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 3hx4_1_A DATA FIRST_RESID 30 DATA SEQUENCE DHLHATPGMF VQHSTAIFSD RYKGQRVLGK GSFGEVILCK DKITGQECAV DATA SEQUENCE KVISKXXXXX XXDKESLLRE VQLLKQLDHP NIMKLYEFFE DKGYFYLVGE DATA SEQUENCE VYTGGELFDE IISRKRFSEV DAARIIRQVL SGITYMHKNK IVHRDLKPEN DATA SEQUENCE LLLESKSKDA NIRIIDFGLS THFEASKKMK DKIGTAYYIA PEVLHGTYDE DATA SEQUENCE KCDVWSTGVI LYILLSGCPP FNGANEYDIL KKVEKGKYTF ELPQWKKVSE DATA SEQUENCE SAKDLIRKML TYVPSMRISA RDALDHEWIQ TYTKEQISVD VPSLDNAILN DATA SEQUENCE IRQFQGTQKL AQAALLYMGS KLTSQDETKE LTAIFHKMDK NGDGQLDRAE DATA SEQUENCE LIEGYKELMR MKGQDASMLD ASAVEHEVDQ VLDAVDFDKN GYIEYSEFVT DATA SEQUENCE VAMDRKTLLS RERLERAFRM FDSDNSGKIS STELATIFGV SDVDSETWKS DATA SEQUENCE VLSEVDKNND GEVDFDEFQQ MLLK 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 30 D HA 0.000 nan 4.640 nan 0.000 0.175 30 D C 0.000 176.097 176.300 -0.339 0.000 2.045 30 D CA 0.000 53.819 54.000 -0.301 0.000 0.868 30 D CB 0.000 40.631 40.800 -0.282 0.000 0.688 31 H N 1.157 120.111 119.070 -0.193 0.000 2.897 31 H HA 0.198 4.754 4.556 0.001 0.000 0.347 31 H C 0.771 175.830 175.328 -0.449 0.000 1.068 31 H CA 0.528 56.352 56.048 -0.373 0.000 1.426 31 H CB 0.944 30.347 29.762 -0.599 0.000 1.410 31 H HN 0.031 nan 8.280 nan 0.000 0.597 32 L N 4.836 125.872 121.223 -0.311 0.000 2.397 32 L HA 0.193 4.534 4.340 0.001 0.000 0.263 32 L C 0.054 176.962 176.870 0.062 0.000 1.136 32 L CA -0.044 54.584 54.840 -0.352 0.000 1.019 32 L CB -0.536 41.017 42.059 -0.843 0.000 1.352 32 L HN 0.464 nan 8.230 nan 0.000 0.420 33 H N 1.673 120.944 119.070 0.335 0.000 2.597 33 H HA 0.500 5.056 4.556 0.001 0.000 0.303 33 H C 0.204 175.785 175.328 0.422 0.000 1.057 33 H CA -0.732 55.529 56.048 0.355 0.000 1.261 33 H CB 1.391 31.289 29.762 0.226 0.000 1.397 33 H HN 0.647 nan 8.280 nan 0.000 0.461 34 A N 3.452 126.637 122.820 0.609 0.000 2.363 34 A HA 0.427 4.747 4.320 0.001 0.000 0.270 34 A C 0.394 178.078 177.584 0.166 0.000 1.121 34 A CA -0.377 51.822 52.037 0.271 0.000 0.800 34 A CB 0.131 19.342 19.000 0.353 0.000 1.052 34 A HN 0.756 nan 8.150 nan 0.000 0.493 35 T N 0.135 114.657 114.554 -0.052 0.000 2.906 35 T HA 0.615 4.965 4.350 0.001 0.000 0.295 35 T C -2.518 172.122 174.700 -0.101 0.000 1.061 35 T CA -1.686 60.401 62.100 -0.022 0.000 1.000 35 T CB 1.810 70.684 68.868 0.009 0.000 1.103 35 T HN 0.189 nan 8.240 nan 0.000 0.486 36 P HA 0.026 nan 4.420 nan 0.000 0.218 36 P C 1.864 179.252 177.300 0.146 0.000 1.148 36 P CA 1.238 64.473 63.100 0.225 0.000 0.822 36 P CB -0.346 31.463 31.700 0.181 0.000 0.784 37 G N 0.861 109.678 108.800 0.029 0.000 2.450 37 G HA2 -0.292 3.669 3.960 0.001 0.000 0.220 37 G HA3 -0.292 3.669 3.960 0.001 0.000 0.220 37 G C 1.373 176.218 174.900 -0.092 0.000 1.130 37 G CA 1.146 46.245 45.100 -0.001 0.000 0.760 37 G HN 0.364 nan 8.290 nan 0.000 0.557 38 M N -1.271 118.149 119.600 -0.300 0.000 2.460 38 M HA 0.231 4.712 4.480 0.001 0.000 0.263 38 M C 1.772 177.800 176.300 -0.453 0.000 1.071 38 M CA 1.216 56.259 55.300 -0.429 0.000 1.096 38 M CB -0.470 31.770 32.600 -0.600 0.000 1.408 38 M HN 0.140 nan 8.290 nan 0.000 0.463 39 F N 0.227 120.136 119.950 -0.068 0.000 2.615 39 F HA 0.061 4.588 4.527 0.000 0.000 0.297 39 F C 2.194 178.022 175.800 0.046 0.000 1.124 39 F CA -0.033 57.935 58.000 -0.053 0.000 1.451 39 F CB -0.308 38.743 39.000 0.086 0.000 1.103 39 F HN -0.065 nan 8.300 nan 0.000 0.569 40 V N -0.045 119.990 119.914 0.201 0.000 2.343 40 V HA -0.280 3.841 4.120 0.001 0.000 0.247 40 V C 1.589 177.758 176.094 0.125 0.000 1.051 40 V CA 1.872 64.282 62.300 0.183 0.000 1.036 40 V CB -0.515 31.392 31.823 0.139 0.000 0.654 40 V HN 0.389 nan 8.190 nan 0.000 0.451 41 Q N -1.777 118.083 119.800 0.100 0.000 2.188 41 Q HA 0.101 4.442 4.340 0.001 0.000 0.212 41 Q C 1.523 177.540 176.000 0.029 0.000 0.846 41 Q CA -0.082 55.767 55.803 0.077 0.000 0.989 41 Q CB 0.244 29.059 28.738 0.128 0.000 1.114 41 Q HN 0.730 nan 8.270 nan 0.000 0.488 42 H N 0.374 119.404 119.070 -0.067 0.000 2.436 42 H HA 0.106 4.663 4.556 0.001 0.000 0.294 42 H C 0.725 175.982 175.328 -0.119 0.000 1.048 42 H CA 0.624 56.611 56.048 -0.101 0.000 1.353 42 H CB 0.382 30.066 29.762 -0.131 0.000 1.414 42 H HN 0.052 nan 8.280 nan 0.000 0.536 43 S N -0.107 115.474 115.700 -0.198 0.000 2.544 43 S HA -0.049 4.422 4.470 0.001 0.000 0.290 43 S C 1.000 175.493 174.600 -0.178 0.000 1.276 43 S CA 0.313 58.392 58.200 -0.201 0.000 1.075 43 S CB 0.486 63.624 63.200 -0.104 0.000 0.849 43 S HN 0.532 nan 8.310 nan 0.000 0.494 44 T N 4.616 119.064 114.554 -0.176 0.000 3.113 44 T HA 0.255 4.605 4.350 0.001 0.000 0.256 44 T C 0.862 175.559 174.700 -0.005 0.000 1.131 44 T CA 0.531 62.570 62.100 -0.102 0.000 1.074 44 T CB -0.152 68.639 68.868 -0.128 0.000 0.944 44 T HN 0.766 nan 8.240 nan 0.000 0.516 45 A N 1.222 124.072 122.820 0.051 0.000 2.287 45 A HA 0.684 5.005 4.320 0.001 0.000 0.273 45 A C 0.137 177.851 177.584 0.217 0.000 1.091 45 A CA -0.702 51.393 52.037 0.097 0.000 0.817 45 A CB 0.192 19.233 19.000 0.068 0.000 1.069 45 A HN 0.490 nan 8.150 nan 0.000 0.492 46 I N 0.262 120.879 120.570 0.077 0.000 2.612 46 I HA 0.268 4.438 4.170 0.001 0.000 0.295 46 I C 1.024 176.969 176.117 -0.287 0.000 1.011 46 I CA -0.481 60.819 61.300 -0.001 0.000 1.326 46 I CB 0.985 38.968 38.000 -0.027 0.000 1.427 46 I HN 0.836 nan 8.210 nan 0.000 0.537 47 F N 3.986 123.440 119.950 -0.827 0.000 2.069 47 F HA -0.267 4.261 4.527 0.001 0.000 0.298 47 F C 2.513 177.934 175.800 -0.632 0.000 1.113 47 F CA 2.276 59.469 58.000 -1.343 0.000 1.214 47 F CB -0.281 37.625 39.000 -1.823 0.000 0.978 47 F HN 0.606 nan 8.300 nan 0.000 0.474 48 S N -0.976 114.520 115.700 -0.341 0.000 2.469 48 S HA -0.169 4.302 4.470 0.001 0.000 0.238 48 S C 1.400 175.834 174.600 -0.278 0.000 0.998 48 S CA 1.241 59.288 58.200 -0.254 0.000 0.957 48 S CB -0.568 62.596 63.200 -0.060 0.000 0.764 48 S HN 0.457 nan 8.310 nan 0.000 0.514 49 D N 0.797 121.031 120.400 -0.277 0.000 2.349 49 D HA 0.156 4.796 4.640 0.001 0.000 0.215 49 D C 1.805 177.928 176.300 -0.294 0.000 1.016 49 D CA 0.285 54.152 54.000 -0.223 0.000 0.870 49 D CB 0.135 40.849 40.800 -0.143 0.000 0.917 49 D HN 0.271 nan 8.370 nan 0.000 0.524 50 R N -0.844 119.383 120.500 -0.455 0.000 2.316 50 R HA 0.155 4.496 4.340 0.001 0.000 0.201 50 R C -0.220 175.513 176.300 -0.944 0.000 0.888 50 R CA 0.125 55.847 56.100 -0.629 0.000 1.041 50 R CB 0.679 30.628 30.300 -0.586 0.000 1.115 50 R HN 0.175 nan 8.270 nan 0.000 0.559 51 Y N 0.013 119.923 120.300 -0.650 0.000 2.477 51 Y HA 0.417 4.968 4.550 0.001 0.000 0.347 51 Y C -0.211 175.428 175.900 -0.435 0.000 0.981 51 Y CA -1.139 56.596 58.100 -0.608 0.000 1.033 51 Y CB 2.076 39.947 38.460 -0.982 0.000 1.245 51 Y HN -0.373 nan 8.280 nan 0.000 0.455 52 K N 1.308 121.663 120.400 -0.076 0.000 2.307 52 K HA 0.612 4.933 4.320 0.001 0.000 0.263 52 K C -0.114 176.511 176.600 0.042 0.000 0.973 52 K CA -0.376 55.893 56.287 -0.029 0.000 0.846 52 K CB 1.184 33.662 32.500 -0.036 0.000 1.100 52 K HN 0.834 nan 8.250 nan 0.000 0.438 53 G N 2.928 111.771 108.800 0.070 0.000 2.403 53 G HA2 0.128 4.089 3.960 0.001 0.000 0.259 53 G HA3 0.128 4.089 3.960 0.001 0.000 0.259 53 G C -0.298 174.632 174.900 0.050 0.000 1.244 53 G CA -0.168 44.983 45.100 0.086 0.000 0.849 53 G HN 0.772 nan 8.290 nan 0.000 0.532 54 Q N 1.061 120.888 119.800 0.044 0.000 2.558 54 Q HA 0.262 4.602 4.340 0.001 0.000 0.186 54 Q C 0.819 176.836 176.000 0.028 0.000 0.894 54 Q CA -0.036 55.788 55.803 0.034 0.000 0.830 54 Q CB 0.674 29.433 28.738 0.035 0.000 1.107 54 Q HN 0.477 nan 8.270 nan 0.000 0.620 55 R N 0.618 121.130 120.500 0.021 0.000 2.939 55 R HA 0.450 4.790 4.340 0.001 0.000 0.254 55 R C -0.599 175.681 176.300 -0.033 0.000 1.123 55 R CA -0.660 55.448 56.100 0.014 0.000 1.020 55 R CB 1.713 32.032 30.300 0.032 0.000 1.206 55 R HN 0.146 nan 8.270 nan 0.000 0.491 56 V N -0.058 119.811 119.914 -0.075 0.000 2.924 56 V HA 0.374 4.494 4.120 0.001 0.000 0.305 56 V C -0.282 175.781 176.094 -0.052 0.000 1.073 56 V CA -0.574 61.633 62.300 -0.154 0.000 1.098 56 V CB 0.717 32.333 31.823 -0.344 0.000 1.000 56 V HN 0.490 nan 8.190 nan 0.000 0.484 57 L N 4.211 125.404 121.223 -0.050 0.000 2.385 57 L HA 0.967 5.307 4.340 0.001 0.000 0.273 57 L C 0.251 177.125 176.870 0.008 0.000 0.990 57 L CA 1.240 56.077 54.840 -0.005 0.000 0.821 57 L CB 1.088 43.147 42.059 -0.001 0.000 1.279 57 L HN 1.694 nan 8.230 nan 0.000 0.412 58 G N 2.431 111.252 108.800 0.035 0.000 2.698 58 G HA2 0.127 4.087 3.960 0.001 0.000 0.225 58 G HA3 0.127 4.087 3.960 0.001 0.000 0.225 58 G C -0.137 174.798 174.900 0.058 0.000 1.345 58 G CA 0.110 45.240 45.100 0.049 0.000 0.871 58 G HN 1.118 nan 8.290 nan 0.000 0.540 59 K N -0.281 120.158 120.400 0.064 0.000 2.440 59 K HA 0.727 5.048 4.320 0.001 0.000 0.206 59 K C 1.321 177.962 176.600 0.068 0.000 1.025 59 K CA 1.484 57.816 56.287 0.075 0.000 1.135 59 K CB 0.592 33.142 32.500 0.084 0.000 0.856 59 K HN 2.051 nan 8.250 nan 0.000 0.502 60 G N -0.335 108.498 108.800 0.054 0.000 2.531 60 G HA2 0.357 4.317 3.960 0.001 0.000 0.281 60 G HA3 0.357 4.317 3.960 0.001 0.000 0.281 60 G C 0.153 175.094 174.900 0.068 0.000 1.382 60 G CA 0.091 45.219 45.100 0.047 0.000 1.045 60 G HN 0.366 nan 8.290 nan 0.000 0.533 61 S N -0.969 114.768 115.700 0.061 0.000 2.575 61 S HA 0.013 4.484 4.470 0.001 0.000 0.295 61 S C 0.121 174.787 174.600 0.109 0.000 1.267 61 S CA -0.571 57.681 58.200 0.088 0.000 1.074 61 S CB -0.531 62.706 63.200 0.062 0.000 0.829 61 S HN 0.404 nan 8.310 nan 0.000 0.497 62 F N 5.367 125.327 119.950 0.018 0.000 2.602 62 F HA 0.407 4.934 4.527 0.001 0.000 0.385 62 F C 1.492 177.300 175.800 0.014 0.000 1.063 62 F CA 1.247 59.258 58.000 0.017 0.000 1.233 62 F CB -0.056 38.955 39.000 0.017 0.000 1.067 62 F HN 0.880 nan 8.300 nan 0.000 0.564 63 G N 3.924 112.306 108.800 -0.696 0.000 2.195 63 G HA2 -0.313 3.647 3.960 0.001 0.000 0.246 63 G HA3 -0.313 3.647 3.960 0.001 0.000 0.246 63 G C 0.985 175.745 174.900 -0.232 0.000 0.984 63 G CA 0.398 45.182 45.100 -0.526 0.000 0.633 63 G HN 0.650 nan 8.290 nan 0.000 0.525 64 E N -0.585 119.529 120.200 -0.143 0.000 2.152 64 E HA 0.179 4.529 4.350 0.001 0.000 0.192 64 E C 0.665 177.216 176.600 -0.081 0.000 0.983 64 E CA 1.163 57.517 56.400 -0.077 0.000 0.818 64 E CB 0.323 30.008 29.700 -0.026 0.000 0.758 64 E HN 0.401 nan 8.360 nan 0.000 0.467 65 V N 1.874 121.732 119.914 -0.093 0.000 2.495 65 V HA 0.385 4.506 4.120 0.001 0.000 0.298 65 V C -0.397 175.641 176.094 -0.094 0.000 1.031 65 V CA -0.552 61.707 62.300 -0.068 0.000 0.871 65 V CB 1.762 33.567 31.823 -0.030 0.000 0.988 65 V HN 0.045 nan 8.190 nan 0.000 0.432 66 I N 4.558 125.089 120.570 -0.065 0.000 2.533 66 I HA 0.399 4.569 4.170 0.001 0.000 0.290 66 I C -0.770 175.345 176.117 -0.004 0.000 1.056 66 I CA -0.796 60.471 61.300 -0.055 0.000 1.057 66 I CB 2.215 40.179 38.000 -0.061 0.000 1.240 66 I HN 0.468 nan 8.210 nan 0.000 0.423 67 L N 6.634 127.858 121.223 0.002 0.000 2.360 67 L HA 0.415 4.756 4.340 0.001 0.000 0.276 67 L C -0.824 176.078 176.870 0.052 0.000 1.121 67 L CA 0.608 55.463 54.840 0.026 0.000 0.845 67 L CB 0.269 42.342 42.059 0.023 0.000 1.143 67 L HN 0.670 nan 8.230 nan 0.000 0.452 68 C N 4.376 123.723 119.300 0.078 0.000 2.802 68 C HA 0.523 4.984 4.460 0.001 0.000 0.307 68 C C -0.331 174.738 174.990 0.132 0.000 1.222 68 C CA -1.174 57.912 59.018 0.113 0.000 1.580 68 C CB 1.927 29.759 27.740 0.154 0.000 2.119 68 C HN 0.817 nan 8.230 nan 0.000 0.479 69 K N 1.714 122.182 120.400 0.115 0.000 2.206 69 K HA 0.193 4.513 4.320 0.001 0.000 0.264 69 K C -0.533 176.112 176.600 0.074 0.000 0.967 69 K CA -0.168 56.169 56.287 0.084 0.000 0.844 69 K CB 0.890 33.405 32.500 0.026 0.000 1.099 69 K HN 0.850 nan 8.250 nan 0.000 0.441 70 D N 4.067 124.489 120.400 0.037 0.000 2.434 70 D HA -0.022 4.619 4.640 0.001 0.000 0.252 70 D C 0.556 176.731 176.300 -0.208 0.000 1.185 70 D CA 0.498 54.373 54.000 -0.210 0.000 0.886 70 D CB 0.976 41.672 40.800 -0.174 0.000 1.148 70 D HN 0.536 nan 8.370 nan 0.000 0.483 71 K N 3.173 123.394 120.400 -0.298 0.000 2.147 71 K HA -0.110 4.211 4.320 0.001 0.000 0.205 71 K C 1.786 178.296 176.600 -0.151 0.000 1.049 71 K CA 0.937 57.104 56.287 -0.200 0.000 0.936 71 K CB 0.333 32.699 32.500 -0.223 0.000 0.722 71 K HN 0.554 nan 8.250 nan 0.000 0.446 72 I N 0.192 120.662 120.570 -0.167 0.000 2.429 72 I HA -0.167 4.003 4.170 0.001 0.000 0.247 72 I C 2.479 178.549 176.117 -0.078 0.000 1.099 72 I CA 1.176 62.410 61.300 -0.109 0.000 1.422 72 I CB -0.148 37.790 38.000 -0.103 0.000 1.112 72 I HN 0.192 nan 8.210 nan 0.000 0.430 73 T N -2.411 112.089 114.554 -0.091 0.000 3.051 73 T HA 0.239 4.590 4.350 0.001 0.000 0.255 73 T C 1.683 176.353 174.700 -0.051 0.000 1.085 73 T CA 0.679 62.740 62.100 -0.065 0.000 1.109 73 T CB 0.518 69.338 68.868 -0.081 0.000 0.921 73 T HN 0.498 nan 8.240 nan 0.000 0.488 74 G N 0.969 109.736 108.800 -0.055 0.000 2.225 74 G HA2 -0.300 3.660 3.960 0.001 0.000 0.254 74 G HA3 -0.300 3.660 3.960 0.001 0.000 0.254 74 G C -0.010 174.883 174.900 -0.012 0.000 0.988 74 G CA 0.219 45.301 45.100 -0.030 0.000 0.625 74 G HN 0.870 nan 8.290 nan 0.000 0.527 75 Q N 1.293 121.080 119.800 -0.022 0.000 2.263 75 Q HA 0.319 4.659 4.340 0.001 0.000 0.289 75 Q C 0.186 176.217 176.000 0.053 0.000 1.061 75 Q CA 0.315 56.118 55.803 -0.000 0.000 0.927 75 Q CB 0.185 28.891 28.738 -0.053 0.000 1.154 75 Q HN 0.603 nan 8.270 nan 0.000 0.378 76 E N 2.366 122.607 120.200 0.067 0.000 2.331 76 E HA 0.264 4.614 4.350 0.001 0.000 0.272 76 E C -0.966 175.712 176.600 0.130 0.000 1.036 76 E CA -0.437 56.017 56.400 0.089 0.000 0.864 76 E CB 1.010 30.747 29.700 0.061 0.000 1.035 76 E HN 0.597 nan 8.360 nan 0.000 0.408 77 C N 1.443 120.824 119.300 0.136 0.000 3.171 77 C HA 0.723 5.183 4.460 0.001 0.000 0.308 77 C C -0.449 174.570 174.990 0.049 0.000 1.334 77 C CA -0.820 58.287 59.018 0.148 0.000 1.473 77 C CB 1.470 29.354 27.740 0.240 0.000 1.866 77 C HN 0.798 nan 8.230 nan 0.000 0.465 78 A N 1.089 123.904 122.820 -0.009 0.000 2.260 78 A HA 0.722 5.042 4.320 0.001 0.000 0.314 78 A C -0.868 176.715 177.584 -0.002 0.000 1.257 78 A CA -0.197 51.824 52.037 -0.026 0.000 0.871 78 A CB 0.370 19.322 19.000 -0.079 0.000 1.166 78 A HN 0.774 nan 8.150 nan 0.000 0.522 79 V N 3.428 123.351 119.914 0.015 0.000 2.357 79 V HA 0.322 4.443 4.120 0.001 0.000 0.284 79 V C 0.151 176.244 176.094 -0.001 0.000 1.018 79 V CA -0.663 61.655 62.300 0.031 0.000 0.841 79 V CB 1.342 33.209 31.823 0.073 0.000 0.991 79 V HN 0.941 nan 8.190 nan 0.000 0.437 80 K N 4.940 125.353 120.400 0.022 0.000 2.276 80 K HA 0.557 4.877 4.320 0.001 0.000 0.285 80 K C -1.102 175.482 176.600 -0.027 0.000 1.062 80 K CA -0.243 56.049 56.287 0.007 0.000 0.918 80 K CB 1.312 33.839 32.500 0.044 0.000 1.055 80 K HN 0.435 nan 8.250 nan 0.000 0.477 81 V N 6.835 126.694 119.914 -0.092 0.000 2.347 81 V HA 0.409 4.529 4.120 0.001 0.000 0.280 81 V C -0.240 175.804 176.094 -0.084 0.000 1.021 81 V CA -0.705 61.473 62.300 -0.204 0.000 0.847 81 V CB 0.849 32.490 31.823 -0.303 0.000 0.990 81 V HN 0.721 nan 8.190 nan 0.000 0.444 82 I N 4.252 124.806 120.570 -0.026 0.000 2.406 82 I HA 0.412 4.582 4.170 0.001 0.000 0.290 82 I C 0.498 176.670 176.117 0.092 0.000 0.999 82 I CA -0.282 61.077 61.300 0.099 0.000 1.124 82 I CB 2.190 40.325 38.000 0.225 0.000 1.289 82 I HN 0.673 nan 8.210 nan 0.000 0.441 83 S N 6.150 121.889 115.700 0.066 0.000 2.565 83 S HA 0.486 4.957 4.470 0.001 0.000 0.274 83 S C -0.292 174.236 174.600 -0.119 0.000 1.309 83 S CA -0.807 57.312 58.200 -0.135 0.000 1.043 83 S CB 1.183 64.307 63.200 -0.127 0.000 0.939 83 S HN 0.683 nan 8.310 nan 0.000 0.504 93 K N 0.783 121.202 120.400 0.030 0.000 2.021 93 K HA 0.186 4.506 4.320 0.001 0.000 0.205 93 K C 1.991 178.559 176.600 -0.053 0.000 1.047 93 K CA 1.992 58.300 56.287 0.035 0.000 0.943 93 K CB -0.810 31.785 32.500 0.159 0.000 0.725 93 K HN 0.579 nan 8.250 nan 0.000 0.439 94 E N 0.426 120.613 120.200 -0.022 0.000 2.072 94 E HA -0.118 4.233 4.350 0.001 0.000 0.191 94 E C 2.203 178.761 176.600 -0.070 0.000 0.985 94 E CA 1.362 57.742 56.400 -0.033 0.000 0.801 94 E CB 0.015 29.708 29.700 -0.012 0.000 0.750 94 E HN 0.519 nan 8.360 nan 0.000 0.452 95 S N 0.639 116.296 115.700 -0.073 0.000 2.428 95 S HA -0.103 4.367 4.470 0.001 0.000 0.230 95 S C 1.719 176.244 174.600 -0.125 0.000 1.014 95 S CA 0.440 58.593 58.200 -0.078 0.000 0.957 95 S CB -0.112 63.055 63.200 -0.055 0.000 0.784 95 S HN 0.235 nan 8.310 nan 0.000 0.499 96 L N 1.126 122.236 121.223 -0.188 0.000 2.156 96 L HA 0.122 4.462 4.340 0.001 0.000 0.208 96 L C 1.685 178.335 176.870 -0.368 0.000 1.095 96 L CA 1.378 56.052 54.840 -0.277 0.000 0.770 96 L CB -0.514 41.305 42.059 -0.399 0.000 0.914 96 L HN 0.161 nan 8.230 nan 0.000 0.439 97 L N -0.710 120.322 121.223 -0.318 0.000 2.156 97 L HA -0.072 4.268 4.340 0.001 0.000 0.208 97 L C 2.673 179.415 176.870 -0.214 0.000 1.095 97 L CA 1.327 55.981 54.840 -0.310 0.000 0.770 97 L CB -0.771 41.188 42.059 -0.166 0.000 0.914 97 L HN 0.195 nan 8.230 nan 0.000 0.439 98 R N -0.471 119.943 120.500 -0.143 0.000 2.073 98 R HA -0.202 4.138 4.340 0.001 0.000 0.234 98 R C 2.199 178.440 176.300 -0.099 0.000 1.134 98 R CA 1.628 57.677 56.100 -0.086 0.000 0.952 98 R CB -0.281 29.989 30.300 -0.050 0.000 0.850 98 R HN 0.453 nan 8.270 nan 0.000 0.433 99 E N 0.246 120.374 120.200 -0.120 0.000 2.070 99 E HA -0.186 4.164 4.350 0.001 0.000 0.197 99 E C 1.911 178.418 176.600 -0.155 0.000 1.004 99 E CA 1.545 57.885 56.400 -0.100 0.000 0.805 99 E CB 0.119 29.764 29.700 -0.091 0.000 0.744 99 E HN 0.084 nan 8.360 nan 0.000 0.451 100 V N 1.202 120.964 119.914 -0.254 0.000 2.358 100 V HA -0.239 3.882 4.120 0.001 0.000 0.246 100 V C 2.401 178.384 176.094 -0.186 0.000 1.047 100 V CA 1.638 63.764 62.300 -0.290 0.000 1.035 100 V CB -0.444 31.032 31.823 -0.579 0.000 0.658 100 V HN 0.308 nan 8.190 nan 0.000 0.452 101 Q N -0.379 119.330 119.800 -0.151 0.000 2.170 101 Q HA -0.076 4.264 4.340 0.001 0.000 0.203 101 Q C 2.183 178.156 176.000 -0.044 0.000 0.976 101 Q CA 1.429 57.188 55.803 -0.074 0.000 0.858 101 Q CB -0.425 28.291 28.738 -0.037 0.000 0.907 101 Q HN 0.550 nan 8.270 nan 0.000 0.433 102 L N -0.344 120.831 121.223 -0.079 0.000 2.023 102 L HA -0.117 4.223 4.340 0.001 0.000 0.205 102 L C 2.355 179.120 176.870 -0.174 0.000 1.073 102 L CA 0.701 55.472 54.840 -0.115 0.000 0.745 102 L CB -0.486 41.501 42.059 -0.120 0.000 0.900 102 L HN 0.156 nan 8.230 nan 0.000 0.435 103 L N -0.221 120.855 121.223 -0.245 0.000 2.127 103 L HA -0.242 4.098 4.340 0.001 0.000 0.211 103 L C 2.572 179.357 176.870 -0.142 0.000 1.089 103 L CA 1.343 56.001 54.840 -0.305 0.000 0.757 103 L CB -0.428 41.460 42.059 -0.285 0.000 0.899 103 L HN 0.228 nan 8.230 nan 0.000 0.434 104 K N -0.295 120.054 120.400 -0.085 0.000 2.147 104 K HA -0.205 4.115 4.320 0.001 0.000 0.205 104 K C 2.024 178.628 176.600 0.007 0.000 1.049 104 K CA 1.239 57.511 56.287 -0.025 0.000 0.936 104 K CB -0.050 32.435 32.500 -0.025 0.000 0.722 104 K HN 0.408 nan 8.250 nan 0.000 0.446 105 Q N 0.003 119.807 119.800 0.006 0.000 2.435 105 Q HA 0.064 4.405 4.340 0.001 0.000 0.207 105 Q C -0.212 175.850 176.000 0.102 0.000 0.956 105 Q CA 0.321 56.156 55.803 0.054 0.000 0.917 105 Q CB 0.268 29.044 28.738 0.063 0.000 0.997 105 Q HN 0.216 nan 8.270 nan 0.000 0.497 106 L N 0.967 122.241 121.223 0.085 0.000 2.296 106 L HA 0.371 4.712 4.340 0.001 0.000 0.286 106 L C -0.848 176.134 176.870 0.188 0.000 1.023 106 L CA -0.718 54.258 54.840 0.227 0.000 0.812 106 L CB 1.419 43.548 42.059 0.117 0.000 1.223 106 L HN -0.140 nan 8.230 nan 0.000 0.421 107 D N 2.456 123.001 120.400 0.240 0.000 2.389 107 D HA 0.284 4.924 4.640 0.001 0.000 0.256 107 D C -1.156 175.050 176.300 -0.157 0.000 1.239 107 D CA -0.141 53.901 54.000 0.070 0.000 0.925 107 D CB 0.629 41.497 40.800 0.114 0.000 1.145 107 D HN 0.411 nan 8.370 nan 0.000 0.542 108 H N 3.208 122.107 119.070 -0.284 0.000 2.974 108 H HA 0.295 4.851 4.556 0.001 0.000 0.366 108 H C -2.309 172.847 175.328 -0.287 0.000 1.155 108 H CA -1.671 54.128 56.048 -0.415 0.000 1.186 108 H CB 2.544 31.972 29.762 -0.556 0.000 1.799 108 H HN 0.108 nan 8.280 nan 0.000 0.541 109 P HA -0.017 nan 4.420 nan 0.000 0.225 109 P C -0.009 177.210 177.300 -0.136 0.000 1.148 109 P CA 1.224 64.026 63.100 -0.496 0.000 0.779 109 P CB 0.280 31.703 31.700 -0.462 0.000 0.780 110 N N -1.428 117.419 118.700 0.245 0.000 2.204 110 N HA 0.208 4.948 4.740 0.001 0.000 0.219 110 N C -0.116 175.446 175.510 0.087 0.000 1.151 110 N CA -0.114 53.023 53.050 0.146 0.000 0.867 110 N CB 0.325 38.912 38.487 0.166 0.000 1.043 110 N HN 0.115 nan 8.380 nan 0.000 0.516 111 I N 1.660 122.298 120.570 0.114 0.000 2.474 111 I HA 0.290 4.461 4.170 0.001 0.000 0.294 111 I C 0.307 176.464 176.117 0.068 0.000 1.005 111 I CA -1.271 60.097 61.300 0.113 0.000 1.113 111 I CB 1.586 39.671 38.000 0.141 0.000 1.289 111 I HN 0.040 nan 8.210 nan 0.000 0.436 112 M N 4.157 123.831 119.600 0.124 0.000 2.248 112 M HA 0.126 4.606 4.480 0.001 0.000 0.343 112 M C -0.273 176.093 176.300 0.109 0.000 1.243 112 M CA 0.581 56.007 55.300 0.210 0.000 1.025 112 M CB 0.176 32.944 32.600 0.279 0.000 1.759 112 M HN 0.473 nan 8.290 nan 0.000 0.452 113 K N 3.447 123.921 120.400 0.124 0.000 2.227 113 K HA 0.437 4.757 4.320 0.001 0.000 0.280 113 K C -1.675 174.808 176.600 -0.196 0.000 1.041 113 K CA -0.764 55.495 56.287 -0.047 0.000 0.905 113 K CB 1.057 33.518 32.500 -0.065 0.000 1.068 113 K HN 0.785 nan 8.250 nan 0.000 0.470 114 L N 5.770 126.926 121.223 -0.112 0.000 2.272 114 L HA 0.241 4.581 4.340 0.001 0.000 0.289 114 L C -0.334 176.567 176.870 0.051 0.000 1.032 114 L CA -0.087 54.710 54.840 -0.071 0.000 0.810 114 L CB 0.790 42.844 42.059 -0.008 0.000 1.205 114 L HN 0.693 nan 8.230 nan 0.000 0.422 115 Y N 2.222 122.595 120.300 0.122 0.000 2.201 115 Y HA 0.278 4.828 4.550 0.001 0.000 0.292 115 Y C 0.568 176.589 175.900 0.201 0.000 1.119 115 Y CA 0.091 58.286 58.100 0.159 0.000 1.127 115 Y CB 0.161 38.723 38.460 0.169 0.000 1.019 115 Y HN 0.523 nan 8.280 nan 0.000 0.514 116 E N -1.427 119.002 120.200 0.382 0.000 2.392 116 E HA 0.311 4.662 4.350 0.001 0.000 0.279 116 E C -2.006 174.770 176.600 0.294 0.000 0.964 116 E CA -0.878 55.683 56.400 0.269 0.000 0.777 116 E CB 2.706 32.578 29.700 0.286 0.000 1.249 116 E HN -0.104 nan 8.360 nan 0.000 0.449 117 F N 2.313 122.251 119.950 -0.019 0.000 2.539 117 F HA 0.523 5.050 4.527 0.001 0.000 0.328 117 F C -1.901 173.896 175.800 -0.005 0.000 1.148 117 F CA -0.648 57.401 58.000 0.081 0.000 0.940 117 F CB 0.658 39.697 39.000 0.065 0.000 1.194 117 F HN 0.340 nan 8.300 nan 0.000 0.438 118 F N 3.695 123.488 119.950 -0.262 0.000 2.470 118 F HA 0.515 5.042 4.527 0.001 0.000 0.329 118 F C -0.229 175.403 175.800 -0.281 0.000 1.072 118 F CA -0.703 57.215 58.000 -0.137 0.000 0.989 118 F CB 1.894 40.950 39.000 0.094 0.000 1.193 118 F HN 0.479 nan 8.300 nan 0.000 0.481 119 E N 1.824 122.084 120.200 0.100 0.000 2.263 119 E HA 0.304 4.655 4.350 0.001 0.000 0.268 119 E C -1.826 174.837 176.600 0.104 0.000 0.884 119 E CA -0.725 55.706 56.400 0.051 0.000 0.766 119 E CB 1.376 31.133 29.700 0.094 0.000 1.196 119 E HN 0.512 nan 8.360 nan 0.000 0.416 120 D N 2.027 122.466 120.400 0.064 0.000 2.440 120 D HA 0.128 4.769 4.640 0.001 0.000 0.258 120 D C 0.932 177.183 176.300 -0.083 0.000 1.092 120 D CA -0.384 53.662 54.000 0.076 0.000 1.016 120 D CB 1.218 42.159 40.800 0.234 0.000 1.141 120 D HN 0.505 nan 8.370 nan 0.000 0.552 121 K N -0.423 119.946 120.400 -0.051 0.000 2.360 121 K HA -0.038 4.282 4.320 0.001 0.000 0.201 121 K C 1.111 177.588 176.600 -0.205 0.000 1.046 121 K CA 1.186 57.412 56.287 -0.103 0.000 0.945 121 K CB 0.056 32.523 32.500 -0.054 0.000 0.750 121 K HN 0.354 nan 8.250 nan 0.000 0.464 122 G N -0.532 108.102 108.800 -0.277 0.000 2.801 122 G HA2 0.183 4.144 3.960 0.001 0.000 0.213 122 G HA3 0.183 4.144 3.960 0.001 0.000 0.213 122 G C -0.465 173.898 174.900 -0.895 0.000 1.052 122 G CA -0.258 44.499 45.100 -0.572 0.000 0.868 122 G HN 0.168 nan 8.290 nan 0.000 0.589 123 Y N -0.612 119.449 120.300 -0.398 0.000 2.524 123 Y HA 0.668 5.218 4.550 0.001 0.000 0.347 123 Y C -0.928 174.522 175.900 -0.751 0.000 1.005 123 Y CA -1.564 56.182 58.100 -0.589 0.000 1.025 123 Y CB 1.655 39.670 38.460 -0.741 0.000 1.275 123 Y HN -0.093 nan 8.280 nan 0.000 0.460 124 F N 1.564 121.362 119.950 -0.253 0.000 2.422 124 F HA 0.539 5.067 4.527 0.001 0.000 0.333 124 F C -0.869 174.653 175.800 -0.463 0.000 1.095 124 F CA -1.218 56.624 58.000 -0.264 0.000 1.038 124 F CB 0.821 39.810 39.000 -0.019 0.000 1.156 124 F HN 0.280 nan 8.300 nan 0.000 0.483 125 Y N 2.896 123.193 120.300 -0.004 0.000 2.331 125 Y HA 0.575 5.125 4.550 0.001 0.000 0.334 125 Y C -0.913 175.062 175.900 0.124 0.000 0.960 125 Y CA -0.977 57.085 58.100 -0.062 0.000 1.130 125 Y CB 1.341 39.633 38.460 -0.279 0.000 1.164 125 Y HN 0.302 nan 8.280 nan 0.000 0.458 126 L N 4.774 126.170 121.223 0.288 0.000 2.277 126 L HA 0.477 4.818 4.340 0.001 0.000 0.284 126 L C -0.710 176.292 176.870 0.219 0.000 1.028 126 L CA -0.399 54.639 54.840 0.330 0.000 0.835 126 L CB 1.157 43.378 42.059 0.269 0.000 1.215 126 L HN 0.423 nan 8.230 nan 0.000 0.425 127 V N 2.851 122.919 119.914 0.257 0.000 2.383 127 V HA 0.845 4.965 4.120 0.001 0.000 0.275 127 V C 0.650 176.818 176.094 0.123 0.000 1.036 127 V CA -0.371 62.030 62.300 0.169 0.000 0.889 127 V CB 0.970 32.885 31.823 0.154 0.000 0.985 127 V HN 0.786 nan 8.190 nan 0.000 0.459 128 G N 2.834 111.622 108.800 -0.021 0.000 2.680 128 G HA2 0.565 4.525 3.960 0.001 0.000 0.290 128 G HA3 0.565 4.525 3.960 0.001 0.000 0.290 128 G C -0.942 173.644 174.900 -0.525 0.000 1.355 128 G CA -0.679 44.231 45.100 -0.318 0.000 0.903 128 G HN 0.662 nan 8.290 nan 0.000 0.474 129 E N -0.356 119.291 120.200 -0.922 0.000 2.452 129 E HA 0.189 4.540 4.350 0.001 0.000 0.261 129 E C -0.097 176.021 176.600 -0.803 0.000 0.987 129 E CA -0.247 55.719 56.400 -0.723 0.000 0.926 129 E CB 1.087 30.424 29.700 -0.604 0.000 0.934 129 E HN 0.278 nan 8.360 nan 0.000 0.452 130 V N 6.289 125.915 119.914 -0.480 0.000 2.498 130 V HA 0.190 4.311 4.120 0.001 0.000 0.279 130 V C -1.347 174.478 176.094 -0.449 0.000 1.048 130 V CA -0.202 61.862 62.300 -0.393 0.000 0.967 130 V CB 0.268 32.026 31.823 -0.108 0.000 0.988 130 V HN 0.550 nan 8.190 nan 0.000 0.473 131 Y N 3.926 124.243 120.300 0.028 0.000 2.326 131 Y HA 0.408 4.959 4.550 0.001 0.000 0.331 131 Y C 1.083 177.004 175.900 0.034 0.000 0.962 131 Y CA -0.831 57.286 58.100 0.028 0.000 1.167 131 Y CB 1.875 40.347 38.460 0.020 0.000 1.148 131 Y HN 0.710 nan 8.280 nan 0.000 0.463 132 T N -2.994 111.665 114.554 0.176 0.000 3.069 132 T HA 0.173 4.523 4.350 0.001 0.000 0.252 132 T C 1.528 176.288 174.700 0.099 0.000 1.053 132 T CA 0.464 62.630 62.100 0.110 0.000 0.964 132 T CB 0.145 69.062 68.868 0.083 0.000 1.005 132 T HN 0.771 nan 8.240 nan 0.000 0.532 133 G N 0.657 109.522 108.800 0.110 0.000 3.042 133 G HA2 0.505 4.465 3.960 0.001 0.000 0.212 133 G HA3 0.505 4.465 3.960 0.001 0.000 0.212 133 G C 0.914 175.864 174.900 0.084 0.000 1.166 133 G CA -0.048 45.102 45.100 0.084 0.000 0.767 133 G HN 0.972 nan 8.290 nan 0.000 0.546 134 G N 0.080 108.938 108.800 0.096 0.000 2.796 134 G HA2 -0.196 3.764 3.960 0.001 0.000 0.226 134 G HA3 -0.196 3.764 3.960 0.001 0.000 0.226 134 G C -0.315 174.644 174.900 0.097 0.000 1.381 134 G CA -0.468 44.690 45.100 0.097 0.000 0.867 134 G HN 0.474 nan 8.290 nan 0.000 0.552 135 E N -0.348 119.920 120.200 0.112 0.000 2.383 135 E HA 0.300 4.650 4.350 0.001 0.000 0.264 135 E C 1.619 178.297 176.600 0.130 0.000 1.050 135 E CA -0.433 56.038 56.400 0.119 0.000 0.896 135 E CB 1.265 31.057 29.700 0.154 0.000 0.982 135 E HN 0.449 nan 8.360 nan 0.000 0.424 136 L N 2.769 124.049 121.223 0.095 0.000 2.081 136 L HA -0.229 4.112 4.340 0.001 0.000 0.212 136 L C 2.067 179.017 176.870 0.133 0.000 1.080 136 L CA 1.377 56.266 54.840 0.082 0.000 0.754 136 L CB -0.225 41.834 42.059 0.001 0.000 0.893 136 L HN 0.728 nan 8.230 nan 0.000 0.433 137 F N 1.252 121.217 119.950 0.025 0.000 2.087 137 F HA -0.372 4.155 4.527 0.001 0.000 0.299 137 F C 2.219 178.062 175.800 0.072 0.000 1.100 137 F CA 2.319 60.348 58.000 0.050 0.000 1.226 137 F CB -0.187 38.841 39.000 0.047 0.000 0.983 137 F HN 0.237 nan 8.300 nan 0.000 0.479 138 D N -0.078 120.430 120.400 0.180 0.000 2.178 138 D HA -0.138 4.502 4.640 0.001 0.000 0.202 138 D C 2.178 178.484 176.300 0.010 0.000 0.974 138 D CA 1.016 55.064 54.000 0.079 0.000 0.841 138 D CB -0.329 40.566 40.800 0.159 0.000 0.953 138 D HN 0.423 nan 8.370 nan 0.000 0.478 139 E N 0.746 120.984 120.200 0.064 0.000 2.077 139 E HA -0.110 4.240 4.350 0.001 0.000 0.193 139 E C 2.482 179.128 176.600 0.077 0.000 0.989 139 E CA 0.292 56.742 56.400 0.083 0.000 0.800 139 E CB -0.169 29.659 29.700 0.213 0.000 0.746 139 E HN 0.402 nan 8.360 nan 0.000 0.452 140 I N 1.367 122.004 120.570 0.113 0.000 2.127 140 I HA -0.275 3.895 4.170 0.001 0.000 0.241 140 I C 2.480 178.536 176.117 -0.103 0.000 1.075 140 I CA 1.235 62.590 61.300 0.091 0.000 1.334 140 I CB -0.466 37.522 38.000 -0.021 0.000 1.040 140 I HN 0.106 nan 8.210 nan 0.000 0.405 141 I N -1.237 119.174 120.570 -0.265 0.000 3.334 141 I HA -0.065 4.105 4.170 0.001 0.000 0.282 141 I C 1.880 177.918 176.117 -0.131 0.000 1.313 141 I CA 0.998 62.148 61.300 -0.249 0.000 1.396 141 I CB -0.400 37.369 38.000 -0.384 0.000 1.054 141 I HN 0.165 nan 8.210 nan 0.000 0.495 142 S N 1.210 116.848 115.700 -0.104 0.000 2.554 142 S HA 0.313 4.784 4.470 0.001 0.000 0.226 142 S C 0.548 175.087 174.600 -0.101 0.000 0.980 142 S CA -0.785 57.367 58.200 -0.080 0.000 0.939 142 S CB -0.046 63.119 63.200 -0.058 0.000 0.832 142 S HN 0.711 nan 8.310 nan 0.000 0.486 143 R N -0.224 120.202 120.500 -0.123 0.000 2.710 143 R HA 0.490 4.830 4.340 0.001 0.000 0.270 143 R C -0.392 175.829 176.300 -0.131 0.000 1.021 143 R CA -0.992 55.016 56.100 -0.153 0.000 0.889 143 R CB 0.741 30.888 30.300 -0.255 0.000 1.243 143 R HN -0.111 nan 8.270 nan 0.000 0.464 144 K N 0.329 120.653 120.400 -0.126 0.000 2.063 144 K HA -0.091 4.230 4.320 0.001 0.000 0.208 144 K C 0.659 177.196 176.600 -0.106 0.000 1.048 144 K CA 1.543 57.766 56.287 -0.108 0.000 0.928 144 K CB 0.014 32.451 32.500 -0.106 0.000 0.713 144 K HN 0.499 nan 8.250 nan 0.000 0.442 145 R N -0.907 119.517 120.500 -0.127 0.000 2.833 145 R HA 0.178 4.518 4.340 0.001 0.000 0.259 145 R C -1.781 174.453 176.300 -0.110 0.000 1.047 145 R CA -0.531 55.521 56.100 -0.080 0.000 0.916 145 R CB 0.744 30.965 30.300 -0.130 0.000 1.259 145 R HN -0.099 nan 8.270 nan 0.000 0.482 146 F N 1.676 121.554 119.950 -0.121 0.000 2.399 146 F HA 0.311 4.839 4.527 0.001 0.000 0.334 146 F C 1.036 176.785 175.800 -0.084 0.000 1.097 146 F CA -0.275 57.672 58.000 -0.089 0.000 1.076 146 F CB 1.911 40.869 39.000 -0.071 0.000 1.162 146 F HN 0.510 nan 8.300 nan 0.000 0.495 147 S N 1.470 117.216 115.700 0.076 0.000 2.584 147 S HA 0.073 4.543 4.470 0.001 0.000 0.270 147 S C 0.919 175.582 174.600 0.106 0.000 1.346 147 S CA -0.621 57.610 58.200 0.051 0.000 1.018 147 S CB 0.936 64.145 63.200 0.015 0.000 0.899 147 S HN 0.791 nan 8.310 nan 0.000 0.542 148 E N 0.711 120.985 120.200 0.123 0.000 2.085 148 E HA -0.129 4.222 4.350 0.001 0.000 0.194 148 E C 1.947 178.577 176.600 0.049 0.000 0.994 148 E CA 1.362 57.918 56.400 0.260 0.000 0.801 148 E CB -0.354 29.560 29.700 0.358 0.000 0.743 148 E HN 0.551 nan 8.360 nan 0.000 0.453 149 V N 1.970 121.872 119.914 -0.021 0.000 2.407 149 V HA -0.235 3.885 4.120 0.001 0.000 0.248 149 V C 1.669 177.662 176.094 -0.168 0.000 1.055 149 V CA 1.870 64.107 62.300 -0.106 0.000 1.049 149 V CB -0.346 31.493 31.823 0.027 0.000 0.662 149 V HN 0.215 nan 8.190 nan 0.000 0.455 150 D N 0.237 120.618 120.400 -0.031 0.000 2.123 150 D HA -0.051 4.589 4.640 0.001 0.000 0.200 150 D C 2.229 178.526 176.300 -0.005 0.000 0.976 150 D CA 1.491 55.510 54.000 0.032 0.000 0.831 150 D CB -0.225 40.678 40.800 0.171 0.000 0.974 150 D HN 0.440 nan 8.370 nan 0.000 0.469 151 A N 1.201 124.036 122.820 0.024 0.000 1.930 151 A HA -0.010 4.310 4.320 0.001 0.000 0.217 151 A C 2.305 179.820 177.584 -0.115 0.000 1.175 151 A CA 1.963 53.979 52.037 -0.035 0.000 0.627 151 A CB -0.559 18.505 19.000 0.107 0.000 0.815 151 A HN 0.224 nan 8.150 nan 0.000 0.443 152 A N -0.256 122.330 122.820 -0.390 0.000 1.902 152 A HA -0.163 4.157 4.320 0.001 0.000 0.217 152 A C 2.254 179.334 177.584 -0.839 0.000 1.181 152 A CA 1.663 53.151 52.037 -0.914 0.000 0.623 152 A CB -0.529 17.360 19.000 -1.852 0.000 0.818 152 A HN 0.535 nan 8.150 nan 0.000 0.443 153 R N -0.355 119.643 120.500 -0.837 0.000 2.091 153 R HA -0.128 4.213 4.340 0.001 0.000 0.238 153 R C 1.940 178.105 176.300 -0.225 0.000 1.136 153 R CA 1.888 57.726 56.100 -0.436 0.000 0.959 153 R CB -0.395 29.789 30.300 -0.194 0.000 0.856 153 R HN 0.569 nan 8.270 nan 0.000 0.437 154 I N 0.465 120.915 120.570 -0.201 0.000 2.202 154 I HA -0.273 3.897 4.170 0.001 0.000 0.242 154 I C 2.101 178.138 176.117 -0.134 0.000 1.091 154 I CA 0.754 61.961 61.300 -0.155 0.000 1.368 154 I CB -0.146 37.735 38.000 -0.199 0.000 1.058 154 I HN 0.193 nan 8.210 nan 0.000 0.410 155 I N 0.561 121.057 120.570 -0.124 0.000 2.315 155 I HA -0.234 3.936 4.170 0.001 0.000 0.248 155 I C 2.599 178.690 176.117 -0.044 0.000 1.117 155 I CA 1.321 62.585 61.300 -0.060 0.000 1.404 155 I CB -1.225 36.795 38.000 0.034 0.000 1.071 155 I HN 0.277 nan 8.210 nan 0.000 0.419 156 R N 0.895 121.353 120.500 -0.069 0.000 2.083 156 R HA -0.221 4.119 4.340 0.001 0.000 0.237 156 R C 2.229 178.522 176.300 -0.012 0.000 1.137 156 R CA 1.692 57.781 56.100 -0.019 0.000 0.951 156 R CB -0.071 30.229 30.300 0.000 0.000 0.851 156 R HN 0.447 nan 8.270 nan 0.000 0.434 157 Q N -0.409 119.366 119.800 -0.041 0.000 2.084 157 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 157 Q C 2.195 178.176 176.000 -0.031 0.000 0.978 157 Q CA 1.808 57.594 55.803 -0.027 0.000 0.844 157 Q CB 0.013 28.716 28.738 -0.058 0.000 0.898 157 Q HN 0.223 nan 8.270 nan 0.000 0.426 158 V N 1.171 121.046 119.914 -0.066 0.000 2.295 158 V HA -0.258 3.862 4.120 0.001 0.000 0.246 158 V C 2.196 178.236 176.094 -0.089 0.000 1.049 158 V CA 1.573 63.817 62.300 -0.094 0.000 1.024 158 V CB -0.524 31.233 31.823 -0.109 0.000 0.648 158 V HN 0.340 nan 8.190 nan 0.000 0.447 159 L N -0.101 121.091 121.223 -0.052 0.000 2.083 159 L HA -0.154 4.186 4.340 0.001 0.000 0.209 159 L C 2.723 179.578 176.870 -0.024 0.000 1.083 159 L CA 1.691 56.509 54.840 -0.036 0.000 0.752 159 L CB -0.625 41.440 42.059 0.010 0.000 0.899 159 L HN 0.396 nan 8.230 nan 0.000 0.433 160 S N 0.101 115.811 115.700 0.017 0.000 2.356 160 S HA -0.152 4.318 4.470 0.001 0.000 0.223 160 S C 2.039 176.584 174.600 -0.092 0.000 1.032 160 S CA 1.510 59.766 58.200 0.094 0.000 1.005 160 S CB -0.439 62.893 63.200 0.219 0.000 0.867 160 S HN 0.519 nan 8.310 nan 0.000 0.449 161 G N 2.100 110.736 108.800 -0.273 0.000 2.421 161 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 161 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 161 G C 1.465 176.207 174.900 -0.263 0.000 1.171 161 G CA 1.055 45.829 45.100 -0.543 0.000 0.775 161 G HN 0.751 nan 8.290 nan 0.000 0.543 162 I N -1.830 118.610 120.570 -0.216 0.000 2.761 162 I HA 0.053 4.224 4.170 0.001 0.000 0.261 162 I C 2.353 178.221 176.117 -0.416 0.000 1.198 162 I CA 1.472 62.572 61.300 -0.334 0.000 1.482 162 I CB -0.521 37.233 38.000 -0.410 0.000 1.100 162 I HN -0.056 nan 8.210 nan 0.000 0.445 163 T N 0.902 115.348 114.554 -0.180 0.000 2.708 163 T HA -0.240 4.110 4.350 0.001 0.000 0.266 163 T C 1.690 176.415 174.700 0.042 0.000 1.037 163 T CA 2.279 64.355 62.100 -0.039 0.000 1.146 163 T CB -0.565 68.327 68.868 0.040 0.000 0.865 163 T HN 0.599 nan 8.240 nan 0.000 0.435 164 Y N 1.350 121.606 120.300 -0.074 0.000 2.181 164 Y HA -0.102 4.449 4.550 0.000 0.000 0.288 164 Y C 2.330 178.244 175.900 0.024 0.000 1.146 164 Y CA 1.299 59.391 58.100 -0.014 0.000 1.164 164 Y CB -0.395 38.073 38.460 0.013 0.000 0.982 164 Y HN 0.118 nan 8.280 nan 0.000 0.515 165 M N -0.802 118.786 119.600 -0.019 0.000 2.080 165 M HA -0.281 4.199 4.480 0.001 0.000 0.260 165 M C 2.119 178.522 176.300 0.171 0.000 1.068 165 M CA 2.177 57.498 55.300 0.036 0.000 1.109 165 M CB -0.677 32.037 32.600 0.191 0.000 1.342 165 M HN 0.456 nan 8.290 nan 0.000 0.405 166 H N -0.813 118.322 119.070 0.108 0.000 2.389 166 H HA -0.126 4.430 4.556 0.001 0.000 0.299 166 H C 2.154 177.576 175.328 0.157 0.000 1.081 166 H CA 0.868 57.071 56.048 0.259 0.000 1.345 166 H CB 0.010 29.900 29.762 0.215 0.000 1.393 166 H HN 0.316 nan 8.280 nan 0.000 0.520 167 K N 1.014 121.506 120.400 0.152 0.000 2.152 167 K HA -0.116 4.204 4.320 0.001 0.000 0.206 167 K C 1.006 177.567 176.600 -0.065 0.000 1.048 167 K CA 1.051 57.356 56.287 0.030 0.000 0.933 167 K CB 0.128 32.605 32.500 -0.038 0.000 0.721 167 K HN 0.313 nan 8.250 nan 0.000 0.447 168 N N 1.005 119.613 118.700 -0.153 0.000 2.313 168 N HA -0.008 4.732 4.740 0.001 0.000 0.207 168 N C -0.598 174.835 175.510 -0.128 0.000 1.141 168 N CA 0.206 53.155 53.050 -0.169 0.000 0.830 168 N CB 0.695 38.997 38.487 -0.308 0.000 1.008 168 N HN 0.060 nan 8.380 nan 0.000 0.481 169 K N 0.281 120.558 120.400 -0.204 0.000 3.192 169 K HA -0.148 4.172 4.320 0.001 0.000 0.278 169 K C -0.552 175.771 176.600 -0.463 0.000 1.164 169 K CA 0.596 56.468 56.287 -0.691 0.000 0.816 169 K CB -1.847 30.324 32.500 -0.548 0.000 1.256 169 K HN 0.367 nan 8.250 nan 0.000 0.497 170 I N 0.010 120.576 120.570 -0.007 0.000 2.465 170 I HA 0.342 4.512 4.170 0.001 0.000 0.291 170 I C 0.039 176.424 176.117 0.447 0.000 1.014 170 I CA -1.114 60.255 61.300 0.114 0.000 1.093 170 I CB 2.324 40.309 38.000 -0.025 0.000 1.267 170 I HN -0.171 nan 8.210 nan 0.000 0.431 171 V N 5.478 125.626 119.914 0.390 0.000 2.628 171 V HA 0.317 4.438 4.120 0.001 0.000 0.306 171 V C 0.528 176.751 176.094 0.214 0.000 1.045 171 V CA -0.140 62.346 62.300 0.310 0.000 0.905 171 V CB 1.788 33.681 31.823 0.117 0.000 0.997 171 V HN 0.807 nan 8.190 nan 0.000 0.436 172 H N 5.262 124.394 119.070 0.102 0.000 2.329 172 H HA 0.136 4.692 4.556 0.001 0.000 0.306 172 H C 1.381 176.661 175.328 -0.080 0.000 1.062 172 H CA 1.833 57.831 56.048 -0.083 0.000 1.364 172 H CB 0.394 30.029 29.762 -0.211 0.000 1.409 172 H HN 0.808 nan 8.280 nan 0.000 0.519 173 R N -0.534 120.044 120.500 0.129 0.000 3.922 173 R HA -0.177 4.163 4.340 0.001 0.000 0.447 173 R C -0.542 175.797 176.300 0.065 0.000 1.035 173 R CA 1.196 57.331 56.100 0.058 0.000 1.289 173 R CB -1.569 28.742 30.300 0.019 0.000 1.906 173 R HN 0.326 nan 8.270 nan 0.000 0.540 174 D N 0.374 120.910 120.400 0.227 0.000 2.992 174 D HA 0.255 4.895 4.640 0.001 0.000 0.372 174 D C -0.627 175.717 176.300 0.075 0.000 1.374 174 D CA -0.184 53.895 54.000 0.131 0.000 0.769 174 D CB 0.355 41.173 40.800 0.031 0.000 1.215 174 D HN 0.090 nan 8.370 nan 0.000 0.473 175 L N 1.896 123.086 121.223 -0.055 0.000 2.360 175 L HA 0.335 4.675 4.340 0.001 0.000 0.276 175 L C 0.481 177.136 176.870 -0.360 0.000 1.121 175 L CA 0.375 55.033 54.840 -0.303 0.000 0.845 175 L CB 0.360 42.256 42.059 -0.271 0.000 1.143 175 L HN 0.109 nan 8.230 nan 0.000 0.452 176 K N 2.159 122.287 120.400 -0.454 0.000 2.658 176 K HA 0.398 4.718 4.320 0.001 0.000 0.293 176 K C -2.815 173.565 176.600 -0.366 0.000 1.026 176 K CA -1.484 54.349 56.287 -0.756 0.000 0.871 176 K CB 1.113 32.972 32.500 -1.068 0.000 1.524 176 K HN -0.122 nan 8.250 nan 0.000 0.400 177 P HA -0.140 nan 4.420 nan 0.000 0.218 177 P C 0.315 177.639 177.300 0.041 0.000 1.148 177 P CA 1.315 64.408 63.100 -0.011 0.000 0.822 177 P CB 0.153 31.958 31.700 0.174 0.000 0.784 178 E N -0.857 119.337 120.200 -0.009 0.000 2.204 178 E HA -0.126 4.224 4.350 0.001 0.000 0.195 178 E C 0.943 177.516 176.600 -0.045 0.000 0.990 178 E CA 0.928 57.298 56.400 -0.050 0.000 0.821 178 E CB -0.630 28.973 29.700 -0.161 0.000 0.750 178 E HN 0.246 nan 8.360 nan 0.000 0.477 179 N N -0.039 118.609 118.700 -0.087 0.000 2.279 179 N HA 0.149 4.889 4.740 0.001 0.000 0.226 179 N C -0.851 174.605 175.510 -0.091 0.000 1.126 179 N CA 0.145 53.151 53.050 -0.073 0.000 0.846 179 N CB 0.572 39.006 38.487 -0.087 0.000 1.050 179 N HN 0.086 nan 8.380 nan 0.000 0.502 180 L N 1.182 122.361 121.223 -0.074 0.000 2.343 180 L HA 0.477 4.817 4.340 0.001 0.000 0.278 180 L C -0.486 176.363 176.870 -0.036 0.000 0.996 180 L CA -0.408 54.384 54.840 -0.080 0.000 0.831 180 L CB 1.917 43.913 42.059 -0.107 0.000 1.232 180 L HN -0.217 nan 8.230 nan 0.000 0.413 181 L N 4.057 125.253 121.223 -0.045 0.000 2.322 181 L HA 0.537 4.877 4.340 0.001 0.000 0.279 181 L C -0.329 176.505 176.870 -0.059 0.000 1.036 181 L CA -0.800 54.033 54.840 -0.010 0.000 0.807 181 L CB 2.108 44.202 42.059 0.058 0.000 1.226 181 L HN 0.459 nan 8.230 nan 0.000 0.433 182 L N 2.193 123.416 121.223 0.001 0.000 2.326 182 L HA 0.176 4.516 4.340 0.001 0.000 0.278 182 L C 1.387 178.273 176.870 0.027 0.000 1.092 182 L CA -0.093 54.745 54.840 -0.003 0.000 0.810 182 L CB 1.078 43.157 42.059 0.034 0.000 1.153 182 L HN 0.641 nan 8.230 nan 0.000 0.439 183 E N 0.977 121.175 120.200 -0.004 0.000 2.110 183 E HA -0.119 4.232 4.350 0.001 0.000 0.193 183 E C 0.404 177.092 176.600 0.147 0.000 0.988 183 E CA 1.214 57.669 56.400 0.093 0.000 0.804 183 E CB 0.245 29.976 29.700 0.051 0.000 0.745 183 E HN 0.748 nan 8.360 nan 0.000 0.458 184 S N -1.672 114.083 115.700 0.091 0.000 2.688 184 S HA 0.318 4.789 4.470 0.001 0.000 0.275 184 S C 0.024 174.662 174.600 0.063 0.000 1.175 184 S CA -0.960 57.289 58.200 0.082 0.000 0.818 184 S CB 1.565 64.810 63.200 0.074 0.000 1.157 184 S HN -0.108 nan 8.310 nan 0.000 0.482 185 K N 0.677 121.110 120.400 0.055 0.000 2.418 185 K HA 0.153 4.474 4.320 0.001 0.000 0.195 185 K C 0.920 177.541 176.600 0.035 0.000 1.035 185 K CA 0.387 56.701 56.287 0.045 0.000 1.003 185 K CB -0.064 32.461 32.500 0.041 0.000 0.793 185 K HN 0.595 nan 8.250 nan 0.000 0.494 186 S N 1.321 117.043 115.700 0.036 0.000 2.554 186 S HA -0.070 4.400 4.470 0.001 0.000 0.290 186 S C 1.145 175.761 174.600 0.027 0.000 1.309 186 S CA 0.013 58.231 58.200 0.030 0.000 1.047 186 S CB 0.572 63.792 63.200 0.033 0.000 0.828 186 S HN 0.079 nan 8.310 nan 0.000 0.509 187 K N 2.090 122.502 120.400 0.020 0.000 2.288 187 K HA -0.033 4.287 4.320 0.001 0.000 0.201 187 K C 0.839 177.452 176.600 0.022 0.000 1.048 187 K CA 1.044 57.342 56.287 0.017 0.000 0.956 187 K CB -0.448 32.056 32.500 0.006 0.000 0.746 187 K HN 0.848 nan 8.250 nan 0.000 0.461 188 D N 0.108 120.521 120.400 0.022 0.000 2.370 188 D HA 0.068 4.708 4.640 0.001 0.000 0.230 188 D C 0.068 176.378 176.300 0.018 0.000 1.143 188 D CA -0.283 53.730 54.000 0.021 0.000 0.834 188 D CB -0.264 40.549 40.800 0.021 0.000 0.944 188 D HN -0.071 nan 8.370 nan 0.000 0.504 189 A N 0.628 123.461 122.820 0.021 0.000 2.488 189 A HA 0.204 4.525 4.320 0.001 0.000 0.249 189 A C 0.427 178.007 177.584 -0.007 0.000 1.083 189 A CA -0.468 51.579 52.037 0.016 0.000 0.768 189 A CB -0.168 18.848 19.000 0.026 0.000 1.017 189 A HN 0.291 nan 8.150 nan 0.000 0.496 190 N N 1.530 120.218 118.700 -0.021 0.000 2.453 190 N HA 0.141 4.882 4.740 0.001 0.000 0.253 190 N C -0.318 175.136 175.510 -0.093 0.000 1.252 190 N CA 0.032 53.048 53.050 -0.057 0.000 0.917 190 N CB 0.258 38.711 38.487 -0.056 0.000 1.117 190 N HN 0.456 nan 8.380 nan 0.000 0.442 191 I N 2.868 123.373 120.570 -0.108 0.000 2.385 191 I HA 0.302 4.472 4.170 0.001 0.000 0.294 191 I C 0.188 176.194 176.117 -0.185 0.000 0.988 191 I CA -0.417 60.805 61.300 -0.131 0.000 1.265 191 I CB 1.000 38.938 38.000 -0.104 0.000 1.388 191 I HN 0.499 nan 8.210 nan 0.000 0.480 192 R N 6.554 126.902 120.500 -0.254 0.000 2.480 192 R HA 0.544 4.884 4.340 0.001 0.000 0.306 192 R C -0.656 175.562 176.300 -0.136 0.000 0.958 192 R CA -0.895 55.032 56.100 -0.287 0.000 0.861 192 R CB 2.114 31.990 30.300 -0.707 0.000 1.171 192 R HN 0.490 nan 8.270 nan 0.000 0.445 193 I N 5.240 125.784 120.570 -0.044 0.000 2.416 193 I HA 0.228 4.399 4.170 0.001 0.000 0.288 193 I C 1.045 177.284 176.117 0.203 0.000 1.051 193 I CA -0.054 61.244 61.300 -0.003 0.000 1.375 193 I CB 0.469 38.454 38.000 -0.026 0.000 1.407 193 I HN 0.517 nan 8.210 nan 0.000 0.516 194 I N 1.771 122.432 120.570 0.152 0.000 3.436 194 I HA 0.623 4.793 4.170 0.001 0.000 0.300 194 I C -0.495 175.774 176.117 0.254 0.000 1.131 194 I CA -0.848 60.624 61.300 0.287 0.000 1.001 194 I CB 1.647 39.761 38.000 0.190 0.000 1.305 194 I HN 0.492 nan 8.210 nan 0.000 0.494 195 D N 0.905 121.469 120.400 0.274 0.000 3.357 195 D HA -0.233 4.408 4.640 0.001 0.000 0.238 195 D C -0.583 175.716 176.300 -0.002 0.000 1.126 195 D CA 0.754 54.839 54.000 0.141 0.000 0.984 195 D CB -0.917 39.920 40.800 0.061 0.000 0.925 195 D HN 0.589 nan 8.370 nan 0.000 0.414 196 F N 0.019 119.925 119.950 -0.073 0.000 2.663 196 F HA 0.302 4.829 4.527 0.001 0.000 0.299 196 F C 2.322 178.008 175.800 -0.190 0.000 1.143 196 F CA 0.141 58.014 58.000 -0.211 0.000 1.387 196 F CB 0.475 39.405 39.000 -0.118 0.000 1.019 196 F HN 0.375 nan 8.300 nan 0.000 0.523 197 G N 0.210 108.990 108.800 -0.034 0.000 2.462 197 G HA2 -0.196 3.764 3.960 0.001 0.000 0.220 197 G HA3 -0.196 3.764 3.960 0.001 0.000 0.220 197 G C 1.393 176.249 174.900 -0.074 0.000 1.121 197 G CA 0.647 45.720 45.100 -0.046 0.000 0.758 197 G HN 0.408 nan 8.290 nan 0.000 0.559 198 L N 0.931 122.074 121.223 -0.134 0.000 2.728 198 L HA 0.234 4.575 4.340 0.001 0.000 0.238 198 L C 0.592 177.392 176.870 -0.117 0.000 1.143 198 L CA -0.338 54.436 54.840 -0.110 0.000 0.937 198 L CB 0.290 42.286 42.059 -0.104 0.000 1.225 198 L HN 0.026 nan 8.230 nan 0.000 0.507 199 S N -0.269 115.340 115.700 -0.150 0.000 2.614 199 S HA 0.472 4.942 4.470 0.001 0.000 0.265 199 S C 0.219 174.809 174.600 -0.015 0.000 1.303 199 S CA -0.052 58.091 58.200 -0.095 0.000 1.000 199 S CB 2.034 65.211 63.200 -0.039 0.000 0.935 199 S HN 0.219 nan 8.310 nan 0.000 0.551 200 T N -0.151 114.410 114.554 0.012 0.000 2.786 200 T HA 0.361 4.712 4.350 0.001 0.000 0.316 200 T C -1.662 173.034 174.700 -0.007 0.000 1.503 200 T CA -0.685 61.424 62.100 0.015 0.000 1.019 200 T CB 0.444 69.348 68.868 0.060 0.000 1.415 200 T HN 0.658 nan 8.240 nan 0.000 0.496 201 H N 1.195 120.294 119.070 0.048 0.000 2.629 201 H HA 0.557 5.113 4.556 0.001 0.000 0.357 201 H C -0.091 175.265 175.328 0.046 0.000 1.121 201 H CA 0.392 56.433 56.048 -0.011 0.000 1.406 201 H CB 0.427 30.144 29.762 -0.075 0.000 1.456 201 H HN 0.477 nan 8.280 nan 0.000 0.579 202 F N -1.160 118.840 119.950 0.082 0.000 2.579 202 F HA 0.670 5.198 4.527 0.000 0.000 0.324 202 F C -0.726 175.076 175.800 0.003 0.000 1.058 202 F CA -1.106 56.895 58.000 0.002 0.000 0.944 202 F CB 1.478 40.444 39.000 -0.056 0.000 1.245 202 F HN 0.412 nan 8.300 nan 0.000 0.477 203 E N 0.255 120.546 120.200 0.151 0.000 2.336 203 E HA 0.620 4.970 4.350 0.001 0.000 0.267 203 E C -0.131 176.558 176.600 0.150 0.000 0.906 203 E CA -1.006 55.427 56.400 0.054 0.000 0.781 203 E CB 2.199 31.902 29.700 0.005 0.000 1.261 203 E HN 0.783 nan 8.360 nan 0.000 0.436 204 A N 1.011 123.889 122.820 0.098 0.000 2.072 204 A HA -0.013 4.308 4.320 0.001 0.000 0.216 204 A C 2.104 179.713 177.584 0.042 0.000 1.156 204 A CA 1.559 53.649 52.037 0.088 0.000 0.701 204 A CB -0.737 18.308 19.000 0.075 0.000 0.816 204 A HN 0.667 nan 8.150 nan 0.000 0.458 205 S N -0.864 114.850 115.700 0.025 0.000 2.436 205 S HA 0.386 4.856 4.470 0.001 0.000 0.228 205 S C 1.139 175.739 174.600 -0.000 0.000 1.014 205 S CA 1.545 59.750 58.200 0.008 0.000 0.950 205 S CB -0.274 62.926 63.200 0.001 0.000 0.784 205 S HN 0.852 nan 8.310 nan 0.000 0.504 206 K N 1.377 121.776 120.400 -0.001 0.000 2.426 206 K HA 0.686 5.006 4.320 0.001 0.000 0.251 206 K C -0.768 175.812 176.600 -0.035 0.000 0.941 206 K CA -0.914 55.361 56.287 -0.019 0.000 0.808 206 K CB 0.801 33.287 32.500 -0.023 0.000 1.265 206 K HN 0.158 nan 8.250 nan 0.000 0.432 207 K N 1.361 121.719 120.400 -0.070 0.000 2.087 207 K HA 0.489 4.810 4.320 0.001 0.000 0.255 207 K C 0.143 176.613 176.600 -0.217 0.000 0.988 207 K CA -0.572 55.633 56.287 -0.137 0.000 0.915 207 K CB 1.211 33.633 32.500 -0.131 0.000 1.043 207 K HN 0.726 nan 8.250 nan 0.000 0.457 208 M N 1.863 121.215 119.600 -0.414 0.000 2.241 208 M HA 0.074 4.554 4.480 0.001 0.000 0.335 208 M C 1.202 177.098 176.300 -0.673 0.000 1.122 208 M CA 0.277 55.222 55.300 -0.592 0.000 1.164 208 M CB 0.540 32.604 32.600 -0.893 0.000 1.459 208 M HN 0.312 nan 8.290 nan 0.000 0.461 209 K N -0.030 120.164 120.400 -0.344 0.000 2.493 209 K HA 0.173 4.494 4.320 0.001 0.000 0.201 209 K C -0.524 176.155 176.600 0.132 0.000 1.355 209 K CA 0.233 56.472 56.287 -0.080 0.000 0.953 209 K CB 0.016 32.481 32.500 -0.058 0.000 1.316 209 K HN 0.569 nan 8.250 nan 0.000 0.522 210 D N 3.341 123.815 120.400 0.123 0.000 2.502 210 D HA -0.036 4.605 4.640 0.001 0.000 0.249 210 D C -0.302 176.104 176.300 0.176 0.000 1.188 210 D CA 0.692 54.773 54.000 0.135 0.000 0.890 210 D CB 0.343 41.203 40.800 0.100 0.000 1.140 210 D HN -0.113 nan 8.370 nan 0.000 0.505 211 K N 3.438 123.875 120.400 0.062 0.000 2.054 211 K HA 0.243 4.564 4.320 0.001 0.000 0.242 211 K C -0.067 176.503 176.600 -0.050 0.000 1.157 211 K CA 0.188 56.460 56.287 -0.025 0.000 1.079 211 K CB 0.188 32.662 32.500 -0.043 0.000 1.331 211 K HN 0.386 nan 8.250 nan 0.000 0.317 212 I N 1.107 121.631 120.570 -0.077 0.000 2.545 212 I HA 0.521 4.692 4.170 0.001 0.000 0.292 212 I C 0.445 176.509 176.117 -0.090 0.000 1.040 212 I CA -0.381 60.885 61.300 -0.055 0.000 1.068 212 I CB 2.125 40.123 38.000 -0.003 0.000 1.251 212 I HN 0.723 nan 8.210 nan 0.000 0.424 213 G N 3.671 112.438 108.800 -0.055 0.000 2.356 213 G HA2 0.143 4.103 3.960 0.001 0.000 0.266 213 G HA3 0.143 4.103 3.960 0.001 0.000 0.266 213 G C -1.339 173.563 174.900 0.004 0.000 1.312 213 G CA -0.617 44.465 45.100 -0.029 0.000 0.922 213 G HN 0.431 nan 8.290 nan 0.000 0.480 214 T N 0.589 115.184 114.554 0.068 0.000 2.861 214 T HA 0.629 4.979 4.350 0.001 0.000 0.287 214 T C 1.393 176.164 174.700 0.119 0.000 1.003 214 T CA 0.684 62.853 62.100 0.115 0.000 0.977 214 T CB 1.585 70.588 68.868 0.224 0.000 0.996 214 T HN 1.562 nan 8.240 nan 0.000 0.448 215 A N 1.910 124.718 122.820 -0.020 0.000 1.892 215 A HA -0.146 4.174 4.320 0.001 0.000 0.218 215 A C 1.665 179.174 177.584 -0.125 0.000 1.188 215 A CA 1.848 53.808 52.037 -0.128 0.000 0.631 215 A CB -1.020 17.840 19.000 -0.233 0.000 0.822 215 A HN 0.866 nan 8.150 nan 0.000 0.447 216 Y N -1.823 118.385 120.300 -0.153 0.000 2.333 216 Y HA -0.173 4.378 4.550 0.001 0.000 0.290 216 Y C 1.811 177.433 175.900 -0.463 0.000 1.144 216 Y CA 1.436 59.279 58.100 -0.427 0.000 1.228 216 Y CB -0.564 37.367 38.460 -0.881 0.000 0.985 216 Y HN 0.515 nan 8.280 nan 0.000 0.542 217 Y N -1.827 118.628 120.300 0.258 0.000 2.430 217 Y HA 0.262 4.812 4.550 0.001 0.000 0.248 217 Y C 0.753 176.785 175.900 0.219 0.000 1.108 217 Y CA -1.052 57.189 58.100 0.235 0.000 1.264 217 Y CB 0.372 38.927 38.460 0.158 0.000 1.172 217 Y HN -0.132 nan 8.280 nan 0.000 0.520 218 I N 1.660 122.331 120.570 0.169 0.000 2.496 218 I HA 0.331 4.501 4.170 0.001 0.000 0.285 218 I C 0.395 176.319 176.117 -0.320 0.000 1.080 218 I CA -0.561 60.710 61.300 -0.049 0.000 1.404 218 I CB 0.585 38.511 38.000 -0.122 0.000 1.403 218 I HN 0.135 nan 8.210 nan 0.000 0.539 219 A N 8.874 131.359 122.820 -0.559 0.000 2.440 219 A HA 0.340 4.660 4.320 0.001 0.000 0.251 219 A C -1.798 175.181 177.584 -1.008 0.000 1.089 219 A CA -1.139 50.169 52.037 -1.216 0.000 0.779 219 A CB -0.051 18.478 19.000 -0.785 0.000 1.022 219 A HN 0.649 nan 8.150 nan 0.000 0.492 220 P HA -0.222 nan 4.420 nan 0.000 0.216 220 P C 1.288 178.254 177.300 -0.557 0.000 1.150 220 P CA 1.686 64.309 63.100 -0.795 0.000 0.843 220 P CB 0.134 31.276 31.700 -0.930 0.000 0.787 221 E N -0.179 119.662 120.200 -0.598 0.000 2.347 221 E HA -0.071 4.280 4.350 0.001 0.000 0.196 221 E C 1.701 178.158 176.600 -0.238 0.000 1.008 221 E CA 0.942 57.144 56.400 -0.329 0.000 0.852 221 E CB -1.184 28.349 29.700 -0.278 0.000 0.783 221 E HN 0.099 nan 8.360 nan 0.000 0.505 222 V N 1.368 120.992 119.914 -0.484 0.000 2.307 222 V HA -0.236 3.884 4.120 0.001 0.000 0.245 222 V C 2.529 178.447 176.094 -0.293 0.000 1.045 222 V CA 1.240 63.149 62.300 -0.651 0.000 1.024 222 V CB -0.543 30.767 31.823 -0.854 0.000 0.651 222 V HN 0.173 nan 8.190 nan 0.000 0.449 223 L N -0.109 120.954 121.223 -0.265 0.000 2.043 223 L HA -0.237 4.103 4.340 0.001 0.000 0.212 223 L C 2.447 179.267 176.870 -0.082 0.000 1.075 223 L CA 2.094 56.835 54.840 -0.166 0.000 0.752 223 L CB -1.655 40.293 42.059 -0.185 0.000 0.891 223 L HN 0.478 nan 8.230 nan 0.000 0.432 224 H N -0.537 118.447 119.070 -0.143 0.000 2.457 224 H HA -0.052 4.504 4.556 0.001 0.000 0.294 224 H C 1.366 176.675 175.328 -0.033 0.000 1.064 224 H CA 1.108 57.107 56.048 -0.082 0.000 1.330 224 H CB 0.366 30.076 29.762 -0.087 0.000 1.395 224 H HN 0.448 nan 8.280 nan 0.000 0.541 225 G N 0.547 109.379 108.800 0.052 0.000 2.131 225 G HA2 -0.211 3.750 3.960 0.001 0.000 0.223 225 G HA3 -0.211 3.750 3.960 0.001 0.000 0.223 225 G C -0.174 174.807 174.900 0.135 0.000 0.990 225 G CA 0.443 45.596 45.100 0.088 0.000 0.671 225 G HN 0.476 nan 8.290 nan 0.000 0.521 226 T N 0.059 114.734 114.554 0.202 0.000 2.949 226 T HA 0.666 5.016 4.350 0.001 0.000 0.300 226 T C -0.636 174.161 174.700 0.161 0.000 0.988 226 T CA 0.064 62.225 62.100 0.103 0.000 0.993 226 T CB 1.637 70.552 68.868 0.079 0.000 0.984 226 T HN 1.218 nan 8.240 nan 0.000 0.442 227 Y N 0.646 120.901 120.300 -0.074 0.000 2.750 227 Y HA 0.766 5.316 4.550 0.001 0.000 0.335 227 Y C -1.424 174.398 175.900 -0.130 0.000 1.252 227 Y CA -1.414 56.616 58.100 -0.116 0.000 1.064 227 Y CB 0.798 39.172 38.460 -0.144 0.000 1.321 227 Y HN 0.572 nan 8.280 nan 0.000 0.451 228 D N -1.237 119.159 120.400 -0.006 0.000 2.801 228 D HA 0.161 4.801 4.640 0.001 0.000 0.277 228 D C 0.793 176.945 176.300 -0.247 0.000 1.125 228 D CA -0.170 53.709 54.000 -0.201 0.000 1.102 228 D CB 0.045 40.709 40.800 -0.227 0.000 1.400 228 D HN 0.676 nan 8.370 nan 0.000 0.601 229 E N 0.306 120.115 120.200 -0.652 0.000 2.333 229 E HA -0.204 4.147 4.350 0.001 0.000 0.198 229 E C 0.946 177.333 176.600 -0.355 0.000 1.007 229 E CA 0.860 56.778 56.400 -0.805 0.000 0.845 229 E CB -0.305 28.386 29.700 -1.683 0.000 0.766 229 E HN 0.371 nan 8.360 nan 0.000 0.507 230 K N 0.929 121.214 120.400 -0.191 0.000 2.360 230 K HA -0.105 4.216 4.320 0.001 0.000 0.201 230 K C 2.361 178.978 176.600 0.029 0.000 1.046 230 K CA 1.115 57.388 56.287 -0.024 0.000 0.940 230 K CB -0.824 31.667 32.500 -0.015 0.000 0.748 230 K HN 0.508 nan 8.250 nan 0.000 0.465 231 C N 0.585 119.873 119.300 -0.020 0.000 2.413 231 C HA -0.101 4.360 4.460 0.001 0.000 0.277 231 C C 1.971 177.006 174.990 0.074 0.000 1.265 231 C CA 0.653 59.649 59.018 -0.036 0.000 1.752 231 C CB -0.711 26.943 27.740 -0.143 0.000 1.998 231 C HN 0.310 nan 8.230 nan 0.000 0.489 232 D N 1.015 121.480 120.400 0.108 0.000 2.178 232 D HA -0.039 4.601 4.640 0.001 0.000 0.202 232 D C 2.424 178.808 176.300 0.141 0.000 0.974 232 D CA 1.203 55.295 54.000 0.153 0.000 0.841 232 D CB -0.209 40.751 40.800 0.266 0.000 0.953 232 D HN 0.469 nan 8.370 nan 0.000 0.478 233 V N 0.765 120.777 119.914 0.163 0.000 2.295 233 V HA -0.198 3.922 4.120 0.001 0.000 0.246 233 V C 2.215 178.388 176.094 0.132 0.000 1.049 233 V CA 1.296 63.670 62.300 0.124 0.000 1.024 233 V CB -0.531 31.367 31.823 0.124 0.000 0.648 233 V HN 0.392 nan 8.190 nan 0.000 0.447 234 W N 1.289 122.581 121.300 -0.013 0.000 2.301 234 W HA -0.275 4.385 4.660 0.001 0.000 0.325 234 W C 2.610 179.137 176.519 0.014 0.000 1.250 234 W CA 2.543 59.874 57.345 -0.024 0.000 1.261 234 W CB -0.688 28.730 29.460 -0.071 0.000 1.157 234 W HN 0.332 nan 8.180 nan 0.000 0.473 235 S N 0.381 116.287 115.700 0.344 0.000 2.374 235 S HA -0.229 4.241 4.470 0.001 0.000 0.227 235 S C 1.656 176.335 174.600 0.132 0.000 1.037 235 S CA 2.508 60.873 58.200 0.276 0.000 1.024 235 S CB -0.897 62.425 63.200 0.203 0.000 0.861 235 S HN 0.325 nan 8.310 nan 0.000 0.456 236 T N 1.357 115.942 114.554 0.051 0.000 2.788 236 T HA -0.033 4.317 4.350 0.001 0.000 0.268 236 T C 2.057 176.740 174.700 -0.029 0.000 1.044 236 T CA 1.236 63.333 62.100 -0.005 0.000 1.139 236 T CB -0.782 68.072 68.868 -0.023 0.000 0.867 236 T HN 0.557 nan 8.240 nan 0.000 0.454 237 G N 0.979 109.730 108.800 -0.081 0.000 2.432 237 G HA2 -0.157 3.804 3.960 0.001 0.000 0.219 237 G HA3 -0.157 3.804 3.960 0.001 0.000 0.219 237 G C 1.663 176.474 174.900 -0.149 0.000 1.135 237 G CA 0.736 45.738 45.100 -0.164 0.000 0.767 237 G HN 0.441 nan 8.290 nan 0.000 0.550 238 V N 1.051 120.884 119.914 -0.134 0.000 2.358 238 V HA -0.111 4.010 4.120 0.001 0.000 0.246 238 V C 2.772 178.931 176.094 0.109 0.000 1.047 238 V CA 1.365 63.637 62.300 -0.047 0.000 1.035 238 V CB -0.353 31.499 31.823 0.048 0.000 0.658 238 V HN 0.390 nan 8.190 nan 0.000 0.452 239 I N -0.348 120.311 120.570 0.149 0.000 2.127 239 I HA -0.279 3.892 4.170 0.001 0.000 0.241 239 I C 2.452 178.590 176.117 0.036 0.000 1.075 239 I CA 1.558 62.925 61.300 0.112 0.000 1.334 239 I CB -0.479 37.533 38.000 0.021 0.000 1.040 239 I HN 0.315 nan 8.210 nan 0.000 0.405 240 L N 0.324 121.553 121.223 0.010 0.000 2.013 240 L HA -0.298 4.042 4.340 0.001 0.000 0.212 240 L C 2.488 179.394 176.870 0.061 0.000 1.073 240 L CA 1.963 56.799 54.840 -0.007 0.000 0.753 240 L CB -1.034 41.000 42.059 -0.042 0.000 0.890 240 L HN 0.249 nan 8.230 nan 0.000 0.432 241 Y N -0.206 120.098 120.300 0.007 0.000 2.128 241 Y HA -0.290 4.261 4.550 0.001 0.000 0.284 241 Y C 2.411 178.369 175.900 0.097 0.000 1.154 241 Y CA 2.296 60.494 58.100 0.163 0.000 1.149 241 Y CB -0.163 38.320 38.460 0.037 0.000 0.976 241 Y HN 0.226 nan 8.280 nan 0.000 0.505 242 I N -0.263 120.466 120.570 0.265 0.000 2.286 242 I HA -0.345 3.825 4.170 0.001 0.000 0.248 242 I C 2.236 178.349 176.117 -0.006 0.000 1.115 242 I CA 1.206 62.580 61.300 0.123 0.000 1.392 242 I CB -0.408 37.644 38.000 0.087 0.000 1.065 242 I HN 0.294 nan 8.210 nan 0.000 0.418 243 L N 0.047 121.233 121.223 -0.060 0.000 2.046 243 L HA -0.219 4.121 4.340 0.001 0.000 0.208 243 L C 2.377 179.212 176.870 -0.058 0.000 1.077 243 L CA 1.410 56.163 54.840 -0.145 0.000 0.747 243 L CB -0.416 41.453 42.059 -0.317 0.000 0.896 243 L HN 0.285 nan 8.230 nan 0.000 0.432 244 L N -1.236 119.885 121.223 -0.170 0.000 2.341 244 L HA -0.040 4.301 4.340 0.001 0.000 0.214 244 L C 2.380 178.878 176.870 -0.620 0.000 1.115 244 L CA 0.994 55.633 54.840 -0.334 0.000 0.820 244 L CB -0.154 41.673 42.059 -0.388 0.000 0.944 244 L HN 0.338 nan 8.230 nan 0.000 0.452 245 S N -2.108 113.217 115.700 -0.624 0.000 2.554 245 S HA 0.259 4.730 4.470 0.001 0.000 0.227 245 S C 1.515 175.935 174.600 -0.300 0.000 1.050 245 S CA 0.466 58.244 58.200 -0.703 0.000 0.927 245 S CB 1.097 63.751 63.200 -0.910 0.000 0.859 245 S HN 0.370 nan 8.310 nan 0.000 0.494 246 G N 1.037 109.744 108.800 -0.154 0.000 2.176 246 G HA2 -0.261 3.699 3.960 0.001 0.000 0.253 246 G HA3 -0.261 3.699 3.960 0.001 0.000 0.253 246 G C 0.237 175.114 174.900 -0.039 0.000 0.979 246 G CA 0.152 45.209 45.100 -0.072 0.000 0.641 246 G HN 1.539 nan 8.290 nan 0.000 0.530 247 C N -2.034 117.275 119.300 0.015 0.000 2.898 247 C HA 0.854 5.315 4.460 0.001 0.000 0.304 247 C C -2.616 172.446 174.990 0.121 0.000 1.237 247 C CA -2.594 56.451 59.018 0.045 0.000 1.529 247 C CB 1.723 29.500 27.740 0.060 0.000 2.021 247 C HN 0.155 nan 8.230 nan 0.000 0.474 248 P HA 0.268 nan 4.420 nan 0.000 0.275 248 P C -1.808 175.316 177.300 -0.294 0.000 1.227 248 P CA -0.962 62.011 63.100 -0.212 0.000 0.781 248 P CB 0.458 31.879 31.700 -0.465 0.000 0.906 249 P HA -0.027 nan 4.420 nan 0.000 0.225 249 P C -0.427 176.216 177.300 -1.094 0.000 1.156 249 P CA 1.238 63.481 63.100 -1.429 0.000 0.787 249 P CB 0.152 30.547 31.700 -2.175 0.000 0.802 250 F N 0.036 119.878 119.950 -0.180 0.000 2.496 250 F HA 0.486 5.014 4.527 0.001 0.000 0.341 250 F C 0.485 176.329 175.800 0.073 0.000 1.134 250 F CA -0.952 57.032 58.000 -0.027 0.000 0.968 250 F CB 0.932 39.943 39.000 0.017 0.000 1.205 250 F HN -0.231 nan 8.300 nan 0.000 0.436 251 N N 1.111 119.931 118.700 0.200 0.000 2.577 251 N HA 0.874 5.614 4.740 0.001 0.000 0.285 251 N C -0.482 175.128 175.510 0.166 0.000 1.309 251 N CA -0.405 52.779 53.050 0.224 0.000 0.798 251 N CB 2.531 41.102 38.487 0.141 0.000 1.463 251 N HN 0.834 nan 8.380 nan 0.000 0.518 252 G N -1.358 107.538 108.800 0.159 0.000 2.313 252 G HA2 0.441 4.401 3.960 0.001 0.000 0.296 252 G HA3 0.441 4.401 3.960 0.001 0.000 0.296 252 G C -0.195 174.762 174.900 0.095 0.000 1.356 252 G CA 0.142 45.304 45.100 0.105 0.000 0.833 252 G HN 0.588 nan 8.290 nan 0.000 0.552 253 A N -0.531 122.334 122.820 0.075 0.000 1.968 253 A HA 0.388 4.709 4.320 0.001 0.000 0.217 253 A C 1.043 178.659 177.584 0.054 0.000 1.169 253 A CA 2.157 54.234 52.037 0.066 0.000 0.638 253 A CB -0.581 18.453 19.000 0.057 0.000 0.812 253 A HN 1.715 nan 8.150 nan 0.000 0.446 254 N N -3.337 115.392 118.700 0.047 0.000 2.934 254 N HA 0.213 4.953 4.740 0.001 0.000 0.253 254 N C 0.278 175.794 175.510 0.010 0.000 1.466 254 N CA -0.077 52.991 53.050 0.030 0.000 0.858 254 N CB 0.386 38.902 38.487 0.047 0.000 1.459 254 N HN -0.048 nan 8.380 nan 0.000 0.532 255 E N -0.574 119.623 120.200 -0.005 0.000 2.085 255 E HA -0.280 4.070 4.350 0.001 0.000 0.194 255 E C 0.931 177.534 176.600 0.004 0.000 0.994 255 E CA 1.376 57.754 56.400 -0.037 0.000 0.801 255 E CB -0.140 29.543 29.700 -0.028 0.000 0.743 255 E HN 0.640 nan 8.360 nan 0.000 0.453 256 Y N 1.619 121.891 120.300 -0.047 0.000 2.145 256 Y HA -0.222 4.328 4.550 0.001 0.000 0.286 256 Y C 1.881 177.765 175.900 -0.027 0.000 1.145 256 Y CA 2.077 60.156 58.100 -0.036 0.000 1.148 256 Y CB -0.065 38.379 38.460 -0.025 0.000 0.981 256 Y HN 0.064 nan 8.280 nan 0.000 0.507 257 D N 0.137 120.599 120.400 0.104 0.000 2.117 257 D HA -0.184 4.456 4.640 0.001 0.000 0.197 257 D C 2.276 178.562 176.300 -0.022 0.000 0.987 257 D CA 1.744 55.771 54.000 0.046 0.000 0.829 257 D CB -0.367 40.487 40.800 0.089 0.000 0.961 257 D HN 0.434 nan 8.370 nan 0.000 0.460 258 I N 0.523 121.075 120.570 -0.030 0.000 2.163 258 I HA -0.258 3.912 4.170 0.001 0.000 0.243 258 I C 2.384 178.450 176.117 -0.086 0.000 1.085 258 I CA 0.829 62.109 61.300 -0.034 0.000 1.347 258 I CB -0.192 37.743 38.000 -0.109 0.000 1.044 258 I HN -0.016 nan 8.210 nan 0.000 0.408 259 L N 0.272 121.397 121.223 -0.163 0.000 2.083 259 L HA -0.202 4.138 4.340 0.001 0.000 0.209 259 L C 2.597 179.326 176.870 -0.236 0.000 1.083 259 L CA 1.018 55.729 54.840 -0.216 0.000 0.752 259 L CB -0.653 41.260 42.059 -0.245 0.000 0.899 259 L HN 0.201 nan 8.230 nan 0.000 0.433 260 K N 0.391 120.627 120.400 -0.273 0.000 2.057 260 K HA -0.174 4.146 4.320 0.001 0.000 0.207 260 K C 2.055 178.596 176.600 -0.099 0.000 1.049 260 K CA 1.233 57.392 56.287 -0.214 0.000 0.931 260 K CB -0.336 32.028 32.500 -0.227 0.000 0.714 260 K HN 0.089 nan 8.250 nan 0.000 0.440 261 K N 0.953 121.328 120.400 -0.041 0.000 2.063 261 K HA -0.074 4.246 4.320 0.001 0.000 0.208 261 K C 2.071 178.678 176.600 0.012 0.000 1.048 261 K CA 0.838 57.165 56.287 0.066 0.000 0.928 261 K CB -0.273 32.332 32.500 0.175 0.000 0.713 261 K HN -0.106 nan 8.250 nan 0.000 0.442 262 V N 0.587 120.386 119.914 -0.190 0.000 2.295 262 V HA -0.236 3.884 4.120 0.001 0.000 0.246 262 V C 2.198 178.128 176.094 -0.272 0.000 1.049 262 V CA 2.140 64.139 62.300 -0.500 0.000 1.024 262 V CB -0.484 31.072 31.823 -0.446 0.000 0.648 262 V HN 0.396 nan 8.190 nan 0.000 0.447 263 E N 0.753 120.849 120.200 -0.174 0.000 2.097 263 E HA -0.248 4.102 4.350 0.001 0.000 0.196 263 E C 2.378 179.004 176.600 0.044 0.000 1.000 263 E CA 1.993 58.350 56.400 -0.071 0.000 0.804 263 E CB -0.264 29.384 29.700 -0.088 0.000 0.740 263 E HN 0.382 nan 8.360 nan 0.000 0.454 264 K N -1.177 119.219 120.400 -0.007 0.000 2.155 264 K HA 0.007 4.327 4.320 0.001 0.000 0.203 264 K C 1.654 178.228 176.600 -0.043 0.000 1.052 264 K CA 1.508 57.772 56.287 -0.039 0.000 0.948 264 K CB -0.818 31.672 32.500 -0.018 0.000 0.728 264 K HN 0.578 nan 8.250 nan 0.000 0.448 265 G N 0.203 109.095 108.800 0.153 0.000 2.205 265 G HA2 -0.284 3.676 3.960 0.001 0.000 0.261 265 G HA3 -0.284 3.676 3.960 0.001 0.000 0.261 265 G C 0.020 175.269 174.900 0.582 0.000 0.980 265 G CA 0.647 46.001 45.100 0.423 0.000 0.632 265 G HN 0.548 nan 8.290 nan 0.000 0.533 266 K N 0.438 121.042 120.400 0.340 0.000 2.322 266 K HA 0.563 4.884 4.320 0.001 0.000 0.283 266 K C -0.002 176.708 176.600 0.183 0.000 1.042 266 K CA -0.157 56.229 56.287 0.165 0.000 0.958 266 K CB 0.511 33.013 32.500 0.003 0.000 0.984 266 K HN 0.617 nan 8.250 nan 0.000 0.473 267 Y N -1.576 118.626 120.300 -0.163 0.000 2.644 267 Y HA 0.705 5.255 4.550 0.001 0.000 0.338 267 Y C -0.550 175.087 175.900 -0.438 0.000 1.119 267 Y CA -1.123 56.710 58.100 -0.446 0.000 1.060 267 Y CB 1.979 39.966 38.460 -0.788 0.000 1.294 267 Y HN 0.455 nan 8.280 nan 0.000 0.472 268 T N 0.547 114.843 114.554 -0.430 0.000 2.853 268 T HA 0.549 4.899 4.350 0.001 0.000 0.311 268 T C -2.204 172.209 174.700 -0.478 0.000 1.307 268 T CA -0.657 61.135 62.100 -0.513 0.000 1.019 268 T CB 0.705 69.409 68.868 -0.274 0.000 1.264 268 T HN 0.471 nan 8.240 nan 0.000 0.497 269 F N 3.055 122.790 119.950 -0.358 0.000 2.329 269 F HA 0.390 4.917 4.527 0.001 0.000 0.362 269 F C 0.634 176.291 175.800 -0.237 0.000 1.113 269 F CA -1.139 56.399 58.000 -0.770 0.000 1.212 269 F CB 0.076 38.512 39.000 -0.940 0.000 1.509 269 F HN 0.486 nan 8.300 nan 0.000 0.546 270 E N 1.693 122.009 120.200 0.193 0.000 2.376 270 E HA 0.410 4.760 4.350 0.001 0.000 0.266 270 E C 0.237 177.006 176.600 0.282 0.000 1.009 270 E CA -0.236 56.294 56.400 0.217 0.000 0.902 270 E CB 0.312 30.129 29.700 0.195 0.000 0.972 270 E HN 0.474 nan 8.360 nan 0.000 0.439 271 L N 3.629 124.949 121.223 0.162 0.000 2.334 271 L HA 0.469 4.810 4.340 0.001 0.000 0.277 271 L C -1.034 175.889 176.870 0.089 0.000 1.075 271 L CA -1.334 53.583 54.840 0.129 0.000 0.804 271 L CB -0.302 41.808 42.059 0.085 0.000 1.174 271 L HN 0.749 nan 8.230 nan 0.000 0.438 272 P HA 0.039 nan 4.420 nan 0.000 0.255 272 P C 1.112 178.440 177.300 0.047 0.000 1.248 272 P CA -0.029 63.104 63.100 0.055 0.000 0.807 272 P CB 0.667 32.381 31.700 0.024 0.000 1.150 273 Q N -0.585 119.249 119.800 0.056 0.000 2.142 273 Q HA -0.190 4.150 4.340 0.001 0.000 0.213 273 Q C 0.937 176.846 176.000 -0.152 0.000 1.004 273 Q CA 1.876 57.653 55.803 -0.043 0.000 0.883 273 Q CB -0.370 28.374 28.738 0.010 0.000 0.939 273 Q HN 0.499 nan 8.270 nan 0.000 0.413 274 W N -0.057 121.215 121.300 -0.047 0.000 3.220 274 W HA 0.175 4.835 4.660 0.000 0.000 0.328 274 W C 1.953 178.418 176.519 -0.089 0.000 1.205 274 W CA -0.520 56.772 57.345 -0.089 0.000 1.773 274 W CB 0.252 29.671 29.460 -0.069 0.000 1.086 274 W HN 0.062 nan 8.180 nan 0.000 0.622 275 K N 1.016 121.485 120.400 0.115 0.000 2.074 275 K HA -0.254 4.067 4.320 0.001 0.000 0.209 275 K C 1.474 178.092 176.600 0.030 0.000 1.048 275 K CA 1.508 57.833 56.287 0.063 0.000 0.926 275 K CB 0.132 32.654 32.500 0.036 0.000 0.713 275 K HN -0.058 nan 8.250 nan 0.000 0.444 276 K N 0.166 120.567 120.400 0.001 0.000 2.418 276 K HA 0.064 4.384 4.320 0.001 0.000 0.195 276 K C -0.157 176.440 176.600 -0.005 0.000 1.035 276 K CA 0.036 56.318 56.287 -0.010 0.000 1.003 276 K CB 0.382 32.864 32.500 -0.030 0.000 0.793 276 K HN -0.065 nan 8.250 nan 0.000 0.494 277 V N 2.274 122.188 119.914 -0.000 0.000 2.555 277 V HA 0.027 4.148 4.120 0.001 0.000 0.286 277 V C 0.450 176.537 176.094 -0.011 0.000 1.044 277 V CA -0.623 61.678 62.300 0.003 0.000 1.026 277 V CB 0.962 32.820 31.823 0.057 0.000 0.981 277 V HN 0.316 nan 8.190 nan 0.000 0.480 278 S N 3.956 119.658 115.700 0.005 0.000 2.573 278 S HA 0.097 4.567 4.470 0.001 0.000 0.277 278 S C 0.979 175.534 174.600 -0.074 0.000 1.346 278 S CA -0.345 57.861 58.200 0.009 0.000 1.034 278 S CB 0.820 64.084 63.200 0.107 0.000 0.879 278 S HN 0.695 nan 8.310 nan 0.000 0.528 279 E N 1.578 121.750 120.200 -0.047 0.000 2.118 279 E HA -0.111 4.239 4.350 0.001 0.000 0.195 279 E C 2.176 178.727 176.600 -0.080 0.000 0.992 279 E CA 1.409 57.764 56.400 -0.077 0.000 0.804 279 E CB -0.788 28.898 29.700 -0.025 0.000 0.741 279 E HN 0.752 nan 8.360 nan 0.000 0.458 280 S N 0.280 115.979 115.700 -0.002 0.000 2.368 280 S HA -0.114 4.356 4.470 0.001 0.000 0.225 280 S C 2.040 176.510 174.600 -0.217 0.000 1.030 280 S CA 1.271 59.515 58.200 0.074 0.000 0.999 280 S CB -0.052 63.318 63.200 0.284 0.000 0.844 280 S HN 0.299 nan 8.310 nan 0.000 0.459 281 A N 1.177 123.634 122.820 -0.606 0.000 1.902 281 A HA -0.053 4.267 4.320 0.001 0.000 0.217 281 A C 2.142 179.285 177.584 -0.736 0.000 1.181 281 A CA 1.592 52.871 52.037 -1.264 0.000 0.623 281 A CB -0.543 17.785 19.000 -1.120 0.000 0.818 281 A HN 0.616 nan 8.150 nan 0.000 0.443 282 K N -0.640 119.438 120.400 -0.537 0.000 2.097 282 K HA -0.170 4.150 4.320 0.001 0.000 0.206 282 K C 1.784 178.226 176.600 -0.263 0.000 1.049 282 K CA 1.462 57.392 56.287 -0.595 0.000 0.933 282 K CB -0.214 31.822 32.500 -0.774 0.000 0.717 282 K HN 0.573 nan 8.250 nan 0.000 0.442 283 D N 0.768 121.060 120.400 -0.180 0.000 2.104 283 D HA -0.187 4.454 4.640 0.001 0.000 0.194 283 D C 1.779 178.019 176.300 -0.099 0.000 0.994 283 D CA 0.788 54.772 54.000 -0.028 0.000 0.830 283 D CB 0.051 40.921 40.800 0.117 0.000 0.959 283 D HN -0.006 nan 8.370 nan 0.000 0.452 284 L N 0.442 121.435 121.223 -0.382 0.000 2.017 284 L HA -0.063 4.278 4.340 0.001 0.000 0.208 284 L C 2.136 178.838 176.870 -0.280 0.000 1.073 284 L CA 1.542 56.045 54.840 -0.561 0.000 0.745 284 L CB -0.642 40.933 42.059 -0.808 0.000 0.894 284 L HN 0.219 nan 8.230 nan 0.000 0.432 285 I N -0.598 119.821 120.570 -0.252 0.000 2.151 285 I HA -0.363 3.808 4.170 0.001 0.000 0.243 285 I C 2.645 178.722 176.117 -0.066 0.000 1.080 285 I CA 1.530 62.755 61.300 -0.126 0.000 1.339 285 I CB -0.423 37.584 38.000 0.012 0.000 1.039 285 I HN 0.281 nan 8.210 nan 0.000 0.409 286 R N 0.861 121.405 120.500 0.074 0.000 2.105 286 R HA -0.177 4.163 4.340 0.001 0.000 0.239 286 R C 2.287 178.630 176.300 0.071 0.000 1.135 286 R CA 1.345 57.534 56.100 0.149 0.000 0.967 286 R CB -0.265 30.150 30.300 0.192 0.000 0.861 286 R HN 0.430 nan 8.270 nan 0.000 0.442 287 K N 0.144 120.561 120.400 0.028 0.000 2.062 287 K HA -0.025 4.296 4.320 0.001 0.000 0.205 287 K C 2.088 178.702 176.600 0.023 0.000 1.051 287 K CA 1.252 57.566 56.287 0.046 0.000 0.941 287 K CB -0.013 32.528 32.500 0.067 0.000 0.719 287 K HN 0.187 nan 8.250 nan 0.000 0.440 288 M N 0.651 120.223 119.600 -0.046 0.000 2.319 288 M HA -0.033 4.448 4.480 0.001 0.000 0.265 288 M C 1.392 177.600 176.300 -0.154 0.000 1.068 288 M CA 1.136 56.396 55.300 -0.066 0.000 1.118 288 M CB 0.034 32.571 32.600 -0.104 0.000 1.395 288 M HN 0.034 nan 8.290 nan 0.000 0.435 289 L N 0.001 121.047 121.223 -0.295 0.000 2.791 289 L HA 0.159 4.499 4.340 0.001 0.000 0.239 289 L C 0.161 177.006 176.870 -0.040 0.000 1.203 289 L CA -0.341 54.130 54.840 -0.615 0.000 1.002 289 L CB -0.502 40.927 42.059 -1.049 0.000 1.295 289 L HN 0.026 nan 8.230 nan 0.000 0.504 290 T N -0.577 114.066 114.554 0.149 0.000 2.853 290 T HA -0.075 4.275 4.350 0.001 0.000 0.298 290 T C 0.792 175.743 174.700 0.419 0.000 0.978 290 T CA 0.301 62.561 62.100 0.267 0.000 1.152 290 T CB 0.860 69.833 68.868 0.176 0.000 0.914 290 T HN 0.174 nan 8.240 nan 0.000 0.539 291 Y N 4.484 124.972 120.300 0.314 0.000 2.163 291 Y HA 0.032 4.582 4.550 0.001 0.000 0.288 291 Y C 1.151 177.103 175.900 0.087 0.000 1.136 291 Y CA 0.964 59.221 58.100 0.261 0.000 1.147 291 Y CB 0.200 38.765 38.460 0.175 0.000 0.987 291 Y HN 0.369 nan 8.280 nan 0.000 0.509 292 V N 3.814 123.851 119.914 0.206 0.000 2.446 292 V HA -0.002 4.119 4.120 0.001 0.000 0.276 292 V C -1.460 174.646 176.094 0.020 0.000 1.030 292 V CA -0.857 61.489 62.300 0.075 0.000 1.033 292 V CB 0.661 32.551 31.823 0.111 0.000 0.993 292 V HN 0.260 nan 8.190 nan 0.000 0.477 293 P HA -0.150 nan 4.420 nan 0.000 0.215 293 P C 1.824 179.127 177.300 0.005 0.000 1.153 293 P CA 1.646 64.724 63.100 -0.036 0.000 0.853 293 P CB 0.084 31.737 31.700 -0.077 0.000 0.788 294 S N -1.782 113.922 115.700 0.006 0.000 2.474 294 S HA -0.074 4.397 4.470 0.001 0.000 0.235 294 S C 1.709 176.332 174.600 0.037 0.000 0.997 294 S CA 1.056 59.267 58.200 0.018 0.000 0.949 294 S CB -1.156 62.053 63.200 0.015 0.000 0.766 294 S HN 0.103 nan 8.310 nan 0.000 0.517 295 M N 0.252 119.882 119.600 0.050 0.000 2.441 295 M HA 0.272 4.752 4.480 0.001 0.000 0.244 295 M C 1.015 177.364 176.300 0.081 0.000 1.122 295 M CA -0.116 55.224 55.300 0.066 0.000 1.041 295 M CB 0.231 32.875 32.600 0.074 0.000 1.438 295 M HN 0.161 nan 8.290 nan 0.000 0.484 296 R N 1.861 122.411 120.500 0.083 0.000 2.543 296 R HA 0.307 4.648 4.340 0.001 0.000 0.277 296 R C -0.399 175.952 176.300 0.085 0.000 1.074 296 R CA -0.216 55.943 56.100 0.098 0.000 1.076 296 R CB 0.722 31.091 30.300 0.116 0.000 0.993 296 R HN 0.185 nan 8.270 nan 0.000 0.459 297 I N 3.231 123.854 120.570 0.089 0.000 2.692 297 I HA -0.055 4.116 4.170 0.001 0.000 0.284 297 I C 0.305 176.477 176.117 0.092 0.000 1.159 297 I CA 0.402 61.756 61.300 0.091 0.000 1.423 297 I CB 0.833 38.893 38.000 0.099 0.000 1.380 297 I HN 0.840 nan 8.210 nan 0.000 0.580 298 S N 5.808 121.564 115.700 0.094 0.000 2.600 298 S HA 0.316 4.787 4.470 0.001 0.000 0.265 298 S C 1.142 175.809 174.600 0.111 0.000 1.325 298 S CA -0.158 58.106 58.200 0.108 0.000 1.002 298 S CB 1.518 64.783 63.200 0.109 0.000 0.921 298 S HN 0.828 nan 8.310 nan 0.000 0.554 299 A N 1.516 124.413 122.820 0.128 0.000 1.902 299 A HA -0.107 4.214 4.320 0.001 0.000 0.217 299 A C 2.267 179.895 177.584 0.074 0.000 1.181 299 A CA 1.789 53.870 52.037 0.073 0.000 0.623 299 A CB -1.008 17.987 19.000 -0.010 0.000 0.818 299 A HN 0.988 nan 8.150 nan 0.000 0.443 300 R N -0.178 120.377 120.500 0.092 0.000 2.091 300 R HA -0.180 4.160 4.340 0.001 0.000 0.238 300 R C 1.220 177.578 176.300 0.096 0.000 1.136 300 R CA 2.105 58.260 56.100 0.091 0.000 0.959 300 R CB -0.358 30.000 30.300 0.096 0.000 0.856 300 R HN 0.429 nan 8.270 nan 0.000 0.437 301 D N -0.210 120.251 120.400 0.102 0.000 2.234 301 D HA -0.002 4.638 4.640 0.001 0.000 0.205 301 D C 1.615 178.002 176.300 0.144 0.000 0.962 301 D CA 1.246 55.312 54.000 0.111 0.000 0.855 301 D CB -0.053 40.809 40.800 0.104 0.000 0.951 301 D HN 0.424 nan 8.370 nan 0.000 0.500 302 A N 0.695 123.595 122.820 0.133 0.000 1.897 302 A HA -0.099 4.222 4.320 0.001 0.000 0.215 302 A C 2.078 179.761 177.584 0.164 0.000 1.181 302 A CA 0.690 52.815 52.037 0.146 0.000 0.620 302 A CB -0.632 18.419 19.000 0.085 0.000 0.821 302 A HN 0.219 nan 8.150 nan 0.000 0.443 303 L N 0.176 121.473 121.223 0.123 0.000 2.079 303 L HA -0.160 4.180 4.340 0.001 0.000 0.210 303 L C 1.562 178.513 176.870 0.135 0.000 1.081 303 L CA 2.533 57.443 54.840 0.116 0.000 0.752 303 L CB -0.481 41.632 42.059 0.090 0.000 0.896 303 L HN 0.420 nan 8.230 nan 0.000 0.433 304 D N -2.077 118.403 120.400 0.133 0.000 2.340 304 D HA -0.097 4.544 4.640 0.001 0.000 0.220 304 D C 0.713 177.095 176.300 0.136 0.000 1.039 304 D CA -0.011 54.056 54.000 0.113 0.000 0.866 304 D CB -0.195 40.655 40.800 0.084 0.000 0.913 304 D HN 0.379 nan 8.370 nan 0.000 0.523 305 H N 1.051 120.185 119.070 0.107 0.000 2.972 305 H HA -0.043 4.513 4.556 0.001 0.000 0.343 305 H C 1.234 176.652 175.328 0.151 0.000 1.054 305 H CA 0.848 56.974 56.048 0.129 0.000 1.412 305 H CB 1.062 30.917 29.762 0.155 0.000 1.385 305 H HN 0.184 nan 8.280 nan 0.000 0.600 306 E N 3.619 123.731 120.200 -0.147 0.000 2.118 306 E HA -0.227 4.123 4.350 0.001 0.000 0.195 306 E C 1.793 178.563 176.600 0.283 0.000 0.992 306 E CA 1.439 57.858 56.400 0.031 0.000 0.804 306 E CB -0.205 29.444 29.700 -0.085 0.000 0.741 306 E HN 0.758 nan 8.360 nan 0.000 0.458 307 W N 0.805 122.334 121.300 0.383 0.000 2.363 307 W HA -0.154 4.506 4.660 0.001 0.000 0.296 307 W C 1.737 178.408 176.519 0.253 0.000 1.212 307 W CA 1.160 58.674 57.345 0.282 0.000 1.260 307 W CB -0.028 29.569 29.460 0.228 0.000 1.131 307 W HN 0.130 nan 8.180 nan 0.000 0.530 308 I N 0.159 120.957 120.570 0.379 0.000 2.233 308 I HA -0.227 3.944 4.170 0.001 0.000 0.243 308 I C 2.237 178.484 176.117 0.217 0.000 1.093 308 I CA 1.371 62.802 61.300 0.219 0.000 1.380 308 I CB -1.574 36.569 38.000 0.237 0.000 1.067 308 I HN 0.088 nan 8.210 nan 0.000 0.413 309 Q N 0.215 120.104 119.800 0.148 0.000 2.311 309 Q HA -0.063 4.277 4.340 0.001 0.000 0.203 309 Q C 1.810 177.787 176.000 -0.039 0.000 0.954 309 Q CA 1.589 57.421 55.803 0.048 0.000 0.885 309 Q CB -0.188 28.576 28.738 0.044 0.000 0.963 309 Q HN 0.650 nan 8.270 nan 0.000 0.471 310 T N -3.397 111.147 114.554 -0.018 0.000 3.085 310 T HA 0.027 4.377 4.350 0.001 0.000 0.264 310 T C 1.489 176.105 174.700 -0.139 0.000 1.019 310 T CA -0.243 61.810 62.100 -0.079 0.000 0.910 310 T CB -0.403 68.456 68.868 -0.014 0.000 1.059 310 T HN 0.301 nan 8.240 nan 0.000 0.542 311 Y N 1.292 121.463 120.300 -0.216 0.000 2.333 311 Y HA 0.318 4.869 4.550 0.001 0.000 0.290 311 Y C 0.761 176.547 175.900 -0.190 0.000 1.144 311 Y CA 0.550 58.467 58.100 -0.305 0.000 1.228 311 Y CB -0.601 37.527 38.460 -0.553 0.000 0.985 311 Y HN 0.246 nan 8.280 nan 0.000 0.542 312 T N 0.253 114.302 114.554 -0.842 0.000 2.916 312 T HA 0.368 4.719 4.350 0.001 0.000 0.305 312 T C -0.095 174.379 174.700 -0.377 0.000 1.119 312 T CA -0.975 60.797 62.100 -0.546 0.000 1.008 312 T CB 1.511 70.018 68.868 -0.600 0.000 1.129 312 T HN 0.121 nan 8.240 nan 0.000 0.480 313 K N 1.727 121.995 120.400 -0.220 0.000 2.373 313 K HA 0.192 4.513 4.320 0.001 0.000 0.202 313 K C 0.487 177.011 176.600 -0.126 0.000 1.025 313 K CA -0.196 55.997 56.287 -0.155 0.000 1.115 313 K CB 0.571 33.009 32.500 -0.103 0.000 0.858 313 K HN 0.644 nan 8.250 nan 0.000 0.525 314 E N 2.348 122.465 120.200 -0.139 0.000 2.415 314 E HA -0.055 4.295 4.350 0.001 0.000 0.263 314 E C -0.499 176.048 176.600 -0.089 0.000 0.995 314 E CA 0.272 56.615 56.400 -0.096 0.000 0.915 314 E CB 0.585 30.234 29.700 -0.086 0.000 0.951 314 E HN 0.000 nan 8.360 nan 0.000 0.449 315 Q N 3.568 123.334 119.800 -0.058 0.000 2.241 315 Q HA 0.281 4.622 4.340 0.001 0.000 0.254 315 Q C -0.009 175.976 176.000 -0.026 0.000 0.917 315 Q CA -0.643 55.134 55.803 -0.044 0.000 0.919 315 Q CB 1.325 30.043 28.738 -0.033 0.000 1.237 315 Q HN 0.568 nan 8.270 nan 0.000 0.434 316 I N 1.393 121.954 120.570 -0.015 0.000 2.683 316 I HA -0.097 4.074 4.170 0.001 0.000 0.286 316 I C 0.881 177.004 176.117 0.010 0.000 1.175 316 I CA 0.523 61.827 61.300 0.008 0.000 1.429 316 I CB 0.445 38.464 38.000 0.031 0.000 1.371 316 I HN 0.407 nan 8.210 nan 0.000 0.569 317 S N 6.205 121.914 115.700 0.014 0.000 2.465 317 S HA 0.466 4.937 4.470 0.001 0.000 0.279 317 S C -0.541 174.073 174.600 0.023 0.000 1.201 317 S CA -0.588 57.620 58.200 0.014 0.000 1.053 317 S CB 0.344 63.552 63.200 0.012 0.000 0.953 317 S HN 0.351 nan 8.310 nan 0.000 0.488 318 V N 6.227 126.153 119.914 0.020 0.000 2.483 318 V HA 0.331 4.451 4.120 0.001 0.000 0.297 318 V C -0.701 175.403 176.094 0.017 0.000 1.027 318 V CA -1.079 61.237 62.300 0.025 0.000 0.855 318 V CB 1.988 33.828 31.823 0.028 0.000 0.995 318 V HN 0.972 nan 8.190 nan 0.000 0.424 319 D N 4.473 124.884 120.400 0.018 0.000 2.345 319 D HA 0.181 4.822 4.640 0.001 0.000 0.247 319 D C 1.306 177.612 176.300 0.010 0.000 1.108 319 D CA -0.402 53.605 54.000 0.013 0.000 0.894 319 D CB 1.841 42.649 40.800 0.013 0.000 1.203 319 D HN 0.131 nan 8.370 nan 0.000 0.430 320 V N 2.883 122.800 119.914 0.006 0.000 2.233 320 V HA -0.269 3.851 4.120 0.001 0.000 0.252 320 V C -0.614 175.481 176.094 0.002 0.000 1.063 320 V CA 2.298 64.599 62.300 0.002 0.000 1.032 320 V CB -1.717 30.108 31.823 0.002 0.000 0.645 320 V HN 0.600 nan 8.190 nan 0.000 0.446 321 P HA -0.154 nan 4.420 nan 0.000 0.216 321 P C 2.008 179.310 177.300 0.002 0.000 1.157 321 P CA 2.226 65.327 63.100 0.002 0.000 0.880 321 P CB -0.152 31.550 31.700 0.004 0.000 0.791 322 S N -0.975 114.730 115.700 0.008 0.000 2.371 322 S HA -0.106 4.365 4.470 0.001 0.000 0.224 322 S C 1.773 176.381 174.600 0.015 0.000 1.029 322 S CA 0.793 59.001 58.200 0.014 0.000 0.978 322 S CB -1.100 62.115 63.200 0.026 0.000 0.833 322 S HN 0.050 nan 8.310 nan 0.000 0.466 323 L N 2.470 123.701 121.223 0.013 0.000 2.017 323 L HA -0.096 4.245 4.340 0.001 0.000 0.208 323 L C 1.930 178.786 176.870 -0.023 0.000 1.073 323 L CA 1.958 56.801 54.840 0.006 0.000 0.745 323 L CB -0.928 41.129 42.059 -0.004 0.000 0.894 323 L HN 0.120 nan 8.230 nan 0.000 0.432 324 D N -0.594 119.791 120.400 -0.025 0.000 2.106 324 D HA -0.272 4.368 4.640 0.001 0.000 0.191 324 D C 2.039 178.323 176.300 -0.028 0.000 0.997 324 D CA 1.507 55.489 54.000 -0.030 0.000 0.834 324 D CB -0.256 40.535 40.800 -0.014 0.000 0.956 324 D HN 0.426 nan 8.370 nan 0.000 0.448 325 N N -0.046 118.643 118.700 -0.019 0.000 2.094 325 N HA -0.160 4.580 4.740 0.001 0.000 0.191 325 N C 1.565 177.052 175.510 -0.038 0.000 1.023 325 N CA 2.114 55.151 53.050 -0.021 0.000 0.857 325 N CB -0.554 37.923 38.487 -0.016 0.000 1.013 325 N HN 0.212 nan 8.380 nan 0.000 0.426 326 A N 0.679 123.474 122.820 -0.042 0.000 1.858 326 A HA -0.068 4.252 4.320 0.001 0.000 0.216 326 A C 2.160 179.693 177.584 -0.085 0.000 1.190 326 A CA 1.273 53.263 52.037 -0.077 0.000 0.617 326 A CB -0.643 18.348 19.000 -0.014 0.000 0.827 326 A HN 0.305 nan 8.150 nan 0.000 0.443 327 I N -0.357 120.167 120.570 -0.077 0.000 2.226 327 I HA -0.205 3.965 4.170 0.001 0.000 0.245 327 I C 2.438 178.535 176.117 -0.034 0.000 1.100 327 I CA 1.211 62.443 61.300 -0.114 0.000 1.374 327 I CB -1.472 36.366 38.000 -0.271 0.000 1.057 327 I HN 0.379 nan 8.210 nan 0.000 0.413 328 L N 1.629 122.839 121.223 -0.021 0.000 1.971 328 L HA -0.259 4.082 4.340 0.001 0.000 0.215 328 L C 2.228 179.109 176.870 0.018 0.000 1.072 328 L CA 2.036 56.883 54.840 0.011 0.000 0.758 328 L CB -0.947 41.113 42.059 0.002 0.000 0.889 328 L HN 0.223 nan 8.230 nan 0.000 0.433 329 N N -0.142 118.552 118.700 -0.010 0.000 2.120 329 N HA -0.176 4.564 4.740 0.001 0.000 0.188 329 N C 1.986 177.504 175.510 0.014 0.000 1.024 329 N CA 2.015 55.062 53.050 -0.006 0.000 0.852 329 N CB -0.408 38.045 38.487 -0.057 0.000 1.003 329 N HN 0.448 nan 8.380 nan 0.000 0.424 330 I N 1.516 122.070 120.570 -0.026 0.000 2.163 330 I HA -0.278 3.892 4.170 0.001 0.000 0.243 330 I C 2.417 178.591 176.117 0.095 0.000 1.085 330 I CA 1.234 62.531 61.300 -0.005 0.000 1.347 330 I CB -0.171 37.829 38.000 -0.001 0.000 1.044 330 I HN 0.245 nan 8.210 nan 0.000 0.408 331 R N 0.884 121.455 120.500 0.119 0.000 2.236 331 R HA -0.093 4.247 4.340 0.001 0.000 0.208 331 R C 1.534 177.904 176.300 0.116 0.000 1.036 331 R CA 0.832 57.019 56.100 0.144 0.000 1.001 331 R CB -0.377 30.033 30.300 0.183 0.000 0.896 331 R HN 0.455 nan 8.270 nan 0.000 0.464 332 Q N -0.126 119.741 119.800 0.112 0.000 2.403 332 Q HA 0.039 4.379 4.340 0.001 0.000 0.203 332 Q C 0.652 176.717 176.000 0.109 0.000 0.932 332 Q CA 0.125 55.981 55.803 0.088 0.000 0.945 332 Q CB 0.166 28.942 28.738 0.063 0.000 1.045 332 Q HN 0.297 nan 8.270 nan 0.000 0.511 333 F N 1.889 121.829 119.950 -0.016 0.000 2.512 333 F HA 0.018 4.545 4.527 0.000 0.000 0.296 333 F C 1.372 177.147 175.800 -0.042 0.000 1.110 333 F CA 0.487 58.468 58.000 -0.032 0.000 1.446 333 F CB -0.125 38.847 39.000 -0.047 0.000 1.092 333 F HN 0.001 nan 8.300 nan 0.000 0.554 334 Q N 0.875 120.696 119.800 0.035 0.000 2.308 334 Q HA 0.324 4.665 4.340 0.001 0.000 0.313 334 Q C 1.312 177.237 176.000 -0.124 0.000 1.075 334 Q CA 0.705 56.486 55.803 -0.036 0.000 0.995 334 Q CB -1.135 27.601 28.738 -0.003 0.000 1.107 334 Q HN 1.127 nan 8.270 nan 0.000 0.380 335 G N 1.448 110.165 108.800 -0.139 0.000 2.194 335 G HA2 -0.191 3.769 3.960 0.001 0.000 0.236 335 G HA3 -0.191 3.769 3.960 0.001 0.000 0.236 335 G C 0.605 175.397 174.900 -0.180 0.000 0.987 335 G CA 0.242 45.264 45.100 -0.130 0.000 0.635 335 G HN 1.412 nan 8.290 nan 0.000 0.520 336 T N 2.384 116.746 114.554 -0.320 0.000 2.908 336 T HA 0.421 4.772 4.350 0.001 0.000 0.301 336 T C 0.887 175.483 174.700 -0.173 0.000 1.019 336 T CA 0.918 62.807 62.100 -0.352 0.000 1.152 336 T CB 1.026 69.440 68.868 -0.756 0.000 0.966 336 T HN 0.827 nan 8.240 nan 0.000 0.540 337 Q N 3.094 122.833 119.800 -0.101 0.000 2.407 337 Q HA 0.364 4.704 4.340 0.001 0.000 0.214 337 Q C 1.065 177.109 176.000 0.074 0.000 1.043 337 Q CA -0.547 55.244 55.803 -0.019 0.000 0.983 337 Q CB 0.680 29.399 28.738 -0.032 0.000 1.211 337 Q HN 0.196 nan 8.270 nan 0.000 0.564 338 K N -0.098 120.381 120.400 0.132 0.000 2.167 338 K HA -0.031 4.289 4.320 0.001 0.000 0.203 338 K C 1.654 178.520 176.600 0.444 0.000 1.052 338 K CA 0.630 57.077 56.287 0.267 0.000 0.956 338 K CB -0.342 32.225 32.500 0.112 0.000 0.735 338 K HN 0.637 nan 8.250 nan 0.000 0.451 339 L N 1.153 122.579 121.223 0.338 0.000 2.056 339 L HA -0.032 4.309 4.340 0.001 0.000 0.207 339 L C 2.140 179.132 176.870 0.204 0.000 1.078 339 L CA 1.799 56.845 54.840 0.344 0.000 0.749 339 L CB -0.743 41.478 42.059 0.270 0.000 0.901 339 L HN 0.090 nan 8.230 nan 0.000 0.433 340 A N -0.846 122.044 122.820 0.115 0.000 1.930 340 A HA -0.268 4.052 4.320 0.001 0.000 0.217 340 A C 2.313 180.025 177.584 0.214 0.000 1.175 340 A CA 1.672 53.739 52.037 0.050 0.000 0.627 340 A CB -0.736 18.241 19.000 -0.038 0.000 0.815 340 A HN 0.689 nan 8.150 nan 0.000 0.443 341 Q N -0.283 119.715 119.800 0.329 0.000 2.061 341 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 341 Q C 2.107 178.495 176.000 0.646 0.000 0.984 341 Q CA 1.981 58.133 55.803 0.582 0.000 0.846 341 Q CB -0.390 28.692 28.738 0.574 0.000 0.902 341 Q HN 0.549 nan 8.270 nan 0.000 0.421 342 A N 0.733 123.916 122.820 0.606 0.000 1.898 342 A HA -0.009 4.311 4.320 0.001 0.000 0.216 342 A C 2.307 180.303 177.584 0.687 0.000 1.181 342 A CA 1.475 53.885 52.037 0.621 0.000 0.620 342 A CB -0.993 18.350 19.000 0.570 0.000 0.819 342 A HN 0.591 nan 8.150 nan 0.000 0.442 343 A N 0.195 123.284 122.820 0.448 0.000 1.851 343 A HA -0.114 4.206 4.320 0.001 0.000 0.216 343 A C 2.151 179.894 177.584 0.266 0.000 1.195 343 A CA 1.633 53.833 52.037 0.271 0.000 0.622 343 A CB -0.877 18.101 19.000 -0.037 0.000 0.831 343 A HN 0.473 nan 8.150 nan 0.000 0.444 344 L N -1.184 120.171 121.223 0.220 0.000 2.043 344 L HA -0.232 4.108 4.340 0.001 0.000 0.212 344 L C 2.591 179.516 176.870 0.092 0.000 1.075 344 L CA 1.482 56.431 54.840 0.182 0.000 0.752 344 L CB -0.623 41.620 42.059 0.306 0.000 0.891 344 L HN 0.467 nan 8.230 nan 0.000 0.432 345 L N -1.339 119.946 121.223 0.103 0.000 2.093 345 L HA -0.234 4.106 4.340 0.001 0.000 0.208 345 L C 2.457 179.273 176.870 -0.091 0.000 1.085 345 L CA 1.533 56.308 54.840 -0.108 0.000 0.755 345 L CB -0.637 41.290 42.059 -0.220 0.000 0.904 345 L HN 0.197 nan 8.230 nan 0.000 0.435 346 Y N -0.251 119.821 120.300 -0.379 0.000 2.145 346 Y HA -0.284 4.266 4.550 0.001 0.000 0.286 346 Y C 2.343 178.035 175.900 -0.347 0.000 1.145 346 Y CA 2.233 59.804 58.100 -0.882 0.000 1.148 346 Y CB -0.356 37.503 38.460 -1.001 0.000 0.981 346 Y HN 0.193 nan 8.280 nan 0.000 0.507 347 M N -0.526 118.884 119.600 -0.316 0.000 2.086 347 M HA -0.135 4.346 4.480 0.001 0.000 0.261 347 M C 2.449 178.596 176.300 -0.255 0.000 1.067 347 M CA 1.881 57.000 55.300 -0.301 0.000 1.116 347 M CB -0.926 31.634 32.600 -0.066 0.000 1.348 347 M HN 0.426 nan 8.290 nan 0.000 0.407 348 G N -0.352 108.342 108.800 -0.176 0.000 2.408 348 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 348 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 348 G C 1.636 176.453 174.900 -0.139 0.000 1.150 348 G CA 1.193 46.202 45.100 -0.152 0.000 0.776 348 G HN 0.560 nan 8.290 nan 0.000 0.542 349 S N -0.715 114.899 115.700 -0.143 0.000 2.478 349 S HA 0.194 4.664 4.470 0.001 0.000 0.222 349 S C 1.858 176.466 174.600 0.013 0.000 1.008 349 S CA 0.654 58.832 58.200 -0.036 0.000 0.928 349 S CB 0.213 63.429 63.200 0.027 0.000 0.781 349 S HN 0.161 nan 8.310 nan 0.000 0.518 350 K N -0.162 120.128 120.400 -0.183 0.000 2.425 350 K HA 0.418 4.738 4.320 0.001 0.000 0.201 350 K C 0.056 176.373 176.600 -0.472 0.000 1.128 350 K CA 0.126 56.273 56.287 -0.233 0.000 1.000 350 K CB 0.412 32.669 32.500 -0.404 0.000 0.961 350 K HN 0.279 nan 8.250 nan 0.000 0.555 351 L N 1.300 122.282 121.223 -0.401 0.000 3.184 351 L HA 0.155 4.495 4.340 0.001 0.000 0.283 351 L C 0.045 176.804 176.870 -0.185 0.000 1.218 351 L CA 0.329 54.957 54.840 -0.353 0.000 1.028 351 L CB 0.547 42.372 42.059 -0.389 0.000 1.400 351 L HN 0.006 nan 8.230 nan 0.000 0.591 352 T N -2.627 111.862 114.554 -0.108 0.000 2.807 352 T HA 0.655 5.006 4.350 0.001 0.000 0.279 352 T C 0.342 175.065 174.700 0.039 0.000 0.993 352 T CA -0.472 61.607 62.100 -0.034 0.000 0.970 352 T CB 2.070 70.920 68.868 -0.031 0.000 0.950 352 T HN 0.136 nan 8.240 nan 0.000 0.441 353 S N 2.416 118.144 115.700 0.045 0.000 2.655 353 S HA 0.192 4.663 4.470 0.001 0.000 0.265 353 S C 1.509 176.169 174.600 0.100 0.000 1.240 353 S CA -0.211 58.040 58.200 0.085 0.000 0.986 353 S CB 1.090 64.328 63.200 0.063 0.000 0.985 353 S HN 0.951 nan 8.310 nan 0.000 0.562 354 Q N 0.334 120.202 119.800 0.115 0.000 2.119 354 Q HA -0.079 4.261 4.340 0.001 0.000 0.201 354 Q C 1.390 177.447 176.000 0.094 0.000 0.972 354 Q CA 2.089 57.963 55.803 0.118 0.000 0.847 354 Q CB -0.768 28.043 28.738 0.121 0.000 0.903 354 Q HN 0.822 nan 8.270 nan 0.000 0.433 355 D N 0.482 120.929 120.400 0.077 0.000 2.117 355 D HA -0.176 4.464 4.640 0.001 0.000 0.197 355 D C 1.503 177.835 176.300 0.053 0.000 0.987 355 D CA 1.428 55.465 54.000 0.061 0.000 0.829 355 D CB 0.006 40.836 40.800 0.051 0.000 0.961 355 D HN 0.512 nan 8.370 nan 0.000 0.460 356 E N -1.037 119.192 120.200 0.048 0.000 2.204 356 E HA -0.087 4.263 4.350 0.001 0.000 0.194 356 E C 1.232 177.855 176.600 0.039 0.000 0.989 356 E CA 1.416 57.836 56.400 0.034 0.000 0.824 356 E CB 0.050 29.762 29.700 0.021 0.000 0.756 356 E HN 0.423 nan 8.360 nan 0.000 0.477 357 T N -2.260 112.332 114.554 0.064 0.000 3.129 357 T HA 0.247 4.597 4.350 0.001 0.000 0.267 357 T C 1.164 175.927 174.700 0.105 0.000 1.018 357 T CA -0.496 61.649 62.100 0.076 0.000 0.903 357 T CB 0.369 69.297 68.868 0.100 0.000 1.067 357 T HN -0.077 nan 8.240 nan 0.000 0.549 358 K N 1.478 121.932 120.400 0.091 0.000 2.020 358 K HA -0.186 4.135 4.320 0.001 0.000 0.212 358 K C 1.987 178.650 176.600 0.105 0.000 1.050 358 K CA 2.065 58.410 56.287 0.097 0.000 0.929 358 K CB -0.063 32.482 32.500 0.075 0.000 0.714 358 K HN 0.360 nan 8.250 nan 0.000 0.443 359 E N 0.773 121.025 120.200 0.086 0.000 2.106 359 E HA -0.128 4.223 4.350 0.001 0.000 0.192 359 E C 1.969 178.644 176.600 0.125 0.000 0.984 359 E CA 0.892 57.344 56.400 0.088 0.000 0.806 359 E CB -0.134 29.603 29.700 0.062 0.000 0.750 359 E HN 0.225 nan 8.360 nan 0.000 0.458 360 L N 0.251 121.556 121.223 0.136 0.000 2.093 360 L HA -0.133 4.207 4.340 0.001 0.000 0.208 360 L C 2.276 179.326 176.870 0.300 0.000 1.085 360 L CA 1.367 56.345 54.840 0.229 0.000 0.755 360 L CB -0.716 41.417 42.059 0.124 0.000 0.904 360 L HN 0.143 nan 8.230 nan 0.000 0.435 361 T N 0.147 114.844 114.554 0.238 0.000 2.746 361 T HA -0.190 4.161 4.350 0.001 0.000 0.267 361 T C 2.080 176.880 174.700 0.167 0.000 1.039 361 T CA 1.408 63.659 62.100 0.252 0.000 1.142 361 T CB -0.282 68.731 68.868 0.241 0.000 0.866 361 T HN 0.445 nan 8.240 nan 0.000 0.444 362 A N 1.065 123.993 122.820 0.179 0.000 1.902 362 A HA -0.041 4.279 4.320 0.001 0.000 0.217 362 A C 2.290 179.950 177.584 0.127 0.000 1.181 362 A CA 1.289 53.426 52.037 0.167 0.000 0.623 362 A CB -0.801 18.274 19.000 0.125 0.000 0.818 362 A HN 0.526 nan 8.150 nan 0.000 0.443 363 I N -2.034 118.613 120.570 0.129 0.000 2.179 363 I HA -0.230 3.940 4.170 0.001 0.000 0.242 363 I C 2.319 178.401 176.117 -0.060 0.000 1.088 363 I CA 1.550 62.904 61.300 0.089 0.000 1.357 363 I CB -0.361 37.767 38.000 0.212 0.000 1.051 363 I HN 0.441 nan 8.210 nan 0.000 0.409 364 F N 1.484 121.242 119.950 -0.320 0.000 2.065 364 F HA -0.328 4.200 4.527 0.001 0.000 0.298 364 F C 2.777 178.371 175.800 -0.343 0.000 1.112 364 F CA 1.998 59.624 58.000 -0.622 0.000 1.212 364 F CB -0.415 38.233 39.000 -0.587 0.000 0.975 364 F HN 0.134 nan 8.300 nan 0.000 0.476 365 H N 0.178 119.269 119.070 0.036 0.000 2.389 365 H HA -0.137 4.419 4.556 0.000 0.000 0.299 365 H C 2.276 177.537 175.328 -0.111 0.000 1.081 365 H CA 1.602 57.626 56.048 -0.040 0.000 1.345 365 H CB -0.616 29.176 29.762 0.049 0.000 1.393 365 H HN 0.354 nan 8.280 nan 0.000 0.520 366 K N 0.636 121.050 120.400 0.023 0.000 2.063 366 K HA -0.114 4.206 4.320 0.001 0.000 0.208 366 K C 2.117 178.665 176.600 -0.087 0.000 1.048 366 K CA 1.284 57.558 56.287 -0.022 0.000 0.928 366 K CB -0.000 32.495 32.500 -0.008 0.000 0.713 366 K HN 0.146 nan 8.250 nan 0.000 0.442 367 M N 0.724 120.220 119.600 -0.173 0.000 2.319 367 M HA -0.084 4.397 4.480 0.001 0.000 0.265 367 M C 0.355 176.511 176.300 -0.240 0.000 1.068 367 M CA 0.665 55.841 55.300 -0.205 0.000 1.118 367 M CB 0.001 32.442 32.600 -0.265 0.000 1.395 367 M HN 0.040 nan 8.290 nan 0.000 0.435 368 D N 1.547 121.752 120.400 -0.325 0.000 2.545 368 D HA 0.005 4.645 4.640 0.001 0.000 0.227 368 D C 0.939 177.170 176.300 -0.115 0.000 1.150 368 D CA 0.252 54.083 54.000 -0.282 0.000 1.046 368 D CB 0.351 40.924 40.800 -0.379 0.000 1.098 368 D HN -0.058 nan 8.370 nan 0.000 0.502 369 K N 1.724 122.075 120.400 -0.081 0.000 2.074 369 K HA -0.168 4.153 4.320 0.001 0.000 0.209 369 K C 1.385 177.977 176.600 -0.014 0.000 1.048 369 K CA 1.083 57.347 56.287 -0.038 0.000 0.926 369 K CB -0.326 32.160 32.500 -0.023 0.000 0.713 369 K HN 0.507 nan 8.250 nan 0.000 0.444 370 N N -0.371 118.329 118.700 -0.001 0.000 2.398 370 N HA -0.008 4.732 4.740 0.001 0.000 0.188 370 N C 0.913 176.445 175.510 0.038 0.000 1.122 370 N CA 0.945 54.010 53.050 0.025 0.000 0.866 370 N CB 0.003 38.515 38.487 0.042 0.000 0.970 370 N HN 0.217 nan 8.380 nan 0.000 0.462 371 G N 1.596 110.411 108.800 0.025 0.000 2.179 371 G HA2 -0.321 3.639 3.960 0.001 0.000 0.257 371 G HA3 -0.321 3.639 3.960 0.001 0.000 0.257 371 G C 0.224 175.187 174.900 0.105 0.000 1.010 371 G CA 0.609 45.740 45.100 0.052 0.000 0.736 371 G HN 0.676 nan 8.290 nan 0.000 0.513 372 D N -0.628 119.839 120.400 0.110 0.000 2.328 372 D HA 0.354 4.994 4.640 0.001 0.000 0.226 372 D C 1.779 178.244 176.300 0.275 0.000 1.066 372 D CA 0.441 54.552 54.000 0.184 0.000 0.861 372 D CB -0.587 40.295 40.800 0.137 0.000 0.912 372 D HN 1.516 nan 8.370 nan 0.000 0.521 373 G N -0.215 108.686 108.800 0.167 0.000 2.148 373 G HA2 -0.296 3.664 3.960 0.001 0.000 0.254 373 G HA3 -0.296 3.664 3.960 0.001 0.000 0.254 373 G C -0.028 174.984 174.900 0.188 0.000 0.981 373 G CA 0.251 45.384 45.100 0.056 0.000 0.670 373 G HN 0.506 nan 8.290 nan 0.000 0.528 374 Q N -0.999 118.887 119.800 0.142 0.000 2.394 374 Q HA 0.711 5.051 4.340 0.001 0.000 0.273 374 Q C -0.269 175.747 176.000 0.027 0.000 1.089 374 Q CA -0.901 55.009 55.803 0.177 0.000 0.812 374 Q CB 2.021 30.810 28.738 0.085 0.000 1.353 374 Q HN 0.266 nan 8.270 nan 0.000 0.438 375 L N 2.800 124.066 121.223 0.071 0.000 2.272 375 L HA 0.357 4.698 4.340 0.001 0.000 0.289 375 L C -0.352 176.632 176.870 0.190 0.000 1.032 375 L CA -0.745 54.090 54.840 -0.008 0.000 0.810 375 L CB 0.670 42.667 42.059 -0.104 0.000 1.205 375 L HN 0.691 nan 8.230 nan 0.000 0.422 376 D N 1.773 122.283 120.400 0.184 0.000 2.478 376 D HA 0.199 4.839 4.640 0.001 0.000 0.263 376 D C 0.979 177.329 176.300 0.083 0.000 1.153 376 D CA -0.824 53.298 54.000 0.204 0.000 1.038 376 D CB 0.899 41.868 40.800 0.282 0.000 1.120 376 D HN 0.298 nan 8.370 nan 0.000 0.564 377 R N -0.187 120.332 120.500 0.031 0.000 2.094 377 R HA -0.227 4.114 4.340 0.001 0.000 0.239 377 R C 1.997 178.316 176.300 0.031 0.000 1.137 377 R CA 2.029 58.138 56.100 0.015 0.000 0.943 377 R CB -0.770 29.517 30.300 -0.021 0.000 0.850 377 R HN 0.577 nan 8.270 nan 0.000 0.433 378 A N 0.821 123.662 122.820 0.035 0.000 1.908 378 A HA -0.218 4.102 4.320 0.001 0.000 0.218 378 A C 1.949 179.556 177.584 0.039 0.000 1.181 378 A CA 1.866 53.924 52.037 0.035 0.000 0.627 378 A CB -0.517 18.505 19.000 0.037 0.000 0.818 378 A HN 0.569 nan 8.150 nan 0.000 0.445 379 E N -0.318 119.904 120.200 0.036 0.000 2.106 379 E HA -0.117 4.233 4.350 0.001 0.000 0.192 379 E C 1.924 178.543 176.600 0.031 0.000 0.984 379 E CA 1.043 57.451 56.400 0.013 0.000 0.806 379 E CB -0.260 29.427 29.700 -0.022 0.000 0.750 379 E HN 0.639 nan 8.360 nan 0.000 0.458 380 L N 0.580 121.843 121.223 0.067 0.000 2.093 380 L HA -0.162 4.178 4.340 0.001 0.000 0.208 380 L C 2.369 179.373 176.870 0.223 0.000 1.085 380 L CA 0.778 55.705 54.840 0.145 0.000 0.755 380 L CB -0.297 41.860 42.059 0.163 0.000 0.904 380 L HN 0.169 nan 8.230 nan 0.000 0.435 381 I N -0.146 120.501 120.570 0.130 0.000 2.179 381 I HA -0.286 3.884 4.170 0.001 0.000 0.242 381 I C 2.633 178.832 176.117 0.137 0.000 1.088 381 I CA 1.256 62.624 61.300 0.113 0.000 1.357 381 I CB -0.180 37.846 38.000 0.044 0.000 1.051 381 I HN 0.246 nan 8.210 nan 0.000 0.409 382 E N 1.377 121.630 120.200 0.088 0.000 2.110 382 E HA -0.156 4.194 4.350 0.001 0.000 0.193 382 E C 2.102 178.741 176.600 0.065 0.000 0.988 382 E CA 1.537 57.975 56.400 0.063 0.000 0.804 382 E CB -0.525 29.193 29.700 0.030 0.000 0.745 382 E HN 0.420 nan 8.360 nan 0.000 0.458 383 G N -0.755 108.086 108.800 0.069 0.000 2.446 383 G HA2 -0.297 3.663 3.960 0.001 0.000 0.217 383 G HA3 -0.297 3.663 3.960 0.001 0.000 0.217 383 G C 1.323 176.228 174.900 0.007 0.000 1.168 383 G CA 1.067 46.178 45.100 0.020 0.000 0.771 383 G HN 0.343 nan 8.290 nan 0.000 0.551 384 Y N 0.884 121.199 120.300 0.025 0.000 2.181 384 Y HA -0.068 4.482 4.550 0.000 0.000 0.288 384 Y C 2.942 178.855 175.900 0.022 0.000 1.146 384 Y CA 1.787 59.904 58.100 0.029 0.000 1.164 384 Y CB -0.041 38.438 38.460 0.031 0.000 0.982 384 Y HN 0.118 nan 8.280 nan 0.000 0.515 385 K N -0.426 120.077 120.400 0.171 0.000 2.148 385 K HA -0.207 4.114 4.320 0.001 0.000 0.204 385 K C 1.980 178.614 176.600 0.056 0.000 1.050 385 K CA 1.452 57.798 56.287 0.098 0.000 0.942 385 K CB -0.053 32.491 32.500 0.073 0.000 0.724 385 K HN 0.133 nan 8.250 nan 0.000 0.446 386 E N 1.290 121.513 120.200 0.039 0.000 2.047 386 E HA -0.134 4.216 4.350 0.001 0.000 0.191 386 E C 1.756 178.360 176.600 0.005 0.000 0.987 386 E CA 0.894 57.302 56.400 0.014 0.000 0.799 386 E CB -0.234 29.466 29.700 0.001 0.000 0.752 386 E HN 0.139 nan 8.360 nan 0.000 0.449 387 L N 0.069 121.287 121.223 -0.008 0.000 1.989 387 L HA -0.214 4.127 4.340 0.001 0.000 0.211 387 L C 2.331 179.205 176.870 0.007 0.000 1.071 387 L CA 2.016 56.844 54.840 -0.019 0.000 0.749 387 L CB -0.485 41.532 42.059 -0.071 0.000 0.890 387 L HN 0.375 nan 8.230 nan 0.000 0.431 388 M N -0.896 118.723 119.600 0.032 0.000 2.082 388 M HA -0.288 4.192 4.480 0.001 0.000 0.258 388 M C 2.337 178.653 176.300 0.026 0.000 1.069 388 M CA 1.839 57.163 55.300 0.040 0.000 1.102 388 M CB -0.523 32.113 32.600 0.060 0.000 1.336 388 M HN 0.253 nan 8.290 nan 0.000 0.404 389 R N -0.057 120.457 120.500 0.023 0.000 2.070 389 R HA -0.106 4.234 4.340 0.001 0.000 0.233 389 R C 2.184 178.491 176.300 0.011 0.000 1.137 389 R CA 1.677 57.786 56.100 0.016 0.000 0.945 389 R CB -0.382 29.926 30.300 0.014 0.000 0.845 389 R HN 0.378 nan 8.270 nan 0.000 0.430 390 M N 0.448 120.053 119.600 0.008 0.000 2.108 390 M HA -0.209 4.272 4.480 0.001 0.000 0.261 390 M C 1.904 178.207 176.300 0.006 0.000 1.066 390 M CA 1.756 57.059 55.300 0.004 0.000 1.107 390 M CB -0.086 32.515 32.600 0.001 0.000 1.356 390 M HN -0.016 nan 8.290 nan 0.000 0.406 391 K N -0.226 120.178 120.400 0.007 0.000 2.504 391 K HA 0.055 4.376 4.320 0.001 0.000 0.195 391 K C 0.805 177.411 176.600 0.010 0.000 1.036 391 K CA 0.594 56.886 56.287 0.009 0.000 0.984 391 K CB -0.127 32.380 32.500 0.011 0.000 0.788 391 K HN 0.569 nan 8.250 nan 0.000 0.488 392 G N 2.093 110.900 108.800 0.011 0.000 2.225 392 G HA2 -0.288 3.672 3.960 0.001 0.000 0.264 392 G HA3 -0.288 3.672 3.960 0.001 0.000 0.264 392 G C -0.435 174.473 174.900 0.013 0.000 1.060 392 G CA -0.014 45.092 45.100 0.010 0.000 0.833 392 G HN 0.331 nan 8.290 nan 0.000 0.498 393 Q N -0.475 119.335 119.800 0.017 0.000 2.221 393 Q HA 0.434 4.774 4.340 0.001 0.000 0.242 393 Q C -0.537 175.474 176.000 0.019 0.000 0.940 393 Q CA -0.757 55.058 55.803 0.020 0.000 0.896 393 Q CB 1.181 29.935 28.738 0.027 0.000 1.226 393 Q HN 0.234 nan 8.270 nan 0.000 0.463 394 D N 0.178 120.589 120.400 0.017 0.000 2.347 394 D HA 0.236 4.876 4.640 0.001 0.000 0.235 394 D C 0.125 176.437 176.300 0.019 0.000 1.149 394 D CA -0.102 53.908 54.000 0.016 0.000 0.850 394 D CB 1.423 42.230 40.800 0.011 0.000 1.061 394 D HN 0.619 nan 8.370 nan 0.000 0.487 395 A N 2.852 125.684 122.820 0.020 0.000 1.969 395 A HA -0.096 4.225 4.320 0.001 0.000 0.218 395 A C 2.074 179.668 177.584 0.017 0.000 1.169 395 A CA 0.968 53.019 52.037 0.023 0.000 0.635 395 A CB -0.058 18.958 19.000 0.026 0.000 0.810 395 A HN 0.525 nan 8.150 nan 0.000 0.445 396 S N -0.781 114.927 115.700 0.012 0.000 2.515 396 S HA -0.077 4.393 4.470 0.001 0.000 0.231 396 S C 1.744 176.348 174.600 0.005 0.000 0.987 396 S CA 1.216 59.420 58.200 0.008 0.000 0.936 396 S CB -0.260 62.944 63.200 0.006 0.000 0.766 396 S HN 0.652 nan 8.310 nan 0.000 0.528 397 M N 1.281 120.886 119.600 0.007 0.000 2.202 397 M HA 0.007 4.487 4.480 0.001 0.000 0.262 397 M C 0.179 176.480 176.300 0.002 0.000 1.063 397 M CA 1.424 56.727 55.300 0.005 0.000 1.097 397 M CB -0.345 32.260 32.600 0.009 0.000 1.382 397 M HN 0.142 nan 8.290 nan 0.000 0.413 398 L N 1.282 122.508 121.223 0.004 0.000 2.379 398 L HA 0.294 4.634 4.340 0.001 0.000 0.269 398 L C 0.039 176.904 176.870 -0.007 0.000 1.084 398 L CA -1.164 53.674 54.840 -0.003 0.000 0.802 398 L CB 0.579 42.640 42.059 0.003 0.000 1.175 398 L HN 0.273 nan 8.230 nan 0.000 0.448 399 D N 1.129 121.519 120.400 -0.017 0.000 2.363 399 D HA 0.097 4.737 4.640 0.001 0.000 0.240 399 D C 0.935 177.228 176.300 -0.011 0.000 1.236 399 D CA 0.049 54.039 54.000 -0.017 0.000 0.927 399 D CB 0.841 41.625 40.800 -0.026 0.000 1.150 399 D HN 0.555 nan 8.370 nan 0.000 0.458 400 A N 0.350 123.165 122.820 -0.008 0.000 1.940 400 A HA -0.120 4.200 4.320 0.001 0.000 0.219 400 A C 1.888 179.471 177.584 -0.002 0.000 1.176 400 A CA 2.027 54.063 52.037 -0.003 0.000 0.631 400 A CB -0.872 18.127 19.000 -0.001 0.000 0.814 400 A HN 0.677 nan 8.150 nan 0.000 0.446 401 S N -1.431 114.266 115.700 -0.005 0.000 2.575 401 S HA 0.571 5.042 4.470 0.001 0.000 0.237 401 S C 1.453 176.057 174.600 0.007 0.000 0.975 401 S CA 0.548 58.749 58.200 0.003 0.000 0.960 401 S CB 0.206 63.411 63.200 0.008 0.000 0.822 401 S HN 0.704 nan 8.310 nan 0.000 0.472 402 A N 1.866 124.680 122.820 -0.010 0.000 1.902 402 A HA 0.062 4.382 4.320 0.001 0.000 0.217 402 A C 2.169 179.747 177.584 -0.010 0.000 1.181 402 A CA 1.750 53.777 52.037 -0.018 0.000 0.623 402 A CB -1.054 17.930 19.000 -0.028 0.000 0.818 402 A HN 0.469 nan 8.150 nan 0.000 0.443 403 V N 0.226 120.120 119.914 -0.033 0.000 2.343 403 V HA -0.270 3.851 4.120 0.001 0.000 0.247 403 V C 2.362 178.385 176.094 -0.120 0.000 1.051 403 V CA 2.218 64.459 62.300 -0.099 0.000 1.036 403 V CB -0.995 30.801 31.823 -0.045 0.000 0.654 403 V HN 0.627 nan 8.190 nan 0.000 0.451 404 E N -0.345 119.827 120.200 -0.046 0.000 2.085 404 E HA -0.301 4.049 4.350 0.001 0.000 0.194 404 E C 2.127 178.706 176.600 -0.034 0.000 0.994 404 E CA 1.785 58.162 56.400 -0.037 0.000 0.801 404 E CB -0.292 29.403 29.700 -0.008 0.000 0.743 404 E HN 0.816 nan 8.360 nan 0.000 0.453 405 H N 0.877 119.894 119.070 -0.089 0.000 2.321 405 H HA -0.152 4.405 4.556 0.001 0.000 0.300 405 H C 2.151 177.415 175.328 -0.106 0.000 1.087 405 H CA 2.051 58.052 56.048 -0.079 0.000 1.319 405 H CB 0.094 29.819 29.762 -0.061 0.000 1.379 405 H HN 0.037 nan 8.280 nan 0.000 0.501 406 E N 0.111 120.286 120.200 -0.041 0.000 2.085 406 E HA -0.143 4.208 4.350 0.001 0.000 0.194 406 E C 2.219 178.660 176.600 -0.264 0.000 0.994 406 E CA 1.770 58.065 56.400 -0.176 0.000 0.801 406 E CB -0.501 29.011 29.700 -0.313 0.000 0.743 406 E HN 0.388 nan 8.360 nan 0.000 0.453 407 V N 1.185 120.927 119.914 -0.287 0.000 2.453 407 V HA -0.186 3.935 4.120 0.001 0.000 0.247 407 V C 1.727 177.755 176.094 -0.111 0.000 1.048 407 V CA 1.947 64.136 62.300 -0.186 0.000 1.049 407 V CB -0.584 31.157 31.823 -0.136 0.000 0.672 407 V HN 0.285 nan 8.190 nan 0.000 0.457 408 D N -0.240 120.076 120.400 -0.139 0.000 2.144 408 D HA -0.176 4.464 4.640 0.001 0.000 0.199 408 D C 2.342 178.559 176.300 -0.138 0.000 0.984 408 D CA 1.232 55.153 54.000 -0.131 0.000 0.834 408 D CB -0.112 40.601 40.800 -0.146 0.000 0.955 408 D HN 0.519 nan 8.370 nan 0.000 0.465 409 Q N 0.009 119.696 119.800 -0.188 0.000 2.046 409 Q HA -0.073 4.268 4.340 0.001 0.000 0.200 409 Q C 2.426 178.394 176.000 -0.053 0.000 0.975 409 Q CA 0.756 56.476 55.803 -0.138 0.000 0.836 409 Q CB 0.026 28.665 28.738 -0.166 0.000 0.896 409 Q HN 0.130 nan 8.270 nan 0.000 0.428 410 V N 1.409 121.307 119.914 -0.028 0.000 2.287 410 V HA -0.290 3.830 4.120 0.001 0.000 0.248 410 V C 2.278 178.393 176.094 0.035 0.000 1.053 410 V CA 1.582 63.907 62.300 0.042 0.000 1.027 410 V CB -0.565 31.323 31.823 0.108 0.000 0.646 410 V HN 0.356 nan 8.190 nan 0.000 0.447 411 L N -0.153 121.077 121.223 0.011 0.000 1.990 411 L HA -0.265 4.076 4.340 0.001 0.000 0.213 411 L C 2.581 179.445 176.870 -0.010 0.000 1.072 411 L CA 2.278 57.122 54.840 0.006 0.000 0.755 411 L CB -0.705 41.343 42.059 -0.019 0.000 0.889 411 L HN 0.468 nan 8.230 nan 0.000 0.432 412 D N -0.245 120.138 120.400 -0.027 0.000 2.106 412 D HA -0.232 4.408 4.640 0.001 0.000 0.191 412 D C 2.032 178.323 176.300 -0.014 0.000 0.997 412 D CA 1.746 55.729 54.000 -0.029 0.000 0.834 412 D CB 0.263 41.041 40.800 -0.037 0.000 0.956 412 D HN 0.366 nan 8.370 nan 0.000 0.448 413 A N 0.145 122.970 122.820 0.008 0.000 1.898 413 A HA -0.088 4.232 4.320 0.001 0.000 0.216 413 A C 2.494 180.106 177.584 0.046 0.000 1.181 413 A CA 1.448 53.523 52.037 0.063 0.000 0.620 413 A CB -0.385 18.684 19.000 0.115 0.000 0.819 413 A HN 0.255 nan 8.150 nan 0.000 0.442 414 V N 0.169 120.054 119.914 -0.049 0.000 3.471 414 V HA 0.001 4.121 4.120 0.001 0.000 0.258 414 V C 0.625 176.617 176.094 -0.170 0.000 1.192 414 V CA 0.796 62.954 62.300 -0.236 0.000 1.116 414 V CB -0.212 31.550 31.823 -0.101 0.000 0.792 414 V HN 0.516 nan 8.190 nan 0.000 0.459 415 D N 0.307 120.684 120.400 -0.038 0.000 2.498 415 D HA 0.079 4.719 4.640 0.001 0.000 0.229 415 D C 1.037 177.394 176.300 0.094 0.000 1.188 415 D CA -0.157 53.892 54.000 0.080 0.000 1.028 415 D CB -0.197 40.635 40.800 0.054 0.000 1.087 415 D HN 0.238 nan 8.370 nan 0.000 0.510 416 F N 1.094 121.123 119.950 0.132 0.000 2.115 416 F HA -0.209 4.319 4.527 0.001 0.000 0.300 416 F C 2.260 178.167 175.800 0.177 0.000 1.092 416 F CA 1.526 59.639 58.000 0.189 0.000 1.245 416 F CB -0.140 38.978 39.000 0.197 0.000 0.995 416 F HN 0.376 nan 8.300 nan 0.000 0.481 417 D N -1.156 119.434 120.400 0.317 0.000 2.349 417 D HA -0.050 4.590 4.640 0.001 0.000 0.214 417 D C 0.340 176.610 176.300 -0.050 0.000 1.063 417 D CA 0.206 54.324 54.000 0.196 0.000 0.847 417 D CB -0.250 40.678 40.800 0.212 0.000 0.933 417 D HN 0.022 nan 8.370 nan 0.000 0.513 418 K N 0.984 121.339 120.400 -0.076 0.000 3.069 418 K HA -0.194 4.126 4.320 0.001 0.000 0.267 418 K C 0.505 177.043 176.600 -0.103 0.000 1.082 418 K CA 0.890 57.068 56.287 -0.183 0.000 0.782 418 K CB -2.420 29.789 32.500 -0.485 0.000 1.230 418 K HN 0.572 nan 8.250 nan 0.000 0.488 419 N N -0.244 118.468 118.700 0.019 0.000 2.398 419 N HA 0.012 4.752 4.740 0.001 0.000 0.188 419 N C 1.093 176.628 175.510 0.043 0.000 1.122 419 N CA 1.147 54.248 53.050 0.085 0.000 0.866 419 N CB 0.336 38.940 38.487 0.195 0.000 0.970 419 N HN 0.427 nan 8.380 nan 0.000 0.462 420 G N -0.995 107.767 108.800 -0.063 0.000 2.159 420 G HA2 -0.266 3.694 3.960 0.001 0.000 0.256 420 G HA3 -0.266 3.694 3.960 0.001 0.000 0.256 420 G C -0.629 173.985 174.900 -0.476 0.000 0.977 420 G CA 0.558 45.494 45.100 -0.274 0.000 0.652 420 G HN 0.447 nan 8.290 nan 0.000 0.531 421 Y N -0.983 119.377 120.300 0.100 0.000 2.576 421 Y HA 0.695 5.245 4.550 0.001 0.000 0.346 421 Y C 0.483 176.481 175.900 0.164 0.000 1.018 421 Y CA -1.347 56.831 58.100 0.131 0.000 1.050 421 Y CB 1.421 39.980 38.460 0.164 0.000 1.280 421 Y HN 0.053 nan 8.280 nan 0.000 0.474 422 I N 2.448 123.227 120.570 0.349 0.000 2.307 422 I HA 0.274 4.445 4.170 0.001 0.000 0.289 422 I C -0.386 175.972 176.117 0.402 0.000 1.021 422 I CA -0.397 61.106 61.300 0.338 0.000 1.224 422 I CB 0.957 39.148 38.000 0.318 0.000 1.376 422 I HN 0.589 nan 8.210 nan 0.000 0.470 423 E N 3.248 123.658 120.200 0.351 0.000 2.312 423 E HA 0.093 4.443 4.350 0.001 0.000 0.259 423 E C 0.445 177.147 176.600 0.171 0.000 1.122 423 E CA -0.310 56.263 56.400 0.288 0.000 0.922 423 E CB 0.767 30.600 29.700 0.222 0.000 1.109 423 E HN 0.430 nan 8.360 nan 0.000 0.442 424 Y N 1.009 121.149 120.300 -0.267 0.000 2.151 424 Y HA -0.277 4.274 4.550 0.000 0.000 0.284 424 Y C 1.966 177.691 175.900 -0.292 0.000 1.166 424 Y CA 2.267 59.908 58.100 -0.765 0.000 1.163 424 Y CB -0.067 37.837 38.460 -0.927 0.000 0.974 424 Y HN 0.424 nan 8.280 nan 0.000 0.511 425 S N 0.006 115.620 115.700 -0.142 0.000 2.406 425 S HA -0.146 4.324 4.470 0.001 0.000 0.228 425 S C 1.704 176.193 174.600 -0.186 0.000 1.020 425 S CA 1.223 59.321 58.200 -0.171 0.000 0.965 425 S CB -0.239 62.943 63.200 -0.030 0.000 0.798 425 S HN 0.582 nan 8.310 nan 0.000 0.488 426 E N 0.443 120.609 120.200 -0.056 0.000 2.058 426 E HA -0.171 4.179 4.350 0.001 0.000 0.194 426 E C 1.760 178.423 176.600 0.105 0.000 0.997 426 E CA 1.226 57.679 56.400 0.089 0.000 0.801 426 E CB -0.253 29.660 29.700 0.356 0.000 0.746 426 E HN 0.529 nan 8.360 nan 0.000 0.450 427 F N 1.433 121.343 119.950 -0.067 0.000 2.075 427 F HA -0.215 4.312 4.527 0.000 0.000 0.297 427 F C 2.167 177.855 175.800 -0.186 0.000 1.113 427 F CA 1.189 59.148 58.000 -0.068 0.000 1.218 427 F CB -0.282 38.747 39.000 0.049 0.000 0.984 427 F HN -0.216 nan 8.300 nan 0.000 0.472 428 V N -0.182 119.540 119.914 -0.320 0.000 2.343 428 V HA -0.302 3.818 4.120 0.001 0.000 0.247 428 V C 2.325 178.227 176.094 -0.320 0.000 1.051 428 V CA 2.310 64.371 62.300 -0.400 0.000 1.036 428 V CB -1.225 30.298 31.823 -0.500 0.000 0.654 428 V HN 0.436 nan 8.190 nan 0.000 0.451 429 T N 0.184 114.582 114.554 -0.259 0.000 2.684 429 T HA -0.178 4.173 4.350 0.001 0.000 0.267 429 T C 1.855 176.451 174.700 -0.175 0.000 1.036 429 T CA 1.942 63.932 62.100 -0.182 0.000 1.148 429 T CB -0.201 68.551 68.868 -0.193 0.000 0.863 429 T HN 0.327 nan 8.240 nan 0.000 0.436 430 V N 0.941 120.698 119.914 -0.262 0.000 2.725 430 V HA 0.127 4.247 4.120 0.001 0.000 0.247 430 V C 2.698 178.608 176.094 -0.306 0.000 1.058 430 V CA 1.172 63.267 62.300 -0.341 0.000 1.080 430 V CB -0.823 30.661 31.823 -0.564 0.000 0.713 430 V HN 0.479 nan 8.190 nan 0.000 0.465 431 A N -0.641 121.888 122.820 -0.485 0.000 2.016 431 A HA 0.099 4.420 4.320 0.001 0.000 0.217 431 A C 1.440 178.847 177.584 -0.294 0.000 1.162 431 A CA 0.444 52.172 52.037 -0.516 0.000 0.662 431 A CB -0.276 18.067 19.000 -1.095 0.000 0.812 431 A HN 0.490 nan 8.150 nan 0.000 0.450 432 M N 1.104 120.559 119.600 -0.241 0.000 2.248 432 M HA 0.068 4.548 4.480 0.001 0.000 0.337 432 M C -0.274 175.974 176.300 -0.087 0.000 1.121 432 M CA -0.116 55.102 55.300 -0.137 0.000 1.155 432 M CB 0.227 32.759 32.600 -0.113 0.000 1.514 432 M HN 0.349 nan 8.290 nan 0.000 0.452 433 D N 2.565 122.930 120.400 -0.058 0.000 2.520 433 D HA -0.086 4.554 4.640 0.001 0.000 0.243 433 D C 0.900 177.184 176.300 -0.028 0.000 1.160 433 D CA 0.343 54.322 54.000 -0.036 0.000 0.877 433 D CB 0.715 41.500 40.800 -0.025 0.000 1.150 433 D HN 0.562 nan 8.370 nan 0.000 0.494 434 R N 3.592 124.081 120.500 -0.017 0.000 2.081 434 R HA -0.148 4.192 4.340 0.001 0.000 0.235 434 R C 2.299 178.591 176.300 -0.014 0.000 1.131 434 R CA 2.594 58.689 56.100 -0.008 0.000 0.960 434 R CB -0.698 29.606 30.300 0.006 0.000 0.856 434 R HN 0.460 nan 8.270 nan 0.000 0.436 435 K N -0.697 119.694 120.400 -0.016 0.000 2.103 435 K HA -0.093 4.227 4.320 0.001 0.000 0.207 435 K C 2.213 178.805 176.600 -0.014 0.000 1.048 435 K CA 2.085 58.361 56.287 -0.017 0.000 0.930 435 K CB -1.487 31.003 32.500 -0.017 0.000 0.716 435 K HN 0.486 nan 8.250 nan 0.000 0.444 436 T N 0.907 115.451 114.554 -0.015 0.000 2.737 436 T HA -0.084 4.267 4.350 0.001 0.000 0.265 436 T C 1.954 176.644 174.700 -0.016 0.000 1.038 436 T CA 1.243 63.335 62.100 -0.014 0.000 1.144 436 T CB -0.285 68.574 68.868 -0.016 0.000 0.866 436 T HN 0.314 nan 8.240 nan 0.000 0.434 437 L N 1.045 122.256 121.223 -0.021 0.000 2.017 437 L HA 0.090 4.430 4.340 0.001 0.000 0.208 437 L C 1.058 177.922 176.870 -0.010 0.000 1.073 437 L CA 1.640 56.467 54.840 -0.023 0.000 0.745 437 L CB -0.671 41.373 42.059 -0.026 0.000 0.894 437 L HN 0.244 nan 8.230 nan 0.000 0.432 438 L N 1.078 122.298 121.223 -0.006 0.000 2.533 438 L HA 0.161 4.502 4.340 0.001 0.000 0.239 438 L C 0.744 177.621 176.870 0.012 0.000 1.376 438 L CA -0.352 54.490 54.840 0.004 0.000 1.240 438 L CB -1.195 40.854 42.059 -0.017 0.000 1.487 438 L HN 0.271 nan 8.230 nan 0.000 0.419 439 S N -0.956 114.755 115.700 0.018 0.000 2.593 439 S HA 0.147 4.618 4.470 0.001 0.000 0.269 439 S C 1.324 175.957 174.600 0.054 0.000 1.334 439 S CA -0.634 57.580 58.200 0.024 0.000 1.015 439 S CB 1.484 64.693 63.200 0.015 0.000 0.912 439 S HN 0.566 nan 8.310 nan 0.000 0.541 440 R N 0.981 121.513 120.500 0.054 0.000 2.134 440 R HA -0.233 4.107 4.340 0.001 0.000 0.248 440 R C 1.743 178.120 176.300 0.128 0.000 1.143 440 R CA 2.449 58.605 56.100 0.093 0.000 0.957 440 R CB -0.538 29.802 30.300 0.067 0.000 0.867 440 R HN 0.865 nan 8.270 nan 0.000 0.441 441 E N -0.504 119.742 120.200 0.077 0.000 2.047 441 E HA -0.142 4.208 4.350 0.001 0.000 0.191 441 E C 2.089 178.736 176.600 0.077 0.000 0.987 441 E CA 1.182 57.616 56.400 0.058 0.000 0.799 441 E CB -0.147 29.561 29.700 0.015 0.000 0.752 441 E HN 0.219 nan 8.360 nan 0.000 0.449 442 R N 0.326 120.868 120.500 0.070 0.000 2.081 442 R HA -0.066 4.274 4.340 0.001 0.000 0.235 442 R C 2.132 178.553 176.300 0.203 0.000 1.131 442 R CA 0.980 57.128 56.100 0.080 0.000 0.960 442 R CB -0.345 29.975 30.300 0.033 0.000 0.856 442 R HN 0.149 nan 8.270 nan 0.000 0.436 443 L N 0.018 121.392 121.223 0.251 0.000 1.989 443 L HA -0.222 4.119 4.340 0.001 0.000 0.211 443 L C 2.559 179.762 176.870 0.555 0.000 1.071 443 L CA 1.883 56.993 54.840 0.450 0.000 0.749 443 L CB -0.575 41.707 42.059 0.371 0.000 0.890 443 L HN 0.377 nan 8.230 nan 0.000 0.431 444 E N 0.189 120.614 120.200 0.374 0.000 2.038 444 E HA -0.318 4.032 4.350 0.001 0.000 0.195 444 E C 2.311 178.956 176.600 0.074 0.000 1.000 444 E CA 1.493 57.940 56.400 0.078 0.000 0.803 444 E CB 0.040 29.730 29.700 -0.016 0.000 0.750 444 E HN 0.152 nan 8.360 nan 0.000 0.448 445 R N 0.511 121.085 120.500 0.123 0.000 2.083 445 R HA -0.148 4.193 4.340 0.001 0.000 0.237 445 R C 2.124 178.586 176.300 0.270 0.000 1.137 445 R CA 1.925 58.113 56.100 0.146 0.000 0.951 445 R CB -0.832 29.546 30.300 0.130 0.000 0.851 445 R HN 0.270 nan 8.270 nan 0.000 0.434 446 A N -0.435 122.631 122.820 0.410 0.000 1.883 446 A HA -0.175 4.145 4.320 0.001 0.000 0.217 446 A C 2.199 179.915 177.584 0.220 0.000 1.186 446 A CA 1.571 53.911 52.037 0.505 0.000 0.624 446 A CB -0.956 18.459 19.000 0.691 0.000 0.822 446 A HN 0.488 nan 8.150 nan 0.000 0.444 447 F N 0.763 120.590 119.950 -0.204 0.000 2.095 447 F HA -0.190 4.337 4.527 0.001 0.000 0.298 447 F C 2.423 178.068 175.800 -0.258 0.000 1.104 447 F CA 2.070 59.688 58.000 -0.637 0.000 1.232 447 F CB -0.233 38.400 39.000 -0.612 0.000 0.987 447 F HN 0.127 nan 8.300 nan 0.000 0.475 448 R N -0.767 119.658 120.500 -0.125 0.000 2.152 448 R HA -0.182 4.158 4.340 0.001 0.000 0.232 448 R C 2.082 178.289 176.300 -0.155 0.000 1.117 448 R CA 1.525 57.529 56.100 -0.159 0.000 0.981 448 R CB -0.501 29.750 30.300 -0.082 0.000 0.870 448 R HN 0.341 nan 8.270 nan 0.000 0.451 449 M N 0.192 119.728 119.600 -0.106 0.000 2.086 449 M HA -0.088 4.392 4.480 0.001 0.000 0.261 449 M C 1.434 177.666 176.300 -0.114 0.000 1.067 449 M CA 1.745 56.950 55.300 -0.159 0.000 1.116 449 M CB -0.258 32.077 32.600 -0.442 0.000 1.348 449 M HN 0.016 nan 8.290 nan 0.000 0.407 450 F N -0.334 119.480 119.950 -0.228 0.000 2.206 450 F HA -0.074 4.454 4.527 0.001 0.000 0.298 450 F C 1.031 176.694 175.800 -0.230 0.000 1.090 450 F CA 0.838 58.748 58.000 -0.150 0.000 1.323 450 F CB -0.509 38.386 39.000 -0.174 0.000 1.028 450 F HN 0.116 nan 8.300 nan 0.000 0.492 451 D N 0.052 120.276 120.400 -0.293 0.000 2.608 451 D HA 0.055 4.695 4.640 0.001 0.000 0.224 451 D C 1.166 177.353 176.300 -0.189 0.000 1.123 451 D CA 0.212 54.008 54.000 -0.341 0.000 1.030 451 D CB 0.144 40.553 40.800 -0.653 0.000 1.093 451 D HN -0.043 nan 8.370 nan 0.000 0.497 452 S N 1.496 117.118 115.700 -0.130 0.000 2.353 452 S HA -0.214 4.256 4.470 0.001 0.000 0.222 452 S C 1.316 175.848 174.600 -0.113 0.000 1.035 452 S CA 1.533 59.644 58.200 -0.149 0.000 1.025 452 S CB -0.148 62.957 63.200 -0.159 0.000 0.902 452 S HN 0.708 nan 8.310 nan 0.000 0.440 453 D N 0.510 120.861 120.400 -0.082 0.000 2.336 453 D HA 0.016 4.657 4.640 0.001 0.000 0.229 453 D C 0.010 176.282 176.300 -0.046 0.000 1.061 453 D CA 0.013 53.979 54.000 -0.057 0.000 0.875 453 D CB -1.383 39.394 40.800 -0.039 0.000 0.904 453 D HN 0.483 nan 8.370 nan 0.000 0.525 454 N N -0.573 118.090 118.700 -0.061 0.000 2.714 454 N HA -0.242 4.498 4.740 0.001 0.000 0.250 454 N C 0.481 175.989 175.510 -0.003 0.000 1.117 454 N CA 0.590 53.616 53.050 -0.040 0.000 0.719 454 N CB -1.081 37.384 38.487 -0.036 0.000 1.081 454 N HN 0.430 nan 8.380 nan 0.000 0.557 455 S N -1.207 114.496 115.700 0.006 0.000 2.522 455 S HA 0.215 4.685 4.470 0.001 0.000 0.227 455 S C 1.693 176.343 174.600 0.083 0.000 0.986 455 S CA 1.073 59.295 58.200 0.037 0.000 0.929 455 S CB 0.658 63.879 63.200 0.034 0.000 0.769 455 S HN 0.808 nan 8.310 nan 0.000 0.529 456 G N 0.608 109.487 108.800 0.130 0.000 2.194 456 G HA2 -0.202 3.758 3.960 0.001 0.000 0.236 456 G HA3 -0.202 3.758 3.960 0.001 0.000 0.236 456 G C -0.154 174.983 174.900 0.395 0.000 0.987 456 G CA 0.134 45.388 45.100 0.257 0.000 0.635 456 G HN 0.637 nan 8.290 nan 0.000 0.520 457 K N -0.168 120.390 120.400 0.264 0.000 2.464 457 K HA 0.649 4.969 4.320 0.001 0.000 0.253 457 K C -0.500 176.190 176.600 0.150 0.000 0.933 457 K CA -0.985 55.474 56.287 0.286 0.000 0.801 457 K CB 2.336 34.966 32.500 0.218 0.000 1.271 457 K HN 0.142 nan 8.250 nan 0.000 0.430 458 I N 2.355 123.040 120.570 0.191 0.000 2.371 458 I HA 0.083 4.254 4.170 0.001 0.000 0.290 458 I C 0.624 176.912 176.117 0.284 0.000 1.028 458 I CA -0.090 61.306 61.300 0.160 0.000 1.345 458 I CB 1.253 39.376 38.000 0.206 0.000 1.407 458 I HN 0.659 nan 8.210 nan 0.000 0.501 459 S N 2.899 118.661 115.700 0.105 0.000 2.722 459 S HA 0.267 4.738 4.470 0.001 0.000 0.292 459 S C 1.120 175.366 174.600 -0.590 0.000 1.135 459 S CA -0.177 57.979 58.200 -0.073 0.000 1.003 459 S CB 1.687 64.832 63.200 -0.093 0.000 1.067 459 S HN 0.719 nan 8.310 nan 0.000 0.546 460 S N 0.541 115.447 115.700 -1.322 0.000 2.382 460 S HA -0.183 4.287 4.470 0.001 0.000 0.228 460 S C 1.951 176.176 174.600 -0.626 0.000 1.027 460 S CA 1.693 58.899 58.200 -1.657 0.000 0.991 460 S CB -1.860 60.298 63.200 -1.736 0.000 0.823 460 S HN 1.055 nan 8.310 nan 0.000 0.469 461 T N 0.231 114.549 114.554 -0.393 0.000 2.777 461 T HA -0.027 4.323 4.350 0.001 0.000 0.266 461 T C 1.668 176.305 174.700 -0.106 0.000 1.040 461 T CA 1.332 63.316 62.100 -0.193 0.000 1.141 461 T CB -0.698 68.090 68.868 -0.133 0.000 0.868 461 T HN 0.550 nan 8.240 nan 0.000 0.444 462 E N 0.528 120.675 120.200 -0.089 0.000 2.204 462 E HA 0.055 4.406 4.350 0.001 0.000 0.194 462 E C 2.141 178.793 176.600 0.087 0.000 0.989 462 E CA 0.519 56.928 56.400 0.015 0.000 0.824 462 E CB -0.187 29.532 29.700 0.031 0.000 0.756 462 E HN 0.401 nan 8.360 nan 0.000 0.477 463 L N 0.236 121.505 121.223 0.075 0.000 2.072 463 L HA -0.095 4.246 4.340 0.001 0.000 0.205 463 L C 2.363 179.368 176.870 0.225 0.000 1.079 463 L CA 1.126 56.118 54.840 0.253 0.000 0.752 463 L CB -0.418 41.809 42.059 0.279 0.000 0.906 463 L HN 0.141 nan 8.230 nan 0.000 0.436 464 A N -0.496 122.359 122.820 0.058 0.000 1.883 464 A HA -0.239 4.082 4.320 0.001 0.000 0.217 464 A C 2.205 179.833 177.584 0.074 0.000 1.186 464 A CA 2.507 54.570 52.037 0.043 0.000 0.624 464 A CB -1.016 17.958 19.000 -0.043 0.000 0.822 464 A HN 0.468 nan 8.150 nan 0.000 0.444 465 T N -0.157 114.427 114.554 0.050 0.000 2.708 465 T HA -0.105 4.246 4.350 0.001 0.000 0.266 465 T C 1.846 176.544 174.700 -0.005 0.000 1.037 465 T CA 1.366 63.502 62.100 0.060 0.000 1.146 465 T CB -0.361 68.571 68.868 0.107 0.000 0.865 465 T HN 0.421 nan 8.240 nan 0.000 0.435 466 I N -0.013 120.455 120.570 -0.170 0.000 2.264 466 I HA -0.149 4.021 4.170 0.001 0.000 0.248 466 I C 1.476 177.319 176.117 -0.456 0.000 1.111 466 I CA 1.400 62.284 61.300 -0.693 0.000 1.382 466 I CB -0.087 37.307 38.000 -1.009 0.000 1.060 466 I HN 0.185 nan 8.210 nan 0.000 0.418 467 F N 1.060 120.886 119.950 -0.207 0.000 2.802 467 F HA 0.126 4.653 4.527 0.000 0.000 0.300 467 F C 1.795 177.523 175.800 -0.121 0.000 1.168 467 F CA 0.877 58.793 58.000 -0.139 0.000 1.433 467 F CB -0.195 38.782 39.000 -0.038 0.000 1.115 467 F HN 0.246 nan 8.300 nan 0.000 0.582 468 G N 0.663 109.476 108.800 0.022 0.000 2.160 468 G HA2 -0.254 3.707 3.960 0.001 0.000 0.251 468 G HA3 -0.254 3.707 3.960 0.001 0.000 0.251 468 G C -0.009 174.909 174.900 0.030 0.000 1.008 468 G CA 0.265 45.370 45.100 0.009 0.000 0.724 468 G HN 0.258 nan 8.290 nan 0.000 0.514 469 V N -0.239 119.704 119.914 0.048 0.000 2.881 469 V HA 0.659 4.780 4.120 0.001 0.000 0.316 469 V C 1.602 177.691 176.094 -0.008 0.000 1.070 469 V CA 0.562 62.869 62.300 0.011 0.000 0.976 469 V CB 1.829 33.649 31.823 -0.005 0.000 1.038 469 V HN 0.296 nan 8.190 nan 0.000 0.446 470 S N 2.070 117.754 115.700 -0.028 0.000 2.357 470 S HA 0.017 4.487 4.470 0.001 0.000 0.221 470 S C -0.179 174.395 174.600 -0.043 0.000 1.031 470 S CA 0.984 59.164 58.200 -0.032 0.000 0.982 470 S CB -0.063 63.116 63.200 -0.036 0.000 0.853 470 S HN 0.899 nan 8.310 nan 0.000 0.458 471 D N -0.502 119.864 120.400 -0.056 0.000 2.934 471 D HA 0.492 5.133 4.640 0.001 0.000 0.230 471 D C -1.345 174.908 176.300 -0.078 0.000 1.204 471 D CA -0.466 53.493 54.000 -0.068 0.000 0.873 471 D CB 1.932 42.695 40.800 -0.062 0.000 1.645 471 D HN -0.119 nan 8.370 nan 0.000 0.502 472 V N 1.746 121.608 119.914 -0.086 0.000 2.546 472 V HA 0.131 4.251 4.120 0.001 0.000 0.284 472 V C 0.118 176.190 176.094 -0.036 0.000 1.050 472 V CA -0.380 61.877 62.300 -0.072 0.000 0.981 472 V CB 1.219 33.008 31.823 -0.055 0.000 0.990 472 V HN 0.566 nan 8.190 nan 0.000 0.474 473 D N 2.757 123.142 120.400 -0.026 0.000 2.571 473 D HA -0.061 4.580 4.640 0.001 0.000 0.231 473 D C 1.343 177.679 176.300 0.061 0.000 1.133 473 D CA 0.910 54.913 54.000 0.004 0.000 0.862 473 D CB 0.784 41.584 40.800 0.001 0.000 1.179 473 D HN 0.637 nan 8.370 nan 0.000 0.474 474 S N 1.998 117.732 115.700 0.057 0.000 2.387 474 S HA -0.212 4.259 4.470 0.001 0.000 0.230 474 S C 1.625 176.292 174.600 0.112 0.000 1.035 474 S CA 1.153 59.411 58.200 0.096 0.000 1.014 474 S CB -0.058 63.180 63.200 0.062 0.000 0.836 474 S HN 0.421 nan 8.310 nan 0.000 0.466 475 E N 0.547 120.789 120.200 0.069 0.000 2.106 475 E HA -0.055 4.295 4.350 0.001 0.000 0.192 475 E C 2.272 178.910 176.600 0.062 0.000 0.984 475 E CA 1.491 57.923 56.400 0.053 0.000 0.806 475 E CB -0.986 28.733 29.700 0.030 0.000 0.750 475 E HN 0.597 nan 8.360 nan 0.000 0.458 476 T N 0.723 115.325 114.554 0.080 0.000 2.777 476 T HA -0.133 4.218 4.350 0.001 0.000 0.266 476 T C 1.472 176.272 174.700 0.166 0.000 1.040 476 T CA 0.823 62.975 62.100 0.088 0.000 1.141 476 T CB -0.366 68.536 68.868 0.056 0.000 0.868 476 T HN 0.399 nan 8.240 nan 0.000 0.444 477 W N 2.131 123.429 121.300 -0.004 0.000 2.363 477 W HA -0.139 4.521 4.660 0.001 0.000 0.296 477 W C 2.269 178.799 176.519 0.018 0.000 1.212 477 W CA 1.157 58.512 57.345 0.017 0.000 1.260 477 W CB -0.065 29.408 29.460 0.021 0.000 1.131 477 W HN 0.157 nan 8.180 nan 0.000 0.530 478 K N 1.197 121.616 120.400 0.032 0.000 2.057 478 K HA -0.200 4.120 4.320 0.001 0.000 0.207 478 K C 2.319 178.845 176.600 -0.125 0.000 1.049 478 K CA 2.521 58.763 56.287 -0.075 0.000 0.931 478 K CB -0.732 31.768 32.500 0.000 0.000 0.714 478 K HN 0.076 nan 8.250 nan 0.000 0.440 479 S N -0.627 115.028 115.700 -0.075 0.000 2.419 479 S HA -0.095 4.375 4.470 0.001 0.000 0.233 479 S C 1.959 176.484 174.600 -0.126 0.000 1.016 479 S CA 1.185 59.338 58.200 -0.079 0.000 0.974 479 S CB -0.579 62.597 63.200 -0.040 0.000 0.786 479 S HN 0.062 nan 8.310 nan 0.000 0.492 480 V N 2.278 122.079 119.914 -0.188 0.000 2.270 480 V HA -0.088 4.032 4.120 0.001 0.000 0.245 480 V C 2.600 178.487 176.094 -0.345 0.000 1.043 480 V CA 1.791 63.928 62.300 -0.271 0.000 1.014 480 V CB -0.906 30.689 31.823 -0.380 0.000 0.645 480 V HN 0.457 nan 8.190 nan 0.000 0.447 481 L N 1.095 122.027 121.223 -0.485 0.000 2.042 481 L HA -0.186 4.155 4.340 0.001 0.000 0.210 481 L C 2.722 179.468 176.870 -0.207 0.000 1.076 481 L CA 1.961 56.570 54.840 -0.385 0.000 0.749 481 L CB -0.892 40.923 42.059 -0.407 0.000 0.893 481 L HN 0.565 nan 8.230 nan 0.000 0.432 482 S N -0.732 114.869 115.700 -0.165 0.000 2.419 482 S HA -0.169 4.302 4.470 0.001 0.000 0.233 482 S C 1.627 176.169 174.600 -0.097 0.000 1.016 482 S CA 1.109 59.245 58.200 -0.107 0.000 0.974 482 S CB -0.274 62.876 63.200 -0.084 0.000 0.786 482 S HN 0.541 nan 8.310 nan 0.000 0.492 483 E N 0.356 120.489 120.200 -0.111 0.000 2.216 483 E HA 0.102 4.453 4.350 0.001 0.000 0.192 483 E C 1.655 178.196 176.600 -0.098 0.000 0.973 483 E CA 0.772 57.113 56.400 -0.097 0.000 0.851 483 E CB 0.146 29.787 29.700 -0.098 0.000 0.804 483 E HN 0.453 nan 8.360 nan 0.000 0.477 484 V N 0.642 120.486 119.914 -0.117 0.000 3.151 484 V HA -0.012 4.108 4.120 0.001 0.000 0.241 484 V C 0.567 176.615 176.094 -0.077 0.000 1.173 484 V CA 0.250 62.491 62.300 -0.098 0.000 1.154 484 V CB 0.346 32.107 31.823 -0.102 0.000 0.898 484 V HN 0.065 nan 8.190 nan 0.000 0.473 485 D N 1.910 122.250 120.400 -0.100 0.000 2.498 485 D HA 0.229 4.869 4.640 0.001 0.000 0.229 485 D C 1.303 177.579 176.300 -0.041 0.000 1.188 485 D CA 0.564 54.525 54.000 -0.066 0.000 1.028 485 D CB 0.982 41.724 40.800 -0.096 0.000 1.087 485 D HN 0.358 nan 8.370 nan 0.000 0.510 486 K N 2.644 123.028 120.400 -0.027 0.000 2.288 486 K HA -0.134 4.187 4.320 0.001 0.000 0.201 486 K C 1.210 177.803 176.600 -0.012 0.000 1.048 486 K CA 1.329 57.602 56.287 -0.024 0.000 0.956 486 K CB -0.603 31.881 32.500 -0.026 0.000 0.746 486 K HN 0.563 nan 8.250 nan 0.000 0.461 487 N N -0.430 118.270 118.700 0.000 0.000 2.204 487 N HA -0.022 4.719 4.740 0.001 0.000 0.219 487 N C -0.533 174.986 175.510 0.015 0.000 1.151 487 N CA 0.020 53.076 53.050 0.009 0.000 0.867 487 N CB -0.124 38.374 38.487 0.018 0.000 1.043 487 N HN 0.311 nan 8.380 nan 0.000 0.516 488 N N 1.480 120.185 118.700 0.009 0.000 2.727 488 N HA -0.172 4.568 4.740 0.001 0.000 0.249 488 N C -0.661 174.870 175.510 0.034 0.000 1.048 488 N CA 1.355 54.412 53.050 0.012 0.000 0.714 488 N CB -1.070 37.421 38.487 0.006 0.000 0.959 488 N HN 0.731 nan 8.380 nan 0.000 0.544 489 D N -1.858 118.573 120.400 0.052 0.000 2.369 489 D HA 0.255 4.895 4.640 0.001 0.000 0.211 489 D C 1.319 177.688 176.300 0.115 0.000 1.077 489 D CA 0.624 54.669 54.000 0.075 0.000 0.842 489 D CB -0.181 40.665 40.800 0.077 0.000 0.947 489 D HN 0.371 nan 8.370 nan 0.000 0.509 490 G N -0.202 108.669 108.800 0.118 0.000 2.155 490 G HA2 -0.296 3.665 3.960 0.001 0.000 0.257 490 G HA3 -0.296 3.665 3.960 0.001 0.000 0.257 490 G C -0.038 175.085 174.900 0.372 0.000 0.983 490 G CA 0.460 45.685 45.100 0.209 0.000 0.676 490 G HN 0.500 nan 8.290 nan 0.000 0.528 491 E N -1.716 118.650 120.200 0.277 0.000 2.416 491 E HA 0.591 4.941 4.350 0.001 0.000 0.273 491 E C -0.763 175.999 176.600 0.269 0.000 0.935 491 E CA -0.984 55.636 56.400 0.366 0.000 0.784 491 E CB 2.641 32.508 29.700 0.279 0.000 1.301 491 E HN 0.135 nan 8.360 nan 0.000 0.454 492 V N 2.821 122.938 119.914 0.337 0.000 2.311 492 V HA 0.150 4.270 4.120 0.001 0.000 0.275 492 V C -0.485 175.864 176.094 0.425 0.000 1.022 492 V CA -0.709 61.781 62.300 0.317 0.000 0.830 492 V CB 0.553 32.582 31.823 0.343 0.000 1.012 492 V HN 0.678 nan 8.190 nan 0.000 0.452 493 D N 2.705 123.293 120.400 0.313 0.000 2.411 493 D HA 0.100 4.741 4.640 0.001 0.000 0.251 493 D C 1.117 177.489 176.300 0.119 0.000 1.201 493 D CA -0.554 53.624 54.000 0.297 0.000 0.996 493 D CB 0.735 41.630 40.800 0.159 0.000 1.101 493 D HN 0.311 nan 8.370 nan 0.000 0.504 494 F N -0.490 119.115 119.950 -0.574 0.000 2.202 494 F HA -0.208 4.320 4.527 0.001 0.000 0.301 494 F C 1.827 177.443 175.800 -0.306 0.000 1.082 494 F CA 1.507 58.896 58.000 -1.018 0.000 1.313 494 F CB 0.137 38.488 39.000 -1.082 0.000 1.024 494 F HN 0.422 nan 8.300 nan 0.000 0.495 495 D N 0.218 120.485 120.400 -0.222 0.000 2.097 495 D HA -0.199 4.442 4.640 0.001 0.000 0.197 495 D C 1.942 178.151 176.300 -0.151 0.000 0.984 495 D CA 1.786 55.651 54.000 -0.225 0.000 0.826 495 D CB -0.124 40.611 40.800 -0.109 0.000 0.973 495 D HN 0.421 nan 8.370 nan 0.000 0.460 496 E N -0.994 119.181 120.200 -0.042 0.000 2.106 496 E HA -0.115 4.236 4.350 0.001 0.000 0.192 496 E C 1.857 178.474 176.600 0.029 0.000 0.984 496 E CA 0.461 56.859 56.400 -0.003 0.000 0.806 496 E CB -0.257 29.470 29.700 0.045 0.000 0.750 496 E HN 0.342 nan 8.360 nan 0.000 0.458 497 F N 2.087 122.003 119.950 -0.056 0.000 2.095 497 F HA -0.264 4.264 4.527 0.001 0.000 0.298 497 F C 2.244 177.982 175.800 -0.104 0.000 1.104 497 F CA 1.781 59.782 58.000 0.001 0.000 1.232 497 F CB -0.071 39.056 39.000 0.210 0.000 0.987 497 F HN -0.071 nan 8.300 nan 0.000 0.475 498 Q N -0.251 119.465 119.800 -0.139 0.000 2.096 498 Q HA -0.271 4.069 4.340 0.001 0.000 0.204 498 Q C 2.278 178.145 176.000 -0.221 0.000 0.982 498 Q CA 2.128 57.774 55.803 -0.262 0.000 0.850 498 Q CB -0.333 28.165 28.738 -0.400 0.000 0.901 498 Q HN 0.597 nan 8.270 nan 0.000 0.422 499 Q N 0.030 119.723 119.800 -0.178 0.000 2.119 499 Q HA -0.143 4.198 4.340 0.001 0.000 0.201 499 Q C 2.102 178.018 176.000 -0.140 0.000 0.972 499 Q CA 1.176 56.896 55.803 -0.139 0.000 0.847 499 Q CB -0.176 28.497 28.738 -0.108 0.000 0.903 499 Q HN 0.460 nan 8.270 nan 0.000 0.433 500 M N 0.368 119.872 119.600 -0.161 0.000 2.106 500 M HA -0.223 4.258 4.480 0.001 0.000 0.259 500 M C 1.446 177.633 176.300 -0.189 0.000 1.068 500 M CA 1.667 56.865 55.300 -0.170 0.000 1.100 500 M CB 0.099 32.584 32.600 -0.193 0.000 1.351 500 M HN 0.182 nan 8.290 nan 0.000 0.404 501 L N -0.752 120.327 121.223 -0.241 0.000 2.316 501 L HA 0.026 4.366 4.340 0.001 0.000 0.207 501 L C 2.198 178.988 176.870 -0.134 0.000 1.070 501 L CA 0.235 54.952 54.840 -0.204 0.000 0.820 501 L CB -0.337 41.552 42.059 -0.282 0.000 0.992 501 L HN 0.306 nan 8.230 nan 0.000 0.466 502 L N -0.434 120.708 121.223 -0.134 0.000 2.179 502 L HA -0.014 4.326 4.340 0.001 0.000 0.208 502 L C 1.069 177.891 176.870 -0.080 0.000 1.096 502 L CA 0.956 55.738 54.840 -0.097 0.000 0.779 502 L CB -0.098 41.901 42.059 -0.101 0.000 0.922 502 L HN 0.165 nan 8.230 nan 0.000 0.443 503 K N 0.000 120.347 120.400 -0.088 0.000 2.780 503 K HA 0.000 4.320 4.320 0.001 0.000 0.191 503 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 503 K CB 0.000 32.457 32.500 -0.071 0.000 1.064 503 K HN 0.000 nan 8.250 nan 0.000 0.543