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 1szu_1_B DATA FIRST_RESID 2 DATA SEQUENCE NSNKELMQRR SQAIPRGVGQ IHPIFADRAE NCRVWDVEGR EYLDFAGGIA DATA SEQUENCE VLNTGHLHPK VVAAVEAQLK KLSHTCFQVL AYEPYLELCE IMNQKVPGDF DATA SEQUENCE AKKTLLVTTG SEAVENAVKI ARAATKRSGT IAFSGAYHGR THYTLALTGK DATA SEQUENCE VNPYSAGMGL MPGHVYRALY PCPLHGISED DAIASIHRIF KNDAAPEDIA DATA SEQUENCE AIVIEPVQGE GGFYASSPAF MQRLRALCDE HGIMLIADEA QSGAGRTGTL DATA SEQUENCE FAMEQMGVAP DLTTFAKSIA GGFPLAGVTG RAEVMDAVAP GGLGGTYAGN DATA SEQUENCE PIACVAALEV LKVFEQENLL QKANDLGQKL KDGLLAIAEK HPEIGDVRGL DATA SEQUENCE GAMIAIELFE DGDHNKPDAK LTAEIVARAR DKGLILLSCG PYYNVLRILV DATA SEQUENCE PLTIEDAQIR QGLEIISQCF DEAKQ 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.484 175.510 -0.043 0.000 1.280 2 N CA 0.000 53.021 53.050 -0.048 0.000 0.885 2 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 3 S N -0.490 115.163 115.700 -0.078 0.000 2.571 3 S HA 0.441 4.912 4.470 0.001 0.000 0.284 3 S C 0.162 174.706 174.600 -0.093 0.000 1.128 3 S CA -0.580 57.586 58.200 -0.056 0.000 0.970 3 S CB 0.917 64.086 63.200 -0.051 0.000 1.039 3 S HN 0.178 nan 8.310 nan 0.000 0.485 4 N N 3.914 122.602 118.700 -0.020 0.000 2.061 4 N HA -0.101 4.640 4.740 0.001 0.000 0.193 4 N C 1.323 176.819 175.510 -0.023 0.000 1.030 4 N CA 1.503 54.565 53.050 0.020 0.000 0.856 4 N CB -0.179 38.381 38.487 0.121 0.000 1.023 4 N HN 0.671 nan 8.380 nan 0.000 0.424 5 K N 0.912 121.307 120.400 -0.007 0.000 2.148 5 K HA -0.115 4.205 4.320 0.001 0.000 0.204 5 K C 1.924 178.492 176.600 -0.053 0.000 1.050 5 K CA 0.719 57.001 56.287 -0.008 0.000 0.942 5 K CB -0.035 32.466 32.500 0.003 0.000 0.724 5 K HN 0.360 nan 8.250 nan 0.000 0.446 6 E N 1.384 121.530 120.200 -0.091 0.000 2.051 6 E HA -0.182 4.169 4.350 0.001 0.000 0.192 6 E C 1.966 178.458 176.600 -0.179 0.000 0.991 6 E CA 0.864 57.198 56.400 -0.110 0.000 0.799 6 E CB 0.014 29.650 29.700 -0.107 0.000 0.748 6 E HN 0.213 nan 8.360 nan 0.000 0.449 7 L N 0.218 121.231 121.223 -0.350 0.000 2.046 7 L HA -0.184 4.156 4.340 0.001 0.000 0.208 7 L C 2.782 179.449 176.870 -0.338 0.000 1.077 7 L CA 0.716 55.156 54.840 -0.667 0.000 0.747 7 L CB -0.385 40.646 42.059 -1.714 0.000 0.896 7 L HN 0.289 nan 8.230 nan 0.000 0.432 8 M N -0.440 119.114 119.600 -0.077 0.000 2.149 8 M HA -0.232 4.249 4.480 0.001 0.000 0.261 8 M C 2.315 178.657 176.300 0.071 0.000 1.064 8 M CA 1.682 57.078 55.300 0.160 0.000 1.102 8 M CB -0.930 31.759 32.600 0.147 0.000 1.369 8 M HN 0.265 nan 8.290 nan 0.000 0.408 9 Q N 0.724 120.527 119.800 0.005 0.000 2.050 9 Q HA -0.112 4.228 4.340 0.001 0.000 0.202 9 Q C 1.965 177.967 176.000 0.004 0.000 0.980 9 Q CA 1.874 57.678 55.803 0.002 0.000 0.840 9 Q CB -0.224 28.503 28.738 -0.018 0.000 0.898 9 Q HN 0.435 nan 8.270 nan 0.000 0.424 10 R N -0.314 120.175 120.500 -0.018 0.000 2.120 10 R HA -0.069 4.271 4.340 0.001 0.000 0.234 10 R C 2.496 178.820 176.300 0.041 0.000 1.123 10 R CA 1.331 57.428 56.100 -0.006 0.000 0.975 10 R CB -0.346 29.929 30.300 -0.041 0.000 0.866 10 R HN 0.250 nan 8.270 nan 0.000 0.446 11 R N 0.875 121.428 120.500 0.088 0.000 2.081 11 R HA -0.126 4.215 4.340 0.001 0.000 0.235 11 R C 2.189 178.536 176.300 0.078 0.000 1.131 11 R CA 2.030 58.212 56.100 0.136 0.000 0.960 11 R CB -0.164 30.279 30.300 0.238 0.000 0.856 11 R HN 0.269 nan 8.270 nan 0.000 0.436 12 S N -0.219 115.517 115.700 0.059 0.000 2.474 12 S HA -0.065 4.405 4.470 0.001 0.000 0.235 12 S C 1.573 176.189 174.600 0.027 0.000 0.997 12 S CA 0.545 58.767 58.200 0.037 0.000 0.949 12 S CB 0.172 63.389 63.200 0.028 0.000 0.766 12 S HN 0.344 nan 8.310 nan 0.000 0.517 13 Q N 0.447 120.263 119.800 0.026 0.000 2.373 13 Q HA 0.402 4.742 4.340 0.001 0.000 0.210 13 Q C 2.063 178.076 176.000 0.023 0.000 0.913 13 Q CA 1.125 56.939 55.803 0.019 0.000 0.911 13 Q CB -0.201 28.544 28.738 0.013 0.000 1.040 13 Q HN 0.712 nan 8.270 nan 0.000 0.521 14 A N -0.138 122.700 122.820 0.031 0.000 2.140 14 A HA 0.295 4.615 4.320 0.001 0.000 0.209 14 A C 0.882 178.487 177.584 0.035 0.000 1.181 14 A CA 0.056 52.112 52.037 0.032 0.000 0.824 14 A CB 0.535 19.557 19.000 0.038 0.000 0.879 14 A HN 0.168 nan 8.150 nan 0.000 0.480 15 I N 1.595 122.188 120.570 0.038 0.000 2.509 15 I HA 0.322 4.492 4.170 0.001 0.000 0.293 15 I C -2.333 173.800 176.117 0.026 0.000 1.020 15 I CA -2.469 58.852 61.300 0.034 0.000 1.088 15 I CB 2.222 40.246 38.000 0.040 0.000 1.267 15 I HN 0.039 nan 8.210 nan 0.000 0.430 16 P HA 0.055 nan 4.420 nan 0.000 0.267 16 P C 0.085 177.393 177.300 0.014 0.000 1.200 16 P CA -0.265 62.846 63.100 0.017 0.000 0.772 16 P CB 0.615 32.326 31.700 0.018 0.000 0.855 17 R N 1.351 121.857 120.500 0.010 0.000 2.237 17 R HA -0.034 4.306 4.340 0.001 0.000 0.219 17 R C 2.110 178.412 176.300 0.003 0.000 1.080 17 R CA 1.303 57.405 56.100 0.004 0.000 0.995 17 R CB -1.517 28.783 30.300 0.000 0.000 0.875 17 R HN 0.506 nan 8.270 nan 0.000 0.462 18 G N 1.501 110.306 108.800 0.009 0.000 2.475 18 G HA2 -0.179 3.782 3.960 0.001 0.000 0.220 18 G HA3 -0.179 3.782 3.960 0.001 0.000 0.220 18 G C 0.516 175.426 174.900 0.016 0.000 1.125 18 G CA 0.686 45.794 45.100 0.014 0.000 0.755 18 G HN 0.184 nan 8.290 nan 0.000 0.565 19 V N 1.939 121.860 119.914 0.011 0.000 2.387 19 V HA 0.498 4.619 4.120 0.001 0.000 0.260 19 V C 1.256 177.345 176.094 -0.008 0.000 1.054 19 V CA -0.517 61.786 62.300 0.005 0.000 0.967 19 V CB 0.269 32.093 31.823 0.001 0.000 1.036 19 V HN 0.290 nan 8.190 nan 0.000 0.481 20 G N 3.712 112.505 108.800 -0.012 0.000 2.667 20 G HA2 0.394 4.354 3.960 0.001 0.000 0.250 20 G HA3 0.394 4.354 3.960 0.001 0.000 0.250 20 G C -0.344 174.526 174.900 -0.050 0.000 1.212 20 G CA -0.157 44.924 45.100 -0.032 0.000 0.874 20 G HN 0.632 nan 8.290 nan 0.000 0.561 21 Q N -0.170 119.589 119.800 -0.067 0.000 2.533 21 Q HA 0.278 4.618 4.340 0.001 0.000 0.251 21 Q C 1.000 176.925 176.000 -0.124 0.000 0.966 21 Q CA -0.639 55.113 55.803 -0.086 0.000 0.714 21 Q CB 0.857 29.556 28.738 -0.065 0.000 1.284 21 Q HN 0.297 nan 8.270 nan 0.000 0.478 22 I N 1.486 121.959 120.570 -0.162 0.000 2.127 22 I HA -0.177 3.994 4.170 0.001 0.000 0.241 22 I C 0.462 176.283 176.117 -0.493 0.000 1.075 22 I CA 1.403 62.514 61.300 -0.314 0.000 1.334 22 I CB -0.652 37.161 38.000 -0.310 0.000 1.040 22 I HN 0.580 nan 8.210 nan 0.000 0.405 23 H N 1.940 120.956 119.070 -0.090 0.000 2.539 23 H HA 0.264 4.820 4.556 0.001 0.000 0.332 23 H C -1.920 173.354 175.328 -0.090 0.000 1.031 23 H CA -1.991 54.001 56.048 -0.094 0.000 1.206 23 H CB 1.577 31.258 29.762 -0.135 0.000 1.446 23 H HN 0.045 nan 8.280 nan 0.000 0.496 24 P HA 0.206 nan 4.420 nan 0.000 0.220 24 P C -0.216 177.155 177.300 0.118 0.000 1.778 24 P CA 0.220 63.360 63.100 0.067 0.000 0.912 24 P CB -0.302 31.438 31.700 0.066 0.000 1.861 25 I N 0.504 121.106 120.570 0.053 0.000 2.509 25 I HA 0.359 4.530 4.170 0.001 0.000 0.293 25 I C -0.289 175.849 176.117 0.034 0.000 1.020 25 I CA -1.121 60.213 61.300 0.056 0.000 1.088 25 I CB 1.803 39.711 38.000 -0.154 0.000 1.267 25 I HN -0.161 nan 8.210 nan 0.000 0.430 26 F N 4.474 124.402 119.950 -0.036 0.000 2.332 26 F HA 0.519 5.046 4.527 0.001 0.000 0.368 26 F C 0.743 176.530 175.800 -0.021 0.000 1.110 26 F CA -0.553 57.433 58.000 -0.023 0.000 1.087 26 F CB 1.327 40.326 39.000 -0.001 0.000 1.235 26 F HN 0.421 nan 8.300 nan 0.000 0.470 27 A N 2.647 125.494 122.820 0.045 0.000 2.425 27 A HA 0.217 4.537 4.320 0.001 0.000 0.249 27 A C 0.788 178.430 177.584 0.096 0.000 1.084 27 A CA 0.025 52.084 52.037 0.035 0.000 0.781 27 A CB 0.309 19.279 19.000 -0.050 0.000 1.019 27 A HN 0.821 nan 8.150 nan 0.000 0.490 28 D N 0.241 120.713 120.400 0.120 0.000 2.525 28 D HA 0.111 4.751 4.640 0.001 0.000 0.248 28 D C 0.664 177.020 176.300 0.093 0.000 1.000 28 D CA 0.753 54.819 54.000 0.110 0.000 0.923 28 D CB 0.256 41.124 40.800 0.114 0.000 1.101 28 D HN 0.728 nan 8.370 nan 0.000 0.493 29 R N -0.769 119.815 120.500 0.140 0.000 2.734 29 R HA 0.831 5.171 4.340 0.001 0.000 0.271 29 R C -1.722 174.709 176.300 0.219 0.000 1.021 29 R CA -1.125 55.058 56.100 0.137 0.000 0.893 29 R CB 1.486 31.838 30.300 0.087 0.000 1.244 29 R HN -0.033 nan 8.270 nan 0.000 0.464 30 A N 0.577 123.488 122.820 0.152 0.000 2.612 30 A HA 0.634 4.955 4.320 0.001 0.000 0.293 30 A C -1.668 176.021 177.584 0.175 0.000 1.075 30 A CA -0.682 51.384 52.037 0.047 0.000 0.680 30 A CB 2.354 20.975 19.000 -0.633 0.000 1.279 30 A HN 0.830 nan 8.150 nan 0.000 0.411 31 E N 1.383 121.708 120.200 0.209 0.000 2.313 31 E HA 0.399 4.750 4.350 0.001 0.000 0.280 31 E C 0.333 177.043 176.600 0.183 0.000 0.898 31 E CA -0.017 56.523 56.400 0.234 0.000 0.803 31 E CB 0.994 30.874 29.700 0.300 0.000 1.286 31 E HN 0.992 nan 8.360 nan 0.000 0.401 32 N N 2.102 120.920 118.700 0.195 0.000 2.057 32 N HA -0.354 4.386 4.740 0.001 0.000 0.158 32 N C 0.292 175.913 175.510 0.186 0.000 0.489 32 N CA 2.447 55.587 53.050 0.151 0.000 1.377 32 N CB -1.124 37.416 38.487 0.087 0.000 1.348 32 N HN 0.578 nan 8.380 nan 0.000 0.413 33 C N 1.646 121.014 119.300 0.114 0.000 3.038 33 C HA 0.362 4.823 4.460 0.001 0.000 0.279 33 C C 0.271 175.270 174.990 0.015 0.000 1.276 33 C CA -0.422 58.661 59.018 0.108 0.000 1.697 33 C CB -1.158 26.637 27.740 0.091 0.000 2.032 33 C HN 0.267 nan 8.230 nan 0.000 0.636 34 R N 0.618 121.063 120.500 -0.092 0.000 2.407 34 R HA 0.709 5.049 4.340 0.001 0.000 0.303 34 R C -1.118 174.867 176.300 -0.524 0.000 0.981 34 R CA -0.114 55.743 56.100 -0.406 0.000 0.905 34 R CB 1.568 31.480 30.300 -0.646 0.000 1.099 34 R HN 0.012 nan 8.270 nan 0.000 0.459 35 V N 2.308 121.865 119.914 -0.595 0.000 2.789 35 V HA 0.451 4.572 4.120 0.001 0.000 0.311 35 V C -0.822 175.054 176.094 -0.363 0.000 1.073 35 V CA -0.920 61.148 62.300 -0.387 0.000 0.921 35 V CB 2.265 33.924 31.823 -0.274 0.000 1.009 35 V HN 0.667 nan 8.190 nan 0.000 0.426 36 W N 2.583 123.904 121.300 0.036 0.000 2.656 36 W HA 0.441 5.101 4.660 0.001 0.000 0.327 36 W C -0.432 176.144 176.519 0.096 0.000 1.041 36 W CA -0.685 56.719 57.345 0.098 0.000 1.229 36 W CB 2.315 31.797 29.460 0.037 0.000 1.397 36 W HN 0.820 nan 8.180 nan 0.000 0.479 37 D N -0.821 119.797 120.400 0.363 0.000 2.478 37 D HA 0.162 4.802 4.640 0.001 0.000 0.269 37 D C 1.178 177.606 176.300 0.213 0.000 1.232 37 D CA -0.513 53.635 54.000 0.246 0.000 1.059 37 D CB 0.162 41.114 40.800 0.253 0.000 1.104 37 D HN 0.111 nan 8.370 nan 0.000 0.566 38 V N -3.190 116.825 119.914 0.168 0.000 3.186 38 V HA -0.073 4.047 4.120 0.001 0.000 0.270 38 V C 1.179 177.327 176.094 0.089 0.000 1.149 38 V CA 1.344 63.710 62.300 0.110 0.000 1.160 38 V CB -1.197 30.668 31.823 0.071 0.000 0.758 38 V HN 0.531 nan 8.190 nan 0.000 0.516 39 E N 0.494 120.764 120.200 0.116 0.000 2.481 39 E HA 0.377 4.728 4.350 0.001 0.000 0.198 39 E C 1.669 178.330 176.600 0.101 0.000 1.027 39 E CA 0.442 56.896 56.400 0.089 0.000 0.900 39 E CB 0.499 30.250 29.700 0.086 0.000 0.993 39 E HN 0.772 nan 8.360 nan 0.000 0.482 40 G N 2.350 111.242 108.800 0.153 0.000 2.159 40 G HA2 -0.344 3.616 3.960 0.001 0.000 0.256 40 G HA3 -0.344 3.616 3.960 0.001 0.000 0.256 40 G C 0.309 175.360 174.900 0.252 0.000 0.977 40 G CA 0.220 45.431 45.100 0.185 0.000 0.652 40 G HN 0.239 nan 8.290 nan 0.000 0.531 41 R N 0.991 121.604 120.500 0.187 0.000 2.438 41 R HA 0.446 4.787 4.340 0.001 0.000 0.287 41 R C 0.043 176.312 176.300 -0.051 0.000 1.077 41 R CA -0.260 55.853 56.100 0.022 0.000 1.034 41 R CB 0.415 30.666 30.300 -0.082 0.000 0.993 41 R HN 0.405 nan 8.270 nan 0.000 0.459 42 E N 3.170 123.211 120.200 -0.266 0.000 2.231 42 E HA 0.193 4.543 4.350 0.001 0.000 0.277 42 E C -1.435 174.785 176.600 -0.633 0.000 0.999 42 E CA -0.523 55.577 56.400 -0.500 0.000 0.827 42 E CB 0.738 30.186 29.700 -0.420 0.000 1.101 42 E HN 0.439 nan 8.360 nan 0.000 0.393 43 Y N 1.712 121.757 120.300 -0.426 0.000 2.576 43 Y HA 0.384 4.934 4.550 0.001 0.000 0.346 43 Y C -0.562 175.152 175.900 -0.310 0.000 1.018 43 Y CA -1.073 56.844 58.100 -0.305 0.000 1.050 43 Y CB 1.204 39.511 38.460 -0.256 0.000 1.280 43 Y HN 0.395 nan 8.280 nan 0.000 0.474 44 L N 2.445 123.626 121.223 -0.070 0.000 2.272 44 L HA 0.442 4.783 4.340 0.001 0.000 0.289 44 L C -0.783 176.094 176.870 0.012 0.000 1.032 44 L CA -0.437 54.363 54.840 -0.067 0.000 0.810 44 L CB 0.772 42.755 42.059 -0.126 0.000 1.205 44 L HN 0.594 nan 8.230 nan 0.000 0.422 45 D N 3.875 124.335 120.400 0.100 0.000 2.380 45 D HA 0.139 4.780 4.640 0.001 0.000 0.230 45 D C -0.022 176.478 176.300 0.334 0.000 1.154 45 D CA 0.098 54.191 54.000 0.155 0.000 0.859 45 D CB 0.296 41.186 40.800 0.151 0.000 1.045 45 D HN 0.393 nan 8.370 nan 0.000 0.495 46 F N 2.054 121.988 119.950 -0.027 0.000 2.653 46 F HA 0.337 4.865 4.527 0.001 0.000 0.304 46 F C 1.642 177.434 175.800 -0.013 0.000 1.092 46 F CA -0.318 57.672 58.000 -0.016 0.000 1.279 46 F CB 0.243 39.231 39.000 -0.020 0.000 1.044 46 F HN 0.504 nan 8.300 nan 0.000 0.564 47 A N -0.826 122.073 122.820 0.131 0.000 2.108 47 A HA 0.456 4.777 4.320 0.001 0.000 0.206 47 A C 1.926 179.528 177.584 0.030 0.000 1.212 47 A CA 0.617 52.694 52.037 0.066 0.000 0.843 47 A CB -0.727 18.307 19.000 0.058 0.000 0.902 47 A HN 0.392 nan 8.150 nan 0.000 0.477 48 G N -0.505 108.310 108.800 0.024 0.000 2.341 48 G HA2 0.128 4.088 3.960 0.001 0.000 0.292 48 G HA3 0.128 4.088 3.960 0.001 0.000 0.292 48 G C 1.437 176.304 174.900 -0.055 0.000 1.021 48 G CA 0.826 45.904 45.100 -0.037 0.000 0.905 48 G HN 2.030 nan 8.290 nan 0.000 0.508 49 G N -0.488 108.300 108.800 -0.020 0.000 2.258 49 G HA2 -0.100 3.861 3.960 0.001 0.000 0.274 49 G HA3 -0.100 3.861 3.960 0.001 0.000 0.274 49 G C 0.750 175.638 174.900 -0.020 0.000 1.021 49 G CA 0.397 45.483 45.100 -0.024 0.000 0.798 49 G HN 2.180 nan 8.290 nan 0.000 0.507 50 I N -3.716 116.850 120.570 -0.006 0.000 6.382 50 I HA -0.166 4.005 4.170 0.001 0.000 0.126 50 I C 1.370 177.494 176.117 0.011 0.000 1.824 50 I CA 0.410 61.712 61.300 0.003 0.000 2.038 50 I CB -1.989 36.002 38.000 -0.014 0.000 3.480 50 I HN 2.159 nan 8.210 nan 0.000 0.169 51 A N 1.340 124.170 122.820 0.015 0.000 2.887 51 A HA -0.204 4.116 4.320 0.001 0.000 0.257 51 A C 0.969 178.555 177.584 0.003 0.000 1.372 51 A CA 1.248 53.294 52.037 0.015 0.000 0.879 51 A CB -1.806 17.212 19.000 0.030 0.000 1.082 51 A HN 0.885 nan 8.150 nan 0.000 0.703 52 V N -1.009 118.896 119.914 -0.015 0.000 3.590 52 V HA 0.167 4.288 4.120 0.001 0.000 0.265 52 V C 1.193 177.265 176.094 -0.036 0.000 1.239 52 V CA 1.539 63.830 62.300 -0.015 0.000 1.117 52 V CB 0.116 31.921 31.823 -0.031 0.000 0.818 52 V HN 0.576 nan 8.190 nan 0.000 0.451 53 L N 0.328 121.507 121.223 -0.072 0.000 3.100 53 L HA 0.357 4.697 4.340 0.001 0.000 0.259 53 L C 1.171 178.004 176.870 -0.062 0.000 1.316 53 L CA 0.042 54.817 54.840 -0.108 0.000 0.992 53 L CB -0.465 41.427 42.059 -0.278 0.000 1.390 53 L HN 0.231 nan 8.230 nan 0.000 0.550 54 N N 0.192 118.889 118.700 -0.006 0.000 2.272 54 N HA -0.149 4.592 4.740 0.001 0.000 0.185 54 N C 1.312 176.773 175.510 -0.082 0.000 1.014 54 N CA 1.692 54.742 53.050 0.001 0.000 0.870 54 N CB 0.175 38.747 38.487 0.142 0.000 0.975 54 N HN 0.463 nan 8.380 nan 0.000 0.433 55 T N -1.895 112.617 114.554 -0.069 0.000 3.163 55 T HA 0.419 4.770 4.350 0.001 0.000 0.252 55 T C 0.820 175.539 174.700 0.033 0.000 1.056 55 T CA -0.131 61.908 62.100 -0.102 0.000 0.947 55 T CB 0.307 69.085 68.868 -0.151 0.000 1.016 55 T HN 0.310 nan 8.240 nan 0.000 0.554 56 G N 1.291 110.088 108.800 -0.005 0.000 2.814 56 G HA2 -0.167 3.793 3.960 0.001 0.000 0.677 56 G HA3 -0.167 3.793 3.960 0.001 0.000 0.677 56 G C -0.810 174.097 174.900 0.011 0.000 1.429 56 G CA -0.967 44.143 45.100 0.017 0.000 0.868 56 G HN 0.585 nan 8.290 nan 0.000 0.553 57 H N 0.483 119.591 119.070 0.063 0.000 2.803 57 H HA 0.260 4.816 4.556 0.001 0.000 0.330 57 H C 1.521 176.906 175.328 0.095 0.000 1.057 57 H CA 0.877 56.964 56.048 0.064 0.000 1.458 57 H CB 0.459 30.255 29.762 0.056 0.000 1.470 57 H HN 0.724 nan 8.280 nan 0.000 0.560 58 L N 2.960 124.314 121.223 0.219 0.000 3.762 58 L HA -0.257 4.084 4.340 0.001 0.000 0.460 58 L C 0.738 177.723 176.870 0.191 0.000 1.255 58 L CA 0.324 55.292 54.840 0.213 0.000 0.783 58 L CB -1.508 40.658 42.059 0.179 0.000 1.600 58 L HN 0.709 nan 8.230 nan 0.000 0.862 59 H N 3.630 122.767 119.070 0.112 0.000 3.070 59 H HA 0.024 4.580 4.556 0.001 0.000 0.313 59 H C -1.188 174.183 175.328 0.071 0.000 0.997 59 H CA -0.596 55.495 56.048 0.071 0.000 1.438 59 H CB 1.286 31.073 29.762 0.041 0.000 1.455 59 H HN 0.159 nan 8.280 nan 0.000 0.575 60 P HA -0.208 nan 4.420 nan 0.000 0.217 60 P C 1.170 178.540 177.300 0.117 0.000 1.148 60 P CA 1.247 64.346 63.100 -0.002 0.000 0.828 60 P CB 0.470 32.114 31.700 -0.093 0.000 0.783 61 K N -0.186 120.392 120.400 0.297 0.000 2.025 61 K HA -0.023 4.297 4.320 0.001 0.000 0.207 61 K C 2.267 178.962 176.600 0.159 0.000 1.049 61 K CA 0.792 57.218 56.287 0.232 0.000 0.933 61 K CB -1.340 31.318 32.500 0.263 0.000 0.714 61 K HN 0.098 nan 8.250 nan 0.000 0.438 62 V N 1.411 121.451 119.914 0.210 0.000 2.343 62 V HA -0.193 3.927 4.120 0.001 0.000 0.247 62 V C 2.521 178.643 176.094 0.046 0.000 1.051 62 V CA 1.368 63.721 62.300 0.087 0.000 1.036 62 V CB -0.445 31.454 31.823 0.127 0.000 0.654 62 V HN -0.034 nan 8.190 nan 0.000 0.451 63 V N 0.252 120.237 119.914 0.118 0.000 2.358 63 V HA -0.206 3.915 4.120 0.001 0.000 0.246 63 V C 2.711 178.830 176.094 0.042 0.000 1.047 63 V CA 1.857 64.217 62.300 0.100 0.000 1.035 63 V CB -1.090 30.815 31.823 0.136 0.000 0.658 63 V HN 0.550 nan 8.190 nan 0.000 0.452 64 A N 0.072 122.919 122.820 0.045 0.000 1.940 64 A HA -0.138 4.183 4.320 0.001 0.000 0.219 64 A C 2.416 180.002 177.584 0.003 0.000 1.176 64 A CA 2.147 54.199 52.037 0.026 0.000 0.631 64 A CB -0.724 18.296 19.000 0.032 0.000 0.814 64 A HN 0.565 nan 8.150 nan 0.000 0.446 65 A N -0.635 122.179 122.820 -0.011 0.000 1.877 65 A HA 0.003 4.324 4.320 0.001 0.000 0.216 65 A C 2.232 179.775 177.584 -0.068 0.000 1.186 65 A CA 1.723 53.739 52.037 -0.035 0.000 0.620 65 A CB -1.005 17.968 19.000 -0.045 0.000 0.822 65 A HN 0.386 nan 8.150 nan 0.000 0.443 66 V N 0.011 119.852 119.914 -0.122 0.000 2.332 66 V HA -0.304 3.816 4.120 0.001 0.000 0.248 66 V C 2.468 178.523 176.094 -0.065 0.000 1.055 66 V CA 2.482 64.681 62.300 -0.168 0.000 1.038 66 V CB -0.805 30.843 31.823 -0.293 0.000 0.651 66 V HN 0.661 nan 8.190 nan 0.000 0.450 67 E N -0.212 119.974 120.200 -0.023 0.000 2.077 67 E HA -0.207 4.143 4.350 0.001 0.000 0.193 67 E C 2.302 178.901 176.600 -0.002 0.000 0.989 67 E CA 1.364 57.765 56.400 0.002 0.000 0.800 67 E CB -0.358 29.352 29.700 0.017 0.000 0.746 67 E HN 0.615 nan 8.360 nan 0.000 0.452 68 A N 0.753 123.569 122.820 -0.007 0.000 1.902 68 A HA -0.272 4.049 4.320 0.001 0.000 0.217 68 A C 2.133 179.713 177.584 -0.007 0.000 1.181 68 A CA 1.778 53.813 52.037 -0.003 0.000 0.623 68 A CB -0.497 18.503 19.000 -0.002 0.000 0.818 68 A HN 0.160 nan 8.150 nan 0.000 0.443 69 Q N -0.738 119.051 119.800 -0.018 0.000 2.119 69 Q HA -0.066 4.275 4.340 0.001 0.000 0.201 69 Q C 1.729 177.718 176.000 -0.018 0.000 0.972 69 Q CA 1.375 57.166 55.803 -0.021 0.000 0.847 69 Q CB -0.520 28.195 28.738 -0.038 0.000 0.903 69 Q HN 0.470 nan 8.270 nan 0.000 0.433 70 L N 0.127 121.341 121.223 -0.014 0.000 2.353 70 L HA -0.094 4.246 4.340 0.001 0.000 0.220 70 L C 1.258 178.130 176.870 0.004 0.000 1.133 70 L CA 1.610 56.449 54.840 -0.001 0.000 0.798 70 L CB -0.149 41.916 42.059 0.011 0.000 0.922 70 L HN 0.039 nan 8.230 nan 0.000 0.445 71 K N -0.613 119.788 120.400 0.003 0.000 2.361 71 K HA 0.030 4.350 4.320 0.001 0.000 0.196 71 K C 1.711 178.314 176.600 0.005 0.000 1.039 71 K CA 0.632 56.922 56.287 0.006 0.000 1.001 71 K CB 0.226 32.730 32.500 0.007 0.000 0.795 71 K HN 0.434 nan 8.250 nan 0.000 0.495 72 K N 0.165 120.565 120.400 -0.000 0.000 2.216 72 K HA 0.138 4.459 4.320 0.001 0.000 0.207 72 K C 0.249 176.844 176.600 -0.008 0.000 1.041 72 K CA 0.481 56.767 56.287 -0.001 0.000 0.966 72 K CB 0.242 32.742 32.500 0.000 0.000 0.955 72 K HN -0.036 nan 8.250 nan 0.000 0.468 73 L N -3.303 117.906 121.223 -0.023 0.000 2.866 73 L HA 0.300 4.640 4.340 0.001 0.000 0.262 73 L C 0.005 176.846 176.870 -0.049 0.000 0.986 73 L CA -0.673 54.148 54.840 -0.032 0.000 0.925 73 L CB 1.615 43.642 42.059 -0.053 0.000 1.484 73 L HN 0.015 nan 8.230 nan 0.000 0.414 74 S N -1.451 114.240 115.700 -0.014 0.000 2.549 74 S HA 0.427 4.898 4.470 0.001 0.000 0.225 74 S C 0.097 174.734 174.600 0.061 0.000 1.039 74 S CA 0.802 59.008 58.200 0.010 0.000 0.942 74 S CB -0.358 62.869 63.200 0.046 0.000 0.881 74 S HN 1.219 nan 8.310 nan 0.000 0.503 75 H N -0.128 118.904 119.070 -0.063 0.000 3.140 75 H HA 0.465 5.022 4.556 0.001 0.000 0.336 75 H C -0.010 175.325 175.328 0.011 0.000 1.142 75 H CA 0.339 56.379 56.048 -0.014 0.000 1.308 75 H CB 1.433 31.253 29.762 0.096 0.000 1.970 75 H HN 0.071 nan 8.280 nan 0.000 0.521 76 T N 0.659 114.789 114.554 -0.708 0.000 3.073 76 T HA 0.121 4.471 4.350 0.001 0.000 0.264 76 T C 0.258 174.711 174.700 -0.412 0.000 0.893 76 T CA 0.419 62.288 62.100 -0.386 0.000 0.863 76 T CB -0.632 68.200 68.868 -0.060 0.000 1.247 76 T HN 1.218 nan 8.240 nan 0.000 0.546 77 C N 1.853 120.865 119.300 -0.480 0.000 2.024 77 C HA -0.176 4.285 4.460 0.001 0.000 0.262 77 C C 1.088 176.145 174.990 0.112 0.000 0.752 77 C CA -0.459 58.547 59.018 -0.021 0.000 3.025 77 C CB -2.785 24.982 27.740 0.043 0.000 1.723 77 C HN 0.646 nan 8.230 nan 0.000 0.317 78 F N 3.027 123.015 119.950 0.063 0.000 2.082 78 F HA -0.275 4.253 4.527 0.001 0.000 0.298 78 F C 2.100 177.753 175.800 -0.244 0.000 1.091 78 F CA 2.793 60.624 58.000 -0.281 0.000 1.230 78 F CB -0.140 38.469 39.000 -0.652 0.000 0.983 78 F HN 0.858 nan 8.300 nan 0.000 0.485 79 Q N -0.742 119.036 119.800 -0.038 0.000 2.234 79 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 79 Q C 2.146 178.057 176.000 -0.148 0.000 0.980 79 Q CA 1.842 57.594 55.803 -0.085 0.000 0.869 79 Q CB -0.401 28.345 28.738 0.013 0.000 0.912 79 Q HN 0.405 nan 8.270 nan 0.000 0.436 80 V N 0.001 119.843 119.914 -0.120 0.000 2.283 80 V HA -0.009 4.111 4.120 0.001 0.000 0.239 80 V C 0.894 176.892 176.094 -0.160 0.000 1.035 80 V CA 0.974 63.212 62.300 -0.103 0.000 1.018 80 V CB -0.003 31.791 31.823 -0.047 0.000 0.658 80 V HN 0.209 nan 8.190 nan 0.000 0.459 81 L N 0.075 121.195 121.223 -0.172 0.000 2.381 81 L HA 0.715 5.056 4.340 0.001 0.000 0.274 81 L C -0.103 176.573 176.870 -0.323 0.000 0.988 81 L CA -0.528 54.200 54.840 -0.188 0.000 0.824 81 L CB 1.663 43.681 42.059 -0.068 0.000 1.263 81 L HN 0.259 nan 8.230 nan 0.000 0.410 82 A N 3.167 125.657 122.820 -0.550 0.000 2.280 82 A HA 0.741 5.061 4.320 0.001 0.000 0.268 82 A C -1.155 176.258 177.584 -0.285 0.000 1.111 82 A CA 0.042 51.492 52.037 -0.979 0.000 0.814 82 A CB 0.550 18.934 19.000 -1.028 0.000 1.093 82 A HN 0.665 nan 8.150 nan 0.000 0.498 83 Y N -3.692 116.602 120.300 -0.011 0.000 2.558 83 Y HA 0.497 5.048 4.550 0.001 0.000 0.333 83 Y C 0.320 176.351 175.900 0.219 0.000 1.125 83 Y CA -0.887 57.276 58.100 0.105 0.000 1.039 83 Y CB 0.634 39.164 38.460 0.117 0.000 1.331 83 Y HN 0.699 nan 8.280 nan 0.000 0.456 84 E N 1.070 121.449 120.200 0.298 0.000 2.085 84 E HA -0.111 4.240 4.350 0.001 0.000 0.194 84 E C -1.127 175.623 176.600 0.250 0.000 0.994 84 E CA 1.696 58.231 56.400 0.225 0.000 0.801 84 E CB -0.910 28.879 29.700 0.148 0.000 0.743 84 E HN 0.591 nan 8.360 nan 0.000 0.453 85 P HA -0.195 nan 4.420 nan 0.000 0.216 85 P C 0.974 178.429 177.300 0.258 0.000 1.150 85 P CA 1.119 64.368 63.100 0.248 0.000 0.837 85 P CB -0.086 31.761 31.700 0.245 0.000 0.786 86 Y N 0.037 120.453 120.300 0.193 0.000 2.109 86 Y HA -0.211 4.340 4.550 0.001 0.000 0.285 86 Y C 2.201 178.045 175.900 -0.093 0.000 1.131 86 Y CA 0.915 58.995 58.100 -0.034 0.000 1.121 86 Y CB -0.896 37.339 38.460 -0.374 0.000 0.987 86 Y HN -0.224 nan 8.280 nan 0.000 0.495 87 L N 1.151 122.563 121.223 0.314 0.000 2.013 87 L HA -0.274 4.066 4.340 0.001 0.000 0.212 87 L C 2.245 179.188 176.870 0.123 0.000 1.073 87 L CA 2.521 57.489 54.840 0.212 0.000 0.753 87 L CB -1.050 41.124 42.059 0.192 0.000 0.890 87 L HN 0.459 nan 8.230 nan 0.000 0.432 88 E N -1.071 119.196 120.200 0.112 0.000 2.110 88 E HA -0.251 4.100 4.350 0.001 0.000 0.193 88 E C 2.181 178.796 176.600 0.025 0.000 0.988 88 E CA 1.317 57.755 56.400 0.064 0.000 0.804 88 E CB -0.201 29.539 29.700 0.067 0.000 0.745 88 E HN 0.475 nan 8.360 nan 0.000 0.458 89 L N 0.513 121.741 121.223 0.010 0.000 2.056 89 L HA -0.146 4.194 4.340 0.001 0.000 0.207 89 L C 2.240 179.073 176.870 -0.061 0.000 1.078 89 L CA 1.507 56.321 54.840 -0.043 0.000 0.749 89 L CB -0.675 41.344 42.059 -0.067 0.000 0.901 89 L HN 0.272 nan 8.230 nan 0.000 0.433 90 C N 0.020 119.291 119.300 -0.047 0.000 2.413 90 C HA -0.187 4.273 4.460 0.001 0.000 0.276 90 C C 2.559 177.542 174.990 -0.013 0.000 1.236 90 C CA 1.175 60.178 59.018 -0.026 0.000 1.735 90 C CB -1.020 26.727 27.740 0.013 0.000 2.031 90 C HN 0.601 nan 8.230 nan 0.000 0.474 91 E N 0.599 120.801 120.200 0.003 0.000 2.058 91 E HA -0.194 4.157 4.350 0.001 0.000 0.194 91 E C 2.056 178.641 176.600 -0.024 0.000 0.997 91 E CA 1.285 57.684 56.400 -0.000 0.000 0.801 91 E CB -0.161 29.546 29.700 0.012 0.000 0.746 91 E HN 0.539 nan 8.360 nan 0.000 0.450 92 I N 0.756 121.305 120.570 -0.035 0.000 2.179 92 I HA -0.251 3.919 4.170 0.001 0.000 0.242 92 I C 2.314 178.383 176.117 -0.080 0.000 1.088 92 I CA 1.299 62.566 61.300 -0.053 0.000 1.357 92 I CB -0.965 36.999 38.000 -0.061 0.000 1.051 92 I HN 0.223 nan 8.210 nan 0.000 0.409 93 M N 0.643 120.177 119.600 -0.110 0.000 2.159 93 M HA -0.158 4.323 4.480 0.001 0.000 0.263 93 M C 1.924 178.159 176.300 -0.109 0.000 1.063 93 M CA 1.329 56.535 55.300 -0.156 0.000 1.110 93 M CB -1.654 30.808 32.600 -0.230 0.000 1.374 93 M HN 0.282 nan 8.290 nan 0.000 0.411 94 N N 0.684 119.346 118.700 -0.063 0.000 2.149 94 N HA -0.166 4.575 4.740 0.001 0.000 0.188 94 N C 1.725 177.191 175.510 -0.074 0.000 1.019 94 N CA 1.225 54.246 53.050 -0.049 0.000 0.857 94 N CB -0.291 38.187 38.487 -0.016 0.000 0.997 94 N HN 0.574 nan 8.380 nan 0.000 0.426 95 Q N 0.208 119.968 119.800 -0.068 0.000 2.137 95 Q HA 0.079 4.420 4.340 0.001 0.000 0.198 95 Q C 1.621 177.573 176.000 -0.080 0.000 0.960 95 Q CA 0.728 56.488 55.803 -0.071 0.000 0.847 95 Q CB 0.157 28.864 28.738 -0.052 0.000 0.915 95 Q HN 0.228 nan 8.270 nan 0.000 0.448 96 K N 0.393 120.750 120.400 -0.072 0.000 2.186 96 K HA 0.074 4.395 4.320 0.001 0.000 0.202 96 K C 0.578 177.158 176.600 -0.033 0.000 1.052 96 K CA 0.313 56.579 56.287 -0.035 0.000 0.965 96 K CB 0.142 32.641 32.500 -0.002 0.000 0.746 96 K HN 0.029 nan 8.250 nan 0.000 0.457 97 V N 5.602 125.412 119.914 -0.174 0.000 2.572 97 V HA 0.037 4.157 4.120 0.001 0.000 0.291 97 V C -2.043 173.905 176.094 -0.243 0.000 1.039 97 V CA -1.504 60.563 62.300 -0.390 0.000 1.055 97 V CB 0.738 32.261 31.823 -0.499 0.000 0.969 97 V HN 0.161 nan 8.190 nan 0.000 0.482 98 P HA 0.239 nan 4.420 nan 0.000 0.264 98 P C 0.031 177.176 177.300 -0.257 0.000 1.183 98 P CA 0.513 63.517 63.100 -0.161 0.000 0.763 98 P CB 0.709 32.361 31.700 -0.079 0.000 0.807 99 G N 2.913 111.483 108.800 -0.383 0.000 2.088 99 G HA2 0.136 4.097 3.960 0.001 0.000 0.222 99 G HA3 0.136 4.097 3.960 0.001 0.000 0.222 99 G C -0.058 174.330 174.900 -0.853 0.000 1.690 99 G CA -0.417 44.166 45.100 -0.863 0.000 0.923 99 G HN 0.512 nan 8.290 nan 0.000 0.730 100 D N 0.341 120.339 120.400 -0.669 0.000 2.349 100 D HA 0.177 4.818 4.640 0.001 0.000 0.224 100 D C 0.765 176.905 176.300 -0.266 0.000 1.029 100 D CA 0.120 53.915 54.000 -0.342 0.000 0.879 100 D CB -0.209 40.509 40.800 -0.136 0.000 0.906 100 D HN 0.418 nan 8.370 nan 0.000 0.528 101 F N -0.007 119.931 119.950 -0.020 0.000 2.411 101 F HA 0.794 5.321 4.527 0.001 0.000 0.324 101 F C 0.440 176.229 175.800 -0.019 0.000 1.086 101 F CA -2.414 55.575 58.000 -0.018 0.000 1.028 101 F CB 0.170 39.160 39.000 -0.018 0.000 1.284 101 F HN -0.072 nan 8.300 nan 0.000 0.501 102 A N 1.409 124.378 122.820 0.248 0.000 2.425 102 A HA 0.525 4.846 4.320 0.001 0.000 0.249 102 A C -0.250 177.474 177.584 0.234 0.000 1.084 102 A CA -0.601 51.526 52.037 0.150 0.000 0.781 102 A CB -0.071 18.988 19.000 0.098 0.000 1.019 102 A HN 0.807 nan 8.150 nan 0.000 0.490 103 K N 1.335 121.813 120.400 0.130 0.000 2.400 103 K HA 0.620 4.940 4.320 0.001 0.000 0.246 103 K C -1.043 175.601 176.600 0.073 0.000 0.995 103 K CA -0.860 55.508 56.287 0.135 0.000 0.840 103 K CB 2.386 34.949 32.500 0.105 0.000 1.293 103 K HN 0.633 nan 8.250 nan 0.000 0.445 104 K N 0.736 121.176 120.400 0.067 0.000 2.385 104 K HA 0.447 4.767 4.320 0.001 0.000 0.248 104 K C -1.103 175.529 176.600 0.054 0.000 0.955 104 K CA -0.738 55.581 56.287 0.052 0.000 0.816 104 K CB 2.464 34.992 32.500 0.047 0.000 1.250 104 K HN 0.486 nan 8.250 nan 0.000 0.434 105 T N 1.922 116.508 114.554 0.055 0.000 2.841 105 T HA 0.406 4.757 4.350 0.001 0.000 0.283 105 T C -1.298 173.431 174.700 0.047 0.000 1.000 105 T CA -0.662 61.478 62.100 0.067 0.000 0.977 105 T CB 1.085 70.003 68.868 0.082 0.000 0.979 105 T HN 0.342 nan 8.240 nan 0.000 0.446 106 L N 4.103 125.340 121.223 0.024 0.000 2.322 106 L HA 0.682 5.022 4.340 0.001 0.000 0.281 106 L C -1.467 175.353 176.870 -0.083 0.000 1.014 106 L CA -0.533 54.310 54.840 0.006 0.000 0.815 106 L CB 0.785 42.846 42.059 0.004 0.000 1.247 106 L HN 0.581 nan 8.230 nan 0.000 0.421 107 L N 6.176 127.295 121.223 -0.172 0.000 2.295 107 L HA 0.722 5.062 4.340 0.001 0.000 0.285 107 L C 0.104 176.918 176.870 -0.094 0.000 1.035 107 L CA -0.742 53.929 54.840 -0.281 0.000 0.806 107 L CB 1.612 43.201 42.059 -0.784 0.000 1.214 107 L HN 0.681 nan 8.230 nan 0.000 0.426 108 V N -0.329 119.537 119.914 -0.079 0.000 3.998 108 V HA 0.576 4.696 4.120 0.001 0.000 0.297 108 V C 0.319 176.434 176.094 0.036 0.000 1.378 108 V CA -0.207 62.097 62.300 0.006 0.000 0.949 108 V CB 1.532 33.342 31.823 -0.023 0.000 1.258 108 V HN 0.701 nan 8.190 nan 0.000 0.471 109 T N 0.457 115.050 114.554 0.065 0.000 3.019 109 T HA 0.269 4.619 4.350 0.001 0.000 0.247 109 T C 0.667 175.401 174.700 0.057 0.000 0.992 109 T CA 0.935 63.090 62.100 0.090 0.000 1.036 109 T CB 0.116 69.081 68.868 0.161 0.000 1.063 109 T HN 1.111 nan 8.240 nan 0.000 0.476 110 T N -1.092 113.486 114.554 0.039 0.000 2.930 110 T HA 0.631 4.982 4.350 0.001 0.000 0.290 110 T C 1.554 176.256 174.700 0.002 0.000 1.052 110 T CA -0.078 62.041 62.100 0.030 0.000 1.017 110 T CB 1.661 70.555 68.868 0.044 0.000 1.137 110 T HN 0.026 nan 8.240 nan 0.000 0.511 111 G N 0.777 109.587 108.800 0.016 0.000 2.442 111 G HA2 -0.157 3.803 3.960 0.001 0.000 0.219 111 G HA3 -0.157 3.803 3.960 0.001 0.000 0.219 111 G C 1.580 176.486 174.900 0.010 0.000 1.141 111 G CA 0.969 46.078 45.100 0.014 0.000 0.763 111 G HN 0.711 nan 8.290 nan 0.000 0.554 112 S N 0.389 116.098 115.700 0.015 0.000 2.356 112 S HA -0.091 4.379 4.470 0.001 0.000 0.223 112 S C 2.134 176.738 174.600 0.007 0.000 1.032 112 S CA 1.357 59.560 58.200 0.005 0.000 1.005 112 S CB -0.240 62.963 63.200 0.004 0.000 0.867 112 S HN 0.572 nan 8.310 nan 0.000 0.449 113 E N 1.040 121.242 120.200 0.005 0.000 2.085 113 E HA -0.136 4.214 4.350 0.001 0.000 0.194 113 E C 2.355 178.937 176.600 -0.031 0.000 0.994 113 E CA 0.979 57.378 56.400 -0.002 0.000 0.801 113 E CB -0.245 29.459 29.700 0.007 0.000 0.743 113 E HN 0.507 nan 8.360 nan 0.000 0.453 114 A N 0.806 123.591 122.820 -0.058 0.000 1.877 114 A HA -0.163 4.157 4.320 0.001 0.000 0.216 114 A C 2.492 180.037 177.584 -0.065 0.000 1.186 114 A CA 1.344 53.319 52.037 -0.105 0.000 0.620 114 A CB -0.721 18.174 19.000 -0.175 0.000 0.822 114 A HN 0.129 nan 8.150 nan 0.000 0.443 115 V N 0.343 120.239 119.914 -0.029 0.000 2.343 115 V HA -0.228 3.892 4.120 0.001 0.000 0.247 115 V C 2.537 178.627 176.094 -0.005 0.000 1.051 115 V CA 2.073 64.365 62.300 -0.014 0.000 1.036 115 V CB -0.778 31.048 31.823 0.006 0.000 0.654 115 V HN 0.538 nan 8.190 nan 0.000 0.451 116 E N 0.393 120.594 120.200 0.001 0.000 2.058 116 E HA -0.219 4.132 4.350 0.001 0.000 0.194 116 E C 2.104 178.667 176.600 -0.062 0.000 0.997 116 E CA 1.384 57.773 56.400 -0.019 0.000 0.801 116 E CB -0.403 29.291 29.700 -0.010 0.000 0.746 116 E HN 0.617 nan 8.360 nan 0.000 0.450 117 N N 0.545 119.215 118.700 -0.050 0.000 2.270 117 N HA -0.085 4.656 4.740 0.001 0.000 0.181 117 N C 1.821 177.300 175.510 -0.051 0.000 1.016 117 N CA 0.991 54.009 53.050 -0.053 0.000 0.870 117 N CB -0.098 38.361 38.487 -0.045 0.000 0.979 117 N HN 0.090 nan 8.380 nan 0.000 0.431 118 A N 0.977 123.768 122.820 -0.048 0.000 1.908 118 A HA -0.092 4.229 4.320 0.001 0.000 0.218 118 A C 2.517 180.082 177.584 -0.032 0.000 1.181 118 A CA 1.284 53.299 52.037 -0.037 0.000 0.627 118 A CB -0.724 18.257 19.000 -0.032 0.000 0.818 118 A HN 0.100 nan 8.150 nan 0.000 0.445 119 V N 0.097 119.988 119.914 -0.038 0.000 2.358 119 V HA -0.241 3.879 4.120 0.001 0.000 0.246 119 V C 2.422 178.469 176.094 -0.079 0.000 1.047 119 V CA 2.219 64.494 62.300 -0.041 0.000 1.035 119 V CB -0.648 31.154 31.823 -0.034 0.000 0.658 119 V HN 0.532 nan 8.190 nan 0.000 0.452 120 K N -0.100 120.237 120.400 -0.104 0.000 2.057 120 K HA -0.129 4.192 4.320 0.001 0.000 0.207 120 K C 2.064 178.629 176.600 -0.060 0.000 1.049 120 K CA 1.650 57.878 56.287 -0.098 0.000 0.931 120 K CB -0.339 32.106 32.500 -0.091 0.000 0.714 120 K HN 0.384 nan 8.250 nan 0.000 0.440 121 I N 1.065 121.607 120.570 -0.046 0.000 2.226 121 I HA -0.282 3.888 4.170 0.001 0.000 0.245 121 I C 2.517 178.616 176.117 -0.030 0.000 1.100 121 I CA 1.149 62.429 61.300 -0.033 0.000 1.374 121 I CB -0.358 37.626 38.000 -0.027 0.000 1.057 121 I HN 0.149 nan 8.210 nan 0.000 0.413 122 A N 0.732 123.537 122.820 -0.026 0.000 1.933 122 A HA -0.199 4.121 4.320 0.001 0.000 0.218 122 A C 2.379 179.952 177.584 -0.018 0.000 1.175 122 A CA 1.462 53.488 52.037 -0.018 0.000 0.628 122 A CB -0.534 18.465 19.000 -0.003 0.000 0.814 122 A HN 0.321 nan 8.150 nan 0.000 0.444 123 R N -0.578 119.907 120.500 -0.025 0.000 2.075 123 R HA -0.049 4.292 4.340 0.001 0.000 0.232 123 R C 2.464 178.748 176.300 -0.027 0.000 1.126 123 R CA 1.215 57.300 56.100 -0.025 0.000 0.963 123 R CB -0.421 29.855 30.300 -0.039 0.000 0.858 123 R HN 0.506 nan 8.270 nan 0.000 0.435 124 A N 1.068 123.870 122.820 -0.031 0.000 1.930 124 A HA -0.034 4.287 4.320 0.001 0.000 0.217 124 A C 2.324 179.892 177.584 -0.026 0.000 1.175 124 A CA 1.487 53.507 52.037 -0.028 0.000 0.627 124 A CB -0.510 18.474 19.000 -0.027 0.000 0.815 124 A HN 0.382 nan 8.150 nan 0.000 0.443 125 A N -0.376 122.428 122.820 -0.027 0.000 1.898 125 A HA -0.059 4.261 4.320 0.001 0.000 0.216 125 A C 2.362 179.928 177.584 -0.030 0.000 1.181 125 A CA 2.370 54.389 52.037 -0.030 0.000 0.620 125 A CB -1.039 17.940 19.000 -0.035 0.000 0.819 125 A HN 0.752 nan 8.150 nan 0.000 0.442 126 T N -4.610 109.928 114.554 -0.026 0.000 3.044 126 T HA 0.192 4.542 4.350 0.001 0.000 0.250 126 T C 0.644 175.330 174.700 -0.024 0.000 1.081 126 T CA 0.665 62.750 62.100 -0.024 0.000 1.040 126 T CB -0.234 68.623 68.868 -0.018 0.000 0.962 126 T HN 0.445 nan 8.240 nan 0.000 0.506 127 K N 0.850 121.236 120.400 -0.023 0.000 3.125 127 K HA -0.145 4.175 4.320 0.001 0.000 0.268 127 K C -0.426 176.160 176.600 -0.023 0.000 1.078 127 K CA 0.321 56.594 56.287 -0.023 0.000 0.775 127 K CB -1.048 31.437 32.500 -0.024 0.000 1.253 127 K HN 0.567 nan 8.250 nan 0.000 0.486 128 R N -1.329 119.160 120.500 -0.019 0.000 2.867 128 R HA 0.414 4.755 4.340 0.001 0.000 0.268 128 R C 0.424 176.722 176.300 -0.004 0.000 1.014 128 R CA -0.791 55.299 56.100 -0.016 0.000 0.946 128 R CB 1.596 31.887 30.300 -0.014 0.000 1.208 128 R HN -0.047 nan 8.270 nan 0.000 0.477 129 S N -0.555 115.146 115.700 0.001 0.000 2.524 129 S HA 0.150 4.620 4.470 0.001 0.000 0.222 129 S C 0.677 175.334 174.600 0.095 0.000 1.040 129 S CA -0.038 58.177 58.200 0.025 0.000 0.915 129 S CB 0.952 64.151 63.200 -0.002 0.000 0.831 129 S HN 0.731 nan 8.310 nan 0.000 0.492 130 G N 1.842 110.708 108.800 0.111 0.000 2.537 130 G HA2 0.518 4.479 3.960 0.001 0.000 0.273 130 G HA3 0.518 4.479 3.960 0.001 0.000 0.273 130 G C -0.316 174.717 174.900 0.221 0.000 1.189 130 G CA -0.138 45.104 45.100 0.236 0.000 0.881 130 G HN 0.316 nan 8.290 nan 0.000 0.535 131 T N -2.299 112.415 114.554 0.267 0.000 2.883 131 T HA 0.683 5.033 4.350 0.001 0.000 0.301 131 T C -0.682 174.121 174.700 0.173 0.000 1.158 131 T CA -0.745 61.469 62.100 0.190 0.000 1.007 131 T CB 1.669 70.648 68.868 0.185 0.000 1.186 131 T HN 0.393 nan 8.240 nan 0.000 0.499 132 I N 1.125 121.749 120.570 0.090 0.000 2.509 132 I HA 0.751 4.921 4.170 0.001 0.000 0.293 132 I C 0.046 176.126 176.117 -0.062 0.000 1.020 132 I CA -1.065 60.233 61.300 -0.004 0.000 1.088 132 I CB 1.921 39.869 38.000 -0.086 0.000 1.267 132 I HN 1.089 nan 8.210 nan 0.000 0.430 133 A N 4.943 127.688 122.820 -0.125 0.000 2.530 133 A HA 0.890 5.211 4.320 0.001 0.000 0.288 133 A C -1.499 175.993 177.584 -0.154 0.000 1.172 133 A CA -0.420 51.620 52.037 0.006 0.000 0.733 133 A CB 1.208 20.270 19.000 0.104 0.000 1.320 133 A HN 0.463 nan 8.150 nan 0.000 0.419 134 F N 0.512 120.580 119.950 0.196 0.000 2.483 134 F HA 0.519 5.047 4.527 0.001 0.000 0.329 134 F C 1.294 177.164 175.800 0.117 0.000 1.064 134 F CA -0.169 57.944 58.000 0.187 0.000 0.986 134 F CB 1.720 40.928 39.000 0.347 0.000 1.218 134 F HN 0.580 nan 8.300 nan 0.000 0.484 135 S N 0.059 115.922 115.700 0.272 0.000 2.560 135 S HA 0.393 4.863 4.470 0.001 0.000 0.284 135 S C 1.024 175.677 174.600 0.089 0.000 1.327 135 S CA -0.095 58.183 58.200 0.129 0.000 1.055 135 S CB 0.560 63.817 63.200 0.095 0.000 0.868 135 S HN 1.549 nan 8.310 nan 0.000 0.506 136 G N 0.949 109.755 108.800 0.010 0.000 2.168 136 G HA2 -0.084 3.876 3.960 0.001 0.000 0.263 136 G HA3 -0.084 3.876 3.960 0.001 0.000 0.263 136 G C 0.345 175.226 174.900 -0.032 0.000 0.977 136 G CA 0.159 45.233 45.100 -0.044 0.000 0.659 136 G HN 1.595 nan 8.290 nan 0.000 0.533 137 A N -0.696 122.128 122.820 0.007 0.000 2.332 137 A HA 0.692 5.012 4.320 0.001 0.000 0.258 137 A C -0.411 177.108 177.584 -0.108 0.000 1.087 137 A CA 0.136 52.128 52.037 -0.074 0.000 0.802 137 A CB 0.752 19.775 19.000 0.039 0.000 1.042 137 A HN 1.464 nan 8.150 nan 0.000 0.489 138 Y N 0.528 120.564 120.300 -0.439 0.000 2.354 138 Y HA 0.500 5.050 4.550 0.001 0.000 0.330 138 Y C 0.054 175.620 175.900 -0.556 0.000 1.011 138 Y CA -0.519 57.373 58.100 -0.348 0.000 1.099 138 Y CB 1.453 39.798 38.460 -0.190 0.000 1.179 138 Y HN 0.778 nan 8.280 nan 0.000 0.442 139 H N 3.566 122.259 119.070 -0.628 0.000 3.398 139 H HA 0.479 5.035 4.556 0.001 0.000 0.260 139 H C 0.494 175.542 175.328 -0.466 0.000 1.189 139 H CA 0.390 56.218 56.048 -0.367 0.000 1.145 139 H CB 1.255 30.917 29.762 -0.167 0.000 1.599 139 H HN 0.856 nan 8.280 nan 0.000 0.615 140 G N 0.862 109.140 108.800 -0.870 0.000 2.353 140 G HA2 -0.048 3.912 3.960 0.001 0.000 0.424 140 G HA3 -0.048 3.912 3.960 0.001 0.000 0.424 140 G C -0.533 174.115 174.900 -0.421 0.000 1.320 140 G CA -1.016 43.799 45.100 -0.474 0.000 0.995 140 G HN 0.126 nan 8.290 nan 0.000 0.580 141 R N 0.154 120.541 120.500 -0.188 0.000 2.652 141 R HA 0.249 4.590 4.340 0.001 0.000 0.372 141 R C 0.760 177.019 176.300 -0.067 0.000 1.104 141 R CA 0.369 56.388 56.100 -0.135 0.000 1.072 141 R CB 0.690 30.943 30.300 -0.078 0.000 1.367 141 R HN 0.769 nan 8.270 nan 0.000 0.577 142 T N -3.258 111.277 114.554 -0.032 0.000 2.902 142 T HA 0.181 4.531 4.350 0.001 0.000 0.280 142 T C 1.098 175.828 174.700 0.051 0.000 0.992 142 T CA -0.529 61.597 62.100 0.043 0.000 1.015 142 T CB 1.399 70.317 68.868 0.084 0.000 1.044 142 T HN 0.106 nan 8.240 nan 0.000 0.520 143 H N -0.489 118.604 119.070 0.038 0.000 2.265 143 H HA -0.097 4.460 4.556 0.001 0.000 0.293 143 H C 1.685 177.035 175.328 0.038 0.000 1.089 143 H CA 2.842 58.912 56.048 0.036 0.000 1.244 143 H CB -0.533 29.259 29.762 0.049 0.000 1.355 143 H HN 0.756 nan 8.280 nan 0.000 0.485 144 Y N 1.074 121.435 120.300 0.103 0.000 2.181 144 Y HA -0.247 4.304 4.550 0.001 0.000 0.288 144 Y C 2.720 178.614 175.900 -0.009 0.000 1.146 144 Y CA 1.883 60.002 58.100 0.031 0.000 1.164 144 Y CB -0.408 38.062 38.460 0.016 0.000 0.982 144 Y HN 0.376 nan 8.280 nan 0.000 0.515 145 T N -1.859 112.745 114.554 0.082 0.000 2.995 145 T HA -0.137 4.214 4.350 0.001 0.000 0.269 145 T C 1.935 176.556 174.700 -0.132 0.000 1.091 145 T CA 1.242 63.326 62.100 -0.028 0.000 1.128 145 T CB -0.673 68.181 68.868 -0.023 0.000 0.891 145 T HN 0.374 nan 8.240 nan 0.000 0.492 146 L N 0.548 121.698 121.223 -0.122 0.000 2.141 146 L HA 0.091 4.431 4.340 0.001 0.000 0.209 146 L C 3.214 180.016 176.870 -0.114 0.000 1.094 146 L CA 1.049 55.815 54.840 -0.123 0.000 0.763 146 L CB -0.625 41.378 42.059 -0.094 0.000 0.908 146 L HN 0.386 nan 8.230 nan 0.000 0.437 147 A N 0.096 122.811 122.820 -0.175 0.000 1.898 147 A HA -0.129 4.192 4.320 0.001 0.000 0.216 147 A C 2.189 179.639 177.584 -0.223 0.000 1.181 147 A CA 1.161 53.062 52.037 -0.227 0.000 0.620 147 A CB -0.541 18.244 19.000 -0.358 0.000 0.819 147 A HN 0.345 nan 8.150 nan 0.000 0.442 148 L N -0.189 120.887 121.223 -0.247 0.000 2.093 148 L HA -0.071 4.270 4.340 0.001 0.000 0.208 148 L C 0.889 177.809 176.870 0.084 0.000 1.085 148 L CA 0.615 55.397 54.840 -0.097 0.000 0.755 148 L CB -0.949 41.057 42.059 -0.088 0.000 0.904 148 L HN 0.163 nan 8.230 nan 0.000 0.435 149 T N 0.773 115.333 114.554 0.010 0.000 2.871 149 T HA 0.128 4.479 4.350 0.001 0.000 0.296 149 T C 0.816 175.535 174.700 0.032 0.000 0.998 149 T CA 0.189 62.272 62.100 -0.028 0.000 1.162 149 T CB 0.826 69.599 68.868 -0.158 0.000 0.947 149 T HN 0.378 nan 8.240 nan 0.000 0.536 150 G N 3.235 112.066 108.800 0.052 0.000 3.636 150 G HA2 0.435 4.395 3.960 0.001 0.000 0.260 150 G HA3 0.435 4.395 3.960 0.001 0.000 0.260 150 G C -0.081 174.846 174.900 0.044 0.000 1.014 150 G CA -0.343 44.784 45.100 0.044 0.000 1.797 150 G HN 0.647 nan 8.290 nan 0.000 0.637 151 K N 1.181 121.626 120.400 0.075 0.000 2.575 151 K HA 0.183 4.504 4.320 0.001 0.000 0.271 151 K C 0.058 176.700 176.600 0.070 0.000 1.013 151 K CA -0.661 55.659 56.287 0.055 0.000 0.939 151 K CB 1.031 33.591 32.500 0.100 0.000 1.328 151 K HN -0.063 nan 8.250 nan 0.000 0.450 152 V N 2.125 122.040 119.914 0.000 0.000 2.331 152 V HA -0.028 4.093 4.120 0.001 0.000 0.242 152 V C 0.987 177.047 176.094 -0.056 0.000 1.034 152 V CA 0.901 63.200 62.300 -0.000 0.000 1.027 152 V CB -0.242 31.575 31.823 -0.011 0.000 0.667 152 V HN 0.786 nan 8.190 nan 0.000 0.457 153 N N 1.612 120.250 118.700 -0.102 0.000 2.472 153 N HA 0.113 4.854 4.740 0.001 0.000 0.277 153 N C -1.843 173.475 175.510 -0.319 0.000 1.081 153 N CA -1.268 51.696 53.050 -0.143 0.000 0.973 153 N CB 2.345 40.791 38.487 -0.068 0.000 1.105 153 N HN 0.111 nan 8.380 nan 0.000 0.470 154 P HA 0.007 nan 4.420 nan 0.000 0.245 154 P C 0.773 178.028 177.300 -0.075 0.000 1.199 154 P CA 0.571 63.554 63.100 -0.194 0.000 0.807 154 P CB 0.032 31.648 31.700 -0.139 0.000 1.002 155 Y N 1.348 121.666 120.300 0.030 0.000 2.264 155 Y HA -0.207 4.343 4.550 0.001 0.000 0.282 155 Y C 1.767 177.656 175.900 -0.018 0.000 1.204 155 Y CA 1.030 59.143 58.100 0.022 0.000 1.228 155 Y CB -0.967 37.523 38.460 0.049 0.000 0.971 155 Y HN 0.064 nan 8.280 nan 0.000 0.538 156 S N -1.596 114.161 115.700 0.095 0.000 2.733 156 S HA 0.407 4.877 4.470 0.001 0.000 0.247 156 S C 0.721 175.323 174.600 0.004 0.000 1.043 156 S CA -0.152 58.065 58.200 0.028 0.000 1.066 156 S CB 0.361 63.570 63.200 0.015 0.000 1.045 156 S HN 0.337 nan 8.310 nan 0.000 0.586 157 A N 1.358 124.177 122.820 -0.001 0.000 2.587 157 A HA 0.454 4.774 4.320 0.001 0.000 0.235 157 A C 1.661 179.244 177.584 -0.003 0.000 1.044 157 A CA 0.877 52.909 52.037 -0.008 0.000 0.754 157 A CB -0.838 18.152 19.000 -0.016 0.000 0.968 157 A HN 1.244 nan 8.150 nan 0.000 0.509 158 G N 1.534 110.332 108.800 -0.002 0.000 2.328 158 G HA2 -0.383 3.578 3.960 0.001 0.000 0.256 158 G HA3 -0.383 3.578 3.960 0.001 0.000 0.256 158 G C 1.038 175.942 174.900 0.006 0.000 1.014 158 G CA 1.081 46.182 45.100 0.002 0.000 0.620 158 G HN 0.713 nan 8.290 nan 0.000 0.530 159 M N 0.512 120.114 119.600 0.004 0.000 2.319 159 M HA 0.342 4.822 4.480 0.001 0.000 0.265 159 M C 1.654 177.965 176.300 0.018 0.000 1.068 159 M CA 1.620 56.925 55.300 0.008 0.000 1.118 159 M CB -0.179 32.413 32.600 -0.015 0.000 1.395 159 M HN 1.537 nan 8.290 nan 0.000 0.435 160 G N 0.582 109.388 108.800 0.010 0.000 2.610 160 G HA2 -0.161 3.800 3.960 0.001 0.000 0.304 160 G HA3 -0.161 3.800 3.960 0.001 0.000 0.304 160 G C -0.881 174.024 174.900 0.008 0.000 1.309 160 G CA -1.106 44.001 45.100 0.012 0.000 0.906 160 G HN 0.202 nan 8.290 nan 0.000 0.521 161 L N 0.881 122.107 121.223 0.004 0.000 2.380 161 L HA 0.377 4.717 4.340 0.001 0.000 0.273 161 L C 1.374 178.248 176.870 0.006 0.000 1.138 161 L CA -0.745 54.090 54.840 -0.008 0.000 0.832 161 L CB 0.750 42.796 42.059 -0.023 0.000 1.124 161 L HN 0.518 nan 8.230 nan 0.000 0.454 162 M N 2.853 122.447 119.600 -0.010 0.000 2.163 162 M HA 0.298 4.778 4.480 0.001 0.000 0.305 162 M C -1.877 174.410 176.300 -0.021 0.000 1.166 162 M CA -2.008 53.298 55.300 0.011 0.000 1.132 162 M CB -0.741 31.837 32.600 -0.035 0.000 1.413 162 M HN 0.246 nan 8.290 nan 0.000 0.478 163 P HA 0.029 nan 4.420 nan 0.000 0.263 163 P C 0.077 177.298 177.300 -0.132 0.000 1.175 163 P CA 0.337 63.423 63.100 -0.023 0.000 0.761 163 P CB 0.177 31.935 31.700 0.096 0.000 0.794 164 G N 1.608 110.288 108.800 -0.199 0.000 2.508 164 G HA2 0.173 4.134 3.960 0.001 0.000 0.278 164 G HA3 0.173 4.134 3.960 0.001 0.000 0.278 164 G C -0.336 174.387 174.900 -0.296 0.000 1.389 164 G CA -0.297 44.597 45.100 -0.343 0.000 1.050 164 G HN 0.705 nan 8.290 nan 0.000 0.522 165 H N -3.054 115.875 119.070 -0.236 0.000 2.839 165 H HA -0.141 4.415 4.556 0.001 0.000 0.298 165 H C -0.483 174.651 175.328 -0.324 0.000 1.224 165 H CA 0.564 56.482 56.048 -0.216 0.000 1.144 165 H CB -2.259 27.550 29.762 0.077 0.000 1.372 165 H HN 0.282 nan 8.280 nan 0.000 0.408 166 V N 1.373 120.947 119.914 -0.567 0.000 2.482 166 V HA 0.361 4.482 4.120 0.001 0.000 0.295 166 V C -0.172 175.526 176.094 -0.660 0.000 1.026 166 V CA -0.798 61.253 62.300 -0.415 0.000 0.856 166 V CB 1.439 33.047 31.823 -0.359 0.000 1.001 166 V HN 0.175 nan 8.190 nan 0.000 0.424 167 Y N 2.984 123.259 120.300 -0.041 0.000 2.387 167 Y HA 0.751 5.302 4.550 0.001 0.000 0.336 167 Y C 0.317 176.144 175.900 -0.122 0.000 1.067 167 Y CA -0.937 57.123 58.100 -0.066 0.000 1.114 167 Y CB 1.382 39.808 38.460 -0.057 0.000 1.208 167 Y HN 0.520 nan 8.280 nan 0.000 0.458 168 R N 1.848 122.343 120.500 -0.009 0.000 2.265 168 R HA 0.782 5.122 4.340 0.001 0.000 0.319 168 R C -1.134 175.087 176.300 -0.132 0.000 1.006 168 R CA -0.308 55.745 56.100 -0.079 0.000 0.880 168 R CB 0.471 30.745 30.300 -0.043 0.000 1.077 168 R HN 0.823 nan 8.270 nan 0.000 0.454 169 A N 4.540 127.194 122.820 -0.277 0.000 2.354 169 A HA 0.606 4.926 4.320 0.001 0.000 0.321 169 A C -1.031 176.495 177.584 -0.097 0.000 1.125 169 A CA -0.872 50.972 52.037 -0.322 0.000 0.799 169 A CB 1.012 19.568 19.000 -0.741 0.000 1.293 169 A HN 0.663 nan 8.150 nan 0.000 0.452 170 L N 1.331 122.596 121.223 0.071 0.000 2.290 170 L HA 0.256 4.597 4.340 0.001 0.000 0.284 170 L C -0.522 176.585 176.870 0.396 0.000 1.078 170 L CA -0.357 54.600 54.840 0.196 0.000 0.815 170 L CB 0.546 42.660 42.059 0.092 0.000 1.162 170 L HN 0.754 nan 8.230 nan 0.000 0.435 171 Y N 5.961 126.410 120.300 0.249 0.000 2.377 171 Y HA 0.192 4.742 4.550 0.001 0.000 0.330 171 Y C -1.783 174.006 175.900 -0.185 0.000 1.108 171 Y CA -1.797 56.316 58.100 0.021 0.000 1.308 171 Y CB 0.798 39.237 38.460 -0.035 0.000 1.216 171 Y HN 0.359 nan 8.280 nan 0.000 0.518 172 P HA 0.029 nan 4.420 nan 0.000 0.267 172 P C -0.889 176.260 177.300 -0.253 0.000 1.209 172 P CA 0.095 62.869 63.100 -0.542 0.000 0.763 172 P CB 0.694 31.795 31.700 -0.997 0.000 0.816 173 C N 6.349 125.559 119.300 -0.150 0.000 3.280 173 C HA 0.268 4.729 4.460 0.001 0.000 0.334 173 C C -1.690 173.269 174.990 -0.053 0.000 0.977 173 C CA -1.332 57.618 59.018 -0.113 0.000 1.264 173 C CB -0.047 27.542 27.740 -0.252 0.000 1.688 173 C HN 0.366 nan 8.230 nan 0.000 0.592 174 P HA -0.161 nan 4.420 nan 0.000 0.216 174 P C 1.705 178.976 177.300 -0.048 0.000 1.153 174 P CA 1.116 64.196 63.100 -0.034 0.000 0.858 174 P CB 0.107 31.791 31.700 -0.027 0.000 0.789 175 L N -1.193 120.012 121.223 -0.030 0.000 2.137 175 L HA -0.194 4.146 4.340 0.001 0.000 0.213 175 L C 0.914 177.618 176.870 -0.276 0.000 1.085 175 L CA 2.104 56.872 54.840 -0.120 0.000 0.760 175 L CB -1.139 40.953 42.059 0.054 0.000 0.893 175 L HN 0.120 nan 8.230 nan 0.000 0.434 176 H N -1.293 117.744 119.070 -0.055 0.000 2.481 176 H HA 0.475 5.032 4.556 0.001 0.000 0.273 176 H C 1.284 176.592 175.328 -0.035 0.000 1.145 176 H CA 0.217 56.248 56.048 -0.027 0.000 0.964 176 H CB 0.115 29.881 29.762 0.008 0.000 1.722 176 H HN 0.278 nan 8.280 nan 0.000 0.573 177 G N 0.542 109.349 108.800 0.012 0.000 2.212 177 G HA2 -0.279 3.682 3.960 0.001 0.000 0.266 177 G HA3 -0.279 3.682 3.960 0.001 0.000 0.266 177 G C 0.152 175.055 174.900 0.005 0.000 0.978 177 G CA 0.120 45.224 45.100 0.005 0.000 0.632 177 G HN 0.298 nan 8.290 nan 0.000 0.537 178 I N 2.765 123.336 120.570 0.001 0.000 2.301 178 I HA 0.391 4.562 4.170 0.001 0.000 0.292 178 I C 1.187 177.276 176.117 -0.047 0.000 1.046 178 I CA -0.234 61.056 61.300 -0.017 0.000 1.282 178 I CB 0.539 38.526 38.000 -0.023 0.000 1.409 178 I HN 0.382 nan 8.210 nan 0.000 0.484 179 S N 4.527 120.208 115.700 -0.032 0.000 2.669 179 S HA 0.305 4.775 4.470 0.001 0.000 0.270 179 S C 0.930 175.498 174.600 -0.052 0.000 1.225 179 S CA -0.561 57.618 58.200 -0.034 0.000 0.991 179 S CB 1.790 64.987 63.200 -0.004 0.000 0.987 179 S HN 0.593 nan 8.310 nan 0.000 0.552 180 E N 0.318 120.496 120.200 -0.036 0.000 2.110 180 E HA -0.154 4.196 4.350 0.001 0.000 0.193 180 E C 1.038 177.705 176.600 0.112 0.000 0.988 180 E CA 1.333 57.739 56.400 0.010 0.000 0.804 180 E CB -0.125 29.635 29.700 0.099 0.000 0.745 180 E HN 0.635 nan 8.360 nan 0.000 0.458 181 D N 0.689 121.139 120.400 0.083 0.000 2.144 181 D HA -0.140 4.501 4.640 0.001 0.000 0.199 181 D C 1.428 177.783 176.300 0.092 0.000 0.984 181 D CA 0.894 54.951 54.000 0.095 0.000 0.834 181 D CB -0.195 40.643 40.800 0.065 0.000 0.955 181 D HN 0.149 nan 8.370 nan 0.000 0.465 182 D N 0.454 120.889 120.400 0.057 0.000 2.117 182 D HA -0.093 4.548 4.640 0.001 0.000 0.198 182 D C 2.011 178.353 176.300 0.070 0.000 0.982 182 D CA 1.082 55.113 54.000 0.051 0.000 0.828 182 D CB -0.222 40.593 40.800 0.025 0.000 0.967 182 D HN 0.133 nan 8.370 nan 0.000 0.464 183 A N 1.693 124.556 122.820 0.071 0.000 1.851 183 A HA -0.177 4.144 4.320 0.001 0.000 0.216 183 A C 2.235 179.961 177.584 0.236 0.000 1.195 183 A CA 1.096 53.213 52.037 0.134 0.000 0.622 183 A CB -0.636 18.353 19.000 -0.019 0.000 0.831 183 A HN 0.102 nan 8.150 nan 0.000 0.444 184 I N -0.004 120.739 120.570 0.288 0.000 2.226 184 I HA -0.241 3.930 4.170 0.001 0.000 0.245 184 I C 2.948 179.156 176.117 0.151 0.000 1.100 184 I CA 1.477 62.905 61.300 0.213 0.000 1.374 184 I CB -1.662 36.476 38.000 0.229 0.000 1.057 184 I HN 0.380 nan 8.210 nan 0.000 0.413 185 A N 1.095 124.018 122.820 0.171 0.000 1.940 185 A HA -0.220 4.101 4.320 0.001 0.000 0.219 185 A C 2.531 180.158 177.584 0.073 0.000 1.176 185 A CA 2.275 54.413 52.037 0.169 0.000 0.631 185 A CB -0.824 18.240 19.000 0.106 0.000 0.814 185 A HN 0.571 nan 8.150 nan 0.000 0.446 186 S N -0.108 115.607 115.700 0.024 0.000 2.419 186 S HA -0.100 4.371 4.470 0.001 0.000 0.233 186 S C 1.798 176.296 174.600 -0.170 0.000 1.016 186 S CA 1.378 59.553 58.200 -0.042 0.000 0.974 186 S CB -0.697 62.491 63.200 -0.019 0.000 0.786 186 S HN 0.500 nan 8.310 nan 0.000 0.492 187 I N 1.094 121.505 120.570 -0.266 0.000 2.286 187 I HA -0.092 4.078 4.170 0.001 0.000 0.245 187 I C 2.540 178.135 176.117 -0.870 0.000 1.104 187 I CA 1.426 62.372 61.300 -0.590 0.000 1.397 187 I CB -0.493 37.146 38.000 -0.602 0.000 1.072 187 I HN 0.324 nan 8.210 nan 0.000 0.417 188 H N -0.005 118.846 119.070 -0.366 0.000 2.421 188 H HA -0.128 4.428 4.556 0.001 0.000 0.298 188 H C 2.339 177.594 175.328 -0.122 0.000 1.087 188 H CA 1.219 57.158 56.048 -0.181 0.000 1.330 188 H CB -0.043 29.725 29.762 0.011 0.000 1.388 188 H HN 0.156 nan 8.280 nan 0.000 0.526 189 R N 0.744 121.228 120.500 -0.028 0.000 2.096 189 R HA -0.113 4.227 4.340 0.001 0.000 0.235 189 R C 1.854 178.115 176.300 -0.065 0.000 1.127 189 R CA 1.347 57.436 56.100 -0.018 0.000 0.968 189 R CB -0.185 30.103 30.300 -0.019 0.000 0.861 189 R HN 0.322 nan 8.270 nan 0.000 0.440 190 I N -0.128 120.332 120.570 -0.183 0.000 2.202 190 I HA -0.268 3.902 4.170 0.001 0.000 0.242 190 I C 1.865 177.915 176.117 -0.112 0.000 1.091 190 I CA 1.369 62.551 61.300 -0.197 0.000 1.368 190 I CB -0.314 37.506 38.000 -0.301 0.000 1.058 190 I HN 0.190 nan 8.210 nan 0.000 0.410 191 F N 0.916 120.778 119.950 -0.147 0.000 2.161 191 F HA -0.295 4.232 4.527 0.001 0.000 0.300 191 F C 2.602 178.338 175.800 -0.106 0.000 1.089 191 F CA 0.999 58.906 58.000 -0.156 0.000 1.282 191 F CB -0.221 38.694 39.000 -0.141 0.000 1.010 191 F HN 0.007 nan 8.300 nan 0.000 0.485 192 K N 0.426 120.907 120.400 0.134 0.000 2.137 192 K HA -0.035 4.285 4.320 0.001 0.000 0.202 192 K C 1.470 178.085 176.600 0.025 0.000 1.052 192 K CA 1.121 57.450 56.287 0.071 0.000 0.961 192 K CB -0.058 32.485 32.500 0.072 0.000 0.741 192 K HN 0.095 nan 8.250 nan 0.000 0.452 193 N N -0.311 118.393 118.700 0.006 0.000 2.439 193 N HA -0.003 4.737 4.740 0.001 0.000 0.176 193 N C 0.370 175.870 175.510 -0.016 0.000 1.029 193 N CA 0.996 54.045 53.050 -0.001 0.000 0.886 193 N CB 0.507 38.998 38.487 0.007 0.000 1.057 193 N HN 0.228 nan 8.380 nan 0.000 0.437 194 D N -0.325 120.033 120.400 -0.071 0.000 2.403 194 D HA 0.210 4.850 4.640 0.001 0.000 0.280 194 D C -0.160 175.975 176.300 -0.274 0.000 1.091 194 D CA 0.248 54.181 54.000 -0.111 0.000 0.884 194 D CB 1.551 42.329 40.800 -0.037 0.000 1.427 194 D HN 0.031 nan 8.370 nan 0.000 0.504 195 A N 1.196 123.796 122.820 -0.367 0.000 2.497 195 A HA 0.625 4.946 4.320 0.001 0.000 0.280 195 A C -0.394 177.100 177.584 -0.150 0.000 1.065 195 A CA -0.470 51.343 52.037 -0.374 0.000 0.781 195 A CB 1.206 19.695 19.000 -0.852 0.000 1.289 195 A HN 0.076 nan 8.150 nan 0.000 0.415 196 A N 3.827 126.572 122.820 -0.126 0.000 2.448 196 A HA 0.557 4.878 4.320 0.001 0.000 0.239 196 A C -1.267 176.158 177.584 -0.266 0.000 1.080 196 A CA -0.690 51.254 52.037 -0.154 0.000 0.779 196 A CB -0.246 18.671 19.000 -0.138 0.000 1.026 196 A HN 0.534 nan 8.150 nan 0.000 0.499 197 P HA -0.217 nan 4.420 nan 0.000 0.216 197 P C 1.131 178.232 177.300 -0.331 0.000 1.153 197 P CA 1.720 64.333 63.100 -0.811 0.000 0.858 197 P CB 0.048 31.032 31.700 -1.194 0.000 0.789 198 E N -0.988 119.078 120.200 -0.222 0.000 2.515 198 E HA -0.149 4.201 4.350 0.001 0.000 0.201 198 E C 0.406 176.951 176.600 -0.092 0.000 1.071 198 E CA 1.009 57.336 56.400 -0.121 0.000 0.880 198 E CB -0.717 28.927 29.700 -0.092 0.000 0.828 198 E HN 0.314 nan 8.360 nan 0.000 0.540 199 D N 0.382 120.722 120.400 -0.101 0.000 2.469 199 D HA 0.172 4.812 4.640 0.001 0.000 0.213 199 D C -0.059 176.226 176.300 -0.025 0.000 1.135 199 D CA -0.218 53.742 54.000 -0.066 0.000 0.834 199 D CB 0.745 41.495 40.800 -0.084 0.000 1.009 199 D HN 0.118 nan 8.370 nan 0.000 0.507 200 I N 1.710 122.268 120.570 -0.021 0.000 2.307 200 I HA 0.228 4.398 4.170 0.001 0.000 0.289 200 I C 1.360 177.502 176.117 0.042 0.000 1.021 200 I CA -0.355 60.973 61.300 0.048 0.000 1.224 200 I CB 1.148 39.214 38.000 0.110 0.000 1.376 200 I HN -0.196 nan 8.210 nan 0.000 0.470 201 A N 5.543 128.396 122.820 0.054 0.000 1.929 201 A HA 0.470 4.791 4.320 0.001 0.000 0.216 201 A C 1.042 178.655 177.584 0.048 0.000 1.176 201 A CA 1.209 53.268 52.037 0.037 0.000 0.628 201 A CB 0.176 19.195 19.000 0.032 0.000 0.816 201 A HN 0.773 nan 8.150 nan 0.000 0.444 202 A N -1.640 121.225 122.820 0.075 0.000 2.610 202 A HA 0.660 4.981 4.320 0.001 0.000 0.291 202 A C -1.328 176.314 177.584 0.097 0.000 1.086 202 A CA -0.468 51.615 52.037 0.077 0.000 0.677 202 A CB 0.587 19.622 19.000 0.058 0.000 1.278 202 A HN 0.223 nan 8.150 nan 0.000 0.414 203 I N 1.597 122.231 120.570 0.107 0.000 2.382 203 I HA 0.395 4.565 4.170 0.001 0.000 0.285 203 I C -0.807 175.412 176.117 0.169 0.000 1.007 203 I CA -0.833 60.549 61.300 0.136 0.000 1.142 203 I CB 1.802 39.902 38.000 0.168 0.000 1.289 203 I HN 0.370 nan 8.210 nan 0.000 0.453 204 V N 7.594 127.603 119.914 0.158 0.000 2.439 204 V HA 0.528 4.648 4.120 0.001 0.000 0.282 204 V C -0.081 176.213 176.094 0.334 0.000 1.039 204 V CA -0.531 61.837 62.300 0.113 0.000 0.913 204 V CB 1.870 33.608 31.823 -0.142 0.000 0.983 204 V HN 0.574 nan 8.190 nan 0.000 0.460 205 I N 2.678 123.438 120.570 0.317 0.000 2.827 205 I HA 0.501 4.671 4.170 0.001 0.000 0.298 205 I C -0.811 175.486 176.117 0.300 0.000 1.235 205 I CA -0.543 60.979 61.300 0.369 0.000 1.021 205 I CB 2.898 41.012 38.000 0.190 0.000 1.259 205 I HN 0.654 nan 8.210 nan 0.000 0.427 206 E N 7.307 127.681 120.200 0.289 0.000 2.146 206 E HA 0.275 4.625 4.350 0.001 0.000 0.282 206 E C -1.988 174.728 176.600 0.193 0.000 0.989 206 E CA -1.582 54.934 56.400 0.192 0.000 0.799 206 E CB 1.497 31.241 29.700 0.073 0.000 1.088 206 E HN 0.381 nan 8.360 nan 0.000 0.397 207 P HA -0.146 nan 4.420 nan 0.000 0.216 207 P C -0.244 177.146 177.300 0.151 0.000 1.150 207 P CA 0.955 64.143 63.100 0.146 0.000 0.843 207 P CB 0.339 32.105 31.700 0.109 0.000 0.787 208 V N 0.008 119.961 119.914 0.065 0.000 2.482 208 V HA 0.171 4.291 4.120 0.001 0.000 0.295 208 V C -0.104 175.933 176.094 -0.094 0.000 1.026 208 V CA -0.816 61.476 62.300 -0.013 0.000 0.856 208 V CB 1.565 33.304 31.823 -0.141 0.000 1.001 208 V HN -0.088 nan 8.190 nan 0.000 0.424 209 Q N 2.096 121.803 119.800 -0.155 0.000 2.311 209 Q HA 0.265 4.605 4.340 0.001 0.000 0.272 209 Q C 1.093 177.041 176.000 -0.087 0.000 1.012 209 Q CA 0.655 56.338 55.803 -0.199 0.000 0.891 209 Q CB 1.668 30.179 28.738 -0.377 0.000 1.201 209 Q HN 0.948 nan 8.270 nan 0.000 0.391 210 G N 2.170 110.948 108.800 -0.036 0.000 2.695 210 G HA2 -0.142 3.818 3.960 0.001 0.000 0.219 210 G HA3 -0.142 3.818 3.960 0.001 0.000 0.219 210 G C 0.818 175.797 174.900 0.133 0.000 1.295 210 G CA -0.031 45.122 45.100 0.088 0.000 0.882 210 G HN 0.532 nan 8.290 nan 0.000 0.570 211 E N 1.169 121.371 120.200 0.003 0.000 2.209 211 E HA -0.076 4.274 4.350 0.001 0.000 0.196 211 E C 2.517 179.092 176.600 -0.043 0.000 0.993 211 E CA 0.910 57.267 56.400 -0.072 0.000 0.819 211 E CB -0.747 28.818 29.700 -0.225 0.000 0.745 211 E HN 0.368 nan 8.360 nan 0.000 0.477 212 G N 0.049 108.837 108.800 -0.021 0.000 2.625 212 G HA2 0.039 4.000 3.960 0.001 0.000 0.214 212 G HA3 0.039 4.000 3.960 0.001 0.000 0.214 212 G C 1.039 175.937 174.900 -0.003 0.000 1.132 212 G CA 0.682 45.762 45.100 -0.033 0.000 0.782 212 G HN 0.436 nan 8.290 nan 0.000 0.538 213 G N -1.413 107.345 108.800 -0.071 0.000 2.151 213 G HA2 -0.087 3.873 3.960 0.001 0.000 0.140 213 G HA3 -0.087 3.873 3.960 0.001 0.000 0.140 213 G C 0.367 175.016 174.900 -0.418 0.000 1.020 213 G CA -0.202 44.717 45.100 -0.302 0.000 0.688 213 G HN 0.655 nan 8.290 nan 0.000 0.500 214 F N -1.135 118.582 119.950 -0.387 0.000 2.983 214 F HA -0.174 4.353 4.527 0.001 0.000 0.288 214 F C 0.342 175.945 175.800 -0.329 0.000 0.980 214 F CA 0.118 57.943 58.000 -0.291 0.000 0.965 214 F CB -2.350 36.512 39.000 -0.229 0.000 0.967 214 F HN 0.479 nan 8.300 nan 0.000 0.800 215 Y N -0.305 120.037 120.300 0.070 0.000 2.335 215 Y HA 0.638 5.189 4.550 0.001 0.000 0.339 215 Y C 0.568 176.529 175.900 0.101 0.000 0.987 215 Y CA -0.569 57.578 58.100 0.078 0.000 1.140 215 Y CB 1.213 39.703 38.460 0.048 0.000 1.173 215 Y HN 0.317 nan 8.280 nan 0.000 0.486 216 A N 2.415 125.396 122.820 0.269 0.000 2.303 216 A HA 0.543 4.864 4.320 0.001 0.000 0.317 216 A C -0.013 177.697 177.584 0.210 0.000 1.149 216 A CA -0.633 51.526 52.037 0.203 0.000 0.822 216 A CB 0.906 19.969 19.000 0.105 0.000 1.131 216 A HN 0.635 nan 8.150 nan 0.000 0.493 217 S N 1.217 117.023 115.700 0.175 0.000 2.584 217 S HA 0.494 4.965 4.470 0.001 0.000 0.273 217 S C 0.517 175.167 174.600 0.083 0.000 1.311 217 S CA 0.090 58.315 58.200 0.042 0.000 1.034 217 S CB 0.365 63.619 63.200 0.089 0.000 0.939 217 S HN 1.626 nan 8.310 nan 0.000 0.513 218 S N 3.728 119.478 115.700 0.083 0.000 2.616 218 S HA 0.476 4.946 4.470 0.001 0.000 0.277 218 S C -2.084 172.583 174.600 0.111 0.000 1.234 218 S CA -1.177 57.077 58.200 0.090 0.000 1.028 218 S CB 0.850 64.096 63.200 0.076 0.000 0.988 218 S HN 0.560 nan 8.310 nan 0.000 0.522 219 P HA -0.101 nan 4.420 nan 0.000 0.216 219 P C 1.611 178.941 177.300 0.050 0.000 1.153 219 P CA 2.087 65.219 63.100 0.054 0.000 0.858 219 P CB -0.209 31.515 31.700 0.040 0.000 0.789 220 A N -1.111 121.747 122.820 0.064 0.000 1.883 220 A HA -0.225 4.095 4.320 0.001 0.000 0.217 220 A C 2.141 179.766 177.584 0.068 0.000 1.186 220 A CA 1.628 53.700 52.037 0.059 0.000 0.624 220 A CB -1.847 17.192 19.000 0.066 0.000 0.822 220 A HN 0.187 nan 8.150 nan 0.000 0.444 221 F N -0.394 119.539 119.950 -0.029 0.000 2.146 221 F HA -0.130 4.397 4.527 0.001 0.000 0.298 221 F C 2.077 177.851 175.800 -0.044 0.000 1.096 221 F CA 2.164 60.135 58.000 -0.049 0.000 1.275 221 F CB -0.286 38.651 39.000 -0.106 0.000 1.008 221 F HN 0.230 nan 8.300 nan 0.000 0.480 222 M N 0.705 120.229 119.600 -0.126 0.000 2.213 222 M HA -0.204 4.276 4.480 0.001 0.000 0.263 222 M C 2.035 178.220 176.300 -0.191 0.000 1.062 222 M CA 1.691 56.871 55.300 -0.201 0.000 1.105 222 M CB -0.620 31.972 32.600 -0.013 0.000 1.385 222 M HN 0.307 nan 8.290 nan 0.000 0.417 223 Q N -1.176 118.552 119.800 -0.120 0.000 2.123 223 Q HA -0.071 4.270 4.340 0.001 0.000 0.199 223 Q C 2.125 178.061 176.000 -0.106 0.000 0.966 223 Q CA 1.235 56.991 55.803 -0.079 0.000 0.845 223 Q CB -0.021 28.698 28.738 -0.031 0.000 0.907 223 Q HN 0.494 nan 8.270 nan 0.000 0.439 224 R N -0.050 120.355 120.500 -0.158 0.000 2.092 224 R HA -0.110 4.230 4.340 0.001 0.000 0.231 224 R C 2.155 178.348 176.300 -0.178 0.000 1.119 224 R CA 0.816 56.837 56.100 -0.132 0.000 0.970 224 R CB -0.274 29.960 30.300 -0.110 0.000 0.864 224 R HN 0.157 nan 8.270 nan 0.000 0.440 225 L N 1.143 122.147 121.223 -0.364 0.000 2.046 225 L HA -0.143 4.197 4.340 0.001 0.000 0.208 225 L C 2.353 179.154 176.870 -0.115 0.000 1.077 225 L CA 1.755 56.414 54.840 -0.301 0.000 0.747 225 L CB -0.437 41.320 42.059 -0.504 0.000 0.896 225 L HN -0.071 nan 8.230 nan 0.000 0.432 226 R N 0.133 120.570 120.500 -0.104 0.000 2.073 226 R HA -0.087 4.254 4.340 0.001 0.000 0.234 226 R C 2.141 178.430 176.300 -0.019 0.000 1.134 226 R CA 1.829 57.906 56.100 -0.038 0.000 0.952 226 R CB -0.942 29.341 30.300 -0.029 0.000 0.850 226 R HN 0.451 nan 8.270 nan 0.000 0.433 227 A N 0.602 123.407 122.820 -0.026 0.000 1.933 227 A HA -0.094 4.226 4.320 0.001 0.000 0.218 227 A C 2.253 179.841 177.584 0.006 0.000 1.175 227 A CA 1.439 53.469 52.037 -0.013 0.000 0.628 227 A CB -0.685 18.309 19.000 -0.010 0.000 0.814 227 A HN 0.460 nan 8.150 nan 0.000 0.444 228 L N -0.782 120.463 121.223 0.038 0.000 2.056 228 L HA -0.181 4.160 4.340 0.001 0.000 0.207 228 L C 2.413 179.383 176.870 0.166 0.000 1.078 228 L CA 1.855 56.773 54.840 0.131 0.000 0.749 228 L CB -0.368 41.775 42.059 0.140 0.000 0.901 228 L HN 0.451 nan 8.230 nan 0.000 0.433 229 C N 0.246 119.608 119.300 0.104 0.000 2.446 229 C HA -0.123 4.338 4.460 0.001 0.000 0.277 229 C C 2.307 177.322 174.990 0.042 0.000 1.275 229 C CA 0.604 59.684 59.018 0.103 0.000 1.727 229 C CB -0.965 26.815 27.740 0.066 0.000 2.010 229 C HN 0.603 nan 8.230 nan 0.000 0.486 230 D N 0.524 120.923 120.400 -0.001 0.000 2.123 230 D HA -0.165 4.476 4.640 0.001 0.000 0.196 230 D C 2.067 178.316 176.300 -0.085 0.000 0.992 230 D CA 1.244 55.221 54.000 -0.038 0.000 0.833 230 D CB -0.597 40.180 40.800 -0.038 0.000 0.954 230 D HN 0.628 nan 8.370 nan 0.000 0.455 231 E N -0.356 119.755 120.200 -0.148 0.000 2.204 231 E HA -0.167 4.184 4.350 0.001 0.000 0.195 231 E C 0.813 177.122 176.600 -0.484 0.000 0.990 231 E CA 0.826 57.027 56.400 -0.332 0.000 0.821 231 E CB 0.174 29.602 29.700 -0.453 0.000 0.750 231 E HN 0.418 nan 8.360 nan 0.000 0.477 232 H N -1.723 117.314 119.070 -0.055 0.000 2.674 232 H HA 0.212 4.768 4.556 0.001 0.000 0.274 232 H C 0.920 176.196 175.328 -0.086 0.000 1.121 232 H CA 0.550 56.535 56.048 -0.106 0.000 1.132 232 H CB 1.243 30.888 29.762 -0.196 0.000 1.606 232 H HN 0.296 nan 8.280 nan 0.000 0.558 233 G N 1.908 110.712 108.800 0.008 0.000 2.203 233 G HA2 -0.294 3.667 3.960 0.001 0.000 0.263 233 G HA3 -0.294 3.667 3.960 0.001 0.000 0.263 233 G C 0.219 175.124 174.900 0.008 0.000 1.012 233 G CA 0.208 45.302 45.100 -0.009 0.000 0.749 233 G HN 0.373 nan 8.290 nan 0.000 0.512 234 I N 1.106 121.701 120.570 0.042 0.000 2.365 234 I HA 0.285 4.455 4.170 0.001 0.000 0.291 234 I C 0.961 177.100 176.117 0.036 0.000 1.004 234 I CA -0.861 60.471 61.300 0.052 0.000 1.311 234 I CB 0.981 39.046 38.000 0.107 0.000 1.401 234 I HN -0.020 nan 8.210 nan 0.000 0.491 235 M N 6.684 126.300 119.600 0.026 0.000 2.188 235 M HA 0.158 4.639 4.480 0.001 0.000 0.354 235 M C -0.493 175.831 176.300 0.040 0.000 1.342 235 M CA -0.580 54.729 55.300 0.015 0.000 1.117 235 M CB 0.496 33.098 32.600 0.003 0.000 1.670 235 M HN 0.288 nan 8.290 nan 0.000 0.466 236 L N 6.376 127.621 121.223 0.037 0.000 2.261 236 L HA 0.463 4.803 4.340 0.001 0.000 0.289 236 L C -0.810 176.095 176.870 0.057 0.000 1.059 236 L CA 0.206 55.082 54.840 0.060 0.000 0.816 236 L CB 0.039 42.128 42.059 0.051 0.000 1.191 236 L HN 0.554 nan 8.230 nan 0.000 0.431 237 I N 5.549 126.161 120.570 0.070 0.000 2.321 237 I HA 0.487 4.657 4.170 0.001 0.000 0.291 237 I C 0.165 176.332 176.117 0.082 0.000 0.998 237 I CA -0.566 60.769 61.300 0.057 0.000 1.227 237 I CB 1.523 39.542 38.000 0.032 0.000 1.368 237 I HN 0.764 nan 8.210 nan 0.000 0.466 238 A N 5.004 127.871 122.820 0.078 0.000 2.249 238 A HA 0.302 4.623 4.320 0.001 0.000 0.314 238 A C -0.470 177.186 177.584 0.121 0.000 1.290 238 A CA -0.495 51.606 52.037 0.107 0.000 0.893 238 A CB 0.422 19.477 19.000 0.092 0.000 1.165 238 A HN 0.668 nan 8.150 nan 0.000 0.530 239 D N 2.737 123.235 120.400 0.164 0.000 2.441 239 D HA 0.137 4.777 4.640 0.001 0.000 0.221 239 D C 0.112 176.523 176.300 0.185 0.000 1.156 239 D CA 0.130 54.241 54.000 0.185 0.000 0.896 239 D CB 0.543 41.525 40.800 0.304 0.000 1.028 239 D HN 0.580 nan 8.370 nan 0.000 0.509 240 E N 2.445 122.767 120.200 0.204 0.000 2.499 240 E HA 0.158 4.508 4.350 0.001 0.000 0.207 240 E C 1.121 177.843 176.600 0.203 0.000 1.034 240 E CA -0.337 56.201 56.400 0.230 0.000 1.098 240 E CB 0.875 30.820 29.700 0.408 0.000 1.148 240 E HN 0.508 nan 8.360 nan 0.000 0.447 241 A N 1.002 123.918 122.820 0.160 0.000 1.883 241 A HA -0.272 4.048 4.320 0.001 0.000 0.217 241 A C 2.127 179.763 177.584 0.086 0.000 1.186 241 A CA 1.686 53.801 52.037 0.131 0.000 0.624 241 A CB -0.122 18.947 19.000 0.115 0.000 0.822 241 A HN 0.265 nan 8.150 nan 0.000 0.444 242 Q N -0.744 119.091 119.800 0.057 0.000 2.324 242 Q HA -0.042 4.298 4.340 0.001 0.000 0.207 242 Q C 2.106 178.074 176.000 -0.055 0.000 0.928 242 Q CA 1.205 57.012 55.803 0.006 0.000 0.890 242 Q CB 0.034 28.773 28.738 0.003 0.000 1.001 242 Q HN 0.706 nan 8.270 nan 0.000 0.517 243 S N -0.561 115.105 115.700 -0.055 0.000 2.461 243 S HA 0.103 4.574 4.470 0.001 0.000 0.228 243 S C 1.182 175.724 174.600 -0.097 0.000 1.005 243 S CA 0.239 58.380 58.200 -0.099 0.000 0.942 243 S CB -0.272 62.891 63.200 -0.062 0.000 0.776 243 S HN 0.409 nan 8.310 nan 0.000 0.514 244 G N 0.439 109.199 108.800 -0.068 0.000 2.486 244 G HA2 0.433 4.394 3.960 0.001 0.000 0.272 244 G HA3 0.433 4.394 3.960 0.001 0.000 0.272 244 G C 0.643 175.307 174.900 -0.394 0.000 1.426 244 G CA -0.323 44.614 45.100 -0.271 0.000 1.058 244 G HN 1.397 nan 8.290 nan 0.000 0.531 245 A N -2.488 119.921 122.820 -0.684 0.000 2.640 245 A HA 0.234 4.554 4.320 0.001 0.000 0.300 245 A C 2.136 179.399 177.584 -0.537 0.000 1.499 245 A CA 1.835 53.511 52.037 -0.602 0.000 0.759 245 A CB -1.522 17.313 19.000 -0.275 0.000 1.048 245 A HN 2.979 nan 8.150 nan 0.000 0.450 246 G N -1.475 106.986 108.800 -0.566 0.000 2.184 246 G HA2 -0.403 3.558 3.960 0.001 0.000 0.264 246 G HA3 -0.403 3.558 3.960 0.001 0.000 0.264 246 G C 0.901 175.765 174.900 -0.059 0.000 0.975 246 G CA 1.389 46.318 45.100 -0.286 0.000 0.642 246 G HN 1.525 nan 8.290 nan 0.000 0.536 247 R N 0.981 121.429 120.500 -0.086 0.000 2.117 247 R HA -0.077 4.264 4.340 0.001 0.000 0.243 247 R C 2.806 179.066 176.300 -0.066 0.000 1.143 247 R CA 2.731 58.797 56.100 -0.057 0.000 0.968 247 R CB -0.727 29.516 30.300 -0.095 0.000 0.863 247 R HN 0.746 nan 8.270 nan 0.000 0.444 248 T N -4.017 110.485 114.554 -0.086 0.000 3.144 248 T HA 0.304 4.655 4.350 0.001 0.000 0.249 248 T C 1.211 175.889 174.700 -0.036 0.000 1.089 248 T CA 0.396 62.456 62.100 -0.066 0.000 0.989 248 T CB 0.491 69.319 68.868 -0.067 0.000 0.992 248 T HN 0.403 nan 8.240 nan 0.000 0.540 249 G N 1.026 109.811 108.800 -0.025 0.000 2.254 249 G HA2 -0.181 3.780 3.960 0.001 0.000 0.225 249 G HA3 -0.181 3.780 3.960 0.001 0.000 0.225 249 G C 0.285 175.177 174.900 -0.013 0.000 1.003 249 G CA 0.152 45.248 45.100 -0.006 0.000 0.622 249 G HN 1.230 nan 8.290 nan 0.000 0.507 250 T N -1.784 112.746 114.554 -0.041 0.000 2.916 250 T HA 0.694 5.044 4.350 0.001 0.000 0.292 250 T C 1.136 175.753 174.700 -0.138 0.000 1.064 250 T CA 0.005 62.074 62.100 -0.052 0.000 1.011 250 T CB 2.165 71.022 68.868 -0.018 0.000 1.152 250 T HN 0.736 nan 8.240 nan 0.000 0.510 251 L N -0.052 121.058 121.223 -0.189 0.000 2.012 251 L HA 0.286 4.627 4.340 0.001 0.000 0.210 251 L C -0.148 176.346 176.870 -0.626 0.000 1.073 251 L CA 1.732 56.311 54.840 -0.434 0.000 0.748 251 L CB -0.590 41.253 42.059 -0.359 0.000 0.891 251 L HN 0.712 nan 8.230 nan 0.000 0.431 252 F N -2.330 117.553 119.950 -0.112 0.000 2.520 252 F HA 0.489 5.017 4.527 0.001 0.000 0.322 252 F C 1.110 176.883 175.800 -0.045 0.000 1.103 252 F CA -0.309 57.649 58.000 -0.070 0.000 0.926 252 F CB 1.275 40.244 39.000 -0.052 0.000 1.154 252 F HN -0.128 nan 8.300 nan 0.000 0.453 253 A N 2.987 125.884 122.820 0.127 0.000 1.940 253 A HA -0.163 4.157 4.320 0.001 0.000 0.219 253 A C 2.140 179.778 177.584 0.091 0.000 1.176 253 A CA 1.504 53.586 52.037 0.074 0.000 0.631 253 A CB -0.456 18.575 19.000 0.052 0.000 0.814 253 A HN 0.739 nan 8.150 nan 0.000 0.446 254 M N -0.048 119.628 119.600 0.126 0.000 2.267 254 M HA -0.173 4.308 4.480 0.001 0.000 0.263 254 M C 1.666 178.002 176.300 0.061 0.000 1.063 254 M CA 1.325 56.676 55.300 0.085 0.000 1.090 254 M CB -1.449 31.193 32.600 0.070 0.000 1.392 254 M HN 0.568 nan 8.290 nan 0.000 0.422 255 E N -0.159 120.085 120.200 0.072 0.000 2.265 255 E HA -0.204 4.147 4.350 0.001 0.000 0.196 255 E C 1.481 178.098 176.600 0.029 0.000 0.996 255 E CA 0.816 57.241 56.400 0.042 0.000 0.832 255 E CB -0.152 29.576 29.700 0.045 0.000 0.756 255 E HN 0.665 nan 8.360 nan 0.000 0.491 256 Q N -0.666 119.154 119.800 0.034 0.000 2.319 256 Q HA 0.144 4.485 4.340 0.001 0.000 0.202 256 Q C 1.309 177.327 176.000 0.031 0.000 0.896 256 Q CA -0.019 55.800 55.803 0.027 0.000 0.942 256 Q CB 0.509 29.262 28.738 0.025 0.000 1.083 256 Q HN 0.206 nan 8.270 nan 0.000 0.510 257 M N -1.355 118.267 119.600 0.035 0.000 2.509 257 M HA 0.193 4.674 4.480 0.001 0.000 0.250 257 M C 1.185 177.499 176.300 0.024 0.000 1.132 257 M CA 0.787 56.109 55.300 0.036 0.000 1.080 257 M CB 0.082 32.707 32.600 0.042 0.000 1.408 257 M HN 0.360 nan 8.290 nan 0.000 0.484 258 G N 1.420 110.231 108.800 0.019 0.000 2.159 258 G HA2 -0.199 3.762 3.960 0.001 0.000 0.256 258 G HA3 -0.199 3.762 3.960 0.001 0.000 0.256 258 G C 0.181 175.088 174.900 0.011 0.000 0.977 258 G CA 0.411 45.519 45.100 0.013 0.000 0.652 258 G HN 0.551 nan 8.290 nan 0.000 0.531 259 V N -3.724 116.198 119.914 0.015 0.000 3.159 259 V HA 1.002 5.122 4.120 0.001 0.000 0.308 259 V C -0.038 176.074 176.094 0.030 0.000 1.190 259 V CA -0.709 61.603 62.300 0.021 0.000 1.037 259 V CB 1.678 33.509 31.823 0.012 0.000 1.060 259 V HN 1.830 nan 8.190 nan 0.000 0.437 260 A N 2.477 125.331 122.820 0.056 0.000 2.350 260 A HA 1.015 5.336 4.320 0.001 0.000 0.324 260 A C -2.597 175.058 177.584 0.119 0.000 1.118 260 A CA -1.793 50.290 52.037 0.078 0.000 0.783 260 A CB 1.435 20.485 19.000 0.083 0.000 1.236 260 A HN 0.839 nan 8.150 nan 0.000 0.457 261 P HA 0.297 nan 4.420 nan 0.000 0.279 261 P C -0.577 176.800 177.300 0.129 0.000 1.276 261 P CA -0.261 62.893 63.100 0.089 0.000 0.801 261 P CB 1.180 32.917 31.700 0.061 0.000 1.127 262 D N -0.547 119.887 120.400 0.056 0.000 2.305 262 D HA 0.133 4.774 4.640 0.001 0.000 0.206 262 D C 0.487 176.804 176.300 0.029 0.000 0.974 262 D CA 1.069 55.068 54.000 -0.003 0.000 0.871 262 D CB 0.391 41.156 40.800 -0.059 0.000 0.947 262 D HN 0.241 nan 8.370 nan 0.000 0.516 263 L N -0.414 120.831 121.223 0.036 0.000 2.472 263 L HA 0.337 4.678 4.340 0.001 0.000 0.260 263 L C -0.780 176.101 176.870 0.020 0.000 0.963 263 L CA -0.404 54.452 54.840 0.025 0.000 0.829 263 L CB 2.852 44.916 42.059 0.009 0.000 1.348 263 L HN -0.358 nan 8.230 nan 0.000 0.408 264 T N 0.112 114.668 114.554 0.004 0.000 2.881 264 T HA 0.561 4.911 4.350 0.001 0.000 0.290 264 T C -0.483 174.235 174.700 0.031 0.000 1.000 264 T CA -0.634 61.464 62.100 -0.004 0.000 0.978 264 T CB 1.799 70.582 68.868 -0.142 0.000 0.997 264 T HN 0.672 nan 8.240 nan 0.000 0.443 265 T N 0.921 115.504 114.554 0.049 0.000 2.859 265 T HA 0.846 5.197 4.350 0.001 0.000 0.281 265 T C -0.583 174.184 174.700 0.111 0.000 1.005 265 T CA -0.830 61.246 62.100 -0.040 0.000 1.025 265 T CB 0.594 69.436 68.868 -0.044 0.000 0.977 265 T HN 0.495 nan 8.240 nan 0.000 0.458 266 F N 0.009 120.027 119.950 0.113 0.000 2.613 266 F HA 1.004 5.531 4.527 0.001 0.000 0.314 266 F C -0.261 175.595 175.800 0.094 0.000 1.075 266 F CA -1.123 56.978 58.000 0.168 0.000 0.945 266 F CB 1.155 40.326 39.000 0.285 0.000 1.310 266 F HN 1.014 nan 8.300 nan 0.000 0.467 267 A N 0.696 123.699 122.820 0.305 0.000 4.999 267 A HA 0.563 4.884 4.320 0.001 0.000 0.234 267 A C 0.210 177.885 177.584 0.151 0.000 0.948 267 A CA -0.223 51.922 52.037 0.181 0.000 0.605 267 A CB -0.414 18.629 19.000 0.071 0.000 1.908 267 A HN 0.886 nan 8.150 nan 0.000 0.935 268 K N -1.146 119.312 120.400 0.098 0.000 2.836 268 K HA -0.296 4.024 4.320 0.001 0.000 0.175 268 K C 1.565 178.206 176.600 0.070 0.000 0.789 268 K CA 2.239 58.567 56.287 0.067 0.000 0.485 268 K CB -1.622 30.907 32.500 0.049 0.000 0.744 268 K HN 0.537 nan 8.250 nan 0.000 0.798 269 S N 0.480 116.211 115.700 0.052 0.000 2.507 269 S HA -0.054 4.416 4.470 0.001 0.000 0.235 269 S C 1.663 176.302 174.600 0.065 0.000 0.988 269 S CA 0.923 59.157 58.200 0.056 0.000 0.944 269 S CB -0.173 63.056 63.200 0.049 0.000 0.762 269 S HN 0.336 nan 8.310 nan 0.000 0.526 270 I N 1.665 122.271 120.570 0.059 0.000 2.315 270 I HA -0.174 3.997 4.170 0.001 0.000 0.251 270 I C 1.783 177.941 176.117 0.069 0.000 1.125 270 I CA 1.238 62.557 61.300 0.031 0.000 1.392 270 I CB -0.206 37.867 38.000 0.121 0.000 1.065 270 I HN 0.240 nan 8.210 nan 0.000 0.424 271 A N -0.758 122.136 122.820 0.124 0.000 2.431 271 A HA 0.524 4.845 4.320 0.001 0.000 0.239 271 A C 1.593 179.324 177.584 0.246 0.000 1.230 271 A CA 0.304 52.440 52.037 0.165 0.000 0.928 271 A CB -0.652 18.470 19.000 0.203 0.000 1.006 271 A HN 0.658 nan 8.150 nan 0.000 0.520 272 G N -0.730 108.175 108.800 0.175 0.000 2.356 272 G HA2 0.154 4.114 3.960 0.001 0.000 0.296 272 G HA3 0.154 4.114 3.960 0.001 0.000 0.296 272 G C 1.294 176.295 174.900 0.169 0.000 1.022 272 G CA 1.012 46.206 45.100 0.158 0.000 0.961 272 G HN 2.100 nan 8.290 nan 0.000 0.510 273 G N -2.752 106.095 108.800 0.078 0.000 2.164 273 G HA2 0.073 4.033 3.960 0.001 0.000 0.154 273 G HA3 0.073 4.033 3.960 0.001 0.000 0.154 273 G C -0.015 174.564 174.900 -0.535 0.000 1.014 273 G CA 0.018 45.001 45.100 -0.195 0.000 0.683 273 G HN 1.145 nan 8.290 nan 0.000 0.500 274 F N 0.284 120.248 119.950 0.024 0.000 2.565 274 F HA 0.600 5.127 4.527 0.001 0.000 0.313 274 F C -2.290 173.524 175.800 0.024 0.000 1.091 274 F CA -2.804 55.209 58.000 0.022 0.000 0.915 274 F CB 1.934 40.950 39.000 0.027 0.000 1.208 274 F HN -0.199 nan 8.300 nan 0.000 0.453 275 P HA 0.260 nan 4.420 nan 0.000 0.264 275 P C -1.101 176.269 177.300 0.117 0.000 1.236 275 P CA 0.350 63.506 63.100 0.093 0.000 0.811 275 P CB 0.378 32.100 31.700 0.037 0.000 0.840 276 L N 2.998 124.289 121.223 0.113 0.000 2.591 276 L HA 0.782 5.122 4.340 0.001 0.000 0.257 276 L C -1.606 175.320 176.870 0.093 0.000 0.935 276 L CA -0.500 54.406 54.840 0.110 0.000 0.873 276 L CB 1.769 43.910 42.059 0.136 0.000 1.397 276 L HN 0.407 nan 8.230 nan 0.000 0.414 277 A N 1.857 124.689 122.820 0.021 0.000 2.529 277 A HA 1.057 5.377 4.320 0.001 0.000 0.296 277 A C -0.575 176.754 177.584 -0.424 0.000 1.205 277 A CA -0.111 51.846 52.037 -0.134 0.000 0.671 277 A CB 1.293 20.220 19.000 -0.122 0.000 1.301 277 A HN 1.718 nan 8.150 nan 0.000 0.450 278 G N -2.070 106.113 108.800 -1.029 0.000 2.441 278 G HA2 0.619 4.579 3.960 0.001 0.000 0.294 278 G HA3 0.619 4.579 3.960 0.001 0.000 0.294 278 G C -2.106 172.179 174.900 -1.025 0.000 1.393 278 G CA 0.120 44.579 45.100 -1.068 0.000 0.796 278 G HN 1.485 nan 8.290 nan 0.000 0.494 279 V N 0.271 119.921 119.914 -0.439 0.000 2.577 279 V HA 0.717 4.837 4.120 0.001 0.000 0.303 279 V C -0.379 175.734 176.094 0.032 0.000 1.042 279 V CA -0.580 61.620 62.300 -0.167 0.000 0.872 279 V CB 1.791 33.551 31.823 -0.105 0.000 0.998 279 V HN 0.851 nan 8.190 nan 0.000 0.423 280 T N 3.521 118.138 114.554 0.104 0.000 2.812 280 T HA 0.837 5.187 4.350 0.001 0.000 0.282 280 T C 0.195 174.924 174.700 0.049 0.000 0.990 280 T CA -0.229 61.928 62.100 0.096 0.000 0.960 280 T CB 1.678 70.599 68.868 0.087 0.000 0.948 280 T HN 1.124 nan 8.240 nan 0.000 0.438 281 G N 1.566 110.406 108.800 0.066 0.000 2.600 281 G HA2 0.514 4.475 3.960 0.001 0.000 0.293 281 G HA3 0.514 4.475 3.960 0.001 0.000 0.293 281 G C -1.273 173.702 174.900 0.126 0.000 1.408 281 G CA -1.114 44.043 45.100 0.094 0.000 0.782 281 G HN 0.647 nan 8.290 nan 0.000 0.482 282 R N 0.138 120.684 120.500 0.077 0.000 2.481 282 R HA 0.125 4.466 4.340 0.001 0.000 0.291 282 R C 1.695 177.995 176.300 0.001 0.000 0.934 282 R CA 0.555 56.623 56.100 -0.053 0.000 1.116 282 R CB 0.639 30.738 30.300 -0.335 0.000 0.895 282 R HN 0.665 nan 8.270 nan 0.000 0.410 283 A N 4.336 127.186 122.820 0.050 0.000 1.892 283 A HA -0.242 4.079 4.320 0.001 0.000 0.218 283 A C 1.940 179.524 177.584 0.001 0.000 1.188 283 A CA 1.858 53.916 52.037 0.035 0.000 0.631 283 A CB -0.336 18.694 19.000 0.051 0.000 0.822 283 A HN 0.895 nan 8.150 nan 0.000 0.447 284 E N 0.218 120.404 120.200 -0.023 0.000 2.204 284 E HA -0.100 4.251 4.350 0.001 0.000 0.194 284 E C 1.873 178.450 176.600 -0.039 0.000 0.989 284 E CA 1.545 57.926 56.400 -0.032 0.000 0.824 284 E CB -0.823 28.851 29.700 -0.044 0.000 0.756 284 E HN 0.353 nan 8.360 nan 0.000 0.477 285 V N 1.494 121.375 119.914 -0.055 0.000 2.323 285 V HA -0.198 3.923 4.120 0.001 0.000 0.244 285 V C 2.638 178.715 176.094 -0.029 0.000 1.041 285 V CA 1.644 63.914 62.300 -0.051 0.000 1.025 285 V CB -0.429 31.352 31.823 -0.070 0.000 0.656 285 V HN 0.208 nan 8.190 nan 0.000 0.451 286 M N -0.255 119.335 119.600 -0.016 0.000 2.149 286 M HA -0.153 4.328 4.480 0.001 0.000 0.261 286 M C 1.617 177.916 176.300 -0.001 0.000 1.064 286 M CA 1.538 56.837 55.300 -0.002 0.000 1.102 286 M CB -1.186 31.423 32.600 0.014 0.000 1.369 286 M HN 0.298 nan 8.290 nan 0.000 0.408 287 D N 0.226 120.625 120.400 -0.002 0.000 2.349 287 D HA 0.140 4.780 4.640 0.001 0.000 0.224 287 D C 1.701 177.996 176.300 -0.007 0.000 1.029 287 D CA 0.341 54.340 54.000 -0.000 0.000 0.879 287 D CB 0.064 40.865 40.800 0.002 0.000 0.906 287 D HN 0.253 nan 8.370 nan 0.000 0.528 288 A N -0.112 122.699 122.820 -0.014 0.000 2.067 288 A HA -0.040 4.280 4.320 0.001 0.000 0.219 288 A C 1.241 178.817 177.584 -0.015 0.000 1.158 288 A CA 0.394 52.420 52.037 -0.017 0.000 0.661 288 A CB 0.066 19.052 19.000 -0.023 0.000 0.801 288 A HN 0.078 nan 8.150 nan 0.000 0.452 289 V N 0.758 120.665 119.914 -0.012 0.000 2.530 289 V HA 0.449 4.569 4.120 0.001 0.000 0.282 289 V C 0.893 176.984 176.094 -0.006 0.000 1.048 289 V CA -0.477 61.816 62.300 -0.011 0.000 0.997 289 V CB 0.614 32.430 31.823 -0.010 0.000 0.987 289 V HN 0.505 nan 8.190 nan 0.000 0.477 290 A N 8.203 131.019 122.820 -0.008 0.000 2.425 290 A HA 0.506 4.826 4.320 0.001 0.000 0.242 290 A C -1.930 175.652 177.584 -0.002 0.000 1.077 290 A CA -1.115 50.918 52.037 -0.006 0.000 0.781 290 A CB -0.347 18.648 19.000 -0.008 0.000 1.020 290 A HN 0.725 nan 8.150 nan 0.000 0.494 291 P HA 0.186 nan 4.420 nan 0.000 0.261 291 P C 0.827 178.127 177.300 -0.000 0.000 1.183 291 P CA 1.525 64.625 63.100 0.001 0.000 0.761 291 P CB 0.596 32.295 31.700 -0.002 0.000 0.785 292 G N 2.651 111.453 108.800 0.004 0.000 2.195 292 G HA2 -0.207 3.754 3.960 0.001 0.000 0.224 292 G HA3 -0.207 3.754 3.960 0.001 0.000 0.224 292 G C 0.998 175.901 174.900 0.003 0.000 0.990 292 G CA 0.065 45.167 45.100 0.003 0.000 0.639 292 G HN 0.769 nan 8.290 nan 0.000 0.514 293 G N -0.198 108.603 108.800 0.002 0.000 2.880 293 G HA2 0.501 4.461 3.960 0.001 0.000 0.209 293 G HA3 0.501 4.461 3.960 0.001 0.000 0.209 293 G C 0.526 175.427 174.900 0.002 0.000 1.157 293 G CA 0.469 45.567 45.100 -0.002 0.000 0.779 293 G HN 0.555 nan 8.290 nan 0.000 0.539 294 L N -0.402 120.829 121.223 0.014 0.000 2.381 294 L HA 0.790 5.130 4.340 0.001 0.000 0.268 294 L C 0.410 177.306 176.870 0.043 0.000 0.997 294 L CA -0.519 54.335 54.840 0.024 0.000 0.818 294 L CB 2.313 44.389 42.059 0.028 0.000 1.310 294 L HN 0.206 nan 8.230 nan 0.000 0.416 295 G N 0.752 109.582 108.800 0.051 0.000 2.360 295 G HA2 0.563 4.524 3.960 0.001 0.000 0.276 295 G HA3 0.563 4.524 3.960 0.001 0.000 0.276 295 G C -0.971 173.975 174.900 0.076 0.000 1.256 295 G CA 0.090 45.234 45.100 0.075 0.000 0.890 295 G HN 1.038 nan 8.290 nan 0.000 0.486 296 G N -2.276 106.572 108.800 0.081 0.000 2.306 296 G HA2 0.505 4.465 3.960 0.001 0.000 0.340 296 G HA3 0.505 4.465 3.960 0.001 0.000 0.340 296 G C 0.449 175.405 174.900 0.092 0.000 1.630 296 G CA 0.685 45.827 45.100 0.070 0.000 0.937 296 G HN 1.282 nan 8.290 nan 0.000 0.693 297 T N 1.100 115.658 114.554 0.007 0.000 2.580 297 T HA -0.183 4.168 4.350 0.001 0.000 0.265 297 T C 1.912 176.720 174.700 0.179 0.000 1.063 297 T CA 2.630 64.722 62.100 -0.012 0.000 1.170 297 T CB -0.276 68.401 68.868 -0.318 0.000 0.863 297 T HN 0.519 nan 8.240 nan 0.000 0.418 298 Y N 1.489 121.924 120.300 0.226 0.000 2.519 298 Y HA 0.520 5.071 4.550 0.001 0.000 0.287 298 Y C 1.615 177.674 175.900 0.265 0.000 1.128 298 Y CA -1.008 57.246 58.100 0.257 0.000 1.282 298 Y CB -1.145 37.406 38.460 0.153 0.000 1.027 298 Y HN 0.165 nan 8.280 nan 0.000 0.551 299 A N 1.025 124.063 122.820 0.364 0.000 2.602 299 A HA 0.240 4.560 4.320 0.001 0.000 0.257 299 A C 1.617 179.428 177.584 0.379 0.000 0.973 299 A CA 1.022 53.239 52.037 0.301 0.000 0.862 299 A CB -1.013 18.142 19.000 0.258 0.000 0.855 299 A HN 1.048 nan 8.150 nan 0.000 0.492 300 G N 2.736 111.663 108.800 0.211 0.000 2.338 300 G HA2 -0.299 3.662 3.960 0.001 0.000 0.296 300 G HA3 -0.299 3.662 3.960 0.001 0.000 0.296 300 G C 0.220 175.356 174.900 0.394 0.000 1.040 300 G CA 0.357 45.538 45.100 0.137 0.000 1.004 300 G HN 1.338 nan 8.290 nan 0.000 0.509 301 N N 0.331 119.215 118.700 0.308 0.000 2.292 301 N HA 0.032 4.773 4.740 0.001 0.000 0.258 301 N C -0.341 175.280 175.510 0.184 0.000 1.261 301 N CA -0.360 52.850 53.050 0.267 0.000 0.845 301 N CB 0.892 39.489 38.487 0.184 0.000 1.064 301 N HN 0.086 nan 8.380 nan 0.000 0.471 302 P HA -0.181 nan 4.420 nan 0.000 0.214 302 P C 1.629 178.922 177.300 -0.011 0.000 1.163 302 P CA 1.060 64.121 63.100 -0.066 0.000 0.889 302 P CB 0.199 31.697 31.700 -0.337 0.000 0.790 303 I N -0.468 120.086 120.570 -0.026 0.000 2.127 303 I HA -0.248 3.922 4.170 0.001 0.000 0.241 303 I C 2.228 178.273 176.117 -0.121 0.000 1.075 303 I CA 2.120 63.379 61.300 -0.069 0.000 1.334 303 I CB -1.897 36.087 38.000 -0.026 0.000 1.040 303 I HN -0.070 nan 8.210 nan 0.000 0.405 304 A N -0.110 122.700 122.820 -0.017 0.000 1.969 304 A HA -0.196 4.124 4.320 0.001 0.000 0.218 304 A C 2.589 180.174 177.584 0.003 0.000 1.169 304 A CA 1.609 53.654 52.037 0.014 0.000 0.635 304 A CB -1.035 18.047 19.000 0.136 0.000 0.810 304 A HN 0.516 nan 8.150 nan 0.000 0.445 305 C N -0.826 118.495 119.300 0.035 0.000 2.436 305 C HA -0.095 4.365 4.460 0.001 0.000 0.277 305 C C 2.861 177.854 174.990 0.004 0.000 1.241 305 C CA 1.312 60.356 59.018 0.043 0.000 1.721 305 C CB -1.277 26.539 27.740 0.126 0.000 2.043 305 C HN 0.679 nan 8.230 nan 0.000 0.472 306 V N 0.576 120.478 119.914 -0.019 0.000 2.594 306 V HA -0.055 4.065 4.120 0.001 0.000 0.253 306 V C 2.383 178.425 176.094 -0.087 0.000 1.069 306 V CA 2.080 64.356 62.300 -0.041 0.000 1.082 306 V CB -1.494 30.301 31.823 -0.047 0.000 0.680 306 V HN 0.439 nan 8.190 nan 0.000 0.469 307 A N 0.944 123.670 122.820 -0.156 0.000 1.873 307 A HA 0.096 4.416 4.320 0.001 0.000 0.215 307 A C 2.531 180.081 177.584 -0.057 0.000 1.186 307 A CA 2.341 54.261 52.037 -0.195 0.000 0.616 307 A CB -1.139 17.622 19.000 -0.399 0.000 0.823 307 A HN 0.929 nan 8.150 nan 0.000 0.442 308 A N -0.227 122.580 122.820 -0.022 0.000 1.902 308 A HA -0.049 4.271 4.320 0.001 0.000 0.217 308 A C 2.175 179.745 177.584 -0.024 0.000 1.181 308 A CA 1.515 53.550 52.037 -0.003 0.000 0.623 308 A CB -0.678 18.323 19.000 0.002 0.000 0.818 308 A HN 0.470 nan 8.150 nan 0.000 0.443 309 L N -0.983 120.224 121.223 -0.027 0.000 2.042 309 L HA -0.218 4.122 4.340 0.001 0.000 0.210 309 L C 2.686 179.545 176.870 -0.018 0.000 1.076 309 L CA 1.772 56.598 54.840 -0.023 0.000 0.749 309 L CB -0.443 41.610 42.059 -0.010 0.000 0.893 309 L HN 0.375 nan 8.230 nan 0.000 0.432 310 E N -0.075 120.111 120.200 -0.023 0.000 2.072 310 E HA -0.142 4.209 4.350 0.001 0.000 0.191 310 E C 2.172 178.754 176.600 -0.029 0.000 0.985 310 E CA 0.932 57.318 56.400 -0.024 0.000 0.801 310 E CB -0.183 29.499 29.700 -0.029 0.000 0.750 310 E HN 0.157 nan 8.360 nan 0.000 0.452 311 V N 0.714 120.621 119.914 -0.012 0.000 2.324 311 V HA -0.289 3.832 4.120 0.001 0.000 0.250 311 V C 2.382 178.560 176.094 0.139 0.000 1.060 311 V CA 1.811 64.133 62.300 0.036 0.000 1.042 311 V CB -0.486 31.392 31.823 0.090 0.000 0.650 311 V HN 0.301 nan 8.190 nan 0.000 0.450 312 L N -0.778 120.483 121.223 0.063 0.000 2.093 312 L HA -0.183 4.157 4.340 0.001 0.000 0.208 312 L C 2.548 179.460 176.870 0.070 0.000 1.085 312 L CA 1.615 56.482 54.840 0.046 0.000 0.755 312 L CB -0.631 41.399 42.059 -0.048 0.000 0.904 312 L HN 0.275 nan 8.230 nan 0.000 0.435 313 K N -0.335 120.082 120.400 0.029 0.000 2.097 313 K HA -0.121 4.200 4.320 0.001 0.000 0.206 313 K C 2.064 178.672 176.600 0.014 0.000 1.049 313 K CA 1.042 57.340 56.287 0.018 0.000 0.933 313 K CB -0.193 32.309 32.500 0.003 0.000 0.717 313 K HN 0.091 nan 8.250 nan 0.000 0.442 314 V N 0.772 120.669 119.914 -0.027 0.000 2.427 314 V HA -0.210 3.910 4.120 0.001 0.000 0.248 314 V C 1.854 177.887 176.094 -0.101 0.000 1.051 314 V CA 1.591 63.816 62.300 -0.125 0.000 1.048 314 V CB -0.478 31.113 31.823 -0.386 0.000 0.666 314 V HN 0.178 nan 8.190 nan 0.000 0.456 315 F N 0.541 120.427 119.950 -0.106 0.000 2.171 315 F HA -0.187 4.341 4.527 0.001 0.000 0.300 315 F C 2.420 178.185 175.800 -0.058 0.000 1.090 315 F CA 2.072 60.021 58.000 -0.084 0.000 1.293 315 F CB -0.155 38.787 39.000 -0.096 0.000 1.013 315 F HN 0.198 nan 8.300 nan 0.000 0.486 316 E N 0.187 120.463 120.200 0.127 0.000 2.016 316 E HA -0.184 4.167 4.350 0.001 0.000 0.190 316 E C 2.102 178.720 176.600 0.030 0.000 0.985 316 E CA 1.455 57.893 56.400 0.065 0.000 0.802 316 E CB -0.291 29.435 29.700 0.042 0.000 0.762 316 E HN 0.394 nan 8.360 nan 0.000 0.448 317 Q N -0.003 119.807 119.800 0.016 0.000 2.096 317 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 317 Q C 1.585 177.585 176.000 0.000 0.000 0.982 317 Q CA 1.738 57.546 55.803 0.008 0.000 0.850 317 Q CB -0.053 28.691 28.738 0.011 0.000 0.901 317 Q HN 0.367 nan 8.270 nan 0.000 0.422 318 E N 0.036 120.223 120.200 -0.022 0.000 2.463 318 E HA 0.053 4.404 4.350 0.001 0.000 0.193 318 E C -0.654 175.920 176.600 -0.044 0.000 1.041 318 E CA -0.279 56.102 56.400 -0.033 0.000 0.879 318 E CB 0.153 29.824 29.700 -0.047 0.000 0.997 318 E HN 0.312 nan 8.360 nan 0.000 0.478 319 N N 0.656 119.343 118.700 -0.022 0.000 2.714 319 N HA -0.209 4.532 4.740 0.001 0.000 0.253 319 N C 0.428 175.922 175.510 -0.026 0.000 1.024 319 N CA 0.067 53.114 53.050 -0.005 0.000 0.726 319 N CB -0.923 37.563 38.487 -0.002 0.000 0.908 319 N HN 0.237 nan 8.380 nan 0.000 0.542 320 L N -0.715 120.463 121.223 -0.075 0.000 2.201 320 L HA -0.112 4.228 4.340 0.001 0.000 0.212 320 L C 2.038 178.930 176.870 0.038 0.000 1.105 320 L CA 0.909 55.656 54.840 -0.154 0.000 0.775 320 L CB -0.232 41.416 42.059 -0.685 0.000 0.913 320 L HN 0.447 nan 8.230 nan 0.000 0.440 321 L N -0.591 120.723 121.223 0.153 0.000 2.056 321 L HA -0.199 4.142 4.340 0.001 0.000 0.207 321 L C 2.654 179.555 176.870 0.051 0.000 1.078 321 L CA 0.928 55.844 54.840 0.125 0.000 0.749 321 L CB -0.408 41.710 42.059 0.099 0.000 0.901 321 L HN 0.263 nan 8.230 nan 0.000 0.433 322 Q N 0.798 120.617 119.800 0.033 0.000 2.119 322 Q HA -0.171 4.169 4.340 0.001 0.000 0.201 322 Q C 2.030 178.032 176.000 0.005 0.000 0.972 322 Q CA 1.620 57.432 55.803 0.015 0.000 0.847 322 Q CB 0.017 28.762 28.738 0.011 0.000 0.903 322 Q HN 0.305 nan 8.270 nan 0.000 0.433 323 K N -0.480 119.916 120.400 -0.005 0.000 2.097 323 K HA -0.014 4.307 4.320 0.001 0.000 0.205 323 K C 2.024 178.614 176.600 -0.018 0.000 1.050 323 K CA 0.905 57.181 56.287 -0.019 0.000 0.938 323 K CB -0.193 32.282 32.500 -0.042 0.000 0.718 323 K HN 0.264 nan 8.250 nan 0.000 0.442 324 A N 2.288 125.105 122.820 -0.006 0.000 1.858 324 A HA -0.208 4.113 4.320 0.001 0.000 0.216 324 A C 1.847 179.428 177.584 -0.005 0.000 1.190 324 A CA 1.656 53.691 52.037 -0.003 0.000 0.617 324 A CB -0.526 18.490 19.000 0.026 0.000 0.827 324 A HN 0.236 nan 8.150 nan 0.000 0.443 325 N N 0.498 119.200 118.700 0.003 0.000 2.166 325 N HA -0.139 4.602 4.740 0.001 0.000 0.186 325 N C 1.085 176.596 175.510 0.001 0.000 1.019 325 N CA 1.636 54.688 53.050 0.003 0.000 0.856 325 N CB -0.451 38.040 38.487 0.006 0.000 0.993 325 N HN 0.468 nan 8.380 nan 0.000 0.426 326 D N 0.818 121.217 120.400 -0.001 0.000 2.123 326 D HA -0.088 4.552 4.640 0.001 0.000 0.200 326 D C 2.088 178.385 176.300 -0.005 0.000 0.976 326 D CA 0.249 54.248 54.000 -0.001 0.000 0.831 326 D CB -0.386 40.413 40.800 -0.002 0.000 0.974 326 D HN 0.118 nan 8.370 nan 0.000 0.469 327 L N 1.223 122.438 121.223 -0.014 0.000 2.012 327 L HA -0.024 4.316 4.340 0.001 0.000 0.210 327 L C 2.169 179.027 176.870 -0.020 0.000 1.073 327 L CA 2.192 57.017 54.840 -0.024 0.000 0.748 327 L CB -1.081 40.950 42.059 -0.046 0.000 0.891 327 L HN 0.062 nan 8.230 nan 0.000 0.431 328 G N -1.450 107.342 108.800 -0.014 0.000 2.440 328 G HA2 -0.353 3.607 3.960 0.001 0.000 0.218 328 G HA3 -0.353 3.607 3.960 0.001 0.000 0.218 328 G C 1.504 176.408 174.900 0.007 0.000 1.154 328 G CA 0.894 45.992 45.100 -0.003 0.000 0.767 328 G HN 0.484 nan 8.290 nan 0.000 0.552 329 Q N 0.676 120.481 119.800 0.007 0.000 2.046 329 Q HA 0.008 4.349 4.340 0.001 0.000 0.200 329 Q C 2.506 178.514 176.000 0.013 0.000 0.975 329 Q CA 1.658 57.468 55.803 0.011 0.000 0.836 329 Q CB -0.264 28.480 28.738 0.010 0.000 0.896 329 Q HN 0.489 nan 8.270 nan 0.000 0.428 330 K N -0.224 120.183 120.400 0.011 0.000 2.032 330 K HA -0.125 4.196 4.320 0.001 0.000 0.209 330 K C 2.167 178.781 176.600 0.024 0.000 1.048 330 K CA 1.476 57.773 56.287 0.017 0.000 0.927 330 K CB -0.298 32.212 32.500 0.017 0.000 0.712 330 K HN 0.223 nan 8.250 nan 0.000 0.441 331 L N 1.208 122.444 121.223 0.021 0.000 2.017 331 L HA -0.221 4.119 4.340 0.001 0.000 0.208 331 L C 2.394 179.283 176.870 0.032 0.000 1.073 331 L CA 1.492 56.352 54.840 0.033 0.000 0.745 331 L CB -0.372 41.696 42.059 0.014 0.000 0.894 331 L HN 0.170 nan 8.230 nan 0.000 0.432 332 K N -0.368 120.046 120.400 0.024 0.000 2.097 332 K HA -0.154 4.166 4.320 0.001 0.000 0.205 332 K C 1.709 178.320 176.600 0.018 0.000 1.050 332 K CA 1.233 57.534 56.287 0.023 0.000 0.938 332 K CB -0.130 32.385 32.500 0.024 0.000 0.718 332 K HN 0.279 nan 8.250 nan 0.000 0.442 333 D N 0.244 120.655 120.400 0.018 0.000 2.097 333 D HA -0.113 4.528 4.640 0.001 0.000 0.195 333 D C 1.974 178.283 176.300 0.015 0.000 0.989 333 D CA 1.380 55.390 54.000 0.016 0.000 0.827 333 D CB -0.479 40.330 40.800 0.016 0.000 0.966 333 D HN 0.318 nan 8.370 nan 0.000 0.456 334 G N 0.790 109.603 108.800 0.022 0.000 2.421 334 G HA2 -0.202 3.759 3.960 0.001 0.000 0.216 334 G HA3 -0.202 3.759 3.960 0.001 0.000 0.216 334 G C 1.829 176.737 174.900 0.013 0.000 1.171 334 G CA 0.387 45.502 45.100 0.024 0.000 0.775 334 G HN 0.248 nan 8.290 nan 0.000 0.543 335 L N -0.121 121.109 121.223 0.012 0.000 2.093 335 L HA 0.042 4.382 4.340 0.001 0.000 0.208 335 L C 2.863 179.711 176.870 -0.037 0.000 1.085 335 L CA 0.394 55.225 54.840 -0.016 0.000 0.755 335 L CB -0.355 41.702 42.059 -0.003 0.000 0.904 335 L HN 0.164 nan 8.230 nan 0.000 0.435 336 L N -0.444 120.770 121.223 -0.014 0.000 2.131 336 L HA -0.205 4.136 4.340 0.001 0.000 0.210 336 L C 2.853 179.713 176.870 -0.017 0.000 1.092 336 L CA 0.996 55.828 54.840 -0.012 0.000 0.759 336 L CB -0.658 41.403 42.059 0.003 0.000 0.903 336 L HN 0.262 nan 8.230 nan 0.000 0.435 337 A N 0.506 123.319 122.820 -0.011 0.000 1.877 337 A HA -0.189 4.131 4.320 0.001 0.000 0.216 337 A C 2.169 179.745 177.584 -0.014 0.000 1.186 337 A CA 1.557 53.590 52.037 -0.007 0.000 0.620 337 A CB -0.652 18.350 19.000 0.003 0.000 0.822 337 A HN 0.352 nan 8.150 nan 0.000 0.443 338 I N -0.089 120.464 120.570 -0.029 0.000 2.361 338 I HA -0.266 3.904 4.170 0.001 0.000 0.251 338 I C 2.804 178.886 176.117 -0.059 0.000 1.133 338 I CA 0.949 62.226 61.300 -0.038 0.000 1.413 338 I CB -0.276 37.647 38.000 -0.128 0.000 1.073 338 I HN 0.355 nan 8.210 nan 0.000 0.424 339 A N 0.371 123.134 122.820 -0.096 0.000 2.067 339 A HA -0.177 4.143 4.320 0.001 0.000 0.219 339 A C 2.138 179.703 177.584 -0.033 0.000 1.158 339 A CA 1.263 53.251 52.037 -0.082 0.000 0.661 339 A CB -0.478 18.484 19.000 -0.062 0.000 0.801 339 A HN 0.458 nan 8.150 nan 0.000 0.452 340 E N -0.127 120.056 120.200 -0.029 0.000 2.204 340 E HA -0.146 4.205 4.350 0.001 0.000 0.194 340 E C 1.310 177.873 176.600 -0.061 0.000 0.989 340 E CA 1.163 57.545 56.400 -0.031 0.000 0.824 340 E CB -0.067 29.619 29.700 -0.023 0.000 0.756 340 E HN 0.632 nan 8.360 nan 0.000 0.477 341 K N -0.198 120.146 120.400 -0.092 0.000 2.358 341 K HA 0.126 4.447 4.320 0.001 0.000 0.197 341 K C -0.040 176.243 176.600 -0.527 0.000 1.025 341 K CA 0.186 56.321 56.287 -0.255 0.000 1.104 341 K CB 0.637 32.984 32.500 -0.254 0.000 0.855 341 K HN 0.071 nan 8.250 nan 0.000 0.531 342 H N -0.014 119.021 119.070 -0.059 0.000 3.177 342 H HA 0.130 4.687 4.556 0.001 0.000 0.314 342 H C -2.405 172.898 175.328 -0.042 0.000 1.059 342 H CA -1.795 54.229 56.048 -0.040 0.000 1.515 342 H CB 1.829 31.533 29.762 -0.096 0.000 1.672 342 H HN -0.142 nan 8.280 nan 0.000 0.514 343 P HA -0.144 nan 4.420 nan 0.000 0.219 343 P C 1.171 178.523 177.300 0.087 0.000 1.146 343 P CA 1.027 64.159 63.100 0.054 0.000 0.808 343 P CB 0.585 32.305 31.700 0.033 0.000 0.779 344 E N -0.308 119.970 120.200 0.129 0.000 2.219 344 E HA -0.127 4.223 4.350 0.001 0.000 0.198 344 E C 0.707 177.381 176.600 0.123 0.000 0.998 344 E CA 0.656 57.149 56.400 0.154 0.000 0.818 344 E CB -0.830 28.996 29.700 0.210 0.000 0.741 344 E HN 0.337 nan 8.360 nan 0.000 0.477 345 I N 1.168 121.772 120.570 0.057 0.000 2.357 345 I HA 0.050 4.221 4.170 0.001 0.000 0.300 345 I C 1.244 177.408 176.117 0.079 0.000 1.159 345 I CA -0.068 61.231 61.300 -0.001 0.000 1.339 345 I CB 0.527 38.446 38.000 -0.135 0.000 1.458 345 I HN 0.056 nan 8.210 nan 0.000 0.577 346 G N 3.814 112.719 108.800 0.175 0.000 2.985 346 G HA2 0.014 3.975 3.960 0.001 0.000 0.209 346 G HA3 0.014 3.975 3.960 0.001 0.000 0.209 346 G C -0.034 175.085 174.900 0.365 0.000 1.165 346 G CA 0.198 45.524 45.100 0.377 0.000 0.776 346 G HN 0.592 nan 8.290 nan 0.000 0.541 347 D N -1.189 119.320 120.400 0.180 0.000 2.746 347 D HA 0.296 4.936 4.640 0.001 0.000 0.211 347 D C -1.387 174.952 176.300 0.065 0.000 1.242 347 D CA -0.343 53.743 54.000 0.143 0.000 0.790 347 D CB 1.790 42.706 40.800 0.193 0.000 1.744 347 D HN -0.126 nan 8.370 nan 0.000 0.520 348 V N 4.306 124.255 119.914 0.058 0.000 2.409 348 V HA 0.705 4.826 4.120 0.001 0.000 0.290 348 V C -0.073 176.051 176.094 0.050 0.000 1.017 348 V CA -0.522 61.799 62.300 0.036 0.000 0.841 348 V CB 1.313 33.150 31.823 0.023 0.000 1.003 348 V HN 0.627 nan 8.190 nan 0.000 0.426 349 R N 3.057 123.589 120.500 0.053 0.000 2.831 349 R HA 0.991 5.332 4.340 0.001 0.000 0.266 349 R C -0.285 176.062 176.300 0.078 0.000 1.051 349 R CA -0.791 55.349 56.100 0.068 0.000 0.943 349 R CB 2.362 32.713 30.300 0.085 0.000 1.228 349 R HN 1.079 nan 8.270 nan 0.000 0.467 350 G N 0.623 109.466 108.800 0.071 0.000 2.312 350 G HA2 0.177 4.138 3.960 0.001 0.000 0.322 350 G HA3 0.177 4.138 3.960 0.001 0.000 0.322 350 G C -1.448 173.469 174.900 0.029 0.000 1.645 350 G CA -1.081 44.056 45.100 0.062 0.000 0.919 350 G HN 0.385 nan 8.290 nan 0.000 0.699 351 L N 2.335 123.558 121.223 -0.000 0.000 2.312 351 L HA 0.573 4.913 4.340 0.001 0.000 0.281 351 L C 1.729 178.588 176.870 -0.019 0.000 1.070 351 L CA 0.693 55.528 54.840 -0.008 0.000 0.805 351 L CB 0.987 43.035 42.059 -0.019 0.000 1.174 351 L HN 1.693 nan 8.230 nan 0.000 0.434 352 G N 3.136 111.932 108.800 -0.008 0.000 2.665 352 G HA2 -0.408 3.553 3.960 0.001 0.000 0.326 352 G HA3 -0.408 3.553 3.960 0.001 0.000 0.326 352 G C 0.619 175.513 174.900 -0.009 0.000 1.231 352 G CA 0.571 45.665 45.100 -0.010 0.000 0.992 352 G HN 0.914 nan 8.290 nan 0.000 0.549 353 A N -0.772 122.037 122.820 -0.017 0.000 2.500 353 A HA 0.697 5.017 4.320 0.001 0.000 0.267 353 A C 1.172 178.759 177.584 0.004 0.000 1.290 353 A CA 0.987 53.015 52.037 -0.015 0.000 0.928 353 A CB 0.048 19.030 19.000 -0.030 0.000 1.066 353 A HN 0.736 nan 8.150 nan 0.000 0.516 354 M N 2.182 121.771 119.600 -0.018 0.000 3.396 354 M HA 0.300 4.781 4.480 0.001 0.000 0.255 354 M C -1.290 175.120 176.300 0.184 0.000 1.398 354 M CA -0.117 55.157 55.300 -0.042 0.000 1.554 354 M CB -0.346 32.037 32.600 -0.361 0.000 1.070 354 M HN 0.084 nan 8.290 nan 0.000 0.587 355 I N 2.164 122.901 120.570 0.279 0.000 2.428 355 I HA 0.688 4.858 4.170 0.001 0.000 0.296 355 I C 0.166 176.384 176.117 0.168 0.000 0.985 355 I CA -0.513 60.911 61.300 0.207 0.000 1.260 355 I CB 0.932 38.978 38.000 0.077 0.000 1.389 355 I HN 0.548 nan 8.210 nan 0.000 0.484 356 A N 7.090 129.961 122.820 0.085 0.000 2.587 356 A HA 0.892 5.213 4.320 0.001 0.000 0.293 356 A C -0.902 176.650 177.584 -0.053 0.000 1.087 356 A CA -0.576 51.406 52.037 -0.093 0.000 0.692 356 A CB 2.193 21.051 19.000 -0.236 0.000 1.291 356 A HN 0.687 nan 8.150 nan 0.000 0.407 357 I N -1.778 118.743 120.570 -0.081 0.000 2.647 357 I HA 0.829 5.000 4.170 0.001 0.000 0.295 357 I C -0.652 175.411 176.117 -0.089 0.000 1.078 357 I CA -0.552 60.718 61.300 -0.050 0.000 1.048 357 I CB 2.161 40.147 38.000 -0.024 0.000 1.239 357 I HN 0.750 nan 8.210 nan 0.000 0.421 358 E N 5.617 125.753 120.200 -0.107 0.000 2.199 358 E HA 0.618 4.969 4.350 0.001 0.000 0.269 358 E C -1.676 174.715 176.600 -0.347 0.000 0.899 358 E CA -0.802 55.460 56.400 -0.229 0.000 0.772 358 E CB 2.000 31.564 29.700 -0.225 0.000 1.155 358 E HN 0.678 nan 8.360 nan 0.000 0.408 359 L N 4.818 125.829 121.223 -0.354 0.000 2.317 359 L HA 0.551 4.891 4.340 0.001 0.000 0.281 359 L C -0.756 175.893 176.870 -0.369 0.000 1.024 359 L CA -0.730 53.967 54.840 -0.239 0.000 0.810 359 L CB 0.848 42.900 42.059 -0.013 0.000 1.240 359 L HN 0.570 nan 8.230 nan 0.000 0.427 360 F N 0.012 120.020 119.950 0.096 0.000 2.565 360 F HA 0.313 4.841 4.527 0.001 0.000 0.313 360 F C 0.265 176.085 175.800 0.033 0.000 1.091 360 F CA -0.960 57.076 58.000 0.060 0.000 0.915 360 F CB 1.974 40.984 39.000 0.017 0.000 1.208 360 F HN 0.430 nan 8.300 nan 0.000 0.453 361 E N 2.573 122.914 120.200 0.234 0.000 2.415 361 E HA -0.038 4.313 4.350 0.001 0.000 0.260 361 E C -0.594 176.057 176.600 0.085 0.000 1.016 361 E CA 0.410 56.885 56.400 0.126 0.000 0.924 361 E CB 0.132 29.884 29.700 0.087 0.000 0.961 361 E HN 0.518 nan 8.360 nan 0.000 0.459 362 D N 3.184 123.627 120.400 0.072 0.000 2.701 362 D HA -0.223 4.417 4.640 0.001 0.000 0.235 362 D C 0.902 177.204 176.300 0.002 0.000 1.155 362 D CA 1.120 55.141 54.000 0.035 0.000 0.649 362 D CB -1.156 39.651 40.800 0.013 0.000 1.050 362 D HN 1.007 nan 8.370 nan 0.000 0.425 363 G N 0.684 109.505 108.800 0.035 0.000 2.216 363 G HA2 -0.368 3.592 3.960 0.001 0.000 0.269 363 G HA3 -0.368 3.592 3.960 0.001 0.000 0.269 363 G C 0.128 174.852 174.900 -0.294 0.000 0.981 363 G CA 0.615 45.684 45.100 -0.051 0.000 0.658 363 G HN 0.565 nan 8.290 nan 0.000 0.539 364 D N 0.258 120.530 120.400 -0.213 0.000 2.342 364 D HA 0.226 4.867 4.640 0.001 0.000 0.260 364 D C 1.533 177.478 176.300 -0.592 0.000 1.278 364 D CA -0.520 53.289 54.000 -0.318 0.000 0.910 364 D CB 0.003 40.715 40.800 -0.147 0.000 1.079 364 D HN 0.353 nan 8.370 nan 0.000 0.496 365 H N 3.021 121.655 119.070 -0.726 0.000 2.566 365 H HA -0.067 4.490 4.556 0.001 0.000 0.285 365 H C 0.659 175.505 175.328 -0.804 0.000 1.041 365 H CA 0.736 55.979 56.048 -1.341 0.000 1.207 365 H CB 0.068 29.335 29.762 -0.826 0.000 1.353 365 H HN 0.587 nan 8.280 nan 0.000 0.604 366 N N 0.263 118.774 118.700 -0.316 0.000 2.205 366 N HA 0.025 4.765 4.740 0.001 0.000 0.201 366 N C -0.240 175.236 175.510 -0.058 0.000 1.128 366 N CA 0.008 52.982 53.050 -0.126 0.000 0.867 366 N CB 0.648 39.081 38.487 -0.090 0.000 0.996 366 N HN 0.118 nan 8.380 nan 0.000 0.503 367 K N 2.274 122.661 120.400 -0.023 0.000 2.499 367 K HA 0.260 4.581 4.320 0.001 0.000 0.215 367 K C -2.716 174.052 176.600 0.280 0.000 1.041 367 K CA -1.610 54.725 56.287 0.079 0.000 1.031 367 K CB 1.557 34.083 32.500 0.043 0.000 1.479 367 K HN -0.007 nan 8.250 nan 0.000 0.518 368 P HA -0.042 nan 4.420 nan 0.000 0.271 368 P C -0.720 176.691 177.300 0.185 0.000 1.226 368 P CA -0.028 63.269 63.100 0.328 0.000 0.765 368 P CB 0.792 32.640 31.700 0.248 0.000 0.835 369 D N 3.116 123.602 120.400 0.144 0.000 2.522 369 D HA 0.248 4.888 4.640 0.001 0.000 0.218 369 D C 1.346 177.691 176.300 0.075 0.000 1.149 369 D CA -0.340 53.718 54.000 0.098 0.000 0.981 369 D CB 0.331 41.185 40.800 0.089 0.000 1.041 369 D HN 0.274 nan 8.370 nan 0.000 0.518 370 A N 3.827 126.707 122.820 0.099 0.000 1.969 370 A HA -0.151 4.169 4.320 0.001 0.000 0.218 370 A C 2.054 179.661 177.584 0.038 0.000 1.169 370 A CA 1.074 53.174 52.037 0.104 0.000 0.635 370 A CB -0.000 19.097 19.000 0.163 0.000 0.810 370 A HN 0.419 nan 8.150 nan 0.000 0.445 371 K N -0.818 119.596 120.400 0.024 0.000 2.025 371 K HA -0.092 4.229 4.320 0.001 0.000 0.207 371 K C 1.918 178.502 176.600 -0.027 0.000 1.049 371 K CA 1.347 57.630 56.287 -0.007 0.000 0.933 371 K CB -0.375 32.124 32.500 -0.002 0.000 0.714 371 K HN 0.366 nan 8.250 nan 0.000 0.438 372 L N 1.501 122.713 121.223 -0.017 0.000 2.017 372 L HA -0.180 4.160 4.340 0.001 0.000 0.208 372 L C 2.002 178.814 176.870 -0.096 0.000 1.073 372 L CA 1.977 56.785 54.840 -0.054 0.000 0.745 372 L CB -0.928 41.124 42.059 -0.011 0.000 0.894 372 L HN 0.146 nan 8.230 nan 0.000 0.432 373 T N 0.108 114.632 114.554 -0.051 0.000 2.624 373 T HA -0.273 4.077 4.350 0.001 0.000 0.268 373 T C 1.881 176.533 174.700 -0.079 0.000 1.041 373 T CA 1.849 63.915 62.100 -0.057 0.000 1.159 373 T CB -0.698 68.163 68.868 -0.012 0.000 0.863 373 T HN 0.561 nan 8.240 nan 0.000 0.434 374 A N 0.940 123.723 122.820 -0.063 0.000 1.933 374 A HA -0.141 4.179 4.320 0.001 0.000 0.218 374 A C 2.210 179.739 177.584 -0.092 0.000 1.175 374 A CA 1.989 53.981 52.037 -0.075 0.000 0.628 374 A CB -0.620 18.338 19.000 -0.071 0.000 0.814 374 A HN 0.646 nan 8.150 nan 0.000 0.444 375 E N -0.351 119.787 120.200 -0.103 0.000 2.077 375 E HA -0.166 4.185 4.350 0.001 0.000 0.193 375 E C 1.828 178.332 176.600 -0.161 0.000 0.989 375 E CA 1.181 57.510 56.400 -0.118 0.000 0.800 375 E CB -0.121 29.508 29.700 -0.119 0.000 0.746 375 E HN 0.489 nan 8.360 nan 0.000 0.452 376 I N 0.957 121.388 120.570 -0.232 0.000 2.163 376 I HA -0.236 3.934 4.170 0.001 0.000 0.243 376 I C 2.521 178.539 176.117 -0.166 0.000 1.085 376 I CA 0.841 61.959 61.300 -0.303 0.000 1.347 376 I CB -1.222 36.508 38.000 -0.450 0.000 1.044 376 I HN 0.104 nan 8.210 nan 0.000 0.408 377 V N 1.469 121.319 119.914 -0.107 0.000 2.282 377 V HA -0.306 3.814 4.120 0.001 0.000 0.249 377 V C 2.819 178.916 176.094 0.004 0.000 1.057 377 V CA 2.052 64.333 62.300 -0.032 0.000 1.032 377 V CB -1.166 30.636 31.823 -0.035 0.000 0.645 377 V HN 0.490 nan 8.190 nan 0.000 0.447 378 A N -0.486 122.313 122.820 -0.034 0.000 1.930 378 A HA -0.190 4.131 4.320 0.001 0.000 0.217 378 A C 2.371 179.942 177.584 -0.022 0.000 1.175 378 A CA 1.641 53.669 52.037 -0.015 0.000 0.627 378 A CB -0.449 18.527 19.000 -0.040 0.000 0.815 378 A HN 0.511 nan 8.150 nan 0.000 0.443 379 R N -0.630 119.831 120.500 -0.064 0.000 2.090 379 R HA 0.000 4.341 4.340 0.001 0.000 0.228 379 R C 2.458 178.718 176.300 -0.066 0.000 1.110 379 R CA 1.034 57.090 56.100 -0.073 0.000 0.973 379 R CB -0.371 29.860 30.300 -0.116 0.000 0.869 379 R HN 0.505 nan 8.270 nan 0.000 0.440 380 A N 1.215 123.992 122.820 -0.071 0.000 1.898 380 A HA -0.154 4.167 4.320 0.001 0.000 0.216 380 A C 2.115 179.671 177.584 -0.046 0.000 1.181 380 A CA 0.988 52.979 52.037 -0.077 0.000 0.620 380 A CB -0.420 18.529 19.000 -0.086 0.000 0.819 380 A HN 0.093 nan 8.150 nan 0.000 0.442 381 R N 0.022 120.526 120.500 0.006 0.000 2.091 381 R HA -0.166 4.175 4.340 0.001 0.000 0.238 381 R C 1.195 177.531 176.300 0.059 0.000 1.136 381 R CA 1.940 58.070 56.100 0.051 0.000 0.959 381 R CB -0.647 29.732 30.300 0.131 0.000 0.856 381 R HN 0.458 nan 8.270 nan 0.000 0.437 382 D N 0.449 120.861 120.400 0.019 0.000 2.218 382 D HA -0.116 4.525 4.640 0.001 0.000 0.204 382 D C 1.207 177.480 176.300 -0.045 0.000 0.976 382 D CA 1.211 55.208 54.000 -0.005 0.000 0.853 382 D CB 0.049 40.838 40.800 -0.017 0.000 0.939 382 D HN 0.271 nan 8.370 nan 0.000 0.481 383 K N -0.754 119.609 120.400 -0.061 0.000 2.404 383 K HA 0.242 4.563 4.320 0.001 0.000 0.194 383 K C 0.877 177.399 176.600 -0.131 0.000 1.023 383 K CA 0.367 56.599 56.287 -0.092 0.000 1.094 383 K CB 0.885 33.332 32.500 -0.088 0.000 0.841 383 K HN 0.088 nan 8.250 nan 0.000 0.523 384 G N 1.756 110.480 108.800 -0.126 0.000 2.132 384 G HA2 -0.219 3.741 3.960 0.001 0.000 0.228 384 G HA3 -0.219 3.741 3.960 0.001 0.000 0.228 384 G C -0.585 174.264 174.900 -0.084 0.000 1.000 384 G CA -0.289 44.696 45.100 -0.191 0.000 0.693 384 G HN 0.184 nan 8.290 nan 0.000 0.515 385 L N 1.333 122.508 121.223 -0.080 0.000 2.333 385 L HA 0.755 5.095 4.340 0.001 0.000 0.280 385 L C -0.202 176.578 176.870 -0.150 0.000 1.004 385 L CA -1.426 53.311 54.840 -0.172 0.000 0.820 385 L CB 1.103 42.987 42.059 -0.292 0.000 1.247 385 L HN 0.052 nan 8.230 nan 0.000 0.416 386 I N 6.557 127.029 120.570 -0.164 0.000 2.325 386 I HA 0.358 4.529 4.170 0.001 0.000 0.291 386 I C -0.115 175.965 176.117 -0.063 0.000 1.019 386 I CA -0.136 61.008 61.300 -0.261 0.000 1.302 386 I CB 0.719 38.545 38.000 -0.290 0.000 1.401 386 I HN 0.557 nan 8.210 nan 0.000 0.485 387 L N 6.681 127.915 121.223 0.018 0.000 2.333 387 L HA 0.643 4.983 4.340 0.001 0.000 0.263 387 L C -0.671 176.301 176.870 0.171 0.000 1.014 387 L CA -0.812 54.094 54.840 0.111 0.000 0.820 387 L CB 2.889 44.988 42.059 0.067 0.000 1.352 387 L HN 0.322 nan 8.230 nan 0.000 0.421 388 L N 0.582 121.846 121.223 0.069 0.000 2.388 388 L HA 0.576 4.916 4.340 0.001 0.000 0.264 388 L C -0.230 176.604 176.870 -0.059 0.000 0.998 388 L CA -0.395 54.451 54.840 0.011 0.000 0.817 388 L CB 2.373 44.426 42.059 -0.010 0.000 1.338 388 L HN 0.727 nan 8.230 nan 0.000 0.414 389 S N 0.499 116.158 115.700 -0.069 0.000 2.739 389 S HA 0.889 5.360 4.470 0.001 0.000 0.306 389 S C -0.317 174.221 174.600 -0.103 0.000 1.115 389 S CA -0.429 57.717 58.200 -0.089 0.000 0.985 389 S CB 2.137 65.311 63.200 -0.043 0.000 1.133 389 S HN 0.954 nan 8.310 nan 0.000 0.541 390 C N -2.130 117.099 119.300 -0.119 0.000 3.260 390 C HA 0.964 5.425 4.460 0.001 0.000 0.366 390 C C 0.293 175.194 174.990 -0.148 0.000 1.537 390 C CA -0.055 58.889 59.018 -0.123 0.000 1.160 390 C CB 0.092 27.726 27.740 -0.177 0.000 1.760 390 C HN 2.657 nan 8.230 nan 0.000 0.432 391 G N 0.666 109.361 108.800 -0.175 0.000 2.675 391 G HA2 0.149 4.110 3.960 0.001 0.000 0.686 391 G HA3 0.149 4.110 3.960 0.001 0.000 0.686 391 G C -1.792 172.857 174.900 -0.418 0.000 1.215 391 G CA 0.011 44.983 45.100 -0.213 0.000 0.777 391 G HN 0.880 nan 8.290 nan 0.000 0.638 392 P HA -0.079 nan 4.420 nan 0.000 0.222 392 P C 0.771 177.342 177.300 -1.215 0.000 1.147 392 P CA 1.480 64.086 63.100 -0.823 0.000 0.790 392 P CB 0.004 31.229 31.700 -0.793 0.000 0.780 393 Y N -2.230 117.750 120.300 -0.533 0.000 2.555 393 Y HA 0.197 4.747 4.550 0.001 0.000 0.259 393 Y C 0.278 176.034 175.900 -0.241 0.000 1.179 393 Y CA -0.835 57.037 58.100 -0.379 0.000 1.230 393 Y CB -0.536 37.880 38.460 -0.074 0.000 1.146 393 Y HN -0.217 nan 8.280 nan 0.000 0.526 394 Y N 0.373 120.696 120.300 0.039 0.000 3.396 394 Y HA -0.338 4.213 4.550 0.001 0.000 0.214 394 Y C 0.598 176.498 175.900 -0.001 0.000 1.203 394 Y CA 0.608 58.704 58.100 -0.006 0.000 1.401 394 Y CB -2.280 36.172 38.460 -0.013 0.000 1.409 394 Y HN 0.478 nan 8.280 nan 0.000 0.594 395 N N -1.207 117.535 118.700 0.069 0.000 2.282 395 N HA 0.284 5.024 4.740 0.001 0.000 0.240 395 N C -0.760 174.709 175.510 -0.069 0.000 1.182 395 N CA 0.058 53.119 53.050 0.019 0.000 0.874 395 N CB 0.497 39.001 38.487 0.028 0.000 1.126 395 N HN 0.176 nan 8.380 nan 0.000 0.516 396 V N 1.529 121.390 119.914 -0.089 0.000 2.448 396 V HA 0.419 4.539 4.120 0.001 0.000 0.295 396 V C -0.128 175.863 176.094 -0.173 0.000 1.025 396 V CA -0.755 61.450 62.300 -0.158 0.000 0.859 396 V CB 2.193 33.877 31.823 -0.232 0.000 0.988 396 V HN 0.153 nan 8.190 nan 0.000 0.431 397 L N 6.490 127.621 121.223 -0.154 0.000 2.275 397 L HA 0.649 4.989 4.340 0.001 0.000 0.288 397 L C 0.362 177.085 176.870 -0.245 0.000 1.046 397 L CA -0.423 54.334 54.840 -0.139 0.000 0.805 397 L CB 1.192 43.231 42.059 -0.033 0.000 1.193 397 L HN 0.732 nan 8.230 nan 0.000 0.426 398 R N 3.742 124.041 120.500 -0.335 0.000 2.778 398 R HA 0.794 5.135 4.340 0.001 0.000 0.277 398 R C -1.141 175.030 176.300 -0.214 0.000 0.977 398 R CA -0.846 54.929 56.100 -0.540 0.000 0.950 398 R CB 1.886 31.484 30.300 -1.170 0.000 1.165 398 R HN 0.437 nan 8.270 nan 0.000 0.474 399 I N 2.903 123.400 120.570 -0.121 0.000 2.418 399 I HA 0.242 4.412 4.170 0.001 0.000 0.287 399 I C -0.150 175.955 176.117 -0.020 0.000 1.008 399 I CA -0.716 60.556 61.300 -0.047 0.000 1.104 399 I CB 1.875 39.827 38.000 -0.079 0.000 1.264 399 I HN 0.550 nan 8.210 nan 0.000 0.438 400 L N 7.302 128.500 121.223 -0.043 0.000 3.291 400 L HA 0.300 4.641 4.340 0.001 0.000 0.307 400 L C 0.016 176.833 176.870 -0.089 0.000 1.303 400 L CA -0.223 54.613 54.840 -0.008 0.000 0.949 400 L CB 1.193 43.291 42.059 0.066 0.000 1.375 400 L HN 0.376 nan 8.230 nan 0.000 0.596 401 V N 1.735 121.496 119.914 -0.255 0.000 2.843 401 V HA 0.204 4.324 4.120 0.001 0.000 0.305 401 V C -1.767 174.230 176.094 -0.162 0.000 1.065 401 V CA -1.054 61.080 62.300 -0.277 0.000 1.116 401 V CB 1.181 32.574 31.823 -0.717 0.000 0.968 401 V HN 0.114 nan 8.190 nan 0.000 0.487 402 P HA 0.025 nan 4.420 nan 0.000 0.264 402 P C 0.718 177.967 177.300 -0.085 0.000 1.179 402 P CA 0.415 63.473 63.100 -0.070 0.000 0.763 402 P CB 0.304 31.984 31.700 -0.032 0.000 0.806 403 L N 1.794 122.962 121.223 -0.091 0.000 2.456 403 L HA -0.087 4.253 4.340 0.001 0.000 0.224 403 L C 1.716 178.527 176.870 -0.097 0.000 1.148 403 L CA 1.437 56.216 54.840 -0.101 0.000 0.825 403 L CB -1.108 40.874 42.059 -0.128 0.000 0.937 403 L HN 0.464 nan 8.230 nan 0.000 0.450 404 T N -2.617 111.891 114.554 -0.078 0.000 3.272 404 T HA 0.164 4.515 4.350 0.001 0.000 0.250 404 T C 0.671 175.363 174.700 -0.014 0.000 1.082 404 T CA -0.306 61.769 62.100 -0.041 0.000 0.968 404 T CB -0.389 68.482 68.868 0.006 0.000 1.015 404 T HN 0.146 nan 8.240 nan 0.000 0.563 405 I N 1.940 122.497 120.570 -0.022 0.000 2.813 405 I HA 0.114 4.284 4.170 0.001 0.000 0.287 405 I C 0.140 176.262 176.117 0.008 0.000 1.196 405 I CA -0.313 60.988 61.300 0.002 0.000 1.421 405 I CB 0.721 38.714 38.000 -0.010 0.000 1.365 405 I HN 0.292 nan 8.210 nan 0.000 0.591 406 E N 5.651 125.866 120.200 0.024 0.000 2.319 406 E HA 0.056 4.407 4.350 0.001 0.000 0.268 406 E C 0.287 176.903 176.600 0.027 0.000 1.050 406 E CA -0.648 55.765 56.400 0.021 0.000 0.878 406 E CB 0.749 30.463 29.700 0.024 0.000 1.066 406 E HN 0.566 nan 8.360 nan 0.000 0.406 407 D N 1.842 122.255 120.400 0.021 0.000 2.116 407 D HA -0.244 4.397 4.640 0.001 0.000 0.193 407 D C 1.798 178.117 176.300 0.033 0.000 0.998 407 D CA 1.772 55.786 54.000 0.024 0.000 0.836 407 D CB -0.158 40.653 40.800 0.018 0.000 0.951 407 D HN 0.551 nan 8.370 nan 0.000 0.449 408 A N 1.004 123.841 122.820 0.029 0.000 1.940 408 A HA -0.254 4.067 4.320 0.001 0.000 0.219 408 A C 2.122 179.729 177.584 0.039 0.000 1.176 408 A CA 1.593 53.647 52.037 0.028 0.000 0.631 408 A CB -0.680 18.332 19.000 0.021 0.000 0.814 408 A HN 0.279 nan 8.150 nan 0.000 0.446 409 Q N -0.762 119.069 119.800 0.051 0.000 2.291 409 Q HA 0.003 4.343 4.340 0.001 0.000 0.205 409 Q C 1.875 177.958 176.000 0.140 0.000 0.970 409 Q CA 1.039 56.890 55.803 0.080 0.000 0.876 409 Q CB -0.238 28.555 28.738 0.091 0.000 0.935 409 Q HN 0.767 nan 8.270 nan 0.000 0.455 410 I N 0.314 120.955 120.570 0.119 0.000 2.252 410 I HA -0.264 3.906 4.170 0.001 0.000 0.245 410 I C 2.155 178.352 176.117 0.133 0.000 1.102 410 I CA 1.141 62.531 61.300 0.150 0.000 1.385 410 I CB -0.134 37.913 38.000 0.078 0.000 1.064 410 I HN 0.147 nan 8.210 nan 0.000 0.414 411 R N 0.442 120.989 120.500 0.077 0.000 2.066 411 R HA -0.201 4.139 4.340 0.001 0.000 0.232 411 R C 2.285 178.606 176.300 0.035 0.000 1.131 411 R CA 1.375 57.506 56.100 0.052 0.000 0.955 411 R CB -0.556 29.764 30.300 0.032 0.000 0.851 411 R HN 0.408 nan 8.270 nan 0.000 0.432 412 Q N 0.661 120.474 119.800 0.022 0.000 2.077 412 Q HA -0.179 4.162 4.340 0.001 0.000 0.206 412 Q C 2.043 178.004 176.000 -0.065 0.000 0.989 412 Q CA 2.080 57.870 55.803 -0.020 0.000 0.853 412 Q CB -0.351 28.370 28.738 -0.029 0.000 0.907 412 Q HN 0.442 nan 8.270 nan 0.000 0.418 413 G N 0.960 109.720 108.800 -0.065 0.000 2.421 413 G HA2 -0.221 3.739 3.960 0.001 0.000 0.216 413 G HA3 -0.221 3.739 3.960 0.001 0.000 0.216 413 G C 1.419 176.261 174.900 -0.097 0.000 1.171 413 G CA 0.861 45.808 45.100 -0.255 0.000 0.775 413 G HN 0.330 nan 8.290 nan 0.000 0.543 414 L N -0.048 121.206 121.223 0.051 0.000 2.017 414 L HA -0.066 4.275 4.340 0.001 0.000 0.208 414 L C 2.956 179.843 176.870 0.029 0.000 1.073 414 L CA 1.101 55.981 54.840 0.066 0.000 0.745 414 L CB -0.327 41.780 42.059 0.079 0.000 0.894 414 L HN 0.121 nan 8.230 nan 0.000 0.432 415 E N 0.460 120.667 120.200 0.012 0.000 2.058 415 E HA -0.213 4.138 4.350 0.001 0.000 0.194 415 E C 2.246 178.843 176.600 -0.006 0.000 0.997 415 E CA 1.421 57.825 56.400 0.007 0.000 0.801 415 E CB -0.195 29.504 29.700 -0.002 0.000 0.746 415 E HN 0.474 nan 8.360 nan 0.000 0.450 416 I N 0.560 121.102 120.570 -0.046 0.000 2.179 416 I HA -0.282 3.888 4.170 0.001 0.000 0.242 416 I C 2.478 178.572 176.117 -0.039 0.000 1.088 416 I CA 0.859 62.118 61.300 -0.067 0.000 1.357 416 I CB -0.240 37.678 38.000 -0.136 0.000 1.051 416 I HN 0.081 nan 8.210 nan 0.000 0.409 417 I N -0.163 120.394 120.570 -0.021 0.000 2.208 417 I HA -0.335 3.836 4.170 0.001 0.000 0.245 417 I C 2.773 178.991 176.117 0.167 0.000 1.097 417 I CA 1.462 62.799 61.300 0.061 0.000 1.363 417 I CB -0.336 37.727 38.000 0.104 0.000 1.051 417 I HN 0.234 nan 8.210 nan 0.000 0.413 418 S N 0.249 116.020 115.700 0.119 0.000 2.368 418 S HA -0.239 4.231 4.470 0.001 0.000 0.225 418 S C 1.974 176.652 174.600 0.129 0.000 1.030 418 S CA 1.514 59.794 58.200 0.134 0.000 0.999 418 S CB -0.120 63.129 63.200 0.081 0.000 0.844 418 S HN 0.457 nan 8.310 nan 0.000 0.459 419 Q N -0.399 119.441 119.800 0.067 0.000 2.119 419 Q HA -0.076 4.265 4.340 0.001 0.000 0.201 419 Q C 2.516 178.525 176.000 0.014 0.000 0.972 419 Q CA 1.544 57.372 55.803 0.042 0.000 0.847 419 Q CB -0.404 28.339 28.738 0.007 0.000 0.903 419 Q HN 0.611 nan 8.270 nan 0.000 0.433 420 C N -0.090 119.196 119.300 -0.023 0.000 2.413 420 C HA -0.140 4.320 4.460 0.001 0.000 0.277 420 C C 2.265 177.120 174.990 -0.226 0.000 1.265 420 C CA 0.633 59.571 59.018 -0.134 0.000 1.752 420 C CB -0.978 26.642 27.740 -0.200 0.000 1.998 420 C HN 0.435 nan 8.230 nan 0.000 0.489 421 F N 1.269 121.107 119.950 -0.188 0.000 2.128 421 F HA -0.085 4.443 4.527 0.001 0.000 0.295 421 F C 2.224 177.883 175.800 -0.235 0.000 1.100 421 F CA 1.766 59.533 58.000 -0.388 0.000 1.260 421 F CB -0.561 37.932 39.000 -0.844 0.000 1.009 421 F HN 0.175 nan 8.300 nan 0.000 0.476 422 D N 0.344 120.841 120.400 0.162 0.000 2.116 422 D HA -0.191 4.449 4.640 0.001 0.000 0.193 422 D C 1.942 178.328 176.300 0.143 0.000 0.998 422 D CA 1.537 55.702 54.000 0.275 0.000 0.836 422 D CB -0.574 40.346 40.800 0.200 0.000 0.951 422 D HN 0.389 nan 8.370 nan 0.000 0.449 423 E N 0.176 120.410 120.200 0.057 0.000 2.338 423 E HA -0.009 4.341 4.350 0.001 0.000 0.197 423 E C 1.779 178.377 176.600 -0.004 0.000 1.007 423 E CA 0.572 56.983 56.400 0.017 0.000 0.849 423 E CB 0.043 29.737 29.700 -0.011 0.000 0.774 423 E HN 0.198 nan 8.360 nan 0.000 0.506 424 A N 1.054 123.859 122.820 -0.026 0.000 2.169 424 A HA -0.072 4.248 4.320 0.001 0.000 0.212 424 A C 1.785 179.382 177.584 0.022 0.000 1.153 424 A CA 0.598 52.606 52.037 -0.048 0.000 0.756 424 A CB 0.051 18.961 19.000 -0.150 0.000 0.813 424 A HN 0.008 nan 8.150 nan 0.000 0.471 425 K N 0.233 120.683 120.400 0.083 0.000 1.980 425 K HA -0.070 4.250 4.320 0.001 0.000 0.208 425 K C 1.360 177.994 176.600 0.057 0.000 1.043 425 K CA 1.080 57.429 56.287 0.103 0.000 0.938 425 K CB -0.239 32.353 32.500 0.155 0.000 0.724 425 K HN 0.695 nan 8.250 nan 0.000 0.438 426 Q N 0.000 119.828 119.800 0.047 0.000 2.315 426 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 426 Q CA 0.000 55.820 55.803 0.028 0.000 1.022 426 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 426 Q HN 0.000 nan 8.270 nan 0.000 0.481