D CA 0.997 54.977 54.000 -0.034 0.000 0.728 171 D CB -0.680 40.102 40.800 -0.031 0.000 0.924 171 D HN 0.740 nan 8.370 nan 0.000 0.395 172 L N 1.432 122.648 121.223 -0.012 0.000 2.017 172 L HA -0.006 4.336 4.340 0.004 0.000 0.208 172 L C 0.884 177.769 176.870 0.025 0.000 1.073 172 L CA 1.346 56.195 54.840 0.014 0.000 0.745 172 L CB -0.038 42.048 42.059 0.046 0.000 0.894 172 L HN 0.350 nan 8.230 nan 0.000 0.432 173 V N 1.700 121.626 119.914 0.020 0.000 2.406 173 V HA 0.152 4.274 4.120 0.004 0.000 0.272 173 V C 1.076 177.175 176.094 0.008 0.000 1.043 173 V CA -0.457 61.857 62.300 0.023 0.000 0.915 173 V CB 0.978 32.812 31.823 0.018 0.000 0.988 173 V HN 0.271 nan 8.190 nan 0.000 0.466 174 K N 3.716 124.123 120.400 0.013 0.000 2.379 174 K HA 0.195 4.518 4.320 0.004 0.000 0.194 174 K C 0.352 176.958 176.600 0.010 0.000 1.031 174 K CA 0.307 56.598 56.287 0.007 0.000 1.037 174 K CB 0.533 33.036 32.500 0.006 0.000 0.824 174 K HN 0.968 nan 8.250 nan 0.000 0.516 175 E N -0.234 119.977 120.200 0.018 0.000 2.393 175 E HA 0.310 4.663 4.350 0.004 0.000 0.282 175 E C -1.385 175.237 176.600 0.036 0.000 1.096 175 E CA -0.625 55.789 56.400 0.024 0.000 0.866 175 E CB 0.681 30.392 29.700 0.019 0.000 1.232 175 E HN -0.147 nan 8.360 nan 0.000 0.431 176 L N 1.394 122.644 121.223 0.045 0.000 2.354 176 L HA 0.474 4.816 4.340 0.004 0.000 0.269 176 L C -0.099 176.797 176.870 0.045 0.000 1.005 176 L CA -1.194 53.681 54.840 0.058 0.000 0.819 176 L CB 1.767 43.886 42.059 0.101 0.000 1.311 176 L HN 0.573 nan 8.230 nan 0.000 0.423 177 D N 0.882 121.301 120.400 0.032 0.000 2.354 177 D HA 0.025 4.667 4.640 0.004 0.000 0.238 177 D C 0.669 176.982 176.300 0.021 0.000 1.250 177 D CA -0.164 53.848 54.000 0.021 0.000 0.911 177 D CB 1.064 41.870 40.800 0.011 0.000 1.163 177 D HN 0.433 nan 8.370 nan 0.000 0.456 178 R N 0.598 121.109 120.500 0.018 0.000 2.115 178 R HA -0.077 4.266 4.340 0.004 0.000 0.230 178 R C 0.875 177.183 176.300 0.014 0.000 1.111 178 R CA 1.014 57.127 56.100 0.022 0.000 0.976 178 R CB -0.284 30.027 30.300 0.019 0.000 0.870 178 R HN 0.431 nan 8.270 nan 0.000 0.445 179 D N -0.792 119.606 120.400 -0.003 0.000 2.491 179 D HA 0.033 4.675 4.640 0.004 0.000 0.228 179 D C -0.600 175.655 176.300 -0.075 0.000 1.183 179 D CA -0.283 53.705 54.000 -0.021 0.000 0.827 179 D CB -0.217 40.576 40.800 -0.011 0.000 0.989 179 D HN -0.177 nan 8.370 nan 0.000 0.494 180 T N 0.383 114.870 114.554 -0.111 0.000 2.799 180 T HA 0.260 4.613 4.350 0.004 0.000 0.296 180 T C 1.390 175.707 174.700 -0.639 0.000 0.947 180 T CA -0.175 61.748 62.100 -0.294 0.000 1.141 180 T CB 1.556 70.286 68.868 -0.229 0.000 0.891 180 T HN 0.224 nan 8.240 nan 0.000 0.533 181 V N 0.461 119.995 119.914 -0.633 0.000 3.411 181 V HA 0.551 4.673 4.120 0.004 0.000 0.287 181 V C -0.310 175.558 176.094 -0.377 0.000 1.543 181 V CA -0.308 61.643 62.300 -0.582 0.000 1.028 181 V CB 0.119 31.860 31.823 -0.136 0.000 0.840 181 V HN 0.603 nan 8.190 nan 0.000 0.435 182 F N 1.998 121.660 119.950 -0.481 0.000 2.653 182 F HA 0.886 5.415 4.527 0.004 0.000 0.327 182 F C -0.591 175.202 175.800 -0.013 0.000 1.195 182 F CA -1.249 56.686 58.000 -0.108 0.000 0.993 182 F CB 1.428 40.384 39.000 -0.074 0.000 1.259 182 F HN 0.215 nan 8.300 nan 0.000 0.478 183 A N 6.667 129.744 122.820 0.429 0.000 2.371 183 A HA 0.795 5.117 4.320 0.004 0.000 0.311 183 A C -2.153 175.627 177.584 0.327 0.000 1.068 183 A CA -0.719 51.487 52.037 0.281 0.000 0.744 183 A CB 1.739 21.001 19.000 0.436 0.000 1.239 183 A HN 0.887 nan 8.150 nan 0.000 0.435 184 L N 3.051 124.363 121.223 0.147 0.000 2.356 184 L HA 0.753 5.095 4.340 0.004 0.000 0.277 184 L C -1.559 175.497 176.870 0.310 0.000 0.996 184 L CA -0.685 54.255 54.840 0.165 0.000 0.822 184 L CB 1.755 43.767 42.059 -0.078 0.000 1.256 184 L HN 0.449 nan 8.230 nan 0.000 0.413 185 V N 5.077 125.249 119.914 0.431 0.000 2.407 185 V HA 0.436 4.559 4.120 0.004 0.000 0.291 185 V C -0.491 175.872 176.094 0.448 0.000 1.018 185 V CA -0.650 61.937 62.300 0.477 0.000 0.842 185 V CB 1.555 33.755 31.823 0.628 0.000 0.996 185 V HN 0.763 nan 8.190 nan 0.000 0.426 186 N N 4.483 123.414 118.700 0.384 0.000 2.399 186 N HA 0.527 5.270 4.740 0.004 0.000 0.280 186 N C -1.604 174.064 175.510 0.265 0.000 1.008 186 N CA -0.212 53.023 53.050 0.309 0.000 0.894 186 N CB 2.456 41.177 38.487 0.391 0.000 1.273 186 N HN 0.712 nan 8.380 nan 0.000 0.486 187 Y N 2.107 122.489 120.300 0.137 0.000 2.615 187 Y HA 0.761 5.314 4.550 0.005 0.000 0.341 187 Y C -1.396 174.551 175.900 0.077 0.000 1.089 187 Y CA -1.214 56.887 58.100 0.002 0.000 1.049 187 Y CB 1.383 39.875 38.460 0.054 0.000 1.296 187 Y HN 0.335 nan 8.280 nan 0.000 0.470 188 I N 2.848 123.615 120.570 0.329 0.000 2.667 188 I HA 0.450 4.622 4.170 0.004 0.000 0.288 188 I C -2.407 174.044 176.117 0.558 0.000 1.267 188 I CA -0.710 60.794 61.300 0.339 0.000 1.055 188 I CB 1.374 39.426 38.000 0.087 0.000 1.294 188 I HN 0.740 nan 8.210 nan 0.000 0.429 189 F N 9.103 129.316 119.950 0.438 0.000 2.467 189 F HA 0.691 5.221 4.527 0.005 0.000 0.336 189 F C -1.935 174.121 175.800 0.426 0.000 1.123 189 F CA -0.689 57.539 58.000 0.381 0.000 0.964 189 F CB 1.418 40.551 39.000 0.221 0.000 1.136 189 F HN 0.366 nan 8.300 nan 0.000 0.447 190 F N 6.727 126.258 119.950 -0.699 0.000 2.576 190 F HA 0.577 5.108 4.527 0.006 0.000 0.313 190 F C -1.215 174.035 175.800 -0.916 0.000 1.078 190 F CA -0.935 56.680 58.000 -0.642 0.000 0.921 190 F CB 1.725 40.510 39.000 -0.360 0.000 1.232 190 F HN 0.524 nan 8.300 nan 0.000 0.459 191 K N 4.139 123.570 120.400 -1.616 0.000 2.956 191 K HA 0.334 4.656 4.320 0.004 0.000 0.239 191 K C -0.669 175.176 176.600 -1.257 0.000 1.253 191 K CA -0.253 55.321 56.287 -1.189 0.000 0.963 191 K CB 0.340 32.477 32.500 -0.606 0.000 1.297 191 K HN 0.912 nan 8.250 nan 0.000 0.566 192 G N 2.085 109.722 108.800 -1.939 0.000 2.539 192 G HA2 0.208 4.171 3.960 0.004 0.000 0.258 192 G HA3 0.208 4.171 3.960 0.004 0.000 0.258 192 G C -0.696 173.877 174.900 -0.545 0.000 1.202 192 G CA -0.483 43.905 45.100 -1.185 0.000 0.851 192 G HN 0.392 nan 8.290 nan 0.000 0.556 193 K N 0.242 120.499 120.400 -0.237 0.000 2.183 193 K HA 0.176 4.498 4.320 0.004 0.000 0.274 193 K C -0.842 175.784 176.600 0.043 0.000 1.009 193 K CA -0.391 55.823 56.287 -0.122 0.000 0.888 193 K CB 1.814 34.298 32.500 -0.027 0.000 1.078 193 K HN 0.556 nan 8.250 nan 0.000 0.459 194 W N 2.075 123.488 121.300 0.188 0.000 2.223 194 W HA -0.023 4.638 4.660 0.003 0.000 0.334 194 W C 1.495 178.046 176.519 0.053 0.000 1.334 194 W CA -0.049 57.349 57.345 0.088 0.000 1.246 194 W CB 0.407 29.876 29.460 0.016 0.000 1.184 194 W HN 0.754 nan 8.180 nan 0.000 0.563 195 E N 1.847 122.229 120.200 0.304 0.000 2.268 195 E HA -0.108 4.244 4.350 0.004 0.000 0.195 195 E C 0.302 176.899 176.600 -0.005 0.000 0.995 195 E CA 0.834 57.306 56.400 0.120 0.000 0.836 195 E CB 0.211 29.946 29.700 0.058 0.000 0.763 195 E HN 0.377 nan 8.360 nan 0.000 0.491 196 R N 1.429 121.917 120.500 -0.019 0.000 2.629 196 R HA 0.263 4.606 4.340 0.004 0.000 0.275 196 R C -2.552 173.753 176.300 0.007 0.000 1.719 196 R CA -1.635 54.373 56.100 -0.152 0.000 1.472 196 R CB 1.516 31.451 30.300 -0.608 0.000 1.237 196 R HN 0.112 nan 8.270 nan 0.000 0.589 197 P HA -0.014 nan 4.420 nan 0.000 0.270 197 P C -0.636 176.645 177.300 -0.031 0.000 1.223 197 P CA 0.078 63.293 63.100 0.191 0.000 0.785 197 P CB 0.659 32.506 31.700 0.245 0.000 0.923 198 F N -0.069 119.983 119.950 0.171 0.000 2.399 198 F HA 0.233 4.762 4.527 0.003 0.000 0.334 198 F C 1.382 177.226 175.800 0.073 0.000 1.097 198 F CA -0.247 57.801 58.000 0.081 0.000 1.076 198 F CB 0.791 39.822 39.000 0.052 0.000 1.162 198 F HN 0.206 nan 8.300 nan 0.000 0.495 199 E N 2.340 122.661 120.200 0.203 0.000 2.194 199 E HA 0.135 4.487 4.350 0.004 0.000 0.284 199 E C 0.769 177.437 176.600 0.114 0.000 1.035 199 E CA -0.257 56.213 56.400 0.117 0.000 0.836 199 E CB 1.559 31.289 29.700 0.049 0.000 1.070 199 E HN 0.493 nan 8.360 nan 0.000 0.401 200 V N 4.725 124.698 119.914 0.097 0.000 2.439 200 V HA -0.375 3.747 4.120 0.004 0.000 0.253 200 V C 2.330 178.449 176.094 0.042 0.000 1.074 200 V CA 2.429 64.770 62.300 0.068 0.000 1.076 200 V CB -0.967 30.889 31.823 0.054 0.000 0.664 200 V HN 0.735 nan 8.190 nan 0.000 0.461 201 K N 0.428 120.850 120.400 0.035 0.000 2.103 201 K HA -0.240 4.082 4.320 0.004 0.000 0.207 201 K C 1.409 178.019 176.600 0.017 0.000 1.048 201 K CA 2.174 58.473 56.287 0.021 0.000 0.930 201 K CB -0.436 32.072 32.500 0.015 0.000 0.716 201 K HN 0.405 nan 8.250 nan 0.000 0.444 202 D N 1.034 121.448 120.400 0.024 0.000 2.349 202 D HA -0.013 4.629 4.640 0.004 0.000 0.224 202 D C -0.162 176.133 176.300 -0.007 0.000 1.029 202 D CA 0.597 54.603 54.000 0.011 0.000 0.879 202 D CB 0.204 41.014 40.800 0.018 0.000 0.906 202 D HN 0.207 nan 8.370 nan 0.000 0.528 203 T N 2.115 116.667 114.554 -0.003 0.000 2.855 203 T HA 0.178 4.530 4.350 0.004 0.000 0.290 203 T C 0.360 175.053 174.700 -0.011 0.000 0.941 203 T CA -0.011 62.074 62.100 -0.024 0.000 1.030 203 T CB 0.663 69.519 68.868 -0.020 0.000 0.935 203 T HN 0.027 nan 8.240 nan 0.000 0.564 204 E N 1.865 122.060 120.200 -0.009 0.000 2.249 204 E HA 0.354 4.706 4.350 0.004 0.000 0.263 204 E C -0.228 176.378 176.600 0.011 0.000 0.950 204 E CA -0.897 55.506 56.400 0.006 0.000 0.827 204 E CB 1.746 31.455 29.700 0.015 0.000 1.220 204 E HN 0.518 nan 8.360 nan 0.000 0.411 205 E N 1.229 121.439 120.200 0.016 0.000 2.313 205 E HA 0.153 4.505 4.350 0.004 0.000 0.276 205 E C -0.864 175.757 176.600 0.034 0.000 1.031 205 E CA 0.130 56.543 56.400 0.022 0.000 0.857 205 E CB 0.766 30.476 29.700 0.017 0.000 1.040 205 E HN 0.357 nan 8.360 nan 0.000 0.408 206 E N 2.082 122.312 120.200 0.051 0.000 2.454 206 E HA 0.199 4.552 4.350 0.004 0.000 0.279 206 E C -1.641 175.009 176.600 0.083 0.000 1.029 206 E CA -0.895 55.539 56.400 0.056 0.000 0.831 206 E CB 1.071 30.803 29.700 0.054 0.000 1.405 206 E HN 0.423 nan 8.360 nan 0.000 0.463 207 D N 0.508 120.950 120.400 0.070 0.000 2.443 207 D HA 0.189 4.832 4.640 0.004 0.000 0.239 207 D C -1.201 175.199 176.300 0.167 0.000 1.136 207 D CA 0.752 54.809 54.000 0.095 0.000 0.879 207 D CB 0.279 41.117 40.800 0.064 0.000 1.195 207 D HN 0.141 nan 8.370 nan 0.000 0.443 208 F N 1.934 121.909 119.950 0.042 0.000 2.745 208 F HA 0.151 4.680 4.527 0.003 0.000 0.343 208 F C -0.499 175.342 175.800 0.069 0.000 1.196 208 F CA -0.673 57.376 58.000 0.081 0.000 1.021 208 F CB 0.853 39.896 39.000 0.072 0.000 1.297 208 F HN 0.327 nan 8.300 nan 0.000 0.486 209 H N 6.402 125.374 119.070 -0.164 0.000 3.289 209 H HA 0.131 4.689 4.556 0.004 0.000 0.248 209 H C 1.248 176.620 175.328 0.074 0.000 1.175 209 H CA 0.587 56.603 56.048 -0.052 0.000 1.496 209 H CB 1.091 30.776 29.762 -0.127 0.000 1.571 209 H HN 0.658 nan 8.280 nan 0.000 0.495 210 V N 0.547 120.578 119.914 0.196 0.000 3.406 210 V HA 0.094 4.216 4.120 0.004 0.000 0.263 210 V C 0.293 176.466 176.094 0.132 0.000 1.172 210 V CA 0.674 63.107 62.300 0.221 0.000 1.140 210 V CB 0.156 32.080 31.823 0.168 0.000 0.784 210 V HN 0.426 nan 8.190 nan 0.000 0.467 211 D N -1.562 118.893 120.400 0.091 0.000 2.652 211 D HA 0.377 5.019 4.640 0.004 0.000 0.285 211 D C 0.539 176.941 176.300 0.170 0.000 1.173 211 D CA -0.618 53.435 54.000 0.089 0.000 0.981 211 D CB 1.161 41.986 40.800 0.041 0.000 1.440 211 D HN -0.193 nan 8.370 nan 0.000 0.485 212 Q N -0.188 119.699 119.800 0.144 0.000 2.435 212 Q HA 0.031 4.373 4.340 0.004 0.000 0.207 212 Q C 1.243 177.361 176.000 0.197 0.000 0.956 212 Q CA 0.789 56.701 55.803 0.181 0.000 0.917 212 Q CB 0.698 29.487 28.738 0.085 0.000 0.997 212 Q HN 0.415 nan 8.270 nan 0.000 0.497 213 V N -4.671 115.301 119.914 0.096 0.000 3.451 213 V HA 0.270 4.392 4.120 0.004 0.000 0.288 213 V C 0.483 176.544 176.094 -0.055 0.000 1.502 213 V CA -0.221 62.103 62.300 0.041 0.000 1.026 213 V CB 0.988 32.829 31.823 0.030 0.000 0.840 213 V HN -0.080 nan 8.190 nan 0.000 0.437 214 T N 2.364 116.852 114.554 -0.110 0.000 2.885 214 T HA 0.734 5.087 4.350 0.004 0.000 0.285 214 T C -0.015 174.513 174.700 -0.286 0.000 1.019 214 T CA 0.223 62.239 62.100 -0.140 0.000 1.010 214 T CB 1.966 70.804 68.868 -0.050 0.000 1.022 214 T HN 0.677 nan 8.240 nan 0.000 0.466 215 T N -1.394 113.033 114.554 -0.212 0.000 2.887 215 T HA 0.854 5.207 4.350 0.004 0.000 0.292 215 T C -0.971 173.714 174.700 -0.026 0.000 1.087 215 T CA -0.776 61.215 62.100 -0.181 0.000 1.009 215 T CB 1.603 70.343 68.868 -0.213 0.000 1.203 215 T HN 0.465 nan 8.240 nan 0.000 0.518 216 V N 0.808 120.756 119.914 0.057 0.000 3.087 216 V HA 0.561 4.683 4.120 0.004 0.000 0.306 216 V C -1.239 174.913 176.094 0.096 0.000 1.187 216 V CA -1.121 61.218 62.300 0.066 0.000 0.999 216 V CB 2.610 34.472 31.823 0.065 0.000 1.049 216 V HN 0.889 nan 8.190 nan 0.000 0.431 217 K N 2.752 123.184 120.400 0.053 0.000 2.156 217 K HA 0.782 5.105 4.320 0.004 0.000 0.271 217 K C -0.711 175.913 176.600 0.039 0.000 0.995 217 K CA -0.329 55.991 56.287 0.055 0.000 0.890 217 K CB 1.848 34.366 32.500 0.030 0.000 1.073 217 K HN 0.719 nan 8.250 nan 0.000 0.454 218 V N -1.160 118.788 119.914 0.057 0.000 3.087 218 V HA 0.520 4.642 4.120 0.004 0.000 0.306 218 V C -2.764 173.350 176.094 0.033 0.000 1.187 218 V CA -2.467 59.847 62.300 0.024 0.000 0.999 218 V CB 2.208 34.033 31.823 0.003 0.000 1.049 218 V HN 0.531 nan 8.190 nan 0.000 0.431 219 P HA 0.246 nan 4.420 nan 0.000 0.269 219 P C -0.775 176.519 177.300 -0.011 0.000 1.263 219 P CA 0.144 63.244 63.100 -0.001 0.000 0.813 219 P CB 0.856 32.550 31.700 -0.011 0.000 0.868 220 M N 5.515 125.114 119.600 -0.003 0.000 2.080 220 M HA 0.296 4.779 4.480 0.004 0.000 0.350 220 M C -0.096 176.139 176.300 -0.108 0.000 1.173 220 M CA -0.395 54.892 55.300 -0.023 0.000 1.052 220 M CB 0.383 33.015 32.600 0.053 0.000 1.577 220 M HN 0.240 nan 8.290 nan 0.000 0.455 221 M N 4.900 124.347 119.600 -0.256 0.000 2.247 221 M HA 0.448 4.931 4.480 0.004 0.000 0.326 221 M C -0.391 175.622 176.300 -0.479 0.000 1.134 221 M CA -0.186 54.853 55.300 -0.435 0.000 1.136 221 M CB 0.906 32.993 32.600 -0.855 0.000 1.454 221 M HN 0.589 nan 8.290 nan 0.000 0.467 222 K N 0.942 121.141 120.400 -0.336 0.000 2.542 222 K HA 0.762 5.084 4.320 0.004 0.000 0.259 222 K C -1.475 175.195 176.600 0.115 0.000 0.932 222 K CA -1.111 55.015 56.287 -0.269 0.000 0.820 222 K CB 2.600 34.773 32.500 -0.545 0.000 1.345 222 K HN 0.750 nan 8.250 nan 0.000 0.432 223 R N 2.144 122.753 120.500 0.181 0.000 2.522 223 R HA 0.297 4.640 4.340 0.004 0.000 0.273 223 R C -1.957 174.500 176.300 0.262 0.000 1.133 223 R CA -0.880 55.372 56.100 0.253 0.000 0.969 223 R CB 1.509 31.988 30.300 0.299 0.000 1.235 223 R HN 0.729 nan 8.270 nan 0.000 0.433 224 L N 4.089 125.400 121.223 0.147 0.000 2.264 224 L HA 0.832 5.175 4.340 0.004 0.000 0.289 224 L C -0.441 176.489 176.870 0.100 0.000 1.044 224 L CA 0.595 55.526 54.840 0.152 0.000 0.807 224 L CB 1.319 43.414 42.059 0.059 0.000 1.192 224 L HN 0.802 nan 8.230 nan 0.000 0.425 225 G N 4.386 113.250 108.800 0.106 0.000 2.489 225 G HA2 0.342 4.304 3.960 0.004 0.000 0.305 225 G HA3 0.342 4.304 3.960 0.004 0.000 0.305 225 G C -1.429 173.292 174.900 -0.298 0.000 1.311 225 G CA -1.004 43.958 45.100 -0.230 0.000 0.813 225 G HN 0.289 nan 8.290 nan 0.000 0.480 226 M N 1.114 120.488 119.600 -0.376 0.000 2.135 226 M HA 0.464 4.947 4.480 0.004 0.000 0.345 226 M C -1.230 174.808 176.300 -0.435 0.000 1.340 226 M CA -0.314 54.840 55.300 -0.243 0.000 1.162 226 M CB -0.574 31.931 32.600 -0.158 0.000 1.570 226 M HN 0.266 nan 8.290 nan 0.000 0.454 227 F N 1.122 121.038 119.950 -0.058 0.000 2.470 227 F HA 0.315 4.845 4.527 0.004 0.000 0.329 227 F C 1.279 177.056 175.800 -0.038 0.000 1.072 227 F CA -0.728 57.224 58.000 -0.081 0.000 0.989 227 F CB 1.043 39.990 39.000 -0.088 0.000 1.193 227 F HN 0.516 nan 8.300 nan 0.000 0.481 228 N N 1.896 120.685 118.700 0.149 0.000 3.091 228 N HA 0.178 4.920 4.740 0.004 0.000 0.301 228 N C -0.822 174.765 175.510 0.127 0.000 1.325 228 N CA -0.168 52.941 53.050 0.099 0.000 1.143 228 N CB -0.128 38.389 38.487 0.049 0.000 1.450 228 N HN 0.415 nan 8.380 nan 0.000 0.542 229 I N 1.413 122.094 120.570 0.185 0.000 2.488 229 I HA 0.266 4.439 4.170 0.004 0.000 0.299 229 I C -0.695 175.596 176.117 0.291 0.000 0.984 229 I CA -0.134 61.294 61.300 0.214 0.000 1.250 229 I CB 1.187 39.298 38.000 0.184 0.000 1.389 229 I HN 0.285 nan 8.210 nan 0.000 0.488 230 Q N 6.048 126.056 119.800 0.346 0.000 2.630 230 Q HA 0.396 4.738 4.340 0.004 0.000 0.295 230 Q C -1.557 174.543 176.000 0.167 0.000 0.944 230 Q CA -0.769 55.196 55.803 0.270 0.000 0.766 230 Q CB 1.907 30.759 28.738 0.191 0.000 1.471 230 Q HN 0.758 nan 8.270 nan 0.000 0.416 234 K N 1.696 122.131 120.400 0.059 0.000 2.032 234 K HA 0.046 4.369 4.320 0.004 0.000 0.209 234 K C 1.724 178.453 176.600 0.215 0.000 1.048 234 K CA 1.482 57.834 56.287 0.107 0.000 0.927 234 K CB -0.033 32.507 32.500 0.067 0.000 0.712 234 K HN 0.029 nan 8.250 nan 0.000 0.441 235 L N 0.559 121.878 121.223 0.159 0.000 2.591 235 L HA 0.093 4.436 4.340 0.004 0.000 0.228 235 L C 0.149 177.106 176.870 0.144 0.000 1.133 235 L CA -0.088 54.870 54.840 0.195 0.000 0.880 235 L CB 0.130 42.281 42.059 0.152 0.000 1.033 235 L HN 0.095 nan 8.230 nan 0.000 0.450 236 S N 0.788 116.471 115.700 -0.029 0.000 3.628 236 S HA -0.142 4.331 4.470 0.004 0.000 0.373 236 S C 0.016 174.529 174.600 -0.145 0.000 0.968 236 S CA 0.672 58.787 58.200 -0.142 0.000 1.215 236 S CB -1.444 61.580 63.200 -0.294 0.000 0.912 236 S HN 0.711 nan 8.310 nan 0.000 0.495 237 S N -1.690 113.808 115.700 -0.336 0.000 2.578 237 S HA 0.595 5.067 4.470 0.004 0.000 0.272 237 S C -1.058 173.307 174.600 -0.392 0.000 1.145 237 S CA -1.274 56.778 58.200 -0.247 0.000 0.835 237 S CB 0.513 63.752 63.200 0.064 0.000 1.104 237 S HN 0.364 nan 8.310 nan 0.000 0.458 238 W N 1.339 122.516 121.300 -0.205 0.000 2.304 238 W HA 0.543 5.206 4.660 0.005 0.000 0.313 238 W C -0.465 176.015 176.519 -0.065 0.000 1.323 238 W CA -0.275 57.004 57.345 -0.110 0.000 1.223 238 W CB 1.040 30.453 29.460 -0.079 0.000 1.237 238 W HN 0.505 nan 8.180 nan 0.000 0.535 239 V N 6.550 126.533 119.914 0.115 0.000 2.334 239 V HA 0.286 4.408 4.120 0.004 0.000 0.281 239 V C -0.623 175.407 176.094 -0.106 0.000 1.016 239 V CA -0.981 61.201 62.300 -0.196 0.000 0.832 239 V CB 0.928 32.340 31.823 -0.686 0.000 0.999 239 V HN 0.296 nan 8.190 nan 0.000 0.439 240 L N 6.819 128.002 121.223 -0.067 0.000 2.305 240 L HA 0.660 5.003 4.340 0.004 0.000 0.284 240 L C -0.890 175.932 176.870 -0.080 0.000 1.013 240 L CA -0.155 54.681 54.840 -0.007 0.000 0.819 240 L CB 1.393 43.478 42.059 0.044 0.000 1.227 240 L HN 0.504 nan 8.230 nan 0.000 0.417 241 L N 6.598 127.789 121.223 -0.054 0.000 2.272 241 L HA 0.449 4.792 4.340 0.004 0.000 0.284 241 L C -0.290 176.555 176.870 -0.041 0.000 1.045 241 L CA 0.091 54.892 54.840 -0.066 0.000 0.842 241 L CB 1.020 43.062 42.059 -0.029 0.000 1.224 241 L HN 0.570 nan 8.230 nan 0.000 0.430 242 M N 4.848 124.407 119.600 -0.068 0.000 2.108 242 M HA 0.219 4.702 4.480 0.004 0.000 0.347 242 M C 0.087 176.361 176.300 -0.043 0.000 1.326 242 M CA -0.635 54.583 55.300 -0.137 0.000 1.126 242 M CB 1.040 33.450 32.600 -0.318 0.000 1.606 242 M HN 0.403 nan 8.290 nan 0.000 0.462 243 K N 3.462 123.847 120.400 -0.024 0.000 2.379 243 K HA 0.174 4.496 4.320 0.004 0.000 0.284 243 K C -1.258 175.449 176.600 0.178 0.000 1.044 243 K CA 0.062 56.384 56.287 0.058 0.000 0.974 243 K CB 0.331 32.831 32.500 -0.000 0.000 0.962 243 K HN 0.355 nan 8.250 nan 0.000 0.474 244 Y N 1.673 122.132 120.300 0.264 0.000 2.334 244 Y HA 0.196 4.748 4.550 0.003 0.000 0.328 244 Y C 0.153 176.141 175.900 0.147 0.000 1.130 244 Y CA -1.357 56.888 58.100 0.242 0.000 1.163 244 Y CB 1.450 40.036 38.460 0.211 0.000 1.207 244 Y HN 0.553 nan 8.280 nan 0.000 0.471 245 L N 4.270 125.706 121.223 0.354 0.000 2.536 245 L HA 0.446 4.788 4.340 0.004 0.000 0.282 245 L C 0.444 177.415 176.870 0.169 0.000 1.147 245 L CA 1.190 56.150 54.840 0.200 0.000 0.936 245 L CB -1.045 41.106 42.059 0.153 0.000 1.279 245 L HN 0.871 nan 8.230 nan 0.000 0.461 246 G N 3.280 112.171 108.800 0.152 0.000 2.070 246 G HA2 -0.038 3.924 3.960 0.004 0.000 0.076 246 G HA3 -0.038 3.924 3.960 0.004 0.000 0.076 246 G C -0.221 174.743 174.900 0.107 0.000 0.735 246 G CA 0.141 45.312 45.100 0.119 0.000 1.158 246 G HN 0.684 nan 8.290 nan 0.000 0.393 247 N N 0.521 119.287 118.700 0.109 0.000 2.278 247 N HA 0.507 5.249 4.740 0.004 0.000 0.239 247 N C -0.221 175.333 175.510 0.073 0.000 1.411 247 N CA 0.712 53.810 53.050 0.080 0.000 0.908 247 N CB 0.609 39.127 38.487 0.051 0.000 1.307 247 N HN 1.250 nan 8.380 nan 0.000 0.522 248 A N 0.082 122.983 122.820 0.134 0.000 2.413 248 A HA 0.854 5.176 4.320 0.004 0.000 0.307 248 A C -0.760 177.006 177.584 0.304 0.000 1.087 248 A CA -0.344 51.778 52.037 0.141 0.000 0.750 248 A CB 1.668 20.664 19.000 -0.006 0.000 1.296 248 A HN 0.054 nan 8.150 nan 0.000 0.423 249 T N 1.424 116.115 114.554 0.228 0.000 2.841 249 T HA 0.618 4.971 4.350 0.004 0.000 0.285 249 T C -0.131 174.655 174.700 0.144 0.000 0.991 249 T CA 0.061 62.270 62.100 0.181 0.000 0.966 249 T CB 1.439 70.361 68.868 0.090 0.000 0.962 249 T HN 1.187 nan 8.240 nan 0.000 0.438 250 A N 4.236 127.099 122.820 0.072 0.000 2.320 250 A HA 0.725 5.047 4.320 0.004 0.000 0.287 250 A C -0.143 177.210 177.584 -0.385 0.000 1.181 250 A CA -0.512 51.446 52.037 -0.131 0.000 0.831 250 A CB -0.135 18.788 19.000 -0.129 0.000 1.102 250 A HN 0.859 nan 8.150 nan 0.000 0.513 251 I N 2.489 122.795 120.570 -0.440 0.000 2.378 251 I HA 0.432 4.604 4.170 0.004 0.000 0.291 251 I C -1.207 174.492 176.117 -0.697 0.000 0.992 251 I CA -0.253 60.748 61.300 -0.499 0.000 1.154 251 I CB 1.433 39.255 38.000 -0.296 0.000 1.315 251 I HN 0.510 nan 8.210 nan 0.000 0.448 252 F N 5.508 125.204 119.950 -0.424 0.000 2.495 252 F HA 0.558 5.088 4.527 0.005 0.000 0.327 252 F C -0.546 175.061 175.800 -0.321 0.000 1.103 252 F CA -0.683 57.181 58.000 -0.226 0.000 0.949 252 F CB 1.566 40.221 39.000 -0.574 0.000 1.142 252 F HN 0.149 nan 8.300 nan 0.000 0.457 253 F N 3.821 124.122 119.950 0.585 0.000 2.445 253 F HA 0.451 4.983 4.527 0.008 0.000 0.348 253 F C -0.634 175.446 175.800 0.467 0.000 1.125 253 F CA -0.821 57.418 58.000 0.399 0.000 0.983 253 F CB 1.544 40.686 39.000 0.238 0.000 1.198 253 F HN 0.165 nan 8.300 nan 0.000 0.436 254 L N 7.672 129.133 121.223 0.396 0.000 2.287 254 L HA 0.540 4.882 4.340 0.004 0.000 0.280 254 L C -2.294 174.666 176.870 0.150 0.000 1.055 254 L CA -2.571 52.329 54.840 0.100 0.000 0.863 254 L CB 0.275 42.016 42.059 -0.529 0.000 1.245 254 L HN 0.188 nan 8.230 nan 0.000 0.432 255 P HA 0.059 nan 4.420 nan 0.000 0.269 255 P C -0.573 176.776 177.300 0.081 0.000 1.209 255 P CA -0.187 62.990 63.100 0.128 0.000 0.776 255 P CB 0.909 32.694 31.700 0.143 0.000 0.876 256 D N 0.549 120.984 120.400 0.058 0.000 2.312 256 D HA -0.007 4.636 4.640 0.004 0.000 0.244 256 D C 0.504 176.819 176.300 0.025 0.000 1.328 256 D CA 0.037 54.072 54.000 0.058 0.000 0.965 256 D CB 0.020 40.847 40.800 0.045 0.000 1.140 256 D HN 0.428 nan 8.370 nan 0.000 0.523 257 E N -0.329 119.875 120.200 0.007 0.000 2.383 257 E HA 0.202 4.554 4.350 0.004 0.000 0.257 257 E C 0.627 177.226 176.600 -0.002 0.000 1.079 257 E CA 0.359 56.753 56.400 -0.011 0.000 0.934 257 E CB -0.352 29.334 29.700 -0.023 0.000 0.978 257 E HN 0.617 nan 8.360 nan 0.000 0.462 258 G N 4.810 113.617 108.800 0.011 0.000 2.155 258 G HA2 -0.276 3.686 3.960 0.004 0.000 0.257 258 G HA3 -0.276 3.686 3.960 0.004 0.000 0.257 258 G C 0.490 175.406 174.900 0.025 0.000 0.983 258 G CA 0.220 45.331 45.100 0.020 0.000 0.676 258 G HN 0.529 nan 8.290 nan 0.000 0.528 259 K N -0.235 120.181 120.400 0.027 0.000 2.814 259 K HA 0.365 4.687 4.320 0.004 0.000 0.213 259 K C 1.711 178.367 176.600 0.093 0.000 1.113 259 K CA -0.336 55.972 56.287 0.035 0.000 1.145 259 K CB 0.499 32.977 32.500 -0.035 0.000 0.948 259 K HN 0.379 nan 8.250 nan 0.000 0.464 260 L N 0.902 122.180 121.223 0.093 0.000 2.068 260 L HA -0.078 4.265 4.340 0.004 0.000 0.204 260 L C 2.316 179.246 176.870 0.100 0.000 1.076 260 L CA 1.912 56.819 54.840 0.110 0.000 0.753 260 L CB -0.243 41.882 42.059 0.110 0.000 0.910 260 L HN 0.116 nan 8.230 nan 0.000 0.439 261 Q N -0.932 118.916 119.800 0.080 0.000 2.084 261 Q HA -0.286 4.057 4.340 0.004 0.000 0.202 261 Q C 2.272 178.312 176.000 0.067 0.000 0.978 261 Q CA 2.216 58.052 55.803 0.054 0.000 0.844 261 Q CB -0.425 28.335 28.738 0.037 0.000 0.898 261 Q HN 0.752 nan 8.270 nan 0.000 0.426 262 H N -0.820 118.251 119.070 0.001 0.000 2.293 262 H HA -0.149 4.412 4.556 0.009 0.000 0.300 262 H C 1.781 177.087 175.328 -0.037 0.000 1.082 262 H CA 1.879 57.919 56.048 -0.012 0.000 1.308 262 H CB -0.341 29.417 29.762 -0.006 0.000 1.375 262 H HN 0.332 nan 8.280 nan 0.000 0.495 263 L N 1.126 122.436 121.223 0.145 0.000 1.990 263 L HA -0.200 4.142 4.340 0.004 0.000 0.213 263 L C 1.996 178.778 176.870 -0.147 0.000 1.072 263 L CA 2.239 57.090 54.840 0.018 0.000 0.755 263 L CB -0.718 41.374 42.059 0.054 0.000 0.889 263 L HN 0.459 nan 8.230 nan 0.000 0.432 264 E N -0.536 119.617 120.200 -0.078 0.000 2.160 264 E HA -0.211 4.142 4.350 0.004 0.000 0.195 264 E C 1.686 178.203 176.600 -0.138 0.000 0.991 264 E CA 1.300 57.651 56.400 -0.082 0.000 0.810 264 E CB -0.263 29.507 29.700 0.117 0.000 0.742 264 E HN 0.624 nan 8.360 nan 0.000 0.466 265 N N 0.380 118.997 118.700 -0.139 0.000 2.395 265 N HA -0.058 4.684 4.740 0.004 0.000 0.175 265 N C 1.353 176.709 175.510 -0.256 0.000 1.029 265 N CA 0.608 53.562 53.050 -0.161 0.000 0.897 265 N CB 0.222 38.640 38.487 -0.116 0.000 0.991 265 N HN 0.109 nan 8.380 nan 0.000 0.441 266 E N 0.724 120.724 120.200 -0.334 0.000 2.442 266 E HA 0.121 4.474 4.350 0.004 0.000 0.195 266 E C 0.491 176.914 176.600 -0.294 0.000 1.030 266 E CA -0.151 56.054 56.400 -0.324 0.000 0.869 266 E CB 0.187 29.655 29.700 -0.387 0.000 0.857 266 E HN 0.343 nan 8.360 nan 0.000 0.505 267 L N 2.048 123.026 121.223 -0.407 0.000 2.525 267 L HA 0.017 4.360 4.340 0.004 0.000 0.278 267 L C 0.701 177.213 176.870 -0.596 0.000 1.218 267 L CA 0.517 55.027 54.840 -0.550 0.000 0.878 267 L CB 0.073 41.619 42.059 -0.854 0.000 1.127 267 L HN 0.008 nan 8.230 nan 0.000 0.492 268 T N -2.263 112.105 114.554 -0.311 0.000 2.956 268 T HA 0.148 4.500 4.350 0.004 0.000 0.312 268 T C 0.679 175.525 174.700 0.242 0.000 1.151 268 T CA -0.760 61.309 62.100 -0.053 0.000 1.024 268 T CB 1.238 70.084 68.868 -0.035 0.000 1.140 268 T HN 0.700 nan 8.240 nan 0.000 0.473 269 H N 1.311 120.602 119.070 0.369 0.000 2.390 269 H HA -0.177 4.378 4.556 -0.003 0.000 0.298 269 H C 1.392 176.793 175.328 0.121 0.000 1.106 269 H CA 2.202 58.402 56.048 0.253 0.000 1.297 269 H CB 0.138 29.979 29.762 0.132 0.000 1.375 269 H HN 0.793 nan 8.280 nan 0.000 0.509 270 D N 0.880 121.236 120.400 -0.073 0.000 2.088 270 D HA -0.157 4.485 4.640 0.004 0.000 0.191 270 D C 2.514 178.716 176.300 -0.163 0.000 0.992 270 D CA 1.540 55.432 54.000 -0.180 0.000 0.831 270 D CB -0.466 40.277 40.800 -0.094 0.000 0.973 270 D HN 0.530 nan 8.370 nan 0.000 0.447 271 I N 0.527 121.028 120.570 -0.115 0.000 2.248 271 I HA -0.269 3.904 4.170 0.004 0.000 0.248 271 I C 2.549 178.554 176.117 -0.186 0.000 1.107 271 I CA 0.758 61.934 61.300 -0.208 0.000 1.373 271 I CB -0.216 37.722 38.000 -0.104 0.000 1.055 271 I HN 0.101 nan 8.210 nan 0.000 0.418 272 I N 0.080 120.718 120.570 0.113 0.000 2.439 272 I HA -0.210 3.963 4.170 0.004 0.000 0.251 272 I C 2.408 178.629 176.117 0.174 0.000 1.139 272 I CA 1.285 62.791 61.300 0.344 0.000 1.438 272 I CB -0.443 37.808 38.000 0.419 0.000 1.085 272 I HN 0.208 nan 8.210 nan 0.000 0.427 273 T N 0.314 114.857 114.554 -0.019 0.000 2.904 273 T HA -0.172 4.180 4.350 0.004 0.000 0.267 273 T C 1.918 176.580 174.700 -0.064 0.000 1.059 273 T CA 1.047 63.105 62.100 -0.070 0.000 1.137 273 T CB -0.091 68.631 68.868 -0.243 0.000 0.879 273 T HN 0.263 nan 8.240 nan 0.000 0.467 274 K N 0.124 120.430 120.400 -0.157 0.000 2.057 274 K HA -0.082 4.240 4.320 0.004 0.000 0.207 274 K C 1.812 178.325 176.600 -0.146 0.000 1.049 274 K CA 1.306 57.463 56.287 -0.216 0.000 0.931 274 K CB -0.209 32.058 32.500 -0.390 0.000 0.714 274 K HN 0.230 nan 8.250 nan 0.000 0.440 275 F N 1.314 121.294 119.950 0.050 0.000 2.146 275 F HA -0.129 4.402 4.527 0.006 0.000 0.298 275 F C 2.052 177.876 175.800 0.041 0.000 1.096 275 F CA 0.924 58.959 58.000 0.058 0.000 1.275 275 F CB -0.600 38.456 39.000 0.092 0.000 1.008 275 F HN -0.021 nan 8.300 nan 0.000 0.480 276 L N -0.224 121.128 121.223 0.214 0.000 2.012 276 L HA -0.203 4.139 4.340 0.004 0.000 0.210 276 L C 2.316 179.237 176.870 0.085 0.000 1.073 276 L CA 1.355 56.272 54.840 0.129 0.000 0.748 276 L CB -0.702 41.416 42.059 0.098 0.000 0.891 276 L HN 0.092 nan 8.230 nan 0.000 0.431 277 E N -0.015 120.219 120.200 0.058 0.000 2.409 277 E HA -0.118 4.234 4.350 0.004 0.000 0.198 277 E C 0.619 177.247 176.600 0.047 0.000 1.024 277 E CA 0.175 56.597 56.400 0.037 0.000 0.861 277 E CB -0.653 29.054 29.700 0.010 0.000 0.788 277 E HN 0.503 nan 8.360 nan 0.000 0.521 278 N N 1.575 120.321 118.700 0.077 0.000 2.420 278 N HA -0.017 4.725 4.740 0.004 0.000 0.262 278 N C -0.064 175.491 175.510 0.076 0.000 1.144 278 N CA 0.147 53.250 53.050 0.088 0.000 0.952 278 N CB 0.494 39.072 38.487 0.151 0.000 1.081 278 N HN -0.038 nan 8.380 nan 0.000 0.480 279 E N 1.902 122.134 120.200 0.054 0.000 2.624 279 E HA 0.095 4.447 4.350 0.004 0.000 0.210 279 E C -0.795 175.825 176.600 0.033 0.000 0.997 279 E CA -0.392 56.031 56.400 0.038 0.000 0.999 279 E CB 0.587 30.303 29.700 0.026 0.000 1.040 279 E HN 0.608 nan 8.360 nan 0.000 0.469 280 D N 1.145 121.575 120.400 0.049 0.000 2.354 280 D HA 0.331 4.973 4.640 0.004 0.000 0.247 280 D C 0.192 176.521 176.300 0.049 0.000 1.138 280 D CA 0.183 54.212 54.000 0.048 0.000 0.958 280 D CB 1.043 41.880 40.800 0.062 0.000 1.144 280 D HN -0.062 nan 8.370 nan 0.000 0.458 281 R N -0.352 120.174 120.500 0.044 0.000 2.629 281 R HA 0.454 4.796 4.340 0.004 0.000 0.266 281 R C -0.663 175.668 176.300 0.053 0.000 1.051 281 R CA -0.836 55.290 56.100 0.043 0.000 0.895 281 R CB 2.575 32.868 30.300 -0.011 0.000 1.246 281 R HN 0.489 nan 8.270 nan 0.000 0.459 282 R N -0.896 119.653 120.500 0.082 0.000 2.799 282 R HA 0.528 4.871 4.340 0.004 0.000 0.270 282 R C -0.938 175.421 176.300 0.099 0.000 1.010 282 R CA -0.979 55.173 56.100 0.087 0.000 0.916 282 R CB 1.453 31.823 30.300 0.117 0.000 1.228 282 R HN 0.603 nan 8.270 nan 0.000 0.469 283 S N 0.516 116.265 115.700 0.082 0.000 2.548 283 S HA 0.675 5.147 4.470 0.004 0.000 0.277 283 S C -0.097 174.582 174.600 0.132 0.000 1.315 283 S CA -0.048 58.206 58.200 0.090 0.000 1.050 283 S CB 1.199 64.431 63.200 0.054 0.000 0.918 283 S HN 0.914 nan 8.310 nan 0.000 0.497 284 A N 2.509 125.448 122.820 0.198 0.000 2.604 284 A HA 0.683 5.005 4.320 0.004 0.000 0.295 284 A C -0.519 177.144 177.584 0.132 0.000 1.067 284 A CA -0.905 51.205 52.037 0.121 0.000 0.683 284 A CB 1.173 20.208 19.000 0.059 0.000 1.281 284 A HN 0.801 nan 8.150 nan 0.000 0.407 285 S N 1.156 116.854 115.700 -0.003 0.000 2.543 285 S HA 0.409 4.881 4.470 0.004 0.000 0.299 285 S C -0.384 174.144 174.600 -0.120 0.000 1.125 285 S CA -0.267 57.929 58.200 -0.007 0.000 1.098 285 S CB 0.009 63.229 63.200 0.034 0.000 1.063 285 S HN 0.731 nan 8.310 nan 0.000 0.493 286 L N 4.385 125.423 121.223 -0.309 0.000 2.331 286 L HA 0.404 4.746 4.340 0.004 0.000 0.278 286 L C -0.802 175.891 176.870 -0.295 0.000 1.106 286 L CA 0.243 54.809 54.840 -0.457 0.000 0.824 286 L CB 0.112 41.514 42.059 -1.096 0.000 1.142 286 L HN 0.527 nan 8.230 nan 0.000 0.443 287 H N 5.249 124.165 119.070 -0.256 0.000 2.762 287 H HA 0.563 5.121 4.556 0.004 0.000 0.310 287 H C -1.139 174.032 175.328 -0.261 0.000 1.004 287 H CA -0.388 55.523 56.048 -0.228 0.000 1.267 287 H CB 1.353 31.011 29.762 -0.173 0.000 1.437 287 H HN 0.529 nan 8.280 nan 0.000 0.498 288 L N 6.130 127.133 121.223 -0.367 0.000 2.333 288 L HA 0.549 4.892 4.340 0.004 0.000 0.280 288 L C -2.680 173.968 176.870 -0.369 0.000 1.004 288 L CA -2.278 52.271 54.840 -0.485 0.000 0.820 288 L CB 1.565 43.158 42.059 -0.777 0.000 1.247 288 L HN 0.340 nan 8.230 nan 0.000 0.416 289 P HA 0.077 nan 4.420 nan 0.000 0.271 289 P C -1.358 175.894 177.300 -0.081 0.000 1.216 289 P CA -0.358 62.718 63.100 -0.040 0.000 0.776 289 P CB 0.802 32.600 31.700 0.163 0.000 0.881 290 K N 4.037 124.398 120.400 -0.066 0.000 2.234 290 K HA 0.500 4.823 4.320 0.004 0.000 0.282 290 K C -0.274 176.316 176.600 -0.017 0.000 1.039 290 K CA -0.574 55.690 56.287 -0.039 0.000 0.928 290 K CB 0.083 32.561 32.500 -0.036 0.000 1.039 290 K HN 0.567 nan 8.250 nan 0.000 0.470 291 L N 0.327 121.547 121.223 -0.005 0.000 2.653 291 L HA 0.469 4.812 4.340 0.004 0.000 0.257 291 L C -1.320 175.550 176.870 0.001 0.000 0.969 291 L CA -0.810 54.026 54.840 -0.007 0.000 0.869 291 L CB 2.095 44.147 42.059 -0.013 0.000 1.439 291 L HN 0.597 nan 8.230 nan 0.000 0.414 292 S N 1.845 117.551 115.700 0.010 0.000 2.158 292 S HA 0.546 5.018 4.470 0.004 0.000 0.160 292 S C -0.218 174.413 174.600 0.052 0.000 1.693 292 S CA -0.656 57.563 58.200 0.031 0.000 1.251 292 S CB -0.119 63.111 63.200 0.049 0.000 1.153 292 S HN 0.780 nan 8.310 nan 0.000 0.439 293 I N 0.007 120.615 120.570 0.063 0.000 2.834 293 I HA 0.760 4.933 4.170 0.004 0.000 0.305 293 I C -0.293 175.908 176.117 0.140 0.000 1.008 293 I CA -0.379 60.978 61.300 0.095 0.000 1.273 293 I CB 1.244 39.316 38.000 0.119 0.000 1.432 293 I HN 0.270 nan 8.210 nan 0.000 0.557 294 T N 1.956 116.596 114.554 0.142 0.000 2.901 294 T HA 0.734 5.086 4.350 0.004 0.000 0.293 294 T C -0.301 174.497 174.700 0.164 0.000 1.084 294 T CA -0.676 61.522 62.100 0.163 0.000 1.008 294 T CB 1.794 70.728 68.868 0.110 0.000 1.170 294 T HN 1.040 nan 8.240 nan 0.000 0.509 295 G N 1.188 110.095 108.800 0.179 0.000 2.704 295 G HA2 0.532 4.494 3.960 0.004 0.000 0.279 295 G HA3 0.532 4.494 3.960 0.004 0.000 0.279 295 G C -0.816 174.018 174.900 -0.110 0.000 1.510 295 G CA -0.536 44.621 45.100 0.095 0.000 1.144 295 G HN 0.647 nan 8.290 nan 0.000 0.564 296 T N 1.990 116.291 114.554 -0.422 0.000 2.771 296 T HA 0.630 4.983 4.350 0.004 0.000 0.281 296 T C -1.083 173.271 174.700 -0.577 0.000 0.982 296 T CA -0.145 61.790 62.100 -0.275 0.000 0.978 296 T CB 0.924 69.718 68.868 -0.124 0.000 0.930 296 T HN 0.392 nan 8.240 nan 0.000 0.447 297 Y N 0.591 120.996 120.300 0.176 0.000 2.524 297 Y HA 0.435 4.989 4.550 0.007 0.000 0.347 297 Y C -0.255 175.713 175.900 0.114 0.000 1.005 297 Y CA -1.592 56.584 58.100 0.126 0.000 1.025 297 Y CB 1.474 40.007 38.460 0.122 0.000 1.275 297 Y HN 0.491 nan 8.280 nan 0.000 0.460 298 D N 2.281 122.805 120.400 0.206 0.000 2.428 298 D HA 0.233 4.876 4.640 0.004 0.000 0.221 298 D C 0.564 176.897 176.300 0.055 0.000 1.123 298 D CA 0.079 54.146 54.000 0.112 0.000 0.869 298 D CB 0.744 41.572 40.800 0.047 0.000 1.032 298 D HN 0.640 nan 8.370 nan 0.000 0.506 299 L N 3.299 124.574 121.223 0.088 0.000 2.127 299 L HA -0.148 4.195 4.340 0.004 0.000 0.211 299 L C 2.403 179.121 176.870 -0.252 0.000 1.089 299 L CA 0.899 55.737 54.840 -0.003 0.000 0.757 299 L CB -0.280 41.895 42.059 0.193 0.000 0.899 299 L HN 0.426 nan 8.230 nan 0.000 0.434 300 K N -0.087 120.113 120.400 -0.333 0.000 2.032 300 K HA -0.226 4.096 4.320 0.004 0.000 0.209 300 K C 2.403 178.657 176.600 -0.578 0.000 1.048 300 K CA 1.873 57.651 56.287 -0.848 0.000 0.927 300 K CB -0.073 32.154 32.500 -0.455 0.000 0.712 300 K HN 0.151 nan 8.250 nan 0.000 0.441 301 S N -0.083 115.445 115.700 -0.286 0.000 2.329 301 S HA -0.115 4.358 4.470 0.004 0.000 0.215 301 S C 1.950 176.437 174.600 -0.189 0.000 1.031 301 S CA 1.243 59.329 58.200 -0.190 0.000 0.985 301 S CB -0.497 62.646 63.200 -0.096 0.000 0.917 301 S HN 0.286 nan 8.310 nan 0.000 0.441 302 V N 1.927 121.743 119.914 -0.163 0.000 2.252 302 V HA -0.148 3.975 4.120 0.004 0.000 0.249 302 V C 2.327 178.288 176.094 -0.222 0.000 1.056 302 V CA 2.357 64.544 62.300 -0.188 0.000 1.022 302 V CB -0.557 31.143 31.823 -0.206 0.000 0.641 302 V HN 0.620 nan 8.190 nan 0.000 0.445 303 L N 0.042 121.112 121.223 -0.256 0.000 2.217 303 L HA 0.034 4.377 4.340 0.004 0.000 0.211 303 L C 2.596 179.354 176.870 -0.185 0.000 1.107 303 L CA 1.232 55.931 54.840 -0.236 0.000 0.783 303 L CB -1.062 40.799 42.059 -0.330 0.000 0.919 303 L HN 0.495 nan 8.230 nan 0.000 0.442 304 G N -0.804 107.847 108.800 -0.248 0.000 2.432 304 G HA2 -0.221 3.741 3.960 0.004 0.000 0.219 304 G HA3 -0.221 3.741 3.960 0.004 0.000 0.219 304 G C 1.504 176.342 174.900 -0.103 0.000 1.135 304 G CA 0.185 45.183 45.100 -0.170 0.000 0.767 304 G HN 0.300 nan 8.290 nan 0.000 0.550 305 Q N -0.151 119.577 119.800 -0.121 0.000 2.224 305 Q HA 0.090 4.433 4.340 0.004 0.000 0.203 305 Q C 2.401 178.354 176.000 -0.079 0.000 0.970 305 Q CA 0.556 56.302 55.803 -0.096 0.000 0.865 305 Q CB -0.131 28.540 28.738 -0.112 0.000 0.922 305 Q HN 0.483 nan 8.270 nan 0.000 0.445 306 L N -0.595 120.578 121.223 -0.083 0.000 2.599 306 L HA 0.088 4.430 4.340 0.004 0.000 0.230 306 L C 1.121 177.980 176.870 -0.019 0.000 1.141 306 L CA 0.508 55.319 54.840 -0.048 0.000 0.877 306 L CB -0.066 41.972 42.059 -0.034 0.000 1.009 306 L HN 0.369 nan 8.230 nan 0.000 0.447 307 G N 0.377 109.164 108.800 -0.020 0.000 2.176 307 G HA2 -0.254 3.708 3.960 0.004 0.000 0.232 307 G HA3 -0.254 3.708 3.960 0.004 0.000 0.232 307 G C 0.293 175.215 174.900 0.037 0.000 0.986 307 G CA -0.431 44.672 45.100 0.006 0.000 0.643 307 G HN 0.248 nan 8.290 nan 0.000 0.522 308 I N 3.003 123.603 120.570 0.049 0.000 2.278 308 I HA 0.313 4.485 4.170 0.004 0.000 0.296 308 I C 1.594 177.884 176.117 0.288 0.000 1.121 308 I CA 0.767 62.159 61.300 0.153 0.000 1.267 308 I CB 0.658 38.745 38.000 0.146 0.000 1.447 308 I HN 0.309 nan 8.210 nan 0.000 0.509 309 T N 0.252 114.955 114.554 0.249 0.000 3.010 309 T HA 0.070 4.422 4.350 0.004 0.000 0.252 309 T C 1.638 176.503 174.700 0.276 0.000 0.963 309 T CA -0.281 61.992 62.100 0.289 0.000 0.952 309 T CB 0.081 69.022 68.868 0.122 0.000 1.182 309 T HN 0.336 nan 8.240 nan 0.000 0.495 310 K N 1.160 121.651 120.400 0.151 0.000 2.152 310 K HA -0.020 4.303 4.320 0.004 0.000 0.206 310 K C 1.998 178.616 176.600 0.028 0.000 1.048 310 K CA 1.354 57.689 56.287 0.080 0.000 0.933 310 K CB -0.355 32.174 32.500 0.048 0.000 0.721 310 K HN 0.265 nan 8.250 nan 0.000 0.447 311 V N 0.428 120.310 119.914 -0.054 0.000 2.626 311 V HA -0.173 3.950 4.120 0.004 0.000 0.252 311 V C 1.537 177.431 176.094 -0.334 0.000 1.067 311 V CA 1.435 63.585 62.300 -0.251 0.000 1.081 311 V CB -0.514 31.043 31.823 -0.444 0.000 0.686 311 V HN 0.206 nan 8.190 nan 0.000 0.468 312 F N -0.256 119.722 119.950 0.046 0.000 2.789 312 F HA 0.252 4.781 4.527 0.003 0.000 0.300 312 F C 1.464 177.273 175.800 0.015 0.000 1.132 312 F CA 0.432 58.447 58.000 0.026 0.000 1.404 312 F CB -0.068 38.952 39.000 0.033 0.000 1.114 312 F HN 0.059 nan 8.300 nan 0.000 0.584 313 S N -0.390 115.398 115.700 0.147 0.000 2.766 313 S HA 0.250 4.723 4.470 0.004 0.000 0.307 313 S C 1.259 175.887 174.600 0.048 0.000 1.121 313 S CA -0.769 57.487 58.200 0.094 0.000 0.980 313 S CB 0.629 63.881 63.200 0.086 0.000 1.159 313 S HN 0.089 nan 8.310 nan 0.000 0.546 314 N N 1.037 119.759 118.700 0.036 0.000 2.348 314 N HA -0.077 4.666 4.740 0.004 0.000 0.185 314 N C 1.339 176.857 175.510 0.012 0.000 1.019 314 N CA 1.101 54.163 53.050 0.020 0.000 0.880 314 N CB -0.464 38.033 38.487 0.017 0.000 0.965 314 N HN 0.675 nan 8.380 nan 0.000 0.437 315 G N -0.024 108.785 108.800 0.016 0.000 2.985 315 G HA2 0.275 4.238 3.960 0.004 0.000 0.209 315 G HA3 0.275 4.238 3.960 0.004 0.000 0.209 315 G C 0.420 175.320 174.900 0.001 0.000 1.165 315 G CA 0.045 45.150 45.100 0.009 0.000 0.776 315 G HN 0.362 nan 8.290 nan 0.000 0.541 316 A N 0.909 123.726 122.820 -0.003 0.000 2.566 316 A HA 0.255 4.577 4.320 0.004 0.000 0.245 316 A C 0.025 177.589 177.584 -0.032 0.000 1.056 316 A CA 0.148 52.171 52.037 -0.023 0.000 0.757 316 A CB 0.214 19.194 19.000 -0.033 0.000 0.979 316 A HN 0.152 nan 8.150 nan 0.000 0.508 317 D N 3.211 123.589 120.400 -0.037 0.000 2.499 317 D HA 0.332 4.974 4.640 0.004 0.000 0.225 317 D C -0.230 176.023 176.300 -0.079 0.000 1.124 317 D CA -0.036 53.935 54.000 -0.049 0.000 0.938 317 D CB 0.064 40.844 40.800 -0.033 0.000 1.014 317 D HN 0.461 nan 8.370 nan 0.000 0.517 318 L N 2.534 123.694 121.223 -0.105 0.000 3.073 318 L HA 0.154 4.497 4.340 0.004 0.000 0.242 318 L C 1.639 178.383 176.870 -0.211 0.000 1.317 318 L CA -0.246 54.490 54.840 -0.174 0.000 1.081 318 L CB 0.264 42.225 42.059 -0.163 0.000 1.456 318 L HN 0.115 nan 8.230 nan 0.000 0.525 319 S N 0.368 115.970 115.700 -0.163 0.000 2.419 319 S HA -0.122 4.350 4.470 0.004 0.000 0.233 319 S C 2.067 176.560 174.600 -0.180 0.000 1.016 319 S CA 1.338 59.450 58.200 -0.146 0.000 0.974 319 S CB -0.033 63.104 63.200 -0.106 0.000 0.786 319 S HN 0.711 nan 8.310 nan 0.000 0.492 320 G N 0.925 109.584 108.800 -0.236 0.000 2.484 320 G HA2 -0.028 3.935 3.960 0.004 0.000 0.218 320 G HA3 -0.028 3.935 3.960 0.004 0.000 0.218 320 G C 1.285 175.956 174.900 -0.381 0.000 1.130 320 G CA 0.597 45.545 45.100 -0.255 0.000 0.784 320 G HN 0.446 nan 8.290 nan 0.000 0.543 321 V N -0.437 119.154 119.914 -0.539 0.000 2.300 321 V HA 0.164 4.287 4.120 0.004 0.000 0.241 321 V C 1.239 177.148 176.094 -0.309 0.000 1.034 321 V CA 1.738 63.660 62.300 -0.630 0.000 1.021 321 V CB 0.144 31.500 31.823 -0.779 0.000 0.662 321 V HN 0.305 nan 8.190 nan 0.000 0.458 322 T N -1.004 113.397 114.554 -0.255 0.000 3.031 322 T HA 0.295 4.648 4.350 0.004 0.000 0.305 322 T C 0.429 175.052 174.700 -0.128 0.000 0.985 322 T CA -0.470 61.533 62.100 -0.162 0.000 1.008 322 T CB 1.777 70.554 68.868 -0.152 0.000 1.005 322 T HN 0.381 nan 8.240 nan 0.000 0.444 323 E N 2.474 122.616 120.200 -0.097 0.000 2.007 323 E HA -0.124 4.228 4.350 0.004 0.000 0.194 323 E C 1.237 177.799 176.600 -0.064 0.000 0.999 323 E CA 1.130 57.484 56.400 -0.078 0.000 0.811 323 E CB 0.134 29.798 29.700 -0.061 0.000 0.762 323 E HN 0.559 nan 8.360 nan 0.000 0.450 324 E N 0.202 120.370 120.200 -0.053 0.000 2.122 324 E HA 0.093 4.446 4.350 0.004 0.000 0.190 324 E C -0.171 176.406 176.600 -0.039 0.000 0.977 324 E CA 0.428 56.804 56.400 -0.041 0.000 0.820 324 E CB 0.252 29.933 29.700 -0.032 0.000 0.770 324 E HN 0.195 nan 8.360 nan 0.000 0.462 325 A N 1.429 124.222 122.820 -0.045 0.000 2.312 325 A HA 0.541 4.864 4.320 0.004 0.000 0.328 325 A C -2.342 175.215 177.584 -0.045 0.000 1.158 325 A CA -1.515 50.499 52.037 -0.038 0.000 0.821 325 A CB 0.254 19.235 19.000 -0.032 0.000 1.170 325 A HN -0.025 nan 8.150 nan 0.000 0.490 326 P HA 0.349 nan 4.420 nan 0.000 0.266 326 P C -1.108 176.171 177.300 -0.035 0.000 1.195 326 P CA 0.125 63.206 63.100 -0.031 0.000 0.768 326 P CB 0.830 32.519 31.700 -0.019 0.000 0.838 327 L N 2.274 123.476 121.223 -0.035 0.000 2.506 327 L HA 0.627 4.969 4.340 0.004 0.000 0.257 327 L C -1.050 175.830 176.870 0.017 0.000 0.964 327 L CA -0.488 54.339 54.840 -0.022 0.000 0.836 327 L CB 2.103 44.113 42.059 -0.081 0.000 1.384 327 L HN 0.650 nan 8.230 nan 0.000 0.410 328 K N 2.583 123.029 120.400 0.077 0.000 2.579 328 K HA 0.573 4.895 4.320 0.004 0.000 0.284 328 K C -1.876 174.775 176.600 0.084 0.000 0.990 328 K CA -0.968 55.355 56.287 0.060 0.000 0.880 328 K CB 1.576 34.091 32.500 0.025 0.000 1.488 328 K HN 0.409 nan 8.250 nan 0.000 0.425 329 L N 2.861 124.033 121.223 -0.085 0.000 2.334 329 L HA 0.263 4.606 4.340 0.004 0.000 0.286 329 L C 0.365 177.238 176.870 0.006 0.000 1.108 329 L CA 0.450 55.131 54.840 -0.264 0.000 0.875 329 L CB 0.375 42.092 42.059 -0.569 0.000 1.246 329 L HN 0.838 nan 8.230 nan 0.000 0.439 330 S N 2.204 117.894 115.700 -0.016 0.000 2.395 330 S HA 0.051 4.523 4.470 0.004 0.000 0.225 330 S C 0.595 175.237 174.600 0.070 0.000 1.027 330 S CA 0.717 58.937 58.200 0.033 0.000 0.965 330 S CB 0.041 63.215 63.200 -0.043 0.000 0.812 330 S HN 0.440 nan 8.310 nan 0.000 0.482 331 K N 0.827 121.254 120.400 0.045 0.000 2.397 331 K HA 0.696 5.019 4.320 0.004 0.000 0.253 331 K C -1.623 175.057 176.600 0.133 0.000 0.932 331 K CA -0.296 56.050 56.287 0.097 0.000 0.795 331 K CB 1.855 34.416 32.500 0.101 0.000 1.159 331 K HN 0.067 nan 8.250 nan 0.000 0.424 332 A N 3.116 126.060 122.820 0.207 0.000 2.611 332 A HA 0.557 4.880 4.320 0.004 0.000 0.282 332 A C -1.564 176.182 177.584 0.269 0.000 1.114 332 A CA -0.598 51.613 52.037 0.290 0.000 0.800 332 A CB 0.782 20.107 19.000 0.543 0.000 1.325 332 A HN 0.354 nan 8.150 nan 0.000 0.411 333 V N 2.233 122.313 119.914 0.276 0.000 2.680 333 V HA 0.565 4.687 4.120 0.004 0.000 0.309 333 V C -0.476 175.830 176.094 0.354 0.000 1.052 333 V CA -0.555 61.908 62.300 0.272 0.000 0.908 333 V CB 1.943 33.888 31.823 0.204 0.000 1.001 333 V HN 0.978 nan 8.190 nan 0.000 0.431 334 H N 3.132 122.363 119.070 0.269 0.000 2.572 334 H HA 0.713 5.272 4.556 0.006 0.000 0.359 334 H C -0.752 174.757 175.328 0.301 0.000 1.134 334 H CA -0.658 55.575 56.048 0.308 0.000 1.187 334 H CB 1.683 31.643 29.762 0.331 0.000 1.597 334 H HN 0.623 nan 8.280 nan 0.000 0.524 335 K N 3.806 124.065 120.400 -0.235 0.000 2.652 335 K HA 0.649 4.971 4.320 0.004 0.000 0.249 335 K C -1.933 174.614 176.600 -0.088 0.000 0.986 335 K CA -0.683 55.574 56.287 -0.050 0.000 0.867 335 K CB 1.126 33.660 32.500 0.057 0.000 1.201 335 K HN 0.663 nan 8.250 nan 0.000 0.450 336 A N 3.226 126.121 122.820 0.125 0.000 2.317 336 A HA 0.699 5.021 4.320 0.004 0.000 0.327 336 A C -1.019 176.815 177.584 0.417 0.000 1.178 336 A CA -0.627 51.627 52.037 0.362 0.000 0.817 336 A CB 1.324 20.693 19.000 0.614 0.000 1.189 336 A HN 0.368 nan 8.150 nan 0.000 0.489 337 V N 2.680 122.875 119.914 0.469 0.000 2.588 337 V HA 0.602 4.724 4.120 0.004 0.000 0.304 337 V C -0.782 175.395 176.094 0.139 0.000 1.042 337 V CA -0.437 62.075 62.300 0.353 0.000 0.877 337 V CB 1.357 33.496 31.823 0.527 0.000 0.996 337 V HN 0.852 nan 8.190 nan 0.000 0.425 338 L N 4.071 125.294 121.223 -0.000 0.000 2.406 338 L HA 0.770 5.112 4.340 0.004 0.000 0.272 338 L C -0.304 176.478 176.870 -0.148 0.000 0.980 338 L CA 0.374 55.069 54.840 -0.242 0.000 0.831 338 L CB 2.276 44.171 42.059 -0.273 0.000 1.253 338 L HN 0.692 nan 8.230 nan 0.000 0.406 339 T N 6.407 120.802 114.554 -0.266 0.000 2.772 339 T HA 0.591 4.943 4.350 0.004 0.000 0.288 339 T C -0.450 174.141 174.700 -0.182 0.000 0.994 339 T CA -0.258 61.749 62.100 -0.154 0.000 0.951 339 T CB 0.781 69.591 68.868 -0.097 0.000 0.933 339 T HN 0.280 nan 8.240 nan 0.000 0.447 340 I N 5.038 125.568 120.570 -0.067 0.000 2.378 340 I HA 0.509 4.682 4.170 0.004 0.000 0.291 340 I C -0.022 176.118 176.117 0.039 0.000 0.992 340 I CA -0.741 60.562 61.300 0.006 0.000 1.154 340 I CB 1.578 39.653 38.000 0.125 0.000 1.315 340 I HN 0.748 nan 8.210 nan 0.000 0.448 341 D N 4.016 124.462 120.400 0.076 0.000 3.158 341 D HA 0.221 4.863 4.640 0.004 0.000 0.314 341 D C 0.380 176.869 176.300 0.315 0.000 1.308 341 D CA -0.319 53.751 54.000 0.117 0.000 1.001 341 D CB 0.605 41.431 40.800 0.044 0.000 1.389 341 D HN 0.175 nan 8.370 nan 0.000 0.595 342 E N -0.614 119.751 120.200 0.275 0.000 2.152 342 E HA 0.076 4.428 4.350 0.004 0.000 0.192 342 E C 0.084 176.999 176.600 0.525 0.000 0.983 342 E CA 1.078 57.751 56.400 0.454 0.000 0.818 342 E CB 0.095 29.965 29.700 0.282 0.000 0.758 342 E HN 0.384 nan 8.360 nan 0.000 0.467 343 K N -1.210 119.341 120.400 0.253 0.000 2.165 343 K HA 0.118 4.441 4.320 0.004 0.000 0.385 343 K C 0.370 176.981 176.600 0.017 0.000 1.630 343 K CA 0.167 56.534 56.287 0.134 0.000 1.165 343 K CB -0.387 32.238 32.500 0.208 0.000 1.401 343 K HN 0.188 nan 8.250 nan 0.000 0.471 344 G N 2.753 111.496 108.800 -0.096 0.000 2.679 344 G HA2 -0.447 3.515 3.960 0.004 0.000 0.373 344 G HA3 -0.447 3.515 3.960 0.004 0.000 0.373 344 G C 0.062 174.941 174.900 -0.035 0.000 1.114 344 G CA 1.451 46.491 45.100 -0.101 0.000 0.898 344 G HN 0.997 nan 8.290 nan 0.000 0.648 345 T N -2.512 112.034 114.554 -0.013 0.000 2.906 345 T HA 0.617 4.970 4.350 0.004 0.000 0.295 345 T C -0.348 174.363 174.700 0.019 0.000 1.061 345 T CA 0.183 62.286 62.100 0.005 0.000 1.000 345 T CB 2.471 71.340 68.868 0.002 0.000 1.103 345 T HN 0.725 nan 8.240 nan 0.000 0.486 346 E N 0.793 121.007 120.200 0.023 0.000 2.491 346 E HA 0.403 4.755 4.350 0.004 0.000 0.250 346 E C -0.081 176.533 176.600 0.024 0.000 1.061 346 E CA -0.149 56.268 56.400 0.028 0.000 0.942 346 E CB -0.206 29.509 29.700 0.024 0.000 0.957 346 E HN 0.837 nan 8.360 nan 0.000 0.480 347 A N 3.564 126.402 122.820 0.029 0.000 3.065 347 A HA 0.680 5.002 4.320 0.004 0.000 0.293 347 A C -0.844 176.759 177.584 0.032 0.000 1.213 347 A CA -0.110 51.944 52.037 0.027 0.000 0.667 347 A CB 0.231 19.247 19.000 0.026 0.000 1.412 347 A HN 0.630 nan 8.150 nan 0.000 0.601 348 A N 0.431 123.271 122.820 0.033 0.000 2.701 348 A HA 0.398 4.720 4.320 0.004 0.000 0.290 348 A C 1.471 179.084 177.584 0.049 0.000 1.534 348 A CA 0.771 52.830 52.037 0.036 0.000 1.137 348 A CB -1.456 17.566 19.000 0.036 0.000 1.032 348 A HN 1.951 nan 8.150 nan 0.000 0.580 349 G N 2.281 111.108 108.800 0.046 0.000 2.469 349 G HA2 0.186 4.149 3.960 0.004 0.000 0.220 349 G HA3 0.186 4.149 3.960 0.004 0.000 0.220 349 G C 1.008 175.955 174.900 0.080 0.000 1.136 349 G CA 0.806 45.941 45.100 0.058 0.000 0.759 349 G HN 2.439 nan 8.290 nan 0.000 0.562 350 A N -1.129 121.730 122.820 0.065 0.000 1.524 350 A HA 0.006 4.328 4.320 0.004 0.000 0.196 350 A C 0.258 177.904 177.584 0.103 0.000 1.263 350 A CA 0.785 52.873 52.037 0.086 0.000 0.624 350 A CB -1.307 17.759 19.000 0.109 0.000 1.151 350 A HN 0.351 nan 8.150 nan 0.000 0.179 351 M N 4.010 123.630 119.600 0.034 0.000 2.084 351 M HA 0.606 5.089 4.480 0.004 0.000 0.351 351 M C 0.068 176.354 176.300 -0.024 0.000 1.240 351 M CA -0.750 54.510 55.300 -0.067 0.000 1.083 351 M CB -0.768 31.768 32.600 -0.107 0.000 1.593 351 M HN 0.727 nan 8.290 nan 0.000 0.463 352 F N 1.765 121.695 119.950 -0.034 0.000 2.518 352 F HA 0.956 5.486 4.527 0.005 0.000 0.338 352 F C -1.103 174.665 175.800 -0.053 0.000 1.065 352 F CA -1.395 56.579 58.000 -0.043 0.000 1.012 352 F CB 1.054 40.022 39.000 -0.055 0.000 1.297 352 F HN 0.395 nan 8.300 nan 0.000 0.489 353 L N 0.855 122.168 121.223 0.151 0.000 2.455 353 L HA 0.437 4.780 4.340 0.004 0.000 0.264 353 L C -1.193 175.748 176.870 0.118 0.000 0.968 353 L CA -0.604 54.258 54.840 0.036 0.000 0.827 353 L CB 2.456 44.507 42.059 -0.013 0.000 1.317 353 L HN 0.737 nan 8.230 nan 0.000 0.407 354 E N 1.949 122.194 120.200 0.075 0.000 2.199 354 E HA 0.536 4.888 4.350 0.004 0.000 0.269 354 E C -0.658 175.942 176.600 -0.001 0.000 0.899 354 E CA -0.867 55.557 56.400 0.040 0.000 0.772 354 E CB 2.341 32.057 29.700 0.026 0.000 1.155 354 E HN 0.608 nan 8.360 nan 0.000 0.408 355 A N 4.600 127.416 122.820 -0.005 0.000 2.805 355 A HA 0.225 4.548 4.320 0.004 0.000 0.301 355 A C -0.050 177.528 177.584 -0.011 0.000 1.557 355 A CA -0.169 51.864 52.037 -0.007 0.000 1.254 355 A CB -0.751 18.247 19.000 -0.004 0.000 1.114 355 A HN 0.553 nan 8.150 nan 0.000 0.553 356 I N 5.129 125.692 120.570 -0.012 0.000 2.312 356 I HA 0.207 4.379 4.170 0.004 0.000 0.291 356 I C -1.503 174.614 176.117 0.000 0.000 1.031 356 I CA -1.633 59.663 61.300 -0.008 0.000 1.293 356 I CB 1.156 39.149 38.000 -0.011 0.000 1.403 356 I HN 0.525 nan 8.210 nan 0.000 0.484 357 P HA 0.080 nan 4.420 nan 0.000 0.271 357 P C -0.599 176.708 177.300 0.011 0.000 1.218 357 P CA -0.435 62.671 63.100 0.010 0.000 0.780 357 P CB 0.749 32.458 31.700 0.015 0.000 0.901 358 M N 1.032 120.637 119.600 0.009 0.000 2.341 358 M HA 0.429 4.911 4.480 0.004 0.000 0.336 358 M C -0.689 175.618 176.300 0.012 0.000 1.489 358 M CA 0.118 55.424 55.300 0.009 0.000 1.278 358 M CB -0.316 32.287 32.600 0.006 0.000 1.657 358 M HN 0.373 nan 8.290 nan 0.000 0.455 359 S N 3.109 118.818 115.700 0.016 0.000 2.606 359 S HA 0.356 4.828 4.470 0.004 0.000 0.290 359 S C -0.575 174.039 174.600 0.022 0.000 1.103 359 S CA -1.097 57.114 58.200 0.019 0.000 0.870 359 S CB 0.678 63.891 63.200 0.022 0.000 1.077 359 S HN 0.641 nan 8.310 nan 0.000 0.448 360 I N 3.789 124.372 120.570 0.021 0.000 2.948 360 I HA 0.124 4.296 4.170 0.004 0.000 0.284 360 I C -1.398 174.737 176.117 0.030 0.000 1.181 360 I CA -0.777 60.535 61.300 0.021 0.000 1.372 360 I CB -0.922 37.088 38.000 0.016 0.000 1.443 360 I HN 0.572 nan 8.210 nan 0.000 0.554 361 P HA 0.295 nan 4.420 nan 0.000 0.278 361 P C -2.614 174.698 177.300 0.020 0.000 1.238 361 P CA -1.483 61.640 63.100 0.039 0.000 0.794 361 P CB 0.380 32.105 31.700 0.043 0.000 0.955 362 P HA 0.167 nan 4.420 nan 0.000 0.276 362 P C -0.229 176.981 177.300 -0.151 0.000 1.253 362 P CA 0.093 63.173 63.100 -0.034 0.000 0.766 362 P CB 0.653 32.383 31.700 0.050 0.000 0.845 363 E N 2.803 122.921 120.200 -0.136 0.000 2.166 363 E HA 0.226 4.578 4.350 0.004 0.000 0.279 363 E C -0.808 175.604 176.600 -0.314 0.000 1.095 363 E CA -0.514 55.799 56.400 -0.144 0.000 0.888 363 E CB 0.353 29.994 29.700 -0.097 0.000 1.041 363 E HN 0.176 nan 8.360 nan 0.000 0.414 364 V N 6.512 126.192 119.914 -0.389 0.000 2.311 364 V HA 0.224 4.346 4.120 0.004 0.000 0.275 364 V C -0.257 175.603 176.094 -0.389 0.000 1.022 364 V CA -0.617 61.313 62.300 -0.618 0.000 0.830 364 V CB 1.038 32.353 31.823 -0.848 0.000 1.012 364 V HN 0.582 nan 8.190 nan 0.000 0.452 365 K N 4.740 124.876 120.400 -0.440 0.000 2.265 365 K HA 0.485 4.808 4.320 0.004 0.000 0.267 365 K C -0.812 175.532 176.600 -0.426 0.000 0.994 365 K CA -0.470 55.611 56.287 -0.342 0.000 0.860 365 K CB 1.467 33.711 32.500 -0.426 0.000 1.099 365 K HN 0.432 nan 8.250 nan 0.000 0.448 366 F N 3.766 123.512 119.950 -0.340 0.000 2.640 366 F HA 0.047 4.576 4.527 0.003 0.000 0.354 366 F C 0.951 176.620 175.800 -0.217 0.000 1.213 366 F CA -0.429 57.340 58.000 -0.384 0.000 1.314 366 F CB -0.237 38.307 39.000 -0.760 0.000 1.679 366 F HN 0.490 nan 8.300 nan 0.000 0.622 367 N N 1.468 119.982 118.700 -0.309 0.000 2.328 367 N HA 0.102 4.844 4.740 0.004 0.000 0.247 367 N C -0.540 174.373 175.510 -0.995 0.000 1.165 367 N CA -0.319 52.403 53.050 -0.547 0.000 0.873 367 N CB 0.144 38.462 38.487 -0.282 0.000 1.125 367 N HN 0.530 nan 8.380 nan 0.000 0.513 368 K N -2.132 117.732 120.400 -0.894 0.000 2.615 368 K HA 0.525 4.848 4.320 0.004 0.000 0.291 368 K C -3.427 173.169 176.600 -0.008 0.000 1.017 368 K CA -1.745 54.215 56.287 -0.545 0.000 0.882 368 K CB 0.655 33.029 32.500 -0.211 0.000 1.522 368 K HN -0.306 nan 8.250 nan 0.000 0.412 369 P HA -0.055 nan 4.420 nan 0.000 0.261 369 P C -1.275 176.247 177.300 0.369 0.000 1.165 369 P CA 0.466 63.742 63.100 0.293 0.000 0.759 369 P CB -0.098 31.730 31.700 0.213 0.000 0.772 370 F N 2.038 122.216 119.950 0.381 0.000 2.601 370 F HA 0.672 5.201 4.527 0.003 0.000 0.309 370 F C -0.765 175.365 175.800 0.549 0.000 1.089 370 F CA -1.665 56.601 58.000 0.443 0.000 0.940 370 F CB 0.699 40.035 39.000 0.559 0.000 1.273 370 F HN 0.204 nan 8.300 nan 0.000 0.450 371 V N 1.136 121.477 119.914 0.712 0.000 3.096 371 V HA 0.940 5.062 4.120 0.004 0.000 0.319 371 V C -0.933 175.726 176.094 0.942 0.000 1.082 371 V CA -0.947 61.707 62.300 0.590 0.000 1.022 371 V CB 1.596 33.561 31.823 0.237 0.000 1.103 371 V HN 1.401 nan 8.190 nan 0.000 0.455 372 F N 0.289 120.529 119.950 0.484 0.000 2.770 372 F HA 0.873 5.404 4.527 0.006 0.000 0.313 372 F C -2.023 173.905 175.800 0.213 0.000 1.154 372 F CA -1.421 56.816 58.000 0.396 0.000 0.923 372 F CB 0.829 40.047 39.000 0.363 0.000 1.301 372 F HN 0.600 nan 8.300 nan 0.000 0.449 373 L N 1.910 123.213 121.223 0.133 0.000 2.424 373 L HA 0.762 5.104 4.340 0.004 0.000 0.258 373 L C -1.107 175.826 176.870 0.104 0.000 0.995 373 L CA -0.734 54.126 54.840 0.034 0.000 0.821 373 L CB 2.165 44.283 42.059 0.099 0.000 1.383 373 L HN 0.724 nan 8.230 nan 0.000 0.410 374 M N 2.685 122.359 119.600 0.123 0.000 2.134 374 M HA 0.575 5.057 4.480 0.004 0.000 0.310 374 M C -1.264 175.075 176.300 0.065 0.000 0.966 374 M CA -0.066 55.315 55.300 0.135 0.000 0.922 374 M CB 1.478 34.178 32.600 0.168 0.000 1.537 374 M HN 0.249 nan 8.290 nan 0.000 0.424 375 I N 2.299 122.904 120.570 0.057 0.000 2.404 375 I HA 0.299 4.471 4.170 0.004 0.000 0.293 375 I C 0.253 176.375 176.117 0.008 0.000 0.992 375 I CA -0.481 60.834 61.300 0.025 0.000 1.149 375 I CB 1.500 39.529 38.000 0.048 0.000 1.315 375 I HN 0.495 nan 8.210 nan 0.000 0.446 376 E N 6.080 126.260 120.200 -0.034 0.000 2.166 376 E HA 0.052 4.405 4.350 0.004 0.000 0.279 376 E C 0.684 177.251 176.600 -0.054 0.000 1.095 376 E CA 0.226 56.598 56.400 -0.047 0.000 0.888 376 E CB 0.697 30.354 29.700 -0.072 0.000 1.041 376 E HN 0.595 nan 8.360 nan 0.000 0.414 377 Q N 3.151 122.942 119.800 -0.016 0.000 2.207 377 Q HA -0.272 4.071 4.340 0.004 0.000 0.215 377 Q C 1.284 177.235 176.000 -0.081 0.000 1.006 377 Q CA 2.031 57.824 55.803 -0.017 0.000 0.903 377 Q CB 0.027 28.779 28.738 0.022 0.000 0.947 377 Q HN 0.552 nan 8.270 nan 0.000 0.414 378 N N -0.683 117.931 118.700 -0.142 0.000 2.148 378 N HA -0.085 4.657 4.740 0.004 0.000 0.186 378 N C 1.987 177.023 175.510 -0.789 0.000 1.031 378 N CA 1.971 54.832 53.050 -0.315 0.000 0.848 378 N CB -0.252 38.122 38.487 -0.188 0.000 1.005 378 N HN 0.408 nan 8.380 nan 0.000 0.427 379 T N -1.551 112.627 114.554 -0.627 0.000 3.067 379 T HA 0.164 4.516 4.350 0.004 0.000 0.257 379 T C 0.634 175.140 174.700 -0.324 0.000 1.105 379 T CA 0.176 61.893 62.100 -0.638 0.000 1.104 379 T CB 0.165 68.822 68.868 -0.351 0.000 0.925 379 T HN 0.145 nan 8.240 nan 0.000 0.498 380 K N 1.039 121.314 120.400 -0.209 0.000 3.160 380 K HA -0.126 4.197 4.320 0.004 0.000 0.280 380 K C -0.519 176.038 176.600 -0.071 0.000 1.154 380 K CA 0.398 56.634 56.287 -0.086 0.000 0.822 380 K CB -2.299 30.186 32.500 -0.026 0.000 1.239 380 K HN 0.462 nan 8.250 nan 0.000 0.489 381 S N 2.238 117.879 115.700 -0.099 0.000 2.505 381 S HA 0.163 4.635 4.470 0.004 0.000 0.276 381 S C -1.807 172.755 174.600 -0.063 0.000 1.274 381 S CA -0.945 57.204 58.200 -0.085 0.000 1.053 381 S CB 0.688 63.845 63.200 -0.071 0.000 0.919 381 S HN 0.079 nan 8.310 nan 0.000 0.490 382 P HA 0.147 nan 4.420 nan 0.000 0.273 382 P C 0.329 177.583 177.300 -0.077 0.000 1.319 382 P CA -0.145 62.912 63.100 -0.071 0.000 0.885 382 P CB 0.356 31.981 31.700 -0.125 0.000 1.015 383 L N 2.724 123.904 121.223 -0.072 0.000 2.056 383 L HA 0.011 4.353 4.340 0.004 0.000 0.207 383 L C 0.714 177.410 176.870 -0.289 0.000 1.078 383 L CA 1.643 56.396 54.840 -0.145 0.000 0.749 383 L CB -0.236 41.769 42.059 -0.089 0.000 0.901 383 L HN 0.233 nan 8.230 nan 0.000 0.433 384 F N -1.593 118.279 119.950 -0.130 0.000 2.591 384 F HA 0.502 5.032 4.527 0.004 0.000 0.309 384 F C -0.193 175.403 175.800 -0.340 0.000 1.098 384 F CA -0.559 57.341 58.000 -0.167 0.000 0.937 384 F CB 1.967 40.956 39.000 -0.018 0.000 1.250 384 F HN -0.292 nan 8.300 nan 0.000 0.447 385 M N 2.227 121.554 119.600 -0.454 0.000 2.446 385 M HA 0.859 5.342 4.480 0.004 0.000 0.294 385 M C -0.898 174.972 176.300 -0.717 0.000 1.158 385 M CA -0.065 54.837 55.300 -0.663 0.000 0.899 385 M CB 2.457 34.627 32.600 -0.717 0.000 1.687 385 M HN 0.755 nan 8.290 nan 0.000 0.455 386 G N 2.427 110.780 108.800 -0.745 0.000 2.441 386 G HA2 0.445 4.407 3.960 0.004 0.000 0.294 386 G HA3 0.445 4.407 3.960 0.004 0.000 0.294 386 G C -2.515 172.317 174.900 -0.114 0.000 1.393 386 G CA -0.796 44.101 45.100 -0.337 0.000 0.796 386 G HN 0.790 nan 8.290 nan 0.000 0.494 387 K N -0.262 120.304 120.400 0.276 0.000 2.513 387 K HA 0.619 4.942 4.320 0.004 0.000 0.251 387 K C -1.547 175.180 176.600 0.212 0.000 0.939 387 K CA -0.662 55.815 56.287 0.315 0.000 0.793 387 K CB 2.539 35.235 32.500 0.327 0.000 1.241 387 K HN 0.369 nan 8.250 nan 0.000 0.431 388 V N 5.684 125.566 119.914 -0.053 0.000 2.333 388 V HA 0.109 4.231 4.120 0.004 0.000 0.274 388 V C 1.081 177.144 176.094 -0.052 0.000 1.028 388 V CA -0.470 61.726 62.300 -0.174 0.000 0.851 388 V CB 0.960 32.464 31.823 -0.531 0.000 1.000 388 V HN 0.760 nan 8.190 nan 0.000 0.456 389 V N 1.669 121.611 119.914 0.048 0.000 2.575 389 V HA 0.352 4.475 4.120 0.004 0.000 0.242 389 V C 0.708 176.885 176.094 0.139 0.000 1.045 389 V CA 0.785 63.167 62.300 0.137 0.000 1.065 389 V CB -0.072 31.811 31.823 0.101 0.000 0.717 389 V HN 0.722 nan 8.190 nan 0.000 0.467 390 N N 0.046 118.709 118.700 -0.062 0.000 2.572 390 N HA 0.384 5.126 4.740 0.004 0.000 0.287 390 N C -2.689 172.640 175.510 -0.302 0.000 1.136 390 N CA -1.387 51.508 53.050 -0.258 0.000 0.900 390 N CB 2.140 40.572 38.487 -0.092 0.000 1.484 390 N HN -0.115 nan 8.380 nan 0.000 0.526 391 P HA -0.074 nan 4.420 nan 0.000 0.218 391 P C 0.930 178.128 177.300 -0.169 0.000 1.146 391 P CA 1.373 64.296 63.100 -0.294 0.000 0.813 391 P CB 0.414 31.901 31.700 -0.356 0.000 0.778 392 T N -1.259 113.192 114.554 -0.171 0.000 2.759 392 T HA -0.187 4.166 4.350 0.004 0.000 0.269 392 T C 1.001 175.666 174.700 -0.058 0.000 1.042 392 T CA 0.886 62.930 62.100 -0.093 0.000 1.140 392 T CB -0.503 68.319 68.868 -0.077 0.000 0.864 392 T HN 0.283 nan 8.240 nan 0.000 0.455 393 Q N 1.304 121.070 119.800 -0.056 0.000 2.327 393 Q HA 0.315 4.657 4.340 0.004 0.000 0.254 393 Q C -0.319 175.674 176.000 -0.012 0.000 0.952 393 Q CA -0.020 55.768 55.803 -0.025 0.000 0.884 393 Q CB 0.641 29.370 28.738 -0.014 0.000 1.224 393 Q HN 0.232 nan 8.270 nan 0.000 0.422 394 K N 0.000 120.401 120.400 0.001 0.000 2.780 394 K HA 0.000 4.322 4.320 0.004 0.000 0.191 394 K CA 0.000 56.297 56.287 0.017 0.000 0.838 394 K CB 0.000 32.509 32.500 0.015 0.000 1.064 394 K HN 0.000 nan 8.250 nan 0.000 0.543