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 3e04_1_A DATA FIRST_RESID 49 DATA SEQUENCE SFRIEYDTFG ELKVPNDKYY GAQTVRSTMN FKIGGVTERM PTPVIKAFGI DATA SEQUENCE LKRAAAEVNQ DYGLDPKIAN AIMKAADEVA EGKLNDHFPL VVWQTGSGTQ DATA SEQUENCE TNMNVNEVIS NRAIEMLGGE LGSKIPVHPN DHVNKSQSSN DTFPTAMHIA DATA SEQUENCE AAIEVHEVLL PGLQKLHDAL DAKSKEFAQI IKIGRTHTQD AVPLTLGQEF DATA SEQUENCE SGYVQQVKYA MTRIKAAMPR IYELAAGGTA VGTGLNTRIG FAEKVAAKVA DATA SEQUENCE ALTGLPFVTA PNKFEALAAH DALVELSGAM NTTACSLMKI ANDIRFLGSG DATA SEQUENCE PRSGLGELIL PENEPGXXXX XGKVNPTQCE AMTMVAAQVM GNHVAVTVGG DATA SEQUENCE SNGHFELNVF KPMMIKNVLH SARLLGDASV SFTENCVVGI QANTERINKL DATA SEQUENCE MNESLMLVTA LNPHIGYDKA AKIAKTAHKN GSTLKETAIE LGYLTAEQFD DATA SEQUENCE EWVKPKDMLG P 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.572 174.600 -0.047 0.000 1.055 49 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 49 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 50 F N 1.875 121.799 119.950 -0.043 0.000 2.563 50 F HA 0.911 5.438 4.527 -0.000 0.000 0.316 50 F C -0.019 175.750 175.800 -0.051 0.000 1.076 50 F CA -1.056 56.914 58.000 -0.050 0.000 0.921 50 F CB 0.668 39.644 39.000 -0.040 0.000 1.209 50 F HN 0.585 nan 8.300 nan 0.000 0.462 51 R N 2.452 122.915 120.500 -0.061 0.000 2.782 51 R HA 0.853 5.192 4.340 -0.000 0.000 0.258 51 R C -1.241 175.016 176.300 -0.071 0.000 1.055 51 R CA -0.517 55.550 56.100 -0.055 0.000 1.065 51 R CB 2.313 32.582 30.300 -0.051 0.000 1.172 51 R HN 0.921 nan 8.270 nan 0.000 0.510 52 I N 0.923 121.444 120.570 -0.083 0.000 2.359 52 I HA 0.282 4.452 4.170 -0.000 0.000 0.294 52 I C -0.523 175.463 176.117 -0.218 0.000 0.987 52 I CA -0.421 60.779 61.300 -0.167 0.000 1.225 52 I CB 1.301 39.201 38.000 -0.166 0.000 1.366 52 I HN 0.765 nan 8.210 nan 0.000 0.466 53 E N 5.674 125.685 120.200 -0.314 0.000 2.428 53 E HA 0.506 4.856 4.350 -0.000 0.000 0.259 53 E C -1.872 174.424 176.600 -0.506 0.000 0.930 53 E CA -0.784 55.465 56.400 -0.251 0.000 0.823 53 E CB 2.531 32.198 29.700 -0.056 0.000 1.403 53 E HN 0.444 nan 8.360 nan 0.000 0.415 54 Y N 0.124 120.439 120.300 0.025 0.000 2.513 54 Y HA 0.266 4.816 4.550 -0.000 0.000 0.340 54 Y C -0.568 175.358 175.900 0.043 0.000 1.055 54 Y CA -1.046 57.077 58.100 0.038 0.000 1.020 54 Y CB 1.714 40.197 38.460 0.037 0.000 1.301 54 Y HN 0.518 nan 8.280 nan 0.000 0.453 55 D N -2.100 118.433 120.400 0.221 0.000 2.758 55 D HA 0.267 4.907 4.640 -0.000 0.000 0.262 55 D C 0.794 177.225 176.300 0.218 0.000 1.113 55 D CA -0.406 53.705 54.000 0.185 0.000 1.114 55 D CB 0.224 41.106 40.800 0.137 0.000 1.363 55 D HN 0.468 nan 8.370 nan 0.000 0.617 56 T N -2.955 111.737 114.554 0.231 0.000 3.035 56 T HA -0.000 4.349 4.350 -0.000 0.000 0.268 56 T C 1.505 176.333 174.700 0.213 0.000 1.109 56 T CA 0.652 62.873 62.100 0.201 0.000 1.119 56 T CB -0.698 68.276 68.868 0.176 0.000 0.900 56 T HN 0.338 nan 8.240 nan 0.000 0.503 57 F N 1.898 121.881 119.950 0.055 0.000 2.512 57 F HA 0.413 4.939 4.527 -0.000 0.000 0.296 57 F C 1.887 177.720 175.800 0.055 0.000 1.110 57 F CA 0.454 58.482 58.000 0.046 0.000 1.446 57 F CB 0.225 39.247 39.000 0.036 0.000 1.092 57 F HN 0.606 nan 8.300 nan 0.000 0.554 58 G N -0.467 108.483 108.800 0.250 0.000 2.291 58 G HA2 0.296 4.256 3.960 -0.000 0.000 0.249 58 G HA3 0.296 4.256 3.960 -0.000 0.000 0.249 58 G C -1.370 173.629 174.900 0.166 0.000 1.340 58 G CA -0.474 44.744 45.100 0.197 0.000 1.017 58 G HN 0.163 nan 8.290 nan 0.000 0.470 59 E N -0.561 119.686 120.200 0.079 0.000 2.216 59 E HA 0.800 5.150 4.350 -0.000 0.000 0.279 59 E C -0.421 176.107 176.600 -0.120 0.000 0.997 59 E CA -0.400 55.914 56.400 -0.144 0.000 0.817 59 E CB 1.402 30.992 29.700 -0.183 0.000 1.096 59 E HN 1.010 nan 8.360 nan 0.000 0.393 60 L N 1.439 122.555 121.223 -0.178 0.000 2.445 60 L HA 0.462 4.802 4.340 -0.000 0.000 0.262 60 L C -0.146 176.658 176.870 -0.111 0.000 0.974 60 L CA -1.124 53.658 54.840 -0.097 0.000 0.822 60 L CB 2.708 44.744 42.059 -0.039 0.000 1.339 60 L HN 0.457 nan 8.230 nan 0.000 0.409 61 K N 1.495 121.854 120.400 -0.069 0.000 2.368 61 K HA 0.436 4.755 4.320 -0.000 0.000 0.282 61 K C -0.935 175.651 176.600 -0.023 0.000 1.035 61 K CA -0.179 56.075 56.287 -0.055 0.000 0.973 61 K CB 1.129 33.607 32.500 -0.037 0.000 0.957 61 K HN 0.219 nan 8.250 nan 0.000 0.474 62 V N 5.649 125.543 119.914 -0.034 0.000 2.604 62 V HA 0.289 4.409 4.120 -0.000 0.000 0.305 62 V C -2.331 173.717 176.094 -0.077 0.000 1.043 62 V CA -2.561 59.726 62.300 -0.022 0.000 0.888 62 V CB 1.614 33.416 31.823 -0.035 0.000 0.995 62 V HN 0.677 nan 8.190 nan 0.000 0.429 63 P HA 0.150 nan 4.420 nan 0.000 0.267 63 P C 0.542 177.736 177.300 -0.177 0.000 1.205 63 P CA 0.060 63.088 63.100 -0.120 0.000 0.765 63 P CB 0.451 32.082 31.700 -0.116 0.000 0.828 64 N N 2.455 121.074 118.700 -0.135 0.000 2.192 64 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 64 N C 0.860 176.253 175.510 -0.195 0.000 1.013 64 N CA 1.443 54.407 53.050 -0.143 0.000 0.863 64 N CB -0.407 38.019 38.487 -0.101 0.000 0.990 64 N HN 0.580 nan 8.380 nan 0.000 0.430 65 D N -0.319 119.966 120.400 -0.192 0.000 2.325 65 D HA 0.008 4.648 4.640 -0.000 0.000 0.234 65 D C -0.245 175.904 176.300 -0.251 0.000 1.122 65 D CA 0.243 54.119 54.000 -0.208 0.000 0.850 65 D CB 0.024 40.741 40.800 -0.138 0.000 0.921 65 D HN -0.121 nan 8.370 nan 0.000 0.513 66 K N 0.250 120.440 120.400 -0.350 0.000 2.324 66 K HA 0.173 4.492 4.320 -0.000 0.000 0.253 66 K C -0.256 176.070 176.600 -0.458 0.000 0.932 66 K CA -0.844 55.204 56.287 -0.399 0.000 0.799 66 K CB 1.573 33.541 32.500 -0.886 0.000 1.154 66 K HN -0.108 nan 8.250 nan 0.000 0.425 67 Y N 0.635 120.789 120.300 -0.243 0.000 2.544 67 Y HA -0.076 4.474 4.550 -0.000 0.000 0.286 67 Y C 0.972 176.744 175.900 -0.213 0.000 1.141 67 Y CA -0.026 57.889 58.100 -0.308 0.000 1.299 67 Y CB -0.428 37.748 38.460 -0.473 0.000 1.030 67 Y HN 0.538 nan 8.280 nan 0.000 0.543 68 Y N -0.974 119.329 120.300 0.004 0.000 2.220 68 Y HA 0.616 5.166 4.550 -0.000 0.000 0.347 68 Y C 0.858 176.736 175.900 -0.038 0.000 1.311 68 Y CA -1.224 56.837 58.100 -0.065 0.000 1.593 68 Y CB -0.187 38.203 38.460 -0.117 0.000 1.419 68 Y HN -0.089 nan 8.280 nan 0.000 0.614 69 G N -1.165 107.797 108.800 0.270 0.000 3.247 69 G HA2 0.477 4.437 3.960 -0.000 0.000 0.226 69 G HA3 0.477 4.437 3.960 -0.000 0.000 0.226 69 G C 0.365 175.347 174.900 0.136 0.000 1.220 69 G CA -0.669 44.516 45.100 0.141 0.000 0.875 69 G HN 0.949 nan 8.290 nan 0.000 0.606 70 A N -0.873 121.985 122.820 0.063 0.000 1.897 70 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 70 A C 2.164 179.759 177.584 0.018 0.000 1.181 70 A CA 1.897 53.956 52.037 0.036 0.000 0.620 70 A CB -0.567 18.450 19.000 0.028 0.000 0.821 70 A HN 0.571 nan 8.150 nan 0.000 0.443 71 Q N -0.767 119.039 119.800 0.011 0.000 2.167 71 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 71 Q C 1.977 177.945 176.000 -0.053 0.000 0.970 71 Q CA 1.670 57.459 55.803 -0.023 0.000 0.855 71 Q CB -0.362 28.364 28.738 -0.021 0.000 0.911 71 Q HN 0.653 nan 8.270 nan 0.000 0.438 72 T N 0.767 115.283 114.554 -0.064 0.000 2.812 72 T HA -0.076 4.274 4.350 -0.000 0.000 0.264 72 T C 2.129 176.702 174.700 -0.212 0.000 1.042 72 T CA 0.986 62.977 62.100 -0.183 0.000 1.140 72 T CB -0.166 68.503 68.868 -0.331 0.000 0.870 72 T HN 0.030 nan 8.240 nan 0.000 0.445 73 V N 1.573 121.424 119.914 -0.104 0.000 2.332 73 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 73 V C 2.633 178.700 176.094 -0.046 0.000 1.055 73 V CA 1.808 64.078 62.300 -0.049 0.000 1.038 73 V CB -0.612 31.243 31.823 0.052 0.000 0.651 73 V HN 0.353 nan 8.190 nan 0.000 0.450 74 R N 0.163 120.640 120.500 -0.037 0.000 2.083 74 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 74 R C 2.509 178.803 176.300 -0.009 0.000 1.137 74 R CA 2.034 58.112 56.100 -0.036 0.000 0.951 74 R CB -0.310 29.954 30.300 -0.061 0.000 0.851 74 R HN 0.583 nan 8.270 nan 0.000 0.434 75 S N -0.211 115.495 115.700 0.010 0.000 2.356 75 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 75 S C 2.045 176.722 174.600 0.129 0.000 1.032 75 S CA 1.849 60.125 58.200 0.127 0.000 1.005 75 S CB -0.652 62.553 63.200 0.008 0.000 0.867 75 S HN 0.684 nan 8.310 nan 0.000 0.449 76 T N 0.937 115.489 114.554 -0.003 0.000 2.759 76 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 76 T C 1.720 176.423 174.700 0.006 0.000 1.042 76 T CA 1.375 63.468 62.100 -0.011 0.000 1.140 76 T CB -0.560 68.265 68.868 -0.071 0.000 0.864 76 T HN 0.290 nan 8.240 nan 0.000 0.455 77 M N 1.174 120.766 119.600 -0.013 0.000 2.254 77 M HA 0.080 4.560 4.480 -0.000 0.000 0.265 77 M C 1.789 178.038 176.300 -0.085 0.000 1.066 77 M CA 1.144 56.422 55.300 -0.038 0.000 1.123 77 M CB -0.174 32.403 32.600 -0.040 0.000 1.388 77 M HN 0.223 nan 8.290 nan 0.000 0.425 78 N N -0.800 117.826 118.700 -0.123 0.000 2.282 78 N HA 0.112 4.852 4.740 -0.000 0.000 0.185 78 N C -0.485 174.558 175.510 -0.778 0.000 1.099 78 N CA 0.576 53.380 53.050 -0.410 0.000 0.878 78 N CB 0.570 38.773 38.487 -0.474 0.000 0.993 78 N HN 0.192 nan 8.380 nan 0.000 0.481 79 F N 0.963 120.895 119.950 -0.030 0.000 2.531 79 F HA 0.357 4.884 4.527 -0.000 0.000 0.333 79 F C 0.151 175.959 175.800 0.013 0.000 1.292 79 F CA -0.700 57.298 58.000 -0.004 0.000 1.184 79 F CB 0.711 39.705 39.000 -0.009 0.000 1.426 79 F HN -0.431 nan 8.300 nan 0.000 0.559 80 K N 2.948 123.387 120.400 0.066 0.000 2.333 80 K HA 0.430 4.750 4.320 -0.000 0.000 0.241 80 K C -0.410 176.237 176.600 0.079 0.000 1.193 80 K CA 0.130 56.454 56.287 0.062 0.000 1.142 80 K CB 0.379 32.885 32.500 0.010 0.000 1.731 80 K HN 0.478 nan 8.250 nan 0.000 0.344 81 I N 0.781 121.442 120.570 0.152 0.000 2.420 81 I HA 0.212 4.382 4.170 -0.000 0.000 0.282 81 I C 0.911 177.137 176.117 0.182 0.000 1.019 81 I CA -0.391 60.992 61.300 0.139 0.000 1.130 81 I CB 1.584 39.702 38.000 0.197 0.000 1.262 81 I HN 0.729 nan 8.210 nan 0.000 0.454 82 G N 3.961 112.810 108.800 0.081 0.000 2.258 82 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.233 82 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.233 82 G C 0.696 175.654 174.900 0.097 0.000 1.006 82 G CA -0.014 45.138 45.100 0.086 0.000 0.620 82 G HN 1.440 nan 8.290 nan 0.000 0.511 83 G N -1.409 107.450 108.800 0.100 0.000 2.642 83 G HA2 0.059 4.019 3.960 -0.000 0.000 0.231 83 G HA3 0.059 4.019 3.960 -0.000 0.000 0.231 83 G C 1.508 176.456 174.900 0.080 0.000 1.338 83 G CA 2.290 47.435 45.100 0.076 0.000 0.883 83 G HN 1.917 nan 8.290 nan 0.000 0.570 84 V N -1.988 117.961 119.914 0.059 0.000 2.515 84 V HA 0.015 4.135 4.120 -0.000 0.000 0.250 84 V C 3.118 179.245 176.094 0.055 0.000 1.058 84 V CA 3.364 65.695 62.300 0.052 0.000 1.064 84 V CB -1.335 30.513 31.823 0.041 0.000 0.675 84 V HN 2.218 nan 8.190 nan 0.000 0.461 85 T N -1.489 113.101 114.554 0.059 0.000 2.929 85 T HA -0.147 4.203 4.350 -0.000 0.000 0.271 85 T C 1.510 176.253 174.700 0.072 0.000 1.085 85 T CA 1.596 63.731 62.100 0.058 0.000 1.125 85 T CB -0.550 68.351 68.868 0.056 0.000 0.874 85 T HN 0.577 nan 8.240 nan 0.000 0.494 86 E N 0.811 121.076 120.200 0.108 0.000 2.479 86 E HA 0.203 4.553 4.350 -0.000 0.000 0.193 86 E C 0.682 177.299 176.600 0.029 0.000 1.049 86 E CA -0.097 56.391 56.400 0.145 0.000 0.870 86 E CB -0.125 29.784 29.700 0.348 0.000 0.944 86 E HN 0.632 nan 8.360 nan 0.000 0.492 87 R N 0.655 121.170 120.500 0.025 0.000 2.697 87 R HA -0.003 4.337 4.340 -0.000 0.000 0.265 87 R C 0.638 176.913 176.300 -0.041 0.000 1.009 87 R CA -0.258 55.842 56.100 -0.000 0.000 1.099 87 R CB 0.134 30.453 30.300 0.031 0.000 0.965 87 R HN 0.002 nan 8.270 nan 0.000 0.428 88 M N 4.375 123.945 119.600 -0.051 0.000 2.286 88 M HA 0.000 4.480 4.480 -0.000 0.000 0.365 88 M C -2.111 174.170 176.300 -0.032 0.000 1.443 88 M CA -1.116 54.154 55.300 -0.050 0.000 0.951 88 M CB 0.226 32.822 32.600 -0.007 0.000 1.961 88 M HN 0.306 nan 8.290 nan 0.000 0.468 89 P HA 0.045 nan 4.420 nan 0.000 0.266 89 P C 0.313 177.592 177.300 -0.035 0.000 1.195 89 P CA 0.085 63.172 63.100 -0.023 0.000 0.768 89 P CB 0.344 32.034 31.700 -0.017 0.000 0.838 90 T N 3.681 118.219 114.554 -0.026 0.000 2.720 90 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 90 T C -0.884 173.782 174.700 -0.056 0.000 1.037 90 T CA 1.923 63.996 62.100 -0.044 0.000 1.144 90 T CB -1.651 67.211 68.868 -0.011 0.000 0.864 90 T HN 0.513 nan 8.240 nan 0.000 0.444 91 P HA -0.055 nan 4.420 nan 0.000 0.216 91 P C 1.616 178.873 177.300 -0.072 0.000 1.150 91 P CA 0.629 63.706 63.100 -0.038 0.000 0.843 91 P CB -0.216 31.474 31.700 -0.017 0.000 0.787 92 V N -0.403 119.461 119.914 -0.083 0.000 2.358 92 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 92 V C 2.339 178.419 176.094 -0.023 0.000 1.047 92 V CA 1.491 63.723 62.300 -0.114 0.000 1.035 92 V CB -1.051 30.702 31.823 -0.116 0.000 0.658 92 V HN 0.017 nan 8.190 nan 0.000 0.452 93 I N 0.311 120.823 120.570 -0.096 0.000 2.127 93 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 93 I C 2.416 178.434 176.117 -0.166 0.000 1.075 93 I CA 1.762 62.908 61.300 -0.257 0.000 1.334 93 I CB -1.342 36.338 38.000 -0.532 0.000 1.040 93 I HN 0.355 nan 8.210 nan 0.000 0.405 94 K N 0.810 121.137 120.400 -0.122 0.000 2.063 94 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 94 K C 2.223 178.788 176.600 -0.057 0.000 1.048 94 K CA 1.660 57.904 56.287 -0.070 0.000 0.928 94 K CB -0.295 32.178 32.500 -0.045 0.000 0.713 94 K HN 0.326 nan 8.250 nan 0.000 0.442 95 A N 0.928 123.696 122.820 -0.087 0.000 1.908 95 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 95 A C 1.969 179.442 177.584 -0.184 0.000 1.181 95 A CA 1.330 53.272 52.037 -0.157 0.000 0.627 95 A CB -0.759 18.102 19.000 -0.231 0.000 0.818 95 A HN 0.205 nan 8.150 nan 0.000 0.445 96 F N 0.451 120.290 119.950 -0.184 0.000 2.161 96 F HA -0.081 4.445 4.527 -0.000 0.000 0.300 96 F C 2.601 178.347 175.800 -0.090 0.000 1.089 96 F CA 1.330 59.245 58.000 -0.142 0.000 1.282 96 F CB -0.722 38.193 39.000 -0.141 0.000 1.010 96 F HN 0.284 nan 8.300 nan 0.000 0.485 97 G N -0.068 108.789 108.800 0.096 0.000 2.422 97 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 97 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 97 G C 1.790 176.702 174.900 0.020 0.000 1.146 97 G CA 0.963 46.098 45.100 0.058 0.000 0.769 97 G HN 0.361 nan 8.290 nan 0.000 0.547 98 I N 0.136 120.692 120.570 -0.023 0.000 2.163 98 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 98 I C 2.585 178.662 176.117 -0.068 0.000 1.085 98 I CA 0.824 62.092 61.300 -0.054 0.000 1.347 98 I CB -0.248 37.697 38.000 -0.092 0.000 1.044 98 I HN 0.208 nan 8.210 nan 0.000 0.408 99 L N 0.866 122.030 121.223 -0.097 0.000 2.046 99 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 99 L C 2.407 179.276 176.870 -0.002 0.000 1.077 99 L CA 1.924 56.702 54.840 -0.102 0.000 0.747 99 L CB -0.598 41.354 42.059 -0.178 0.000 0.896 99 L HN 0.022 nan 8.230 nan 0.000 0.432 100 K N -0.151 120.284 120.400 0.057 0.000 2.097 100 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 100 K C 2.260 178.903 176.600 0.072 0.000 1.050 100 K CA 1.278 57.624 56.287 0.099 0.000 0.938 100 K CB -0.455 32.123 32.500 0.131 0.000 0.718 100 K HN 0.261 nan 8.250 nan 0.000 0.442 101 R N 1.724 122.250 120.500 0.044 0.000 2.094 101 R HA -0.124 4.215 4.340 -0.000 0.000 0.239 101 R C 2.062 178.377 176.300 0.025 0.000 1.137 101 R CA 2.096 58.212 56.100 0.028 0.000 0.943 101 R CB -0.916 29.390 30.300 0.010 0.000 0.850 101 R HN 0.141 nan 8.270 nan 0.000 0.433 102 A N 0.386 123.209 122.820 0.005 0.000 1.877 102 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 102 A C 2.479 180.084 177.584 0.034 0.000 1.186 102 A CA 2.075 54.107 52.037 -0.008 0.000 0.620 102 A CB -1.304 17.660 19.000 -0.060 0.000 0.822 102 A HN 0.565 nan 8.150 nan 0.000 0.443 103 A N -0.241 122.627 122.820 0.081 0.000 1.908 103 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 103 A C 2.494 180.207 177.584 0.215 0.000 1.181 103 A CA 2.355 54.519 52.037 0.212 0.000 0.627 103 A CB -0.995 18.161 19.000 0.261 0.000 0.818 103 A HN 1.108 nan 8.150 nan 0.000 0.445 104 A N -0.754 122.148 122.820 0.137 0.000 1.929 104 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 104 A C 2.015 179.656 177.584 0.095 0.000 1.176 104 A CA 1.657 53.763 52.037 0.115 0.000 0.628 104 A CB -0.468 18.581 19.000 0.080 0.000 0.816 104 A HN 0.658 nan 8.150 nan 0.000 0.444 105 E N -0.225 120.018 120.200 0.072 0.000 2.031 105 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 105 E C 1.882 178.520 176.600 0.063 0.000 0.994 105 E CA 1.560 57.989 56.400 0.048 0.000 0.800 105 E CB -0.124 29.590 29.700 0.024 0.000 0.752 105 E HN 0.289 nan 8.360 nan 0.000 0.447 106 V N 2.030 122.003 119.914 0.099 0.000 2.490 106 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 106 V C 1.920 178.142 176.094 0.214 0.000 1.061 106 V CA 1.565 63.945 62.300 0.134 0.000 1.064 106 V CB -0.555 31.359 31.823 0.152 0.000 0.670 106 V HN 0.313 nan 8.190 nan 0.000 0.461 107 N N -0.037 118.833 118.700 0.282 0.000 2.520 107 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 107 N C 1.842 177.443 175.510 0.151 0.000 1.068 107 N CA 0.766 54.003 53.050 0.311 0.000 0.911 107 N CB -0.166 38.469 38.487 0.246 0.000 0.961 107 N HN 0.615 nan 8.380 nan 0.000 0.446 108 Q N 0.128 119.966 119.800 0.062 0.000 2.291 108 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 108 Q C 0.416 176.368 176.000 -0.081 0.000 0.976 108 Q CA 0.938 56.742 55.803 0.001 0.000 0.875 108 Q CB 0.069 28.803 28.738 -0.008 0.000 0.927 108 Q HN 0.313 nan 8.270 nan 0.000 0.450 109 D N -0.965 119.304 120.400 -0.219 0.000 2.363 109 D HA -0.085 4.555 4.640 -0.000 0.000 0.220 109 D C 0.019 175.955 176.300 -0.606 0.000 0.994 109 D CA 0.887 54.603 54.000 -0.472 0.000 0.890 109 D CB 0.187 40.548 40.800 -0.732 0.000 0.906 109 D HN 0.327 nan 8.370 nan 0.000 0.530 110 Y N -1.216 119.114 120.300 0.049 0.000 2.715 110 Y HA 0.458 5.008 4.550 -0.000 0.000 0.255 110 Y C 1.648 177.558 175.900 0.018 0.000 1.139 110 Y CA -0.345 57.773 58.100 0.029 0.000 1.151 110 Y CB 1.038 39.510 38.460 0.020 0.000 1.201 110 Y HN -0.014 nan 8.280 nan 0.000 0.556 111 G N -0.159 108.698 108.800 0.095 0.000 2.339 111 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.209 111 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.209 111 G C -0.061 174.879 174.900 0.067 0.000 1.015 111 G CA -0.349 44.794 45.100 0.072 0.000 0.635 111 G HN 0.169 nan 8.290 nan 0.000 0.499 112 L N 2.640 123.916 121.223 0.088 0.000 2.601 112 L HA 0.434 4.774 4.340 -0.000 0.000 0.277 112 L C 0.520 177.413 176.870 0.038 0.000 1.219 112 L CA 0.340 55.231 54.840 0.085 0.000 0.915 112 L CB 0.425 42.546 42.059 0.102 0.000 1.160 112 L HN 0.380 nan 8.230 nan 0.000 0.494 113 D N 6.547 126.956 120.400 0.014 0.000 2.417 113 D HA 0.103 4.742 4.640 -0.000 0.000 0.250 113 D C -1.676 174.611 176.300 -0.022 0.000 1.166 113 D CA -1.112 52.881 54.000 -0.012 0.000 0.881 113 D CB 1.217 41.997 40.800 -0.033 0.000 1.164 113 D HN 0.391 nan 8.370 nan 0.000 0.467 114 P HA -0.222 nan 4.420 nan 0.000 0.216 114 P C 1.028 178.314 177.300 -0.022 0.000 1.154 114 P CA 1.472 64.563 63.100 -0.014 0.000 0.865 114 P CB 0.139 31.832 31.700 -0.012 0.000 0.789 115 K N -0.358 120.024 120.400 -0.029 0.000 2.026 115 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 115 K C 2.004 178.574 176.600 -0.050 0.000 1.048 115 K CA 1.413 57.679 56.287 -0.035 0.000 0.929 115 K CB -0.580 31.899 32.500 -0.034 0.000 0.713 115 K HN 0.038 nan 8.250 nan 0.000 0.439 116 I N 0.687 121.210 120.570 -0.078 0.000 2.202 116 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 116 I C 2.481 178.559 176.117 -0.065 0.000 1.091 116 I CA 1.111 62.340 61.300 -0.118 0.000 1.368 116 I CB -0.419 37.429 38.000 -0.254 0.000 1.058 116 I HN 0.253 nan 8.210 nan 0.000 0.410 117 A N 1.077 123.876 122.820 -0.035 0.000 1.908 117 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 117 A C 2.066 179.649 177.584 -0.002 0.000 1.181 117 A CA 2.290 54.326 52.037 -0.001 0.000 0.627 117 A CB -0.776 18.231 19.000 0.013 0.000 0.818 117 A HN 0.406 nan 8.150 nan 0.000 0.445 118 N N 0.281 118.974 118.700 -0.012 0.000 2.058 118 N HA -0.085 4.655 4.740 -0.000 0.000 0.191 118 N C 1.919 177.421 175.510 -0.014 0.000 1.037 118 N CA 1.765 54.808 53.050 -0.010 0.000 0.848 118 N CB -0.661 37.818 38.487 -0.013 0.000 1.021 118 N HN 0.451 nan 8.380 nan 0.000 0.422 119 A N 1.102 123.909 122.820 -0.022 0.000 1.883 119 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 119 A C 2.315 179.885 177.584 -0.024 0.000 1.186 119 A CA 1.214 53.234 52.037 -0.028 0.000 0.624 119 A CB -0.862 18.116 19.000 -0.036 0.000 0.822 119 A HN 0.274 nan 8.150 nan 0.000 0.444 120 I N -0.920 119.642 120.570 -0.013 0.000 2.208 120 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 120 I C 2.719 178.842 176.117 0.010 0.000 1.097 120 I CA 1.825 63.129 61.300 0.006 0.000 1.363 120 I CB -0.374 37.645 38.000 0.031 0.000 1.051 120 I HN 0.362 nan 8.210 nan 0.000 0.413 121 M N 0.181 119.786 119.600 0.009 0.000 2.159 121 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 121 M C 2.216 178.516 176.300 0.000 0.000 1.063 121 M CA 1.882 57.188 55.300 0.009 0.000 1.110 121 M CB -0.335 32.270 32.600 0.008 0.000 1.374 121 M HN 0.070 nan 8.290 nan 0.000 0.411 122 K N 0.255 120.649 120.400 -0.010 0.000 2.062 122 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 122 K C 2.198 178.781 176.600 -0.027 0.000 1.051 122 K CA 1.290 57.568 56.287 -0.016 0.000 0.941 122 K CB -0.311 32.177 32.500 -0.021 0.000 0.719 122 K HN 0.271 nan 8.250 nan 0.000 0.440 123 A N 1.810 124.605 122.820 -0.042 0.000 1.865 123 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 123 A C 2.438 180.007 177.584 -0.025 0.000 1.191 123 A CA 2.093 54.089 52.037 -0.067 0.000 0.623 123 A CB -0.979 17.968 19.000 -0.089 0.000 0.826 123 A HN 0.333 nan 8.150 nan 0.000 0.444 124 A N -0.280 122.542 122.820 0.003 0.000 1.940 124 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 124 A C 1.757 179.355 177.584 0.024 0.000 1.176 124 A CA 2.097 54.153 52.037 0.031 0.000 0.631 124 A CB -0.693 18.331 19.000 0.040 0.000 0.814 124 A HN 0.479 nan 8.150 nan 0.000 0.446 125 D N -0.243 120.163 120.400 0.011 0.000 2.117 125 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 125 D C 1.952 178.261 176.300 0.015 0.000 0.987 125 D CA 1.472 55.477 54.000 0.009 0.000 0.829 125 D CB -0.339 40.464 40.800 0.004 0.000 0.961 125 D HN 0.663 nan 8.370 nan 0.000 0.460 126 E N -0.060 120.147 120.200 0.012 0.000 2.150 126 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 126 E C 2.205 178.838 176.600 0.055 0.000 0.985 126 E CA 0.419 56.834 56.400 0.024 0.000 0.814 126 E CB 0.194 29.893 29.700 -0.001 0.000 0.752 126 E HN 0.107 nan 8.360 nan 0.000 0.466 127 V N 1.439 121.391 119.914 0.064 0.000 2.270 127 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 127 V C 2.374 178.486 176.094 0.030 0.000 1.043 127 V CA 1.865 64.219 62.300 0.091 0.000 1.014 127 V CB -0.720 31.173 31.823 0.116 0.000 0.645 127 V HN 0.315 nan 8.190 nan 0.000 0.447 128 A N -0.408 122.423 122.820 0.019 0.000 1.978 128 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 128 A C 2.025 179.614 177.584 0.009 0.000 1.170 128 A CA 1.946 53.985 52.037 0.002 0.000 0.636 128 A CB -0.461 18.540 19.000 0.001 0.000 0.810 128 A HN 0.663 nan 8.150 nan 0.000 0.448 129 E N -1.527 118.686 120.200 0.022 0.000 2.489 129 E HA 0.289 4.639 4.350 -0.000 0.000 0.193 129 E C 0.991 177.613 176.600 0.037 0.000 1.057 129 E CA 0.225 56.641 56.400 0.027 0.000 0.866 129 E CB -0.106 29.611 29.700 0.027 0.000 0.916 129 E HN 0.726 nan 8.360 nan 0.000 0.500 130 G N 2.013 110.839 108.800 0.043 0.000 2.160 130 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.251 130 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.251 130 G C 0.738 175.692 174.900 0.090 0.000 1.008 130 G CA 0.658 45.793 45.100 0.059 0.000 0.724 130 G HN 0.264 nan 8.290 nan 0.000 0.514 131 K N -0.863 119.598 120.400 0.102 0.000 2.365 131 K HA 0.372 4.692 4.320 -0.000 0.000 0.197 131 K C 1.619 178.337 176.600 0.196 0.000 1.042 131 K CA 0.561 56.921 56.287 0.121 0.000 0.987 131 K CB 0.194 32.747 32.500 0.088 0.000 0.779 131 K HN 0.470 nan 8.250 nan 0.000 0.484 132 L N 0.795 122.177 121.223 0.266 0.000 3.267 132 L HA 0.164 4.504 4.340 -0.000 0.000 0.289 132 L C 0.491 177.708 176.870 0.579 0.000 1.260 132 L CA -0.312 54.800 54.840 0.454 0.000 1.034 132 L CB 0.312 42.591 42.059 0.367 0.000 1.413 132 L HN 0.031 nan 8.230 nan 0.000 0.594 133 N N 0.604 119.529 118.700 0.376 0.000 2.205 133 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 133 N C 0.999 176.705 175.510 0.326 0.000 1.015 133 N CA 1.300 54.562 53.050 0.352 0.000 0.862 133 N CB 0.038 38.626 38.487 0.169 0.000 0.986 133 N HN 0.293 nan 8.380 nan 0.000 0.429 134 D N 0.098 120.586 120.400 0.148 0.000 2.392 134 D HA -0.084 4.556 4.640 -0.000 0.000 0.228 134 D C 0.655 176.813 176.300 -0.236 0.000 1.003 134 D CA 0.668 54.632 54.000 -0.059 0.000 0.917 134 D CB -0.195 40.487 40.800 -0.197 0.000 0.890 134 D HN 0.490 nan 8.370 nan 0.000 0.532 135 H N -1.039 118.107 119.070 0.126 0.000 2.519 135 H HA 0.149 4.705 4.556 -0.000 0.000 0.289 135 H C -0.284 174.836 175.328 -0.346 0.000 1.040 135 H CA 0.039 56.052 56.048 -0.057 0.000 1.165 135 H CB -0.151 29.508 29.762 -0.171 0.000 1.462 135 H HN 0.063 nan 8.280 nan 0.000 0.555 136 F N 1.964 122.024 119.950 0.182 0.000 2.691 136 F HA 0.263 4.790 4.527 -0.000 0.000 0.371 136 F C -1.930 173.870 175.800 -0.001 0.000 1.159 136 F CA -1.753 56.287 58.000 0.067 0.000 1.174 136 F CB 2.021 41.052 39.000 0.052 0.000 1.419 136 F HN -0.063 nan 8.300 nan 0.000 0.514 137 P HA 0.094 nan 4.420 nan 0.000 0.261 137 P C 0.056 177.341 177.300 -0.024 0.000 1.268 137 P CA 0.495 63.586 63.100 -0.015 0.000 0.833 137 P CB 0.754 32.388 31.700 -0.109 0.000 1.231 138 L N 1.150 122.356 121.223 -0.027 0.000 2.417 138 L HA 0.216 4.556 4.340 -0.000 0.000 0.268 138 L C 1.124 177.970 176.870 -0.039 0.000 1.158 138 L CA -0.863 53.949 54.840 -0.047 0.000 0.819 138 L CB 1.035 43.047 42.059 -0.078 0.000 1.112 138 L HN -0.183 nan 8.230 nan 0.000 0.458 139 V N 1.212 121.099 119.914 -0.045 0.000 3.036 139 V HA 0.212 4.332 4.120 -0.000 0.000 0.308 139 V C 1.158 177.100 176.094 -0.253 0.000 1.070 139 V CA -0.692 61.562 62.300 -0.076 0.000 1.056 139 V CB 1.628 33.493 31.823 0.071 0.000 1.084 139 V HN 0.573 nan 8.190 nan 0.000 0.471 140 V N 0.780 120.400 119.914 -0.489 0.000 2.392 140 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 140 V C 1.254 176.844 176.094 -0.840 0.000 1.059 140 V CA 1.942 63.760 62.300 -0.804 0.000 1.051 140 V CB -0.862 30.188 31.823 -1.288 0.000 0.658 140 V HN 0.979 nan 8.190 nan 0.000 0.455 141 W N 2.025 123.285 121.300 -0.066 0.000 1.496 141 W HA 0.427 5.087 4.660 -0.000 0.000 0.422 141 W C 0.827 177.275 176.519 -0.118 0.000 0.638 141 W CA -0.663 56.647 57.345 -0.059 0.000 2.105 141 W CB -0.692 28.774 29.460 0.010 0.000 1.639 141 W HN 0.400 nan 8.180 nan 0.000 0.304 142 Q N -1.121 118.507 119.800 -0.287 0.000 3.226 142 Q HA 0.500 4.840 4.340 -0.000 0.000 0.276 142 Q C 0.185 175.787 176.000 -0.663 0.000 1.029 142 Q CA -1.129 54.191 55.803 -0.804 0.000 0.854 142 Q CB 0.371 28.670 28.738 -0.731 0.000 1.567 142 Q HN -0.112 nan 8.270 nan 0.000 0.481 143 T N -0.734 113.365 114.554 -0.759 0.000 2.923 143 T HA 0.052 4.402 4.350 -0.000 0.000 0.304 143 T C 1.152 175.639 174.700 -0.354 0.000 1.044 143 T CA 0.756 62.621 62.100 -0.392 0.000 1.141 143 T CB 0.026 68.712 68.868 -0.304 0.000 1.023 143 T HN 0.676 nan 8.240 nan 0.000 0.533 144 G N 2.294 110.934 108.800 -0.267 0.000 2.679 144 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 144 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 144 G C 1.505 176.248 174.900 -0.262 0.000 1.137 144 G CA 0.605 45.534 45.100 -0.284 0.000 0.787 144 G HN 0.849 nan 8.290 nan 0.000 0.534 145 S N -1.056 114.494 115.700 -0.250 0.000 2.548 145 S HA 0.356 4.826 4.470 -0.000 0.000 0.215 145 S C 1.828 176.144 174.600 -0.474 0.000 0.976 145 S CA 0.837 58.903 58.200 -0.224 0.000 0.908 145 S CB 0.113 63.260 63.200 -0.089 0.000 0.781 145 S HN 1.311 nan 8.310 nan 0.000 0.519 146 G N 1.091 109.468 108.800 -0.704 0.000 2.168 146 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.257 146 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.257 146 G C 0.689 175.407 174.900 -0.304 0.000 0.997 146 G CA 0.690 45.240 45.100 -0.917 0.000 0.708 146 G HN 0.486 nan 8.290 nan 0.000 0.520 147 T N 0.091 114.523 114.554 -0.204 0.000 2.699 147 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 147 T C 2.328 176.965 174.700 -0.104 0.000 1.036 147 T CA 2.087 64.135 62.100 -0.086 0.000 1.147 147 T CB -0.173 68.648 68.868 -0.078 0.000 0.862 147 T HN 0.641 nan 8.240 nan 0.000 0.446 148 Q N 0.076 119.769 119.800 -0.178 0.000 2.124 148 Q HA -0.067 4.272 4.340 -0.000 0.000 0.202 148 Q C 2.604 178.520 176.000 -0.140 0.000 0.977 148 Q CA 1.433 57.136 55.803 -0.167 0.000 0.850 148 Q CB -0.258 28.336 28.738 -0.240 0.000 0.901 148 Q HN 0.402 nan 8.270 nan 0.000 0.429 149 T N 0.551 115.018 114.554 -0.144 0.000 2.812 149 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 149 T C 1.539 176.060 174.700 -0.299 0.000 1.042 149 T CA 1.236 63.252 62.100 -0.139 0.000 1.140 149 T CB -0.301 68.549 68.868 -0.029 0.000 0.870 149 T HN 0.274 nan 8.240 nan 0.000 0.445 150 N N 0.993 119.549 118.700 -0.241 0.000 2.061 150 N HA -0.120 4.620 4.740 -0.000 0.000 0.193 150 N C 1.748 177.183 175.510 -0.126 0.000 1.030 150 N CA 1.491 54.403 53.050 -0.229 0.000 0.856 150 N CB -0.240 38.299 38.487 0.086 0.000 1.023 150 N HN 0.129 nan 8.380 nan 0.000 0.424 151 M N 0.358 119.915 119.600 -0.071 0.000 2.200 151 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 151 M C 1.929 178.214 176.300 -0.026 0.000 1.066 151 M CA 0.950 56.231 55.300 -0.031 0.000 1.127 151 M CB -1.641 30.942 32.600 -0.028 0.000 1.379 151 M HN 0.355 nan 8.290 nan 0.000 0.420 152 N N 0.057 118.733 118.700 -0.040 0.000 2.061 152 N HA -0.163 4.577 4.740 -0.000 0.000 0.193 152 N C 1.583 177.145 175.510 0.087 0.000 1.030 152 N CA 1.548 54.599 53.050 0.001 0.000 0.856 152 N CB 0.277 38.794 38.487 0.050 0.000 1.023 152 N HN 0.086 nan 8.380 nan 0.000 0.424 153 V N 1.450 121.428 119.914 0.105 0.000 2.295 153 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 153 V C 1.911 178.063 176.094 0.097 0.000 1.049 153 V CA 1.499 63.898 62.300 0.164 0.000 1.024 153 V CB -0.711 31.028 31.823 -0.140 0.000 0.648 153 V HN 0.431 nan 8.190 nan 0.000 0.447 154 N N 0.213 118.940 118.700 0.045 0.000 2.104 154 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 154 N C 1.863 177.398 175.510 0.041 0.000 1.024 154 N CA 1.608 54.692 53.050 0.057 0.000 0.853 154 N CB -0.247 38.273 38.487 0.054 0.000 1.008 154 N HN 0.613 nan 8.380 nan 0.000 0.424 155 E N 0.177 120.394 120.200 0.027 0.000 2.046 155 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 155 E C 2.015 178.621 176.600 0.009 0.000 0.982 155 E CA 0.613 57.025 56.400 0.020 0.000 0.800 155 E CB 0.085 29.807 29.700 0.036 0.000 0.756 155 E HN 0.031 nan 8.360 nan 0.000 0.449 156 V N 1.416 121.322 119.914 -0.012 0.000 2.343 156 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 156 V C 2.200 178.234 176.094 -0.099 0.000 1.051 156 V CA 1.518 63.773 62.300 -0.075 0.000 1.036 156 V CB -0.309 31.376 31.823 -0.230 0.000 0.654 156 V HN 0.270 nan 8.190 nan 0.000 0.451 157 I N -0.068 120.491 120.570 -0.019 0.000 2.353 157 I HA -0.199 3.970 4.170 -0.000 0.000 0.248 157 I C 2.714 178.804 176.117 -0.044 0.000 1.119 157 I CA 1.604 62.884 61.300 -0.032 0.000 1.417 157 I CB -0.415 37.607 38.000 0.037 0.000 1.078 157 I HN 0.379 nan 8.210 nan 0.000 0.421 158 S N 1.309 117.005 115.700 -0.007 0.000 2.359 158 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 158 S C 1.915 176.504 174.600 -0.018 0.000 1.035 158 S CA 1.805 60.009 58.200 0.007 0.000 1.018 158 S CB -0.280 62.930 63.200 0.016 0.000 0.876 158 S HN 0.409 nan 8.310 nan 0.000 0.448 159 N N 0.946 119.629 118.700 -0.028 0.000 2.171 159 N HA -0.006 4.734 4.740 -0.000 0.000 0.184 159 N C 1.954 177.423 175.510 -0.068 0.000 1.021 159 N CA 0.957 54.011 53.050 0.008 0.000 0.854 159 N CB -0.534 38.014 38.487 0.101 0.000 0.994 159 N HN 0.350 nan 8.380 nan 0.000 0.426 160 R N 1.546 121.846 120.500 -0.334 0.000 2.096 160 R HA 0.067 4.407 4.340 -0.000 0.000 0.235 160 R C 1.886 178.058 176.300 -0.214 0.000 1.127 160 R CA 1.498 57.280 56.100 -0.530 0.000 0.968 160 R CB -0.795 29.048 30.300 -0.761 0.000 0.861 160 R HN 0.176 nan 8.270 nan 0.000 0.440 161 A N 0.192 122.931 122.820 -0.135 0.000 1.930 161 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 161 A C 2.284 179.843 177.584 -0.042 0.000 1.175 161 A CA 1.444 53.438 52.037 -0.071 0.000 0.627 161 A CB -0.510 18.463 19.000 -0.044 0.000 0.815 161 A HN 0.352 nan 8.150 nan 0.000 0.443 162 I N -0.568 119.987 120.570 -0.026 0.000 2.179 162 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 162 I C 2.583 178.703 176.117 0.005 0.000 1.088 162 I CA 1.849 63.148 61.300 -0.002 0.000 1.357 162 I CB -0.293 37.717 38.000 0.016 0.000 1.051 162 I HN 0.541 nan 8.210 nan 0.000 0.409 163 E N 1.066 121.274 120.200 0.013 0.000 2.077 163 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 163 E C 2.342 178.949 176.600 0.012 0.000 0.989 163 E CA 1.309 57.730 56.400 0.036 0.000 0.800 163 E CB -0.046 29.714 29.700 0.101 0.000 0.746 163 E HN 0.405 nan 8.360 nan 0.000 0.452 164 M N 0.097 119.688 119.600 -0.015 0.000 2.279 164 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 164 M C 1.577 177.871 176.300 -0.011 0.000 1.062 164 M CA 1.087 56.377 55.300 -0.017 0.000 1.099 164 M CB 0.121 32.700 32.600 -0.035 0.000 1.394 164 M HN 0.155 nan 8.290 nan 0.000 0.426 165 L N -0.795 120.422 121.223 -0.010 0.000 2.700 165 L HA 0.283 4.623 4.340 -0.000 0.000 0.234 165 L C 1.111 177.981 176.870 0.000 0.000 1.156 165 L CA -0.226 54.609 54.840 -0.008 0.000 0.946 165 L CB -0.262 41.789 42.059 -0.014 0.000 1.216 165 L HN 0.504 nan 8.230 nan 0.000 0.493 166 G N 0.595 109.398 108.800 0.005 0.000 2.283 166 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 166 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 166 G C 0.565 175.472 174.900 0.012 0.000 1.029 166 G CA 0.166 45.271 45.100 0.010 0.000 0.840 166 G HN 0.515 nan 8.290 nan 0.000 0.505 167 G N -1.349 107.459 108.800 0.014 0.000 2.525 167 G HA2 0.794 4.754 3.960 -0.000 0.000 0.287 167 G HA3 0.794 4.754 3.960 -0.000 0.000 0.287 167 G C 0.002 174.915 174.900 0.021 0.000 1.350 167 G CA 0.565 45.675 45.100 0.018 0.000 1.039 167 G HN 1.307 nan 8.290 nan 0.000 0.513 168 E N -1.645 118.569 120.200 0.024 0.000 2.146 168 E HA 0.618 4.968 4.350 -0.000 0.000 0.282 168 E C 0.411 177.027 176.600 0.027 0.000 0.989 168 E CA -0.340 56.074 56.400 0.023 0.000 0.799 168 E CB 0.477 30.192 29.700 0.024 0.000 1.088 168 E HN 1.706 nan 8.360 nan 0.000 0.397 169 L N 1.173 122.410 121.223 0.024 0.000 2.525 169 L HA 0.538 4.878 4.340 -0.000 0.000 0.278 169 L C 1.996 178.878 176.870 0.020 0.000 1.218 169 L CA 0.880 55.736 54.840 0.026 0.000 0.878 169 L CB -0.586 41.481 42.059 0.014 0.000 1.127 169 L HN 2.126 nan 8.230 nan 0.000 0.492 170 G N 1.266 110.080 108.800 0.023 0.000 2.179 170 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.260 170 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.260 170 G C 1.161 176.094 174.900 0.055 0.000 0.977 170 G CA 1.232 46.350 45.100 0.030 0.000 0.641 170 G HN 2.380 nan 8.290 nan 0.000 0.533 171 S N -0.114 115.614 115.700 0.047 0.000 2.501 171 S HA 0.243 4.713 4.470 -0.000 0.000 0.220 171 S C 1.323 175.947 174.600 0.040 0.000 0.997 171 S CA 1.175 59.408 58.200 0.055 0.000 0.919 171 S CB -0.151 63.077 63.200 0.048 0.000 0.778 171 S HN 0.976 nan 8.310 nan 0.000 0.523 172 K N -0.007 120.400 120.400 0.011 0.000 3.341 172 K HA -0.132 4.188 4.320 -0.000 0.000 0.305 172 K C -0.708 175.946 176.600 0.090 0.000 1.270 172 K CA 0.973 57.248 56.287 -0.020 0.000 0.897 172 K CB -2.018 30.396 32.500 -0.143 0.000 1.264 172 K HN 0.522 nan 8.250 nan 0.000 0.468 173 I N 0.821 121.436 120.570 0.076 0.000 2.499 173 I HA 0.166 4.336 4.170 -0.000 0.000 0.288 173 I C -1.747 174.402 176.117 0.053 0.000 1.048 173 I CA -2.147 59.204 61.300 0.085 0.000 1.062 173 I CB 2.202 40.244 38.000 0.070 0.000 1.238 173 I HN -0.215 nan 8.210 nan 0.000 0.426 174 P HA 0.075 nan 4.420 nan 0.000 0.255 174 P C -0.046 177.288 177.300 0.057 0.000 1.248 174 P CA 0.352 63.481 63.100 0.049 0.000 0.807 174 P CB 0.376 32.073 31.700 -0.005 0.000 1.150 175 V N 2.106 122.073 119.914 0.088 0.000 2.313 175 V HA 0.199 4.319 4.120 -0.000 0.000 0.278 175 V C 0.281 176.556 176.094 0.302 0.000 1.017 175 V CA -0.893 61.504 62.300 0.161 0.000 0.823 175 V CB 0.551 32.402 31.823 0.046 0.000 1.010 175 V HN 0.207 nan 8.190 nan 0.000 0.443 176 H N 8.424 127.784 119.070 0.485 0.000 2.646 176 H HA 0.263 4.819 4.556 -0.000 0.000 0.325 176 H C -1.675 173.711 175.328 0.096 0.000 1.075 176 H CA -1.818 54.322 56.048 0.152 0.000 1.421 176 H CB 2.487 32.204 29.762 -0.076 0.000 1.461 176 H HN 0.320 nan 8.280 nan 0.000 0.525 177 P HA -0.146 nan 4.420 nan 0.000 0.215 177 P C 0.769 178.157 177.300 0.148 0.000 1.153 177 P CA 1.149 64.270 63.100 0.036 0.000 0.853 177 P CB 0.771 32.441 31.700 -0.050 0.000 0.788 178 N N -0.283 118.601 118.700 0.306 0.000 2.245 178 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 178 N C 1.392 176.953 175.510 0.084 0.000 1.036 178 N CA 1.087 54.257 53.050 0.200 0.000 0.857 178 N CB -0.867 37.734 38.487 0.190 0.000 1.015 178 N HN 0.041 nan 8.380 nan 0.000 0.436 179 D N -0.283 120.099 120.400 -0.030 0.000 2.219 179 D HA -0.066 4.573 4.640 -0.000 0.000 0.205 179 D C 1.267 177.393 176.300 -0.290 0.000 0.970 179 D CA 1.159 54.966 54.000 -0.321 0.000 0.851 179 D CB 0.007 40.407 40.800 -0.666 0.000 0.943 179 D HN 0.541 nan 8.370 nan 0.000 0.488 180 H N -1.083 118.047 119.070 0.099 0.000 2.348 180 H HA 0.158 4.714 4.556 -0.000 0.000 0.306 180 H C 2.164 177.538 175.328 0.077 0.000 1.034 180 H CA 0.048 56.142 56.048 0.077 0.000 1.395 180 H CB 0.173 29.986 29.762 0.084 0.000 1.495 180 H HN -0.169 nan 8.280 nan 0.000 0.616 181 V N 1.237 121.278 119.914 0.212 0.000 2.490 181 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 181 V C 1.229 177.400 176.094 0.128 0.000 1.061 181 V CA 1.862 64.251 62.300 0.149 0.000 1.064 181 V CB -0.353 31.543 31.823 0.122 0.000 0.670 181 V HN 0.392 nan 8.190 nan 0.000 0.461 182 N N -0.062 118.703 118.700 0.108 0.000 2.238 182 N HA 0.079 4.819 4.740 -0.000 0.000 0.222 182 N C 0.470 176.002 175.510 0.037 0.000 1.133 182 N CA -0.076 53.026 53.050 0.086 0.000 0.854 182 N CB -0.017 38.518 38.487 0.081 0.000 1.041 182 N HN 0.406 nan 8.380 nan 0.000 0.510 183 K N 0.674 121.092 120.400 0.031 0.000 2.451 183 K HA -0.023 4.297 4.320 -0.000 0.000 0.280 183 K C 0.197 176.703 176.600 -0.158 0.000 1.020 183 K CA 0.900 57.163 56.287 -0.040 0.000 1.008 183 K CB 0.175 32.681 32.500 0.011 0.000 0.917 183 K HN 0.330 nan 8.250 nan 0.000 0.478 184 S N 0.783 116.322 115.700 -0.268 0.000 3.380 184 S HA -0.249 4.221 4.470 -0.000 0.000 0.300 184 S C -0.305 174.089 174.600 -0.343 0.000 1.255 184 S CA 1.228 59.127 58.200 -0.503 0.000 0.963 184 S CB -1.833 60.672 63.200 -1.157 0.000 1.106 184 S HN 0.810 nan 8.310 nan 0.000 0.629 185 Q N 0.026 119.756 119.800 -0.116 0.000 2.445 185 Q HA 0.831 5.171 4.340 -0.000 0.000 0.281 185 Q C -0.506 175.508 176.000 0.024 0.000 1.101 185 Q CA -0.516 55.295 55.803 0.013 0.000 0.833 185 Q CB 2.126 30.919 28.738 0.091 0.000 1.416 185 Q HN 0.285 nan 8.270 nan 0.000 0.451 186 S N -0.909 114.826 115.700 0.059 0.000 2.599 186 S HA 0.577 5.047 4.470 -0.000 0.000 0.287 186 S C 0.604 175.266 174.600 0.104 0.000 1.105 186 S CA 0.229 58.467 58.200 0.064 0.000 0.899 186 S CB 1.245 64.475 63.200 0.049 0.000 1.100 186 S HN 0.808 nan 8.310 nan 0.000 0.482 187 S N 2.608 118.371 115.700 0.104 0.000 2.387 187 S HA -0.166 4.303 4.470 -0.000 0.000 0.230 187 S C 1.494 176.182 174.600 0.147 0.000 1.035 187 S CA 2.025 60.310 58.200 0.141 0.000 1.014 187 S CB -0.833 62.417 63.200 0.083 0.000 0.836 187 S HN 0.747 nan 8.310 nan 0.000 0.466 188 N N 1.815 120.575 118.700 0.100 0.000 2.166 188 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 188 N C 1.339 176.908 175.510 0.099 0.000 1.019 188 N CA 1.575 54.683 53.050 0.096 0.000 0.856 188 N CB -0.211 38.321 38.487 0.075 0.000 0.993 188 N HN 0.829 nan 8.380 nan 0.000 0.426 189 D N -0.870 119.578 120.400 0.079 0.000 2.388 189 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 189 D C 1.554 177.871 176.300 0.027 0.000 1.035 189 D CA 0.911 54.939 54.000 0.047 0.000 0.875 189 D CB -0.698 40.120 40.800 0.032 0.000 0.984 189 D HN 0.264 nan 8.370 nan 0.000 0.508 190 T N -2.022 112.574 114.554 0.069 0.000 2.851 190 T HA -0.037 4.313 4.350 -0.000 0.000 0.262 190 T C 1.921 176.543 174.700 -0.130 0.000 1.043 190 T CA 0.386 62.493 62.100 0.011 0.000 1.140 190 T CB -1.002 67.963 68.868 0.162 0.000 0.872 190 T HN 0.063 nan 8.240 nan 0.000 0.446 191 F N 3.521 123.447 119.950 -0.040 0.000 2.102 191 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 191 F C -0.927 174.740 175.800 -0.222 0.000 1.105 191 F CA 0.565 58.519 58.000 -0.076 0.000 1.239 191 F CB -0.849 38.202 39.000 0.086 0.000 0.991 191 F HN 0.167 nan 8.300 nan 0.000 0.474 192 P HA -0.146 nan 4.420 nan 0.000 0.216 192 P C 1.581 178.652 177.300 -0.381 0.000 1.150 192 P CA 2.285 65.267 63.100 -0.197 0.000 0.837 192 P CB -0.231 31.469 31.700 -0.001 0.000 0.786 193 T N -0.511 113.849 114.554 -0.323 0.000 2.701 193 T HA -0.132 4.218 4.350 -0.000 0.000 0.263 193 T C 1.931 176.362 174.700 -0.449 0.000 1.040 193 T CA 1.678 63.575 62.100 -0.338 0.000 1.147 193 T CB -1.073 67.629 68.868 -0.277 0.000 0.865 193 T HN 0.034 nan 8.240 nan 0.000 0.426 194 A N 1.694 124.104 122.820 -0.683 0.000 1.917 194 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 194 A C 2.367 179.609 177.584 -0.570 0.000 1.182 194 A CA 1.860 53.409 52.037 -0.814 0.000 0.633 194 A CB -0.809 17.257 19.000 -1.557 0.000 0.819 194 A HN 0.480 nan 8.150 nan 0.000 0.448 195 M N -1.628 117.625 119.600 -0.578 0.000 2.065 195 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 195 M C 2.192 178.459 176.300 -0.055 0.000 1.069 195 M CA 2.028 57.128 55.300 -0.334 0.000 1.110 195 M CB -0.801 31.628 32.600 -0.285 0.000 1.328 195 M HN 0.596 nan 8.290 nan 0.000 0.405 196 H N -0.238 118.740 119.070 -0.153 0.000 2.357 196 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 196 H C 2.188 177.564 175.328 0.080 0.000 1.082 196 H CA 1.088 57.126 56.048 -0.016 0.000 1.342 196 H CB 0.081 29.867 29.762 0.040 0.000 1.389 196 H HN 0.308 nan 8.280 nan 0.000 0.511 197 I N 0.915 121.504 120.570 0.032 0.000 2.127 197 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 197 I C 2.878 179.036 176.117 0.067 0.000 1.075 197 I CA 1.094 62.363 61.300 -0.051 0.000 1.334 197 I CB -0.337 37.432 38.000 -0.386 0.000 1.040 197 I HN 0.263 nan 8.210 nan 0.000 0.405 198 A N 0.602 123.393 122.820 -0.048 0.000 1.917 198 A HA -0.266 4.053 4.320 -0.000 0.000 0.219 198 A C 2.504 180.107 177.584 0.033 0.000 1.182 198 A CA 2.324 54.345 52.037 -0.028 0.000 0.633 198 A CB -1.020 17.921 19.000 -0.097 0.000 0.819 198 A HN 0.488 nan 8.150 nan 0.000 0.448 199 A N -0.439 122.408 122.820 0.046 0.000 1.873 199 A HA 0.209 4.529 4.320 -0.000 0.000 0.215 199 A C 2.533 180.156 177.584 0.065 0.000 1.186 199 A CA 2.089 54.150 52.037 0.040 0.000 0.616 199 A CB -1.053 17.958 19.000 0.018 0.000 0.823 199 A HN 1.097 nan 8.150 nan 0.000 0.442 200 A N -0.104 122.798 122.820 0.137 0.000 1.902 200 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 200 A C 2.130 179.881 177.584 0.278 0.000 1.181 200 A CA 1.487 53.648 52.037 0.208 0.000 0.623 200 A CB -0.600 18.569 19.000 0.282 0.000 0.818 200 A HN 0.488 nan 8.150 nan 0.000 0.443 201 I N -0.902 119.801 120.570 0.222 0.000 2.226 201 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 201 I C 2.570 178.768 176.117 0.134 0.000 1.100 201 I CA 1.789 63.191 61.300 0.170 0.000 1.374 201 I CB -0.285 37.787 38.000 0.121 0.000 1.057 201 I HN 0.356 nan 8.210 nan 0.000 0.413 202 E N 0.677 120.932 120.200 0.093 0.000 2.077 202 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 202 E C 2.160 178.785 176.600 0.043 0.000 0.989 202 E CA 1.233 57.668 56.400 0.057 0.000 0.800 202 E CB -0.078 29.645 29.700 0.038 0.000 0.746 202 E HN 0.226 nan 8.360 nan 0.000 0.452 203 V N 0.666 120.598 119.914 0.030 0.000 2.295 203 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 203 V C 2.216 178.262 176.094 -0.080 0.000 1.049 203 V CA 2.140 64.409 62.300 -0.051 0.000 1.024 203 V CB -0.619 31.132 31.823 -0.119 0.000 0.648 203 V HN 0.440 nan 8.190 nan 0.000 0.447 204 H N -0.084 118.994 119.070 0.013 0.000 2.395 204 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 204 H C 2.280 177.618 175.328 0.016 0.000 1.070 204 H CA 1.675 57.733 56.048 0.017 0.000 1.356 204 H CB 0.301 30.079 29.762 0.026 0.000 1.401 204 H HN 0.568 nan 8.280 nan 0.000 0.524 205 E N 0.008 120.289 120.200 0.134 0.000 2.276 205 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 205 E C 1.770 178.400 176.600 0.050 0.000 0.983 205 E CA 0.328 56.777 56.400 0.082 0.000 0.861 205 E CB 0.763 30.507 29.700 0.073 0.000 0.817 205 E HN 0.116 nan 8.360 nan 0.000 0.485 206 V N 0.283 120.220 119.914 0.039 0.000 3.001 206 V HA -0.055 4.065 4.120 -0.000 0.000 0.228 206 V C 1.804 177.904 176.094 0.010 0.000 1.204 206 V CA 0.199 62.514 62.300 0.025 0.000 1.247 206 V CB -0.235 31.603 31.823 0.025 0.000 1.093 206 V HN 0.105 nan 8.190 nan 0.000 0.504 207 L N 0.382 121.602 121.223 -0.005 0.000 1.976 207 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 207 L C 2.196 179.051 176.870 -0.024 0.000 1.071 207 L CA 2.099 56.927 54.840 -0.020 0.000 0.746 207 L CB -0.675 41.361 42.059 -0.037 0.000 0.890 207 L HN 0.208 nan 8.230 nan 0.000 0.432 208 L N -0.617 120.578 121.223 -0.047 0.000 2.056 208 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 208 L C -0.156 176.705 176.870 -0.016 0.000 1.078 208 L CA 1.131 55.940 54.840 -0.052 0.000 0.749 208 L CB -1.823 40.172 42.059 -0.107 0.000 0.901 208 L HN 0.265 nan 8.230 nan 0.000 0.433 209 P HA -0.119 nan 4.420 nan 0.000 0.218 209 P C 1.561 178.878 177.300 0.027 0.000 1.149 209 P CA 1.571 64.681 63.100 0.018 0.000 0.817 209 P CB -0.168 31.548 31.700 0.025 0.000 0.785 210 G N 0.032 108.847 108.800 0.025 0.000 2.421 210 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 210 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 210 G C 1.496 176.425 174.900 0.048 0.000 1.171 210 G CA 0.512 45.633 45.100 0.035 0.000 0.775 210 G HN 0.220 nan 8.290 nan 0.000 0.543 211 L N -0.148 121.097 121.223 0.037 0.000 2.083 211 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 211 L C 2.952 179.871 176.870 0.082 0.000 1.083 211 L CA 1.338 56.210 54.840 0.054 0.000 0.752 211 L CB -0.346 41.729 42.059 0.027 0.000 0.899 211 L HN 0.257 nan 8.230 nan 0.000 0.433 212 Q N 0.708 120.542 119.800 0.056 0.000 2.084 212 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 212 Q C 2.102 178.169 176.000 0.113 0.000 0.978 212 Q CA 1.721 57.567 55.803 0.072 0.000 0.844 212 Q CB 0.006 28.761 28.738 0.029 0.000 0.898 212 Q HN 0.279 nan 8.270 nan 0.000 0.426 213 K N -0.408 120.040 120.400 0.080 0.000 2.044 213 K HA -0.191 4.128 4.320 -0.000 0.000 0.210 213 K C 2.001 178.652 176.600 0.085 0.000 1.049 213 K CA 1.491 57.821 56.287 0.072 0.000 0.927 213 K CB -0.375 32.157 32.500 0.054 0.000 0.713 213 K HN 0.218 nan 8.250 nan 0.000 0.443 214 L N 0.900 122.185 121.223 0.104 0.000 2.056 214 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 214 L C 2.462 179.401 176.870 0.115 0.000 1.078 214 L CA 1.760 56.669 54.840 0.115 0.000 0.749 214 L CB -0.668 41.478 42.059 0.144 0.000 0.901 214 L HN 0.308 nan 8.230 nan 0.000 0.433 215 H N -0.297 118.807 119.070 0.057 0.000 2.267 215 H HA -0.184 4.371 4.556 -0.000 0.000 0.297 215 H C 1.559 176.914 175.328 0.045 0.000 1.080 215 H CA 2.265 58.343 56.048 0.051 0.000 1.278 215 H CB -0.088 29.695 29.762 0.035 0.000 1.365 215 H HN 0.372 nan 8.280 nan 0.000 0.489 216 D N 0.694 121.150 120.400 0.093 0.000 2.123 216 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 216 D C 2.305 178.575 176.300 -0.050 0.000 0.992 216 D CA 1.350 55.366 54.000 0.027 0.000 0.833 216 D CB -0.586 40.277 40.800 0.105 0.000 0.954 216 D HN 0.514 nan 8.370 nan 0.000 0.455 217 A N 0.588 123.397 122.820 -0.018 0.000 1.898 217 A HA -0.092 4.227 4.320 -0.000 0.000 0.216 217 A C 2.383 179.952 177.584 -0.025 0.000 1.181 217 A CA 0.834 52.854 52.037 -0.029 0.000 0.620 217 A CB -0.783 18.208 19.000 -0.014 0.000 0.819 217 A HN 0.194 nan 8.150 nan 0.000 0.442 218 L N -0.647 120.584 121.223 0.014 0.000 2.083 218 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 218 L C 2.356 179.251 176.870 0.042 0.000 1.083 218 L CA 1.736 56.650 54.840 0.122 0.000 0.752 218 L CB -0.516 41.633 42.059 0.150 0.000 0.899 218 L HN 0.404 nan 8.230 nan 0.000 0.433 219 D N -0.155 120.171 120.400 -0.124 0.000 2.117 219 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 219 D C 2.182 178.408 176.300 -0.123 0.000 0.982 219 D CA 1.217 55.123 54.000 -0.156 0.000 0.828 219 D CB 0.143 40.769 40.800 -0.290 0.000 0.967 219 D HN 0.234 nan 8.370 nan 0.000 0.464 220 A N 0.580 123.324 122.820 -0.128 0.000 1.908 220 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 220 A C 2.131 179.561 177.584 -0.257 0.000 1.181 220 A CA 1.318 53.264 52.037 -0.152 0.000 0.627 220 A CB -0.405 18.519 19.000 -0.126 0.000 0.818 220 A HN 0.066 nan 8.150 nan 0.000 0.445 221 K N -0.247 119.974 120.400 -0.299 0.000 2.057 221 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 221 K C 2.417 178.613 176.600 -0.672 0.000 1.050 221 K CA 1.276 57.185 56.287 -0.631 0.000 0.935 221 K CB -0.670 31.531 32.500 -0.498 0.000 0.715 221 K HN 0.466 nan 8.250 nan 0.000 0.439 222 S N 1.232 116.784 115.700 -0.247 0.000 2.365 222 S HA -0.179 4.290 4.470 -0.000 0.000 0.225 222 S C 1.837 176.357 174.600 -0.135 0.000 1.039 222 S CA 1.613 59.758 58.200 -0.092 0.000 1.033 222 S CB 0.029 63.237 63.200 0.013 0.000 0.887 222 S HN 0.270 nan 8.310 nan 0.000 0.447 223 K N 0.520 120.824 120.400 -0.159 0.000 2.026 223 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 223 K C 2.359 178.864 176.600 -0.157 0.000 1.048 223 K CA 1.519 57.731 56.287 -0.126 0.000 0.929 223 K CB -0.253 32.181 32.500 -0.109 0.000 0.713 223 K HN 0.513 nan 8.250 nan 0.000 0.439 224 E N 0.064 120.086 120.200 -0.296 0.000 2.110 224 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 224 E C 0.758 177.262 176.600 -0.161 0.000 0.988 224 E CA 1.014 57.222 56.400 -0.320 0.000 0.804 224 E CB 0.111 29.472 29.700 -0.564 0.000 0.745 224 E HN 0.183 nan 8.360 nan 0.000 0.458 225 F N -0.195 119.662 119.950 -0.156 0.000 2.664 225 F HA 0.330 4.857 4.527 -0.000 0.000 0.301 225 F C 1.646 177.392 175.800 -0.090 0.000 1.126 225 F CA 0.005 57.916 58.000 -0.148 0.000 1.373 225 F CB -0.576 38.272 39.000 -0.252 0.000 1.042 225 F HN 0.026 nan 8.300 nan 0.000 0.535 226 A N -0.267 122.595 122.820 0.069 0.000 1.978 226 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 226 A C 2.050 179.658 177.584 0.041 0.000 1.170 226 A CA 1.446 53.506 52.037 0.040 0.000 0.636 226 A CB -0.421 18.583 19.000 0.007 0.000 0.810 226 A HN 0.438 nan 8.150 nan 0.000 0.448 227 Q N -0.970 118.857 119.800 0.044 0.000 2.319 227 Q HA 0.307 4.647 4.340 -0.000 0.000 0.202 227 Q C -0.591 175.426 176.000 0.029 0.000 0.896 227 Q CA -0.187 55.635 55.803 0.031 0.000 0.942 227 Q CB 0.376 29.128 28.738 0.025 0.000 1.083 227 Q HN 0.633 nan 8.270 nan 0.000 0.510 228 I N 1.991 122.582 120.570 0.034 0.000 2.301 228 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 228 I C -0.217 175.900 176.117 0.001 0.000 1.046 228 I CA -0.353 60.949 61.300 0.004 0.000 1.282 228 I CB 0.761 38.737 38.000 -0.039 0.000 1.409 228 I HN -0.028 nan 8.210 nan 0.000 0.484 229 I N 7.735 128.307 120.570 0.004 0.000 2.353 229 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 229 I C 0.079 176.200 176.117 0.008 0.000 0.992 229 I CA -0.527 60.781 61.300 0.012 0.000 1.268 229 I CB 0.966 38.978 38.000 0.020 0.000 1.387 229 I HN 0.639 nan 8.210 nan 0.000 0.478 230 K N 5.572 125.979 120.400 0.013 0.000 2.409 230 K HA 0.700 5.020 4.320 -0.000 0.000 0.252 230 K C -1.033 175.583 176.600 0.027 0.000 1.036 230 K CA -0.964 55.333 56.287 0.016 0.000 0.871 230 K CB 1.916 34.423 32.500 0.011 0.000 1.374 230 K HN 0.356 nan 8.250 nan 0.000 0.459 231 I N 2.053 122.642 120.570 0.032 0.000 2.312 231 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 231 I C 0.707 176.846 176.117 0.037 0.000 1.031 231 I CA -0.315 61.007 61.300 0.037 0.000 1.293 231 I CB 1.148 39.173 38.000 0.042 0.000 1.403 231 I HN 0.821 nan 8.210 nan 0.000 0.484 232 G N 6.339 115.159 108.800 0.033 0.000 2.559 232 G HA2 0.228 4.188 3.960 -0.000 0.000 0.235 232 G HA3 0.228 4.188 3.960 -0.000 0.000 0.235 232 G C -0.178 174.742 174.900 0.034 0.000 1.266 232 G CA -0.415 44.703 45.100 0.030 0.000 0.847 232 G HN 0.624 nan 8.290 nan 0.000 0.583 233 R N -0.072 120.445 120.500 0.029 0.000 2.532 233 R HA 0.513 4.853 4.340 -0.000 0.000 0.297 233 R C -0.693 175.618 176.300 0.018 0.000 0.984 233 R CA -0.579 55.539 56.100 0.030 0.000 0.884 233 R CB 2.112 32.426 30.300 0.025 0.000 1.182 233 R HN 0.718 nan 8.270 nan 0.000 0.442 234 T N -0.803 113.778 114.554 0.045 0.000 2.879 234 T HA 0.278 4.628 4.350 -0.000 0.000 0.290 234 T C 0.273 175.058 174.700 0.142 0.000 0.993 234 T CA -0.709 61.411 62.100 0.034 0.000 0.975 234 T CB 0.952 69.871 68.868 0.086 0.000 0.981 234 T HN 0.872 nan 8.240 nan 0.000 0.439 235 H N 1.845 120.904 119.070 -0.018 0.000 3.047 235 H HA -0.289 4.267 4.556 -0.000 0.000 0.263 235 H C 1.372 176.683 175.328 -0.029 0.000 1.168 235 H CA 1.889 57.924 56.048 -0.022 0.000 1.152 235 H CB -2.277 27.477 29.762 -0.014 0.000 1.278 235 H HN 1.596 nan 8.280 nan 0.000 0.339 236 T N -3.403 111.177 114.554 0.044 0.000 6.974 236 T HA -0.267 4.083 4.350 -0.000 0.000 0.287 236 T C 0.302 175.026 174.700 0.041 0.000 2.146 236 T CA 1.778 63.885 62.100 0.013 0.000 3.451 236 T CB -0.889 67.963 68.868 -0.026 0.000 1.630 236 T HN 0.560 nan 8.240 nan 0.000 1.173 237 Q N 1.895 121.738 119.800 0.071 0.000 2.260 237 Q HA 0.425 4.765 4.340 -0.000 0.000 0.242 237 Q C -0.138 175.897 176.000 0.058 0.000 0.932 237 Q CA -0.455 55.384 55.803 0.061 0.000 0.891 237 Q CB 0.694 29.467 28.738 0.057 0.000 1.222 237 Q HN 0.548 nan 8.270 nan 0.000 0.453 238 D N 0.809 121.240 120.400 0.053 0.000 2.493 238 D HA 0.136 4.776 4.640 -0.000 0.000 0.240 238 D C 0.152 176.482 176.300 0.050 0.000 1.142 238 D CA 0.310 54.340 54.000 0.051 0.000 0.872 238 D CB 0.871 41.703 40.800 0.054 0.000 1.173 238 D HN 0.581 nan 8.370 nan 0.000 0.467 239 A N 2.476 125.325 122.820 0.048 0.000 2.899 239 A HA 0.640 4.960 4.320 -0.000 0.000 0.209 239 A C 0.137 177.745 177.584 0.040 0.000 2.128 239 A CA 0.320 52.385 52.037 0.046 0.000 1.768 239 A CB 0.065 19.094 19.000 0.047 0.000 1.238 239 A HN 0.499 nan 8.150 nan 0.000 0.375 240 V N -3.982 115.953 119.914 0.036 0.000 3.130 240 V HA 0.678 4.797 4.120 -0.000 0.000 0.310 240 V C -3.247 172.866 176.094 0.031 0.000 1.158 240 V CA -2.708 59.612 62.300 0.033 0.000 1.029 240 V CB 1.190 33.030 31.823 0.028 0.000 1.057 240 V HN 0.394 nan 8.190 nan 0.000 0.436 241 P HA 0.500 nan 4.420 nan 0.000 0.269 241 P C -0.733 176.580 177.300 0.023 0.000 1.215 241 P CA -0.075 63.042 63.100 0.029 0.000 0.780 241 P CB 0.432 32.150 31.700 0.030 0.000 0.898 242 L N -1.451 119.785 121.223 0.022 0.000 2.568 242 L HA 0.743 5.083 4.340 -0.000 0.000 0.257 242 L C -0.504 176.379 176.870 0.023 0.000 1.024 242 L CA -0.995 53.856 54.840 0.018 0.000 0.854 242 L CB 1.953 44.018 42.059 0.011 0.000 1.460 242 L HN 0.344 nan 8.230 nan 0.000 0.409 243 T N -1.022 113.547 114.554 0.024 0.000 2.882 243 T HA 0.266 4.616 4.350 -0.000 0.000 0.287 243 T C 0.875 175.606 174.700 0.052 0.000 1.014 243 T CA -0.538 61.582 62.100 0.032 0.000 1.049 243 T CB 1.432 70.322 68.868 0.035 0.000 1.001 243 T HN 0.639 nan 8.240 nan 0.000 0.525 244 L N 2.532 123.788 121.223 0.055 0.000 2.083 244 L HA 0.177 4.517 4.340 -0.000 0.000 0.209 244 L C 2.584 179.578 176.870 0.206 0.000 1.083 244 L CA 2.294 57.196 54.840 0.102 0.000 0.752 244 L CB -1.472 40.540 42.059 -0.078 0.000 0.899 244 L HN 1.029 nan 8.230 nan 0.000 0.433 245 G N -1.508 107.384 108.800 0.154 0.000 2.446 245 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 245 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 245 G C 1.487 176.441 174.900 0.090 0.000 1.168 245 G CA 0.843 46.016 45.100 0.122 0.000 0.771 245 G HN 0.494 nan 8.290 nan 0.000 0.551 246 Q N -0.328 119.503 119.800 0.051 0.000 2.084 246 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 246 Q C 2.451 178.425 176.000 -0.044 0.000 0.978 246 Q CA 1.462 57.267 55.803 0.004 0.000 0.844 246 Q CB -0.159 28.579 28.738 -0.001 0.000 0.898 246 Q HN 0.707 nan 8.270 nan 0.000 0.426 247 E N -0.019 120.163 120.200 -0.031 0.000 2.051 247 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 247 E C 1.567 177.851 176.600 -0.527 0.000 0.991 247 E CA 0.985 57.272 56.400 -0.189 0.000 0.799 247 E CB -0.052 29.616 29.700 -0.053 0.000 0.748 247 E HN 0.252 nan 8.360 nan 0.000 0.449 248 F N 1.108 120.818 119.950 -0.400 0.000 2.216 248 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 248 F C 2.827 178.475 175.800 -0.252 0.000 1.085 248 F CA 1.447 59.242 58.000 -0.341 0.000 1.326 248 F CB -0.510 38.516 39.000 0.043 0.000 1.027 248 F HN 0.139 nan 8.300 nan 0.000 0.497 249 S N -0.360 115.324 115.700 -0.028 0.000 2.400 249 S HA -0.139 4.330 4.470 -0.000 0.000 0.232 249 S C 2.440 176.971 174.600 -0.114 0.000 1.025 249 S CA 1.217 59.385 58.200 -0.053 0.000 0.993 249 S CB -1.352 61.825 63.200 -0.038 0.000 0.808 249 S HN 0.355 nan 8.310 nan 0.000 0.478 250 G N 0.410 109.083 108.800 -0.212 0.000 2.418 250 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 250 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 250 G C 1.219 176.085 174.900 -0.055 0.000 1.158 250 G CA 0.993 45.991 45.100 -0.170 0.000 0.771 250 G HN 0.595 nan 8.290 nan 0.000 0.545 251 Y N 0.847 121.098 120.300 -0.081 0.000 2.145 251 Y HA -0.065 4.485 4.550 -0.000 0.000 0.286 251 Y C 3.033 178.902 175.900 -0.051 0.000 1.145 251 Y CA 0.029 58.077 58.100 -0.087 0.000 1.148 251 Y CB -1.310 37.056 38.460 -0.157 0.000 0.981 251 Y HN 0.029 nan 8.280 nan 0.000 0.507 252 V N 0.266 120.235 119.914 0.091 0.000 2.252 252 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 252 V C 2.487 178.601 176.094 0.032 0.000 1.056 252 V CA 2.378 64.682 62.300 0.008 0.000 1.022 252 V CB -0.874 30.899 31.823 -0.084 0.000 0.641 252 V HN 0.314 nan 8.190 nan 0.000 0.445 253 Q N -0.171 119.588 119.800 -0.070 0.000 2.096 253 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 253 Q C 2.253 178.089 176.000 -0.273 0.000 0.982 253 Q CA 2.005 57.651 55.803 -0.262 0.000 0.850 253 Q CB -0.334 28.194 28.738 -0.350 0.000 0.901 253 Q HN 0.702 nan 8.270 nan 0.000 0.422 254 Q N -1.166 118.584 119.800 -0.084 0.000 2.124 254 Q HA -0.126 4.213 4.340 -0.000 0.000 0.202 254 Q C 2.034 178.074 176.000 0.066 0.000 0.977 254 Q CA 1.679 57.490 55.803 0.013 0.000 0.850 254 Q CB 0.094 28.866 28.738 0.057 0.000 0.901 254 Q HN 0.296 nan 8.270 nan 0.000 0.429 255 V N 0.880 120.846 119.914 0.087 0.000 2.407 255 V HA -0.205 3.914 4.120 -0.000 0.000 0.245 255 V C 2.211 178.387 176.094 0.135 0.000 1.041 255 V CA 1.517 63.890 62.300 0.122 0.000 1.040 255 V CB -0.505 31.411 31.823 0.155 0.000 0.671 255 V HN 0.293 nan 8.190 nan 0.000 0.455 256 K N -0.404 120.095 120.400 0.166 0.000 2.020 256 K HA -0.243 4.077 4.320 -0.000 0.000 0.212 256 K C 2.284 178.996 176.600 0.188 0.000 1.050 256 K CA 2.142 58.484 56.287 0.093 0.000 0.929 256 K CB -0.300 32.242 32.500 0.070 0.000 0.714 256 K HN 0.405 nan 8.250 nan 0.000 0.443 257 Y N 0.316 120.630 120.300 0.024 0.000 2.293 257 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 257 Y C 2.399 178.292 175.900 -0.012 0.000 1.137 257 Y CA 0.501 58.602 58.100 0.002 0.000 1.202 257 Y CB -1.057 37.408 38.460 0.009 0.000 0.990 257 Y HN 0.212 nan 8.280 nan 0.000 0.537 258 A N -0.123 122.786 122.820 0.148 0.000 1.908 258 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 258 A C 2.412 180.010 177.584 0.023 0.000 1.181 258 A CA 1.972 54.044 52.037 0.059 0.000 0.627 258 A CB -0.764 18.260 19.000 0.040 0.000 0.818 258 A HN 0.407 nan 8.150 nan 0.000 0.445 259 M N -1.007 118.609 119.600 0.028 0.000 2.132 259 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 259 M C 2.263 178.550 176.300 -0.023 0.000 1.065 259 M CA 1.933 57.225 55.300 -0.013 0.000 1.122 259 M CB -0.682 31.901 32.600 -0.030 0.000 1.365 259 M HN 0.447 nan 8.290 nan 0.000 0.411 260 T N 0.105 114.662 114.554 0.005 0.000 2.720 260 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 260 T C 1.826 176.499 174.700 -0.046 0.000 1.037 260 T CA 1.269 63.357 62.100 -0.019 0.000 1.144 260 T CB -0.287 68.573 68.868 -0.013 0.000 0.864 260 T HN 0.364 nan 8.240 nan 0.000 0.444 261 R N 0.211 120.686 120.500 -0.041 0.000 2.081 261 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 261 R C 2.445 178.707 176.300 -0.064 0.000 1.131 261 R CA 1.211 57.277 56.100 -0.056 0.000 0.960 261 R CB -0.478 29.796 30.300 -0.043 0.000 0.856 261 R HN 0.398 nan 8.270 nan 0.000 0.436 262 I N 0.879 121.411 120.570 -0.064 0.000 2.142 262 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 262 I C 2.114 178.169 176.117 -0.104 0.000 1.078 262 I CA 1.493 62.741 61.300 -0.086 0.000 1.343 262 I CB -0.189 37.757 38.000 -0.089 0.000 1.046 262 I HN 0.095 nan 8.210 nan 0.000 0.405 263 K N 0.857 121.202 120.400 -0.091 0.000 2.103 263 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 263 K C 2.149 178.714 176.600 -0.058 0.000 1.048 263 K CA 1.567 57.809 56.287 -0.076 0.000 0.930 263 K CB -0.328 32.141 32.500 -0.051 0.000 0.716 263 K HN 0.333 nan 8.250 nan 0.000 0.444 264 A N 0.938 123.723 122.820 -0.059 0.000 2.070 264 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 264 A C 1.999 179.544 177.584 -0.065 0.000 1.159 264 A CA 1.619 53.623 52.037 -0.054 0.000 0.656 264 A CB -0.321 18.644 19.000 -0.059 0.000 0.800 264 A HN 0.315 nan 8.150 nan 0.000 0.453 265 A N -1.874 120.894 122.820 -0.087 0.000 2.423 265 A HA 0.456 4.776 4.320 -0.000 0.000 0.246 265 A C 1.560 179.049 177.584 -0.158 0.000 1.278 265 A CA 0.116 52.093 52.037 -0.101 0.000 0.903 265 A CB -0.139 18.808 19.000 -0.089 0.000 0.997 265 A HN 0.333 nan 8.150 nan 0.000 0.510 266 M N -0.622 118.862 119.600 -0.193 0.000 2.534 266 M HA 0.111 4.591 4.480 -0.000 0.000 0.263 266 M C -1.106 174.907 176.300 -0.479 0.000 1.152 266 M CA -0.019 55.052 55.300 -0.383 0.000 1.145 266 M CB -1.629 30.746 32.600 -0.375 0.000 1.333 266 M HN 0.059 nan 8.290 nan 0.000 0.477 267 P HA -0.138 nan 4.420 nan 0.000 0.216 267 P C 1.159 178.446 177.300 -0.022 0.000 1.153 267 P CA 1.578 64.691 63.100 0.022 0.000 0.858 267 P CB -0.140 31.586 31.700 0.044 0.000 0.789 268 R N -1.342 119.105 120.500 -0.089 0.000 2.240 268 R HA 0.093 4.433 4.340 -0.000 0.000 0.203 268 R C 2.032 178.229 176.300 -0.173 0.000 1.011 268 R CA 0.396 56.461 56.100 -0.057 0.000 1.007 268 R CB -0.465 29.822 30.300 -0.023 0.000 0.911 268 R HN 0.178 nan 8.270 nan 0.000 0.468 269 I N 0.057 120.396 120.570 -0.385 0.000 2.394 269 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 269 I C 1.460 177.397 176.117 -0.300 0.000 1.136 269 I CA 1.611 62.515 61.300 -0.659 0.000 1.425 269 I CB -0.726 36.919 38.000 -0.592 0.000 1.079 269 I HN 0.231 nan 8.210 nan 0.000 0.425 270 Y N 1.355 121.632 120.300 -0.039 0.000 2.509 270 Y HA -0.042 4.508 4.550 -0.000 0.000 0.293 270 Y C 1.043 177.071 175.900 0.214 0.000 1.133 270 Y CA -0.183 57.950 58.100 0.055 0.000 1.283 270 Y CB -0.127 38.268 38.460 -0.108 0.000 1.001 270 Y HN 0.217 nan 8.280 nan 0.000 0.555 271 E N 1.856 122.232 120.200 0.293 0.000 2.257 271 E HA 0.184 4.534 4.350 -0.000 0.000 0.278 271 E C -0.806 175.985 176.600 0.320 0.000 1.049 271 E CA -0.087 56.464 56.400 0.252 0.000 0.876 271 E CB 0.782 30.587 29.700 0.176 0.000 1.035 271 E HN 0.263 nan 8.360 nan 0.000 0.419 272 L N 2.072 123.413 121.223 0.196 0.000 2.317 272 L HA 0.310 4.650 4.340 -0.000 0.000 0.281 272 L C 1.081 177.958 176.870 0.010 0.000 1.024 272 L CA -0.500 54.390 54.840 0.084 0.000 0.810 272 L CB 1.520 43.584 42.059 0.008 0.000 1.240 272 L HN 0.654 nan 8.230 nan 0.000 0.427 273 A N 2.752 125.547 122.820 -0.043 0.000 2.119 273 A HA 0.154 4.473 4.320 -0.000 0.000 0.217 273 A C 1.285 178.847 177.584 -0.036 0.000 1.153 273 A CA 0.680 52.691 52.037 -0.044 0.000 0.692 273 A CB -0.216 18.757 19.000 -0.046 0.000 0.799 273 A HN 0.769 nan 8.150 nan 0.000 0.458 274 A N -0.728 122.066 122.820 -0.043 0.000 2.561 274 A HA 0.410 4.729 4.320 -0.000 0.000 0.251 274 A C 1.559 179.164 177.584 0.034 0.000 1.062 274 A CA 0.869 52.904 52.037 -0.002 0.000 0.761 274 A CB -0.732 18.238 19.000 -0.051 0.000 0.986 274 A HN 1.942 nan 8.150 nan 0.000 0.510 275 G N 1.711 110.587 108.800 0.126 0.000 2.316 275 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.203 275 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.203 275 G C 1.296 176.215 174.900 0.033 0.000 0.999 275 G CA 0.577 45.765 45.100 0.146 0.000 0.649 275 G HN 1.781 nan 8.290 nan 0.000 0.489 276 G N 0.764 109.549 108.800 -0.025 0.000 2.509 276 G HA2 0.352 4.311 3.960 -0.000 0.000 0.218 276 G HA3 0.352 4.311 3.960 -0.000 0.000 0.218 276 G C 1.587 176.456 174.900 -0.052 0.000 1.124 276 G CA 2.876 47.918 45.100 -0.096 0.000 0.776 276 G HN 2.137 nan 8.290 nan 0.000 0.547 277 T N -1.152 113.399 114.554 -0.005 0.000 13.885 277 T HA -0.428 3.921 4.350 -0.000 0.000 0.414 277 T C 1.981 176.692 174.700 0.018 0.000 1.445 277 T CA 2.447 64.551 62.100 0.006 0.000 2.305 277 T CB -1.444 67.417 68.868 -0.012 0.000 2.728 277 T HN 1.305 nan 8.240 nan 0.000 0.311 278 A N 1.203 124.037 122.820 0.024 0.000 1.858 278 A HA 0.263 4.583 4.320 -0.000 0.000 0.216 278 A C 2.767 180.387 177.584 0.061 0.000 1.190 278 A CA 3.924 55.986 52.037 0.043 0.000 0.617 278 A CB -0.855 18.169 19.000 0.041 0.000 0.827 278 A HN 2.085 nan 8.150 nan 0.000 0.443 279 V N -6.009 113.948 119.914 0.071 0.000 3.398 279 V HA 0.626 4.746 4.120 -0.000 0.000 0.298 279 V C 1.062 177.240 176.094 0.140 0.000 1.496 279 V CA 0.788 63.164 62.300 0.126 0.000 1.044 279 V CB -0.270 31.649 31.823 0.160 0.000 0.880 279 V HN 1.632 nan 8.190 nan 0.000 0.443 280 G N 1.307 110.088 108.800 -0.033 0.000 2.184 280 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.206 280 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.206 280 G C 0.933 175.537 174.900 -0.493 0.000 0.995 280 G CA 0.880 45.737 45.100 -0.404 0.000 0.651 280 G HN 1.098 nan 8.290 nan 0.000 0.511 281 T N -1.417 113.126 114.554 -0.019 0.000 3.023 281 T HA 0.379 4.729 4.350 -0.000 0.000 0.266 281 T C 2.494 177.199 174.700 0.008 0.000 1.093 281 T CA 1.803 63.958 62.100 0.092 0.000 1.129 281 T CB -0.006 68.963 68.868 0.168 0.000 0.899 281 T HN 2.215 nan 8.240 nan 0.000 0.491 282 G N 0.975 109.759 108.800 -0.027 0.000 2.143 282 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.249 282 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.249 282 G C -0.044 174.844 174.900 -0.020 0.000 0.981 282 G CA 0.014 45.102 45.100 -0.020 0.000 0.665 282 G HN 0.792 nan 8.290 nan 0.000 0.528 283 L N 0.276 121.496 121.223 -0.005 0.000 2.615 283 L HA 0.341 4.681 4.340 -0.000 0.000 0.284 283 L C 1.124 177.970 176.870 -0.040 0.000 1.237 283 L CA 1.807 56.641 54.840 -0.010 0.000 0.905 283 L CB -0.209 41.855 42.059 0.009 0.000 1.149 283 L HN 0.431 nan 8.230 nan 0.000 0.499 284 N N 0.216 118.884 118.700 -0.054 0.000 2.936 284 N HA -0.190 4.549 4.740 -0.000 0.000 0.236 284 N C -0.060 175.362 175.510 -0.147 0.000 0.930 284 N CA 1.511 54.511 53.050 -0.084 0.000 0.966 284 N CB -1.764 36.680 38.487 -0.071 0.000 1.090 284 N HN 1.009 nan 8.380 nan 0.000 0.592 285 T N -3.676 110.782 114.554 -0.160 0.000 2.895 285 T HA 0.784 5.134 4.350 -0.000 0.000 0.283 285 T C 0.556 175.117 174.700 -0.232 0.000 1.014 285 T CA -0.112 61.827 62.100 -0.268 0.000 1.037 285 T CB 1.864 70.585 68.868 -0.244 0.000 1.006 285 T HN 0.487 nan 8.240 nan 0.000 0.468 286 R N 0.736 121.005 120.500 -0.385 0.000 2.641 286 R HA 0.731 5.071 4.340 -0.000 0.000 0.269 286 R C 1.025 177.235 176.300 -0.150 0.000 1.074 286 R CA -0.047 55.863 56.100 -0.316 0.000 1.133 286 R CB -1.068 28.841 30.300 -0.652 0.000 1.029 286 R HN 1.504 nan 8.270 nan 0.000 0.488 287 I N 0.122 120.674 120.570 -0.031 0.000 2.813 287 I HA 0.467 4.636 4.170 -0.000 0.000 0.287 287 I C 1.990 178.170 176.117 0.105 0.000 1.196 287 I CA 0.935 62.258 61.300 0.038 0.000 1.421 287 I CB -0.235 37.795 38.000 0.050 0.000 1.365 287 I HN 2.043 nan 8.210 nan 0.000 0.591 288 G N 2.591 111.459 108.800 0.113 0.000 2.268 288 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.240 288 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.240 288 G C 0.965 175.973 174.900 0.179 0.000 1.010 288 G CA 1.183 46.375 45.100 0.152 0.000 0.618 288 G HN 2.060 nan 8.290 nan 0.000 0.516 289 F N 2.439 122.411 119.950 0.037 0.000 2.134 289 F HA 0.230 4.757 4.527 -0.000 0.000 0.299 289 F C 2.730 178.545 175.800 0.024 0.000 1.097 289 F CA 2.369 60.387 58.000 0.030 0.000 1.264 289 F CB -0.562 38.328 39.000 -0.183 0.000 1.001 289 F HN 0.423 nan 8.300 nan 0.000 0.479 290 A N 0.274 123.069 122.820 -0.043 0.000 1.873 290 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 290 A C 2.010 179.491 177.584 -0.172 0.000 1.193 290 A CA 2.291 54.256 52.037 -0.120 0.000 0.629 290 A CB -1.015 17.978 19.000 -0.011 0.000 0.826 290 A HN 0.497 nan 8.150 nan 0.000 0.447 291 E N -0.192 119.955 120.200 -0.088 0.000 2.072 291 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 291 E C 2.057 178.604 176.600 -0.089 0.000 0.982 291 E CA 1.404 57.767 56.400 -0.061 0.000 0.803 291 E CB -0.169 29.522 29.700 -0.014 0.000 0.755 291 E HN 0.643 nan 8.360 nan 0.000 0.453 292 K N 0.185 120.525 120.400 -0.100 0.000 2.057 292 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 292 K C 2.173 178.669 176.600 -0.173 0.000 1.049 292 K CA 1.157 57.388 56.287 -0.094 0.000 0.931 292 K CB -0.336 32.155 32.500 -0.016 0.000 0.714 292 K HN 0.019 nan 8.250 nan 0.000 0.440 293 V N 0.976 120.677 119.914 -0.355 0.000 2.453 293 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 293 V C 2.088 178.056 176.094 -0.211 0.000 1.048 293 V CA 1.862 63.950 62.300 -0.353 0.000 1.049 293 V CB -0.208 31.239 31.823 -0.627 0.000 0.672 293 V HN 0.357 nan 8.190 nan 0.000 0.457 294 A N -0.130 122.586 122.820 -0.172 0.000 1.902 294 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 294 A C 2.409 179.979 177.584 -0.025 0.000 1.181 294 A CA 2.061 54.051 52.037 -0.078 0.000 0.623 294 A CB -0.942 18.038 19.000 -0.033 0.000 0.818 294 A HN 0.743 nan 8.150 nan 0.000 0.443 295 A N -0.221 122.575 122.820 -0.040 0.000 1.902 295 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 295 A C 2.069 179.640 177.584 -0.021 0.000 1.181 295 A CA 2.327 54.351 52.037 -0.021 0.000 0.623 295 A CB -0.386 18.597 19.000 -0.028 0.000 0.818 295 A HN 0.441 nan 8.150 nan 0.000 0.443 296 K N -0.035 120.337 120.400 -0.046 0.000 2.057 296 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 296 K C 1.644 178.224 176.600 -0.035 0.000 1.049 296 K CA 1.775 58.038 56.287 -0.041 0.000 0.931 296 K CB -0.702 31.766 32.500 -0.053 0.000 0.714 296 K HN 0.182 nan 8.250 nan 0.000 0.440 297 V N 0.956 120.835 119.914 -0.057 0.000 2.343 297 V HA -0.234 3.885 4.120 -0.000 0.000 0.247 297 V C 2.344 178.487 176.094 0.081 0.000 1.051 297 V CA 1.909 64.165 62.300 -0.073 0.000 1.036 297 V CB -0.923 30.750 31.823 -0.249 0.000 0.654 297 V HN 0.483 nan 8.190 nan 0.000 0.451 298 A N 0.149 123.056 122.820 0.144 0.000 1.865 298 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 298 A C 2.444 180.059 177.584 0.052 0.000 1.191 298 A CA 2.324 54.452 52.037 0.152 0.000 0.623 298 A CB -0.916 18.119 19.000 0.058 0.000 0.826 298 A HN 0.583 nan 8.150 nan 0.000 0.444 299 A N -0.517 122.314 122.820 0.018 0.000 1.933 299 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 299 A C 2.157 179.742 177.584 0.002 0.000 1.175 299 A CA 1.525 53.561 52.037 -0.003 0.000 0.628 299 A CB -0.594 18.400 19.000 -0.011 0.000 0.814 299 A HN 0.479 nan 8.150 nan 0.000 0.444 300 L N -0.343 120.885 121.223 0.008 0.000 2.141 300 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 300 L C 2.728 179.611 176.870 0.022 0.000 1.094 300 L CA 1.729 56.573 54.840 0.006 0.000 0.763 300 L CB -0.422 41.632 42.059 -0.008 0.000 0.908 300 L HN 0.659 nan 8.230 nan 0.000 0.437 301 T N -5.127 109.461 114.554 0.057 0.000 3.015 301 T HA 0.243 4.593 4.350 -0.000 0.000 0.250 301 T C 1.490 176.194 174.700 0.007 0.000 1.057 301 T CA 0.452 62.596 62.100 0.073 0.000 1.066 301 T CB 0.653 69.652 68.868 0.219 0.000 0.959 301 T HN 0.355 nan 8.240 nan 0.000 0.488 302 G N 1.460 110.248 108.800 -0.020 0.000 2.143 302 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.248 302 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.248 302 G C -0.166 174.624 174.900 -0.183 0.000 0.991 302 G CA 0.358 45.408 45.100 -0.083 0.000 0.689 302 G HN 0.644 nan 8.290 nan 0.000 0.522 303 L N 0.309 121.397 121.223 -0.226 0.000 2.342 303 L HA 0.499 4.839 4.340 -0.000 0.000 0.271 303 L C -1.702 174.801 176.870 -0.612 0.000 1.008 303 L CA -2.525 52.003 54.840 -0.521 0.000 0.818 303 L CB 2.249 43.897 42.059 -0.685 0.000 1.296 303 L HN -0.146 nan 8.230 nan 0.000 0.427 304 P HA 0.052 nan 4.420 nan 0.000 0.238 304 P C -0.496 176.439 177.300 -0.609 0.000 1.714 304 P CA -0.171 62.513 63.100 -0.692 0.000 0.908 304 P CB -0.600 30.655 31.700 -0.743 0.000 1.893 305 F N 1.310 121.144 119.950 -0.193 0.000 2.529 305 F HA 0.125 4.652 4.527 -0.000 0.000 0.365 305 F C 1.478 177.256 175.800 -0.037 0.000 1.102 305 F CA 0.157 58.140 58.000 -0.028 0.000 1.271 305 F CB 0.339 39.334 39.000 -0.008 0.000 1.120 305 F HN 0.018 nan 8.300 nan 0.000 0.579 306 V N -0.631 119.403 119.914 0.200 0.000 3.160 306 V HA 0.615 4.735 4.120 -0.000 0.000 0.310 306 V C -0.304 175.850 176.094 0.101 0.000 1.181 306 V CA -0.966 61.395 62.300 0.102 0.000 1.047 306 V CB 1.450 33.311 31.823 0.064 0.000 1.068 306 V HN 0.631 nan 8.190 nan 0.000 0.441 307 T N 1.760 116.343 114.554 0.049 0.000 2.897 307 T HA 0.603 4.953 4.350 -0.000 0.000 0.294 307 T C 0.391 175.118 174.700 0.045 0.000 1.004 307 T CA 0.488 62.605 62.100 0.029 0.000 1.106 307 T CB 0.612 69.477 68.868 -0.005 0.000 0.949 307 T HN 1.655 nan 8.240 nan 0.000 0.520 308 A N 7.045 129.890 122.820 0.042 0.000 2.524 308 A HA 0.345 4.665 4.320 -0.000 0.000 0.250 308 A C -0.979 176.618 177.584 0.022 0.000 1.078 308 A CA -1.074 50.990 52.037 0.046 0.000 0.761 308 A CB 0.030 19.054 19.000 0.040 0.000 1.012 308 A HN 0.721 nan 8.150 nan 0.000 0.500 309 P HA -0.084 nan 4.420 nan 0.000 0.222 309 P C 0.092 177.412 177.300 0.034 0.000 1.147 309 P CA 1.027 64.147 63.100 0.033 0.000 0.790 309 P CB 0.168 31.893 31.700 0.041 0.000 0.780 310 N N 0.180 118.900 118.700 0.032 0.000 2.540 310 N HA 0.081 4.821 4.740 -0.000 0.000 0.275 310 N C 0.704 176.191 175.510 -0.039 0.000 1.053 310 N CA -0.322 52.756 53.050 0.046 0.000 0.876 310 N CB 1.129 39.688 38.487 0.119 0.000 1.284 310 N HN -0.307 nan 8.380 nan 0.000 0.518 311 K N 2.434 122.700 120.400 -0.223 0.000 2.288 311 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 311 K C 1.108 177.481 176.600 -0.378 0.000 1.048 311 K CA 0.800 56.887 56.287 -0.334 0.000 0.956 311 K CB -0.040 32.194 32.500 -0.444 0.000 0.746 311 K HN 0.463 nan 8.250 nan 0.000 0.461 312 F N 1.691 121.654 119.950 0.021 0.000 2.128 312 F HA -0.062 4.465 4.527 -0.000 0.000 0.295 312 F C 2.487 178.288 175.800 0.001 0.000 1.100 312 F CA 0.900 58.911 58.000 0.019 0.000 1.260 312 F CB -0.609 38.406 39.000 0.025 0.000 1.009 312 F HN 0.072 nan 8.300 nan 0.000 0.476 313 E N 1.160 121.454 120.200 0.157 0.000 2.160 313 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 313 E C 2.185 178.779 176.600 -0.009 0.000 0.991 313 E CA 1.265 57.704 56.400 0.066 0.000 0.810 313 E CB -0.197 29.544 29.700 0.068 0.000 0.742 313 E HN 0.342 nan 8.360 nan 0.000 0.466 314 A N 0.601 123.409 122.820 -0.021 0.000 2.016 314 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 314 A C 2.307 179.836 177.584 -0.092 0.000 1.162 314 A CA 0.581 52.594 52.037 -0.041 0.000 0.662 314 A CB -0.194 18.794 19.000 -0.021 0.000 0.812 314 A HN 0.266 nan 8.150 nan 0.000 0.450 315 L N -1.526 119.656 121.223 -0.068 0.000 2.221 315 L HA 0.056 4.396 4.340 -0.000 0.000 0.202 315 L C 2.853 179.679 176.870 -0.074 0.000 1.074 315 L CA 0.954 55.774 54.840 -0.034 0.000 0.795 315 L CB -0.503 41.566 42.059 0.016 0.000 0.960 315 L HN 0.383 nan 8.230 nan 0.000 0.458 316 A N 0.032 122.824 122.820 -0.046 0.000 2.119 316 A HA 0.371 4.691 4.320 -0.000 0.000 0.217 316 A C 1.026 178.537 177.584 -0.121 0.000 1.153 316 A CA 1.065 53.087 52.037 -0.025 0.000 0.692 316 A CB -0.224 18.804 19.000 0.047 0.000 0.799 316 A HN 0.360 nan 8.150 nan 0.000 0.458 317 A N -1.566 121.096 122.820 -0.262 0.000 2.587 317 A HA 0.645 4.965 4.320 -0.000 0.000 0.293 317 A C -0.977 176.236 177.584 -0.618 0.000 1.087 317 A CA -0.575 51.282 52.037 -0.300 0.000 0.692 317 A CB 0.634 19.555 19.000 -0.131 0.000 1.291 317 A HN 0.282 nan 8.150 nan 0.000 0.407 318 H N 1.339 120.436 119.070 0.047 0.000 2.471 318 H HA 0.167 4.723 4.556 -0.000 0.000 0.234 318 H C -0.442 174.930 175.328 0.074 0.000 1.388 318 H CA -0.358 55.741 56.048 0.084 0.000 1.198 318 H CB 0.501 30.321 29.762 0.097 0.000 1.714 318 H HN 0.698 nan 8.280 nan 0.000 0.536 319 D N 0.937 121.386 120.400 0.080 0.000 2.219 319 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 319 D C 2.088 178.430 176.300 0.070 0.000 0.970 319 D CA 0.799 54.833 54.000 0.055 0.000 0.851 319 D CB 0.267 41.080 40.800 0.021 0.000 0.943 319 D HN 0.460 nan 8.370 nan 0.000 0.488 320 A N 0.859 123.738 122.820 0.099 0.000 1.902 320 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 320 A C 2.351 179.945 177.584 0.018 0.000 1.181 320 A CA 0.784 52.838 52.037 0.029 0.000 0.623 320 A CB -0.743 18.235 19.000 -0.037 0.000 0.818 320 A HN 0.191 nan 8.150 nan 0.000 0.443 321 L N -0.352 120.937 121.223 0.109 0.000 2.042 321 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 321 L C 2.549 179.469 176.870 0.084 0.000 1.076 321 L CA 1.328 56.225 54.840 0.096 0.000 0.749 321 L CB -0.667 41.483 42.059 0.151 0.000 0.893 321 L HN 0.273 nan 8.230 nan 0.000 0.432 322 V N -0.144 119.822 119.914 0.087 0.000 2.343 322 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 322 V C 2.461 178.628 176.094 0.121 0.000 1.051 322 V CA 2.057 64.408 62.300 0.085 0.000 1.036 322 V CB -0.578 31.270 31.823 0.041 0.000 0.654 322 V HN 0.524 nan 8.190 nan 0.000 0.451 323 E N 0.048 120.285 120.200 0.062 0.000 2.038 323 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 323 E C 2.213 178.815 176.600 0.003 0.000 1.000 323 E CA 1.779 58.195 56.400 0.026 0.000 0.803 323 E CB -0.187 29.508 29.700 -0.009 0.000 0.750 323 E HN 0.415 nan 8.360 nan 0.000 0.448 324 L N 0.820 122.034 121.223 -0.015 0.000 2.012 324 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 324 L C 2.513 179.379 176.870 -0.007 0.000 1.073 324 L CA 2.288 57.106 54.840 -0.037 0.000 0.748 324 L CB -1.005 41.016 42.059 -0.064 0.000 0.891 324 L HN 0.110 nan 8.230 nan 0.000 0.431 325 S N -0.602 115.138 115.700 0.066 0.000 2.374 325 S HA -0.172 4.298 4.470 -0.000 0.000 0.227 325 S C 2.072 176.650 174.600 -0.037 0.000 1.037 325 S CA 1.348 59.632 58.200 0.140 0.000 1.024 325 S CB -0.940 62.462 63.200 0.335 0.000 0.861 325 S HN 0.698 nan 8.310 nan 0.000 0.456 326 G N 0.813 109.579 108.800 -0.057 0.000 2.476 326 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 326 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 326 G C 1.685 176.455 174.900 -0.217 0.000 1.164 326 G CA 1.102 46.031 45.100 -0.284 0.000 0.768 326 G HN 0.713 nan 8.290 nan 0.000 0.560 327 A N 0.299 123.048 122.820 -0.118 0.000 1.933 327 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 327 A C 2.472 179.996 177.584 -0.100 0.000 1.175 327 A CA 1.830 53.809 52.037 -0.096 0.000 0.628 327 A CB -0.321 18.633 19.000 -0.077 0.000 0.814 327 A HN 0.404 nan 8.150 nan 0.000 0.444 328 M N -1.151 118.389 119.600 -0.100 0.000 2.200 328 M HA -0.114 4.365 4.480 -0.000 0.000 0.265 328 M C 2.101 178.338 176.300 -0.106 0.000 1.066 328 M CA 1.625 56.876 55.300 -0.082 0.000 1.127 328 M CB -0.401 32.168 32.600 -0.051 0.000 1.379 328 M HN 0.598 nan 8.290 nan 0.000 0.420 329 N N 0.034 118.623 118.700 -0.184 0.000 2.104 329 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 329 N C 1.349 176.774 175.510 -0.141 0.000 1.024 329 N CA 2.154 55.077 53.050 -0.212 0.000 0.853 329 N CB -0.024 38.173 38.487 -0.482 0.000 1.008 329 N HN 0.203 nan 8.380 nan 0.000 0.424 330 T N -1.252 113.223 114.554 -0.132 0.000 2.737 330 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 330 T C 1.775 176.443 174.700 -0.054 0.000 1.038 330 T CA 1.738 63.791 62.100 -0.078 0.000 1.144 330 T CB -0.789 68.041 68.868 -0.064 0.000 0.866 330 T HN 0.296 nan 8.240 nan 0.000 0.434 331 T N 2.063 116.583 114.554 -0.055 0.000 2.759 331 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 331 T C 2.385 177.055 174.700 -0.051 0.000 1.042 331 T CA 1.193 63.270 62.100 -0.039 0.000 1.140 331 T CB -0.528 68.316 68.868 -0.041 0.000 0.864 331 T HN 0.452 nan 8.240 nan 0.000 0.455 332 A N 0.447 123.229 122.820 -0.063 0.000 1.930 332 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 332 A C 2.692 180.237 177.584 -0.065 0.000 1.175 332 A CA 1.334 53.331 52.037 -0.068 0.000 0.627 332 A CB -1.232 17.730 19.000 -0.062 0.000 0.815 332 A HN 0.635 nan 8.150 nan 0.000 0.443 333 C N -0.736 118.530 119.300 -0.056 0.000 2.432 333 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 333 C C 3.263 178.225 174.990 -0.046 0.000 1.249 333 C CA 1.328 60.318 59.018 -0.047 0.000 1.725 333 C CB -1.260 26.458 27.740 -0.038 0.000 2.028 333 C HN 0.617 nan 8.230 nan 0.000 0.477 334 S N 1.073 116.751 115.700 -0.037 0.000 2.356 334 S HA -0.109 4.361 4.470 -0.000 0.000 0.223 334 S C 1.746 176.306 174.600 -0.068 0.000 1.032 334 S CA 1.358 59.542 58.200 -0.027 0.000 1.005 334 S CB -0.414 62.786 63.200 -0.001 0.000 0.867 334 S HN 0.551 nan 8.310 nan 0.000 0.449 335 L N 0.410 121.581 121.223 -0.087 0.000 2.093 335 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 335 L C 2.540 179.296 176.870 -0.190 0.000 1.085 335 L CA 1.032 55.784 54.840 -0.146 0.000 0.755 335 L CB -0.471 41.501 42.059 -0.146 0.000 0.904 335 L HN 0.340 nan 8.230 nan 0.000 0.435 336 M N 0.155 119.672 119.600 -0.138 0.000 2.082 336 M HA -0.252 4.227 4.480 -0.000 0.000 0.258 336 M C 2.291 178.519 176.300 -0.121 0.000 1.069 336 M CA 1.859 57.086 55.300 -0.122 0.000 1.102 336 M CB -0.364 32.188 32.600 -0.079 0.000 1.336 336 M HN -0.065 nan 8.290 nan 0.000 0.404 337 K N 0.293 120.629 120.400 -0.107 0.000 2.026 337 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 337 K C 1.946 178.435 176.600 -0.185 0.000 1.048 337 K CA 1.982 58.209 56.287 -0.100 0.000 0.929 337 K CB -0.620 31.847 32.500 -0.055 0.000 0.713 337 K HN 0.521 nan 8.250 nan 0.000 0.439 338 I N 0.861 121.260 120.570 -0.285 0.000 2.127 338 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 338 I C 2.485 178.357 176.117 -0.409 0.000 1.075 338 I CA 1.502 62.458 61.300 -0.574 0.000 1.334 338 I CB -0.333 37.385 38.000 -0.470 0.000 1.040 338 I HN 0.141 nan 8.210 nan 0.000 0.405 339 A N 0.335 122.965 122.820 -0.317 0.000 1.929 339 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 339 A C 2.041 179.563 177.584 -0.102 0.000 1.176 339 A CA 1.952 53.813 52.037 -0.293 0.000 0.628 339 A CB -0.763 17.881 19.000 -0.595 0.000 0.816 339 A HN 0.451 nan 8.150 nan 0.000 0.444 340 N N 0.290 118.945 118.700 -0.074 0.000 2.120 340 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 340 N C 1.196 176.799 175.510 0.156 0.000 1.024 340 N CA 1.754 54.846 53.050 0.071 0.000 0.852 340 N CB -0.257 38.271 38.487 0.067 0.000 1.003 340 N HN 0.358 nan 8.380 nan 0.000 0.424 341 D N 0.024 120.440 120.400 0.026 0.000 2.104 341 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 341 D C 1.917 178.281 176.300 0.106 0.000 0.994 341 D CA 0.891 54.928 54.000 0.062 0.000 0.830 341 D CB -0.262 40.533 40.800 -0.009 0.000 0.959 341 D HN 0.366 nan 8.370 nan 0.000 0.452 342 I N 0.415 121.002 120.570 0.028 0.000 2.286 342 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 342 I C 2.510 178.709 176.117 0.136 0.000 1.115 342 I CA 0.784 62.150 61.300 0.109 0.000 1.392 342 I CB -0.133 37.962 38.000 0.158 0.000 1.065 342 I HN -0.023 nan 8.210 nan 0.000 0.418 343 R N 0.933 121.504 120.500 0.118 0.000 2.083 343 R HA -0.216 4.124 4.340 -0.000 0.000 0.237 343 R C 2.226 178.516 176.300 -0.017 0.000 1.137 343 R CA 1.976 58.100 56.100 0.041 0.000 0.951 343 R CB -0.476 29.823 30.300 -0.002 0.000 0.851 343 R HN 0.165 nan 8.270 nan 0.000 0.434 344 F N 0.772 120.739 119.950 0.029 0.000 2.234 344 F HA 0.028 4.555 4.527 -0.000 0.000 0.296 344 F C 2.069 177.893 175.800 0.040 0.000 1.089 344 F CA 0.918 58.936 58.000 0.029 0.000 1.343 344 F CB -0.019 38.994 39.000 0.022 0.000 1.040 344 F HN -0.029 nan 8.300 nan 0.000 0.498 345 L N -0.993 120.363 121.223 0.222 0.000 2.201 345 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 345 L C 2.389 179.323 176.870 0.107 0.000 1.105 345 L CA 1.166 56.103 54.840 0.161 0.000 0.775 345 L CB -0.968 41.198 42.059 0.179 0.000 0.913 345 L HN 0.191 nan 8.230 nan 0.000 0.440 346 G N -0.671 108.181 108.800 0.086 0.000 2.985 346 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.209 346 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.209 346 G C 0.689 175.597 174.900 0.013 0.000 1.165 346 G CA 0.223 45.352 45.100 0.048 0.000 0.776 346 G HN 0.387 nan 8.290 nan 0.000 0.541 347 S N -0.466 115.235 115.700 0.002 0.000 2.572 347 S HA 0.646 5.116 4.470 -0.000 0.000 0.279 347 S C 0.717 175.311 174.600 -0.009 0.000 1.341 347 S CA 0.354 58.532 58.200 -0.037 0.000 1.043 347 S CB 1.709 64.870 63.200 -0.064 0.000 0.887 347 S HN 1.340 nan 8.310 nan 0.000 0.516 348 G N 1.859 110.646 108.800 -0.021 0.000 2.286 348 G HA2 0.097 4.057 3.960 -0.000 0.000 0.118 348 G HA3 0.097 4.057 3.960 -0.000 0.000 0.118 348 G C -2.058 172.835 174.900 -0.012 0.000 1.267 348 G CA -0.150 44.946 45.100 -0.008 0.000 1.171 348 G HN 0.663 nan 8.290 nan 0.000 0.465 349 P HA 0.108 nan 4.420 nan 0.000 0.223 349 P C 1.347 178.648 177.300 0.002 0.000 1.151 349 P CA 0.937 64.036 63.100 -0.002 0.000 0.787 349 P CB 0.111 31.809 31.700 -0.002 0.000 0.788 350 R N -0.718 119.783 120.500 0.002 0.000 2.194 350 R HA 0.228 4.568 4.340 -0.000 0.000 0.194 350 R C 1.493 177.798 176.300 0.008 0.000 0.985 350 R CA 0.488 56.590 56.100 0.004 0.000 1.104 350 R CB -0.448 29.853 30.300 0.002 0.000 1.092 350 R HN 0.047 nan 8.270 nan 0.000 0.555 351 S N 0.813 116.518 115.700 0.008 0.000 2.583 351 S HA 0.303 4.773 4.470 -0.000 0.000 0.239 351 S C 0.528 175.141 174.600 0.022 0.000 0.966 351 S CA -0.170 58.039 58.200 0.014 0.000 0.973 351 S CB 0.939 64.145 63.200 0.011 0.000 0.794 351 S HN 0.411 nan 8.310 nan 0.000 0.463 352 G N 0.585 109.399 108.800 0.023 0.000 3.135 352 G HA2 0.558 4.518 3.960 -0.000 0.000 0.159 352 G HA3 0.558 4.518 3.960 -0.000 0.000 0.159 352 G C 0.468 175.400 174.900 0.053 0.000 1.244 352 G CA -0.543 44.580 45.100 0.038 0.000 0.965 352 G HN 0.262 nan 8.290 nan 0.000 0.599 353 L N -0.168 121.097 121.223 0.069 0.000 2.221 353 L HA 0.259 4.599 4.340 -0.000 0.000 0.202 353 L C 2.104 179.003 176.870 0.048 0.000 1.074 353 L CA 0.872 55.756 54.840 0.072 0.000 0.795 353 L CB -0.345 41.779 42.059 0.109 0.000 0.960 353 L HN 0.854 nan 8.230 nan 0.000 0.458 354 G N 0.606 109.430 108.800 0.041 0.000 2.176 354 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 354 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 354 G C 0.648 175.556 174.900 0.013 0.000 1.024 354 G CA 0.634 45.747 45.100 0.022 0.000 0.755 354 G HN 0.458 nan 8.290 nan 0.000 0.507 355 E N -1.038 119.175 120.200 0.022 0.000 2.170 355 E HA 0.180 4.530 4.350 -0.000 0.000 0.191 355 E C 1.181 177.759 176.600 -0.036 0.000 0.981 355 E CA 0.479 56.877 56.400 -0.004 0.000 0.830 355 E CB 0.189 29.901 29.700 0.019 0.000 0.775 355 E HN 0.590 nan 8.360 nan 0.000 0.470 356 L N 1.340 122.565 121.223 0.003 0.000 2.334 356 L HA 0.469 4.809 4.340 -0.000 0.000 0.273 356 L C -0.364 176.514 176.870 0.014 0.000 1.013 356 L CA -0.767 54.073 54.840 0.001 0.000 0.816 356 L CB 1.950 44.058 42.059 0.082 0.000 1.278 356 L HN -0.064 nan 8.230 nan 0.000 0.431 357 I N 3.710 124.286 120.570 0.009 0.000 2.330 357 I HA 0.320 4.490 4.170 -0.000 0.000 0.286 357 I C -0.297 175.839 176.117 0.031 0.000 1.025 357 I CA -0.278 61.031 61.300 0.016 0.000 1.197 357 I CB 1.007 39.011 38.000 0.007 0.000 1.358 357 I HN 0.322 nan 8.210 nan 0.000 0.467 358 L N 7.285 128.526 121.223 0.031 0.000 2.375 358 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 358 L C -2.101 174.779 176.870 0.016 0.000 1.107 358 L CA -1.949 52.910 54.840 0.030 0.000 0.806 358 L CB 0.138 42.218 42.059 0.035 0.000 1.146 358 L HN 0.274 nan 8.230 nan 0.000 0.447 359 P HA -0.029 nan 4.420 nan 0.000 0.264 359 P C -0.755 176.549 177.300 0.006 0.000 1.193 359 P CA 0.031 63.133 63.100 0.003 0.000 0.763 359 P CB 0.388 32.084 31.700 -0.007 0.000 0.810 360 E N 3.106 123.310 120.200 0.006 0.000 2.044 360 E HA 0.084 4.434 4.350 -0.000 0.000 0.282 360 E C 0.139 176.743 176.600 0.006 0.000 1.031 360 E CA -0.355 56.049 56.400 0.006 0.000 0.824 360 E CB 0.102 29.805 29.700 0.005 0.000 1.076 360 E HN 0.280 nan 8.360 nan 0.000 0.395 361 N N 3.630 122.335 118.700 0.008 0.000 2.282 361 N HA 0.067 4.807 4.740 -0.000 0.000 0.185 361 N C -0.775 174.741 175.510 0.009 0.000 1.099 361 N CA 0.304 53.359 53.050 0.009 0.000 0.878 361 N CB 0.552 39.046 38.487 0.012 0.000 0.993 361 N HN 0.492 nan 8.380 nan 0.000 0.481 362 E N -0.678 119.528 120.200 0.009 0.000 2.439 362 E HA 0.422 4.772 4.350 -0.000 0.000 0.279 362 E C -2.939 173.665 176.600 0.007 0.000 1.077 362 E CA -1.506 54.899 56.400 0.008 0.000 0.849 362 E CB 0.424 30.131 29.700 0.010 0.000 1.408 362 E HN -0.165 nan 8.360 nan 0.000 0.457 363 P HA 0.320 nan 4.420 nan 0.000 0.286 363 P C -0.026 177.275 177.300 0.003 0.000 1.261 363 P CA -0.380 62.722 63.100 0.004 0.000 0.821 363 P CB 1.126 32.828 31.700 0.003 0.000 1.013 371 K N 0.479 120.877 120.400 -0.002 0.000 2.401 371 K HA 0.749 5.069 4.320 -0.000 0.000 0.278 371 K C -0.357 176.241 176.600 -0.004 0.000 1.018 371 K CA 0.033 56.317 56.287 -0.004 0.000 0.981 371 K CB 1.454 33.951 32.500 -0.005 0.000 0.933 371 K HN 0.731 nan 8.250 nan 0.000 0.477 372 V N 3.199 123.110 119.914 -0.005 0.000 2.808 372 V HA 0.428 4.548 4.120 -0.000 0.000 0.308 372 V C -1.070 175.020 176.094 -0.007 0.000 1.099 372 V CA -1.332 60.967 62.300 -0.003 0.000 0.920 372 V CB 2.317 34.140 31.823 0.001 0.000 1.014 372 V HN 1.010 nan 8.190 nan 0.000 0.425 373 N N 3.601 122.297 118.700 -0.006 0.000 2.362 373 N HA 0.547 5.287 4.740 -0.000 0.000 0.299 373 N C -2.683 172.826 175.510 -0.002 0.000 1.170 373 N CA -1.560 51.482 53.050 -0.013 0.000 0.825 373 N CB 2.091 40.569 38.487 -0.015 0.000 1.299 373 N HN 0.396 nan 8.380 nan 0.000 0.502 374 P HA 0.070 nan 4.420 nan 0.000 0.235 374 P C 0.691 178.013 177.300 0.037 0.000 1.765 374 P CA -0.015 63.098 63.100 0.022 0.000 1.034 374 P CB -0.753 30.952 31.700 0.009 0.000 1.984 375 T N -2.135 112.442 114.554 0.039 0.000 2.904 375 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 375 T C 1.700 176.437 174.700 0.063 0.000 1.059 375 T CA 0.785 62.907 62.100 0.036 0.000 1.137 375 T CB -0.358 68.526 68.868 0.027 0.000 0.879 375 T HN 0.074 nan 8.240 nan 0.000 0.467 376 Q N 0.477 120.344 119.800 0.111 0.000 2.167 376 Q HA 0.007 4.346 4.340 -0.000 0.000 0.202 376 Q C 2.703 178.817 176.000 0.190 0.000 0.970 376 Q CA 1.112 57.029 55.803 0.190 0.000 0.855 376 Q CB -0.988 27.918 28.738 0.280 0.000 0.911 376 Q HN 0.634 nan 8.270 nan 0.000 0.438 377 C N 0.929 120.340 119.300 0.186 0.000 2.435 377 C HA -0.097 4.363 4.460 -0.000 0.000 0.279 377 C C 2.465 177.422 174.990 -0.055 0.000 1.321 377 C CA 0.497 59.533 59.018 0.031 0.000 1.752 377 C CB -0.705 27.086 27.740 0.084 0.000 1.959 377 C HN 0.548 nan 8.230 nan 0.000 0.500 378 E N 1.345 121.539 120.200 -0.010 0.000 2.028 378 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 378 E C 2.451 179.031 176.600 -0.033 0.000 0.988 378 E CA 1.292 57.678 56.400 -0.023 0.000 0.799 378 E CB -0.338 29.357 29.700 -0.008 0.000 0.755 378 E HN 0.615 nan 8.360 nan 0.000 0.447 379 A N 1.270 124.079 122.820 -0.018 0.000 1.892 379 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 379 A C 2.192 179.737 177.584 -0.065 0.000 1.188 379 A CA 2.128 54.152 52.037 -0.022 0.000 0.631 379 A CB -0.531 18.474 19.000 0.008 0.000 0.822 379 A HN 0.262 nan 8.150 nan 0.000 0.447 380 M N 0.633 120.161 119.600 -0.120 0.000 2.156 380 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 380 M C 2.116 178.304 176.300 -0.186 0.000 1.067 380 M CA 2.695 57.868 55.300 -0.212 0.000 1.131 380 M CB -0.906 31.410 32.600 -0.474 0.000 1.368 380 M HN 0.534 nan 8.290 nan 0.000 0.416 381 T N -1.802 112.654 114.554 -0.163 0.000 2.904 381 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 381 T C 1.891 176.548 174.700 -0.072 0.000 1.059 381 T CA 1.470 63.501 62.100 -0.115 0.000 1.137 381 T CB -0.593 68.225 68.868 -0.083 0.000 0.879 381 T HN 0.451 nan 8.240 nan 0.000 0.467 382 M N 0.768 120.334 119.600 -0.057 0.000 2.086 382 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 382 M C 2.523 178.798 176.300 -0.042 0.000 1.067 382 M CA 1.306 56.585 55.300 -0.035 0.000 1.116 382 M CB -0.639 31.948 32.600 -0.021 0.000 1.348 382 M HN 0.168 nan 8.290 nan 0.000 0.407 383 V N 0.476 120.352 119.914 -0.063 0.000 2.332 383 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 383 V C 2.610 178.658 176.094 -0.075 0.000 1.055 383 V CA 2.063 64.316 62.300 -0.078 0.000 1.038 383 V CB -1.166 30.602 31.823 -0.092 0.000 0.651 383 V HN 0.527 nan 8.190 nan 0.000 0.450 384 A N -0.053 122.720 122.820 -0.079 0.000 1.858 384 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 384 A C 2.477 180.035 177.584 -0.043 0.000 1.190 384 A CA 2.142 54.137 52.037 -0.071 0.000 0.617 384 A CB -0.975 17.972 19.000 -0.088 0.000 0.827 384 A HN 0.587 nan 8.150 nan 0.000 0.443 385 A N -0.870 121.930 122.820 -0.033 0.000 1.927 385 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 385 A C 2.168 179.756 177.584 0.006 0.000 1.185 385 A CA 2.454 54.484 52.037 -0.010 0.000 0.639 385 A CB -0.619 18.377 19.000 -0.006 0.000 0.820 385 A HN 0.585 nan 8.150 nan 0.000 0.451 386 Q N -0.259 119.542 119.800 0.001 0.000 2.124 386 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 386 Q C 1.835 177.854 176.000 0.031 0.000 0.977 386 Q CA 2.030 57.847 55.803 0.024 0.000 0.850 386 Q CB -0.569 28.170 28.738 0.001 0.000 0.901 386 Q HN 0.356 nan 8.270 nan 0.000 0.429 387 V N 0.342 120.254 119.914 -0.003 0.000 2.407 387 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 387 V C 2.235 178.363 176.094 0.056 0.000 1.055 387 V CA 2.067 64.374 62.300 0.012 0.000 1.049 387 V CB -0.557 31.250 31.823 -0.025 0.000 0.662 387 V HN 0.443 nan 8.190 nan 0.000 0.455 388 M N 0.181 119.806 119.600 0.042 0.000 2.132 388 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 388 M C 2.324 178.685 176.300 0.102 0.000 1.065 388 M CA 2.137 57.477 55.300 0.067 0.000 1.122 388 M CB -0.910 31.710 32.600 0.033 0.000 1.365 388 M HN 0.454 nan 8.290 nan 0.000 0.411 389 G N 0.390 109.236 108.800 0.077 0.000 2.421 389 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 389 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 389 G C 1.276 176.232 174.900 0.094 0.000 1.171 389 G CA 1.111 46.257 45.100 0.077 0.000 0.775 389 G HN 0.354 nan 8.290 nan 0.000 0.543 390 N N 0.168 118.939 118.700 0.119 0.000 2.137 390 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 390 N C 1.840 177.426 175.510 0.126 0.000 1.017 390 N CA 1.408 54.541 53.050 0.138 0.000 0.859 390 N CB -0.564 38.021 38.487 0.164 0.000 1.002 390 N HN 0.549 nan 8.380 nan 0.000 0.428 391 H N 0.193 119.288 119.070 0.043 0.000 2.387 391 H HA 0.066 4.622 4.556 -0.000 0.000 0.299 391 H C 1.768 177.111 175.328 0.025 0.000 1.090 391 H CA 1.136 57.201 56.048 0.028 0.000 1.332 391 H CB -0.135 29.635 29.762 0.013 0.000 1.386 391 H HN -0.046 nan 8.280 nan 0.000 0.516 392 V N 0.510 120.385 119.914 -0.064 0.000 2.358 392 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 392 V C 2.732 178.774 176.094 -0.087 0.000 1.047 392 V CA 1.429 63.665 62.300 -0.107 0.000 1.035 392 V CB -1.226 30.586 31.823 -0.019 0.000 0.658 392 V HN 0.667 nan 8.190 nan 0.000 0.452 393 A N 0.035 122.846 122.820 -0.015 0.000 1.892 393 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 393 A C 2.405 179.987 177.584 -0.004 0.000 1.188 393 A CA 2.312 54.364 52.037 0.024 0.000 0.631 393 A CB -0.777 18.277 19.000 0.091 0.000 0.822 393 A HN 0.339 nan 8.150 nan 0.000 0.447 394 V N -0.352 119.542 119.914 -0.034 0.000 2.343 394 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 394 V C 2.749 178.777 176.094 -0.111 0.000 1.051 394 V CA 2.486 64.762 62.300 -0.039 0.000 1.036 394 V CB -1.243 30.571 31.823 -0.015 0.000 0.654 394 V HN 0.632 nan 8.190 nan 0.000 0.451 395 T N -0.058 114.361 114.554 -0.226 0.000 2.737 395 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 395 T C 1.978 176.572 174.700 -0.176 0.000 1.038 395 T CA 1.604 63.570 62.100 -0.223 0.000 1.144 395 T CB -0.245 68.446 68.868 -0.294 0.000 0.866 395 T HN 0.273 nan 8.240 nan 0.000 0.434 396 V N 1.561 121.378 119.914 -0.161 0.000 2.287 396 V HA -0.155 3.964 4.120 -0.000 0.000 0.248 396 V C 2.861 178.754 176.094 -0.336 0.000 1.053 396 V CA 2.082 64.269 62.300 -0.188 0.000 1.027 396 V CB -1.403 30.349 31.823 -0.118 0.000 0.646 396 V HN 0.611 nan 8.190 nan 0.000 0.447 397 G N -0.126 108.513 108.800 -0.268 0.000 2.418 397 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 397 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 397 G C 1.630 176.311 174.900 -0.364 0.000 1.158 397 G CA 0.889 45.744 45.100 -0.408 0.000 0.771 397 G HN 0.594 nan 8.290 nan 0.000 0.545 398 G N 0.832 109.533 108.800 -0.166 0.000 2.422 398 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 398 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 398 G C 2.161 176.963 174.900 -0.164 0.000 1.146 398 G CA 1.780 46.822 45.100 -0.096 0.000 0.769 398 G HN 0.733 nan 8.290 nan 0.000 0.547 399 S N 0.154 115.725 115.700 -0.216 0.000 2.474 399 S HA 0.005 4.475 4.470 -0.000 0.000 0.235 399 S C 1.542 175.980 174.600 -0.270 0.000 0.997 399 S CA 0.851 58.929 58.200 -0.204 0.000 0.949 399 S CB -0.099 62.992 63.200 -0.183 0.000 0.766 399 S HN 0.245 nan 8.310 nan 0.000 0.517 400 N N 1.678 120.124 118.700 -0.423 0.000 2.275 400 N HA 0.273 5.013 4.740 -0.000 0.000 0.236 400 N C 0.426 175.606 175.510 -0.550 0.000 1.154 400 N CA 0.199 52.928 53.050 -0.535 0.000 0.866 400 N CB 0.716 38.647 38.487 -0.928 0.000 1.093 400 N HN 0.529 nan 8.380 nan 0.000 0.515 401 G N -0.236 108.344 108.800 -0.366 0.000 2.491 401 G HA2 0.074 4.034 3.960 -0.000 0.000 0.238 401 G HA3 0.074 4.034 3.960 -0.000 0.000 0.238 401 G C -0.741 173.862 174.900 -0.494 0.000 1.277 401 G CA 0.071 44.992 45.100 -0.299 0.000 0.851 401 G HN 0.411 nan 8.290 nan 0.000 0.573 402 H N 1.160 120.182 119.070 -0.080 0.000 2.646 402 H HA 0.434 4.990 4.556 -0.000 0.000 0.328 402 H C 0.125 175.342 175.328 -0.185 0.000 0.998 402 H CA -0.739 55.116 56.048 -0.322 0.000 1.225 402 H CB 0.918 30.552 29.762 -0.213 0.000 1.457 402 H HN 0.507 nan 8.280 nan 0.000 0.505 403 F N 0.507 120.547 119.950 0.150 0.000 2.640 403 F HA -0.412 4.115 4.527 -0.000 0.000 0.227 403 F C 1.722 177.577 175.800 0.093 0.000 1.481 403 F CA 1.297 59.358 58.000 0.101 0.000 1.964 403 F CB -0.948 38.108 39.000 0.094 0.000 0.564 403 F HN 0.461 nan 8.300 nan 0.000 0.224 404 E N 0.419 120.812 120.200 0.322 0.000 2.489 404 E HA 0.342 4.692 4.350 -0.000 0.000 0.193 404 E C -0.374 176.327 176.600 0.167 0.000 1.057 404 E CA 0.429 56.964 56.400 0.225 0.000 0.866 404 E CB 0.156 29.984 29.700 0.213 0.000 0.916 404 E HN 0.300 nan 8.360 nan 0.000 0.500 405 L N 0.731 122.050 121.223 0.159 0.000 2.505 405 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 405 L C -1.355 175.579 176.870 0.107 0.000 0.954 405 L CA -0.527 54.386 54.840 0.123 0.000 0.852 405 L CB 1.740 43.879 42.059 0.133 0.000 1.282 405 L HN -0.172 nan 8.230 nan 0.000 0.403 406 N N 3.676 122.423 118.700 0.078 0.000 2.430 406 N HA 0.185 4.925 4.740 -0.000 0.000 0.265 406 N C -0.115 175.515 175.510 0.199 0.000 1.100 406 N CA -0.049 53.072 53.050 0.119 0.000 0.961 406 N CB 1.450 39.991 38.487 0.090 0.000 1.075 406 N HN 0.500 nan 8.380 nan 0.000 0.478 407 V N 1.983 122.015 119.914 0.197 0.000 2.908 407 V HA 0.408 4.528 4.120 -0.000 0.000 0.369 407 V C -0.235 175.771 176.094 -0.147 0.000 1.259 407 V CA -0.344 61.981 62.300 0.041 0.000 1.406 407 V CB -1.387 30.434 31.823 -0.004 0.000 1.475 407 V HN 0.402 nan 8.190 nan 0.000 0.587 408 F N 0.127 120.089 119.950 0.020 0.000 2.764 408 F HA 0.465 4.992 4.527 -0.000 0.000 0.310 408 F C 1.767 177.561 175.800 -0.010 0.000 1.124 408 F CA -0.702 57.307 58.000 0.015 0.000 1.252 408 F CB 0.525 39.544 39.000 0.031 0.000 1.010 408 F HN 0.103 nan 8.300 nan 0.000 0.518 409 K N 0.611 121.034 120.400 0.039 0.000 2.002 409 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 409 K C -0.699 175.911 176.600 0.017 0.000 1.048 409 K CA 1.540 57.820 56.287 -0.011 0.000 0.930 409 K CB -1.434 31.034 32.500 -0.055 0.000 0.714 409 K HN 0.164 nan 8.250 nan 0.000 0.438 410 P HA -0.212 nan 4.420 nan 0.000 0.216 410 P C 1.495 178.718 177.300 -0.128 0.000 1.153 410 P CA 1.208 64.228 63.100 -0.134 0.000 0.858 410 P CB -0.018 31.453 31.700 -0.381 0.000 0.789 411 M N -1.568 117.952 119.600 -0.134 0.000 2.175 411 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 411 M C 1.857 178.189 176.300 0.054 0.000 1.063 411 M CA 1.988 57.253 55.300 -0.059 0.000 1.119 411 M CB -0.960 31.747 32.600 0.179 0.000 1.377 411 M HN -0.048 nan 8.290 nan 0.000 0.415 412 M N -0.446 119.206 119.600 0.086 0.000 2.099 412 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 412 M C 2.080 178.419 176.300 0.066 0.000 1.067 412 M CA 1.359 56.713 55.300 0.089 0.000 1.124 412 M CB -0.554 32.105 32.600 0.099 0.000 1.353 412 M HN 0.284 nan 8.290 nan 0.000 0.410 413 I N 0.459 121.062 120.570 0.054 0.000 2.546 413 I HA -0.180 3.990 4.170 -0.000 0.000 0.255 413 I C 2.206 178.341 176.117 0.031 0.000 1.163 413 I CA 1.419 62.742 61.300 0.038 0.000 1.457 413 I CB -0.373 37.635 38.000 0.013 0.000 1.092 413 I HN 0.046 nan 8.210 nan 0.000 0.434 414 K N 1.275 121.681 120.400 0.010 0.000 2.032 414 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 414 K C 1.784 178.420 176.600 0.060 0.000 1.048 414 K CA 1.905 58.187 56.287 -0.008 0.000 0.927 414 K CB -0.779 31.659 32.500 -0.102 0.000 0.712 414 K HN 0.414 nan 8.250 nan 0.000 0.441 415 N N 0.050 118.802 118.700 0.088 0.000 2.142 415 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 415 N C 1.804 177.401 175.510 0.145 0.000 1.023 415 N CA 1.486 54.623 53.050 0.145 0.000 0.852 415 N CB -0.097 38.472 38.487 0.137 0.000 0.998 415 N HN 0.014 nan 8.380 nan 0.000 0.424 416 V N 2.186 122.161 119.914 0.102 0.000 2.295 416 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 416 V C 2.464 178.601 176.094 0.072 0.000 1.049 416 V CA 1.257 63.605 62.300 0.080 0.000 1.024 416 V CB -0.451 31.407 31.823 0.060 0.000 0.648 416 V HN 0.236 nan 8.190 nan 0.000 0.447 417 L N -0.931 120.337 121.223 0.076 0.000 2.093 417 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 417 L C 2.545 179.484 176.870 0.115 0.000 1.085 417 L CA 1.830 56.713 54.840 0.071 0.000 0.755 417 L CB -0.779 41.310 42.059 0.051 0.000 0.904 417 L HN 0.489 nan 8.230 nan 0.000 0.435 418 H N -0.519 118.567 119.070 0.026 0.000 2.321 418 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 418 H C 2.414 177.759 175.328 0.028 0.000 1.087 418 H CA 1.625 57.692 56.048 0.032 0.000 1.319 418 H CB 0.445 30.235 29.762 0.046 0.000 1.379 418 H HN 0.236 nan 8.280 nan 0.000 0.501 419 S N 0.304 116.023 115.700 0.031 0.000 2.359 419 S HA -0.169 4.300 4.470 -0.000 0.000 0.224 419 S C 2.386 176.959 174.600 -0.045 0.000 1.035 419 S CA 0.968 59.140 58.200 -0.046 0.000 1.018 419 S CB -0.384 62.826 63.200 0.017 0.000 0.876 419 S HN 0.597 nan 8.310 nan 0.000 0.448 420 A N 1.618 124.433 122.820 -0.008 0.000 1.902 420 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 420 A C 2.062 179.637 177.584 -0.016 0.000 1.181 420 A CA 1.962 53.992 52.037 -0.013 0.000 0.623 420 A CB -0.503 18.497 19.000 -0.000 0.000 0.818 420 A HN 0.389 nan 8.150 nan 0.000 0.443 421 R N -0.016 120.479 120.500 -0.007 0.000 2.073 421 R HA 0.088 4.428 4.340 -0.000 0.000 0.229 421 R C 1.877 178.160 176.300 -0.029 0.000 1.120 421 R CA 1.389 57.488 56.100 -0.001 0.000 0.967 421 R CB -0.728 29.589 30.300 0.029 0.000 0.862 421 R HN 0.486 nan 8.270 nan 0.000 0.436 422 L N 0.034 121.206 121.223 -0.085 0.000 2.017 422 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 422 L C 2.376 179.203 176.870 -0.072 0.000 1.073 422 L CA 1.387 56.161 54.840 -0.110 0.000 0.745 422 L CB -0.550 41.377 42.059 -0.220 0.000 0.894 422 L HN 0.224 nan 8.230 nan 0.000 0.432 423 L N -0.487 120.695 121.223 -0.068 0.000 2.046 423 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 423 L C 2.658 179.514 176.870 -0.025 0.000 1.077 423 L CA 1.462 56.271 54.840 -0.051 0.000 0.747 423 L CB -1.101 40.929 42.059 -0.049 0.000 0.896 423 L HN 0.327 nan 8.230 nan 0.000 0.432 424 G N -0.415 108.376 108.800 -0.016 0.000 2.434 424 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.214 424 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.214 424 G C 1.098 176.006 174.900 0.013 0.000 1.202 424 G CA 0.883 45.984 45.100 0.002 0.000 0.788 424 G HN 0.275 nan 8.290 nan 0.000 0.539 425 D N 1.019 121.424 120.400 0.009 0.000 2.123 425 D HA -0.043 4.596 4.640 -0.000 0.000 0.196 425 D C 2.812 179.128 176.300 0.027 0.000 0.992 425 D CA 1.327 55.339 54.000 0.019 0.000 0.833 425 D CB -0.546 40.262 40.800 0.015 0.000 0.954 425 D HN 0.291 nan 8.370 nan 0.000 0.455 426 A N 0.367 123.193 122.820 0.011 0.000 1.908 426 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 426 A C 2.414 180.036 177.584 0.063 0.000 1.181 426 A CA 1.984 54.031 52.037 0.016 0.000 0.627 426 A CB -0.641 18.338 19.000 -0.036 0.000 0.818 426 A HN 0.171 nan 8.150 nan 0.000 0.445 427 S N -0.509 115.224 115.700 0.055 0.000 2.368 427 S HA -0.132 4.337 4.470 -0.000 0.000 0.225 427 S C 1.913 176.586 174.600 0.122 0.000 1.030 427 S CA 1.449 59.710 58.200 0.102 0.000 0.999 427 S CB -0.483 62.757 63.200 0.067 0.000 0.844 427 S HN 0.362 nan 8.310 nan 0.000 0.459 428 V N 1.106 121.068 119.914 0.080 0.000 2.295 428 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 428 V C 2.566 178.706 176.094 0.077 0.000 1.049 428 V CA 2.030 64.371 62.300 0.067 0.000 1.024 428 V CB -0.852 31.000 31.823 0.047 0.000 0.648 428 V HN 0.529 nan 8.190 nan 0.000 0.447 429 S N -0.696 115.058 115.700 0.090 0.000 2.355 429 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 429 S C 1.928 176.610 174.600 0.136 0.000 1.031 429 S CA 1.593 59.849 58.200 0.092 0.000 0.993 429 S CB -0.461 62.789 63.200 0.084 0.000 0.859 429 S HN 0.520 nan 8.310 nan 0.000 0.453 430 F N 2.404 122.357 119.950 0.005 0.000 2.154 430 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 430 F C 2.326 178.136 175.800 0.018 0.000 1.087 430 F CA 1.990 59.993 58.000 0.006 0.000 1.274 430 F CB -0.989 38.008 39.000 -0.006 0.000 1.009 430 F HN 0.222 nan 8.300 nan 0.000 0.485 431 T N -0.231 114.338 114.554 0.026 0.000 2.698 431 T HA -0.159 4.191 4.350 -0.000 0.000 0.260 431 T C 1.780 176.439 174.700 -0.068 0.000 1.044 431 T CA 1.693 63.760 62.100 -0.056 0.000 1.149 431 T CB -0.308 68.574 68.868 0.023 0.000 0.864 431 T HN 0.329 nan 8.240 nan 0.000 0.419 432 E N 1.015 121.204 120.200 -0.019 0.000 2.152 432 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 432 E C 1.537 178.120 176.600 -0.027 0.000 0.983 432 E CA 0.682 57.072 56.400 -0.017 0.000 0.818 432 E CB 0.019 29.722 29.700 0.005 0.000 0.758 432 E HN 0.300 nan 8.360 nan 0.000 0.467 433 N N -1.033 117.651 118.700 -0.027 0.000 2.205 433 N HA 0.058 4.798 4.740 -0.000 0.000 0.201 433 N C 0.668 176.148 175.510 -0.051 0.000 1.128 433 N CA 0.136 53.175 53.050 -0.019 0.000 0.867 433 N CB 0.805 39.302 38.487 0.016 0.000 0.996 433 N HN 0.110 nan 8.380 nan 0.000 0.503 434 C N -1.528 117.688 119.300 -0.139 0.000 3.115 434 C HA 0.225 4.685 4.460 -0.000 0.000 0.281 434 C C 2.346 177.188 174.990 -0.246 0.000 2.312 434 C CA 0.099 58.986 59.018 -0.218 0.000 1.650 434 C CB -0.273 27.243 27.740 -0.374 0.000 1.514 434 C HN 0.036 nan 8.230 nan 0.000 0.707 435 V N 3.137 122.808 119.914 -0.406 0.000 2.250 435 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 435 V C 2.619 178.655 176.094 -0.097 0.000 1.060 435 V CA 2.860 65.017 62.300 -0.239 0.000 1.030 435 V CB -1.150 30.531 31.823 -0.236 0.000 0.643 435 V HN 0.709 nan 8.190 nan 0.000 0.445 436 V N -0.324 119.533 119.914 -0.096 0.000 2.594 436 V HA -0.026 4.094 4.120 -0.000 0.000 0.253 436 V C 2.178 178.240 176.094 -0.054 0.000 1.069 436 V CA 2.209 64.468 62.300 -0.069 0.000 1.082 436 V CB -1.344 30.446 31.823 -0.055 0.000 0.680 436 V HN 0.455 nan 8.190 nan 0.000 0.469 437 G N -0.304 108.471 108.800 -0.042 0.000 2.939 437 G HA2 0.252 4.211 3.960 -0.000 0.000 0.210 437 G HA3 0.252 4.211 3.960 -0.000 0.000 0.210 437 G C 0.644 175.553 174.900 0.015 0.000 1.160 437 G CA -0.311 44.779 45.100 -0.017 0.000 0.770 437 G HN 0.530 nan 8.290 nan 0.000 0.543 438 I N 1.247 121.839 120.570 0.036 0.000 2.826 438 I HA -0.021 4.149 4.170 -0.000 0.000 0.295 438 I C 0.263 176.488 176.117 0.179 0.000 1.213 438 I CA 0.729 62.096 61.300 0.111 0.000 1.436 438 I CB 0.505 38.622 38.000 0.195 0.000 1.348 438 I HN 0.193 nan 8.210 nan 0.000 0.570 439 Q N 4.664 124.540 119.800 0.127 0.000 2.348 439 Q HA 0.676 5.016 4.340 -0.000 0.000 0.271 439 Q C -0.621 175.358 176.000 -0.035 0.000 1.067 439 Q CA -1.019 54.857 55.803 0.122 0.000 0.839 439 Q CB 2.250 31.024 28.738 0.060 0.000 1.354 439 Q HN 0.771 nan 8.270 nan 0.000 0.447 440 A N 2.025 124.733 122.820 -0.187 0.000 2.362 440 A HA 0.155 4.475 4.320 -0.000 0.000 0.276 440 A C -0.038 177.463 177.584 -0.139 0.000 1.153 440 A CA -0.385 51.449 52.037 -0.338 0.000 0.813 440 A CB 0.048 18.714 19.000 -0.557 0.000 1.081 440 A HN 0.639 nan 8.150 nan 0.000 0.507 441 N N 2.824 121.460 118.700 -0.106 0.000 2.819 441 N HA -0.014 4.726 4.740 -0.000 0.000 0.284 441 N C 1.421 176.896 175.510 -0.059 0.000 1.196 441 N CA 0.685 53.700 53.050 -0.058 0.000 1.114 441 N CB 0.151 38.616 38.487 -0.036 0.000 1.437 441 N HN 0.716 nan 8.380 nan 0.000 0.518 442 T N -1.784 112.736 114.554 -0.056 0.000 2.833 442 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 442 T C 1.566 176.251 174.700 -0.025 0.000 1.054 442 T CA 1.080 63.153 62.100 -0.045 0.000 1.135 442 T CB -0.111 68.737 68.868 -0.033 0.000 0.869 442 T HN 0.257 nan 8.240 nan 0.000 0.466 443 E N 0.871 121.060 120.200 -0.019 0.000 2.110 443 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 443 E C 2.321 178.915 176.600 -0.010 0.000 0.988 443 E CA 1.197 57.590 56.400 -0.012 0.000 0.804 443 E CB -0.340 29.354 29.700 -0.010 0.000 0.745 443 E HN 0.746 nan 8.360 nan 0.000 0.458 444 R N 0.095 120.587 120.500 -0.012 0.000 2.062 444 R HA 0.050 4.389 4.340 -0.000 0.000 0.229 444 R C 2.354 178.650 176.300 -0.006 0.000 1.128 444 R CA 1.508 57.603 56.100 -0.007 0.000 0.960 444 R CB -0.496 29.799 30.300 -0.008 0.000 0.855 444 R HN 0.324 nan 8.270 nan 0.000 0.432 445 I N 1.077 121.637 120.570 -0.015 0.000 2.179 445 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 445 I C 1.631 177.748 176.117 -0.001 0.000 1.088 445 I CA 1.423 62.715 61.300 -0.012 0.000 1.357 445 I CB -0.420 37.560 38.000 -0.034 0.000 1.051 445 I HN 0.256 nan 8.210 nan 0.000 0.409 446 N N 0.816 119.515 118.700 -0.003 0.000 2.104 446 N HA -0.232 4.508 4.740 -0.000 0.000 0.190 446 N C 1.763 177.280 175.510 0.012 0.000 1.024 446 N CA 1.230 54.284 53.050 0.006 0.000 0.853 446 N CB -0.309 38.180 38.487 0.003 0.000 1.008 446 N HN 0.305 nan 8.380 nan 0.000 0.424 447 K N 0.649 121.053 120.400 0.007 0.000 2.057 447 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 447 K C 1.882 178.491 176.600 0.015 0.000 1.050 447 K CA 0.727 57.019 56.287 0.007 0.000 0.935 447 K CB -0.103 32.398 32.500 0.002 0.000 0.715 447 K HN 0.142 nan 8.250 nan 0.000 0.439 448 L N 0.539 121.772 121.223 0.017 0.000 2.056 448 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 448 L C 2.694 179.585 176.870 0.036 0.000 1.078 448 L CA 0.722 55.577 54.840 0.026 0.000 0.749 448 L CB -0.367 41.707 42.059 0.025 0.000 0.901 448 L HN 0.215 nan 8.230 nan 0.000 0.433 449 M N -0.021 119.600 119.600 0.035 0.000 2.073 449 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 449 M C 2.072 178.410 176.300 0.063 0.000 1.070 449 M CA 1.784 57.113 55.300 0.048 0.000 1.103 449 M CB -1.420 31.206 32.600 0.043 0.000 1.321 449 M HN 0.328 nan 8.290 nan 0.000 0.405 450 N N 0.378 119.110 118.700 0.053 0.000 2.289 450 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 450 N C 1.298 176.837 175.510 0.048 0.000 1.016 450 N CA 1.065 54.149 53.050 0.056 0.000 0.872 450 N CB -0.267 38.235 38.487 0.025 0.000 0.973 450 N HN 0.570 nan 8.380 nan 0.000 0.433 451 E N 0.397 120.621 120.200 0.041 0.000 2.474 451 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 451 E C 0.149 176.784 176.600 0.059 0.000 1.041 451 E CA -0.200 56.223 56.400 0.038 0.000 0.874 451 E CB 0.320 30.034 29.700 0.024 0.000 0.914 451 E HN 0.258 nan 8.360 nan 0.000 0.498 452 S N 0.068 115.811 115.700 0.071 0.000 2.592 452 S HA 0.187 4.657 4.470 -0.000 0.000 0.271 452 S C 0.844 175.504 174.600 0.101 0.000 1.326 452 S CA -0.512 57.736 58.200 0.080 0.000 1.024 452 S CB 1.045 64.288 63.200 0.072 0.000 0.921 452 S HN 0.136 nan 8.310 nan 0.000 0.527 453 L N 1.643 122.927 121.223 0.102 0.000 2.592 453 L HA 0.123 4.463 4.340 -0.000 0.000 0.227 453 L C 2.319 179.245 176.870 0.093 0.000 1.127 453 L CA 0.090 54.996 54.840 0.110 0.000 0.884 453 L CB -0.644 41.484 42.059 0.115 0.000 1.065 453 L HN 0.840 nan 8.230 nan 0.000 0.457 454 M N -0.956 118.692 119.600 0.080 0.000 2.296 454 M HA -0.112 4.368 4.480 -0.000 0.000 0.265 454 M C 1.674 178.014 176.300 0.066 0.000 1.064 454 M CA 1.816 57.154 55.300 0.065 0.000 1.109 454 M CB -0.445 32.189 32.600 0.056 0.000 1.396 454 M HN 0.188 nan 8.290 nan 0.000 0.430 455 L N 0.172 121.444 121.223 0.082 0.000 2.478 455 L HA -0.007 4.333 4.340 -0.000 0.000 0.223 455 L C 2.572 179.477 176.870 0.059 0.000 1.140 455 L CA -0.144 54.739 54.840 0.071 0.000 0.842 455 L CB -0.558 41.555 42.059 0.090 0.000 0.953 455 L HN 0.255 nan 8.230 nan 0.000 0.452 456 V N 0.870 120.837 119.914 0.088 0.000 2.568 456 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 456 V C 2.666 178.795 176.094 0.058 0.000 1.072 456 V CA 2.592 64.948 62.300 0.092 0.000 1.084 456 V CB -0.429 31.469 31.823 0.124 0.000 0.676 456 V HN 0.759 nan 8.190 nan 0.000 0.469 457 T N -1.933 112.652 114.554 0.051 0.000 2.929 457 T HA -0.092 4.258 4.350 -0.000 0.000 0.271 457 T C 1.867 176.572 174.700 0.009 0.000 1.085 457 T CA 1.270 63.396 62.100 0.043 0.000 1.125 457 T CB -0.614 68.285 68.868 0.051 0.000 0.874 457 T HN 0.618 nan 8.240 nan 0.000 0.494 458 A N 1.465 124.290 122.820 0.008 0.000 2.076 458 A HA 0.156 4.476 4.320 -0.000 0.000 0.220 458 A C 2.304 179.912 177.584 0.040 0.000 1.160 458 A CA 1.136 53.179 52.037 0.010 0.000 0.653 458 A CB -0.771 18.229 19.000 0.001 0.000 0.801 458 A HN 0.611 nan 8.150 nan 0.000 0.455 459 L N -0.760 120.473 121.223 0.017 0.000 2.446 459 L HA -0.054 4.286 4.340 -0.000 0.000 0.219 459 L C 1.920 178.719 176.870 -0.118 0.000 1.116 459 L CA 0.012 54.876 54.840 0.041 0.000 0.844 459 L CB -0.548 41.562 42.059 0.085 0.000 0.970 459 L HN 0.281 nan 8.230 nan 0.000 0.457 460 N N 1.249 119.841 118.700 -0.180 0.000 2.027 460 N HA -0.191 4.549 4.740 -0.000 0.000 0.200 460 N C -0.782 174.390 175.510 -0.563 0.000 1.042 460 N CA 1.968 54.782 53.050 -0.393 0.000 0.871 460 N CB -1.663 36.595 38.487 -0.381 0.000 1.063 460 N HN 0.256 nan 8.380 nan 0.000 0.438 461 P HA -0.076 nan 4.420 nan 0.000 0.223 461 P C 0.525 177.385 177.300 -0.733 0.000 1.151 461 P CA 1.478 64.180 63.100 -0.663 0.000 0.787 461 P CB -0.125 31.152 31.700 -0.705 0.000 0.788 462 H N -0.324 118.390 119.070 -0.592 0.000 2.497 462 H HA 0.182 4.738 4.556 -0.000 0.000 0.282 462 H C 1.864 176.816 175.328 -0.626 0.000 1.003 462 H CA 0.922 56.426 56.048 -0.907 0.000 1.307 462 H CB -0.033 28.650 29.762 -1.799 0.000 1.437 462 H HN 0.202 nan 8.280 nan 0.000 0.544 463 I N -4.157 116.227 120.570 -0.310 0.000 4.442 463 I HA 0.514 4.684 4.170 -0.000 0.000 0.331 463 I C 0.442 176.423 176.117 -0.228 0.000 1.364 463 I CA -0.047 61.141 61.300 -0.187 0.000 1.207 463 I CB 1.154 39.121 38.000 -0.054 0.000 1.298 463 I HN 0.167 nan 8.210 nan 0.000 0.463 464 G N 1.199 109.814 108.800 -0.308 0.000 2.692 464 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 464 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 464 G C -0.392 174.341 174.900 -0.279 0.000 1.243 464 G CA -0.111 44.796 45.100 -0.322 0.000 0.782 464 G HN 0.196 nan 8.290 nan 0.000 0.625 465 Y N 0.784 121.033 120.300 -0.085 0.000 2.293 465 Y HA -0.066 4.483 4.550 -0.000 0.000 0.291 465 Y C 2.749 178.620 175.900 -0.048 0.000 1.137 465 Y CA 2.011 60.075 58.100 -0.060 0.000 1.202 465 Y CB -0.133 38.295 38.460 -0.052 0.000 0.990 465 Y HN 0.727 nan 8.280 nan 0.000 0.537 466 D N 0.284 120.740 120.400 0.093 0.000 2.149 466 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 466 D C 1.481 177.780 176.300 -0.001 0.000 0.972 466 D CA 1.235 55.261 54.000 0.043 0.000 0.835 466 D CB -0.476 40.338 40.800 0.024 0.000 0.966 466 D HN 0.255 nan 8.370 nan 0.000 0.476 467 K N 0.560 120.896 120.400 -0.106 0.000 2.057 467 K HA 0.080 4.400 4.320 -0.000 0.000 0.206 467 K C 2.359 178.956 176.600 -0.004 0.000 1.050 467 K CA 1.118 57.263 56.287 -0.237 0.000 0.935 467 K CB -0.158 31.941 32.500 -0.668 0.000 0.715 467 K HN 0.172 nan 8.250 nan 0.000 0.439 468 A N 1.738 124.563 122.820 0.008 0.000 1.877 468 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 468 A C 2.407 180.060 177.584 0.114 0.000 1.186 468 A CA 1.947 54.033 52.037 0.081 0.000 0.620 468 A CB -0.756 18.268 19.000 0.039 0.000 0.822 468 A HN 0.331 nan 8.150 nan 0.000 0.443 469 A N -0.484 122.396 122.820 0.099 0.000 1.902 469 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 469 A C 2.393 180.040 177.584 0.104 0.000 1.181 469 A CA 2.943 55.034 52.037 0.090 0.000 0.623 469 A CB -0.980 18.063 19.000 0.072 0.000 0.818 469 A HN 0.743 nan 8.150 nan 0.000 0.443 470 K N 0.064 120.542 120.400 0.129 0.000 2.063 470 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 470 K C 1.857 178.566 176.600 0.182 0.000 1.048 470 K CA 1.688 58.073 56.287 0.164 0.000 0.928 470 K CB -1.074 31.565 32.500 0.232 0.000 0.713 470 K HN 0.577 nan 8.250 nan 0.000 0.442 471 I N 0.531 121.238 120.570 0.227 0.000 2.142 471 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 471 I C 3.045 179.255 176.117 0.154 0.000 1.078 471 I CA 1.253 62.676 61.300 0.204 0.000 1.343 471 I CB -0.304 37.852 38.000 0.261 0.000 1.046 471 I HN 0.421 nan 8.210 nan 0.000 0.405 472 A N 1.034 123.940 122.820 0.142 0.000 1.858 472 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 472 A C 2.630 180.285 177.584 0.118 0.000 1.190 472 A CA 2.787 54.897 52.037 0.121 0.000 0.617 472 A CB -1.105 17.948 19.000 0.089 0.000 0.827 472 A HN 0.362 nan 8.150 nan 0.000 0.443 473 K N -1.039 119.418 120.400 0.094 0.000 2.074 473 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 473 K C 2.088 178.765 176.600 0.128 0.000 1.048 473 K CA 2.572 58.916 56.287 0.095 0.000 0.926 473 K CB -1.844 30.698 32.500 0.071 0.000 0.713 473 K HN 0.549 nan 8.250 nan 0.000 0.444 474 T N -0.042 114.578 114.554 0.110 0.000 2.812 474 T HA 0.154 4.504 4.350 -0.000 0.000 0.264 474 T C 2.412 177.159 174.700 0.079 0.000 1.042 474 T CA 1.138 63.288 62.100 0.084 0.000 1.140 474 T CB -0.347 68.560 68.868 0.066 0.000 0.870 474 T HN 0.630 nan 8.240 nan 0.000 0.445 475 A N 0.805 123.681 122.820 0.093 0.000 1.969 475 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 475 A C 1.986 179.623 177.584 0.090 0.000 1.169 475 A CA 1.883 53.966 52.037 0.076 0.000 0.635 475 A CB -0.805 18.247 19.000 0.086 0.000 0.810 475 A HN 0.617 nan 8.150 nan 0.000 0.445 476 H N 0.036 119.126 119.070 0.034 0.000 2.321 476 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 476 H C 1.877 177.218 175.328 0.021 0.000 1.087 476 H CA 1.988 58.053 56.048 0.029 0.000 1.319 476 H CB 0.154 29.935 29.762 0.032 0.000 1.379 476 H HN 0.209 nan 8.280 nan 0.000 0.501 477 K N 0.220 120.668 120.400 0.081 0.000 2.097 477 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 477 K C 1.394 177.981 176.600 -0.023 0.000 1.050 477 K CA 0.981 57.279 56.287 0.018 0.000 0.938 477 K CB -0.077 32.458 32.500 0.057 0.000 0.718 477 K HN 0.437 nan 8.250 nan 0.000 0.442 478 N N -0.219 118.476 118.700 -0.008 0.000 2.353 478 N HA 0.014 4.754 4.740 -0.000 0.000 0.185 478 N C 0.821 176.312 175.510 -0.031 0.000 1.098 478 N CA 0.885 53.925 53.050 -0.017 0.000 0.872 478 N CB 0.628 39.111 38.487 -0.007 0.000 0.970 478 N HN 0.345 nan 8.380 nan 0.000 0.467 479 G N 0.926 109.698 108.800 -0.045 0.000 2.160 479 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 479 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 479 G C 0.049 174.933 174.900 -0.027 0.000 1.008 479 G CA 0.689 45.760 45.100 -0.048 0.000 0.724 479 G HN 0.495 nan 8.290 nan 0.000 0.514 480 S N -0.706 114.985 115.700 -0.016 0.000 2.718 480 S HA 0.833 5.303 4.470 -0.000 0.000 0.300 480 S C 0.451 175.047 174.600 -0.007 0.000 1.117 480 S CA 0.146 58.335 58.200 -0.018 0.000 1.002 480 S CB 1.703 64.889 63.200 -0.024 0.000 1.092 480 S HN 1.432 nan 8.310 nan 0.000 0.542 481 T N -0.535 114.003 114.554 -0.027 0.000 2.860 481 T HA 0.300 4.650 4.350 -0.000 0.000 0.299 481 T C 1.457 176.148 174.700 -0.015 0.000 1.045 481 T CA -0.743 61.342 62.100 -0.025 0.000 1.071 481 T CB -0.133 68.688 68.868 -0.078 0.000 0.985 481 T HN 0.517 nan 8.240 nan 0.000 0.537 482 L N 0.611 121.862 121.223 0.047 0.000 2.013 482 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 482 L C 3.028 179.892 176.870 -0.010 0.000 1.073 482 L CA 1.968 56.892 54.840 0.140 0.000 0.753 482 L CB -0.670 41.603 42.059 0.356 0.000 0.890 482 L HN 0.838 nan 8.230 nan 0.000 0.432 483 K N 0.341 120.457 120.400 -0.474 0.000 2.026 483 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 483 K C 1.980 178.328 176.600 -0.420 0.000 1.048 483 K CA 1.660 57.315 56.287 -1.052 0.000 0.929 483 K CB -0.018 31.663 32.500 -1.365 0.000 0.713 483 K HN 0.304 nan 8.250 nan 0.000 0.439 484 E N -0.533 119.507 120.200 -0.267 0.000 2.070 484 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 484 E C 1.910 178.445 176.600 -0.108 0.000 1.004 484 E CA 2.070 58.377 56.400 -0.155 0.000 0.805 484 E CB -0.032 29.603 29.700 -0.109 0.000 0.744 484 E HN 0.343 nan 8.360 nan 0.000 0.451 485 T N 0.339 114.851 114.554 -0.071 0.000 2.812 485 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 485 T C 1.929 176.600 174.700 -0.048 0.000 1.042 485 T CA 0.929 63.006 62.100 -0.039 0.000 1.140 485 T CB -0.201 68.675 68.868 0.013 0.000 0.870 485 T HN 0.255 nan 8.240 nan 0.000 0.445 486 A N 1.397 124.237 122.820 0.033 0.000 1.892 486 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 486 A C 2.256 179.837 177.584 -0.005 0.000 1.188 486 A CA 1.496 53.600 52.037 0.112 0.000 0.631 486 A CB -0.858 18.346 19.000 0.340 0.000 0.822 486 A HN 0.521 nan 8.150 nan 0.000 0.447 487 I N -0.564 119.980 120.570 -0.043 0.000 2.202 487 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 487 I C 3.096 179.156 176.117 -0.094 0.000 1.091 487 I CA 1.487 62.748 61.300 -0.065 0.000 1.368 487 I CB -0.668 37.278 38.000 -0.090 0.000 1.058 487 I HN 0.534 nan 8.210 nan 0.000 0.410 488 E N 1.217 121.353 120.200 -0.106 0.000 2.058 488 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 488 E C 2.343 178.849 176.600 -0.157 0.000 0.997 488 E CA 2.043 58.378 56.400 -0.108 0.000 0.801 488 E CB -1.492 28.155 29.700 -0.090 0.000 0.746 488 E HN 0.470 nan 8.360 nan 0.000 0.450 489 L N -0.755 120.310 121.223 -0.264 0.000 2.362 489 L HA 0.472 4.812 4.340 -0.000 0.000 0.219 489 L C 2.804 179.395 176.870 -0.466 0.000 1.134 489 L CA 2.012 56.568 54.840 -0.473 0.000 0.807 489 L CB -1.374 40.121 42.059 -0.940 0.000 0.927 489 L HN 1.408 nan 8.230 nan 0.000 0.447 490 G N -3.194 105.440 108.800 -0.276 0.000 2.157 490 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.239 490 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.239 490 G C 0.586 175.532 174.900 0.077 0.000 0.982 490 G CA 0.545 45.597 45.100 -0.080 0.000 0.650 490 G HN 0.641 nan 8.290 nan 0.000 0.527 491 Y N -0.383 119.964 120.300 0.079 0.000 2.439 491 Y HA 0.416 4.966 4.550 -0.000 0.000 0.292 491 Y C 1.500 177.486 175.900 0.143 0.000 1.130 491 Y CA 0.871 59.040 58.100 0.115 0.000 1.254 491 Y CB -0.175 38.370 38.460 0.140 0.000 1.000 491 Y HN 0.739 nan 8.280 nan 0.000 0.554 492 L N -4.171 117.194 121.223 0.236 0.000 2.838 492 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 492 L C -0.300 176.580 176.870 0.016 0.000 1.040 492 L CA -1.442 53.468 54.840 0.117 0.000 0.906 492 L CB 1.076 43.208 42.059 0.122 0.000 1.501 492 L HN -0.193 nan 8.230 nan 0.000 0.407 493 T N -2.322 112.186 114.554 -0.077 0.000 2.927 493 T HA 0.708 5.058 4.350 -0.000 0.000 0.281 493 T C 1.209 175.851 174.700 -0.096 0.000 0.998 493 T CA -0.125 61.925 62.100 -0.083 0.000 1.019 493 T CB 1.501 70.313 68.868 -0.094 0.000 1.061 493 T HN 1.232 nan 8.240 nan 0.000 0.518 494 A N 0.907 123.678 122.820 -0.081 0.000 1.986 494 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 494 A C 2.092 179.632 177.584 -0.072 0.000 1.171 494 A CA 2.008 54.000 52.037 -0.075 0.000 0.640 494 A CB -1.043 17.907 19.000 -0.084 0.000 0.811 494 A HN 0.920 nan 8.150 nan 0.000 0.451 495 E N -0.271 119.858 120.200 -0.120 0.000 2.072 495 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 495 E C 2.247 178.682 176.600 -0.275 0.000 0.982 495 E CA 1.353 57.664 56.400 -0.147 0.000 0.803 495 E CB -0.275 29.349 29.700 -0.126 0.000 0.755 495 E HN 0.768 nan 8.360 nan 0.000 0.453 496 Q N -0.506 119.027 119.800 -0.445 0.000 2.046 496 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 496 Q C 1.992 177.414 176.000 -0.964 0.000 0.975 496 Q CA 1.179 56.374 55.803 -1.014 0.000 0.836 496 Q CB -0.256 27.684 28.738 -1.329 0.000 0.896 496 Q HN 0.283 nan 8.270 nan 0.000 0.428 497 F N 2.000 121.618 119.950 -0.553 0.000 2.126 497 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 497 F C 1.493 177.201 175.800 -0.154 0.000 1.096 497 F CA 1.548 59.406 58.000 -0.237 0.000 1.255 497 F CB 0.103 39.038 39.000 -0.109 0.000 0.997 497 F HN 0.058 nan 8.300 nan 0.000 0.479 498 D N 0.463 120.922 120.400 0.098 0.000 2.144 498 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 498 D C 2.445 178.723 176.300 -0.037 0.000 0.978 498 D CA 1.581 55.621 54.000 0.066 0.000 0.833 498 D CB -0.792 40.030 40.800 0.037 0.000 0.961 498 D HN 0.569 nan 8.370 nan 0.000 0.470 499 E N 0.719 120.835 120.200 -0.140 0.000 2.072 499 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 499 E C 1.913 178.518 176.600 0.008 0.000 0.985 499 E CA 0.944 57.287 56.400 -0.094 0.000 0.801 499 E CB -1.147 28.463 29.700 -0.150 0.000 0.750 499 E HN 0.278 nan 8.360 nan 0.000 0.452 500 W N -0.068 121.073 121.300 -0.266 0.000 2.413 500 W HA 0.199 4.859 4.660 -0.000 0.000 0.315 500 W C 1.370 177.736 176.519 -0.256 0.000 1.186 500 W CA 0.380 57.476 57.345 -0.416 0.000 1.326 500 W CB -0.973 28.102 29.460 -0.641 0.000 1.153 500 W HN 0.160 nan 8.180 nan 0.000 0.489 501 V N 2.907 122.754 119.914 -0.112 0.000 2.352 501 V HA 0.456 4.576 4.120 -0.000 0.000 0.253 501 V C -0.017 176.061 176.094 -0.027 0.000 1.083 501 V CA 0.292 62.504 62.300 -0.147 0.000 0.993 501 V CB -0.384 31.183 31.823 -0.426 0.000 1.111 501 V HN 0.081 nan 8.190 nan 0.000 0.490 502 K N 7.239 127.647 120.400 0.013 0.000 2.530 502 K HA 0.566 4.885 4.320 -0.000 0.000 0.230 502 K C -2.108 174.510 176.600 0.031 0.000 1.002 502 K CA -1.290 55.014 56.287 0.030 0.000 1.014 502 K CB 0.879 33.400 32.500 0.034 0.000 1.286 502 K HN 0.572 nan 8.250 nan 0.000 0.480 503 P HA -0.301 nan 4.420 nan 0.000 0.218 503 P C 1.112 178.429 177.300 0.029 0.000 1.146 503 P CA 1.470 64.591 63.100 0.034 0.000 0.820 503 P CB 0.262 31.986 31.700 0.040 0.000 0.778 504 K N -0.813 119.603 120.400 0.027 0.000 2.365 504 K HA -0.087 4.233 4.320 -0.000 0.000 0.199 504 K C 0.602 177.215 176.600 0.022 0.000 1.045 504 K CA 1.307 57.608 56.287 0.023 0.000 0.962 504 K CB -0.442 32.072 32.500 0.022 0.000 0.759 504 K HN 0.033 nan 8.250 nan 0.000 0.469 505 D N 0.720 121.135 120.400 0.024 0.000 2.328 505 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 505 D C 0.550 176.862 176.300 0.020 0.000 1.072 505 D CA 0.522 54.535 54.000 0.022 0.000 0.850 505 D CB 0.320 41.137 40.800 0.028 0.000 0.922 505 D HN 0.332 nan 8.370 nan 0.000 0.516 506 M N 0.114 119.726 119.600 0.021 0.000 2.685 506 M HA 0.243 4.723 4.480 -0.000 0.000 0.355 506 M C 0.696 177.007 176.300 0.018 0.000 1.197 506 M CA 0.078 55.390 55.300 0.020 0.000 0.947 506 M CB 1.053 33.667 32.600 0.024 0.000 1.346 506 M HN -0.138 nan 8.290 nan 0.000 0.516 507 L N -0.242 120.990 121.223 0.016 0.000 3.069 507 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 507 L C 0.474 177.350 176.870 0.011 0.000 1.201 507 L CA -0.392 54.457 54.840 0.014 0.000 1.015 507 L CB 0.900 42.968 42.059 0.015 0.000 1.371 507 L HN 0.372 nan 8.230 nan 0.000 0.574 508 G N -0.071 108.735 108.800 0.010 0.000 2.547 508 G HA2 0.484 4.444 3.960 -0.000 0.000 0.291 508 G HA3 0.484 4.444 3.960 -0.000 0.000 0.291 508 G C -2.695 172.208 174.900 0.006 0.000 1.471 508 G CA -0.549 44.556 45.100 0.007 0.000 0.798 508 G HN -0.142 nan 8.290 nan 0.000 0.504 509 P HA 0.000 nan 4.420 nan 0.000 0.216 509 P CA 0.000 63.102 63.100 0.003 0.000 0.800 509 P CB 0.000 31.702 31.700 0.003 0.000 0.726