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 2obn_1_A DATA FIRST_RESID 6 DATA SEQUENCE NQRVAILLHE GTTGTIGKTG LALLRYSEAP IVAVIDRNCA GQSLREITGI DATA SEQUENCE YRYVPIVKSV EAALEYKPQV LVIGIAPKXG GIPDDYWIEL KTALQAGXSL DATA SEQUENCE VNGLHTPLAN IPDLNALLQP GQLIWDVRKE PANLDVASGA ARTLPCRRVL DATA SEQUENCE TVGTDXAIGK XSTSLELHWA AKLRGWRSKF LATGQTGVXL EGDGVALDAV DATA SEQUENCE RVDFAAGAVE QXVXRYGKNY DILHIEGQGS LLHPGSTATL PLIRGSQPTQ DATA SEQUENCE LVLVHRAGQT HNGNNPHVPI PPLPEVIRLY ETVASGGGAF GTVPVVGIAL DATA SEQUENCE NTAHLDEYAA KEAIAHTIAE TGLPCTDVVR FGADVLLDAV XQN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.519 175.510 0.014 0.000 1.280 6 N CA 0.000 53.058 53.050 0.013 0.000 0.885 6 N CB 0.000 38.493 38.487 0.010 0.000 1.341 7 Q N 1.407 121.218 119.800 0.018 0.000 2.222 7 Q HA 0.372 4.713 4.340 0.001 0.000 0.252 7 Q C -0.509 175.503 176.000 0.020 0.000 0.926 7 Q CA -0.306 55.509 55.803 0.020 0.000 0.899 7 Q CB 2.002 30.755 28.738 0.025 0.000 1.250 7 Q HN 0.249 nan 8.270 nan 0.000 0.441 8 R N 0.618 121.130 120.500 0.020 0.000 2.389 8 R HA 0.329 4.669 4.340 0.001 0.000 0.295 8 R C -0.389 175.918 176.300 0.013 0.000 1.075 8 R CA -0.230 55.880 56.100 0.017 0.000 1.005 8 R CB 0.554 30.869 30.300 0.026 0.000 0.987 8 R HN 0.244 nan 8.270 nan 0.000 0.452 9 V N 2.421 122.334 119.914 -0.001 0.000 2.483 9 V HA 0.548 4.669 4.120 0.001 0.000 0.295 9 V C -0.041 176.033 176.094 -0.033 0.000 1.035 9 V CA -0.754 61.540 62.300 -0.009 0.000 0.896 9 V CB 1.682 33.500 31.823 -0.010 0.000 0.986 9 V HN 0.893 nan 8.190 nan 0.000 0.447 10 A N 5.935 128.735 122.820 -0.034 0.000 2.331 10 A HA 0.864 5.185 4.320 0.001 0.000 0.320 10 A C -0.734 176.803 177.584 -0.078 0.000 1.138 10 A CA -0.547 51.454 52.037 -0.059 0.000 0.790 10 A CB 0.732 19.710 19.000 -0.037 0.000 1.206 10 A HN 0.767 nan 8.150 nan 0.000 0.470 11 I N 2.823 123.326 120.570 -0.111 0.000 2.330 11 I HA 0.196 4.367 4.170 0.001 0.000 0.289 11 I C -0.539 175.468 176.117 -0.183 0.000 1.001 11 I CA -0.758 60.466 61.300 -0.128 0.000 1.193 11 I CB 1.586 39.514 38.000 -0.120 0.000 1.345 11 I HN 0.565 nan 8.210 nan 0.000 0.461 12 L N 7.930 129.031 121.223 -0.203 0.000 2.456 12 L HA 0.140 4.480 4.340 0.001 0.000 0.277 12 L C -0.128 176.559 176.870 -0.305 0.000 1.124 12 L CA 0.517 55.174 54.840 -0.305 0.000 0.880 12 L CB 0.413 42.293 42.059 -0.298 0.000 1.192 12 L HN 0.569 nan 8.230 nan 0.000 0.463 13 L N 4.977 125.976 121.223 -0.374 0.000 3.393 13 L HA 0.319 4.659 4.340 0.001 0.000 0.319 13 L C -0.254 176.501 176.870 -0.191 0.000 1.309 13 L CA -0.233 54.466 54.840 -0.235 0.000 0.962 13 L CB -0.501 41.451 42.059 -0.178 0.000 1.391 13 L HN 0.540 nan 8.230 nan 0.000 0.607 14 H N 1.837 120.842 119.070 -0.108 0.000 3.187 14 H HA 0.048 4.604 4.556 0.001 0.000 0.286 14 H C 0.487 175.796 175.328 -0.030 0.000 0.944 14 H CA 1.152 57.159 56.048 -0.068 0.000 1.429 14 H CB 0.360 30.077 29.762 -0.075 0.000 1.483 14 H HN 0.383 nan 8.280 nan 0.000 0.555 15 E N 1.031 121.291 120.200 0.100 0.000 3.916 15 E HA -0.201 4.149 4.350 0.001 0.000 0.331 15 E C 1.257 177.874 176.600 0.028 0.000 0.729 15 E CA 0.842 57.278 56.400 0.059 0.000 1.222 15 E CB -1.297 28.445 29.700 0.071 0.000 1.633 15 E HN 0.826 nan 8.360 nan 0.000 0.437 16 G N -0.344 108.459 108.800 0.005 0.000 3.044 16 G HA2 0.042 4.002 3.960 0.001 0.000 0.223 16 G HA3 0.042 4.002 3.960 0.001 0.000 0.223 16 G C 1.198 176.079 174.900 -0.030 0.000 1.123 16 G CA 0.737 45.830 45.100 -0.012 0.000 0.765 16 G HN 0.185 nan 8.290 nan 0.000 0.546 17 T N 0.903 115.433 114.554 -0.040 0.000 2.777 17 T HA -0.101 4.249 4.350 0.001 0.000 0.266 17 T C 2.450 177.126 174.700 -0.039 0.000 1.040 17 T CA 2.033 64.103 62.100 -0.051 0.000 1.141 17 T CB -0.179 68.653 68.868 -0.060 0.000 0.868 17 T HN 0.476 nan 8.240 nan 0.000 0.444 18 T N -1.540 112.998 114.554 -0.026 0.000 3.043 18 T HA 0.472 4.822 4.350 0.001 0.000 0.272 18 T C 1.056 175.749 174.700 -0.011 0.000 0.990 18 T CA 0.031 62.119 62.100 -0.021 0.000 0.897 18 T CB 0.407 69.264 68.868 -0.018 0.000 1.111 18 T HN 0.317 nan 8.240 nan 0.000 0.529 19 G N 1.577 110.374 108.800 -0.005 0.000 2.630 19 G HA2 0.434 4.394 3.960 0.001 0.000 0.223 19 G HA3 0.434 4.394 3.960 0.001 0.000 0.223 19 G C 0.962 175.863 174.900 0.002 0.000 1.434 19 G CA 0.325 45.426 45.100 0.003 0.000 1.057 19 G HN 0.348 nan 8.290 nan 0.000 0.570 20 T N -2.230 112.330 114.554 0.009 0.000 2.971 20 T HA 0.086 4.436 4.350 0.001 0.000 0.252 20 T C 2.173 176.881 174.700 0.013 0.000 1.022 20 T CA 0.731 62.837 62.100 0.010 0.000 0.980 20 T CB -0.196 68.681 68.868 0.014 0.000 1.044 20 T HN 0.517 nan 8.240 nan 0.000 0.501 21 I N -0.794 119.787 120.570 0.019 0.000 3.428 21 I HA 0.454 4.624 4.170 0.001 0.000 0.286 21 I C 1.656 177.781 176.117 0.013 0.000 1.287 21 I CA 0.131 61.446 61.300 0.025 0.000 1.396 21 I CB -0.310 37.718 38.000 0.047 0.000 1.062 21 I HN 0.210 nan 8.210 nan 0.000 0.471 22 G N 0.885 109.684 108.800 -0.002 0.000 3.702 22 G HA2 0.265 4.226 3.960 0.001 0.000 0.288 22 G HA3 0.265 4.226 3.960 0.001 0.000 0.288 22 G C 1.365 176.252 174.900 -0.022 0.000 1.193 22 G CA 0.325 45.413 45.100 -0.020 0.000 0.952 22 G HN 0.391 nan 8.290 nan 0.000 0.544 23 K N -0.240 120.152 120.400 -0.012 0.000 2.103 23 K HA -0.110 4.210 4.320 0.001 0.000 0.207 23 K C 2.320 178.915 176.600 -0.008 0.000 1.048 23 K CA 2.163 58.446 56.287 -0.007 0.000 0.930 23 K CB -1.182 31.317 32.500 -0.001 0.000 0.716 23 K HN 0.309 nan 8.250 nan 0.000 0.444 24 T N -0.181 114.361 114.554 -0.020 0.000 2.674 24 T HA -0.025 4.325 4.350 0.001 0.000 0.265 24 T C 2.247 176.932 174.700 -0.025 0.000 1.039 24 T CA 1.374 63.459 62.100 -0.025 0.000 1.150 24 T CB -0.686 68.153 68.868 -0.049 0.000 0.864 24 T HN 0.666 nan 8.240 nan 0.000 0.427 25 G N 1.320 110.094 108.800 -0.043 0.000 2.440 25 G HA2 -0.145 3.816 3.960 0.001 0.000 0.218 25 G HA3 -0.145 3.816 3.960 0.001 0.000 0.218 25 G C 1.509 176.381 174.900 -0.047 0.000 1.154 25 G CA 0.560 45.627 45.100 -0.055 0.000 0.767 25 G HN 0.445 nan 8.290 nan 0.000 0.552 26 L N 0.569 121.767 121.223 -0.042 0.000 2.131 26 L HA -0.023 4.317 4.340 0.001 0.000 0.210 26 L C 3.340 180.193 176.870 -0.028 0.000 1.092 26 L CA 0.913 55.726 54.840 -0.045 0.000 0.759 26 L CB -0.307 41.727 42.059 -0.041 0.000 0.903 26 L HN 0.310 nan 8.230 nan 0.000 0.435 27 A N -0.045 122.786 122.820 0.019 0.000 1.929 27 A HA -0.081 4.240 4.320 0.001 0.000 0.216 27 A C 2.246 179.908 177.584 0.130 0.000 1.176 27 A CA 1.018 53.121 52.037 0.110 0.000 0.628 27 A CB -0.467 18.619 19.000 0.143 0.000 0.816 27 A HN 0.326 nan 8.150 nan 0.000 0.444 28 L N -0.669 120.589 121.223 0.059 0.000 2.027 28 L HA -0.162 4.178 4.340 0.001 0.000 0.206 28 L C 2.533 179.409 176.870 0.010 0.000 1.074 28 L CA 1.054 55.923 54.840 0.049 0.000 0.745 28 L CB -0.630 41.436 42.059 0.011 0.000 0.898 28 L HN 0.357 nan 8.230 nan 0.000 0.433 29 L N -0.436 120.765 121.223 -0.036 0.000 2.079 29 L HA -0.247 4.094 4.340 0.001 0.000 0.210 29 L C 2.817 179.627 176.870 -0.100 0.000 1.081 29 L CA 1.373 56.169 54.840 -0.072 0.000 0.752 29 L CB -0.469 41.534 42.059 -0.092 0.000 0.896 29 L HN 0.247 nan 8.230 nan 0.000 0.433 30 R N -1.382 119.027 120.500 -0.152 0.000 2.119 30 R HA -0.123 4.217 4.340 0.001 0.000 0.222 30 R C 1.522 177.549 176.300 -0.456 0.000 1.088 30 R CA 1.275 57.167 56.100 -0.347 0.000 0.984 30 R CB 0.169 30.165 30.300 -0.506 0.000 0.884 30 R HN 0.303 nan 8.270 nan 0.000 0.447 31 Y N -1.632 118.681 120.300 0.021 0.000 2.452 31 Y HA 0.282 4.832 4.550 0.001 0.000 0.262 31 Y C 0.547 176.463 175.900 0.027 0.000 1.089 31 Y CA -0.317 57.811 58.100 0.048 0.000 1.262 31 Y CB 0.454 38.959 38.460 0.075 0.000 1.236 31 Y HN -0.136 nan 8.280 nan 0.000 0.512 32 S N 1.421 117.204 115.700 0.139 0.000 2.533 32 S HA 0.279 4.749 4.470 0.001 0.000 0.282 32 S C 1.259 175.887 174.600 0.047 0.000 1.304 32 S CA 0.678 58.930 58.200 0.087 0.000 1.063 32 S CB 0.840 64.073 63.200 0.054 0.000 0.881 32 S HN 0.546 nan 8.310 nan 0.000 0.493 33 E N 3.105 123.331 120.200 0.042 0.000 2.481 33 E HA 0.366 4.716 4.350 0.001 0.000 0.195 33 E C 0.790 177.396 176.600 0.010 0.000 1.047 33 E CA 0.650 57.058 56.400 0.013 0.000 0.867 33 E CB -0.476 29.229 29.700 0.007 0.000 0.858 33 E HN 1.031 nan 8.360 nan 0.000 0.513 34 A N 1.958 124.790 122.820 0.019 0.000 2.407 34 A HA 0.492 4.813 4.320 0.001 0.000 0.248 34 A C -2.170 175.414 177.584 0.001 0.000 1.082 34 A CA -0.960 51.085 52.037 0.015 0.000 0.785 34 A CB 0.153 19.168 19.000 0.025 0.000 1.020 34 A HN 0.197 nan 8.150 nan 0.000 0.489 35 P HA 0.213 nan 4.420 nan 0.000 0.273 35 P C -0.825 176.463 177.300 -0.021 0.000 1.319 35 P CA 0.444 63.538 63.100 -0.009 0.000 0.885 35 P CB -0.079 31.622 31.700 0.001 0.000 1.015 36 I N 4.192 124.737 120.570 -0.042 0.000 2.337 36 I HA 0.023 4.193 4.170 0.001 0.000 0.291 36 I C 1.732 177.784 176.117 -0.109 0.000 1.046 36 I CA -0.393 60.865 61.300 -0.069 0.000 1.324 36 I CB 1.416 39.367 38.000 -0.082 0.000 1.409 36 I HN 0.159 nan 8.210 nan 0.000 0.494 37 V N 3.079 122.929 119.914 -0.106 0.000 3.644 37 V HA 0.591 4.711 4.120 0.001 0.000 0.267 37 V C 0.634 176.547 176.094 -0.303 0.000 1.277 37 V CA 0.277 62.483 62.300 -0.155 0.000 1.096 37 V CB -0.081 31.725 31.823 -0.029 0.000 0.828 37 V HN 0.712 nan 8.190 nan 0.000 0.446 38 A N -0.428 122.249 122.820 -0.238 0.000 2.555 38 A HA 0.737 5.057 4.320 0.001 0.000 0.297 38 A C -1.231 176.232 177.584 -0.200 0.000 1.060 38 A CA -0.350 51.526 52.037 -0.268 0.000 0.710 38 A CB 1.854 20.757 19.000 -0.162 0.000 1.282 38 A HN 0.323 nan 8.150 nan 0.000 0.399 39 V N 3.025 122.810 119.914 -0.216 0.000 2.417 39 V HA 0.441 4.562 4.120 0.001 0.000 0.291 39 V C -0.340 175.647 176.094 -0.179 0.000 1.024 39 V CA -0.199 61.988 62.300 -0.188 0.000 0.861 39 V CB 1.350 33.062 31.823 -0.185 0.000 0.985 39 V HN 0.682 nan 8.190 nan 0.000 0.436 40 I N 4.736 125.175 120.570 -0.218 0.000 2.307 40 I HA 0.522 4.692 4.170 0.001 0.000 0.289 40 I C -0.725 175.141 176.117 -0.419 0.000 1.021 40 I CA 0.083 61.218 61.300 -0.275 0.000 1.224 40 I CB 1.228 39.041 38.000 -0.312 0.000 1.376 40 I HN 0.557 nan 8.210 nan 0.000 0.470 41 D N 5.441 125.701 120.400 -0.233 0.000 2.548 41 D HA 0.209 4.850 4.640 0.001 0.000 0.214 41 D C 0.639 176.988 176.300 0.083 0.000 1.345 41 D CA -0.556 53.385 54.000 -0.098 0.000 0.945 41 D CB 1.363 42.109 40.800 -0.090 0.000 1.499 41 D HN 0.348 nan 8.370 nan 0.000 0.579 42 R N 1.846 122.510 120.500 0.273 0.000 2.091 42 R HA -0.106 4.234 4.340 0.001 0.000 0.238 42 R C 1.137 177.481 176.300 0.074 0.000 1.136 42 R CA 1.223 57.411 56.100 0.147 0.000 0.959 42 R CB -0.050 30.308 30.300 0.095 0.000 0.856 42 R HN 0.383 nan 8.270 nan 0.000 0.437 43 N N -0.302 118.440 118.700 0.070 0.000 2.443 43 N HA -0.091 4.649 4.740 0.001 0.000 0.184 43 N C 0.662 176.184 175.510 0.020 0.000 1.037 43 N CA 0.920 53.993 53.050 0.037 0.000 0.896 43 N CB 0.057 38.564 38.487 0.034 0.000 0.959 43 N HN 0.273 nan 8.380 nan 0.000 0.442 44 C N -0.231 119.078 119.300 0.014 0.000 3.365 44 C HA 0.555 5.015 4.460 0.001 0.000 0.266 44 C C 0.839 175.826 174.990 -0.004 0.000 1.631 44 C CA -1.528 57.489 59.018 -0.002 0.000 1.789 44 C CB -1.149 26.579 27.740 -0.020 0.000 3.088 44 C HN 0.299 nan 8.230 nan 0.000 0.547 45 A N 0.818 123.644 122.820 0.009 0.000 2.546 45 A HA 0.427 4.747 4.320 0.001 0.000 0.243 45 A C 1.515 179.109 177.584 0.016 0.000 1.063 45 A CA 1.468 53.513 52.037 0.012 0.000 0.757 45 A CB -0.510 18.508 19.000 0.030 0.000 0.991 45 A HN 1.766 nan 8.150 nan 0.000 0.503 46 G N 1.353 110.164 108.800 0.018 0.000 2.184 46 G HA2 -0.252 3.708 3.960 0.001 0.000 0.264 46 G HA3 -0.252 3.708 3.960 0.001 0.000 0.264 46 G C 0.275 175.192 174.900 0.028 0.000 0.975 46 G CA 0.773 45.892 45.100 0.032 0.000 0.642 46 G HN 0.978 nan 8.290 nan 0.000 0.536 47 Q N 0.197 120.003 119.800 0.011 0.000 2.256 47 Q HA 0.554 4.895 4.340 0.001 0.000 0.232 47 Q C 0.317 176.323 176.000 0.010 0.000 0.965 47 Q CA 0.070 55.878 55.803 0.008 0.000 0.908 47 Q CB 1.311 30.047 28.738 -0.004 0.000 1.209 47 Q HN 0.230 nan 8.270 nan 0.000 0.489 48 S N 0.877 116.586 115.700 0.014 0.000 2.474 48 S HA 0.040 4.510 4.470 0.001 0.000 0.276 48 S C 0.769 175.360 174.600 -0.015 0.000 1.227 48 S CA -0.515 57.700 58.200 0.025 0.000 1.050 48 S CB 0.328 63.543 63.200 0.025 0.000 0.939 48 S HN 0.584 nan 8.310 nan 0.000 0.490 49 L N 6.263 127.467 121.223 -0.032 0.000 2.079 49 L HA -0.003 4.337 4.340 0.001 0.000 0.210 49 L C 2.541 179.359 176.870 -0.086 0.000 1.081 49 L CA 1.758 56.553 54.840 -0.075 0.000 0.752 49 L CB -0.633 41.358 42.059 -0.114 0.000 0.896 49 L HN 0.701 nan 8.230 nan 0.000 0.433 50 R N 0.129 120.583 120.500 -0.076 0.000 2.066 50 R HA -0.148 4.193 4.340 0.001 0.000 0.232 50 R C 2.241 178.461 176.300 -0.134 0.000 1.131 50 R CA 1.885 57.897 56.100 -0.148 0.000 0.955 50 R CB -0.522 29.696 30.300 -0.136 0.000 0.851 50 R HN 0.575 nan 8.270 nan 0.000 0.432 51 E N 1.507 121.662 120.200 -0.075 0.000 2.110 51 E HA -0.124 4.226 4.350 0.001 0.000 0.193 51 E C 1.914 178.480 176.600 -0.057 0.000 0.988 51 E CA 1.606 57.971 56.400 -0.058 0.000 0.804 51 E CB -0.822 28.860 29.700 -0.029 0.000 0.745 51 E HN 0.717 nan 8.360 nan 0.000 0.458 52 I N -2.351 118.186 120.570 -0.056 0.000 3.603 52 I HA 0.184 4.355 4.170 0.001 0.000 0.297 52 I C 2.135 178.216 176.117 -0.060 0.000 1.269 52 I CA 1.723 62.994 61.300 -0.049 0.000 1.361 52 I CB 0.539 38.516 38.000 -0.039 0.000 1.063 52 I HN 0.272 nan 8.210 nan 0.000 0.448 53 T N -4.043 110.461 114.554 -0.084 0.000 2.992 53 T HA 0.453 4.804 4.350 0.001 0.000 0.255 53 T C 1.540 176.168 174.700 -0.121 0.000 0.938 53 T CA 0.659 62.704 62.100 -0.091 0.000 0.895 53 T CB 0.754 69.565 68.868 -0.095 0.000 1.221 53 T HN 0.509 nan 8.240 nan 0.000 0.512 54 G N 1.989 110.687 108.800 -0.171 0.000 2.284 54 G HA2 -0.197 3.764 3.960 0.001 0.000 0.230 54 G HA3 -0.197 3.764 3.960 0.001 0.000 0.230 54 G C 0.104 174.773 174.900 -0.385 0.000 1.021 54 G CA -0.072 44.875 45.100 -0.256 0.000 0.619 54 G HN 0.696 nan 8.290 nan 0.000 0.510 55 I N 1.162 121.577 120.570 -0.260 0.000 2.752 55 I HA 0.084 4.254 4.170 0.001 0.000 0.289 55 I C 1.656 177.623 176.117 -0.249 0.000 1.197 55 I CA -0.045 61.124 61.300 -0.218 0.000 1.432 55 I CB 0.382 38.296 38.000 -0.143 0.000 1.359 55 I HN 0.142 nan 8.210 nan 0.000 0.571 56 Y N 4.671 124.933 120.300 -0.063 0.000 2.420 56 Y HA -0.023 4.528 4.550 0.001 0.000 0.292 56 Y C 1.235 177.121 175.900 -0.024 0.000 1.119 56 Y CA 0.288 58.363 58.100 -0.041 0.000 1.229 56 Y CB -0.110 38.322 38.460 -0.047 0.000 1.026 56 Y HN 0.501 nan 8.280 nan 0.000 0.554 57 R N -0.162 120.389 120.500 0.086 0.000 2.590 57 R HA 0.051 4.391 4.340 0.001 0.000 0.274 57 R C -0.923 175.405 176.300 0.047 0.000 1.061 57 R CA -0.427 55.705 56.100 0.053 0.000 1.081 57 R CB -0.097 30.198 30.300 -0.008 0.000 0.984 57 R HN 0.133 nan 8.270 nan 0.000 0.448 58 Y N 3.016 123.302 120.300 -0.023 0.000 2.336 58 Y HA 0.426 4.977 4.550 0.001 0.000 0.335 58 Y C -1.076 174.780 175.900 -0.074 0.000 1.046 58 Y CA -0.550 57.524 58.100 -0.042 0.000 1.198 58 Y CB 0.933 39.374 38.460 -0.031 0.000 1.182 58 Y HN 0.390 nan 8.280 nan 0.000 0.502 59 V N 8.610 127.912 119.914 -1.020 0.000 2.777 59 V HA 0.353 4.473 4.120 0.001 0.000 0.306 59 V C -2.409 173.127 176.094 -0.931 0.000 1.112 59 V CA -1.807 59.964 62.300 -0.882 0.000 0.917 59 V CB 2.094 33.655 31.823 -0.437 0.000 1.018 59 V HN 0.729 nan 8.190 nan 0.000 0.426 60 P HA 0.386 nan 4.420 nan 0.000 0.275 60 P C -0.759 176.341 177.300 -0.334 0.000 1.227 60 P CA -0.010 62.791 63.100 -0.498 0.000 0.781 60 P CB 0.957 32.360 31.700 -0.496 0.000 0.906 61 I N 3.266 123.725 120.570 -0.184 0.000 2.312 61 I HA 0.245 4.415 4.170 0.001 0.000 0.290 61 I C 0.790 176.872 176.117 -0.058 0.000 1.008 61 I CA -0.902 60.322 61.300 -0.126 0.000 1.226 61 I CB 1.310 39.255 38.000 -0.092 0.000 1.371 61 I HN 0.145 nan 8.210 nan 0.000 0.468 62 V N 2.241 122.127 119.914 -0.046 0.000 2.994 62 V HA 0.651 4.771 4.120 0.001 0.000 0.318 62 V C 0.907 177.013 176.094 0.020 0.000 1.085 62 V CA -0.478 61.834 62.300 0.019 0.000 0.998 62 V CB 1.347 33.214 31.823 0.075 0.000 1.063 62 V HN 0.756 nan 8.190 nan 0.000 0.447 63 K N 0.989 121.421 120.400 0.053 0.000 2.155 63 K HA 0.296 4.617 4.320 0.001 0.000 0.203 63 K C 1.041 177.724 176.600 0.138 0.000 1.052 63 K CA 1.514 57.851 56.287 0.082 0.000 0.948 63 K CB -0.619 31.921 32.500 0.066 0.000 0.728 63 K HN 1.622 nan 8.250 nan 0.000 0.448 64 S N -3.216 112.543 115.700 0.099 0.000 2.643 64 S HA 0.403 4.874 4.470 0.001 0.000 0.270 64 S C 0.889 175.524 174.600 0.059 0.000 1.166 64 S CA -0.088 58.183 58.200 0.118 0.000 0.815 64 S CB 1.353 64.613 63.200 0.101 0.000 1.139 64 S HN 0.081 nan 8.310 nan 0.000 0.472 65 V N 1.288 121.234 119.914 0.054 0.000 2.287 65 V HA -0.167 3.953 4.120 0.001 0.000 0.248 65 V C 2.757 178.874 176.094 0.040 0.000 1.053 65 V CA 2.652 64.969 62.300 0.030 0.000 1.027 65 V CB -1.143 30.696 31.823 0.027 0.000 0.646 65 V HN 1.021 nan 8.190 nan 0.000 0.447 66 E N 0.232 120.458 120.200 0.044 0.000 2.085 66 E HA -0.233 4.117 4.350 0.001 0.000 0.194 66 E C 2.145 178.767 176.600 0.036 0.000 0.994 66 E CA 1.490 57.912 56.400 0.036 0.000 0.801 66 E CB -0.314 29.407 29.700 0.034 0.000 0.743 66 E HN 0.580 nan 8.360 nan 0.000 0.453 67 A N 0.495 123.344 122.820 0.047 0.000 2.067 67 A HA 0.029 4.350 4.320 0.001 0.000 0.219 67 A C 2.248 179.890 177.584 0.098 0.000 1.158 67 A CA 1.368 53.440 52.037 0.057 0.000 0.661 67 A CB -0.473 18.567 19.000 0.067 0.000 0.801 67 A HN 0.395 nan 8.150 nan 0.000 0.452 68 A N -0.189 122.693 122.820 0.103 0.000 2.016 68 A HA 0.119 4.439 4.320 0.001 0.000 0.217 68 A C 1.975 179.647 177.584 0.146 0.000 1.162 68 A CA 0.920 53.059 52.037 0.171 0.000 0.662 68 A CB -0.498 18.552 19.000 0.084 0.000 0.812 68 A HN 0.464 nan 8.150 nan 0.000 0.450 69 L N -0.386 120.872 121.223 0.060 0.000 2.129 69 L HA -0.271 4.069 4.340 0.001 0.000 0.212 69 L C 2.518 179.375 176.870 -0.021 0.000 1.087 69 L CA 1.899 56.754 54.840 0.025 0.000 0.757 69 L CB -0.596 41.469 42.059 0.010 0.000 0.896 69 L HN 0.612 nan 8.230 nan 0.000 0.434 70 E N 0.159 120.298 120.200 -0.102 0.000 2.171 70 E HA -0.253 4.098 4.350 0.001 0.000 0.197 70 E C 1.380 177.760 176.600 -0.366 0.000 0.997 70 E CA 1.500 57.734 56.400 -0.277 0.000 0.810 70 E CB -0.030 29.398 29.700 -0.453 0.000 0.738 70 E HN 0.580 nan 8.360 nan 0.000 0.467 71 Y N 0.383 120.683 120.300 0.000 0.000 2.470 71 Y HA 0.184 4.734 4.550 0.001 0.000 0.284 71 Y C 0.054 175.953 175.900 -0.002 0.000 1.188 71 Y CA -0.061 58.038 58.100 -0.001 0.000 1.269 71 Y CB 0.507 38.961 38.460 -0.010 0.000 1.094 71 Y HN -0.180 nan 8.280 nan 0.000 0.518 72 K N -0.469 119.979 120.400 0.081 0.000 3.257 72 K HA -0.168 4.152 4.320 0.001 0.000 0.270 72 K C -2.923 173.714 176.600 0.061 0.000 0.984 72 K CA 0.259 56.578 56.287 0.054 0.000 0.739 72 K CB -1.705 30.818 32.500 0.039 0.000 1.351 72 K HN 0.336 nan 8.250 nan 0.000 0.463 73 P HA 0.089 nan 4.420 nan 0.000 0.275 73 P C 0.284 177.604 177.300 0.033 0.000 1.227 73 P CA 0.023 63.150 63.100 0.046 0.000 0.781 73 P CB 0.750 32.474 31.700 0.040 0.000 0.906 74 Q N 0.464 120.281 119.800 0.028 0.000 2.392 74 Q HA 0.183 4.523 4.340 0.001 0.000 0.219 74 Q C -0.059 175.958 176.000 0.029 0.000 0.895 74 Q CA 0.457 56.276 55.803 0.027 0.000 0.929 74 Q CB 0.668 29.421 28.738 0.025 0.000 1.077 74 Q HN 0.264 nan 8.270 nan 0.000 0.532 75 V N 1.505 121.435 119.914 0.027 0.000 2.686 75 V HA 0.281 4.402 4.120 0.001 0.000 0.306 75 V C -1.255 174.849 176.094 0.017 0.000 1.065 75 V CA -0.889 61.431 62.300 0.033 0.000 0.894 75 V CB 2.056 33.907 31.823 0.047 0.000 1.004 75 V HN 0.075 nan 8.190 nan 0.000 0.424 76 L N 6.283 127.513 121.223 0.013 0.000 2.264 76 L HA 0.687 5.027 4.340 0.001 0.000 0.289 76 L C -0.486 176.372 176.870 -0.020 0.000 1.044 76 L CA 0.192 55.024 54.840 -0.014 0.000 0.807 76 L CB 1.466 43.513 42.059 -0.020 0.000 1.192 76 L HN 0.469 nan 8.230 nan 0.000 0.425 77 V N 6.754 126.643 119.914 -0.042 0.000 2.398 77 V HA 0.382 4.502 4.120 0.001 0.000 0.286 77 V C 0.359 176.396 176.094 -0.093 0.000 1.026 77 V CA -0.591 61.678 62.300 -0.053 0.000 0.868 77 V CB 1.611 33.409 31.823 -0.041 0.000 0.982 77 V HN 0.579 nan 8.190 nan 0.000 0.443 78 I N 4.400 124.909 120.570 -0.103 0.000 2.347 78 I HA 0.216 4.386 4.170 0.001 0.000 0.294 78 I C 1.392 177.442 176.117 -0.111 0.000 1.090 78 I CA 0.395 61.619 61.300 -0.127 0.000 1.314 78 I CB 0.760 38.698 38.000 -0.103 0.000 1.423 78 I HN 0.800 nan 8.210 nan 0.000 0.503 79 G N 7.466 116.195 108.800 -0.119 0.000 3.233 79 G HA2 0.318 4.279 3.960 0.001 0.000 0.234 79 G HA3 0.318 4.279 3.960 0.001 0.000 0.234 79 G C 0.478 175.335 174.900 -0.072 0.000 1.137 79 G CA -0.046 44.998 45.100 -0.093 0.000 0.763 79 G HN 0.640 nan 8.290 nan 0.000 0.549 80 I N -2.868 117.663 120.570 -0.064 0.000 2.846 80 I HA 0.886 5.057 4.170 0.001 0.000 0.307 80 I C -0.657 175.495 176.117 0.059 0.000 1.053 80 I CA -1.688 59.609 61.300 -0.004 0.000 1.050 80 I CB 2.666 40.669 38.000 0.006 0.000 1.239 80 I HN -0.083 nan 8.210 nan 0.000 0.439 81 A N 4.410 127.275 122.820 0.074 0.000 2.402 81 A HA 0.812 5.132 4.320 0.001 0.000 0.291 81 A C -2.823 174.804 177.584 0.072 0.000 1.051 81 A CA -1.296 50.786 52.037 0.075 0.000 0.716 81 A CB 1.044 20.057 19.000 0.022 0.000 1.223 81 A HN 0.624 nan 8.150 nan 0.000 0.425 82 P HA 0.492 nan 4.420 nan 0.000 0.274 82 P C 0.329 177.640 177.300 0.019 0.000 1.246 82 P CA -0.149 62.965 63.100 0.023 0.000 0.795 82 P CB 0.638 32.307 31.700 -0.052 0.000 1.006 86 G N -0.622 108.150 108.800 -0.047 0.000 2.992 86 G HA2 0.489 4.449 3.960 0.001 0.000 0.195 86 G HA3 0.489 4.449 3.960 0.001 0.000 0.195 86 G C 0.114 174.932 174.900 -0.137 0.000 2.032 86 G CA -0.331 44.743 45.100 -0.044 0.000 0.831 86 G HN 0.762 nan 8.290 nan 0.000 0.647 87 I N 2.644 123.126 120.570 -0.147 0.000 2.330 87 I HA 0.292 4.463 4.170 0.001 0.000 0.286 87 I C -2.370 173.530 176.117 -0.363 0.000 1.025 87 I CA -1.644 59.443 61.300 -0.354 0.000 1.197 87 I CB 1.937 39.737 38.000 -0.333 0.000 1.358 87 I HN 0.086 nan 8.210 nan 0.000 0.467 88 P HA 0.057 nan 4.420 nan 0.000 0.268 88 P C 0.075 177.281 177.300 -0.156 0.000 1.208 88 P CA -0.133 62.730 63.100 -0.396 0.000 0.777 88 P CB 0.743 32.118 31.700 -0.541 0.000 0.875 89 D N 0.603 121.042 120.400 0.066 0.000 2.178 89 D HA -0.161 4.479 4.640 0.001 0.000 0.201 89 D C 1.205 177.665 176.300 0.266 0.000 0.980 89 D CA 1.270 55.427 54.000 0.262 0.000 0.842 89 D CB -0.450 40.450 40.800 0.167 0.000 0.948 89 D HN 0.559 nan 8.370 nan 0.000 0.472 90 D N -0.503 119.995 120.400 0.164 0.000 2.378 90 D HA -0.174 4.466 4.640 0.001 0.000 0.227 90 D C 1.274 177.711 176.300 0.229 0.000 1.012 90 D CA 0.334 54.433 54.000 0.165 0.000 0.905 90 D CB -0.354 40.501 40.800 0.092 0.000 0.895 90 D HN 0.223 nan 8.370 nan 0.000 0.532 91 Y N -0.222 120.020 120.300 -0.097 0.000 2.365 91 Y HA 0.071 4.622 4.550 0.001 0.000 0.293 91 Y C 1.898 177.689 175.900 -0.182 0.000 1.119 91 Y CA -0.444 57.541 58.100 -0.192 0.000 1.203 91 Y CB -0.928 37.310 38.460 -0.369 0.000 1.026 91 Y HN 0.001 nan 8.280 nan 0.000 0.549 92 W N -0.389 121.018 121.300 0.179 0.000 2.321 92 W HA -0.237 4.424 4.660 0.000 0.000 0.306 92 W C 2.538 179.102 176.519 0.076 0.000 1.217 92 W CA 1.657 59.065 57.345 0.105 0.000 1.257 92 W CB -1.067 28.434 29.460 0.068 0.000 1.145 92 W HN -0.225 nan 8.180 nan 0.000 0.509 93 I N 0.027 120.756 120.570 0.265 0.000 2.226 93 I HA -0.233 3.938 4.170 0.001 0.000 0.245 93 I C 2.343 178.530 176.117 0.116 0.000 1.100 93 I CA 1.547 62.945 61.300 0.163 0.000 1.374 93 I CB -1.390 36.681 38.000 0.117 0.000 1.057 93 I HN 0.097 nan 8.210 nan 0.000 0.413 94 E N 0.487 120.742 120.200 0.091 0.000 2.077 94 E HA -0.188 4.163 4.350 0.001 0.000 0.193 94 E C 2.325 178.948 176.600 0.039 0.000 0.989 94 E CA 1.245 57.677 56.400 0.053 0.000 0.800 94 E CB -0.421 29.294 29.700 0.024 0.000 0.746 94 E HN 0.562 nan 8.360 nan 0.000 0.452 95 L N 0.747 121.998 121.223 0.046 0.000 2.005 95 L HA -0.169 4.171 4.340 0.001 0.000 0.207 95 L C 2.630 179.552 176.870 0.087 0.000 1.072 95 L CA 1.335 56.204 54.840 0.047 0.000 0.744 95 L CB -0.554 41.526 42.059 0.036 0.000 0.895 95 L HN -0.025 nan 8.230 nan 0.000 0.433 96 K N -0.665 119.813 120.400 0.131 0.000 2.057 96 K HA -0.130 4.190 4.320 0.001 0.000 0.207 96 K C 2.155 178.804 176.600 0.081 0.000 1.049 96 K CA 1.673 58.032 56.287 0.119 0.000 0.931 96 K CB -1.166 31.417 32.500 0.138 0.000 0.714 96 K HN 0.465 nan 8.250 nan 0.000 0.440 97 T N 0.743 115.341 114.554 0.074 0.000 2.788 97 T HA -0.120 4.231 4.350 0.001 0.000 0.268 97 T C 2.097 176.824 174.700 0.045 0.000 1.044 97 T CA 1.382 63.515 62.100 0.055 0.000 1.139 97 T CB -0.454 68.445 68.868 0.053 0.000 0.867 97 T HN 0.513 nan 8.240 nan 0.000 0.454 98 A N 0.995 123.841 122.820 0.043 0.000 1.897 98 A HA 0.105 4.426 4.320 0.001 0.000 0.215 98 A C 2.287 179.894 177.584 0.039 0.000 1.181 98 A CA 0.970 53.027 52.037 0.034 0.000 0.620 98 A CB -0.709 18.305 19.000 0.024 0.000 0.821 98 A HN 0.458 nan 8.150 nan 0.000 0.443 99 L N -0.899 120.353 121.223 0.048 0.000 2.056 99 L HA -0.214 4.126 4.340 0.001 0.000 0.207 99 L C 3.083 179.979 176.870 0.044 0.000 1.078 99 L CA 1.464 56.334 54.840 0.051 0.000 0.749 99 L CB -0.801 41.296 42.059 0.064 0.000 0.901 99 L HN 0.390 nan 8.230 nan 0.000 0.433 100 Q N -0.359 119.468 119.800 0.045 0.000 2.124 100 Q HA -0.084 4.257 4.340 0.001 0.000 0.202 100 Q C 2.163 178.182 176.000 0.031 0.000 0.977 100 Q CA 1.144 56.969 55.803 0.037 0.000 0.850 100 Q CB -0.651 28.110 28.738 0.038 0.000 0.901 100 Q HN 0.688 nan 8.270 nan 0.000 0.429 101 A N -0.274 122.565 122.820 0.031 0.000 2.261 101 A HA 0.496 4.816 4.320 0.001 0.000 0.208 101 A C 1.228 178.827 177.584 0.025 0.000 1.223 101 A CA 0.691 52.743 52.037 0.026 0.000 0.833 101 A CB -1.117 17.898 19.000 0.026 0.000 0.830 101 A HN 0.751 nan 8.150 nan 0.000 0.483 105 L N 1.672 122.942 121.223 0.078 0.000 2.341 105 L HA 0.715 5.055 4.340 0.001 0.000 0.278 105 L C -1.055 175.874 176.870 0.098 0.000 1.005 105 L CA -0.912 53.966 54.840 0.064 0.000 0.818 105 L CB 1.815 43.903 42.059 0.049 0.000 1.259 105 L HN 0.398 nan 8.230 nan 0.000 0.418 106 V N 2.328 122.278 119.914 0.061 0.000 2.293 106 V HA 0.255 4.375 4.120 0.001 0.000 0.275 106 V C -0.264 175.774 176.094 -0.093 0.000 1.021 106 V CA -0.572 61.750 62.300 0.037 0.000 0.815 106 V CB 1.328 33.196 31.823 0.076 0.000 1.025 106 V HN 0.675 nan 8.190 nan 0.000 0.448 107 N N 3.853 122.467 118.700 -0.142 0.000 2.457 107 N HA 0.415 5.155 4.740 0.001 0.000 0.250 107 N C 0.876 176.240 175.510 -0.243 0.000 0.982 107 N CA 0.055 53.014 53.050 -0.151 0.000 0.941 107 N CB 1.813 40.248 38.487 -0.087 0.000 1.120 107 N HN 0.609 nan 8.380 nan 0.000 0.505 108 G N 2.884 111.558 108.800 -0.209 0.000 3.126 108 G HA2 0.154 4.115 3.960 0.001 0.000 0.224 108 G HA3 0.154 4.115 3.960 0.001 0.000 0.224 108 G C 0.475 175.253 174.900 -0.203 0.000 1.142 108 G CA -0.155 44.804 45.100 -0.235 0.000 0.759 108 G HN 0.474 nan 8.290 nan 0.000 0.550 109 L N -0.348 120.790 121.223 -0.141 0.000 2.466 109 L HA 0.250 4.591 4.340 0.001 0.000 0.257 109 L C 1.667 178.465 176.870 -0.120 0.000 1.189 109 L CA -0.928 53.849 54.840 -0.105 0.000 0.813 109 L CB 0.574 42.613 42.059 -0.034 0.000 1.118 109 L HN 0.097 nan 8.230 nan 0.000 0.471 110 H N -0.241 118.806 119.070 -0.038 0.000 2.462 110 H HA -0.017 4.539 4.556 0.001 0.000 0.292 110 H C 0.190 175.507 175.328 -0.018 0.000 1.049 110 H CA 0.674 56.706 56.048 -0.028 0.000 1.334 110 H CB 0.136 29.886 29.762 -0.020 0.000 1.404 110 H HN 0.511 nan 8.280 nan 0.000 0.544 111 T N 5.076 119.690 114.554 0.100 0.000 2.761 111 T HA 0.137 4.487 4.350 0.001 0.000 0.296 111 T C -2.279 172.446 174.700 0.042 0.000 0.934 111 T CA -1.239 60.900 62.100 0.065 0.000 1.091 111 T CB 1.654 70.549 68.868 0.046 0.000 0.896 111 T HN 0.186 nan 8.240 nan 0.000 0.515 112 P HA 0.263 nan 4.420 nan 0.000 0.280 112 P C 0.046 177.386 177.300 0.067 0.000 1.244 112 P CA -0.363 62.766 63.100 0.048 0.000 0.784 112 P CB 1.088 32.822 31.700 0.058 0.000 0.913 113 L N 1.865 123.125 121.223 0.061 0.000 2.638 113 L HA 0.183 4.523 4.340 0.001 0.000 0.232 113 L C 2.267 179.198 176.870 0.101 0.000 1.099 113 L CA 0.377 55.270 54.840 0.089 0.000 0.883 113 L CB -0.335 41.757 42.059 0.055 0.000 1.136 113 L HN 0.306 nan 8.230 nan 0.000 0.492 114 A N 0.587 123.461 122.820 0.090 0.000 2.067 114 A HA -0.121 4.199 4.320 0.001 0.000 0.219 114 A C 1.335 178.969 177.584 0.084 0.000 1.158 114 A CA 1.403 53.496 52.037 0.092 0.000 0.661 114 A CB -0.504 18.555 19.000 0.100 0.000 0.801 114 A HN 0.492 nan 8.150 nan 0.000 0.452 115 N N -0.734 118.015 118.700 0.082 0.000 2.328 115 N HA 0.333 5.073 4.740 0.001 0.000 0.247 115 N C -0.788 174.767 175.510 0.075 0.000 1.165 115 N CA -0.106 52.986 53.050 0.070 0.000 0.873 115 N CB 0.591 39.114 38.487 0.060 0.000 1.125 115 N HN 0.363 nan 8.380 nan 0.000 0.513 116 I N 1.178 121.806 120.570 0.097 0.000 2.312 116 I HA 0.190 4.360 4.170 0.001 0.000 0.291 116 I C -1.378 174.788 176.117 0.081 0.000 1.031 116 I CA -2.105 59.257 61.300 0.104 0.000 1.293 116 I CB 1.526 39.634 38.000 0.179 0.000 1.403 116 I HN -0.112 nan 8.210 nan 0.000 0.484 117 P HA -0.218 nan 4.420 nan 0.000 0.217 117 P C 0.900 178.224 177.300 0.040 0.000 1.162 117 P CA 1.475 64.597 63.100 0.036 0.000 0.901 117 P CB 0.188 31.897 31.700 0.016 0.000 0.793 118 D N -1.130 119.290 120.400 0.033 0.000 2.123 118 D HA -0.115 4.525 4.640 0.001 0.000 0.196 118 D C 2.035 178.383 176.300 0.080 0.000 0.992 118 D CA 1.053 55.075 54.000 0.037 0.000 0.833 118 D CB -0.641 40.158 40.800 -0.001 0.000 0.954 118 D HN 0.208 nan 8.370 nan 0.000 0.455 119 L N 0.377 121.672 121.223 0.120 0.000 2.095 119 L HA -0.042 4.299 4.340 0.001 0.000 0.204 119 L C 2.288 179.214 176.870 0.093 0.000 1.080 119 L CA 0.668 55.588 54.840 0.133 0.000 0.759 119 L CB -0.489 41.675 42.059 0.175 0.000 0.914 119 L HN 0.048 nan 8.230 nan 0.000 0.439 120 N N 0.614 119.363 118.700 0.082 0.000 2.166 120 N HA -0.189 4.552 4.740 0.001 0.000 0.186 120 N C 1.860 177.401 175.510 0.051 0.000 1.019 120 N CA 1.229 54.317 53.050 0.064 0.000 0.856 120 N CB 0.176 38.698 38.487 0.058 0.000 0.993 120 N HN 0.310 nan 8.380 nan 0.000 0.426 121 A N 1.299 124.148 122.820 0.047 0.000 1.933 121 A HA -0.065 4.255 4.320 0.001 0.000 0.218 121 A C 2.126 179.733 177.584 0.039 0.000 1.175 121 A CA 0.839 52.898 52.037 0.038 0.000 0.628 121 A CB -0.510 18.509 19.000 0.032 0.000 0.814 121 A HN 0.325 nan 8.150 nan 0.000 0.444 122 L N -0.802 120.450 121.223 0.048 0.000 2.478 122 L HA 0.098 4.438 4.340 0.001 0.000 0.223 122 L C 0.622 177.520 176.870 0.046 0.000 1.140 122 L CA -0.387 54.482 54.840 0.048 0.000 0.842 122 L CB -0.471 41.624 42.059 0.059 0.000 0.953 122 L HN 0.313 nan 8.230 nan 0.000 0.452 123 L N 0.991 122.242 121.223 0.047 0.000 2.410 123 L HA 0.100 4.440 4.340 0.001 0.000 0.273 123 L C 0.207 177.098 176.870 0.035 0.000 1.152 123 L CA 0.583 55.450 54.840 0.044 0.000 0.855 123 L CB 0.536 42.624 42.059 0.048 0.000 1.129 123 L HN 0.114 nan 8.230 nan 0.000 0.463 124 Q N 5.393 125.212 119.800 0.032 0.000 2.215 124 Q HA 0.453 4.793 4.340 0.001 0.000 0.256 124 Q C -2.196 173.817 176.000 0.022 0.000 0.972 124 Q CA -1.955 53.863 55.803 0.025 0.000 0.889 124 Q CB 0.874 29.626 28.738 0.024 0.000 1.281 124 Q HN 0.498 nan 8.270 nan 0.000 0.456 125 P HA -0.029 nan 4.420 nan 0.000 0.264 125 P C 0.297 177.605 177.300 0.013 0.000 1.193 125 P CA 1.005 64.113 63.100 0.015 0.000 0.763 125 P CB 0.289 31.996 31.700 0.012 0.000 0.810 126 G N 0.886 109.693 108.800 0.011 0.000 2.176 126 G HA2 -0.178 3.782 3.960 0.001 0.000 0.253 126 G HA3 -0.178 3.782 3.960 0.001 0.000 0.253 126 G C -0.012 174.895 174.900 0.011 0.000 0.979 126 G CA -0.298 44.807 45.100 0.008 0.000 0.641 126 G HN 0.537 nan 8.290 nan 0.000 0.530 127 Q N -0.479 119.332 119.800 0.018 0.000 2.399 127 Q HA 0.829 5.169 4.340 0.001 0.000 0.276 127 Q C 0.303 176.322 176.000 0.032 0.000 1.098 127 Q CA -0.221 55.597 55.803 0.026 0.000 0.827 127 Q CB 2.314 31.071 28.738 0.032 0.000 1.386 127 Q HN 1.135 nan 8.270 nan 0.000 0.443 128 L N -2.252 118.998 121.223 0.045 0.000 2.403 128 L HA 0.775 5.115 4.340 0.001 0.000 0.253 128 L C -0.619 176.307 176.870 0.095 0.000 1.045 128 L CA -1.042 53.834 54.840 0.059 0.000 0.845 128 L CB 1.206 43.289 42.059 0.039 0.000 1.447 128 L HN 0.658 nan 8.230 nan 0.000 0.411 129 I N 1.044 121.683 120.570 0.114 0.000 2.382 129 I HA 0.406 4.577 4.170 0.001 0.000 0.285 129 I C -1.297 174.952 176.117 0.219 0.000 1.007 129 I CA -0.073 61.311 61.300 0.139 0.000 1.142 129 I CB 1.603 39.668 38.000 0.107 0.000 1.289 129 I HN 0.848 nan 8.210 nan 0.000 0.453 130 W N 7.505 128.813 121.300 0.014 0.000 2.314 130 W HA 0.389 5.049 4.660 0.000 0.000 0.310 130 W C -0.615 175.909 176.519 0.009 0.000 1.075 130 W CA -0.969 56.383 57.345 0.012 0.000 1.253 130 W CB 0.784 30.250 29.460 0.009 0.000 1.238 130 W HN 0.377 nan 8.180 nan 0.000 0.440 131 D N 5.645 126.108 120.400 0.105 0.000 2.441 131 D HA 0.052 4.692 4.640 0.001 0.000 0.221 131 D C 1.287 177.414 176.300 -0.289 0.000 1.156 131 D CA 0.066 54.010 54.000 -0.094 0.000 0.896 131 D CB 1.571 42.387 40.800 0.026 0.000 1.028 131 D HN 0.237 nan 8.370 nan 0.000 0.509 132 V N 2.958 122.481 119.914 -0.651 0.000 2.490 132 V HA -0.197 3.923 4.120 0.001 0.000 0.250 132 V C 2.096 178.024 176.094 -0.276 0.000 1.061 132 V CA 1.368 63.221 62.300 -0.746 0.000 1.064 132 V CB -0.283 31.015 31.823 -0.876 0.000 0.670 132 V HN 0.403 nan 8.190 nan 0.000 0.461 133 R N 0.170 120.544 120.500 -0.209 0.000 2.325 133 R HA 0.070 4.410 4.340 0.001 0.000 0.214 133 R C 0.905 177.194 176.300 -0.018 0.000 0.961 133 R CA -0.088 55.944 56.100 -0.113 0.000 1.086 133 R CB -0.079 30.124 30.300 -0.162 0.000 1.037 133 R HN 0.397 nan 8.270 nan 0.000 0.493 134 K N 2.131 122.536 120.400 0.009 0.000 2.416 134 K HA -0.045 4.276 4.320 0.001 0.000 0.283 134 K C -0.218 176.416 176.600 0.056 0.000 1.037 134 K CA 0.045 56.362 56.287 0.051 0.000 0.995 134 K CB 0.560 33.109 32.500 0.083 0.000 0.938 134 K HN 0.025 nan 8.250 nan 0.000 0.475 135 E N 5.390 125.622 120.200 0.054 0.000 2.415 135 E HA 0.067 4.418 4.350 0.001 0.000 0.263 135 E C -2.046 174.576 176.600 0.037 0.000 0.995 135 E CA -1.677 54.752 56.400 0.048 0.000 0.915 135 E CB 0.530 30.261 29.700 0.051 0.000 0.951 135 E HN 0.365 nan 8.360 nan 0.000 0.449 136 P HA 0.046 nan 4.420 nan 0.000 0.269 136 P C -1.149 176.142 177.300 -0.016 0.000 1.215 136 P CA -0.162 62.950 63.100 0.021 0.000 0.780 136 P CB 0.829 32.543 31.700 0.023 0.000 0.898 137 A N 2.275 125.085 122.820 -0.017 0.000 2.366 137 A HA 0.188 4.508 4.320 0.001 0.000 0.249 137 A C 0.585 178.125 177.584 -0.073 0.000 1.084 137 A CA -0.347 51.663 52.037 -0.044 0.000 0.794 137 A CB -0.529 18.456 19.000 -0.026 0.000 1.034 137 A HN 0.716 nan 8.150 nan 0.000 0.491 138 N N -0.756 117.881 118.700 -0.106 0.000 2.688 138 N HA -0.138 4.602 4.740 0.001 0.000 0.258 138 N C -0.731 174.694 175.510 -0.142 0.000 1.016 138 N CA 0.822 53.798 53.050 -0.124 0.000 0.747 138 N CB -1.070 37.372 38.487 -0.075 0.000 0.895 138 N HN 0.607 nan 8.380 nan 0.000 0.543 139 L N 0.128 121.209 121.223 -0.237 0.000 2.399 139 L HA 0.333 4.674 4.340 0.001 0.000 0.266 139 L C 0.915 177.648 176.870 -0.228 0.000 1.114 139 L CA -0.212 54.502 54.840 -0.210 0.000 0.804 139 L CB 0.743 42.674 42.059 -0.214 0.000 1.146 139 L HN 0.031 nan 8.230 nan 0.000 0.451 140 D N 0.329 120.722 120.400 -0.012 0.000 2.414 140 D HA 0.379 5.020 4.640 0.001 0.000 0.241 140 D C -0.677 175.790 176.300 0.279 0.000 1.008 140 D CA -0.396 53.671 54.000 0.112 0.000 1.001 140 D CB 2.417 43.255 40.800 0.064 0.000 1.277 140 D HN 0.011 nan 8.370 nan 0.000 0.538 141 V N 1.116 121.190 119.914 0.266 0.000 2.530 141 V HA 0.372 4.492 4.120 0.001 0.000 0.282 141 V C 0.744 176.900 176.094 0.103 0.000 1.048 141 V CA -0.553 61.852 62.300 0.174 0.000 0.997 141 V CB 0.903 32.781 31.823 0.090 0.000 0.987 141 V HN 0.672 nan 8.190 nan 0.000 0.477 142 A N 4.195 127.060 122.820 0.075 0.000 2.466 142 A HA 0.450 4.771 4.320 0.001 0.000 0.238 142 A C 0.925 178.537 177.584 0.047 0.000 1.074 142 A CA 0.442 52.508 52.037 0.049 0.000 0.774 142 A CB 0.247 19.262 19.000 0.026 0.000 1.015 142 A HN 1.333 nan 8.150 nan 0.000 0.498 143 S N -0.148 115.579 115.700 0.044 0.000 3.031 143 S HA 0.455 4.926 4.470 0.001 0.000 0.253 143 S C 0.913 175.550 174.600 0.062 0.000 0.996 143 S CA 0.661 58.893 58.200 0.054 0.000 1.098 143 S CB -0.177 63.050 63.200 0.044 0.000 1.042 143 S HN 2.608 nan 8.310 nan 0.000 0.593 144 G N 1.113 109.945 108.800 0.053 0.000 2.198 144 G HA2 -0.231 3.729 3.960 0.001 0.000 0.260 144 G HA3 -0.231 3.729 3.960 0.001 0.000 0.260 144 G C 0.990 175.914 174.900 0.041 0.000 1.025 144 G CA 0.099 45.233 45.100 0.056 0.000 0.769 144 G HN 1.283 nan 8.290 nan 0.000 0.507 145 A N -0.271 122.564 122.820 0.026 0.000 2.015 145 A HA 0.400 4.720 4.320 0.001 0.000 0.219 145 A C 2.773 180.364 177.584 0.012 0.000 1.163 145 A CA 2.092 54.140 52.037 0.019 0.000 0.646 145 A CB -0.591 18.418 19.000 0.014 0.000 0.806 145 A HN 1.840 nan 8.150 nan 0.000 0.448 146 A N 0.947 123.769 122.820 0.003 0.000 2.076 146 A HA -0.187 4.133 4.320 0.001 0.000 0.220 146 A C 2.157 179.742 177.584 0.001 0.000 1.160 146 A CA 1.538 53.573 52.037 -0.003 0.000 0.653 146 A CB -0.594 18.395 19.000 -0.018 0.000 0.801 146 A HN 0.743 nan 8.150 nan 0.000 0.455 147 R N 0.127 120.633 120.500 0.010 0.000 2.193 147 R HA -0.118 4.223 4.340 0.001 0.000 0.229 147 R C 1.619 177.929 176.300 0.016 0.000 1.110 147 R CA 1.956 58.067 56.100 0.019 0.000 0.988 147 R CB -1.305 29.021 30.300 0.044 0.000 0.871 147 R HN 0.482 nan 8.270 nan 0.000 0.458 148 T N -1.022 113.540 114.554 0.014 0.000 3.113 148 T HA 0.185 4.536 4.350 0.001 0.000 0.256 148 T C 0.938 175.642 174.700 0.007 0.000 1.131 148 T CA -0.091 62.016 62.100 0.011 0.000 1.074 148 T CB -0.129 68.745 68.868 0.011 0.000 0.944 148 T HN 0.092 nan 8.240 nan 0.000 0.516 149 L N 2.722 123.949 121.223 0.006 0.000 2.397 149 L HA 0.281 4.622 4.340 0.001 0.000 0.271 149 L C -0.790 176.082 176.870 0.003 0.000 1.148 149 L CA -1.858 52.986 54.840 0.008 0.000 0.825 149 L CB 0.725 42.791 42.059 0.013 0.000 1.117 149 L HN 0.007 nan 8.230 nan 0.000 0.456 150 P HA -0.023 nan 4.420 nan 0.000 0.236 150 P C 0.306 177.600 177.300 -0.009 0.000 1.177 150 P CA 0.084 63.181 63.100 -0.004 0.000 0.773 150 P CB -0.095 31.602 31.700 -0.003 0.000 0.878 151 C N -0.009 119.292 119.300 0.002 0.000 2.500 151 C HA 0.509 4.970 4.460 0.001 0.000 0.367 151 C C 0.910 175.882 174.990 -0.029 0.000 1.283 151 C CA -1.403 57.613 59.018 -0.003 0.000 2.456 151 C CB 0.135 27.895 27.740 0.035 0.000 2.457 151 C HN 0.053 nan 8.230 nan 0.000 0.632 152 R N 0.753 121.222 120.500 -0.051 0.000 2.441 152 R HA 0.433 4.773 4.340 0.001 0.000 0.284 152 R C -0.226 176.018 176.300 -0.093 0.000 1.070 152 R CA 0.031 56.087 56.100 -0.073 0.000 1.047 152 R CB 0.597 30.842 30.300 -0.092 0.000 1.016 152 R HN 0.722 nan 8.270 nan 0.000 0.477 153 R N 1.916 122.361 120.500 -0.091 0.000 2.412 153 R HA 0.270 4.610 4.340 0.001 0.000 0.304 153 R C -1.141 175.093 176.300 -0.110 0.000 1.066 153 R CA -0.517 55.520 56.100 -0.106 0.000 0.923 153 R CB 1.725 31.980 30.300 -0.074 0.000 1.156 153 R HN 0.247 nan 8.270 nan 0.000 0.513 154 V N 4.811 124.634 119.914 -0.152 0.000 2.370 154 V HA 0.308 4.428 4.120 0.001 0.000 0.279 154 V C -0.437 175.605 176.094 -0.086 0.000 1.029 154 V CA -0.767 61.467 62.300 -0.109 0.000 0.870 154 V CB 1.389 33.146 31.823 -0.109 0.000 0.984 154 V HN 0.466 nan 8.190 nan 0.000 0.451 155 L N 5.963 127.143 121.223 -0.072 0.000 2.322 155 L HA 0.691 5.031 4.340 0.001 0.000 0.281 155 L C 0.550 177.375 176.870 -0.075 0.000 1.014 155 L CA 0.206 55.000 54.840 -0.076 0.000 0.815 155 L CB 2.069 44.080 42.059 -0.080 0.000 1.247 155 L HN 0.807 nan 8.230 nan 0.000 0.421 156 T N 2.913 117.426 114.554 -0.068 0.000 2.869 156 T HA 0.636 4.986 4.350 0.001 0.000 0.295 156 T C 0.045 174.670 174.700 -0.125 0.000 0.987 156 T CA -0.382 61.671 62.100 -0.078 0.000 1.109 156 T CB 1.017 69.859 68.868 -0.043 0.000 0.932 156 T HN 0.684 nan 8.240 nan 0.000 0.518 157 V N -0.476 119.313 119.914 -0.207 0.000 3.126 157 V HA 1.072 5.192 4.120 0.001 0.000 0.314 157 V C 0.062 176.003 176.094 -0.255 0.000 1.138 157 V CA -0.755 61.343 62.300 -0.337 0.000 1.034 157 V CB 1.648 32.970 31.823 -0.834 0.000 1.075 157 V HN 1.323 nan 8.190 nan 0.000 0.442 158 G N -0.267 108.439 108.800 -0.156 0.000 2.684 158 G HA2 0.542 4.502 3.960 0.001 0.000 0.290 158 G HA3 0.542 4.502 3.960 0.001 0.000 0.290 158 G C 0.210 175.207 174.900 0.162 0.000 1.425 158 G CA 0.170 45.277 45.100 0.011 0.000 0.822 158 G HN 1.389 nan 8.290 nan 0.000 0.482 159 T N -2.749 111.916 114.554 0.184 0.000 3.100 159 T HA 0.268 4.618 4.350 0.001 0.000 0.253 159 T C 0.329 175.134 174.700 0.175 0.000 1.118 159 T CA 1.123 63.354 62.100 0.218 0.000 1.058 159 T CB 0.201 69.262 68.868 0.321 0.000 0.953 159 T HN 0.488 nan 8.240 nan 0.000 0.515 163 I N -4.598 115.984 120.570 0.020 0.000 4.240 163 I HA 0.634 4.804 4.170 0.001 0.000 0.331 163 I C 0.985 177.117 176.117 0.024 0.000 1.381 163 I CA 0.280 61.589 61.300 0.014 0.000 1.136 163 I CB 1.161 39.166 38.000 0.009 0.000 1.137 163 I HN 0.909 nan 8.210 nan 0.000 0.411 164 G N 1.970 110.787 108.800 0.029 0.000 2.145 164 G HA2 -0.168 3.792 3.960 0.001 0.000 0.145 164 G HA3 -0.168 3.792 3.960 0.001 0.000 0.145 164 G C 0.065 174.972 174.900 0.012 0.000 1.017 164 G CA -0.410 44.710 45.100 0.033 0.000 0.682 164 G HN 0.359 nan 8.290 nan 0.000 0.504 168 T N 2.693 117.197 114.554 -0.084 0.000 2.674 168 T HA -0.064 4.286 4.350 0.001 0.000 0.265 168 T C 1.889 176.528 174.700 -0.102 0.000 1.039 168 T CA 2.046 64.110 62.100 -0.060 0.000 1.150 168 T CB -0.410 68.449 68.868 -0.014 0.000 0.864 168 T HN 0.342 nan 8.240 nan 0.000 0.427 169 S N 1.283 116.936 115.700 -0.079 0.000 2.370 169 S HA -0.030 4.440 4.470 0.001 0.000 0.226 169 S C 2.041 176.495 174.600 -0.243 0.000 1.033 169 S CA 0.981 59.166 58.200 -0.024 0.000 1.011 169 S CB -0.535 62.752 63.200 0.145 0.000 0.852 169 S HN 0.339 nan 8.310 nan 0.000 0.457 170 L N 1.256 122.150 121.223 -0.548 0.000 2.017 170 L HA -0.111 4.230 4.340 0.001 0.000 0.208 170 L C 2.700 178.809 176.870 -1.268 0.000 1.073 170 L CA 1.120 55.221 54.840 -1.232 0.000 0.745 170 L CB -0.524 40.511 42.059 -1.705 0.000 0.894 170 L HN 0.241 nan 8.230 nan 0.000 0.432 171 E N 0.192 119.995 120.200 -0.662 0.000 2.110 171 E HA -0.178 4.172 4.350 0.001 0.000 0.193 171 E C 2.350 178.865 176.600 -0.142 0.000 0.988 171 E CA 1.098 57.377 56.400 -0.201 0.000 0.804 171 E CB -0.204 29.487 29.700 -0.015 0.000 0.745 171 E HN 0.498 nan 8.360 nan 0.000 0.458 172 L N 0.192 121.301 121.223 -0.190 0.000 2.056 172 L HA -0.193 4.148 4.340 0.001 0.000 0.207 172 L C 2.660 179.325 176.870 -0.341 0.000 1.078 172 L CA 1.263 56.031 54.840 -0.121 0.000 0.749 172 L CB -0.518 41.557 42.059 0.028 0.000 0.901 172 L HN 0.182 nan 8.230 nan 0.000 0.433 173 H N -0.612 117.955 119.070 -0.840 0.000 2.321 173 H HA -0.224 4.332 4.556 0.001 0.000 0.300 173 H C 1.935 177.127 175.328 -0.227 0.000 1.087 173 H CA 1.925 57.479 56.048 -0.823 0.000 1.319 173 H CB -0.133 29.198 29.762 -0.717 0.000 1.379 173 H HN 0.216 nan 8.280 nan 0.000 0.501 174 W N 0.557 121.649 121.300 -0.347 0.000 2.402 174 W HA 0.061 4.721 4.660 0.001 0.000 0.286 174 W C 2.730 179.110 176.519 -0.233 0.000 1.221 174 W CA 1.192 58.347 57.345 -0.317 0.000 1.257 174 W CB -1.220 28.135 29.460 -0.175 0.000 1.120 174 W HN 0.435 nan 8.180 nan 0.000 0.551 175 A N 0.514 123.355 122.820 0.036 0.000 1.930 175 A HA 0.056 4.376 4.320 0.001 0.000 0.217 175 A C 2.270 179.801 177.584 -0.088 0.000 1.175 175 A CA 2.403 54.431 52.037 -0.015 0.000 0.627 175 A CB -0.980 18.028 19.000 0.013 0.000 0.815 175 A HN 0.098 nan 8.150 nan 0.000 0.443 176 A N -0.131 122.668 122.820 -0.035 0.000 1.877 176 A HA -0.146 4.174 4.320 0.001 0.000 0.216 176 A C 2.127 179.664 177.584 -0.077 0.000 1.186 176 A CA 1.745 53.806 52.037 0.040 0.000 0.620 176 A CB -0.444 18.772 19.000 0.359 0.000 0.822 176 A HN 0.482 nan 8.150 nan 0.000 0.443 177 K N -0.960 119.381 120.400 -0.099 0.000 2.063 177 K HA -0.152 4.168 4.320 0.001 0.000 0.208 177 K C 1.926 178.455 176.600 -0.117 0.000 1.048 177 K CA 1.446 57.681 56.287 -0.087 0.000 0.928 177 K CB -0.398 32.019 32.500 -0.138 0.000 0.713 177 K HN 0.400 nan 8.250 nan 0.000 0.442 178 L N 1.655 122.794 121.223 -0.140 0.000 2.042 178 L HA -0.177 4.163 4.340 0.001 0.000 0.210 178 L C 1.881 178.615 176.870 -0.227 0.000 1.076 178 L CA 1.694 56.444 54.840 -0.149 0.000 0.749 178 L CB -0.220 41.765 42.059 -0.124 0.000 0.893 178 L HN 0.044 nan 8.230 nan 0.000 0.432 179 R N -0.040 120.226 120.500 -0.391 0.000 2.316 179 R HA 0.115 4.455 4.340 0.001 0.000 0.202 179 R C 1.352 177.271 176.300 -0.635 0.000 1.029 179 R CA 0.800 56.517 56.100 -0.639 0.000 1.018 179 R CB -0.601 28.974 30.300 -1.208 0.000 0.888 179 R HN 0.628 nan 8.270 nan 0.000 0.471 180 G N -0.099 108.484 108.800 -0.363 0.000 2.157 180 G HA2 -0.170 3.790 3.960 0.001 0.000 0.239 180 G HA3 -0.170 3.790 3.960 0.001 0.000 0.239 180 G C -0.283 174.670 174.900 0.088 0.000 0.982 180 G CA -0.281 44.746 45.100 -0.121 0.000 0.650 180 G HN 0.125 nan 8.290 nan 0.000 0.527 181 W N 0.850 122.190 121.300 0.067 0.000 2.303 181 W HA 0.645 5.306 4.660 0.001 0.000 0.334 181 W C 0.900 177.499 176.519 0.133 0.000 1.197 181 W CA -1.476 55.923 57.345 0.091 0.000 1.262 181 W CB 0.299 29.819 29.460 0.099 0.000 1.153 181 W HN 0.006 nan 8.180 nan 0.000 0.596 182 R N 1.890 122.626 120.500 0.392 0.000 2.309 182 R HA 0.260 4.601 4.340 0.001 0.000 0.331 182 R C 0.130 176.740 176.300 0.517 0.000 1.116 182 R CA 0.012 56.328 56.100 0.360 0.000 0.970 182 R CB 0.612 31.020 30.300 0.181 0.000 1.024 182 R HN 0.205 nan 8.270 nan 0.000 0.472 183 S N 2.342 118.378 115.700 0.560 0.000 2.536 183 S HA 0.539 5.010 4.470 0.001 0.000 0.298 183 S C -1.075 173.771 174.600 0.409 0.000 1.083 183 S CA -0.843 57.676 58.200 0.532 0.000 0.995 183 S CB 1.286 64.812 63.200 0.543 0.000 1.058 183 S HN 0.468 nan 8.310 nan 0.000 0.488 184 K N 2.878 123.318 120.400 0.066 0.000 2.482 184 K HA 0.539 4.859 4.320 0.001 0.000 0.251 184 K C -1.783 174.613 176.600 -0.340 0.000 0.936 184 K CA -0.663 55.366 56.287 -0.429 0.000 0.791 184 K CB 1.043 32.867 32.500 -1.125 0.000 1.213 184 K HN 0.518 nan 8.250 nan 0.000 0.428 185 F N 5.467 124.968 119.950 -0.749 0.000 2.404 185 F HA 0.557 5.084 4.527 0.001 0.000 0.339 185 F C -1.281 174.272 175.800 -0.412 0.000 1.105 185 F CA -0.689 56.961 58.000 -0.583 0.000 1.087 185 F CB 0.706 39.252 39.000 -0.757 0.000 1.143 185 F HN 0.374 nan 8.300 nan 0.000 0.491 186 L N 6.907 127.456 121.223 -1.123 0.000 2.316 186 L HA 0.558 4.899 4.340 0.001 0.000 0.280 186 L C -0.135 176.110 176.870 -1.041 0.000 1.006 186 L CA -1.033 53.310 54.840 -0.829 0.000 0.836 186 L CB 1.342 43.120 42.059 -0.469 0.000 1.221 186 L HN 0.830 nan 8.230 nan 0.000 0.418 187 A N 1.627 124.041 122.820 -0.677 0.000 2.401 187 A HA 0.489 4.809 4.320 0.001 0.000 0.259 187 A C 0.875 178.338 177.584 -0.202 0.000 1.103 187 A CA 0.047 51.886 52.037 -0.331 0.000 0.789 187 A CB 0.305 19.311 19.000 0.011 0.000 1.035 187 A HN 0.811 nan 8.150 nan 0.000 0.491 188 T N -0.621 113.845 114.554 -0.147 0.000 3.170 188 T HA 0.540 4.890 4.350 0.001 0.000 0.288 188 T C 0.462 175.128 174.700 -0.057 0.000 0.992 188 T CA 0.365 62.407 62.100 -0.097 0.000 0.909 188 T CB -0.092 68.709 68.868 -0.112 0.000 1.133 188 T HN 1.439 nan 8.240 nan 0.000 0.530 189 G N 0.830 109.603 108.800 -0.045 0.000 2.684 189 G HA2 0.466 4.426 3.960 0.001 0.000 0.290 189 G HA3 0.466 4.426 3.960 0.001 0.000 0.290 189 G C 0.346 175.211 174.900 -0.058 0.000 1.425 189 G CA -0.368 44.703 45.100 -0.049 0.000 0.822 189 G HN 0.173 nan 8.290 nan 0.000 0.482 190 Q N -0.792 118.949 119.800 -0.098 0.000 2.112 190 Q HA -0.148 4.192 4.340 0.001 0.000 0.206 190 Q C 1.920 177.856 176.000 -0.107 0.000 0.987 190 Q CA 2.384 58.101 55.803 -0.144 0.000 0.858 190 Q CB -0.716 27.910 28.738 -0.188 0.000 0.905 190 Q HN 0.398 nan 8.270 nan 0.000 0.420 191 T N 0.738 115.255 114.554 -0.062 0.000 2.737 191 T HA -0.075 4.275 4.350 0.001 0.000 0.265 191 T C 1.898 176.606 174.700 0.012 0.000 1.038 191 T CA 1.333 63.417 62.100 -0.026 0.000 1.144 191 T CB -0.675 68.189 68.868 -0.007 0.000 0.866 191 T HN 0.647 nan 8.240 nan 0.000 0.434 192 G N 1.330 110.154 108.800 0.041 0.000 2.422 192 G HA2 -0.002 3.959 3.960 0.001 0.000 0.218 192 G HA3 -0.002 3.959 3.960 0.001 0.000 0.218 192 G C 0.871 175.856 174.900 0.142 0.000 1.140 192 G CA 0.249 45.425 45.100 0.127 0.000 0.775 192 G HN 0.391 nan 8.290 nan 0.000 0.545 196 E N 0.508 120.785 120.200 0.130 0.000 2.431 196 E HA 0.209 4.560 4.350 0.001 0.000 0.200 196 E C 1.580 178.255 176.600 0.125 0.000 0.995 196 E CA 0.978 57.454 56.400 0.126 0.000 0.915 196 E CB 1.017 30.819 29.700 0.169 0.000 0.930 196 E HN 0.475 nan 8.360 nan 0.000 0.496 197 G N 2.634 111.547 108.800 0.190 0.000 2.267 197 G HA2 -0.293 3.668 3.960 0.001 0.000 0.257 197 G HA3 -0.293 3.668 3.960 0.001 0.000 0.257 197 G C 0.121 175.110 174.900 0.148 0.000 0.998 197 G CA 1.041 46.239 45.100 0.165 0.000 0.620 197 G HN 0.458 nan 8.290 nan 0.000 0.529 198 D N -1.853 118.639 120.400 0.152 0.000 2.652 198 D HA 0.791 5.431 4.640 0.001 0.000 0.285 198 D C 0.658 177.024 176.300 0.110 0.000 1.173 198 D CA 0.461 54.542 54.000 0.135 0.000 0.981 198 D CB 1.099 41.955 40.800 0.093 0.000 1.440 198 D HN 1.710 nan 8.370 nan 0.000 0.485 199 G N -1.698 107.157 108.800 0.092 0.000 2.297 199 G HA2 0.438 4.398 3.960 0.001 0.000 0.209 199 G HA3 0.438 4.398 3.960 0.001 0.000 0.209 199 G C -1.640 173.293 174.900 0.056 0.000 1.267 199 G CA -0.195 44.924 45.100 0.032 0.000 1.127 199 G HN 1.421 nan 8.290 nan 0.000 0.498 200 V N -0.084 119.840 119.914 0.016 0.000 2.851 200 V HA 0.768 4.889 4.120 0.001 0.000 0.307 200 V C 0.060 176.152 176.094 -0.003 0.000 1.129 200 V CA 0.428 62.742 62.300 0.023 0.000 0.932 200 V CB 1.604 33.439 31.823 0.021 0.000 1.024 200 V HN 2.519 nan 8.190 nan 0.000 0.426 201 A N 5.854 128.671 122.820 -0.004 0.000 2.807 201 A HA 0.419 4.739 4.320 0.001 0.000 0.307 201 A C 0.817 178.396 177.584 -0.008 0.000 1.532 201 A CA -0.158 51.860 52.037 -0.032 0.000 1.215 201 A CB 0.101 19.060 19.000 -0.069 0.000 1.127 201 A HN 1.179 nan 8.150 nan 0.000 0.543 202 L N 2.156 123.374 121.223 -0.008 0.000 2.079 202 L HA -0.176 4.164 4.340 0.001 0.000 0.210 202 L C 2.033 178.921 176.870 0.030 0.000 1.081 202 L CA 2.805 57.650 54.840 0.009 0.000 0.752 202 L CB -0.447 41.608 42.059 -0.006 0.000 0.896 202 L HN 0.800 nan 8.230 nan 0.000 0.433 203 D N -0.953 119.466 120.400 0.032 0.000 2.350 203 D HA -0.103 4.538 4.640 0.001 0.000 0.216 203 D C 1.623 178.021 176.300 0.164 0.000 0.968 203 D CA 1.083 55.130 54.000 0.078 0.000 0.894 203 D CB -0.344 40.503 40.800 0.078 0.000 0.909 203 D HN 0.361 nan 8.370 nan 0.000 0.520 204 A N 0.143 123.050 122.820 0.144 0.000 2.308 204 A HA 0.342 4.662 4.320 0.001 0.000 0.217 204 A C 0.669 178.318 177.584 0.109 0.000 1.216 204 A CA -0.324 51.822 52.037 0.182 0.000 0.864 204 A CB 0.187 19.268 19.000 0.134 0.000 0.902 204 A HN 0.126 nan 8.150 nan 0.000 0.499 205 V N 1.073 121.039 119.914 0.087 0.000 2.607 205 V HA 0.194 4.315 4.120 0.001 0.000 0.289 205 V C 0.596 176.747 176.094 0.095 0.000 1.053 205 V CA -0.779 61.578 62.300 0.094 0.000 0.996 205 V CB 1.078 32.955 31.823 0.091 0.000 0.995 205 V HN 0.505 nan 8.190 nan 0.000 0.476 206 R N 2.361 122.940 120.500 0.132 0.000 2.585 206 R HA 0.075 4.416 4.340 0.001 0.000 0.275 206 R C 1.173 177.501 176.300 0.047 0.000 1.018 206 R CA -0.267 55.896 56.100 0.105 0.000 1.072 206 R CB 0.414 30.823 30.300 0.181 0.000 0.953 206 R HN 0.583 nan 8.270 nan 0.000 0.419 207 V N 2.375 122.281 119.914 -0.013 0.000 2.278 207 V HA -0.334 3.786 4.120 0.001 0.000 0.251 207 V C 1.843 177.863 176.094 -0.124 0.000 1.062 207 V CA 2.293 64.563 62.300 -0.051 0.000 1.038 207 V CB -0.441 31.350 31.823 -0.053 0.000 0.646 207 V HN 0.800 nan 8.190 nan 0.000 0.447 208 D N -0.805 119.439 120.400 -0.261 0.000 2.182 208 D HA -0.149 4.491 4.640 0.001 0.000 0.201 208 D C 1.478 177.420 176.300 -0.596 0.000 0.986 208 D CA 1.422 55.109 54.000 -0.521 0.000 0.847 208 D CB -0.091 40.188 40.800 -0.868 0.000 0.942 208 D HN 0.547 nan 8.370 nan 0.000 0.467 209 F N -0.697 119.256 119.950 0.005 0.000 2.678 209 F HA 0.447 4.974 4.527 0.000 0.000 0.305 209 F C 1.957 177.758 175.800 0.001 0.000 1.090 209 F CA -0.127 57.876 58.000 0.004 0.000 1.272 209 F CB -0.390 38.615 39.000 0.007 0.000 1.060 209 F HN -0.117 nan 8.300 nan 0.000 0.576 210 A N 0.770 123.653 122.820 0.105 0.000 1.883 210 A HA -0.127 4.193 4.320 0.001 0.000 0.217 210 A C 2.504 180.113 177.584 0.043 0.000 1.186 210 A CA 2.122 54.197 52.037 0.064 0.000 0.624 210 A CB -1.114 17.901 19.000 0.026 0.000 0.822 210 A HN 0.298 nan 8.150 nan 0.000 0.444 211 A N -0.660 122.175 122.820 0.025 0.000 1.902 211 A HA 0.119 4.439 4.320 0.001 0.000 0.217 211 A C 2.433 180.034 177.584 0.029 0.000 1.181 211 A CA 1.964 54.005 52.037 0.008 0.000 0.623 211 A CB -1.413 17.581 19.000 -0.009 0.000 0.818 211 A HN 0.798 nan 8.150 nan 0.000 0.443 212 G N -0.601 108.243 108.800 0.072 0.000 2.422 212 G HA2 0.018 3.979 3.960 0.001 0.000 0.218 212 G HA3 0.018 3.979 3.960 0.001 0.000 0.218 212 G C 1.689 176.627 174.900 0.064 0.000 1.146 212 G CA 1.364 46.516 45.100 0.087 0.000 0.769 212 G HN 0.791 nan 8.290 nan 0.000 0.547 213 A N 0.092 122.955 122.820 0.073 0.000 1.933 213 A HA 0.106 4.427 4.320 0.001 0.000 0.218 213 A C 2.581 180.179 177.584 0.024 0.000 1.175 213 A CA 1.786 53.851 52.037 0.047 0.000 0.628 213 A CB -0.462 18.572 19.000 0.055 0.000 0.814 213 A HN 0.252 nan 8.150 nan 0.000 0.444 214 V N -0.206 119.715 119.914 0.013 0.000 2.379 214 V HA -0.223 3.898 4.120 0.001 0.000 0.245 214 V C 2.466 178.556 176.094 -0.007 0.000 1.044 214 V CA 2.082 64.376 62.300 -0.009 0.000 1.036 214 V CB -0.719 31.088 31.823 -0.026 0.000 0.664 214 V HN 0.759 nan 8.190 nan 0.000 0.453 215 E N 0.283 120.482 120.200 -0.001 0.000 2.070 215 E HA -0.245 4.105 4.350 0.001 0.000 0.197 215 E C 1.624 178.225 176.600 0.002 0.000 1.004 215 E CA 1.142 57.541 56.400 -0.001 0.000 0.805 215 E CB -0.017 29.687 29.700 0.007 0.000 0.744 215 E HN 0.683 nan 8.360 nan 0.000 0.451 221 Y N 0.084 120.420 120.300 0.060 0.000 2.449 221 Y HA 0.298 4.849 4.550 0.001 0.000 0.254 221 Y C 2.034 178.048 175.900 0.190 0.000 1.140 221 Y CA 0.606 58.792 58.100 0.144 0.000 1.272 221 Y CB 0.343 38.831 38.460 0.046 0.000 1.114 221 Y HN 0.205 nan 8.280 nan 0.000 0.525 222 G N 0.170 109.087 108.800 0.195 0.000 2.448 222 G HA2 -0.209 3.751 3.960 0.001 0.000 0.219 222 G HA3 -0.209 3.751 3.960 0.001 0.000 0.219 222 G C 1.707 176.681 174.900 0.123 0.000 1.127 222 G CA 0.847 46.033 45.100 0.143 0.000 0.766 222 G HN 0.230 nan 8.290 nan 0.000 0.552 223 K N -0.174 120.283 120.400 0.095 0.000 2.426 223 K HA 0.140 4.460 4.320 0.001 0.000 0.193 223 K C 1.620 178.246 176.600 0.043 0.000 1.028 223 K CA 0.550 56.869 56.287 0.053 0.000 1.047 223 K CB -0.124 32.389 32.500 0.021 0.000 0.821 223 K HN 0.603 nan 8.250 nan 0.000 0.513 224 N N -0.922 117.827 118.700 0.082 0.000 2.205 224 N HA 0.175 4.916 4.740 0.001 0.000 0.201 224 N C -0.707 174.607 175.510 -0.326 0.000 1.128 224 N CA -0.027 52.973 53.050 -0.085 0.000 0.867 224 N CB 0.450 38.888 38.487 -0.081 0.000 0.996 224 N HN 0.224 nan 8.380 nan 0.000 0.503 225 Y N -0.446 119.903 120.300 0.082 0.000 2.602 225 Y HA 0.295 4.845 4.550 0.000 0.000 0.342 225 Y C 0.430 176.361 175.900 0.052 0.000 1.029 225 Y CA -1.139 57.014 58.100 0.087 0.000 1.080 225 Y CB 1.284 39.810 38.460 0.109 0.000 1.284 225 Y HN -0.165 nan 8.280 nan 0.000 0.485 226 D N 0.706 121.232 120.400 0.211 0.000 2.271 226 D HA 0.101 4.741 4.640 0.001 0.000 0.206 226 D C -0.205 176.131 176.300 0.060 0.000 0.967 226 D CA 1.281 55.332 54.000 0.085 0.000 0.867 226 D CB 1.024 41.843 40.800 0.032 0.000 0.960 226 D HN 0.391 nan 8.370 nan 0.000 0.509 227 I N 0.506 121.150 120.570 0.122 0.000 2.680 227 I HA 0.220 4.390 4.170 0.001 0.000 0.291 227 I C -1.857 174.229 176.117 -0.051 0.000 1.244 227 I CA -0.665 60.633 61.300 -0.003 0.000 1.042 227 I CB 1.769 39.755 38.000 -0.024 0.000 1.277 227 I HN -0.311 nan 8.210 nan 0.000 0.423 228 L N 6.622 127.737 121.223 -0.179 0.000 2.329 228 L HA 0.536 4.876 4.340 0.001 0.000 0.279 228 L C -0.711 175.940 176.870 -0.364 0.000 1.014 228 L CA -0.787 53.929 54.840 -0.206 0.000 0.814 228 L CB 1.520 43.496 42.059 -0.138 0.000 1.257 228 L HN 0.489 nan 8.230 nan 0.000 0.424 229 H N 4.412 123.402 119.070 -0.132 0.000 2.690 229 H HA 0.326 4.883 4.556 0.001 0.000 0.280 229 H C -0.618 174.544 175.328 -0.276 0.000 1.138 229 H CA -0.655 55.320 56.048 -0.121 0.000 1.241 229 H CB 1.300 31.053 29.762 -0.013 0.000 1.394 229 H HN 0.350 nan 8.280 nan 0.000 0.489 230 I N 2.475 122.943 120.570 -0.170 0.000 2.396 230 I HA -0.051 4.119 4.170 0.001 0.000 0.289 230 I C 1.110 177.099 176.117 -0.213 0.000 1.056 230 I CA 0.088 61.243 61.300 -0.242 0.000 1.365 230 I CB 0.542 38.440 38.000 -0.170 0.000 1.407 230 I HN 0.476 nan 8.210 nan 0.000 0.509 231 E N 5.129 125.133 120.200 -0.328 0.000 2.415 231 E HA 0.211 4.562 4.350 0.001 0.000 0.263 231 E C 0.321 176.856 176.600 -0.109 0.000 0.995 231 E CA -0.313 55.984 56.400 -0.172 0.000 0.915 231 E CB 0.643 30.236 29.700 -0.179 0.000 0.951 231 E HN 0.791 nan 8.360 nan 0.000 0.449 232 G N 3.527 112.288 108.800 -0.063 0.000 2.539 232 G HA2 0.214 4.174 3.960 0.001 0.000 0.258 232 G HA3 0.214 4.174 3.960 0.001 0.000 0.258 232 G C -0.688 174.190 174.900 -0.038 0.000 1.202 232 G CA -0.371 44.696 45.100 -0.054 0.000 0.851 232 G HN 0.500 nan 8.290 nan 0.000 0.556 233 Q N -0.637 119.146 119.800 -0.027 0.000 2.379 233 Q HA 0.582 4.923 4.340 0.001 0.000 0.278 233 Q C 0.411 176.408 176.000 -0.004 0.000 1.068 233 Q CA 0.176 55.967 55.803 -0.021 0.000 0.816 233 Q CB 1.882 30.605 28.738 -0.027 0.000 1.387 233 Q HN 1.492 nan 8.270 nan 0.000 0.413 234 G N 1.584 110.374 108.800 -0.017 0.000 2.601 234 G HA2 -0.154 3.806 3.960 0.001 0.000 0.252 234 G HA3 -0.154 3.806 3.960 0.001 0.000 0.252 234 G C -0.536 174.393 174.900 0.049 0.000 1.294 234 G CA 0.116 45.204 45.100 -0.019 0.000 0.912 234 G HN 1.103 nan 8.290 nan 0.000 0.574 235 S N -2.108 113.646 115.700 0.090 0.000 2.560 235 S HA 0.454 4.924 4.470 0.001 0.000 0.283 235 S C 0.764 175.455 174.600 0.151 0.000 1.141 235 S CA 0.280 58.591 58.200 0.185 0.000 0.902 235 S CB 0.927 64.241 63.200 0.191 0.000 1.104 235 S HN 1.190 nan 8.310 nan 0.000 0.454 236 L N 4.168 125.461 121.223 0.117 0.000 2.456 236 L HA 0.056 4.396 4.340 0.001 0.000 0.224 236 L C 1.508 178.364 176.870 -0.023 0.000 1.148 236 L CA 0.880 55.689 54.840 -0.051 0.000 0.825 236 L CB -0.351 41.508 42.059 -0.334 0.000 0.937 236 L HN 0.666 nan 8.230 nan 0.000 0.450 237 L N -1.787 119.462 121.223 0.044 0.000 2.529 237 L HA 0.055 4.395 4.340 0.001 0.000 0.223 237 L C 1.013 177.914 176.870 0.051 0.000 1.113 237 L CA -0.085 54.775 54.840 0.033 0.000 0.861 237 L CB -0.362 41.727 42.059 0.050 0.000 1.012 237 L HN 0.227 nan 8.230 nan 0.000 0.461 238 H N 3.033 122.108 119.070 0.007 0.000 2.562 238 H HA 0.159 4.716 4.556 0.001 0.000 0.314 238 H C -1.668 173.659 175.328 -0.001 0.000 1.079 238 H CA -1.931 54.119 56.048 0.003 0.000 1.349 238 H CB 1.916 31.689 29.762 0.018 0.000 1.432 238 H HN -0.100 nan 8.280 nan 0.000 0.479 239 P HA -0.040 nan 4.420 nan 0.000 0.225 239 P C 0.964 178.363 177.300 0.165 0.000 1.148 239 P CA 1.004 64.140 63.100 0.061 0.000 0.779 239 P CB 0.239 31.927 31.700 -0.020 0.000 0.780 240 G N -0.916 108.111 108.800 0.378 0.000 3.159 240 G HA2 0.052 4.013 3.960 0.001 0.000 0.232 240 G HA3 0.052 4.013 3.960 0.001 0.000 0.232 240 G C 0.263 175.225 174.900 0.102 0.000 1.116 240 G CA 0.097 45.331 45.100 0.223 0.000 0.767 240 G HN 0.310 nan 8.290 nan 0.000 0.547 241 S N -0.473 115.289 115.700 0.104 0.000 2.499 241 S HA 0.521 4.991 4.470 0.001 0.000 0.279 241 S C 1.080 175.688 174.600 0.014 0.000 1.219 241 S CA -0.205 57.986 58.200 -0.015 0.000 1.062 241 S CB 1.479 64.648 63.200 -0.051 0.000 0.978 241 S HN 0.046 nan 8.310 nan 0.000 0.489 242 T N 3.983 118.535 114.554 -0.003 0.000 2.987 242 T HA 0.222 4.572 4.350 0.001 0.000 0.248 242 T C 2.055 176.756 174.700 0.002 0.000 0.997 242 T CA 0.496 62.597 62.100 0.002 0.000 1.013 242 T CB -0.286 68.581 68.868 -0.001 0.000 1.077 242 T HN 0.689 nan 8.240 nan 0.000 0.483 243 A N 1.715 124.534 122.820 -0.002 0.000 1.986 243 A HA -0.169 4.152 4.320 0.001 0.000 0.220 243 A C 2.321 179.909 177.584 0.006 0.000 1.171 243 A CA 2.212 54.248 52.037 -0.001 0.000 0.640 243 A CB -1.307 17.688 19.000 -0.009 0.000 0.811 243 A HN 0.477 nan 8.150 nan 0.000 0.451 244 T N -0.137 114.434 114.554 0.028 0.000 2.833 244 T HA -0.131 4.219 4.350 0.001 0.000 0.269 244 T C 1.760 176.483 174.700 0.038 0.000 1.054 244 T CA 1.398 63.532 62.100 0.058 0.000 1.135 244 T CB -0.311 68.646 68.868 0.149 0.000 0.869 244 T HN 0.353 nan 8.240 nan 0.000 0.466 245 L N 2.675 123.908 121.223 0.016 0.000 1.988 245 L HA 0.037 4.378 4.340 0.001 0.000 0.207 245 L C -0.798 176.053 176.870 -0.031 0.000 1.071 245 L CA 1.861 56.696 54.840 -0.008 0.000 0.744 245 L CB -1.404 40.648 42.059 -0.012 0.000 0.893 245 L HN 0.077 nan 8.230 nan 0.000 0.433 246 P HA -0.188 nan 4.420 nan 0.000 0.218 246 P C 2.182 179.457 177.300 -0.041 0.000 1.148 246 P CA 1.605 64.686 63.100 -0.032 0.000 0.822 246 P CB -0.064 31.627 31.700 -0.015 0.000 0.784 247 L N -1.054 120.148 121.223 -0.035 0.000 2.017 247 L HA -0.152 4.189 4.340 0.001 0.000 0.208 247 L C 2.786 179.619 176.870 -0.063 0.000 1.073 247 L CA 1.406 56.218 54.840 -0.047 0.000 0.745 247 L CB -0.791 41.244 42.059 -0.041 0.000 0.894 247 L HN -0.131 nan 8.230 nan 0.000 0.432 248 I N -0.979 119.556 120.570 -0.058 0.000 2.142 248 I HA -0.254 3.917 4.170 0.001 0.000 0.240 248 I C 2.819 178.840 176.117 -0.161 0.000 1.078 248 I CA 0.979 62.228 61.300 -0.086 0.000 1.343 248 I CB -0.331 37.637 38.000 -0.053 0.000 1.046 248 I HN 0.222 nan 8.210 nan 0.000 0.405 249 R N 0.812 121.207 120.500 -0.175 0.000 2.073 249 R HA -0.096 4.245 4.340 0.001 0.000 0.234 249 R C 2.309 178.506 176.300 -0.171 0.000 1.134 249 R CA 1.667 57.619 56.100 -0.247 0.000 0.952 249 R CB -1.299 28.890 30.300 -0.185 0.000 0.850 249 R HN 0.443 nan 8.270 nan 0.000 0.433 250 G N 0.385 109.125 108.800 -0.100 0.000 2.422 250 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 250 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 250 G C 1.483 176.346 174.900 -0.062 0.000 1.140 250 G CA 0.996 46.059 45.100 -0.062 0.000 0.775 250 G HN 0.487 nan 8.290 nan 0.000 0.545 251 S N -0.842 114.812 115.700 -0.076 0.000 2.503 251 S HA 0.074 4.544 4.470 0.001 0.000 0.217 251 S C 1.007 175.564 174.600 -0.072 0.000 0.999 251 S CA 0.560 58.719 58.200 -0.068 0.000 0.914 251 S CB 0.021 63.175 63.200 -0.075 0.000 0.782 251 S HN 0.303 nan 8.310 nan 0.000 0.520 252 Q N 1.644 121.384 119.800 -0.100 0.000 2.443 252 Q HA -0.090 4.250 4.340 0.001 0.000 0.337 252 Q C -2.403 173.560 176.000 -0.062 0.000 1.401 252 Q CA 0.754 56.501 55.803 -0.094 0.000 0.943 252 Q CB -1.955 26.751 28.738 -0.054 0.000 1.177 252 Q HN 0.533 nan 8.270 nan 0.000 0.394 253 P HA -0.021 nan 4.420 nan 0.000 0.269 253 P C 0.988 178.266 177.300 -0.037 0.000 1.215 253 P CA 0.422 63.489 63.100 -0.055 0.000 0.780 253 P CB 0.584 32.249 31.700 -0.058 0.000 0.898 254 T N -1.317 113.213 114.554 -0.039 0.000 3.031 254 T HA 0.098 4.448 4.350 0.001 0.000 0.254 254 T C 0.415 175.101 174.700 -0.023 0.000 1.060 254 T CA 0.564 62.648 62.100 -0.027 0.000 1.135 254 T CB 0.001 68.848 68.868 -0.034 0.000 0.896 254 T HN 0.376 nan 8.240 nan 0.000 0.472 255 Q N -0.132 119.649 119.800 -0.032 0.000 2.379 255 Q HA 0.747 5.087 4.340 0.001 0.000 0.278 255 Q C -1.607 174.373 176.000 -0.033 0.000 1.068 255 Q CA -0.522 55.267 55.803 -0.024 0.000 0.816 255 Q CB 2.739 31.466 28.738 -0.019 0.000 1.387 255 Q HN 0.283 nan 8.270 nan 0.000 0.413 256 L N 0.649 121.854 121.223 -0.030 0.000 2.342 256 L HA 0.834 5.174 4.340 0.001 0.000 0.271 256 L C -0.875 175.967 176.870 -0.047 0.000 1.008 256 L CA -1.282 53.526 54.840 -0.054 0.000 0.818 256 L CB 1.894 43.911 42.059 -0.069 0.000 1.296 256 L HN 0.299 nan 8.230 nan 0.000 0.427 257 V N 3.341 123.218 119.914 -0.061 0.000 2.407 257 V HA 0.308 4.428 4.120 0.001 0.000 0.291 257 V C -0.405 175.642 176.094 -0.079 0.000 1.018 257 V CA -0.520 61.756 62.300 -0.040 0.000 0.842 257 V CB 1.956 33.776 31.823 -0.005 0.000 0.996 257 V HN 0.421 nan 8.190 nan 0.000 0.426 258 L N 7.310 128.489 121.223 -0.073 0.000 2.305 258 L HA 0.595 4.935 4.340 0.001 0.000 0.281 258 L C -0.225 176.635 176.870 -0.018 0.000 1.085 258 L CA 0.448 55.231 54.840 -0.095 0.000 0.813 258 L CB 1.429 43.442 42.059 -0.076 0.000 1.157 258 L HN 0.438 nan 8.230 nan 0.000 0.436 259 V N 5.016 124.924 119.914 -0.011 0.000 2.547 259 V HA 0.504 4.624 4.120 0.001 0.000 0.299 259 V C -0.868 175.308 176.094 0.136 0.000 1.040 259 V CA -0.622 61.708 62.300 0.050 0.000 0.913 259 V CB 1.349 33.186 31.823 0.022 0.000 0.992 259 V HN 0.926 nan 8.190 nan 0.000 0.449 260 H N 3.005 122.094 119.070 0.031 0.000 3.029 260 H HA 0.462 5.018 4.556 0.001 0.000 0.358 260 H C -0.572 174.795 175.328 0.066 0.000 1.129 260 H CA -0.683 55.393 56.048 0.046 0.000 1.230 260 H CB 1.257 31.047 29.762 0.047 0.000 1.827 260 H HN 0.653 nan 8.280 nan 0.000 0.530 261 R N 3.660 123.851 120.500 -0.514 0.000 2.298 261 R HA 0.605 4.945 4.340 0.001 0.000 0.310 261 R C -0.522 175.501 176.300 -0.461 0.000 1.068 261 R CA -0.180 55.722 56.100 -0.330 0.000 0.957 261 R CB 0.390 30.558 30.300 -0.219 0.000 1.003 261 R HN 0.722 nan 8.270 nan 0.000 0.454 262 A N 3.155 125.962 122.820 -0.021 0.000 2.546 262 A HA 0.337 4.658 4.320 0.001 0.000 0.243 262 A C 1.308 178.998 177.584 0.177 0.000 1.063 262 A CA 0.742 52.854 52.037 0.126 0.000 0.757 262 A CB -0.195 18.905 19.000 0.166 0.000 0.991 262 A HN 1.167 nan 8.150 nan 0.000 0.503 263 G N 0.878 109.784 108.800 0.177 0.000 2.179 263 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 263 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 263 G C 0.402 175.359 174.900 0.095 0.000 0.977 263 G CA 0.604 45.799 45.100 0.158 0.000 0.641 263 G HN 1.148 nan 8.290 nan 0.000 0.533 264 Q N 1.035 120.851 119.800 0.027 0.000 2.293 264 Q HA 0.499 4.839 4.340 0.001 0.000 0.263 264 Q C 1.681 177.755 176.000 0.122 0.000 1.002 264 Q CA 0.641 56.457 55.803 0.021 0.000 0.910 264 Q CB 0.531 29.218 28.738 -0.085 0.000 1.185 264 Q HN 0.482 nan 8.270 nan 0.000 0.401 265 T N 0.020 114.633 114.554 0.098 0.000 3.023 265 T HA 0.151 4.502 4.350 0.001 0.000 0.249 265 T C 0.015 174.571 174.700 -0.239 0.000 1.050 265 T CA 0.285 62.380 62.100 -0.009 0.000 1.088 265 T CB 0.156 69.058 68.868 0.056 0.000 0.946 265 T HN 0.618 nan 8.240 nan 0.000 0.480 266 H N 0.380 119.460 119.070 0.017 0.000 2.894 266 H HA 0.481 5.037 4.556 0.001 0.000 0.368 266 H C -0.438 174.872 175.328 -0.031 0.000 1.181 266 H CA -1.067 54.971 56.048 -0.017 0.000 1.146 266 H CB 0.980 30.723 29.762 -0.032 0.000 1.839 266 H HN 0.069 nan 8.280 nan 0.000 0.557 267 N N 0.295 119.026 118.700 0.051 0.000 2.454 267 N HA -0.072 4.668 4.740 0.001 0.000 0.254 267 N C 1.039 176.537 175.510 -0.020 0.000 1.228 267 N CA 0.568 53.601 53.050 -0.029 0.000 0.900 267 N CB 1.051 39.439 38.487 -0.164 0.000 1.089 267 N HN 0.862 nan 8.380 nan 0.000 0.449 268 G N 3.389 112.188 108.800 -0.002 0.000 2.414 268 G HA2 -0.233 3.727 3.960 0.001 0.000 0.215 268 G HA3 -0.233 3.727 3.960 0.001 0.000 0.215 268 G C 1.220 176.118 174.900 -0.004 0.000 1.188 268 G CA 0.640 45.744 45.100 0.006 0.000 0.783 268 G HN 0.759 nan 8.290 nan 0.000 0.537 269 N N 0.637 119.338 118.700 0.001 0.000 2.309 269 N HA -0.031 4.710 4.740 0.001 0.000 0.182 269 N C -0.042 175.443 175.510 -0.041 0.000 1.018 269 N CA 0.549 53.605 53.050 0.009 0.000 0.876 269 N CB 0.097 38.639 38.487 0.092 0.000 0.972 269 N HN 0.158 nan 8.380 nan 0.000 0.434 270 N N 0.430 119.050 118.700 -0.132 0.000 2.790 270 N HA 0.159 4.900 4.740 0.001 0.000 0.256 270 N C -2.310 173.069 175.510 -0.219 0.000 1.409 270 N CA -0.994 51.957 53.050 -0.165 0.000 0.799 270 N CB 1.716 40.018 38.487 -0.310 0.000 1.170 270 N HN -0.006 nan 8.380 nan 0.000 0.507 271 P HA -0.205 nan 4.420 nan 0.000 0.219 271 P C 1.420 178.679 177.300 -0.068 0.000 1.144 271 P CA 1.336 64.397 63.100 -0.066 0.000 0.806 271 P CB -0.047 31.622 31.700 -0.052 0.000 0.771 272 H N -1.848 117.211 119.070 -0.020 0.000 2.491 272 H HA 0.033 4.589 4.556 0.000 0.000 0.290 272 H C 0.137 175.522 175.328 0.095 0.000 1.050 272 H CA 0.465 56.520 56.048 0.012 0.000 1.309 272 H CB -0.870 28.889 29.762 -0.005 0.000 1.392 272 H HN -0.064 nan 8.280 nan 0.000 0.554 273 V N 5.677 125.362 119.914 -0.380 0.000 2.368 273 V HA 0.200 4.320 4.120 0.001 0.000 0.266 273 V C -1.969 174.112 176.094 -0.023 0.000 1.045 273 V CA -1.519 60.652 62.300 -0.215 0.000 0.899 273 V CB 1.282 32.889 31.823 -0.360 0.000 1.006 273 V HN 0.273 nan 8.190 nan 0.000 0.470 274 P HA 0.400 nan 4.420 nan 0.000 0.279 274 P C -0.571 176.633 177.300 -0.161 0.000 1.252 274 P CA -0.523 62.435 63.100 -0.236 0.000 0.811 274 P CB 1.442 32.984 31.700 -0.265 0.000 1.035 275 I N 3.045 123.503 120.570 -0.186 0.000 2.297 275 I HA 0.240 4.410 4.170 0.001 0.000 0.291 275 I C -1.862 174.200 176.117 -0.092 0.000 1.033 275 I CA -2.241 59.014 61.300 -0.075 0.000 1.253 275 I CB 0.947 38.957 38.000 0.017 0.000 1.396 275 I HN 0.194 nan 8.210 nan 0.000 0.476 276 P HA 0.225 nan 4.420 nan 0.000 0.274 276 P C -2.510 174.746 177.300 -0.072 0.000 1.260 276 P CA -1.155 61.905 63.100 -0.067 0.000 0.793 276 P CB -0.394 31.278 31.700 -0.048 0.000 1.048 277 P HA 0.047 nan 4.420 nan 0.000 0.266 277 P C 0.983 178.240 177.300 -0.071 0.000 1.195 277 P CA 0.272 63.333 63.100 -0.065 0.000 0.768 277 P CB 0.226 31.901 31.700 -0.042 0.000 0.838 278 L N 4.185 125.348 121.223 -0.099 0.000 2.081 278 L HA -0.162 4.178 4.340 0.001 0.000 0.212 278 L C -0.618 176.233 176.870 -0.033 0.000 1.080 278 L CA 2.023 56.807 54.840 -0.093 0.000 0.754 278 L CB -1.902 40.084 42.059 -0.122 0.000 0.893 278 L HN 0.434 nan 8.230 nan 0.000 0.433 279 P HA -0.158 nan 4.420 nan 0.000 0.218 279 P C 1.356 178.657 177.300 0.001 0.000 1.148 279 P CA 1.118 64.216 63.100 -0.005 0.000 0.822 279 P CB 0.036 31.733 31.700 -0.006 0.000 0.784 280 E N -0.629 119.566 120.200 -0.009 0.000 2.107 280 E HA -0.069 4.281 4.350 0.001 0.000 0.191 280 E C 2.044 178.645 176.600 0.001 0.000 0.982 280 E CA 0.879 57.274 56.400 -0.009 0.000 0.809 280 E CB -0.759 28.929 29.700 -0.021 0.000 0.756 280 E HN 0.122 nan 8.360 nan 0.000 0.459 281 V N 1.483 121.405 119.914 0.014 0.000 2.427 281 V HA -0.207 3.914 4.120 0.001 0.000 0.248 281 V C 2.402 178.589 176.094 0.155 0.000 1.051 281 V CA 1.177 63.518 62.300 0.069 0.000 1.048 281 V CB -0.430 31.446 31.823 0.089 0.000 0.666 281 V HN 0.178 nan 8.190 nan 0.000 0.456 282 I N -0.318 120.317 120.570 0.108 0.000 2.226 282 I HA -0.260 3.910 4.170 0.001 0.000 0.245 282 I C 2.778 178.956 176.117 0.100 0.000 1.100 282 I CA 1.710 63.079 61.300 0.115 0.000 1.374 282 I CB -0.396 37.638 38.000 0.056 0.000 1.057 282 I HN 0.188 nan 8.210 nan 0.000 0.413 283 R N 0.619 121.150 120.500 0.053 0.000 2.081 283 R HA -0.203 4.137 4.340 0.001 0.000 0.235 283 R C 2.354 178.666 176.300 0.020 0.000 1.131 283 R CA 1.418 57.538 56.100 0.032 0.000 0.960 283 R CB -0.270 30.037 30.300 0.012 0.000 0.856 283 R HN 0.211 nan 8.270 nan 0.000 0.436 284 L N 0.106 121.322 121.223 -0.011 0.000 1.970 284 L HA -0.219 4.122 4.340 0.001 0.000 0.212 284 L C 1.772 178.578 176.870 -0.106 0.000 1.071 284 L CA 1.877 56.660 54.840 -0.093 0.000 0.751 284 L CB -0.877 41.072 42.059 -0.184 0.000 0.889 284 L HN 0.154 nan 8.230 nan 0.000 0.432 285 Y N 0.453 120.755 120.300 0.003 0.000 2.181 285 Y HA -0.204 4.346 4.550 0.001 0.000 0.288 285 Y C 2.625 178.529 175.900 0.006 0.000 1.146 285 Y CA 1.949 60.050 58.100 0.003 0.000 1.164 285 Y CB -0.402 38.058 38.460 0.000 0.000 0.982 285 Y HN 0.373 nan 8.280 nan 0.000 0.515 286 E N -1.035 119.256 120.200 0.153 0.000 2.106 286 E HA -0.151 4.199 4.350 0.001 0.000 0.192 286 E C 2.036 178.680 176.600 0.074 0.000 0.984 286 E CA 1.617 58.075 56.400 0.097 0.000 0.806 286 E CB -0.190 29.553 29.700 0.072 0.000 0.750 286 E HN 0.410 nan 8.360 nan 0.000 0.458 287 T N 0.756 115.341 114.554 0.052 0.000 2.737 287 T HA -0.109 4.241 4.350 0.001 0.000 0.265 287 T C 2.129 176.861 174.700 0.054 0.000 1.038 287 T CA 0.929 63.053 62.100 0.041 0.000 1.144 287 T CB -0.191 68.685 68.868 0.014 0.000 0.866 287 T HN -0.027 nan 8.240 nan 0.000 0.434 288 V N 1.765 121.699 119.914 0.033 0.000 2.343 288 V HA -0.177 3.943 4.120 0.001 0.000 0.247 288 V C 2.880 179.016 176.094 0.071 0.000 1.051 288 V CA 1.734 64.056 62.300 0.037 0.000 1.036 288 V CB -1.173 30.641 31.823 -0.015 0.000 0.654 288 V HN 0.532 nan 8.190 nan 0.000 0.451 289 A N 0.572 123.437 122.820 0.076 0.000 1.902 289 A HA -0.199 4.122 4.320 0.001 0.000 0.217 289 A C 2.492 180.151 177.584 0.124 0.000 1.181 289 A CA 2.256 54.326 52.037 0.055 0.000 0.623 289 A CB -0.674 18.362 19.000 0.059 0.000 0.818 289 A HN 0.692 nan 8.150 nan 0.000 0.443 290 S N -1.611 114.185 115.700 0.160 0.000 2.496 290 S HA 0.316 4.787 4.470 0.001 0.000 0.224 290 S C 1.514 176.300 174.600 0.310 0.000 0.996 290 S CA 1.121 59.450 58.200 0.214 0.000 0.927 290 S CB -0.611 62.657 63.200 0.114 0.000 0.774 290 S HN 1.951 nan 8.310 nan 0.000 0.524 291 G N 1.166 110.154 108.800 0.315 0.000 2.225 291 G HA2 0.023 3.984 3.960 0.001 0.000 0.267 291 G HA3 0.023 3.984 3.960 0.001 0.000 0.267 291 G C 1.071 176.011 174.900 0.066 0.000 1.024 291 G CA 0.405 45.661 45.100 0.260 0.000 0.784 291 G HN 1.852 nan 8.290 nan 0.000 0.507 292 G N -1.745 107.089 108.800 0.055 0.000 2.168 292 G HA2 0.269 4.230 3.960 0.001 0.000 0.257 292 G HA3 0.269 4.230 3.960 0.001 0.000 0.257 292 G C 1.714 176.604 174.900 -0.015 0.000 0.997 292 G CA 0.944 46.052 45.100 0.014 0.000 0.708 292 G HN 2.666 nan 8.290 nan 0.000 0.520 293 G N -2.176 106.610 108.800 -0.023 0.000 2.260 293 G HA2 0.239 4.200 3.960 0.001 0.000 0.179 293 G HA3 0.239 4.200 3.960 0.001 0.000 0.179 293 G C 1.326 176.137 174.900 -0.148 0.000 1.002 293 G CA 1.144 46.210 45.100 -0.057 0.000 0.677 293 G HN 1.866 nan 8.290 nan 0.000 0.486 294 A N -0.562 122.084 122.820 -0.289 0.000 2.014 294 A HA 0.632 4.952 4.320 0.001 0.000 0.218 294 A C 0.717 177.804 177.584 -0.828 0.000 1.163 294 A CA 1.239 52.891 52.037 -0.641 0.000 0.652 294 A CB -0.210 18.221 19.000 -0.949 0.000 0.808 294 A HN 0.691 nan 8.150 nan 0.000 0.449 295 F N -1.941 118.009 119.950 0.001 0.000 2.611 295 F HA 0.611 5.138 4.527 0.000 0.000 0.324 295 F C 1.010 176.810 175.800 0.002 0.000 1.061 295 F CA -1.180 56.821 58.000 0.001 0.000 0.954 295 F CB 0.497 39.499 39.000 0.003 0.000 1.301 295 F HN 0.053 nan 8.300 nan 0.000 0.482 296 G N -0.011 108.906 108.800 0.196 0.000 2.614 296 G HA2 0.337 4.298 3.960 0.001 0.000 0.239 296 G HA3 0.337 4.298 3.960 0.001 0.000 0.239 296 G C -0.433 174.527 174.900 0.099 0.000 1.240 296 G CA -0.449 44.713 45.100 0.104 0.000 0.842 296 G HN 0.568 nan 8.290 nan 0.000 0.584 297 T N 0.339 114.931 114.554 0.063 0.000 2.853 297 T HA 0.300 4.650 4.350 0.001 0.000 0.298 297 T C 0.222 174.948 174.700 0.044 0.000 0.978 297 T CA 0.118 62.249 62.100 0.052 0.000 1.152 297 T CB 0.806 69.694 68.868 0.034 0.000 0.914 297 T HN 0.297 nan 8.240 nan 0.000 0.539 298 V N 7.694 127.635 119.914 0.045 0.000 2.376 298 V HA 0.382 4.502 4.120 0.001 0.000 0.287 298 V C -2.049 174.062 176.094 0.030 0.000 1.015 298 V CA -1.886 60.432 62.300 0.030 0.000 0.834 298 V CB 1.457 33.295 31.823 0.025 0.000 1.001 298 V HN 0.723 nan 8.190 nan 0.000 0.428 299 P HA 0.344 nan 4.420 nan 0.000 0.286 299 P C -0.601 176.707 177.300 0.013 0.000 1.261 299 P CA -0.400 62.712 63.100 0.020 0.000 0.821 299 P CB 1.992 33.701 31.700 0.015 0.000 1.013 300 V N 3.823 123.747 119.914 0.016 0.000 2.405 300 V HA 0.006 4.126 4.120 0.001 0.000 0.264 300 V C 1.822 177.921 176.094 0.007 0.000 1.048 300 V CA 0.074 62.376 62.300 0.002 0.000 0.966 300 V CB 0.691 32.517 31.823 0.006 0.000 1.015 300 V HN 0.493 nan 8.190 nan 0.000 0.477 301 V N 2.617 122.534 119.914 0.005 0.000 3.235 301 V HA 0.587 4.707 4.120 0.001 0.000 0.259 301 V C 0.806 176.910 176.094 0.017 0.000 1.133 301 V CA 1.118 63.425 62.300 0.012 0.000 1.128 301 V CB -0.215 31.616 31.823 0.014 0.000 0.757 301 V HN 0.846 nan 8.190 nan 0.000 0.469 302 G N -0.603 108.206 108.800 0.015 0.000 2.576 302 G HA2 0.644 4.605 3.960 0.001 0.000 0.290 302 G HA3 0.644 4.605 3.960 0.001 0.000 0.290 302 G C -1.779 173.132 174.900 0.019 0.000 1.442 302 G CA -0.835 44.278 45.100 0.021 0.000 0.792 302 G HN 0.159 nan 8.290 nan 0.000 0.491 303 I N 1.112 121.700 120.570 0.030 0.000 2.410 303 I HA 0.526 4.696 4.170 0.001 0.000 0.286 303 I C 0.428 176.580 176.117 0.058 0.000 1.009 303 I CA -0.869 60.456 61.300 0.040 0.000 1.111 303 I CB 2.053 40.080 38.000 0.046 0.000 1.262 303 I HN 0.620 nan 8.210 nan 0.000 0.443 304 A N 7.391 130.246 122.820 0.058 0.000 2.316 304 A HA 0.536 4.856 4.320 0.001 0.000 0.311 304 A C -0.726 176.911 177.584 0.089 0.000 1.339 304 A CA -0.309 51.769 52.037 0.068 0.000 0.960 304 A CB 0.187 19.216 19.000 0.049 0.000 1.152 304 A HN 0.599 nan 8.150 nan 0.000 0.547 305 L N 2.997 124.282 121.223 0.103 0.000 2.276 305 L HA 0.311 4.652 4.340 0.001 0.000 0.286 305 L C 0.167 177.093 176.870 0.093 0.000 1.061 305 L CA -0.201 54.709 54.840 0.117 0.000 0.807 305 L CB 1.025 43.162 42.059 0.129 0.000 1.177 305 L HN 0.707 nan 8.230 nan 0.000 0.429 306 N N 2.253 120.998 118.700 0.074 0.000 2.439 306 N HA 0.069 4.809 4.740 0.001 0.000 0.243 306 N C 0.411 175.981 175.510 0.101 0.000 1.088 306 N CA 0.356 53.449 53.050 0.071 0.000 0.940 306 N CB 0.755 39.275 38.487 0.054 0.000 1.180 306 N HN 0.740 nan 8.380 nan 0.000 0.505 307 T N 0.233 114.820 114.554 0.054 0.000 3.134 307 T HA 0.267 4.618 4.350 0.001 0.000 0.260 307 T C 1.624 176.255 174.700 -0.114 0.000 1.027 307 T CA 0.184 62.260 62.100 -0.040 0.000 0.913 307 T CB 0.142 69.013 68.868 0.005 0.000 1.046 307 T HN 0.292 nan 8.240 nan 0.000 0.553 308 A N 3.546 126.371 122.820 0.009 0.000 1.896 308 A HA -0.298 4.022 4.320 0.001 0.000 0.220 308 A C 2.255 179.842 177.584 0.006 0.000 1.206 308 A CA 2.239 54.285 52.037 0.015 0.000 0.647 308 A CB -1.460 17.578 19.000 0.064 0.000 0.828 308 A HN 0.925 nan 8.150 nan 0.000 0.455 309 H N -0.830 118.241 119.070 0.001 0.000 2.560 309 H HA 0.184 4.740 4.556 0.001 0.000 0.283 309 H C 0.462 175.803 175.328 0.022 0.000 1.028 309 H CA 0.777 56.829 56.048 0.007 0.000 1.221 309 H CB -0.763 29.002 29.762 0.005 0.000 1.363 309 H HN 0.429 nan 8.280 nan 0.000 0.594 310 L N 2.011 123.013 121.223 -0.368 0.000 2.334 310 L HA 0.214 4.555 4.340 0.001 0.000 0.270 310 L C 0.143 176.971 176.870 -0.069 0.000 1.018 310 L CA -1.342 53.367 54.840 -0.217 0.000 0.811 310 L CB 1.530 43.420 42.059 -0.281 0.000 1.271 310 L HN 0.108 nan 8.230 nan 0.000 0.443 311 D N -0.945 119.454 120.400 -0.001 0.000 2.377 311 D HA -0.021 4.619 4.640 0.001 0.000 0.245 311 D C 0.687 177.035 176.300 0.081 0.000 1.196 311 D CA -0.404 53.622 54.000 0.044 0.000 0.962 311 D CB 0.697 41.534 40.800 0.063 0.000 1.127 311 D HN 0.622 nan 8.370 nan 0.000 0.471 312 E N -0.561 119.707 120.200 0.113 0.000 2.085 312 E HA -0.287 4.064 4.350 0.001 0.000 0.194 312 E C 1.566 178.270 176.600 0.173 0.000 0.994 312 E CA 0.857 57.363 56.400 0.176 0.000 0.801 312 E CB -0.230 29.583 29.700 0.189 0.000 0.743 312 E HN 0.618 nan 8.360 nan 0.000 0.453 313 Y N 0.399 120.726 120.300 0.046 0.000 2.181 313 Y HA -0.206 4.344 4.550 0.001 0.000 0.288 313 Y C 2.022 177.926 175.900 0.007 0.000 1.146 313 Y CA 1.837 59.948 58.100 0.018 0.000 1.164 313 Y CB -0.359 38.108 38.460 0.012 0.000 0.982 313 Y HN 0.111 nan 8.280 nan 0.000 0.515 314 A N 0.023 122.960 122.820 0.195 0.000 2.014 314 A HA 0.009 4.330 4.320 0.001 0.000 0.218 314 A C 2.322 179.907 177.584 0.002 0.000 1.163 314 A CA 1.373 53.471 52.037 0.101 0.000 0.652 314 A CB -1.246 17.824 19.000 0.118 0.000 0.808 314 A HN 0.578 nan 8.150 nan 0.000 0.449 315 A N 0.106 122.940 122.820 0.022 0.000 1.872 315 A HA -0.096 4.224 4.320 0.001 0.000 0.214 315 A C 2.097 179.687 177.584 0.010 0.000 1.187 315 A CA 1.620 53.688 52.037 0.052 0.000 0.614 315 A CB -0.380 18.718 19.000 0.163 0.000 0.826 315 A HN 0.488 nan 8.150 nan 0.000 0.442 316 K N -0.563 119.793 120.400 -0.073 0.000 2.057 316 K HA -0.172 4.148 4.320 0.001 0.000 0.207 316 K C 2.106 178.534 176.600 -0.285 0.000 1.049 316 K CA 1.572 57.718 56.287 -0.234 0.000 0.931 316 K CB -0.112 32.204 32.500 -0.307 0.000 0.714 316 K HN 0.669 nan 8.250 nan 0.000 0.440 317 E N 0.445 120.437 120.200 -0.346 0.000 2.107 317 E HA -0.142 4.208 4.350 0.001 0.000 0.191 317 E C 1.929 178.243 176.600 -0.477 0.000 0.982 317 E CA 0.806 56.933 56.400 -0.455 0.000 0.809 317 E CB 0.027 29.476 29.700 -0.418 0.000 0.756 317 E HN 0.311 nan 8.360 nan 0.000 0.459 318 A N 1.016 123.729 122.820 -0.178 0.000 1.902 318 A HA -0.174 4.146 4.320 0.001 0.000 0.217 318 A C 2.121 179.698 177.584 -0.010 0.000 1.181 318 A CA 1.148 53.186 52.037 0.001 0.000 0.623 318 A CB -0.600 18.441 19.000 0.069 0.000 0.818 318 A HN 0.297 nan 8.150 nan 0.000 0.443 319 I N -0.251 120.288 120.570 -0.051 0.000 2.163 319 I HA -0.323 3.847 4.170 0.001 0.000 0.243 319 I C 2.980 179.055 176.117 -0.069 0.000 1.085 319 I CA 1.192 62.471 61.300 -0.034 0.000 1.347 319 I CB -0.294 37.670 38.000 -0.059 0.000 1.044 319 I HN 0.371 nan 8.210 nan 0.000 0.408 320 A N -0.056 122.663 122.820 -0.167 0.000 1.933 320 A HA -0.245 4.075 4.320 0.001 0.000 0.218 320 A C 2.136 179.671 177.584 -0.081 0.000 1.175 320 A CA 1.617 53.554 52.037 -0.166 0.000 0.628 320 A CB -0.849 17.996 19.000 -0.259 0.000 0.814 320 A HN 0.436 nan 8.150 nan 0.000 0.444 321 H N -0.141 118.920 119.070 -0.015 0.000 2.389 321 H HA -0.062 4.494 4.556 0.001 0.000 0.299 321 H C 2.264 177.596 175.328 0.007 0.000 1.081 321 H CA 1.821 57.869 56.048 0.000 0.000 1.345 321 H CB -0.900 28.870 29.762 0.013 0.000 1.393 321 H HN 0.466 nan 8.280 nan 0.000 0.520 322 T N 1.186 115.820 114.554 0.133 0.000 2.821 322 T HA -0.043 4.307 4.350 0.001 0.000 0.267 322 T C 2.392 177.121 174.700 0.049 0.000 1.046 322 T CA 0.890 63.040 62.100 0.083 0.000 1.139 322 T CB -0.163 68.754 68.868 0.082 0.000 0.871 322 T HN 0.214 nan 8.240 nan 0.000 0.454 323 I N 1.372 121.962 120.570 0.033 0.000 2.202 323 I HA -0.142 4.029 4.170 0.001 0.000 0.242 323 I C 2.964 179.094 176.117 0.023 0.000 1.091 323 I CA 1.064 62.374 61.300 0.017 0.000 1.368 323 I CB -0.496 37.502 38.000 -0.004 0.000 1.058 323 I HN 0.183 nan 8.210 nan 0.000 0.410 324 A N 0.263 123.105 122.820 0.037 0.000 1.908 324 A HA -0.286 4.034 4.320 0.001 0.000 0.218 324 A C 2.313 179.917 177.584 0.034 0.000 1.181 324 A CA 2.154 54.216 52.037 0.041 0.000 0.627 324 A CB -0.644 18.398 19.000 0.070 0.000 0.818 324 A HN 0.533 nan 8.150 nan 0.000 0.445 325 E N -0.782 119.442 120.200 0.039 0.000 2.158 325 E HA -0.125 4.226 4.350 0.001 0.000 0.191 325 E C 1.893 178.500 176.600 0.012 0.000 0.982 325 E CA 1.603 58.016 56.400 0.022 0.000 0.823 325 E CB 0.012 29.724 29.700 0.020 0.000 0.766 325 E HN 0.735 nan 8.360 nan 0.000 0.468 326 T N -4.409 110.153 114.554 0.014 0.000 3.000 326 T HA 0.277 4.627 4.350 0.001 0.000 0.248 326 T C 1.536 176.242 174.700 0.011 0.000 1.034 326 T CA 0.554 62.660 62.100 0.009 0.000 1.060 326 T CB 0.621 69.494 68.868 0.008 0.000 0.983 326 T HN 0.267 nan 8.240 nan 0.000 0.482 327 G N 1.573 110.380 108.800 0.012 0.000 2.148 327 G HA2 -0.199 3.762 3.960 0.001 0.000 0.254 327 G HA3 -0.199 3.762 3.960 0.001 0.000 0.254 327 G C -0.094 174.812 174.900 0.011 0.000 0.981 327 G CA 0.468 45.574 45.100 0.010 0.000 0.670 327 G HN 0.653 nan 8.290 nan 0.000 0.528 328 L N 0.410 121.640 121.223 0.012 0.000 2.344 328 L HA 0.519 4.859 4.340 0.001 0.000 0.272 328 L C -1.824 175.055 176.870 0.015 0.000 1.035 328 L CA -2.543 52.306 54.840 0.014 0.000 0.807 328 L CB 1.344 43.412 42.059 0.015 0.000 1.237 328 L HN -0.169 nan 8.230 nan 0.000 0.442 329 P HA 0.018 nan 4.420 nan 0.000 0.265 329 P C -0.932 176.382 177.300 0.023 0.000 1.193 329 P CA -0.209 62.902 63.100 0.018 0.000 0.765 329 P CB 0.538 32.252 31.700 0.024 0.000 0.823 330 C N 2.514 121.826 119.300 0.021 0.000 3.090 330 C HA 0.801 5.261 4.460 0.001 0.000 0.347 330 C C -0.684 174.327 174.990 0.035 0.000 1.147 330 C CA 0.250 59.288 59.018 0.033 0.000 1.305 330 C CB 1.051 28.812 27.740 0.034 0.000 1.692 330 C HN 0.749 nan 8.230 nan 0.000 0.506 331 T N 1.739 116.334 114.554 0.068 0.000 2.677 331 T HA 0.394 4.745 4.350 0.001 0.000 0.305 331 T C -2.386 172.408 174.700 0.157 0.000 1.569 331 T CA -0.119 62.046 62.100 0.108 0.000 0.984 331 T CB 1.563 70.500 68.868 0.115 0.000 1.629 331 T HN 0.862 nan 8.240 nan 0.000 0.494 332 D N 1.753 122.310 120.400 0.262 0.000 2.373 332 D HA 0.323 4.963 4.640 0.001 0.000 0.227 332 D C 1.667 178.057 176.300 0.150 0.000 1.091 332 D CA -0.307 53.802 54.000 0.181 0.000 0.840 332 D CB 1.486 42.377 40.800 0.152 0.000 1.060 332 D HN 0.413 nan 8.370 nan 0.000 0.502 333 V N 2.580 122.552 119.914 0.097 0.000 2.548 333 V HA -0.100 4.020 4.120 0.001 0.000 0.249 333 V C 1.839 177.968 176.094 0.059 0.000 1.055 333 V CA 0.820 63.170 62.300 0.084 0.000 1.065 333 V CB -0.604 31.257 31.823 0.064 0.000 0.681 333 V HN 0.390 nan 8.190 nan 0.000 0.462 334 V N 0.301 120.238 119.914 0.038 0.000 2.970 334 V HA -0.005 4.116 4.120 0.001 0.000 0.260 334 V C 2.665 178.725 176.094 -0.056 0.000 1.100 334 V CA 2.332 64.653 62.300 0.034 0.000 1.122 334 V CB -0.807 31.046 31.823 0.049 0.000 0.721 334 V HN 0.624 nan 8.190 nan 0.000 0.483 335 R N -1.642 118.758 120.500 -0.167 0.000 2.287 335 R HA 0.175 4.515 4.340 0.001 0.000 0.197 335 R C 1.085 177.008 176.300 -0.629 0.000 0.900 335 R CA 0.405 56.228 56.100 -0.462 0.000 1.052 335 R CB 0.474 30.354 30.300 -0.701 0.000 1.117 335 R HN 0.437 nan 8.270 nan 0.000 0.568 336 F N -0.028 119.936 119.950 0.022 0.000 2.772 336 F HA 0.469 4.997 4.527 0.001 0.000 0.316 336 F C 0.232 176.042 175.800 0.017 0.000 1.114 336 F CA 0.183 58.191 58.000 0.013 0.000 1.191 336 F CB 1.635 40.637 39.000 0.004 0.000 1.065 336 F HN 0.146 nan 8.300 nan 0.000 0.534 337 G N 0.721 109.605 108.800 0.141 0.000 2.675 337 G HA2 0.183 4.143 3.960 0.001 0.000 0.686 337 G HA3 0.183 4.143 3.960 0.001 0.000 0.686 337 G C 0.360 175.322 174.900 0.103 0.000 1.215 337 G CA -0.494 44.669 45.100 0.105 0.000 0.777 337 G HN 0.489 nan 8.290 nan 0.000 0.638 338 A N 0.153 123.022 122.820 0.081 0.000 2.275 338 A HA 0.292 4.612 4.320 0.001 0.000 0.212 338 A C 1.812 179.439 177.584 0.072 0.000 1.201 338 A CA 1.493 53.575 52.037 0.074 0.000 0.843 338 A CB -0.110 18.925 19.000 0.059 0.000 0.873 338 A HN 0.713 nan 8.150 nan 0.000 0.492 339 D N 0.391 120.830 120.400 0.064 0.000 2.149 339 D HA -0.148 4.492 4.640 0.001 0.000 0.198 339 D C 1.986 178.327 176.300 0.067 0.000 0.990 339 D CA 1.431 55.466 54.000 0.058 0.000 0.839 339 D CB -0.268 40.555 40.800 0.039 0.000 0.948 339 D HN 0.240 nan 8.370 nan 0.000 0.460 340 V N 1.715 121.667 119.914 0.063 0.000 2.231 340 V HA -0.263 3.857 4.120 0.001 0.000 0.248 340 V C 2.698 178.830 176.094 0.062 0.000 1.054 340 V CA 1.500 63.833 62.300 0.055 0.000 1.015 340 V CB -0.547 31.305 31.823 0.048 0.000 0.638 340 V HN 0.208 nan 8.190 nan 0.000 0.444 341 L N -1.118 120.146 121.223 0.069 0.000 2.156 341 L HA -0.124 4.216 4.340 0.001 0.000 0.208 341 L C 2.405 179.331 176.870 0.092 0.000 1.095 341 L CA 0.836 55.719 54.840 0.071 0.000 0.770 341 L CB -0.560 41.539 42.059 0.066 0.000 0.914 341 L HN 0.341 nan 8.230 nan 0.000 0.439 342 L N 0.097 121.389 121.223 0.114 0.000 2.083 342 L HA -0.202 4.138 4.340 0.001 0.000 0.209 342 L C 2.053 179.026 176.870 0.171 0.000 1.083 342 L CA 1.837 56.777 54.840 0.166 0.000 0.752 342 L CB -0.620 41.551 42.059 0.186 0.000 0.899 342 L HN 0.185 nan 8.230 nan 0.000 0.433 343 D N -0.271 120.211 120.400 0.136 0.000 2.117 343 D HA -0.127 4.514 4.640 0.001 0.000 0.198 343 D C 2.203 178.555 176.300 0.086 0.000 0.982 343 D CA 1.432 55.506 54.000 0.122 0.000 0.828 343 D CB -0.123 40.735 40.800 0.096 0.000 0.967 343 D HN 0.468 nan 8.370 nan 0.000 0.464 344 A N 0.996 123.859 122.820 0.070 0.000 1.940 344 A HA -0.086 4.235 4.320 0.001 0.000 0.219 344 A C 1.639 179.251 177.584 0.045 0.000 1.176 344 A CA 0.742 52.809 52.037 0.050 0.000 0.631 344 A CB -0.527 18.498 19.000 0.043 0.000 0.814 344 A HN 0.095 nan 8.150 nan 0.000 0.446 348 N N 0.000 118.699 118.700 -0.001 0.000 1.763 348 N HA 0.000 4.740 4.740 0.001 0.000 0.220 348 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 348 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 348 N HN 0.000 nan 8.380 nan 0.000 0.667