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 2pgw_1_G DATA FIRST_RESID 4 DATA SEQUENCE VKISNVRVRP LVLPLKQPYH WSYGIRESFA VNLIEIEADD GTVGIGECTV DATA SEQUENCE APDQTGTAAI LYRLAKHLVG HSPHDVAPLI ARIFHQEYLG HGANIXRAAN DATA SEQUENCE QIFSGIDXAX WDLQGKLAGL PVHQLLGGAH RKAVGYFYFL QGETAEELAR DATA SEQUENCE DAAVGHAQGE RVFYLKVGRG EKLDLEITAA VRGEIGDARL RLDANEGWSV DATA SEQUENCE HDAINXCRKL EKYDIEFIEQ PTVSWSIPAX AHVREKVGIP IVADQAAFTL DATA SEQUENCE YDVYEICRQR AADXICIGPR EIGGIQPXXK AAAVAEAAGL KICIHSSFTT DATA SEQUENCE GITTCAEHHI GLAIPNLDDG NQIXWQLVQE DIVSSPDLTP KNGWLDAFRK DATA SEQUENCE PGLGFQLAED LVAEGEGRYA AS 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.101 176.094 0.012 0.000 1.182 4 V CA 0.000 62.311 62.300 0.018 0.000 1.235 4 V CB 0.000 31.839 31.823 0.026 0.000 1.184 5 K N 4.220 124.616 120.400 -0.007 0.000 2.444 5 K HA 0.718 5.038 4.320 -0.000 0.000 0.252 5 K C -0.868 175.714 176.600 -0.030 0.000 0.993 5 K CA -0.556 55.721 56.287 -0.017 0.000 0.847 5 K CB 2.153 34.636 32.500 -0.027 0.000 1.340 5 K HN 0.695 nan 8.250 nan 0.000 0.446 6 I N 2.348 122.898 120.570 -0.034 0.000 2.379 6 I HA 0.020 4.189 4.170 -0.000 0.000 0.290 6 I C 0.916 177.010 176.117 -0.038 0.000 1.063 6 I CA 0.184 61.464 61.300 -0.033 0.000 1.351 6 I CB 1.120 39.108 38.000 -0.019 0.000 1.410 6 I HN 0.754 nan 8.210 nan 0.000 0.505 7 S N 4.211 119.894 115.700 -0.028 0.000 2.475 7 S HA 0.195 4.665 4.470 -0.000 0.000 0.224 7 S C 0.421 175.012 174.600 -0.015 0.000 1.042 7 S CA -0.059 58.126 58.200 -0.025 0.000 0.935 7 S CB 0.066 63.255 63.200 -0.019 0.000 0.801 7 S HN 0.716 nan 8.310 nan 0.000 0.509 8 N N -0.267 118.432 118.700 -0.003 0.000 2.494 8 N HA 0.644 5.383 4.740 -0.000 0.000 0.270 8 N C -1.726 173.804 175.510 0.033 0.000 1.285 8 N CA -0.653 52.407 53.050 0.017 0.000 0.812 8 N CB 2.668 41.170 38.487 0.026 0.000 1.557 8 N HN 0.259 nan 8.380 nan 0.000 0.487 9 V N -1.767 118.187 119.914 0.067 0.000 2.841 9 V HA 0.879 4.999 4.120 -0.000 0.000 0.310 9 V C -1.107 175.105 176.094 0.198 0.000 1.090 9 V CA -0.930 61.429 62.300 0.099 0.000 0.930 9 V CB 1.988 33.849 31.823 0.063 0.000 1.014 9 V HN 0.871 nan 8.190 nan 0.000 0.425 10 R N 2.001 122.601 120.500 0.166 0.000 2.626 10 R HA 0.879 5.219 4.340 -0.000 0.000 0.274 10 R C -2.221 174.132 176.300 0.089 0.000 1.031 10 R CA -0.812 55.368 56.100 0.134 0.000 0.898 10 R CB 2.216 32.548 30.300 0.052 0.000 1.222 10 R HN 0.550 nan 8.270 nan 0.000 0.455 11 V N 2.765 122.690 119.914 0.017 0.000 2.459 11 V HA 0.527 4.646 4.120 -0.000 0.000 0.295 11 V C -0.125 175.918 176.094 -0.085 0.000 1.029 11 V CA -0.813 61.479 62.300 -0.013 0.000 0.874 11 V CB 1.725 33.550 31.823 0.003 0.000 0.985 11 V HN 0.662 nan 8.190 nan 0.000 0.438 12 R N 4.752 125.206 120.500 -0.078 0.000 2.358 12 R HA 0.370 4.710 4.340 -0.000 0.000 0.309 12 R C -2.903 173.298 176.300 -0.165 0.000 1.026 12 R CA -1.773 54.266 56.100 -0.102 0.000 0.909 12 R CB 1.990 32.258 30.300 -0.053 0.000 1.153 12 R HN 0.421 nan 8.270 nan 0.000 0.515 13 P HA 0.166 nan 4.420 nan 0.000 0.276 13 P C -0.611 176.471 177.300 -0.363 0.000 1.235 13 P CA 0.074 62.860 63.100 -0.523 0.000 0.772 13 P CB 0.760 31.715 31.700 -1.241 0.000 0.871 14 L N 2.489 123.593 121.223 -0.198 0.000 2.333 14 L HA 0.706 5.046 4.340 -0.000 0.000 0.263 14 L C -0.657 176.226 176.870 0.022 0.000 1.014 14 L CA -1.288 53.526 54.840 -0.043 0.000 0.820 14 L CB 2.268 44.314 42.059 -0.022 0.000 1.352 14 L HN -0.018 nan 8.230 nan 0.000 0.421 15 V N 3.115 123.073 119.914 0.073 0.000 2.447 15 V HA 0.451 4.571 4.120 -0.000 0.000 0.292 15 V C -0.446 175.678 176.094 0.049 0.000 1.021 15 V CA -0.283 62.065 62.300 0.079 0.000 0.850 15 V CB 1.851 33.738 31.823 0.108 0.000 1.005 15 V HN 0.478 nan 8.190 nan 0.000 0.426 16 L N 6.791 128.040 121.223 0.043 0.000 2.325 16 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 16 L C -2.618 174.227 176.870 -0.042 0.000 1.004 16 L CA -1.823 53.026 54.840 0.015 0.000 0.823 16 L CB 2.262 44.344 42.059 0.038 0.000 1.236 16 L HN 0.365 nan 8.230 nan 0.000 0.415 17 P HA 0.164 nan 4.420 nan 0.000 0.269 17 P C -0.592 176.606 177.300 -0.169 0.000 1.209 17 P CA -0.035 63.004 63.100 -0.101 0.000 0.776 17 P CB 0.673 32.337 31.700 -0.061 0.000 0.876 18 L N 2.585 123.666 121.223 -0.237 0.000 2.416 18 L HA 0.307 4.647 4.340 -0.000 0.000 0.262 18 L C 1.765 178.541 176.870 -0.158 0.000 1.093 18 L CA -0.559 54.106 54.840 -0.291 0.000 0.801 18 L CB 0.551 42.368 42.059 -0.404 0.000 1.191 18 L HN 0.381 nan 8.230 nan 0.000 0.459 19 K N 0.142 120.462 120.400 -0.134 0.000 2.057 19 K HA -0.119 4.200 4.320 -0.000 0.000 0.207 19 K C 0.151 176.717 176.600 -0.058 0.000 1.049 19 K CA 1.256 57.496 56.287 -0.079 0.000 0.931 19 K CB 0.052 32.509 32.500 -0.072 0.000 0.714 19 K HN 0.597 nan 8.250 nan 0.000 0.440 20 Q N -0.128 119.640 119.800 -0.054 0.000 2.456 20 Q HA 0.399 4.739 4.340 -0.000 0.000 0.284 20 Q C -3.033 172.959 176.000 -0.013 0.000 1.061 20 Q CA -2.451 53.338 55.803 -0.024 0.000 0.799 20 Q CB 1.636 30.372 28.738 -0.003 0.000 1.445 20 Q HN -0.271 nan 8.270 nan 0.000 0.411 21 P HA -0.095 nan 4.420 nan 0.000 0.264 21 P C -1.711 175.615 177.300 0.042 0.000 1.183 21 P CA 0.381 63.467 63.100 -0.023 0.000 0.763 21 P CB 0.018 31.671 31.700 -0.078 0.000 0.807 22 Y N 3.295 123.549 120.300 -0.077 0.000 2.353 22 Y HA 0.261 4.811 4.550 -0.000 0.000 0.340 22 Y C 0.141 176.083 175.900 0.069 0.000 0.972 22 Y CA -0.618 57.496 58.100 0.023 0.000 1.157 22 Y CB 0.335 38.773 38.460 -0.036 0.000 1.157 22 Y HN 0.433 nan 8.280 nan 0.000 0.495 23 H N 6.411 125.372 119.070 -0.183 0.000 2.800 23 H HA 0.133 4.689 4.556 -0.001 0.000 0.291 23 H C -0.438 174.960 175.328 0.117 0.000 1.076 23 H CA 0.032 56.080 56.048 0.001 0.000 1.452 23 H CB 0.168 29.875 29.762 -0.091 0.000 1.461 23 H HN 0.676 nan 8.280 nan 0.000 0.488 24 W N 1.080 122.438 121.300 0.097 0.000 3.164 24 W HA 0.344 5.003 4.660 -0.000 0.000 0.325 24 W C 0.477 177.050 176.519 0.091 0.000 1.228 24 W CA -1.437 56.003 57.345 0.158 0.000 1.024 24 W CB 0.182 29.802 29.460 0.268 0.000 1.534 24 W HN 0.373 nan 8.180 nan 0.000 0.614 25 S N 0.314 116.025 115.700 0.018 0.000 2.423 25 S HA -0.255 4.214 4.470 -0.000 0.000 0.238 25 S C 0.891 174.910 174.600 -0.968 0.000 1.028 25 S CA 1.817 59.777 58.200 -0.399 0.000 1.000 25 S CB -0.498 62.547 63.200 -0.259 0.000 0.797 25 S HN 0.462 nan 8.310 nan 0.000 0.487 26 Y N 0.470 120.047 120.300 -1.204 0.000 2.612 26 Y HA 0.481 5.031 4.550 -0.000 0.000 0.250 26 Y C 1.320 176.794 175.900 -0.710 0.000 1.175 26 Y CA 0.027 57.532 58.100 -0.992 0.000 1.205 26 Y CB 0.732 38.505 38.460 -1.145 0.000 1.201 26 Y HN 0.335 nan 8.280 nan 0.000 0.532 27 G N 0.928 109.408 108.800 -0.533 0.000 2.233 27 G HA2 0.011 3.970 3.960 -0.000 0.000 0.162 27 G HA3 0.011 3.970 3.960 -0.000 0.000 0.162 27 G C -1.409 173.543 174.900 0.087 0.000 1.327 27 G CA -0.457 44.566 45.100 -0.129 0.000 1.187 27 G HN 0.160 nan 8.290 nan 0.000 0.479 28 I N -1.477 119.188 120.570 0.157 0.000 2.465 28 I HA 0.880 5.050 4.170 -0.000 0.000 0.291 28 I C -0.320 175.926 176.117 0.215 0.000 1.014 28 I CA -1.076 60.277 61.300 0.088 0.000 1.093 28 I CB 2.160 40.051 38.000 -0.182 0.000 1.267 28 I HN 0.585 nan 8.210 nan 0.000 0.431 29 R N 4.000 124.591 120.500 0.152 0.000 2.294 29 R HA 0.355 4.695 4.340 -0.000 0.000 0.319 29 R C 0.036 176.309 176.300 -0.044 0.000 0.984 29 R CA -0.282 55.812 56.100 -0.010 0.000 0.861 29 R CB 1.256 31.413 30.300 -0.238 0.000 1.104 29 R HN 0.774 nan 8.270 nan 0.000 0.451 30 E N 1.343 121.507 120.200 -0.059 0.000 2.474 30 E HA 0.085 4.434 4.350 -0.000 0.000 0.195 30 E C -0.645 175.873 176.600 -0.138 0.000 1.039 30 E CA -0.012 56.339 56.400 -0.083 0.000 0.881 30 E CB 0.691 30.363 29.700 -0.045 0.000 0.970 30 E HN 0.663 nan 8.360 nan 0.000 0.486 31 S N -0.776 114.823 115.700 -0.169 0.000 2.578 31 S HA 0.458 4.928 4.470 -0.000 0.000 0.272 31 S C -1.098 173.451 174.600 -0.085 0.000 1.145 31 S CA -1.005 57.081 58.200 -0.190 0.000 0.835 31 S CB 0.770 63.923 63.200 -0.079 0.000 1.104 31 S HN -0.073 nan 8.310 nan 0.000 0.458 32 F N 0.826 120.708 119.950 -0.113 0.000 2.497 32 F HA 0.902 5.429 4.527 -0.001 0.000 0.331 32 F C 0.708 176.468 175.800 -0.067 0.000 1.060 32 F CA -0.861 57.068 58.000 -0.119 0.000 0.989 32 F CB 1.825 40.776 39.000 -0.080 0.000 1.245 32 F HN 1.089 nan 8.300 nan 0.000 0.486 33 A N 1.204 124.111 122.820 0.144 0.000 2.381 33 A HA 0.780 5.099 4.320 -0.000 0.000 0.299 33 A C -1.308 176.284 177.584 0.013 0.000 1.049 33 A CA -0.592 51.482 52.037 0.063 0.000 0.715 33 A CB 1.305 20.333 19.000 0.047 0.000 1.222 33 A HN 0.822 nan 8.150 nan 0.000 0.428 34 V N -0.405 119.502 119.914 -0.011 0.000 3.102 34 V HA 0.751 4.871 4.120 -0.000 0.000 0.312 34 V C -0.980 175.069 176.094 -0.075 0.000 1.135 34 V CA -1.239 61.038 62.300 -0.039 0.000 1.022 34 V CB 2.333 34.138 31.823 -0.029 0.000 1.056 34 V HN 0.681 nan 8.190 nan 0.000 0.436 35 N N 2.232 120.890 118.700 -0.070 0.000 2.518 35 N HA 0.562 5.302 4.740 -0.000 0.000 0.254 35 N C -0.752 174.729 175.510 -0.049 0.000 0.979 35 N CA -0.263 52.734 53.050 -0.087 0.000 0.930 35 N CB 1.679 40.118 38.487 -0.080 0.000 1.152 35 N HN 0.727 nan 8.380 nan 0.000 0.505 36 L N 1.783 122.977 121.223 -0.049 0.000 2.417 36 L HA 0.393 4.732 4.340 -0.000 0.000 0.268 36 L C 0.211 177.086 176.870 0.009 0.000 1.158 36 L CA -0.456 54.375 54.840 -0.014 0.000 0.819 36 L CB 0.564 42.615 42.059 -0.013 0.000 1.112 36 L HN 0.380 nan 8.230 nan 0.000 0.458 37 I N 1.923 122.517 120.570 0.040 0.000 2.447 37 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 37 I C -0.805 175.355 176.117 0.071 0.000 1.023 37 I CA -0.101 61.236 61.300 0.062 0.000 1.083 37 I CB 1.665 39.709 38.000 0.072 0.000 1.245 37 I HN 0.539 nan 8.210 nan 0.000 0.434 38 E N 7.926 128.166 120.200 0.068 0.000 2.176 38 E HA 0.527 4.876 4.350 -0.000 0.000 0.267 38 E C -1.049 175.583 176.600 0.053 0.000 0.893 38 E CA -0.586 55.851 56.400 0.061 0.000 0.761 38 E CB 2.336 32.067 29.700 0.052 0.000 1.133 38 E HN 0.509 nan 8.360 nan 0.000 0.409 39 I N 2.669 123.261 120.570 0.036 0.000 2.354 39 I HA 0.183 4.353 4.170 -0.000 0.000 0.286 39 I C -0.088 176.028 176.117 -0.002 0.000 1.007 39 I CA -0.462 60.849 61.300 0.019 0.000 1.167 39 I CB 1.304 39.308 38.000 0.006 0.000 1.320 39 I HN 0.505 nan 8.210 nan 0.000 0.458 40 E N 6.025 126.225 120.200 0.000 0.000 2.175 40 E HA 0.670 5.020 4.350 -0.000 0.000 0.278 40 E C -0.789 175.799 176.600 -0.020 0.000 0.969 40 E CA -0.605 55.790 56.400 -0.010 0.000 0.796 40 E CB 1.648 31.348 29.700 -0.000 0.000 1.104 40 E HN 0.707 nan 8.360 nan 0.000 0.395 41 A N 3.388 126.190 122.820 -0.029 0.000 2.271 41 A HA 0.168 4.488 4.320 -0.000 0.000 0.288 41 A C 0.385 177.955 177.584 -0.023 0.000 1.094 41 A CA -0.180 51.838 52.037 -0.032 0.000 0.828 41 A CB 0.471 19.446 19.000 -0.042 0.000 1.091 41 A HN 0.879 nan 8.150 nan 0.000 0.493 42 D N -0.195 120.193 120.400 -0.021 0.000 2.392 42 D HA -0.124 4.516 4.640 -0.000 0.000 0.228 42 D C 0.561 176.853 176.300 -0.013 0.000 1.003 42 D CA 1.068 55.058 54.000 -0.016 0.000 0.917 42 D CB -0.002 40.788 40.800 -0.017 0.000 0.890 42 D HN 0.581 nan 8.370 nan 0.000 0.532 43 D N -0.912 119.479 120.400 -0.014 0.000 2.360 43 D HA 0.122 4.762 4.640 -0.000 0.000 0.210 43 D C 1.680 177.972 176.300 -0.013 0.000 1.047 43 D CA 0.627 54.620 54.000 -0.012 0.000 0.854 43 D CB 0.050 40.843 40.800 -0.011 0.000 0.936 43 D HN 0.314 nan 8.370 nan 0.000 0.514 44 G N -0.046 108.745 108.800 -0.015 0.000 2.238 44 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 44 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 44 G C 0.445 175.334 174.900 -0.019 0.000 0.996 44 G CA 0.152 45.243 45.100 -0.015 0.000 0.632 44 G HN 0.424 nan 8.290 nan 0.000 0.503 45 T N 1.322 115.861 114.554 -0.025 0.000 2.928 45 T HA 0.462 4.812 4.350 -0.000 0.000 0.305 45 T C 0.192 174.870 174.700 -0.036 0.000 1.035 45 T CA 0.470 62.549 62.100 -0.035 0.000 1.145 45 T CB 2.223 71.065 68.868 -0.042 0.000 0.963 45 T HN 0.675 nan 8.240 nan 0.000 0.545 46 V N 2.458 122.350 119.914 -0.038 0.000 2.531 46 V HA 0.679 4.799 4.120 -0.000 0.000 0.301 46 V C 0.611 176.682 176.094 -0.039 0.000 1.034 46 V CA -0.983 61.301 62.300 -0.027 0.000 0.865 46 V CB 1.944 33.762 31.823 -0.008 0.000 0.995 46 V HN 1.045 nan 8.190 nan 0.000 0.424 47 G N 4.462 113.244 108.800 -0.029 0.000 2.356 47 G HA2 0.773 4.733 3.960 -0.000 0.000 0.322 47 G HA3 0.773 4.733 3.960 -0.000 0.000 0.322 47 G C -0.898 174.023 174.900 0.036 0.000 1.125 47 G CA -0.474 44.610 45.100 -0.027 0.000 0.885 47 G HN 0.603 nan 8.290 nan 0.000 0.467 48 I N 1.057 121.682 120.570 0.091 0.000 2.569 48 I HA 0.737 4.907 4.170 -0.000 0.000 0.296 48 I C 0.605 176.885 176.117 0.272 0.000 1.028 48 I CA -0.703 60.719 61.300 0.204 0.000 1.082 48 I CB 2.520 40.719 38.000 0.332 0.000 1.264 48 I HN 0.672 nan 8.210 nan 0.000 0.429 49 G N 3.613 112.519 108.800 0.178 0.000 2.788 49 G HA2 0.792 4.752 3.960 -0.000 0.000 0.293 49 G HA3 0.792 4.752 3.960 -0.000 0.000 0.293 49 G C -1.853 173.091 174.900 0.073 0.000 1.392 49 G CA -0.459 44.727 45.100 0.144 0.000 0.810 49 G HN 0.702 nan 8.290 nan 0.000 0.508 50 E N -2.144 118.082 120.200 0.043 0.000 2.390 50 E HA 0.589 4.938 4.350 -0.000 0.000 0.280 50 E C -1.653 174.948 176.600 0.002 0.000 0.992 50 E CA -0.892 55.512 56.400 0.007 0.000 0.790 50 E CB 1.560 31.244 29.700 -0.027 0.000 1.248 50 E HN 0.532 nan 8.360 nan 0.000 0.447 51 C N 1.338 120.631 119.300 -0.011 0.000 2.614 51 C HA 0.700 5.160 4.460 -0.000 0.000 0.320 51 C C 0.347 175.319 174.990 -0.030 0.000 1.200 51 C CA -0.333 58.677 59.018 -0.014 0.000 1.700 51 C CB 1.470 29.206 27.740 -0.006 0.000 2.275 51 C HN 0.851 nan 8.230 nan 0.000 0.492 52 T N -0.568 113.967 114.554 -0.032 0.000 2.828 52 T HA 0.367 4.717 4.350 -0.000 0.000 0.290 52 T C 0.769 175.460 174.700 -0.014 0.000 1.019 52 T CA -0.039 62.039 62.100 -0.038 0.000 1.031 52 T CB 0.773 69.615 68.868 -0.043 0.000 1.001 52 T HN 1.044 nan 8.240 nan 0.000 0.531 53 V N -2.680 117.229 119.914 -0.010 0.000 3.605 53 V HA 0.608 4.728 4.120 -0.000 0.000 0.284 53 V C 1.160 177.268 176.094 0.023 0.000 1.386 53 V CA -0.037 62.265 62.300 0.002 0.000 1.053 53 V CB -1.121 30.698 31.823 -0.006 0.000 0.857 53 V HN 1.168 nan 8.190 nan 0.000 0.436 54 A N 2.924 125.764 122.820 0.033 0.000 2.555 54 A HA 0.402 4.722 4.320 -0.000 0.000 0.233 54 A C -0.546 177.073 177.584 0.058 0.000 1.060 54 A CA 0.147 52.214 52.037 0.050 0.000 0.759 54 A CB -0.327 18.716 19.000 0.073 0.000 0.995 54 A HN 0.499 nan 8.150 nan 0.000 0.506 55 P HA 0.143 nan 4.420 nan 0.000 0.255 55 P C -0.564 176.765 177.300 0.048 0.000 1.248 55 P CA 0.739 63.873 63.100 0.058 0.000 0.807 55 P CB 0.103 31.838 31.700 0.058 0.000 1.150 56 D N -0.682 119.746 120.400 0.046 0.000 2.548 56 D HA 0.034 4.674 4.640 -0.000 0.000 0.214 56 D C 0.918 177.249 176.300 0.053 0.000 1.345 56 D CA -0.401 53.629 54.000 0.050 0.000 0.945 56 D CB 1.099 41.928 40.800 0.047 0.000 1.499 56 D HN -0.283 nan 8.370 nan 0.000 0.579 57 Q N 1.714 121.553 119.800 0.064 0.000 2.112 57 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 57 Q C 0.957 176.994 176.000 0.061 0.000 0.987 57 Q CA 2.397 58.233 55.803 0.054 0.000 0.858 57 Q CB 0.135 28.924 28.738 0.084 0.000 0.905 57 Q HN 0.603 nan 8.270 nan 0.000 0.420 58 T N -0.357 114.278 114.554 0.135 0.000 2.708 58 T HA -0.105 4.244 4.350 -0.000 0.000 0.266 58 T C 1.626 176.369 174.700 0.071 0.000 1.037 58 T CA 1.186 63.373 62.100 0.144 0.000 1.146 58 T CB -0.768 68.196 68.868 0.160 0.000 0.865 58 T HN 0.608 nan 8.240 nan 0.000 0.435 59 G N 1.751 110.585 108.800 0.057 0.000 2.421 59 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 59 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 59 G C 1.840 176.758 174.900 0.031 0.000 1.171 59 G CA 1.700 46.823 45.100 0.039 0.000 0.775 59 G HN 0.614 nan 8.290 nan 0.000 0.543 60 T N -1.018 113.553 114.554 0.029 0.000 3.035 60 T HA 0.315 4.665 4.350 -0.000 0.000 0.268 60 T C 2.421 177.128 174.700 0.011 0.000 1.109 60 T CA 1.447 63.560 62.100 0.021 0.000 1.119 60 T CB -0.083 68.797 68.868 0.020 0.000 0.900 60 T HN 0.323 nan 8.240 nan 0.000 0.503 61 A N 1.542 124.362 122.820 0.001 0.000 1.929 61 A HA 0.511 4.830 4.320 -0.000 0.000 0.216 61 A C 2.769 180.373 177.584 0.033 0.000 1.176 61 A CA 1.295 53.322 52.037 -0.016 0.000 0.628 61 A CB -1.218 17.738 19.000 -0.074 0.000 0.816 61 A HN 0.676 nan 8.150 nan 0.000 0.444 62 A N 0.093 122.939 122.820 0.043 0.000 1.898 62 A HA -0.040 4.279 4.320 -0.000 0.000 0.216 62 A C 2.101 179.731 177.584 0.077 0.000 1.181 62 A CA 1.428 53.509 52.037 0.074 0.000 0.620 62 A CB -0.561 18.470 19.000 0.050 0.000 0.819 62 A HN 0.480 nan 8.150 nan 0.000 0.442 63 I N -0.802 119.790 120.570 0.036 0.000 2.142 63 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 63 I C 2.450 178.578 176.117 0.017 0.000 1.078 63 I CA 1.307 62.612 61.300 0.008 0.000 1.343 63 I CB -0.334 37.666 38.000 -0.000 0.000 1.046 63 I HN 0.407 nan 8.210 nan 0.000 0.405 64 L N 0.332 121.573 121.223 0.030 0.000 2.042 64 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 64 L C 2.495 179.418 176.870 0.090 0.000 1.076 64 L CA 2.017 56.876 54.840 0.033 0.000 0.749 64 L CB -1.041 41.038 42.059 0.034 0.000 0.893 64 L HN 0.230 nan 8.230 nan 0.000 0.432 65 Y N 0.504 120.795 120.300 -0.016 0.000 2.181 65 Y HA -0.243 4.307 4.550 -0.001 0.000 0.288 65 Y C 2.917 178.810 175.900 -0.011 0.000 1.146 65 Y CA 2.183 60.276 58.100 -0.012 0.000 1.164 65 Y CB -0.374 38.075 38.460 -0.019 0.000 0.982 65 Y HN 0.279 nan 8.280 nan 0.000 0.515 66 R N 0.008 120.478 120.500 -0.050 0.000 2.091 66 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 66 R C 2.142 178.393 176.300 -0.080 0.000 1.136 66 R CA 1.998 58.015 56.100 -0.139 0.000 0.959 66 R CB -0.457 29.816 30.300 -0.045 0.000 0.856 66 R HN 0.452 nan 8.270 nan 0.000 0.437 67 L N -0.018 121.230 121.223 0.043 0.000 2.056 67 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 67 L C 2.724 179.712 176.870 0.197 0.000 1.078 67 L CA 1.132 56.100 54.840 0.213 0.000 0.749 67 L CB -0.649 41.463 42.059 0.087 0.000 0.901 67 L HN 0.321 nan 8.230 nan 0.000 0.433 68 A N 0.344 123.198 122.820 0.057 0.000 1.972 68 A HA -0.198 4.121 4.320 -0.000 0.000 0.219 68 A C 2.291 179.852 177.584 -0.038 0.000 1.169 68 A CA 1.456 53.519 52.037 0.044 0.000 0.635 68 A CB -0.343 18.681 19.000 0.040 0.000 0.810 68 A HN 0.313 nan 8.150 nan 0.000 0.446 69 K N -0.867 119.394 120.400 -0.231 0.000 2.211 69 K HA -0.151 4.168 4.320 -0.000 0.000 0.204 69 K C 1.641 178.140 176.600 -0.168 0.000 1.047 69 K CA 1.201 57.307 56.287 -0.301 0.000 0.935 69 K CB -0.305 31.886 32.500 -0.516 0.000 0.728 69 K HN 0.610 nan 8.250 nan 0.000 0.452 70 H N 0.580 119.648 119.070 -0.003 0.000 2.489 70 H HA -0.047 4.509 4.556 -0.000 0.000 0.293 70 H C 1.971 177.397 175.328 0.163 0.000 1.066 70 H CA 0.912 57.008 56.048 0.081 0.000 1.305 70 H CB 0.059 29.887 29.762 0.110 0.000 1.386 70 H HN 0.182 nan 8.280 nan 0.000 0.551 71 L N 0.395 121.751 121.223 0.221 0.000 2.156 71 L HA -0.037 4.302 4.340 -0.000 0.000 0.208 71 L C 0.838 177.781 176.870 0.122 0.000 1.095 71 L CA 0.084 55.051 54.840 0.211 0.000 0.770 71 L CB -0.086 42.044 42.059 0.119 0.000 0.914 71 L HN -0.097 nan 8.230 nan 0.000 0.439 72 V N 1.488 121.411 119.914 0.016 0.000 2.584 72 V HA 0.095 4.214 4.120 -0.000 0.000 0.303 72 V C 1.322 177.294 176.094 -0.202 0.000 1.035 72 V CA 1.352 63.611 62.300 -0.068 0.000 1.172 72 V CB 0.004 31.784 31.823 -0.072 0.000 0.896 72 V HN 0.670 nan 8.190 nan 0.000 0.486 73 G N 3.312 111.983 108.800 -0.215 0.000 2.176 73 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.232 73 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.232 73 G C 0.092 174.735 174.900 -0.427 0.000 0.986 73 G CA 0.030 44.929 45.100 -0.333 0.000 0.643 73 G HN 0.742 nan 8.290 nan 0.000 0.522 74 H N -0.057 119.012 119.070 -0.003 0.000 2.754 74 H HA 0.733 5.288 4.556 -0.000 0.000 0.352 74 H C 0.120 175.435 175.328 -0.022 0.000 1.213 74 H CA 0.052 56.096 56.048 -0.006 0.000 1.244 74 H CB 1.333 31.096 29.762 0.001 0.000 1.843 74 H HN 0.188 nan 8.280 nan 0.000 0.587 75 S N 1.833 117.609 115.700 0.126 0.000 2.545 75 S HA 0.114 4.583 4.470 -0.000 0.000 0.275 75 S C -1.516 173.052 174.600 -0.052 0.000 1.299 75 S CA -1.403 56.821 58.200 0.040 0.000 1.048 75 S CB 0.589 63.837 63.200 0.079 0.000 0.938 75 S HN 0.441 nan 8.310 nan 0.000 0.496 76 P HA -0.044 nan 4.420 nan 0.000 0.234 76 P C 0.412 177.413 177.300 -0.498 0.000 1.167 76 P CA 0.826 63.726 63.100 -0.334 0.000 0.763 76 P CB -0.078 31.390 31.700 -0.388 0.000 0.835 77 H N -0.523 118.444 119.070 -0.172 0.000 2.539 77 H HA 0.122 4.678 4.556 -0.001 0.000 0.269 77 H C 0.183 175.405 175.328 -0.176 0.000 0.980 77 H CA 0.391 56.315 56.048 -0.206 0.000 1.152 77 H CB 0.197 29.883 29.762 -0.126 0.000 1.407 77 H HN 0.172 nan 8.280 nan 0.000 0.564 78 D N 0.704 121.063 120.400 -0.068 0.000 2.559 78 D HA -0.001 4.639 4.640 -0.000 0.000 0.234 78 D C 1.850 178.090 176.300 -0.100 0.000 1.226 78 D CA -0.069 53.894 54.000 -0.061 0.000 0.830 78 D CB 0.627 41.404 40.800 -0.040 0.000 1.028 78 D HN 0.057 nan 8.370 nan 0.000 0.492 79 V N 1.168 120.980 119.914 -0.171 0.000 2.278 79 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 79 V C 2.117 178.165 176.094 -0.078 0.000 1.062 79 V CA 2.652 64.857 62.300 -0.159 0.000 1.038 79 V CB -0.220 31.417 31.823 -0.309 0.000 0.646 79 V HN 0.277 nan 8.190 nan 0.000 0.447 80 A N 1.135 123.935 122.820 -0.032 0.000 1.845 80 A HA -0.075 4.244 4.320 -0.000 0.000 0.215 80 A C 0.834 178.386 177.584 -0.054 0.000 1.195 80 A CA 1.994 54.025 52.037 -0.010 0.000 0.616 80 A CB -2.087 16.939 19.000 0.042 0.000 0.832 80 A HN 0.665 nan 8.150 nan 0.000 0.443 81 P HA -0.089 nan 4.420 nan 0.000 0.219 81 P C 1.592 178.841 177.300 -0.084 0.000 1.150 81 P CA 0.838 63.900 63.100 -0.062 0.000 0.814 81 P CB -0.143 31.523 31.700 -0.056 0.000 0.787 82 L N -0.667 120.499 121.223 -0.095 0.000 2.017 82 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 82 L C 2.844 179.663 176.870 -0.086 0.000 1.073 82 L CA 1.377 56.158 54.840 -0.099 0.000 0.745 82 L CB -0.740 41.271 42.059 -0.079 0.000 0.894 82 L HN -0.153 nan 8.230 nan 0.000 0.432 83 I N -0.408 120.075 120.570 -0.145 0.000 2.226 83 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 83 I C 2.782 178.689 176.117 -0.349 0.000 1.100 83 I CA 1.070 62.149 61.300 -0.369 0.000 1.374 83 I CB -0.462 37.233 38.000 -0.508 0.000 1.057 83 I HN 0.222 nan 8.210 nan 0.000 0.413 84 A N 0.947 123.665 122.820 -0.170 0.000 1.883 84 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 84 A C 2.446 180.065 177.584 0.057 0.000 1.186 84 A CA 1.997 54.018 52.037 -0.027 0.000 0.624 84 A CB -0.690 18.295 19.000 -0.025 0.000 0.822 84 A HN 0.376 nan 8.150 nan 0.000 0.444 85 R N -0.221 120.282 120.500 0.004 0.000 2.073 85 R HA -0.096 4.243 4.340 -0.000 0.000 0.234 85 R C 1.998 178.340 176.300 0.070 0.000 1.134 85 R CA 1.881 57.998 56.100 0.028 0.000 0.952 85 R CB -0.458 29.821 30.300 -0.035 0.000 0.850 85 R HN 0.531 nan 8.270 nan 0.000 0.433 86 I N 0.446 121.050 120.570 0.056 0.000 2.208 86 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 86 I C 2.276 178.640 176.117 0.412 0.000 1.097 86 I CA 1.174 62.546 61.300 0.121 0.000 1.363 86 I CB -0.417 37.753 38.000 0.283 0.000 1.051 86 I HN 0.212 nan 8.210 nan 0.000 0.413 87 F N 1.378 121.499 119.950 0.286 0.000 2.102 87 F HA -0.270 4.257 4.527 -0.001 0.000 0.298 87 F C 2.594 178.605 175.800 0.351 0.000 1.105 87 F CA 2.110 60.360 58.000 0.417 0.000 1.239 87 F CB -0.765 38.295 39.000 0.102 0.000 0.991 87 F HN 0.084 nan 8.300 nan 0.000 0.474 88 H N -0.284 118.796 119.070 0.016 0.000 2.389 88 H HA -0.099 4.456 4.556 -0.001 0.000 0.299 88 H C 2.376 177.687 175.328 -0.030 0.000 1.081 88 H CA 2.206 58.181 56.048 -0.122 0.000 1.345 88 H CB -0.214 29.508 29.762 -0.066 0.000 1.393 88 H HN 0.480 nan 8.280 nan 0.000 0.520 89 Q N -0.279 119.549 119.800 0.047 0.000 2.062 89 Q HA -0.082 4.258 4.340 -0.000 0.000 0.196 89 Q C 1.485 177.545 176.000 0.100 0.000 0.967 89 Q CA 1.120 56.929 55.803 0.010 0.000 0.832 89 Q CB 0.342 29.074 28.738 -0.011 0.000 0.899 89 Q HN 0.486 nan 8.270 nan 0.000 0.442 90 E N -1.004 119.261 120.200 0.108 0.000 2.385 90 E HA -0.045 4.304 4.350 -0.000 0.000 0.194 90 E C 0.807 177.311 176.600 -0.159 0.000 1.013 90 E CA 0.564 56.954 56.400 -0.016 0.000 0.866 90 E CB 0.364 30.026 29.700 -0.064 0.000 0.832 90 E HN 0.433 nan 8.360 nan 0.000 0.500 91 Y N -0.220 120.115 120.300 0.059 0.000 2.808 91 Y HA 0.140 4.690 4.550 -0.001 0.000 0.244 91 Y C 2.264 178.111 175.900 -0.088 0.000 1.033 91 Y CA -0.044 58.059 58.100 0.005 0.000 1.415 91 Y CB -0.286 38.205 38.460 0.051 0.000 1.420 91 Y HN -0.184 nan 8.280 nan 0.000 0.484 92 L N -0.273 120.865 121.223 -0.143 0.000 2.042 92 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 92 L C 2.411 179.126 176.870 -0.257 0.000 1.076 92 L CA 1.566 56.248 54.840 -0.262 0.000 0.749 92 L CB -1.189 40.624 42.059 -0.410 0.000 0.893 92 L HN 0.434 nan 8.230 nan 0.000 0.432 93 G N -1.172 107.428 108.800 -0.334 0.000 2.498 93 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 93 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 93 G C 0.890 175.557 174.900 -0.389 0.000 1.119 93 G CA 0.536 45.406 45.100 -0.383 0.000 0.766 93 G HN 0.500 nan 8.290 nan 0.000 0.552 94 H N -1.387 117.609 119.070 -0.125 0.000 2.594 94 H HA 0.378 4.934 4.556 -0.001 0.000 0.279 94 H C 1.889 177.184 175.328 -0.055 0.000 1.042 94 H CA 0.062 56.063 56.048 -0.078 0.000 1.177 94 H CB 0.672 30.391 29.762 -0.071 0.000 1.524 94 H HN 0.290 nan 8.280 nan 0.000 0.537 95 G N 0.490 109.300 108.800 0.017 0.000 2.179 95 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 95 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 95 G C 0.591 175.518 174.900 0.044 0.000 0.977 95 G CA 0.152 45.259 45.100 0.012 0.000 0.641 95 G HN 0.637 nan 8.290 nan 0.000 0.533 96 A N 0.619 123.491 122.820 0.086 0.000 3.015 96 A HA 0.557 4.876 4.320 -0.000 0.000 0.293 96 A C 0.689 178.368 177.584 0.158 0.000 1.572 96 A CA -0.235 51.881 52.037 0.132 0.000 1.274 96 A CB -0.421 18.686 19.000 0.178 0.000 1.156 96 A HN 0.443 nan 8.150 nan 0.000 0.562 97 N N 2.649 121.406 118.700 0.094 0.000 3.210 97 N HA 0.161 4.900 4.740 -0.000 0.000 0.314 97 N C 0.216 175.818 175.510 0.153 0.000 1.291 97 N CA 0.058 53.166 53.050 0.097 0.000 1.202 97 N CB -0.012 38.504 38.487 0.047 0.000 1.475 97 N HN 0.811 nan 8.380 nan 0.000 0.554 101 A N 1.477 124.337 122.820 0.067 0.000 1.930 101 A HA 0.064 4.383 4.320 -0.000 0.000 0.217 101 A C 2.162 179.750 177.584 0.007 0.000 1.175 101 A CA 1.953 54.034 52.037 0.073 0.000 0.627 101 A CB -0.428 18.638 19.000 0.111 0.000 0.815 101 A HN 0.379 nan 8.150 nan 0.000 0.443 102 A N 0.208 122.941 122.820 -0.144 0.000 1.930 102 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 102 A C 1.874 179.386 177.584 -0.119 0.000 1.175 102 A CA 1.642 53.465 52.037 -0.358 0.000 0.627 102 A CB -0.575 18.005 19.000 -0.701 0.000 0.815 102 A HN 0.509 nan 8.150 nan 0.000 0.443 103 N N -0.148 118.530 118.700 -0.036 0.000 2.149 103 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 103 N C 1.810 177.359 175.510 0.064 0.000 1.019 103 N CA 1.517 54.599 53.050 0.053 0.000 0.857 103 N CB -0.480 38.045 38.487 0.064 0.000 0.997 103 N HN 0.748 nan 8.380 nan 0.000 0.426 104 Q N -0.068 119.766 119.800 0.057 0.000 2.135 104 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 104 Q C 1.428 177.434 176.000 0.011 0.000 0.981 104 Q CA 1.087 56.921 55.803 0.052 0.000 0.856 104 Q CB 0.147 28.929 28.738 0.074 0.000 0.902 104 Q HN 0.253 nan 8.270 nan 0.000 0.425 105 I N -0.450 120.089 120.570 -0.051 0.000 2.296 105 I HA -0.136 4.033 4.170 -0.000 0.000 0.242 105 I C 1.898 177.962 176.117 -0.088 0.000 1.087 105 I CA 0.916 62.147 61.300 -0.116 0.000 1.393 105 I CB -1.433 36.424 38.000 -0.238 0.000 1.093 105 I HN 0.150 nan 8.210 nan 0.000 0.421 106 F N 1.562 121.532 119.950 0.032 0.000 2.333 106 F HA -0.140 4.387 4.527 -0.001 0.000 0.300 106 F C 2.930 178.749 175.800 0.032 0.000 1.083 106 F CA 1.192 59.208 58.000 0.026 0.000 1.395 106 F CB -1.089 37.896 39.000 -0.026 0.000 1.056 106 F HN 0.044 nan 8.300 nan 0.000 0.529 107 S N 0.166 115.970 115.700 0.174 0.000 2.359 107 S HA -0.157 4.312 4.470 -0.000 0.000 0.224 107 S C 2.541 177.210 174.600 0.115 0.000 1.035 107 S CA 1.672 59.941 58.200 0.115 0.000 1.018 107 S CB -0.913 62.320 63.200 0.054 0.000 0.876 107 S HN 0.413 nan 8.310 nan 0.000 0.448 108 G N 1.184 110.040 108.800 0.093 0.000 2.402 108 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.216 108 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.216 108 G C 1.451 176.424 174.900 0.121 0.000 1.162 108 G CA 0.859 46.012 45.100 0.089 0.000 0.777 108 G HN 0.571 nan 8.290 nan 0.000 0.539 109 I N 0.719 121.376 120.570 0.146 0.000 2.142 109 I HA -0.063 4.107 4.170 -0.000 0.000 0.240 109 I C 1.652 177.867 176.117 0.164 0.000 1.078 109 I CA 0.564 61.963 61.300 0.164 0.000 1.343 109 I CB -0.331 37.813 38.000 0.241 0.000 1.046 109 I HN 0.158 nan 8.210 nan 0.000 0.405 115 D N 1.177 121.644 120.400 0.111 0.000 2.117 115 D HA -0.161 4.478 4.640 -0.000 0.000 0.197 115 D C 2.018 178.276 176.300 -0.070 0.000 0.987 115 D CA 1.766 55.757 54.000 -0.016 0.000 0.829 115 D CB 0.028 40.807 40.800 -0.035 0.000 0.961 115 D HN 0.014 nan 8.370 nan 0.000 0.460 116 L N 0.549 121.725 121.223 -0.079 0.000 2.046 116 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 116 L C 2.096 178.882 176.870 -0.141 0.000 1.077 116 L CA 1.752 56.523 54.840 -0.116 0.000 0.747 116 L CB -0.878 41.101 42.059 -0.134 0.000 0.896 116 L HN 0.122 nan 8.230 nan 0.000 0.432 117 Q N -0.677 119.015 119.800 -0.181 0.000 2.124 117 Q HA -0.116 4.223 4.340 -0.000 0.000 0.202 117 Q C 2.080 178.069 176.000 -0.019 0.000 0.977 117 Q CA 1.334 57.036 55.803 -0.167 0.000 0.850 117 Q CB -0.527 28.075 28.738 -0.226 0.000 0.901 117 Q HN 0.700 nan 8.270 nan 0.000 0.429 118 G N 1.308 110.106 108.800 -0.004 0.000 2.402 118 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.216 118 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.216 118 G C 1.293 176.170 174.900 -0.040 0.000 1.162 118 G CA 0.546 45.639 45.100 -0.011 0.000 0.777 118 G HN 0.184 nan 8.290 nan 0.000 0.539 119 K N -0.152 120.208 120.400 -0.066 0.000 2.097 119 K HA 0.102 4.422 4.320 -0.000 0.000 0.206 119 K C 2.468 179.043 176.600 -0.042 0.000 1.049 119 K CA 0.627 56.873 56.287 -0.069 0.000 0.933 119 K CB -0.243 32.201 32.500 -0.093 0.000 0.717 119 K HN 0.249 nan 8.250 nan 0.000 0.442 120 L N 0.098 121.300 121.223 -0.034 0.000 2.093 120 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 120 L C 2.352 179.232 176.870 0.016 0.000 1.085 120 L CA 1.081 55.917 54.840 -0.007 0.000 0.755 120 L CB -0.328 41.733 42.059 0.003 0.000 0.904 120 L HN 0.193 nan 8.230 nan 0.000 0.435 121 A N -0.743 122.092 122.820 0.024 0.000 2.178 121 A HA 0.288 4.607 4.320 -0.000 0.000 0.211 121 A C 1.599 179.185 177.584 0.003 0.000 1.157 121 A CA 0.670 52.722 52.037 0.025 0.000 0.780 121 A CB -0.232 18.796 19.000 0.046 0.000 0.828 121 A HN 0.474 nan 8.150 nan 0.000 0.476 122 G N -0.795 107.999 108.800 -0.009 0.000 2.256 122 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.272 122 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.272 122 G C -0.258 174.631 174.900 -0.018 0.000 1.076 122 G CA 0.532 45.623 45.100 -0.016 0.000 0.882 122 G HN 0.555 nan 8.290 nan 0.000 0.497 123 L N -0.090 121.118 121.223 -0.026 0.000 2.393 123 L HA 0.619 4.959 4.340 -0.000 0.000 0.260 123 L C -2.173 174.653 176.870 -0.073 0.000 1.002 123 L CA -2.621 52.193 54.840 -0.043 0.000 0.818 123 L CB 2.997 45.032 42.059 -0.039 0.000 1.369 123 L HN -0.066 nan 8.230 nan 0.000 0.412 124 P HA 0.084 nan 4.420 nan 0.000 0.275 124 P C 0.841 177.998 177.300 -0.239 0.000 1.228 124 P CA -0.318 62.709 63.100 -0.121 0.000 0.786 124 P CB 1.581 33.312 31.700 0.052 0.000 0.927 125 V N 2.559 122.277 119.914 -0.327 0.000 2.370 125 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 125 V C 2.468 178.538 176.094 -0.040 0.000 1.068 125 V CA 2.787 64.987 62.300 -0.167 0.000 1.061 125 V CB -2.183 29.505 31.823 -0.225 0.000 0.656 125 V HN 0.763 nan 8.190 nan 0.000 0.455 126 H N -0.083 119.087 119.070 0.167 0.000 2.489 126 H HA -0.116 4.439 4.556 -0.000 0.000 0.293 126 H C 1.903 177.270 175.328 0.065 0.000 1.066 126 H CA 1.460 57.587 56.048 0.131 0.000 1.305 126 H CB -0.449 29.426 29.762 0.189 0.000 1.386 126 H HN 0.463 nan 8.280 nan 0.000 0.551 127 Q N 0.153 119.774 119.800 -0.299 0.000 2.365 127 Q HA 0.193 4.533 4.340 -0.000 0.000 0.203 127 Q C 1.025 176.999 176.000 -0.043 0.000 0.929 127 Q CA 0.034 55.751 55.803 -0.144 0.000 0.948 127 Q CB 0.446 29.059 28.738 -0.209 0.000 1.043 127 Q HN 0.589 nan 8.270 nan 0.000 0.505 128 L N -0.754 120.462 121.223 -0.012 0.000 2.638 128 L HA 0.132 4.472 4.340 -0.000 0.000 0.232 128 L C 1.246 178.139 176.870 0.038 0.000 1.099 128 L CA 0.256 55.141 54.840 0.075 0.000 0.883 128 L CB 0.430 42.611 42.059 0.203 0.000 1.136 128 L HN 0.199 nan 8.230 nan 0.000 0.492 129 L N -0.688 120.519 121.223 -0.027 0.000 2.693 129 L HA 0.372 4.712 4.340 -0.000 0.000 0.235 129 L C 1.284 178.156 176.870 0.003 0.000 1.127 129 L CA 0.576 55.375 54.840 -0.069 0.000 0.914 129 L CB 0.406 42.391 42.059 -0.124 0.000 1.193 129 L HN 0.358 nan 8.230 nan 0.000 0.502 130 G N -0.615 108.201 108.800 0.026 0.000 2.255 130 G HA2 0.019 3.979 3.960 -0.000 0.000 0.196 130 G HA3 0.019 3.979 3.960 -0.000 0.000 0.196 130 G C 0.506 175.416 174.900 0.017 0.000 0.998 130 G CA -0.298 44.822 45.100 0.033 0.000 0.656 130 G HN 0.772 nan 8.290 nan 0.000 0.490 131 G N -0.935 107.897 108.800 0.054 0.000 2.539 131 G HA2 0.529 4.488 3.960 -0.000 0.000 0.686 131 G HA3 0.529 4.488 3.960 -0.000 0.000 0.686 131 G C -0.076 174.842 174.900 0.030 0.000 1.258 131 G CA 0.780 45.913 45.100 0.055 0.000 0.846 131 G HN 2.081 nan 8.290 nan 0.000 0.647 132 A N -0.117 122.725 122.820 0.037 0.000 2.328 132 A HA 0.698 5.017 4.320 -0.000 0.000 0.284 132 A C 0.525 177.994 177.584 -0.193 0.000 1.160 132 A CA 0.110 52.088 52.037 -0.099 0.000 0.818 132 A CB 0.412 19.256 19.000 -0.260 0.000 1.087 132 A HN 1.068 nan 8.150 nan 0.000 0.504 133 H N 0.889 119.906 119.070 -0.089 0.000 2.517 133 H HA 0.218 4.774 4.556 -0.000 0.000 0.282 133 H C 0.447 175.723 175.328 -0.088 0.000 1.023 133 H CA 0.725 56.729 56.048 -0.072 0.000 1.169 133 H CB 0.020 29.744 29.762 -0.064 0.000 1.454 133 H HN 0.714 nan 8.280 nan 0.000 0.556 134 R N -0.745 119.728 120.500 -0.045 0.000 2.664 134 R HA 0.180 4.520 4.340 -0.000 0.000 0.266 134 R C -0.256 175.962 176.300 -0.136 0.000 1.046 134 R CA -0.964 55.087 56.100 -0.083 0.000 0.885 134 R CB 0.988 31.250 30.300 -0.063 0.000 1.254 134 R HN 0.136 nan 8.270 nan 0.000 0.465 135 K N 0.367 120.679 120.400 -0.147 0.000 2.418 135 K HA 0.341 4.660 4.320 -0.000 0.000 0.195 135 K C 0.132 176.642 176.600 -0.150 0.000 1.035 135 K CA 0.791 56.990 56.287 -0.146 0.000 1.003 135 K CB 0.608 33.026 32.500 -0.138 0.000 0.793 135 K HN 0.537 nan 8.250 nan 0.000 0.494 136 A N 0.642 123.371 122.820 -0.151 0.000 2.574 136 A HA 0.504 4.824 4.320 -0.000 0.000 0.297 136 A C -1.287 176.349 177.584 0.085 0.000 1.062 136 A CA -0.827 51.184 52.037 -0.043 0.000 0.686 136 A CB 1.935 20.908 19.000 -0.044 0.000 1.285 136 A HN -0.029 nan 8.150 nan 0.000 0.403 137 V N 1.469 121.414 119.914 0.052 0.000 2.465 137 V HA 0.603 4.723 4.120 -0.000 0.000 0.279 137 V C 1.071 177.088 176.094 -0.129 0.000 1.045 137 V CA 0.204 62.422 62.300 -0.138 0.000 0.938 137 V CB 1.491 33.041 31.823 -0.454 0.000 0.986 137 V HN 1.199 nan 8.190 nan 0.000 0.467 138 G N 3.458 112.038 108.800 -0.366 0.000 2.395 138 G HA2 0.548 4.507 3.960 -0.000 0.000 0.283 138 G HA3 0.548 4.507 3.960 -0.000 0.000 0.283 138 G C -1.390 173.021 174.900 -0.814 0.000 1.178 138 G CA -0.097 44.497 45.100 -0.843 0.000 0.837 138 G HN 0.518 nan 8.290 nan 0.000 0.518 139 Y N 0.304 120.401 120.300 -0.337 0.000 2.536 139 Y HA 0.488 5.038 4.550 -0.001 0.000 0.347 139 Y C 0.672 176.551 175.900 -0.034 0.000 1.000 139 Y CA -1.195 56.805 58.100 -0.166 0.000 1.051 139 Y CB 1.812 40.249 38.460 -0.038 0.000 1.259 139 Y HN 0.685 nan 8.280 nan 0.000 0.468 140 F N -0.018 119.953 119.950 0.035 0.000 2.352 140 F HA 0.488 5.015 4.527 -0.001 0.000 0.304 140 F C -1.071 174.764 175.800 0.059 0.000 1.215 140 F CA -1.038 56.962 58.000 -0.001 0.000 1.121 140 F CB 0.692 39.694 39.000 0.004 0.000 1.329 140 F HN 0.462 nan 8.300 nan 0.000 0.528 141 Y N 2.092 122.319 120.300 -0.122 0.000 2.464 141 Y HA 0.296 4.846 4.550 -0.001 0.000 0.326 141 Y C -1.101 174.569 175.900 -0.384 0.000 0.969 141 Y CA -2.124 55.818 58.100 -0.263 0.000 1.270 141 Y CB 0.434 38.618 38.460 -0.459 0.000 1.103 141 Y HN 0.543 nan 8.280 nan 0.000 0.491 142 F N 7.477 126.790 119.950 -1.061 0.000 2.552 142 F HA 0.239 4.766 4.527 -0.001 0.000 0.342 142 F C -0.485 174.930 175.800 -0.642 0.000 1.257 142 F CA -0.416 57.029 58.000 -0.926 0.000 1.058 142 F CB -0.272 38.330 39.000 -0.664 0.000 1.288 142 F HN 0.424 nan 8.300 nan 0.000 0.627 143 L N 5.401 126.259 121.223 -0.609 0.000 2.461 143 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 143 L C 0.239 176.755 176.870 -0.589 0.000 1.197 143 L CA 0.280 54.835 54.840 -0.474 0.000 0.836 143 L CB 0.464 42.414 42.059 -0.181 0.000 1.105 143 L HN 0.506 nan 8.230 nan 0.000 0.477 144 Q N 0.817 120.383 119.800 -0.392 0.000 2.423 144 Q HA 0.751 5.091 4.340 -0.000 0.000 0.278 144 Q C -0.675 175.189 176.000 -0.225 0.000 1.097 144 Q CA -0.730 54.867 55.803 -0.344 0.000 0.809 144 Q CB 2.768 31.346 28.738 -0.267 0.000 1.391 144 Q HN 0.803 nan 8.270 nan 0.000 0.428 145 G N 0.928 109.590 108.800 -0.231 0.000 2.312 145 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.347 145 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.347 145 G C -0.517 174.234 174.900 -0.249 0.000 1.564 145 G CA -0.583 44.396 45.100 -0.201 0.000 0.981 145 G HN 0.489 nan 8.290 nan 0.000 0.678 146 E N -0.727 119.313 120.200 -0.265 0.000 2.389 146 E HA 0.128 4.478 4.350 -0.000 0.000 0.199 146 E C 1.581 178.069 176.600 -0.186 0.000 0.978 146 E CA 1.374 57.603 56.400 -0.285 0.000 0.912 146 E CB 0.909 30.365 29.700 -0.407 0.000 0.907 146 E HN 0.875 nan 8.360 nan 0.000 0.494 147 T N -3.072 111.393 114.554 -0.149 0.000 2.949 147 T HA 0.643 4.993 4.350 -0.000 0.000 0.287 147 T C 1.221 175.857 174.700 -0.106 0.000 1.034 147 T CA -0.173 61.860 62.100 -0.113 0.000 1.018 147 T CB 2.041 70.855 68.868 -0.090 0.000 1.135 147 T HN -0.112 nan 8.240 nan 0.000 0.532 148 A N 0.050 122.813 122.820 -0.094 0.000 1.933 148 A HA -0.056 4.263 4.320 -0.000 0.000 0.218 148 A C 2.214 179.747 177.584 -0.085 0.000 1.175 148 A CA 1.918 53.898 52.037 -0.095 0.000 0.628 148 A CB -1.131 17.816 19.000 -0.088 0.000 0.814 148 A HN 1.027 nan 8.150 nan 0.000 0.444 149 E N -0.061 120.095 120.200 -0.072 0.000 2.051 149 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 149 E C 1.918 178.482 176.600 -0.060 0.000 0.991 149 E CA 1.472 57.836 56.400 -0.061 0.000 0.799 149 E CB -0.146 29.523 29.700 -0.051 0.000 0.748 149 E HN 0.763 nan 8.360 nan 0.000 0.449 150 E N 0.378 120.537 120.200 -0.068 0.000 2.077 150 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 150 E C 2.328 178.888 176.600 -0.067 0.000 0.989 150 E CA 1.019 57.379 56.400 -0.067 0.000 0.800 150 E CB -0.094 29.555 29.700 -0.086 0.000 0.746 150 E HN 0.317 nan 8.360 nan 0.000 0.452 151 L N 0.648 121.819 121.223 -0.087 0.000 2.141 151 L HA -0.147 4.192 4.340 -0.000 0.000 0.209 151 L C 2.555 179.389 176.870 -0.061 0.000 1.094 151 L CA 0.811 55.600 54.840 -0.085 0.000 0.763 151 L CB -0.396 41.594 42.059 -0.114 0.000 0.908 151 L HN 0.148 nan 8.230 nan 0.000 0.437 152 A N 0.295 123.073 122.820 -0.070 0.000 1.902 152 A HA -0.212 4.107 4.320 -0.000 0.000 0.217 152 A C 2.360 179.919 177.584 -0.041 0.000 1.181 152 A CA 1.546 53.540 52.037 -0.071 0.000 0.623 152 A CB -0.409 18.547 19.000 -0.073 0.000 0.818 152 A HN 0.299 nan 8.150 nan 0.000 0.443 153 R N -0.688 119.797 120.500 -0.026 0.000 2.092 153 R HA -0.104 4.235 4.340 -0.000 0.000 0.231 153 R C 1.896 178.217 176.300 0.035 0.000 1.119 153 R CA 1.418 57.517 56.100 -0.003 0.000 0.970 153 R CB -0.294 30.002 30.300 -0.007 0.000 0.864 153 R HN 0.604 nan 8.270 nan 0.000 0.440 154 D N 0.212 120.642 120.400 0.050 0.000 2.149 154 D HA -0.036 4.604 4.640 -0.000 0.000 0.201 154 D C 1.753 178.202 176.300 0.247 0.000 0.972 154 D CA 1.266 55.348 54.000 0.137 0.000 0.835 154 D CB 0.003 40.856 40.800 0.088 0.000 0.966 154 D HN 0.191 nan 8.370 nan 0.000 0.476 155 A N 0.597 123.513 122.820 0.160 0.000 1.902 155 A HA -0.000 4.319 4.320 -0.000 0.000 0.217 155 A C 2.368 180.002 177.584 0.084 0.000 1.181 155 A CA 2.227 54.349 52.037 0.142 0.000 0.623 155 A CB -1.003 17.944 19.000 -0.088 0.000 0.818 155 A HN 0.302 nan 8.150 nan 0.000 0.443 156 A N -0.689 122.151 122.820 0.034 0.000 1.933 156 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 156 A C 2.230 179.867 177.584 0.088 0.000 1.175 156 A CA 1.706 53.768 52.037 0.040 0.000 0.628 156 A CB -0.847 18.159 19.000 0.010 0.000 0.814 156 A HN 0.364 nan 8.150 nan 0.000 0.444 157 V N -0.147 119.817 119.914 0.082 0.000 2.295 157 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 157 V C 2.828 178.904 176.094 -0.030 0.000 1.049 157 V CA 2.039 64.372 62.300 0.055 0.000 1.024 157 V CB -1.371 30.510 31.823 0.097 0.000 0.648 157 V HN 0.607 nan 8.190 nan 0.000 0.447 158 G N -1.304 107.421 108.800 -0.125 0.000 2.418 158 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 158 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 158 G C 1.464 176.308 174.900 -0.095 0.000 1.158 158 G CA 1.276 46.010 45.100 -0.610 0.000 0.771 158 G HN 0.627 nan 8.290 nan 0.000 0.545 159 H N 1.068 120.222 119.070 0.140 0.000 2.353 159 H HA 0.122 4.677 4.556 -0.000 0.000 0.300 159 H C 2.686 178.041 175.328 0.044 0.000 1.090 159 H CA 1.706 57.855 56.048 0.168 0.000 1.327 159 H CB -0.225 29.562 29.762 0.042 0.000 1.383 159 H HN 0.294 nan 8.280 nan 0.000 0.508 160 A N 0.398 123.243 122.820 0.042 0.000 1.972 160 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 160 A C 2.003 179.553 177.584 -0.056 0.000 1.169 160 A CA 1.677 53.707 52.037 -0.012 0.000 0.635 160 A CB -0.450 18.564 19.000 0.024 0.000 0.810 160 A HN 0.799 nan 8.150 nan 0.000 0.446 161 Q N -1.662 118.093 119.800 -0.076 0.000 2.222 161 Q HA 0.413 4.753 4.340 -0.000 0.000 0.206 161 Q C 0.732 176.682 176.000 -0.085 0.000 0.877 161 Q CA 0.329 56.090 55.803 -0.070 0.000 0.958 161 Q CB -0.271 28.428 28.738 -0.064 0.000 1.075 161 Q HN 0.868 nan 8.270 nan 0.000 0.483 162 G N 1.084 109.811 108.800 -0.122 0.000 2.198 162 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.257 162 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.257 162 G C -0.437 174.401 174.900 -0.103 0.000 1.042 162 G CA -0.086 44.951 45.100 -0.105 0.000 0.791 162 G HN 0.343 nan 8.290 nan 0.000 0.502 163 E N -0.698 119.389 120.200 -0.188 0.000 2.383 163 E HA 0.323 4.673 4.350 -0.000 0.000 0.264 163 E C 1.512 177.981 176.600 -0.219 0.000 1.050 163 E CA -0.240 55.967 56.400 -0.321 0.000 0.896 163 E CB 0.630 29.878 29.700 -0.753 0.000 0.982 163 E HN 0.584 nan 8.360 nan 0.000 0.424 164 R N 0.428 120.804 120.500 -0.207 0.000 2.195 164 R HA 0.175 4.514 4.340 -0.000 0.000 0.197 164 R C 0.101 176.384 176.300 -0.030 0.000 0.990 164 R CA 0.249 56.311 56.100 -0.065 0.000 1.048 164 R CB 0.676 30.922 30.300 -0.089 0.000 0.997 164 R HN 0.123 nan 8.270 nan 0.000 0.502 165 V N 1.945 121.767 119.914 -0.154 0.000 2.409 165 V HA 0.323 4.443 4.120 -0.000 0.000 0.290 165 V C -0.988 175.057 176.094 -0.081 0.000 1.017 165 V CA -0.764 61.528 62.300 -0.014 0.000 0.841 165 V CB 1.290 33.135 31.823 0.037 0.000 1.003 165 V HN 0.004 nan 8.190 nan 0.000 0.426 166 F N 3.935 123.962 119.950 0.129 0.000 2.404 166 F HA 0.501 5.028 4.527 -0.000 0.000 0.345 166 F C -0.232 175.638 175.800 0.117 0.000 1.110 166 F CA -0.380 57.704 58.000 0.141 0.000 1.130 166 F CB 1.051 40.108 39.000 0.095 0.000 1.129 166 F HN 0.472 nan 8.300 nan 0.000 0.500 167 Y N 4.779 125.094 120.300 0.025 0.000 2.328 167 Y HA 0.583 5.133 4.550 -0.000 0.000 0.333 167 Y C -1.447 174.409 175.900 -0.074 0.000 0.958 167 Y CA -1.158 56.920 58.100 -0.035 0.000 1.167 167 Y CB 1.112 39.469 38.460 -0.172 0.000 1.151 167 Y HN 0.533 nan 8.280 nan 0.000 0.470 168 L N 6.527 127.605 121.223 -0.242 0.000 2.346 168 L HA 0.526 4.866 4.340 -0.000 0.000 0.276 168 L C -1.048 175.642 176.870 -0.301 0.000 1.006 168 L CA -0.817 53.889 54.840 -0.224 0.000 0.817 168 L CB 1.542 43.508 42.059 -0.154 0.000 1.272 168 L HN 0.599 nan 8.230 nan 0.000 0.421 169 K N 4.577 124.845 120.400 -0.220 0.000 2.248 169 K HA 0.597 4.917 4.320 -0.000 0.000 0.281 169 K C -0.467 176.035 176.600 -0.163 0.000 1.054 169 K CA -0.565 55.617 56.287 -0.175 0.000 0.903 169 K CB 0.857 33.302 32.500 -0.091 0.000 1.077 169 K HN 0.620 nan 8.250 nan 0.000 0.474 170 V N 0.795 120.599 119.914 -0.184 0.000 3.707 170 V HA 0.733 4.853 4.120 -0.000 0.000 0.293 170 V C 0.803 176.771 176.094 -0.210 0.000 1.307 170 V CA -0.067 62.147 62.300 -0.144 0.000 0.971 170 V CB 0.521 32.304 31.823 -0.066 0.000 1.263 170 V HN 0.930 nan 8.190 nan 0.000 0.473 171 G N 0.324 109.025 108.800 -0.165 0.000 2.137 171 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 171 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 171 G C 0.558 175.435 174.900 -0.038 0.000 1.002 171 G CA 0.548 45.508 45.100 -0.234 0.000 0.702 171 G HN 0.848 nan 8.290 nan 0.000 0.515 172 R N 0.274 120.778 120.500 0.007 0.000 2.356 172 R HA 0.465 4.804 4.340 -0.000 0.000 0.234 172 R C 1.183 177.501 176.300 0.030 0.000 0.929 172 R CA 0.462 56.559 56.100 -0.005 0.000 1.084 172 R CB 0.331 30.608 30.300 -0.038 0.000 1.105 172 R HN 1.493 nan 8.270 nan 0.000 0.515 173 G N 1.272 110.128 108.800 0.094 0.000 2.640 173 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.686 173 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.686 173 G C 0.078 175.027 174.900 0.082 0.000 1.229 173 G CA -0.404 44.744 45.100 0.081 0.000 0.796 173 G HN 0.181 nan 8.290 nan 0.000 0.654 174 E N 0.550 120.783 120.200 0.054 0.000 2.049 174 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 174 E C 2.314 178.926 176.600 0.020 0.000 1.007 174 E CA 1.742 58.158 56.400 0.027 0.000 0.809 174 E CB -0.082 29.609 29.700 -0.016 0.000 0.749 174 E HN 0.559 nan 8.360 nan 0.000 0.450 175 K N -0.014 120.391 120.400 0.009 0.000 2.009 175 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 175 K C 2.296 178.891 176.600 -0.009 0.000 1.049 175 K CA 1.518 57.805 56.287 0.000 0.000 0.929 175 K CB -0.252 32.245 32.500 -0.005 0.000 0.714 175 K HN 0.151 nan 8.250 nan 0.000 0.440 176 L N 1.449 122.665 121.223 -0.012 0.000 2.093 176 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 176 L C 1.488 178.336 176.870 -0.037 0.000 1.085 176 L CA 1.846 56.667 54.840 -0.031 0.000 0.755 176 L CB -0.499 41.538 42.059 -0.035 0.000 0.904 176 L HN 0.203 nan 8.230 nan 0.000 0.435 177 D N -0.453 119.945 120.400 -0.003 0.000 2.092 177 D HA -0.199 4.440 4.640 -0.000 0.000 0.193 177 D C 2.289 178.563 176.300 -0.043 0.000 0.994 177 D CA 1.736 55.740 54.000 0.007 0.000 0.828 177 D CB -0.218 40.649 40.800 0.112 0.000 0.963 177 D HN 0.342 nan 8.370 nan 0.000 0.450 178 L N 0.524 121.735 121.223 -0.021 0.000 2.083 178 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 178 L C 2.357 179.139 176.870 -0.147 0.000 1.083 178 L CA 1.058 55.871 54.840 -0.044 0.000 0.752 178 L CB -0.379 41.718 42.059 0.064 0.000 0.899 178 L HN 0.026 nan 8.230 nan 0.000 0.433 179 E N 0.559 120.704 120.200 -0.091 0.000 2.051 179 E HA -0.237 4.112 4.350 -0.000 0.000 0.192 179 E C 2.212 178.719 176.600 -0.155 0.000 0.991 179 E CA 1.749 58.089 56.400 -0.101 0.000 0.799 179 E CB -0.141 29.520 29.700 -0.065 0.000 0.748 179 E HN 0.641 nan 8.360 nan 0.000 0.449 180 I N -1.578 118.899 120.570 -0.156 0.000 2.500 180 I HA -0.102 4.068 4.170 -0.000 0.000 0.252 180 I C 2.008 177.982 176.117 -0.238 0.000 1.142 180 I CA 1.076 62.274 61.300 -0.170 0.000 1.451 180 I CB -0.364 37.551 38.000 -0.141 0.000 1.093 180 I HN -0.115 nan 8.210 nan 0.000 0.430 181 T N 1.592 115.955 114.554 -0.319 0.000 2.821 181 T HA 0.008 4.358 4.350 -0.000 0.000 0.267 181 T C 2.170 176.477 174.700 -0.655 0.000 1.046 181 T CA 1.556 63.389 62.100 -0.445 0.000 1.139 181 T CB -0.271 68.299 68.868 -0.498 0.000 0.871 181 T HN 0.581 nan 8.240 nan 0.000 0.454 182 A N 1.577 123.935 122.820 -0.771 0.000 1.877 182 A HA 0.175 4.494 4.320 -0.000 0.000 0.216 182 A C 2.669 180.111 177.584 -0.236 0.000 1.186 182 A CA 1.791 53.505 52.037 -0.538 0.000 0.620 182 A CB -1.186 17.672 19.000 -0.238 0.000 0.822 182 A HN 0.491 nan 8.150 nan 0.000 0.443 183 A N -0.607 122.090 122.820 -0.205 0.000 1.908 183 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 183 A C 2.258 179.745 177.584 -0.162 0.000 1.181 183 A CA 1.939 53.888 52.037 -0.147 0.000 0.627 183 A CB -0.952 17.971 19.000 -0.127 0.000 0.818 183 A HN 0.391 nan 8.150 nan 0.000 0.445 184 V N 0.073 119.872 119.914 -0.192 0.000 2.270 184 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 184 V C 2.667 178.614 176.094 -0.245 0.000 1.043 184 V CA 2.298 64.475 62.300 -0.206 0.000 1.014 184 V CB -0.807 30.903 31.823 -0.188 0.000 0.645 184 V HN 0.667 nan 8.190 nan 0.000 0.447 185 R N 1.651 122.026 120.500 -0.208 0.000 2.117 185 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 185 R C 2.109 178.314 176.300 -0.159 0.000 1.143 185 R CA 2.018 58.024 56.100 -0.157 0.000 0.968 185 R CB -1.399 28.886 30.300 -0.025 0.000 0.863 185 R HN 0.451 nan 8.270 nan 0.000 0.444 186 G N -0.293 108.427 108.800 -0.133 0.000 2.498 186 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 186 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 186 G C 0.967 175.764 174.900 -0.172 0.000 1.119 186 G CA 0.585 45.613 45.100 -0.119 0.000 0.766 186 G HN 0.348 nan 8.290 nan 0.000 0.552 187 E N -0.292 119.766 120.200 -0.236 0.000 2.489 187 E HA 0.120 4.469 4.350 -0.000 0.000 0.204 187 E C 2.031 178.326 176.600 -0.509 0.000 1.006 187 E CA 0.002 56.233 56.400 -0.282 0.000 0.936 187 E CB 0.450 30.024 29.700 -0.210 0.000 1.002 187 E HN 0.765 nan 8.360 nan 0.000 0.488 188 I N -3.673 116.545 120.570 -0.587 0.000 3.974 188 I HA 0.419 4.589 4.170 -0.000 0.000 0.334 188 I C 1.031 176.790 176.117 -0.597 0.000 1.437 188 I CA 0.064 60.869 61.300 -0.825 0.000 1.113 188 I CB 0.242 37.679 38.000 -0.938 0.000 1.063 188 I HN -0.020 nan 8.210 nan 0.000 0.400 189 G N 2.741 111.280 108.800 -0.435 0.000 2.622 189 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.307 189 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.307 189 G C 0.259 175.103 174.900 -0.094 0.000 1.226 189 G CA 0.782 45.765 45.100 -0.194 0.000 0.997 189 G HN 0.493 nan 8.290 nan 0.000 0.551 190 D N 2.092 122.487 120.400 -0.009 0.000 2.402 190 D HA 0.487 5.127 4.640 -0.000 0.000 0.216 190 D C 1.405 177.741 176.300 0.059 0.000 1.128 190 D CA 0.705 54.717 54.000 0.020 0.000 0.833 190 D CB 0.178 40.998 40.800 0.034 0.000 0.971 190 D HN 0.790 nan 8.370 nan 0.000 0.503 191 A N 0.914 123.788 122.820 0.089 0.000 2.455 191 A HA 0.124 4.444 4.320 -0.000 0.000 0.244 191 A C 0.738 178.417 177.584 0.158 0.000 1.099 191 A CA -0.017 52.130 52.037 0.183 0.000 0.786 191 A CB 0.408 19.622 19.000 0.357 0.000 1.051 191 A HN 0.085 nan 8.150 nan 0.000 0.508 192 R N -0.845 119.776 120.500 0.202 0.000 2.491 192 R HA 0.372 4.712 4.340 -0.000 0.000 0.283 192 R C -1.056 175.359 176.300 0.191 0.000 1.072 192 R CA -0.285 55.904 56.100 0.148 0.000 1.048 192 R CB 0.437 30.802 30.300 0.109 0.000 0.983 192 R HN 0.478 nan 8.270 nan 0.000 0.450 193 L N 3.231 124.502 121.223 0.080 0.000 2.406 193 L HA 0.405 4.744 4.340 -0.000 0.000 0.272 193 L C -0.958 175.864 176.870 -0.080 0.000 0.980 193 L CA -0.330 54.542 54.840 0.054 0.000 0.831 193 L CB 1.631 43.700 42.059 0.016 0.000 1.253 193 L HN 0.521 nan 8.230 nan 0.000 0.406 194 R N 5.410 125.826 120.500 -0.140 0.000 2.562 194 R HA 0.763 5.103 4.340 -0.000 0.000 0.298 194 R C -1.365 174.745 176.300 -0.318 0.000 0.961 194 R CA -0.794 55.081 56.100 -0.375 0.000 0.881 194 R CB 1.874 31.821 30.300 -0.589 0.000 1.159 194 R HN 0.557 nan 8.270 nan 0.000 0.450 195 L N 1.562 122.633 121.223 -0.253 0.000 2.329 195 L HA 0.389 4.728 4.340 -0.000 0.000 0.279 195 L C -0.603 176.119 176.870 -0.247 0.000 1.014 195 L CA -0.928 53.767 54.840 -0.241 0.000 0.814 195 L CB 1.810 43.822 42.059 -0.078 0.000 1.257 195 L HN 0.514 nan 8.230 nan 0.000 0.424 196 D N 1.864 122.041 120.400 -0.372 0.000 2.392 196 D HA 0.409 5.049 4.640 -0.000 0.000 0.228 196 D C 0.470 176.624 176.300 -0.244 0.000 1.074 196 D CA -0.361 53.501 54.000 -0.230 0.000 0.838 196 D CB 2.089 42.777 40.800 -0.187 0.000 1.067 196 D HN 0.576 nan 8.370 nan 0.000 0.511 197 A N 4.262 126.893 122.820 -0.315 0.000 2.208 197 A HA 0.024 4.344 4.320 -0.000 0.000 0.209 197 A C 1.171 178.490 177.584 -0.441 0.000 1.161 197 A CA 0.270 51.913 52.037 -0.656 0.000 0.782 197 A CB -0.665 17.739 19.000 -0.992 0.000 0.816 197 A HN 0.728 nan 8.150 nan 0.000 0.477 198 N N 0.660 119.243 118.700 -0.196 0.000 2.699 198 N HA -0.241 4.499 4.740 -0.000 0.000 0.256 198 N C -0.020 175.423 175.510 -0.111 0.000 0.993 198 N CA 1.253 54.252 53.050 -0.084 0.000 0.759 198 N CB -1.818 36.660 38.487 -0.015 0.000 0.906 198 N HN 0.685 nan 8.380 nan 0.000 0.541 199 E N -3.643 116.477 120.200 -0.134 0.000 2.971 199 E HA -0.272 4.078 4.350 -0.000 0.000 0.271 199 E C 1.136 177.677 176.600 -0.099 0.000 1.053 199 E CA 0.789 57.123 56.400 -0.110 0.000 0.817 199 E CB -1.589 28.047 29.700 -0.107 0.000 1.410 199 E HN 0.695 nan 8.360 nan 0.000 0.445 200 G N -0.722 107.953 108.800 -0.208 0.000 2.813 200 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.209 200 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.209 200 G C -0.022 174.853 174.900 -0.041 0.000 1.150 200 G CA -0.096 44.895 45.100 -0.181 0.000 0.785 200 G HN 0.095 nan 8.290 nan 0.000 0.535 201 W N 1.253 122.542 121.300 -0.019 0.000 2.606 201 W HA 0.585 5.245 4.660 0.000 0.000 0.332 201 W C 0.546 177.041 176.519 -0.040 0.000 1.052 201 W CA -1.805 55.516 57.345 -0.040 0.000 1.223 201 W CB 0.964 30.391 29.460 -0.054 0.000 1.383 201 W HN 0.059 nan 8.180 nan 0.000 0.524 202 S N 0.148 115.958 115.700 0.184 0.000 2.624 202 S HA 0.221 4.691 4.470 -0.000 0.000 0.263 202 S C 0.839 175.466 174.600 0.045 0.000 1.287 202 S CA -0.623 57.635 58.200 0.098 0.000 0.990 202 S CB 1.139 64.398 63.200 0.098 0.000 0.950 202 S HN 0.251 nan 8.310 nan 0.000 0.561 203 V N 2.191 122.115 119.914 0.015 0.000 2.282 203 V HA -0.241 3.878 4.120 -0.000 0.000 0.249 203 V C 2.698 178.757 176.094 -0.057 0.000 1.057 203 V CA 2.360 64.616 62.300 -0.074 0.000 1.032 203 V CB -1.499 30.190 31.823 -0.224 0.000 0.645 203 V HN 1.094 nan 8.190 nan 0.000 0.447 204 H N -0.718 118.302 119.070 -0.083 0.000 2.428 204 H HA -0.118 4.438 4.556 0.000 0.000 0.296 204 H C 1.714 176.972 175.328 -0.117 0.000 1.062 204 H CA 1.664 57.665 56.048 -0.078 0.000 1.350 204 H CB -0.286 29.447 29.762 -0.047 0.000 1.403 204 H HN 0.373 nan 8.280 nan 0.000 0.533 205 D N 1.418 121.389 120.400 -0.716 0.000 2.149 205 D HA 0.001 4.641 4.640 -0.000 0.000 0.201 205 D C 2.390 178.288 176.300 -0.670 0.000 0.972 205 D CA 1.425 55.004 54.000 -0.701 0.000 0.835 205 D CB -0.300 40.177 40.800 -0.538 0.000 0.966 205 D HN 0.531 nan 8.370 nan 0.000 0.476 206 A N 1.256 123.831 122.820 -0.409 0.000 1.877 206 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 206 A C 2.138 179.536 177.584 -0.310 0.000 1.186 206 A CA 0.923 52.769 52.037 -0.318 0.000 0.620 206 A CB -0.510 18.545 19.000 0.092 0.000 0.822 206 A HN 0.107 nan 8.150 nan 0.000 0.443 207 I N 0.506 120.961 120.570 -0.192 0.000 2.127 207 I HA -0.167 4.002 4.170 -0.000 0.000 0.241 207 I C 0.954 176.970 176.117 -0.169 0.000 1.075 207 I CA 0.800 62.029 61.300 -0.118 0.000 1.334 207 I CB -2.052 35.922 38.000 -0.044 0.000 1.040 207 I HN 0.280 nan 8.210 nan 0.000 0.405 211 R N 2.005 122.461 120.500 -0.072 0.000 2.073 211 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 211 R C 1.703 177.976 176.300 -0.045 0.000 1.134 211 R CA 1.807 57.877 56.100 -0.050 0.000 0.952 211 R CB -0.130 30.137 30.300 -0.055 0.000 0.850 211 R HN 0.542 nan 8.270 nan 0.000 0.433 212 K N 0.057 120.425 120.400 -0.054 0.000 2.365 212 K HA -0.046 4.274 4.320 -0.000 0.000 0.199 212 K C 1.771 178.393 176.600 0.035 0.000 1.045 212 K CA 0.759 57.030 56.287 -0.026 0.000 0.962 212 K CB 0.139 32.620 32.500 -0.032 0.000 0.759 212 K HN 0.273 nan 8.250 nan 0.000 0.469 213 L N 0.374 121.635 121.223 0.064 0.000 2.554 213 L HA 0.023 4.362 4.340 -0.000 0.000 0.225 213 L C 1.821 178.768 176.870 0.127 0.000 1.104 213 L CA 0.253 55.209 54.840 0.194 0.000 0.866 213 L CB 0.014 42.183 42.059 0.183 0.000 1.047 213 L HN 0.128 nan 8.230 nan 0.000 0.468 214 E N 1.235 121.451 120.200 0.026 0.000 2.130 214 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 214 E C 1.943 178.502 176.600 -0.069 0.000 0.998 214 E CA 1.619 58.017 56.400 -0.004 0.000 0.806 214 E CB -0.030 29.659 29.700 -0.019 0.000 0.738 214 E HN 0.525 nan 8.360 nan 0.000 0.459 215 K N 0.123 120.403 120.400 -0.200 0.000 2.281 215 K HA -0.174 4.146 4.320 -0.000 0.000 0.203 215 K C 1.009 177.377 176.600 -0.386 0.000 1.046 215 K CA 1.329 57.414 56.287 -0.336 0.000 0.938 215 K CB -0.259 31.945 32.500 -0.494 0.000 0.737 215 K HN 0.196 nan 8.250 nan 0.000 0.458 216 Y N 1.694 121.984 120.300 -0.016 0.000 2.471 216 Y HA 0.078 4.627 4.550 -0.001 0.000 0.286 216 Y C -0.419 175.468 175.900 -0.022 0.000 1.188 216 Y CA -0.337 57.748 58.100 -0.025 0.000 1.286 216 Y CB -0.387 38.056 38.460 -0.029 0.000 1.072 216 Y HN 0.212 nan 8.280 nan 0.000 0.517 217 D N 0.851 121.293 120.400 0.069 0.000 3.133 217 D HA -0.174 4.465 4.640 -0.000 0.000 0.239 217 D C -0.994 175.345 176.300 0.064 0.000 1.136 217 D CA 0.212 54.244 54.000 0.052 0.000 0.898 217 D CB -0.842 39.980 40.800 0.037 0.000 0.959 217 D HN 0.037 nan 8.370 nan 0.000 0.415 218 I N 2.208 122.820 120.570 0.070 0.000 2.342 218 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 218 I C 1.839 177.985 176.117 0.049 0.000 1.010 218 I CA -0.199 61.133 61.300 0.053 0.000 1.308 218 I CB 1.281 39.328 38.000 0.078 0.000 1.400 218 I HN 0.414 nan 8.210 nan 0.000 0.488 219 E N 6.062 126.259 120.200 -0.005 0.000 2.072 219 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 219 E C -0.530 176.168 176.600 0.164 0.000 0.985 219 E CA 1.221 57.636 56.400 0.026 0.000 0.801 219 E CB 0.399 30.056 29.700 -0.072 0.000 0.750 219 E HN 0.548 nan 8.360 nan 0.000 0.452 220 F N -2.078 117.923 119.950 0.085 0.000 2.829 220 F HA 0.444 4.971 4.527 -0.001 0.000 0.319 220 F C -1.755 174.091 175.800 0.076 0.000 1.153 220 F CA -1.395 56.653 58.000 0.080 0.000 0.912 220 F CB 0.676 39.722 39.000 0.077 0.000 1.292 220 F HN -0.292 nan 8.300 nan 0.000 0.447 221 I N 1.850 122.720 120.570 0.499 0.000 2.406 221 I HA 0.354 4.523 4.170 -0.000 0.000 0.290 221 I C -0.639 175.688 176.117 0.349 0.000 0.999 221 I CA -0.608 60.897 61.300 0.342 0.000 1.124 221 I CB 1.901 40.061 38.000 0.266 0.000 1.289 221 I HN 0.723 nan 8.210 nan 0.000 0.441 222 E N 5.205 125.587 120.200 0.303 0.000 2.227 222 E HA 0.123 4.473 4.350 -0.000 0.000 0.282 222 E C -0.350 176.290 176.600 0.065 0.000 1.015 222 E CA -0.574 55.952 56.400 0.210 0.000 0.823 222 E CB 0.778 30.689 29.700 0.352 0.000 1.081 222 E HN 0.423 nan 8.360 nan 0.000 0.396 223 Q N 3.751 123.564 119.800 0.022 0.000 2.429 223 Q HA -0.174 4.166 4.340 -0.000 0.000 0.365 223 Q C -2.031 173.945 176.000 -0.041 0.000 1.384 223 Q CA 0.641 56.431 55.803 -0.021 0.000 1.089 223 Q CB -0.254 28.455 28.738 -0.048 0.000 1.264 223 Q HN 0.484 nan 8.270 nan 0.000 0.342 224 P HA -0.115 nan 4.420 nan 0.000 0.217 224 P C 0.369 177.708 177.300 0.066 0.000 1.151 224 P CA 1.620 64.758 63.100 0.064 0.000 0.828 224 P CB 0.084 31.958 31.700 0.290 0.000 0.788 225 T N -2.824 111.760 114.554 0.050 0.000 2.936 225 T HA 0.357 4.707 4.350 -0.000 0.000 0.282 225 T C 0.118 174.798 174.700 -0.034 0.000 1.003 225 T CA -0.954 61.167 62.100 0.035 0.000 1.005 225 T CB 1.099 69.990 68.868 0.039 0.000 1.097 225 T HN -0.112 nan 8.240 nan 0.000 0.532 226 V N 2.902 122.800 119.914 -0.026 0.000 2.539 226 V HA 0.061 4.180 4.120 -0.000 0.000 0.300 226 V C 1.794 177.755 176.094 -0.221 0.000 1.019 226 V CA 0.996 63.232 62.300 -0.107 0.000 1.160 226 V CB 0.061 31.901 31.823 0.029 0.000 0.901 226 V HN 1.199 nan 8.190 nan 0.000 0.481 227 S N 5.290 120.707 115.700 -0.471 0.000 2.419 227 S HA -0.220 4.249 4.470 -0.000 0.000 0.235 227 S C 1.228 175.599 174.600 -0.381 0.000 1.019 227 S CA 1.750 59.656 58.200 -0.491 0.000 0.982 227 S CB -0.703 62.102 63.200 -0.657 0.000 0.789 227 S HN 0.902 nan 8.310 nan 0.000 0.490 228 W N 1.921 123.233 121.300 0.021 0.000 2.421 228 W HA 0.268 4.927 4.660 -0.001 0.000 0.270 228 W C 1.433 177.968 176.519 0.027 0.000 1.233 228 W CA 0.299 57.652 57.345 0.014 0.000 1.226 228 W CB -0.354 29.112 29.460 0.010 0.000 1.121 228 W HN 0.272 nan 8.180 nan 0.000 0.579 229 S N 1.275 117.076 115.700 0.169 0.000 2.474 229 S HA 0.238 4.708 4.470 -0.000 0.000 0.320 229 S C 1.127 175.775 174.600 0.079 0.000 1.067 229 S CA -0.712 57.565 58.200 0.129 0.000 1.127 229 S CB 0.083 63.358 63.200 0.125 0.000 0.971 229 S HN -0.035 nan 8.310 nan 0.000 0.472 230 I N 6.235 126.852 120.570 0.078 0.000 2.252 230 I HA 0.017 4.187 4.170 -0.000 0.000 0.245 230 I C -0.723 175.430 176.117 0.060 0.000 1.102 230 I CA 0.654 61.987 61.300 0.056 0.000 1.385 230 I CB -2.576 35.456 38.000 0.054 0.000 1.064 230 I HN 0.461 nan 8.210 nan 0.000 0.414 231 P HA -0.087 nan 4.420 nan 0.000 0.216 231 P C 0.757 178.129 177.300 0.120 0.000 1.150 231 P CA 1.310 64.459 63.100 0.083 0.000 0.837 231 P CB 0.031 31.780 31.700 0.082 0.000 0.786 235 H N 0.223 119.310 119.070 0.027 0.000 2.319 235 H HA -0.091 4.465 4.556 -0.001 0.000 0.299 235 H C 1.868 177.217 175.328 0.034 0.000 1.092 235 H CA 2.227 58.293 56.048 0.031 0.000 1.302 235 H CB 0.234 30.018 29.762 0.038 0.000 1.373 235 H HN 0.199 nan 8.280 nan 0.000 0.497 236 V N 1.013 121.036 119.914 0.182 0.000 2.358 236 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 236 V C 2.628 178.785 176.094 0.105 0.000 1.047 236 V CA 1.972 64.335 62.300 0.105 0.000 1.035 236 V CB -0.610 31.246 31.823 0.055 0.000 0.658 236 V HN 0.416 nan 8.190 nan 0.000 0.452 237 R N 0.345 120.899 120.500 0.091 0.000 2.083 237 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 237 R C 2.203 178.540 176.300 0.063 0.000 1.137 237 R CA 2.082 58.223 56.100 0.068 0.000 0.951 237 R CB -0.222 30.106 30.300 0.047 0.000 0.851 237 R HN 0.616 nan 8.270 nan 0.000 0.434 238 E N -0.346 119.894 120.200 0.067 0.000 2.338 238 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 238 E C 1.712 178.343 176.600 0.052 0.000 1.007 238 E CA 0.852 57.281 56.400 0.048 0.000 0.849 238 E CB 0.150 29.868 29.700 0.031 0.000 0.774 238 E HN 0.125 nan 8.360 nan 0.000 0.506 239 K N 0.751 121.198 120.400 0.078 0.000 2.168 239 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 239 K C 0.740 177.370 176.600 0.049 0.000 1.049 239 K CA 0.299 56.628 56.287 0.070 0.000 0.974 239 K CB 0.238 32.803 32.500 0.108 0.000 0.792 239 K HN 0.024 nan 8.250 nan 0.000 0.463 240 V N -0.976 118.969 119.914 0.052 0.000 2.953 240 V HA 0.440 4.560 4.120 -0.000 0.000 0.304 240 V C 1.163 177.283 176.094 0.042 0.000 1.073 240 V CA -0.005 62.319 62.300 0.040 0.000 1.064 240 V CB 1.195 33.045 31.823 0.045 0.000 1.047 240 V HN 0.223 nan 8.190 nan 0.000 0.478 241 G N 1.987 110.809 108.800 0.036 0.000 2.623 241 G HA2 0.191 4.151 3.960 -0.000 0.000 0.214 241 G HA3 0.191 4.151 3.960 -0.000 0.000 0.214 241 G C 0.539 175.471 174.900 0.054 0.000 1.138 241 G CA -0.115 45.008 45.100 0.037 0.000 0.794 241 G HN 0.665 nan 8.290 nan 0.000 0.535 242 I N 1.594 122.206 120.570 0.071 0.000 2.396 242 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 242 I C -2.181 174.007 176.117 0.119 0.000 0.999 242 I CA -2.259 59.102 61.300 0.101 0.000 1.310 242 I CB 1.853 39.926 38.000 0.121 0.000 1.404 242 I HN -0.146 nan 8.210 nan 0.000 0.496 243 P HA 0.095 nan 4.420 nan 0.000 0.267 243 P C -0.888 176.495 177.300 0.138 0.000 1.200 243 P CA 0.084 63.259 63.100 0.124 0.000 0.772 243 P CB 0.429 32.218 31.700 0.149 0.000 0.855 244 I N 2.927 123.532 120.570 0.058 0.000 2.378 244 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 244 I C -0.119 175.944 176.117 -0.090 0.000 0.992 244 I CA -0.701 60.620 61.300 0.035 0.000 1.154 244 I CB 1.546 39.575 38.000 0.049 0.000 1.315 244 I HN 0.023 nan 8.210 nan 0.000 0.448 245 V N 5.283 125.095 119.914 -0.170 0.000 2.483 245 V HA 0.646 4.766 4.120 -0.000 0.000 0.295 245 V C 0.539 176.542 176.094 -0.152 0.000 1.035 245 V CA -0.800 61.316 62.300 -0.306 0.000 0.896 245 V CB 1.742 33.125 31.823 -0.735 0.000 0.986 245 V HN 0.871 nan 8.190 nan 0.000 0.447 246 A N 2.744 125.481 122.820 -0.138 0.000 2.354 246 A HA 0.585 4.904 4.320 -0.000 0.000 0.269 246 A C 0.198 177.711 177.584 -0.118 0.000 1.109 246 A CA 0.010 51.989 52.037 -0.097 0.000 0.800 246 A CB 0.770 19.725 19.000 -0.076 0.000 1.045 246 A HN 0.919 nan 8.150 nan 0.000 0.489 247 D N 0.034 120.362 120.400 -0.121 0.000 2.973 247 D HA 0.021 4.661 4.640 -0.000 0.000 0.187 247 D C 1.395 177.575 176.300 -0.201 0.000 1.467 247 D CA 0.353 54.225 54.000 -0.213 0.000 1.515 247 D CB -0.316 40.363 40.800 -0.203 0.000 1.182 247 D HN 0.394 nan 8.370 nan 0.000 0.213 248 Q N 0.413 120.129 119.800 -0.140 0.000 2.439 248 Q HA 0.186 4.526 4.340 -0.000 0.000 0.211 248 Q C 1.641 177.671 176.000 0.050 0.000 0.978 248 Q CA 1.249 57.066 55.803 0.022 0.000 0.897 248 Q CB -0.147 28.549 28.738 -0.070 0.000 0.956 248 Q HN 0.353 nan 8.270 nan 0.000 0.483 249 A N 0.180 122.983 122.820 -0.028 0.000 2.067 249 A HA 0.311 4.631 4.320 -0.000 0.000 0.217 249 A C 1.084 178.720 177.584 0.086 0.000 1.156 249 A CA 0.779 52.811 52.037 -0.008 0.000 0.683 249 A CB 0.088 19.069 19.000 -0.031 0.000 0.808 249 A HN 0.239 nan 8.150 nan 0.000 0.455 250 A N -1.343 121.531 122.820 0.090 0.000 2.394 250 A HA 0.677 4.996 4.320 -0.000 0.000 0.333 250 A C -0.066 177.594 177.584 0.125 0.000 1.397 250 A CA -0.473 51.617 52.037 0.089 0.000 0.884 250 A CB 0.047 19.038 19.000 -0.015 0.000 1.147 250 A HN 0.232 nan 8.150 nan 0.000 0.505 251 F N 0.951 120.899 119.950 -0.003 0.000 2.532 251 F HA 0.125 4.652 4.527 -0.001 0.000 0.278 251 F C 1.878 177.693 175.800 0.025 0.000 0.975 251 F CA 1.531 59.537 58.000 0.010 0.000 1.292 251 F CB 0.125 39.149 39.000 0.039 0.000 1.112 251 F HN 0.524 nan 8.300 nan 0.000 0.703 252 T N -1.333 113.380 114.554 0.265 0.000 2.912 252 T HA 0.278 4.628 4.350 -0.000 0.000 0.280 252 T C 0.994 175.764 174.700 0.115 0.000 0.989 252 T CA -0.494 61.721 62.100 0.191 0.000 0.995 252 T CB 1.291 70.320 68.868 0.269 0.000 1.077 252 T HN 0.084 nan 8.240 nan 0.000 0.531 253 L N 0.427 121.671 121.223 0.035 0.000 2.083 253 L HA 0.048 4.388 4.340 -0.000 0.000 0.209 253 L C 2.155 178.942 176.870 -0.139 0.000 1.083 253 L CA 1.653 56.414 54.840 -0.131 0.000 0.752 253 L CB -1.115 40.747 42.059 -0.328 0.000 0.899 253 L HN 0.816 nan 8.230 nan 0.000 0.433 254 Y N -0.613 119.737 120.300 0.084 0.000 2.314 254 Y HA -0.161 4.389 4.550 -0.001 0.000 0.293 254 Y C 2.380 178.371 175.900 0.151 0.000 1.129 254 Y CA 1.131 59.304 58.100 0.122 0.000 1.201 254 Y CB -0.524 37.995 38.460 0.098 0.000 0.999 254 Y HN 0.237 nan 8.280 nan 0.000 0.541 255 D N -0.331 120.222 120.400 0.254 0.000 2.117 255 D HA -0.145 4.494 4.640 -0.000 0.000 0.198 255 D C 2.369 178.744 176.300 0.126 0.000 0.982 255 D CA 1.288 55.398 54.000 0.184 0.000 0.828 255 D CB -0.431 40.476 40.800 0.178 0.000 0.967 255 D HN 0.151 nan 8.370 nan 0.000 0.464 256 V N 0.769 120.742 119.914 0.098 0.000 2.287 256 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 256 V C 2.262 178.402 176.094 0.077 0.000 1.053 256 V CA 1.489 63.821 62.300 0.053 0.000 1.027 256 V CB -0.702 31.133 31.823 0.019 0.000 0.646 256 V HN 0.175 nan 8.190 nan 0.000 0.447 257 Y N 1.125 121.416 120.300 -0.015 0.000 2.181 257 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 257 Y C 2.627 178.540 175.900 0.021 0.000 1.146 257 Y CA 1.867 59.961 58.100 -0.010 0.000 1.164 257 Y CB -0.165 38.284 38.460 -0.018 0.000 0.982 257 Y HN 0.230 nan 8.280 nan 0.000 0.515 258 E N 0.410 120.642 120.200 0.054 0.000 2.077 258 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 258 E C 2.363 178.919 176.600 -0.073 0.000 0.989 258 E CA 1.681 58.066 56.400 -0.026 0.000 0.800 258 E CB -0.458 29.294 29.700 0.087 0.000 0.746 258 E HN 0.608 nan 8.360 nan 0.000 0.452 259 I N 0.326 120.876 120.570 -0.033 0.000 2.226 259 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 259 I C 2.549 178.617 176.117 -0.081 0.000 1.100 259 I CA 0.764 62.040 61.300 -0.041 0.000 1.374 259 I CB -0.289 37.697 38.000 -0.023 0.000 1.057 259 I HN 0.113 nan 8.210 nan 0.000 0.413 260 C N 0.223 119.457 119.300 -0.111 0.000 2.432 260 C HA -0.157 4.302 4.460 -0.000 0.000 0.277 260 C C 2.967 177.845 174.990 -0.186 0.000 1.249 260 C CA 0.844 59.784 59.018 -0.131 0.000 1.725 260 C CB -1.140 26.529 27.740 -0.117 0.000 2.028 260 C HN 0.455 nan 8.230 nan 0.000 0.477 261 R N 0.732 121.036 120.500 -0.326 0.000 2.096 261 R HA -0.193 4.146 4.340 -0.000 0.000 0.240 261 R C 1.901 178.101 176.300 -0.166 0.000 1.139 261 R CA 1.746 57.646 56.100 -0.335 0.000 0.952 261 R CB -0.235 29.760 30.300 -0.507 0.000 0.854 261 R HN 0.636 nan 8.270 nan 0.000 0.436 262 Q N -0.073 119.653 119.800 -0.123 0.000 2.403 262 Q HA 0.110 4.450 4.340 -0.000 0.000 0.203 262 Q C -0.422 175.549 176.000 -0.048 0.000 0.932 262 Q CA -0.227 55.538 55.803 -0.064 0.000 0.945 262 Q CB 0.714 29.430 28.738 -0.037 0.000 1.045 262 Q HN 0.150 nan 8.270 nan 0.000 0.511 263 R N -0.782 119.682 120.500 -0.061 0.000 3.405 263 R HA -0.225 4.114 4.340 -0.000 0.000 0.258 263 R C 0.435 176.719 176.300 -0.027 0.000 1.030 263 R CA 0.805 56.879 56.100 -0.043 0.000 0.691 263 R CB -2.601 27.680 30.300 -0.033 0.000 1.093 263 R HN 0.413 nan 8.270 nan 0.000 0.448 264 A N -0.900 121.904 122.820 -0.027 0.000 2.206 264 A HA 0.492 4.812 4.320 -0.000 0.000 0.211 264 A C 0.944 178.520 177.584 -0.013 0.000 1.158 264 A CA 1.110 53.141 52.037 -0.009 0.000 0.761 264 A CB 0.330 19.329 19.000 -0.003 0.000 0.801 264 A HN 0.728 nan 8.150 nan 0.000 0.473 265 A N -0.858 121.943 122.820 -0.031 0.000 2.610 265 A HA 0.590 4.910 4.320 -0.000 0.000 0.291 265 A C -1.497 176.052 177.584 -0.059 0.000 1.086 265 A CA -0.753 51.256 52.037 -0.047 0.000 0.677 265 A CB 0.677 19.635 19.000 -0.069 0.000 1.278 265 A HN 0.096 nan 8.150 nan 0.000 0.414 269 C N 8.010 127.227 119.300 -0.138 0.000 2.225 269 C HA 0.805 5.265 4.460 -0.000 0.000 0.328 269 C C -0.186 174.719 174.990 -0.141 0.000 1.187 269 C CA -0.252 58.698 59.018 -0.113 0.000 1.665 269 C CB -0.688 27.010 27.740 -0.070 0.000 2.253 269 C HN 0.678 nan 8.230 nan 0.000 0.497 270 I N 4.789 125.293 120.570 -0.110 0.000 2.913 270 I HA 0.781 4.951 4.170 -0.000 0.000 0.302 270 I C -0.063 175.995 176.117 -0.098 0.000 1.246 270 I CA -0.050 61.168 61.300 -0.137 0.000 1.010 270 I CB 2.247 40.160 38.000 -0.145 0.000 1.259 270 I HN 0.719 nan 8.210 nan 0.000 0.434 271 G N 4.455 113.185 108.800 -0.116 0.000 2.733 271 G HA2 0.513 4.472 3.960 -0.000 0.000 0.288 271 G HA3 0.513 4.472 3.960 -0.000 0.000 0.288 271 G C -2.549 172.279 174.900 -0.121 0.000 1.373 271 G CA -0.964 44.069 45.100 -0.113 0.000 0.895 271 G HN 0.386 nan 8.290 nan 0.000 0.479 272 P HA -0.222 nan 4.420 nan 0.000 0.216 272 P C 1.522 178.786 177.300 -0.061 0.000 1.150 272 P CA 0.790 63.855 63.100 -0.059 0.000 0.843 272 P CB 0.224 31.909 31.700 -0.026 0.000 0.787 273 R N 0.938 121.383 120.500 -0.091 0.000 2.120 273 R HA -0.154 4.185 4.340 -0.000 0.000 0.234 273 R C 1.743 177.985 176.300 -0.096 0.000 1.123 273 R CA 1.755 57.807 56.100 -0.080 0.000 0.975 273 R CB -0.331 29.903 30.300 -0.110 0.000 0.866 273 R HN 0.175 nan 8.270 nan 0.000 0.446 274 E N -0.032 120.022 120.200 -0.244 0.000 2.075 274 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 274 E C 1.693 178.230 176.600 -0.105 0.000 0.969 274 E CA 0.758 56.907 56.400 -0.418 0.000 0.815 274 E CB -0.186 28.875 29.700 -1.064 0.000 0.776 274 E HN 0.186 nan 8.360 nan 0.000 0.457 275 I N -0.636 119.873 120.570 -0.103 0.000 3.059 275 I HA 0.157 4.327 4.170 -0.000 0.000 0.270 275 I C 1.105 177.214 176.117 -0.013 0.000 1.238 275 I CA 1.117 62.394 61.300 -0.038 0.000 1.478 275 I CB 0.248 38.210 38.000 -0.063 0.000 1.097 275 I HN 0.243 nan 8.210 nan 0.000 0.455 276 G N -0.412 108.390 108.800 0.002 0.000 2.143 276 G HA2 0.178 4.138 3.960 -0.000 0.000 0.175 276 G HA3 0.178 4.138 3.960 -0.000 0.000 0.175 276 G C 0.655 175.590 174.900 0.058 0.000 1.004 276 G CA -0.315 44.809 45.100 0.040 0.000 0.671 276 G HN 1.220 nan 8.290 nan 0.000 0.512 277 G N -1.321 107.499 108.800 0.033 0.000 2.316 277 G HA2 0.216 4.176 3.960 -0.000 0.000 0.349 277 G HA3 0.216 4.176 3.960 -0.000 0.000 0.349 277 G C 0.731 175.631 174.900 0.001 0.000 1.274 277 G CA -0.082 45.049 45.100 0.053 0.000 1.018 277 G HN 0.787 nan 8.290 nan 0.000 0.486 278 I N 0.197 120.762 120.570 -0.008 0.000 2.133 278 I HA -0.115 4.055 4.170 -0.000 0.000 0.238 278 I C 2.915 178.902 176.117 -0.218 0.000 1.074 278 I CA 2.073 63.291 61.300 -0.136 0.000 1.342 278 I CB -0.331 37.522 38.000 -0.245 0.000 1.053 278 I HN 0.702 nan 8.210 nan 0.000 0.404 279 Q N 1.060 120.714 119.800 -0.244 0.000 2.096 279 Q HA -0.114 4.225 4.340 -0.000 0.000 0.204 279 Q C -1.261 174.682 176.000 -0.095 0.000 0.982 279 Q CA 1.144 56.832 55.803 -0.192 0.000 0.850 279 Q CB -0.918 27.839 28.738 0.032 0.000 0.901 279 Q HN 0.321 nan 8.270 nan 0.000 0.422 284 A N 1.763 124.533 122.820 -0.084 0.000 1.902 284 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 284 A C 2.273 179.815 177.584 -0.070 0.000 1.181 284 A CA 2.111 54.103 52.037 -0.074 0.000 0.623 284 A CB -0.606 18.349 19.000 -0.074 0.000 0.818 284 A HN 0.340 nan 8.150 nan 0.000 0.443 285 A N -0.134 122.637 122.820 -0.082 0.000 1.933 285 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 285 A C 2.483 180.021 177.584 -0.077 0.000 1.175 285 A CA 2.008 53.993 52.037 -0.087 0.000 0.628 285 A CB -0.946 17.991 19.000 -0.105 0.000 0.814 285 A HN 1.025 nan 8.150 nan 0.000 0.444 286 A N -0.561 122.216 122.820 -0.072 0.000 1.902 286 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 286 A C 2.232 179.792 177.584 -0.039 0.000 1.181 286 A CA 1.757 53.758 52.037 -0.059 0.000 0.623 286 A CB -0.897 18.069 19.000 -0.057 0.000 0.818 286 A HN 0.368 nan 8.150 nan 0.000 0.443 287 V N -0.120 119.775 119.914 -0.032 0.000 2.295 287 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 287 V C 3.078 179.176 176.094 0.005 0.000 1.049 287 V CA 1.981 64.287 62.300 0.009 0.000 1.024 287 V CB -1.268 30.575 31.823 0.032 0.000 0.648 287 V HN 0.616 nan 8.190 nan 0.000 0.447 288 A N -0.508 122.299 122.820 -0.022 0.000 1.908 288 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 288 A C 2.292 179.853 177.584 -0.038 0.000 1.181 288 A CA 2.134 54.150 52.037 -0.035 0.000 0.627 288 A CB -0.566 18.402 19.000 -0.054 0.000 0.818 288 A HN 0.643 nan 8.150 nan 0.000 0.445 289 E N -0.146 120.027 120.200 -0.045 0.000 2.058 289 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 289 E C 2.117 178.699 176.600 -0.029 0.000 0.997 289 E CA 1.109 57.481 56.400 -0.047 0.000 0.801 289 E CB -0.276 29.388 29.700 -0.060 0.000 0.746 289 E HN 0.536 nan 8.360 nan 0.000 0.450 290 A N 0.769 123.578 122.820 -0.017 0.000 2.019 290 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 290 A C 2.169 179.752 177.584 -0.002 0.000 1.164 290 A CA 1.590 53.625 52.037 -0.003 0.000 0.644 290 A CB -0.416 18.592 19.000 0.014 0.000 0.805 290 A HN 0.373 nan 8.150 nan 0.000 0.449 291 A N -1.733 121.081 122.820 -0.009 0.000 2.275 291 A HA 0.438 4.758 4.320 -0.000 0.000 0.212 291 A C 1.616 179.185 177.584 -0.026 0.000 1.201 291 A CA 1.009 53.034 52.037 -0.020 0.000 0.843 291 A CB -0.898 18.083 19.000 -0.032 0.000 0.873 291 A HN 1.858 nan 8.150 nan 0.000 0.492 292 G N -0.773 108.012 108.800 -0.025 0.000 2.198 292 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.257 292 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.257 292 G C -0.135 174.746 174.900 -0.032 0.000 1.042 292 G CA 0.580 45.665 45.100 -0.026 0.000 0.791 292 G HN 0.483 nan 8.290 nan 0.000 0.502 293 L N -1.282 119.918 121.223 -0.040 0.000 2.323 293 L HA 0.668 5.007 4.340 -0.000 0.000 0.265 293 L C 0.501 177.337 176.870 -0.057 0.000 1.012 293 L CA -1.199 53.612 54.840 -0.049 0.000 0.820 293 L CB 1.915 43.941 42.059 -0.055 0.000 1.334 293 L HN 0.029 nan 8.230 nan 0.000 0.427 294 K N 1.366 121.728 120.400 -0.063 0.000 2.139 294 K HA 0.622 4.942 4.320 -0.000 0.000 0.243 294 K C -1.098 175.451 176.600 -0.085 0.000 0.983 294 K CA -0.871 55.373 56.287 -0.071 0.000 0.890 294 K CB 1.939 34.405 32.500 -0.057 0.000 1.090 294 K HN 0.253 nan 8.250 nan 0.000 0.445 295 I N 1.126 121.640 120.570 -0.093 0.000 2.441 295 I HA 0.205 4.374 4.170 -0.000 0.000 0.295 295 I C -0.340 175.713 176.117 -0.106 0.000 0.994 295 I CA -0.738 60.501 61.300 -0.102 0.000 1.144 295 I CB 1.358 39.294 38.000 -0.106 0.000 1.314 295 I HN 0.657 nan 8.210 nan 0.000 0.445 296 C N 7.663 126.899 119.300 -0.107 0.000 2.345 296 C HA 0.573 5.033 4.460 -0.000 0.000 0.323 296 C C 0.191 175.108 174.990 -0.122 0.000 1.276 296 C CA -0.635 58.318 59.018 -0.109 0.000 1.543 296 C CB -0.045 27.657 27.740 -0.063 0.000 2.211 296 C HN 0.640 nan 8.230 nan 0.000 0.493 297 I N 5.647 126.121 120.570 -0.160 0.000 2.452 297 I HA 0.126 4.295 4.170 -0.000 0.000 0.287 297 I C 0.370 176.387 176.117 -0.167 0.000 1.079 297 I CA 0.396 61.605 61.300 -0.152 0.000 1.387 297 I CB 0.184 38.090 38.000 -0.157 0.000 1.404 297 I HN 0.718 nan 8.210 nan 0.000 0.522 298 H N 5.869 124.802 119.070 -0.229 0.000 2.527 298 H HA 0.325 4.881 4.556 -0.000 0.000 0.321 298 H C -0.046 175.121 175.328 -0.268 0.000 1.087 298 H CA 0.102 55.997 56.048 -0.256 0.000 1.337 298 H CB 1.290 30.910 29.762 -0.236 0.000 1.440 298 H HN 0.600 nan 8.280 nan 0.000 0.490 299 S N 2.669 117.900 115.700 -0.781 0.000 2.521 299 S HA 0.756 5.226 4.470 -0.000 0.000 0.278 299 S C -0.737 173.393 174.600 -0.784 0.000 1.140 299 S CA 0.052 57.883 58.200 -0.616 0.000 1.028 299 S CB 0.229 63.149 63.200 -0.466 0.000 1.203 299 S HN 0.909 nan 8.310 nan 0.000 0.491 300 S N -0.515 114.812 115.700 -0.621 0.000 2.643 300 S HA 0.551 5.021 4.470 -0.000 0.000 0.270 300 S C -1.491 172.674 174.600 -0.724 0.000 1.166 300 S CA -0.728 57.037 58.200 -0.725 0.000 0.815 300 S CB 0.102 63.019 63.200 -0.472 0.000 1.139 300 S HN 0.393 nan 8.310 nan 0.000 0.472 301 F N 2.758 122.310 119.950 -0.664 0.000 2.678 301 F HA 0.390 4.917 4.527 -0.001 0.000 0.358 301 F C 1.501 176.724 175.800 -0.962 0.000 1.256 301 F CA -0.107 57.083 58.000 -1.351 0.000 1.278 301 F CB -1.057 36.869 39.000 -1.790 0.000 1.681 301 F HN 0.839 nan 8.300 nan 0.000 0.661 302 T N -3.341 111.005 114.554 -0.346 0.000 2.598 302 T HA 0.743 5.093 4.350 -0.000 0.000 0.254 302 T C 0.381 175.115 174.700 0.057 0.000 0.889 302 T CA -0.346 61.684 62.100 -0.117 0.000 1.091 302 T CB 1.647 70.440 68.868 -0.125 0.000 1.437 302 T HN 0.202 nan 8.240 nan 0.000 0.542 303 T N -2.940 111.633 114.554 0.032 0.000 2.844 303 T HA 0.595 4.944 4.350 -0.000 0.000 0.274 303 T C 1.683 176.400 174.700 0.028 0.000 0.991 303 T CA -0.101 62.038 62.100 0.065 0.000 0.983 303 T CB 0.677 69.543 68.868 -0.004 0.000 1.310 303 T HN 0.880 nan 8.240 nan 0.000 0.596 304 G N -0.384 108.406 108.800 -0.016 0.000 2.498 304 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.219 304 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.219 304 G C 1.354 176.093 174.900 -0.268 0.000 1.119 304 G CA 0.458 45.469 45.100 -0.148 0.000 0.766 304 G HN 0.722 nan 8.290 nan 0.000 0.552 305 I N 0.617 120.967 120.570 -0.367 0.000 2.179 305 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 305 I C 2.933 178.959 176.117 -0.151 0.000 1.088 305 I CA 1.434 62.415 61.300 -0.532 0.000 1.357 305 I CB -0.546 37.157 38.000 -0.495 0.000 1.051 305 I HN 0.062 nan 8.210 nan 0.000 0.409 306 T N 0.062 114.567 114.554 -0.082 0.000 2.788 306 T HA -0.148 4.201 4.350 -0.000 0.000 0.268 306 T C 1.888 176.606 174.700 0.029 0.000 1.044 306 T CA 1.891 63.983 62.100 -0.014 0.000 1.139 306 T CB -0.290 68.549 68.868 -0.049 0.000 0.867 306 T HN 0.371 nan 8.240 nan 0.000 0.454 307 T N 1.125 115.691 114.554 0.020 0.000 2.720 307 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 307 T C 2.274 177.067 174.700 0.154 0.000 1.037 307 T CA 1.286 63.426 62.100 0.066 0.000 1.144 307 T CB -0.688 68.186 68.868 0.009 0.000 0.864 307 T HN 0.455 nan 8.240 nan 0.000 0.444 308 C N 1.382 120.775 119.300 0.155 0.000 2.446 308 C HA 0.171 4.631 4.460 -0.000 0.000 0.277 308 C C 3.224 178.484 174.990 0.449 0.000 1.275 308 C CA 0.190 59.414 59.018 0.344 0.000 1.727 308 C CB -1.418 26.567 27.740 0.408 0.000 2.010 308 C HN 0.663 nan 8.230 nan 0.000 0.486 309 A N 0.904 123.916 122.820 0.320 0.000 1.877 309 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 309 A C 1.984 179.702 177.584 0.224 0.000 1.186 309 A CA 1.770 53.973 52.037 0.276 0.000 0.620 309 A CB -0.632 18.475 19.000 0.178 0.000 0.822 309 A HN 0.715 nan 8.150 nan 0.000 0.443 310 E N -1.341 118.956 120.200 0.163 0.000 2.204 310 E HA -0.213 4.136 4.350 -0.000 0.000 0.195 310 E C 1.981 178.662 176.600 0.134 0.000 0.990 310 E CA 0.968 57.429 56.400 0.102 0.000 0.821 310 E CB -0.325 29.410 29.700 0.058 0.000 0.750 310 E HN 0.815 nan 8.360 nan 0.000 0.477 311 H N 0.809 119.953 119.070 0.123 0.000 2.326 311 H HA -0.108 4.447 4.556 -0.000 0.000 0.301 311 H C 1.907 177.198 175.328 -0.061 0.000 1.081 311 H CA 1.430 57.506 56.048 0.047 0.000 1.334 311 H CB 0.123 29.921 29.762 0.060 0.000 1.385 311 H HN 0.284 nan 8.280 nan 0.000 0.504 312 H N 0.266 119.465 119.070 0.215 0.000 2.389 312 H HA -0.072 4.484 4.556 -0.001 0.000 0.299 312 H C 2.697 178.033 175.328 0.013 0.000 1.081 312 H CA 1.233 57.371 56.048 0.150 0.000 1.345 312 H CB 0.191 30.099 29.762 0.243 0.000 1.393 312 H HN 0.382 nan 8.280 nan 0.000 0.520 313 I N 0.152 120.781 120.570 0.097 0.000 2.179 313 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 313 I C 2.851 178.924 176.117 -0.073 0.000 1.088 313 I CA 1.217 62.510 61.300 -0.011 0.000 1.357 313 I CB -0.511 37.472 38.000 -0.029 0.000 1.051 313 I HN 0.217 nan 8.210 nan 0.000 0.409 314 G N 1.012 109.739 108.800 -0.122 0.000 2.440 314 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.218 314 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.218 314 G C 1.715 176.492 174.900 -0.205 0.000 1.154 314 G CA 0.589 45.572 45.100 -0.194 0.000 0.767 314 G HN 0.277 nan 8.290 nan 0.000 0.552 315 L N 0.474 121.542 121.223 -0.260 0.000 2.093 315 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 315 L C 3.198 180.046 176.870 -0.036 0.000 1.085 315 L CA 0.967 55.660 54.840 -0.244 0.000 0.755 315 L CB -0.250 41.540 42.059 -0.449 0.000 0.904 315 L HN 0.311 nan 8.230 nan 0.000 0.435 316 A N -0.559 122.272 122.820 0.018 0.000 2.208 316 A HA 0.162 4.481 4.320 -0.000 0.000 0.209 316 A C 1.067 178.679 177.584 0.047 0.000 1.161 316 A CA 0.154 52.257 52.037 0.111 0.000 0.782 316 A CB -0.349 18.688 19.000 0.061 0.000 0.816 316 A HN 0.270 nan 8.150 nan 0.000 0.477 317 I N 1.300 121.825 120.570 -0.075 0.000 2.315 317 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 317 I C -1.273 174.628 176.117 -0.361 0.000 1.006 317 I CA -2.041 59.136 61.300 -0.204 0.000 1.265 317 I CB 1.944 39.850 38.000 -0.157 0.000 1.387 317 I HN 0.078 nan 8.210 nan 0.000 0.475 318 P HA -0.123 nan 4.420 nan 0.000 0.216 318 P C 0.173 177.319 177.300 -0.256 0.000 1.153 318 P CA 1.222 63.942 63.100 -0.634 0.000 0.844 318 P CB -0.048 31.257 31.700 -0.658 0.000 0.787 319 N N 0.970 119.550 118.700 -0.201 0.000 3.331 319 N HA 0.161 4.900 4.740 -0.000 0.000 0.303 319 N C -0.497 174.947 175.510 -0.111 0.000 1.326 319 N CA -0.315 52.661 53.050 -0.124 0.000 1.207 319 N CB -0.351 38.074 38.487 -0.104 0.000 1.477 319 N HN 0.116 nan 8.380 nan 0.000 0.541 320 L N 0.318 121.477 121.223 -0.107 0.000 2.331 320 L HA 0.448 4.787 4.340 -0.000 0.000 0.275 320 L C 0.032 176.856 176.870 -0.077 0.000 1.022 320 L CA -0.607 54.170 54.840 -0.104 0.000 0.812 320 L CB 1.499 43.482 42.059 -0.126 0.000 1.257 320 L HN 0.170 nan 8.230 nan 0.000 0.435 321 D N 0.485 120.834 120.400 -0.085 0.000 2.384 321 D HA 0.114 4.754 4.640 -0.000 0.000 0.244 321 D C -0.168 176.072 176.300 -0.100 0.000 1.251 321 D CA 0.332 54.297 54.000 -0.059 0.000 0.961 321 D CB 0.846 41.620 40.800 -0.043 0.000 1.116 321 D HN 0.675 nan 8.370 nan 0.000 0.484 322 D N -0.130 120.212 120.400 -0.096 0.000 2.571 322 D HA 0.183 4.822 4.640 -0.000 0.000 0.239 322 D C 0.359 176.480 176.300 -0.298 0.000 1.267 322 D CA -0.424 53.452 54.000 -0.207 0.000 0.823 322 D CB 0.110 40.842 40.800 -0.114 0.000 1.056 322 D HN 0.329 nan 8.370 nan 0.000 0.494 323 G N 0.470 109.160 108.800 -0.185 0.000 4.716 323 G HA2 0.077 4.036 3.960 -0.000 0.000 0.282 323 G HA3 0.077 4.036 3.960 -0.000 0.000 0.282 323 G C -0.062 174.713 174.900 -0.207 0.000 1.173 323 G CA -0.585 44.445 45.100 -0.116 0.000 0.913 323 G HN -0.043 nan 8.290 nan 0.000 0.566 324 N N 1.065 119.548 118.700 -0.362 0.000 2.416 324 N HA 0.047 4.786 4.740 -0.000 0.000 0.246 324 N C 0.334 175.440 175.510 -0.674 0.000 1.260 324 N CA 0.399 53.182 53.050 -0.446 0.000 0.897 324 N CB 0.929 39.132 38.487 -0.475 0.000 1.110 324 N HN 0.400 nan 8.380 nan 0.000 0.439 325 Q N 0.718 119.999 119.800 -0.865 0.000 2.368 325 Q HA 0.510 4.850 4.340 -0.000 0.000 0.237 325 Q C -0.036 175.663 176.000 -0.502 0.000 0.987 325 Q CA 0.094 55.068 55.803 -1.382 0.000 0.896 325 Q CB 1.671 29.808 28.738 -1.003 0.000 1.241 325 Q HN 0.582 nan 8.270 nan 0.000 0.485 329 Q N 2.676 121.746 119.800 -1.216 0.000 2.515 329 Q HA 0.017 4.356 4.340 -0.000 0.000 0.212 329 Q C 1.434 177.171 176.000 -0.438 0.000 0.970 329 Q CA 1.125 56.234 55.803 -1.156 0.000 0.941 329 Q CB -0.699 27.410 28.738 -1.048 0.000 0.998 329 Q HN 0.575 nan 8.270 nan 0.000 0.518 330 L N 0.486 121.588 121.223 -0.201 0.000 2.509 330 L HA 0.141 4.480 4.340 -0.000 0.000 0.222 330 L C 0.470 177.229 176.870 -0.185 0.000 1.123 330 L CA -0.171 54.611 54.840 -0.097 0.000 0.856 330 L CB 0.415 42.519 42.059 0.074 0.000 0.985 330 L HN -0.075 nan 8.230 nan 0.000 0.456 331 V N 0.359 120.197 119.914 -0.127 0.000 2.530 331 V HA -0.014 4.105 4.120 -0.000 0.000 0.282 331 V C 1.148 177.201 176.094 -0.068 0.000 1.048 331 V CA -0.174 62.066 62.300 -0.100 0.000 0.997 331 V CB 1.431 33.280 31.823 0.044 0.000 0.987 331 V HN 0.224 nan 8.190 nan 0.000 0.477 332 Q N 3.649 123.403 119.800 -0.077 0.000 2.050 332 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 332 Q C 0.488 176.490 176.000 0.003 0.000 0.980 332 Q CA 1.847 57.624 55.803 -0.043 0.000 0.840 332 Q CB 0.154 28.864 28.738 -0.047 0.000 0.898 332 Q HN 0.834 nan 8.270 nan 0.000 0.424 333 E N 1.018 121.229 120.200 0.018 0.000 2.580 333 E HA 0.154 4.504 4.350 -0.000 0.000 0.248 333 E C -1.538 175.102 176.600 0.067 0.000 1.018 333 E CA -0.419 56.009 56.400 0.047 0.000 0.775 333 E CB 0.880 30.596 29.700 0.027 0.000 1.378 333 E HN 0.190 nan 8.360 nan 0.000 0.401 334 D N 1.859 122.335 120.400 0.127 0.000 2.423 334 D HA -0.009 4.631 4.640 -0.000 0.000 0.238 334 D C 1.257 177.587 176.300 0.050 0.000 1.142 334 D CA 0.006 54.088 54.000 0.137 0.000 0.884 334 D CB 0.865 41.836 40.800 0.285 0.000 1.199 334 D HN 0.525 nan 8.370 nan 0.000 0.438 335 I N -0.128 120.446 120.570 0.007 0.000 3.564 335 I HA 0.118 4.288 4.170 -0.000 0.000 0.294 335 I C -0.110 175.965 176.117 -0.071 0.000 1.289 335 I CA -0.222 61.060 61.300 -0.030 0.000 1.325 335 I CB -0.055 37.919 38.000 -0.042 0.000 1.039 335 I HN -0.044 nan 8.210 nan 0.000 0.474 336 V N 2.786 122.634 119.914 -0.110 0.000 2.368 336 V HA 0.116 4.236 4.120 -0.000 0.000 0.266 336 V C 1.516 177.546 176.094 -0.107 0.000 1.045 336 V CA 0.405 62.615 62.300 -0.149 0.000 0.899 336 V CB 1.140 32.803 31.823 -0.267 0.000 1.006 336 V HN 0.514 nan 8.190 nan 0.000 0.470 337 S N 2.836 118.502 115.700 -0.057 0.000 2.446 337 S HA 0.077 4.547 4.470 -0.000 0.000 0.225 337 S C 0.814 175.368 174.600 -0.077 0.000 1.016 337 S CA 0.527 58.698 58.200 -0.048 0.000 0.943 337 S CB 0.238 63.427 63.200 -0.019 0.000 0.786 337 S HN 0.689 nan 8.310 nan 0.000 0.508 338 S N 1.494 117.139 115.700 -0.091 0.000 2.533 338 S HA 0.624 5.094 4.470 -0.000 0.000 0.271 338 S C -3.080 171.411 174.600 -0.183 0.000 1.143 338 S CA -1.371 56.749 58.200 -0.134 0.000 0.891 338 S CB 1.955 65.102 63.200 -0.088 0.000 1.105 338 S HN 0.157 nan 8.310 nan 0.000 0.468 339 P HA 0.299 nan 4.420 nan 0.000 0.306 339 P C -1.136 175.940 177.300 -0.372 0.000 1.309 339 P CA -0.334 62.531 63.100 -0.391 0.000 0.759 339 P CB 0.392 31.687 31.700 -0.675 0.000 1.314 340 D N -0.165 120.085 120.400 -0.250 0.000 2.336 340 D HA 0.107 4.747 4.640 -0.000 0.000 0.249 340 D C 0.677 176.861 176.300 -0.194 0.000 1.213 340 D CA 0.020 53.909 54.000 -0.185 0.000 0.870 340 D CB -0.435 40.341 40.800 -0.040 0.000 1.076 340 D HN 0.159 nan 8.370 nan 0.000 0.483 341 L N 2.956 123.888 121.223 -0.485 0.000 2.627 341 L HA 0.115 4.455 4.340 -0.000 0.000 0.232 341 L C 0.654 177.502 176.870 -0.037 0.000 1.150 341 L CA 0.094 54.611 54.840 -0.539 0.000 0.917 341 L CB -0.205 40.955 42.059 -1.499 0.000 1.104 341 L HN 0.279 nan 8.230 nan 0.000 0.445 342 T N 1.792 116.464 114.554 0.197 0.000 2.727 342 T HA 0.244 4.594 4.350 -0.000 0.000 0.295 342 T C -2.190 172.658 174.700 0.246 0.000 0.915 342 T CA -1.024 61.322 62.100 0.409 0.000 1.066 342 T CB 0.778 69.847 68.868 0.335 0.000 0.891 342 T HN -0.066 nan 8.240 nan 0.000 0.516 343 P HA 0.250 nan 4.420 nan 0.000 0.272 343 P C -0.536 176.874 177.300 0.184 0.000 1.223 343 P CA -0.508 62.711 63.100 0.197 0.000 0.784 343 P CB 0.575 32.382 31.700 0.178 0.000 0.923 344 K N 2.520 123.043 120.400 0.205 0.000 2.339 344 K HA 0.287 4.607 4.320 -0.000 0.000 0.264 344 K C -0.334 176.396 176.600 0.216 0.000 0.986 344 K CA -0.582 55.811 56.287 0.176 0.000 0.866 344 K CB 0.600 33.198 32.500 0.163 0.000 1.103 344 K HN 0.311 nan 8.250 nan 0.000 0.441 345 N N 1.958 120.741 118.700 0.139 0.000 2.735 345 N HA -0.190 4.549 4.740 -0.000 0.000 0.248 345 N C 0.487 176.026 175.510 0.049 0.000 1.083 345 N CA 1.415 54.540 53.050 0.126 0.000 0.703 345 N CB -1.270 37.355 38.487 0.231 0.000 1.005 345 N HN 1.138 nan 8.380 nan 0.000 0.550 346 G N -2.340 106.455 108.800 -0.007 0.000 2.160 346 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.251 346 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.251 346 G C -0.204 174.531 174.900 -0.275 0.000 1.008 346 G CA 0.595 45.607 45.100 -0.146 0.000 0.724 346 G HN 0.468 nan 8.290 nan 0.000 0.514 347 W N -1.789 119.612 121.300 0.168 0.000 2.950 347 W HA 0.743 5.403 4.660 -0.000 0.000 0.340 347 W C -0.581 176.051 176.519 0.188 0.000 1.139 347 W CA -1.364 56.075 57.345 0.156 0.000 1.188 347 W CB 1.728 31.226 29.460 0.062 0.000 1.426 347 W HN 0.102 nan 8.180 nan 0.000 0.531 348 L N 3.439 124.954 121.223 0.486 0.000 2.457 348 L HA 0.348 4.688 4.340 -0.000 0.000 0.266 348 L C -0.505 176.440 176.870 0.124 0.000 0.979 348 L CA -0.598 54.406 54.840 0.272 0.000 0.857 348 L CB 0.586 42.838 42.059 0.321 0.000 1.213 348 L HN 0.299 nan 8.230 nan 0.000 0.418 349 D N 3.227 123.656 120.400 0.048 0.000 2.472 349 D HA 0.143 4.782 4.640 -0.000 0.000 0.237 349 D C 0.362 176.588 176.300 -0.123 0.000 1.141 349 D CA 0.312 54.302 54.000 -0.016 0.000 0.875 349 D CB 1.169 41.980 40.800 0.018 0.000 1.192 349 D HN 0.678 nan 8.370 nan 0.000 0.450 350 A N 2.917 125.686 122.820 -0.085 0.000 2.573 350 A HA 0.025 4.344 4.320 -0.000 0.000 0.250 350 A C -0.165 177.445 177.584 0.044 0.000 1.049 350 A CA 0.190 52.182 52.037 -0.075 0.000 0.767 350 A CB -0.438 18.468 19.000 -0.156 0.000 0.965 350 A HN 0.301 nan 8.150 nan 0.000 0.514 351 F N 1.689 121.735 119.950 0.161 0.000 2.412 351 F HA 0.387 4.914 4.527 -0.000 0.000 0.348 351 F C 1.514 177.458 175.800 0.241 0.000 1.102 351 F CA -0.282 57.749 58.000 0.052 0.000 1.196 351 F CB 1.140 40.071 39.000 -0.116 0.000 1.144 351 F HN 0.643 nan 8.300 nan 0.000 0.541 352 R N 0.779 121.515 120.500 0.394 0.000 2.509 352 R HA 0.154 4.494 4.340 -0.000 0.000 0.297 352 R C 0.099 176.518 176.300 0.199 0.000 0.951 352 R CA -0.376 55.916 56.100 0.320 0.000 1.103 352 R CB 0.487 30.920 30.300 0.222 0.000 1.283 352 R HN 0.514 nan 8.270 nan 0.000 0.534 353 K N 1.782 122.284 120.400 0.170 0.000 2.276 353 K HA 0.120 4.439 4.320 -0.000 0.000 0.259 353 K C -2.442 174.181 176.600 0.039 0.000 1.001 353 K CA -1.553 54.774 56.287 0.067 0.000 0.927 353 K CB 0.144 32.650 32.500 0.010 0.000 0.969 353 K HN -0.222 nan 8.250 nan 0.000 0.490 354 P HA -0.116 nan 4.420 nan 0.000 0.266 354 P C 0.431 177.663 177.300 -0.113 0.000 1.193 354 P CA 0.959 64.025 63.100 -0.057 0.000 0.770 354 P CB 0.518 32.182 31.700 -0.060 0.000 0.836 355 G N 1.763 110.486 108.800 -0.128 0.000 2.574 355 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.286 355 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.286 355 G C 0.770 175.502 174.900 -0.280 0.000 1.212 355 G CA 0.215 45.210 45.100 -0.175 0.000 0.979 355 G HN 0.501 nan 8.290 nan 0.000 0.557 356 L N 2.227 123.286 121.223 -0.274 0.000 2.552 356 L HA 0.321 4.661 4.340 -0.000 0.000 0.227 356 L C 2.383 179.281 176.870 0.048 0.000 1.146 356 L CA 1.038 55.793 54.840 -0.141 0.000 0.858 356 L CB -0.560 41.557 42.059 0.096 0.000 0.969 356 L HN 1.966 nan 8.230 nan 0.000 0.451 357 G N 0.866 109.574 108.800 -0.153 0.000 2.179 357 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 357 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 357 G C 0.076 174.901 174.900 -0.125 0.000 1.010 357 G CA 0.527 45.578 45.100 -0.082 0.000 0.736 357 G HN 0.380 nan 8.290 nan 0.000 0.513 358 F N -1.516 118.385 119.950 -0.082 0.000 2.541 358 F HA 0.925 5.452 4.527 -0.000 0.000 0.331 358 F C -0.154 175.589 175.800 -0.094 0.000 1.057 358 F CA -2.110 55.810 58.000 -0.134 0.000 0.975 358 F CB 1.248 40.168 39.000 -0.134 0.000 1.246 358 F HN 0.021 nan 8.300 nan 0.000 0.484 359 Q N 2.192 122.130 119.800 0.229 0.000 2.353 359 Q HA 0.530 4.870 4.340 -0.000 0.000 0.268 359 Q C -1.048 175.054 176.000 0.169 0.000 1.045 359 Q CA -0.615 55.274 55.803 0.143 0.000 0.811 359 Q CB 2.925 31.681 28.738 0.030 0.000 1.305 359 Q HN 0.796 nan 8.270 nan 0.000 0.447 360 L N 0.851 122.168 121.223 0.156 0.000 2.343 360 L HA 0.618 4.958 4.340 -0.000 0.000 0.275 360 L C 0.230 177.120 176.870 0.033 0.000 1.056 360 L CA -1.029 53.857 54.840 0.078 0.000 0.804 360 L CB 1.369 43.481 42.059 0.088 0.000 1.203 360 L HN 0.652 nan 8.230 nan 0.000 0.440 361 A N 1.921 124.747 122.820 0.009 0.000 2.807 361 A HA 0.190 4.510 4.320 -0.000 0.000 0.307 361 A C 1.070 178.660 177.584 0.010 0.000 1.532 361 A CA -0.493 51.549 52.037 0.007 0.000 1.215 361 A CB -0.182 18.819 19.000 0.002 0.000 1.127 361 A HN 0.817 nan 8.150 nan 0.000 0.543 362 E N 2.001 122.210 120.200 0.015 0.000 2.114 362 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 362 E C 1.246 177.852 176.600 0.011 0.000 1.008 362 E CA 1.876 58.285 56.400 0.014 0.000 0.810 362 E CB -0.178 29.531 29.700 0.014 0.000 0.739 362 E HN 0.930 nan 8.360 nan 0.000 0.456 363 D N 0.832 121.238 120.400 0.010 0.000 2.144 363 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 363 D C 2.245 178.551 176.300 0.010 0.000 0.984 363 D CA 0.743 54.749 54.000 0.009 0.000 0.834 363 D CB -0.680 40.125 40.800 0.009 0.000 0.955 363 D HN 0.241 nan 8.370 nan 0.000 0.465 364 L N 0.501 121.730 121.223 0.010 0.000 2.156 364 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 364 L C 2.797 179.673 176.870 0.010 0.000 1.095 364 L CA 0.426 55.272 54.840 0.011 0.000 0.770 364 L CB -0.220 41.846 42.059 0.011 0.000 0.914 364 L HN -0.062 nan 8.230 nan 0.000 0.439 365 V N 0.243 120.162 119.914 0.008 0.000 2.358 365 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 365 V C 2.784 178.885 176.094 0.011 0.000 1.047 365 V CA 1.785 64.088 62.300 0.006 0.000 1.035 365 V CB -0.831 30.994 31.823 0.005 0.000 0.658 365 V HN 0.466 nan 8.190 nan 0.000 0.452 366 A N -0.345 122.482 122.820 0.012 0.000 1.933 366 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 366 A C 2.160 179.756 177.584 0.020 0.000 1.175 366 A CA 1.890 53.936 52.037 0.015 0.000 0.628 366 A CB -0.459 18.549 19.000 0.013 0.000 0.814 366 A HN 0.635 nan 8.150 nan 0.000 0.444 367 E N -0.755 119.456 120.200 0.018 0.000 2.150 367 E HA -0.080 4.269 4.350 -0.000 0.000 0.193 367 E C 2.083 178.700 176.600 0.028 0.000 0.985 367 E CA 0.596 57.008 56.400 0.020 0.000 0.814 367 E CB -0.290 29.419 29.700 0.015 0.000 0.752 367 E HN 0.628 nan 8.360 nan 0.000 0.466 368 G N 1.326 110.143 108.800 0.028 0.000 2.408 368 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 368 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 368 G C 1.291 176.230 174.900 0.066 0.000 1.150 368 G CA 0.444 45.567 45.100 0.038 0.000 0.776 368 G HN 0.199 nan 8.290 nan 0.000 0.542 369 E N 0.160 120.395 120.200 0.058 0.000 2.150 369 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 369 E C 2.731 179.402 176.600 0.118 0.000 0.985 369 E CA 0.532 56.988 56.400 0.094 0.000 0.814 369 E CB -0.217 29.516 29.700 0.054 0.000 0.752 369 E HN 0.395 nan 8.360 nan 0.000 0.466 370 G N 1.184 110.025 108.800 0.068 0.000 2.402 370 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 370 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 370 G C 1.569 176.495 174.900 0.043 0.000 1.162 370 G CA 0.286 45.413 45.100 0.045 0.000 0.777 370 G HN 0.081 nan 8.290 nan 0.000 0.539 371 R N -1.168 119.365 120.500 0.055 0.000 2.115 371 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 371 R C 2.244 178.583 176.300 0.066 0.000 1.111 371 R CA 1.158 57.285 56.100 0.046 0.000 0.976 371 R CB -0.402 29.926 30.300 0.046 0.000 0.870 371 R HN 0.522 nan 8.270 nan 0.000 0.445 372 Y N 0.987 121.283 120.300 -0.007 0.000 2.163 372 Y HA -0.120 4.430 4.550 -0.001 0.000 0.288 372 Y C 2.219 178.113 175.900 -0.010 0.000 1.136 372 Y CA 1.155 59.250 58.100 -0.008 0.000 1.147 372 Y CB -0.481 37.974 38.460 -0.009 0.000 0.987 372 Y HN 0.004 nan 8.280 nan 0.000 0.509 373 A N 0.853 123.615 122.820 -0.097 0.000 1.940 373 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 373 A C 2.405 179.882 177.584 -0.178 0.000 1.176 373 A CA 1.976 53.907 52.037 -0.178 0.000 0.631 373 A CB -1.538 17.445 19.000 -0.028 0.000 0.814 373 A HN 0.646 nan 8.150 nan 0.000 0.446 374 A N -0.342 122.415 122.820 -0.106 0.000 2.019 374 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 374 A C 1.717 179.235 177.584 -0.110 0.000 1.164 374 A CA 1.301 53.289 52.037 -0.081 0.000 0.644 374 A CB -0.574 18.401 19.000 -0.041 0.000 0.805 374 A HN 0.457 nan 8.150 nan 0.000 0.449 375 S N 0.000 115.598 115.700 -0.171 0.000 2.498 375 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 375 S CA 0.000 58.098 58.200 -0.170 0.000 1.107 375 S CB 0.000 63.088 63.200 -0.186 0.000 0.593 375 S HN 0.000 nan 8.310 nan 0.000 0.517