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 1r43_1_B DATA FIRST_RESID 24 DATA SEQUENCE AAAPLSIASG RLNQTILETG SQFGGVARWG QESHEFGXRR LAGTALDGAX DATA SEQUENCE RDWFTNECES LGCKVKVDKI GNXFAVYPGK NGGKPTATGS HLDTQPEAGK DATA SEQUENCE YDGILGVLAG LEVLRTFKDN NYVPNYDVCV VVWFNEEGAR FARSCTGSSV DATA SEQUENCE WSHDLSLEEA YGLXSVGEDK PESVYDSLKN IGYIGDTPAS YKENEIDAHF DATA SEQUENCE ELHIEQGPIL EDENKAIGIV TGVQAYNWQK VTVHGVGAHA GTTPWRLRKD DATA SEQUENCE ALLXSSKXIV AASEIAQRHN GLFTCGIIDA KPYSVNIIPG EVSFTLDFRH DATA SEQUENCE PSDDVLATXL KEAAAEFDRL IKINDGGALS YESETLQVSP AVNFHEVCIE DATA SEQUENCE CVSRSAFAQF KKDQVRQIWS GAGHDSCQTA PHVPTSXIFI PSKDGLSHNY DATA SEQUENCE YEYSSPEEIE NGFKVLLQAI INYDNYRVIR GH 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.605 177.584 0.035 0.000 1.274 24 A CA 0.000 52.055 52.037 0.030 0.000 0.836 24 A CB 0.000 19.013 19.000 0.022 0.000 0.831 25 A N 2.023 124.865 122.820 0.036 0.000 2.594 25 A HA 0.476 4.793 4.320 -0.005 0.000 0.291 25 A C 0.916 178.514 177.584 0.022 0.000 1.374 25 A CA 0.745 52.804 52.037 0.036 0.000 1.025 25 A CB -0.807 18.212 19.000 0.031 0.000 1.072 25 A HN 2.220 nan 8.150 nan 0.000 0.555 26 A N 5.419 128.262 122.820 0.037 0.000 2.527 26 A HA 0.573 4.890 4.320 -0.005 0.000 0.313 26 A C -2.279 175.305 177.584 -0.000 0.000 1.410 26 A CA -1.297 50.757 52.037 0.029 0.000 1.060 26 A CB -0.365 18.671 19.000 0.059 0.000 1.137 26 A HN 0.594 nan 8.150 nan 0.000 0.542 27 P HA 0.352 nan 4.420 nan 0.000 0.280 27 P C -0.340 176.893 177.300 -0.111 0.000 1.244 27 P CA -0.300 62.748 63.100 -0.088 0.000 0.784 27 P CB 0.731 32.375 31.700 -0.093 0.000 0.913 28 L N 1.334 122.451 121.223 -0.176 0.000 2.439 28 L HA 0.142 4.479 4.340 -0.005 0.000 0.269 28 L C 1.169 177.971 176.870 -0.115 0.000 1.179 28 L CA -0.314 54.416 54.840 -0.185 0.000 0.828 28 L CB 0.462 42.350 42.059 -0.286 0.000 1.106 28 L HN 0.417 nan 8.230 nan 0.000 0.467 29 S N 3.776 119.435 115.700 -0.069 0.000 2.962 29 S HA 0.185 4.652 4.470 -0.005 0.000 0.320 29 S C 0.015 174.604 174.600 -0.019 0.000 1.186 29 S CA -0.687 57.492 58.200 -0.035 0.000 1.180 29 S CB -0.999 62.194 63.200 -0.011 0.000 1.491 29 S HN 0.343 nan 8.310 nan 0.000 0.556 30 I N 4.501 125.060 120.570 -0.019 0.000 2.494 30 I HA 0.115 4.282 4.170 -0.005 0.000 0.289 30 I C 0.932 177.082 176.117 0.055 0.000 1.106 30 I CA 0.050 61.374 61.300 0.041 0.000 1.369 30 I CB 0.476 38.514 38.000 0.064 0.000 1.410 30 I HN 0.665 nan 8.210 nan 0.000 0.523 31 A N 6.139 128.992 122.820 0.055 0.000 2.655 31 A HA 0.306 4.623 4.320 -0.005 0.000 0.297 31 A C 0.719 178.336 177.584 0.056 0.000 1.461 31 A CA -0.166 51.897 52.037 0.043 0.000 1.146 31 A CB -0.488 18.531 19.000 0.032 0.000 1.108 31 A HN 0.749 nan 8.150 nan 0.000 0.550 32 S N 2.047 117.782 115.700 0.059 0.000 2.645 32 S HA 0.663 5.130 4.470 -0.005 0.000 0.266 32 S C 1.220 175.846 174.600 0.044 0.000 1.258 32 S CA 0.486 58.731 58.200 0.075 0.000 0.990 32 S CB 1.200 64.446 63.200 0.078 0.000 0.967 32 S HN 2.295 nan 8.310 nan 0.000 0.556 33 G N 1.613 110.438 108.800 0.042 0.000 2.284 33 G HA2 -0.244 3.714 3.960 -0.005 0.000 0.230 33 G HA3 -0.244 3.714 3.960 -0.005 0.000 0.230 33 G C 1.126 176.025 174.900 -0.001 0.000 1.021 33 G CA 0.417 45.530 45.100 0.022 0.000 0.619 33 G HN 0.660 nan 8.290 nan 0.000 0.510 34 R N -0.248 120.242 120.500 -0.017 0.000 2.066 34 R HA 0.083 4.420 4.340 -0.005 0.000 0.232 34 R C 2.658 178.914 176.300 -0.074 0.000 1.131 34 R CA 1.777 57.855 56.100 -0.037 0.000 0.955 34 R CB -0.395 29.881 30.300 -0.039 0.000 0.851 34 R HN 0.524 nan 8.270 nan 0.000 0.432 35 L N 1.620 122.745 121.223 -0.163 0.000 2.017 35 L HA -0.207 4.130 4.340 -0.005 0.000 0.208 35 L C 1.843 178.661 176.870 -0.087 0.000 1.073 35 L CA 2.182 56.903 54.840 -0.198 0.000 0.745 35 L CB -0.906 40.907 42.059 -0.410 0.000 0.894 35 L HN 0.148 nan 8.230 nan 0.000 0.432 36 N N -1.115 117.555 118.700 -0.050 0.000 2.149 36 N HA -0.250 4.487 4.740 -0.005 0.000 0.188 36 N C 1.870 177.382 175.510 0.004 0.000 1.019 36 N CA 1.736 54.788 53.050 0.003 0.000 0.857 36 N CB -0.128 38.365 38.487 0.009 0.000 0.997 36 N HN 0.589 nan 8.380 nan 0.000 0.426 37 Q N -1.104 118.693 119.800 -0.006 0.000 2.123 37 Q HA -0.036 4.301 4.340 -0.005 0.000 0.199 37 Q C 1.781 177.773 176.000 -0.012 0.000 0.966 37 Q CA 1.628 57.430 55.803 -0.002 0.000 0.845 37 Q CB 0.004 28.745 28.738 0.005 0.000 0.907 37 Q HN 0.394 nan 8.270 nan 0.000 0.439 38 T N 1.066 115.614 114.554 -0.011 0.000 2.777 38 T HA -0.111 4.236 4.350 -0.005 0.000 0.266 38 T C 1.798 176.452 174.700 -0.078 0.000 1.040 38 T CA 0.850 62.948 62.100 -0.003 0.000 1.141 38 T CB -0.185 68.723 68.868 0.066 0.000 0.868 38 T HN 0.166 nan 8.240 nan 0.000 0.444 39 I N 0.408 120.937 120.570 -0.068 0.000 2.248 39 I HA -0.186 3.981 4.170 -0.005 0.000 0.248 39 I C 1.954 177.998 176.117 -0.121 0.000 1.107 39 I CA 1.021 62.256 61.300 -0.109 0.000 1.373 39 I CB -0.100 37.840 38.000 -0.100 0.000 1.055 39 I HN 0.165 nan 8.210 nan 0.000 0.418 40 L N -0.162 121.018 121.223 -0.071 0.000 2.044 40 L HA -0.166 4.171 4.340 -0.005 0.000 0.205 40 L C 2.482 179.354 176.870 0.002 0.000 1.075 40 L CA 1.647 56.492 54.840 0.007 0.000 0.747 40 L CB -0.794 41.272 42.059 0.012 0.000 0.903 40 L HN 0.220 nan 8.230 nan 0.000 0.435 41 E N -0.468 119.673 120.200 -0.099 0.000 2.051 41 E HA -0.229 4.119 4.350 -0.005 0.000 0.192 41 E C 2.038 178.411 176.600 -0.377 0.000 0.991 41 E CA 2.016 58.297 56.400 -0.199 0.000 0.799 41 E CB 0.022 29.621 29.700 -0.168 0.000 0.748 41 E HN 0.604 nan 8.360 nan 0.000 0.449 42 T N -2.144 112.150 114.554 -0.433 0.000 2.833 42 T HA -0.053 4.294 4.350 -0.005 0.000 0.269 42 T C 1.961 176.504 174.700 -0.261 0.000 1.054 42 T CA 1.326 63.130 62.100 -0.493 0.000 1.135 42 T CB -0.650 67.903 68.868 -0.526 0.000 0.869 42 T HN 0.193 nan 8.240 nan 0.000 0.466 43 G N 0.817 109.503 108.800 -0.189 0.000 2.434 43 G HA2 -0.158 3.799 3.960 -0.005 0.000 0.214 43 G HA3 -0.158 3.799 3.960 -0.005 0.000 0.214 43 G C 1.872 176.593 174.900 -0.297 0.000 1.202 43 G CA 0.881 45.911 45.100 -0.116 0.000 0.788 43 G HN 0.543 nan 8.290 nan 0.000 0.539 44 S N -0.382 115.076 115.700 -0.404 0.000 2.419 44 S HA -0.134 4.333 4.470 -0.005 0.000 0.235 44 S C 2.298 176.559 174.600 -0.564 0.000 1.019 44 S CA 1.929 59.683 58.200 -0.743 0.000 0.982 44 S CB -0.194 62.695 63.200 -0.518 0.000 0.789 44 S HN 0.511 nan 8.310 nan 0.000 0.490 45 Q N -1.880 117.571 119.800 -0.582 0.000 2.376 45 Q HA 0.198 4.535 4.340 -0.005 0.000 0.206 45 Q C 1.002 176.600 176.000 -0.671 0.000 0.921 45 Q CA 0.607 55.988 55.803 -0.703 0.000 0.911 45 Q CB 0.222 28.372 28.738 -0.980 0.000 1.032 45 Q HN 0.677 nan 8.270 nan 0.000 0.510 46 F N -2.415 117.417 119.950 -0.196 0.000 2.539 46 F HA 0.262 4.786 4.527 -0.005 0.000 0.277 46 F C 1.953 177.677 175.800 -0.126 0.000 0.925 46 F CA 0.165 58.082 58.000 -0.139 0.000 1.193 46 F CB 0.041 38.965 39.000 -0.127 0.000 1.128 46 F HN -0.012 nan 8.300 nan 0.000 0.740 47 G N 0.194 109.021 108.800 0.046 0.000 3.141 47 G HA2 0.199 4.157 3.960 -0.005 0.000 0.218 47 G HA3 0.199 4.157 3.960 -0.005 0.000 0.218 47 G C 0.737 175.570 174.900 -0.110 0.000 1.170 47 G CA 0.128 45.221 45.100 -0.012 0.000 0.769 47 G HN 0.350 nan 8.290 nan 0.000 0.546 48 G N 0.695 109.347 108.800 -0.246 0.000 2.327 48 G HA2 0.442 4.399 3.960 -0.005 0.000 0.278 48 G HA3 0.442 4.399 3.960 -0.005 0.000 0.278 48 G C -0.122 174.590 174.900 -0.314 0.000 1.145 48 G CA 0.549 45.378 45.100 -0.451 0.000 1.097 48 G HN 0.858 nan 8.290 nan 0.000 0.430 49 V N -0.434 119.328 119.914 -0.253 0.000 3.078 49 V HA 0.858 4.975 4.120 -0.005 0.000 0.311 49 V C 0.569 176.538 176.094 -0.209 0.000 1.138 49 V CA -0.718 61.477 62.300 -0.176 0.000 1.007 49 V CB 1.187 32.965 31.823 -0.076 0.000 1.045 49 V HN 2.370 nan 8.190 nan 0.000 0.432 50 A N 0.939 123.663 122.820 -0.160 0.000 2.362 50 A HA -0.210 4.107 4.320 -0.005 0.000 0.290 50 A C 0.629 178.149 177.584 -0.106 0.000 1.441 50 A CA 1.263 53.210 52.037 -0.150 0.000 0.743 50 A CB -1.460 17.385 19.000 -0.258 0.000 1.125 50 A HN 1.715 nan 8.150 nan 0.000 0.378 51 R N -0.108 120.347 120.500 -0.074 0.000 2.640 51 R HA 0.214 4.551 4.340 -0.005 0.000 0.270 51 R C 0.935 177.246 176.300 0.017 0.000 1.024 51 R CA 1.134 57.188 56.100 -0.077 0.000 1.085 51 R CB 0.068 30.312 30.300 -0.093 0.000 0.963 51 R HN 1.247 nan 8.270 nan 0.000 0.426 52 W N 3.089 124.339 121.300 -0.084 0.000 2.773 52 W HA 0.497 5.155 4.660 -0.004 0.000 0.297 52 W C -0.208 176.293 176.519 -0.029 0.000 1.050 52 W CA 0.251 57.568 57.345 -0.047 0.000 1.467 52 W CB 0.267 29.703 29.460 -0.038 0.000 0.977 52 W HN 0.634 nan 8.180 nan 0.000 0.573 53 G N 0.539 109.153 108.800 -0.310 0.000 2.682 53 G HA2 0.210 4.167 3.960 -0.005 0.000 0.290 53 G HA3 0.210 4.167 3.960 -0.005 0.000 0.290 53 G C 0.090 174.830 174.900 -0.265 0.000 1.425 53 G CA -0.495 44.475 45.100 -0.216 0.000 0.807 53 G HN -0.096 nan 8.290 nan 0.000 0.482 54 Q N -0.238 119.454 119.800 -0.179 0.000 2.119 54 Q HA -0.020 4.317 4.340 -0.005 0.000 0.201 54 Q C 0.797 176.680 176.000 -0.194 0.000 0.972 54 Q CA 0.835 56.548 55.803 -0.150 0.000 0.847 54 Q CB -0.006 28.676 28.738 -0.093 0.000 0.903 54 Q HN 0.656 nan 8.270 nan 0.000 0.433 55 E N 0.876 120.913 120.200 -0.271 0.000 2.428 55 E HA -0.019 4.328 4.350 -0.005 0.000 0.257 55 E C 1.355 177.750 176.600 -0.342 0.000 1.197 55 E CA 0.533 56.753 56.400 -0.301 0.000 0.974 55 E CB 0.404 29.856 29.700 -0.413 0.000 0.976 55 E HN 0.149 nan 8.360 nan 0.000 0.463 56 S N 0.601 116.152 115.700 -0.248 0.000 2.368 56 S HA -0.203 4.264 4.470 -0.005 0.000 0.224 56 S C 1.735 176.099 174.600 -0.394 0.000 1.029 56 S CA 1.491 59.582 58.200 -0.182 0.000 0.988 56 S CB -0.582 62.580 63.200 -0.063 0.000 0.838 56 S HN 0.727 nan 8.310 nan 0.000 0.462 57 H N 0.602 119.431 119.070 -0.402 0.000 2.547 57 H HA 0.293 4.846 4.556 -0.005 0.000 0.266 57 H C 0.169 174.984 175.328 -0.855 0.000 0.988 57 H CA 0.453 56.159 56.048 -0.569 0.000 1.147 57 H CB -0.325 29.346 29.762 -0.152 0.000 1.365 57 H HN 0.508 nan 8.280 nan 0.000 0.589 58 E N 1.347 120.824 120.200 -1.205 0.000 2.452 58 E HA 0.160 4.508 4.350 -0.005 0.000 0.293 58 E C -0.924 174.522 176.600 -1.923 0.000 1.535 58 E CA -0.377 55.019 56.400 -1.675 0.000 1.816 58 E CB -0.115 28.741 29.700 -1.406 0.000 1.494 58 E HN 0.406 nan 8.360 nan 0.000 0.464 59 F N -2.360 116.877 119.950 -1.188 0.000 2.726 59 F HA 0.832 5.356 4.527 -0.005 0.000 0.324 59 F C 0.184 175.841 175.800 -0.238 0.000 1.140 59 F CA -1.562 56.034 58.000 -0.673 0.000 0.964 59 F CB 0.448 39.195 39.000 -0.421 0.000 1.399 59 F HN -0.145 nan 8.300 nan 0.000 0.491 63 R N 5.223 125.749 120.500 0.043 0.000 2.564 63 R HA 0.333 4.670 4.340 -0.005 0.000 0.282 63 R C -0.677 175.639 176.300 0.027 0.000 1.573 63 R CA -0.514 55.606 56.100 0.034 0.000 1.588 63 R CB 0.603 30.922 30.300 0.031 0.000 1.154 63 R HN 0.408 nan 8.270 nan 0.000 0.606 64 L N 2.056 123.289 121.223 0.016 0.000 2.416 64 L HA 0.287 4.624 4.340 -0.005 0.000 0.272 64 L C 0.892 177.783 176.870 0.036 0.000 1.161 64 L CA -0.232 54.605 54.840 -0.004 0.000 0.845 64 L CB 0.931 42.966 42.059 -0.041 0.000 1.119 64 L HN 0.427 nan 8.230 nan 0.000 0.464 65 A N 2.437 125.280 122.820 0.038 0.000 2.520 65 A HA 0.423 4.740 4.320 -0.005 0.000 0.245 65 A C 1.246 179.055 177.584 0.375 0.000 1.072 65 A CA 0.557 52.678 52.037 0.141 0.000 0.761 65 A CB -0.213 18.728 19.000 -0.098 0.000 1.004 65 A HN 1.140 nan 8.150 nan 0.000 0.499 66 G N 1.673 110.751 108.800 0.462 0.000 2.175 66 G HA2 -0.171 3.786 3.960 -0.005 0.000 0.244 66 G HA3 -0.171 3.786 3.960 -0.005 0.000 0.244 66 G C 0.483 175.539 174.900 0.259 0.000 0.982 66 G CA 0.893 46.272 45.100 0.464 0.000 0.641 66 G HN 1.935 nan 8.290 nan 0.000 0.527 67 T N -1.871 112.786 114.554 0.171 0.000 2.902 67 T HA 0.749 5.096 4.350 -0.005 0.000 0.280 67 T C 1.752 176.499 174.700 0.078 0.000 0.992 67 T CA 0.425 62.587 62.100 0.104 0.000 1.015 67 T CB 1.748 70.655 68.868 0.064 0.000 1.044 67 T HN 1.363 nan 8.240 nan 0.000 0.520 68 A N 0.700 123.558 122.820 0.063 0.000 1.948 68 A HA -0.028 4.289 4.320 -0.005 0.000 0.220 68 A C 2.170 179.773 177.584 0.031 0.000 1.177 68 A CA 1.479 53.548 52.037 0.052 0.000 0.636 68 A CB -1.112 17.917 19.000 0.049 0.000 0.815 68 A HN 0.818 nan 8.150 nan 0.000 0.449 69 L N -1.041 120.200 121.223 0.029 0.000 2.492 69 L HA -0.042 4.295 4.340 -0.005 0.000 0.223 69 L C 2.044 178.884 176.870 -0.049 0.000 1.132 69 L CA 0.981 55.829 54.840 0.013 0.000 0.850 69 L CB -0.251 41.842 42.059 0.057 0.000 0.966 69 L HN 0.405 nan 8.230 nan 0.000 0.454 70 D N 0.159 120.546 120.400 -0.022 0.000 2.110 70 D HA -0.109 4.529 4.640 -0.005 0.000 0.202 70 D C 2.239 178.466 176.300 -0.121 0.000 0.975 70 D CA 1.380 55.349 54.000 -0.052 0.000 0.839 70 D CB -0.091 40.724 40.800 0.026 0.000 0.996 70 D HN 0.104 nan 8.370 nan 0.000 0.464 71 G N 0.761 109.529 108.800 -0.053 0.000 2.513 71 G HA2 -0.170 3.787 3.960 -0.005 0.000 0.219 71 G HA3 -0.170 3.787 3.960 -0.005 0.000 0.219 71 G C 0.913 175.804 174.900 -0.014 0.000 1.160 71 G CA 1.248 46.357 45.100 0.015 0.000 0.767 71 G HN 0.570 nan 8.290 nan 0.000 0.571 75 D N 0.425 120.933 120.400 0.181 0.000 2.144 75 D HA -0.158 4.479 4.640 -0.005 0.000 0.200 75 D C 1.272 177.691 176.300 0.199 0.000 0.978 75 D CA 1.046 55.165 54.000 0.199 0.000 0.833 75 D CB -0.032 40.851 40.800 0.139 0.000 0.961 75 D HN 0.227 nan 8.370 nan 0.000 0.470 76 W N 0.654 121.973 121.300 0.031 0.000 2.381 76 W HA -0.177 4.480 4.660 -0.005 0.000 0.301 76 W C 2.046 178.637 176.519 0.120 0.000 1.205 76 W CA 0.868 58.277 57.345 0.107 0.000 1.285 76 W CB -0.526 29.055 29.460 0.202 0.000 1.133 76 W HN -0.116 nan 8.180 nan 0.000 0.521 77 F N 1.535 121.633 119.950 0.247 0.000 2.234 77 F HA -0.159 4.366 4.527 -0.005 0.000 0.299 77 F C 2.598 178.382 175.800 -0.027 0.000 1.087 77 F CA 2.347 60.405 58.000 0.098 0.000 1.340 77 F CB -0.675 38.420 39.000 0.158 0.000 1.031 77 F HN -0.102 nan 8.300 nan 0.000 0.500 78 T N -2.331 112.275 114.554 0.086 0.000 2.867 78 T HA -0.158 4.190 4.350 -0.005 0.000 0.268 78 T C 1.813 176.428 174.700 -0.141 0.000 1.057 78 T CA 1.456 63.552 62.100 -0.006 0.000 1.136 78 T CB -0.607 68.330 68.868 0.114 0.000 0.874 78 T HN 0.363 nan 8.240 nan 0.000 0.466 79 N N 0.624 119.215 118.700 -0.182 0.000 2.333 79 N HA -0.043 4.695 4.740 -0.005 0.000 0.178 79 N C 1.854 177.167 175.510 -0.328 0.000 1.018 79 N CA 0.834 53.753 53.050 -0.219 0.000 0.882 79 N CB 0.095 38.467 38.487 -0.191 0.000 0.984 79 N HN 0.450 nan 8.380 nan 0.000 0.434 80 E N 0.957 120.842 120.200 -0.526 0.000 2.072 80 E HA -0.072 4.275 4.350 -0.005 0.000 0.190 80 E C 2.242 178.618 176.600 -0.372 0.000 0.982 80 E CA 0.492 56.569 56.400 -0.537 0.000 0.803 80 E CB -0.603 28.618 29.700 -0.799 0.000 0.755 80 E HN 0.331 nan 8.360 nan 0.000 0.453 81 C N 1.242 120.282 119.300 -0.433 0.000 2.429 81 C HA -0.090 4.367 4.460 -0.005 0.000 0.277 81 C C 2.586 177.493 174.990 -0.139 0.000 1.262 81 C CA 0.634 59.473 59.018 -0.299 0.000 1.733 81 C CB -0.759 26.746 27.740 -0.392 0.000 2.010 81 C HN 0.494 nan 8.230 nan 0.000 0.483 82 E N 0.872 120.986 120.200 -0.142 0.000 2.150 82 E HA -0.139 4.208 4.350 -0.005 0.000 0.193 82 E C 2.070 178.628 176.600 -0.070 0.000 0.985 82 E CA 1.438 57.789 56.400 -0.082 0.000 0.814 82 E CB -0.080 29.575 29.700 -0.075 0.000 0.752 82 E HN 0.779 nan 8.360 nan 0.000 0.466 83 S N -0.241 115.402 115.700 -0.096 0.000 2.603 83 S HA 0.073 4.540 4.470 -0.005 0.000 0.220 83 S C 1.594 176.175 174.600 -0.032 0.000 0.967 83 S CA 0.125 58.282 58.200 -0.071 0.000 0.920 83 S CB 0.021 63.161 63.200 -0.100 0.000 0.773 83 S HN 0.150 nan 8.310 nan 0.000 0.529 84 L N 0.073 121.294 121.223 -0.003 0.000 2.470 84 L HA 0.425 4.762 4.340 -0.005 0.000 0.219 84 L C 1.703 178.633 176.870 0.100 0.000 1.071 84 L CA 0.524 55.432 54.840 0.113 0.000 0.850 84 L CB 0.000 42.177 42.059 0.196 0.000 1.040 84 L HN 0.557 nan 8.230 nan 0.000 0.475 85 G N 0.186 108.992 108.800 0.010 0.000 2.147 85 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.128 85 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.128 85 G C 0.069 174.907 174.900 -0.103 0.000 1.026 85 G CA -0.242 44.813 45.100 -0.075 0.000 0.693 85 G HN 0.302 nan 8.290 nan 0.000 0.499 86 C N -0.634 118.652 119.300 -0.023 0.000 2.335 86 C HA 0.875 5.332 4.460 -0.005 0.000 0.363 86 C C 0.505 175.500 174.990 0.008 0.000 1.198 86 C CA -1.493 57.529 59.018 0.007 0.000 2.279 86 C CB 1.725 29.533 27.740 0.114 0.000 2.334 86 C HN 0.404 nan 8.230 nan 0.000 0.559 87 K N 1.480 121.897 120.400 0.028 0.000 2.299 87 K HA 0.419 4.736 4.320 -0.005 0.000 0.268 87 K C -0.915 175.728 176.600 0.072 0.000 1.075 87 K CA -0.235 56.073 56.287 0.036 0.000 0.936 87 K CB 0.856 33.374 32.500 0.030 0.000 1.228 87 K HN 0.699 nan 8.250 nan 0.000 0.454 88 V N 5.477 125.433 119.914 0.069 0.000 2.390 88 V HA 0.023 4.140 4.120 -0.005 0.000 0.260 88 V C 0.280 176.459 176.094 0.142 0.000 1.043 88 V CA 0.047 62.416 62.300 0.114 0.000 1.047 88 V CB -0.117 31.766 31.823 0.101 0.000 1.066 88 V HN 0.601 nan 8.190 nan 0.000 0.481 89 K N 3.696 124.214 120.400 0.196 0.000 2.276 89 K HA 0.515 4.832 4.320 -0.005 0.000 0.283 89 K C -0.649 176.135 176.600 0.307 0.000 1.044 89 K CA -0.172 56.249 56.287 0.224 0.000 0.944 89 K CB 1.452 34.077 32.500 0.208 0.000 1.012 89 K HN 0.477 nan 8.250 nan 0.000 0.472 90 V N 4.430 124.491 119.914 0.246 0.000 2.444 90 V HA 0.122 4.239 4.120 -0.005 0.000 0.294 90 V C -0.262 175.984 176.094 0.253 0.000 1.022 90 V CA -1.012 61.440 62.300 0.254 0.000 0.850 90 V CB 1.367 33.321 31.823 0.218 0.000 0.992 90 V HN 0.895 nan 8.190 nan 0.000 0.426 91 D N 4.525 125.117 120.400 0.320 0.000 2.433 91 D HA 0.203 4.840 4.640 -0.005 0.000 0.255 91 D C 0.853 177.292 176.300 0.231 0.000 1.226 91 D CA -0.566 53.616 54.000 0.304 0.000 1.015 91 D CB 0.980 42.047 40.800 0.445 0.000 1.091 91 D HN 0.285 nan 8.370 nan 0.000 0.527 92 K N -0.642 119.890 120.400 0.220 0.000 2.211 92 K HA 0.008 4.326 4.320 -0.005 0.000 0.203 92 K C 1.401 178.129 176.600 0.213 0.000 1.050 92 K CA 0.872 57.288 56.287 0.215 0.000 0.945 92 K CB -0.269 32.358 32.500 0.213 0.000 0.732 92 K HN 0.456 nan 8.250 nan 0.000 0.451 93 I N -0.032 120.628 120.570 0.151 0.000 3.861 93 I HA 0.119 4.286 4.170 -0.005 0.000 0.329 93 I C 0.790 176.880 176.117 -0.045 0.000 1.321 93 I CA 0.026 61.364 61.300 0.063 0.000 1.126 93 I CB 0.392 38.458 38.000 0.110 0.000 1.018 93 I HN 0.137 nan 8.210 nan 0.000 0.407 94 G N 1.320 110.154 108.800 0.058 0.000 2.221 94 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.265 94 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.265 94 G C 0.198 175.124 174.900 0.044 0.000 1.041 94 G CA -0.170 44.959 45.100 0.048 0.000 0.807 94 G HN 0.399 nan 8.290 nan 0.000 0.502 98 A N 2.355 125.315 122.820 0.233 0.000 2.309 98 A HA 0.737 5.054 4.320 -0.005 0.000 0.290 98 A C -0.556 177.144 177.584 0.193 0.000 1.206 98 A CA -0.479 51.660 52.037 0.170 0.000 0.850 98 A CB 0.665 19.714 19.000 0.081 0.000 1.118 98 A HN 0.542 nan 8.150 nan 0.000 0.523 99 V N 4.546 124.563 119.914 0.172 0.000 2.239 99 V HA 0.087 4.204 4.120 -0.005 0.000 0.267 99 V C -0.633 175.569 176.094 0.179 0.000 1.056 99 V CA -0.358 62.048 62.300 0.176 0.000 0.830 99 V CB -0.224 31.678 31.823 0.130 0.000 1.090 99 V HN 0.788 nan 8.190 nan 0.000 0.459 100 Y N 8.104 128.470 120.300 0.111 0.000 2.605 100 Y HA 0.207 4.754 4.550 -0.005 0.000 0.336 100 Y C -1.604 174.352 175.900 0.094 0.000 1.111 100 Y CA -1.960 56.210 58.100 0.117 0.000 1.422 100 Y CB 0.780 39.360 38.460 0.199 0.000 1.193 100 Y HN 0.425 nan 8.280 nan 0.000 0.526 101 P HA 0.064 nan 4.420 nan 0.000 0.266 101 P C -0.018 177.244 177.300 -0.064 0.000 1.195 101 P CA 0.273 63.304 63.100 -0.115 0.000 0.768 101 P CB 1.125 32.706 31.700 -0.198 0.000 0.838 102 G N 2.076 110.864 108.800 -0.021 0.000 2.990 102 G HA2 0.303 4.260 3.960 -0.005 0.000 0.208 102 G HA3 0.303 4.260 3.960 -0.005 0.000 0.208 102 G C 0.528 175.370 174.900 -0.097 0.000 1.334 102 G CA -0.407 44.669 45.100 -0.038 0.000 1.024 102 G HN 0.326 nan 8.290 nan 0.000 0.574 103 K N -1.292 119.015 120.400 -0.154 0.000 2.242 103 K HA 0.142 4.459 4.320 -0.005 0.000 0.200 103 K C 0.126 176.611 176.600 -0.191 0.000 1.050 103 K CA 0.312 56.489 56.287 -0.184 0.000 0.981 103 K CB 0.188 32.548 32.500 -0.234 0.000 0.795 103 K HN 0.353 nan 8.250 nan 0.000 0.477 104 N N -0.335 118.218 118.700 -0.246 0.000 2.500 104 N HA 0.294 5.031 4.740 -0.005 0.000 0.291 104 N C -1.070 174.420 175.510 -0.033 0.000 1.092 104 N CA 0.314 53.241 53.050 -0.206 0.000 0.890 104 N CB 1.674 39.919 38.487 -0.403 0.000 1.466 104 N HN 0.260 nan 8.380 nan 0.000 0.507 105 G N 0.983 109.795 108.800 0.020 0.000 2.939 105 G HA2 -0.075 3.882 3.960 -0.005 0.000 0.278 105 G HA3 -0.075 3.882 3.960 -0.005 0.000 0.278 105 G C 0.581 175.547 174.900 0.111 0.000 1.487 105 G CA -0.299 44.849 45.100 0.080 0.000 0.935 105 G HN 0.826 nan 8.290 nan 0.000 0.553 106 G N -0.800 108.058 108.800 0.096 0.000 3.022 106 G HA2 0.484 4.441 3.960 -0.005 0.000 0.157 106 G HA3 0.484 4.441 3.960 -0.005 0.000 0.157 106 G C 0.636 175.610 174.900 0.125 0.000 1.691 106 G CA 0.500 45.657 45.100 0.096 0.000 1.079 106 G HN 1.518 nan 8.290 nan 0.000 0.549 107 K N 0.845 121.306 120.400 0.102 0.000 5.230 107 K HA -0.117 4.200 4.320 -0.005 0.000 0.331 107 K C -2.323 174.369 176.600 0.153 0.000 0.863 107 K CA 0.257 56.614 56.287 0.116 0.000 1.030 107 K CB -0.747 31.816 32.500 0.104 0.000 1.845 107 K HN 0.233 nan 8.250 nan 0.000 0.404 108 P HA -0.026 nan 4.420 nan 0.000 0.271 108 P C -0.126 177.302 177.300 0.214 0.000 1.216 108 P CA 0.013 63.226 63.100 0.189 0.000 0.771 108 P CB 0.979 32.782 31.700 0.172 0.000 0.864 109 T N 1.276 115.977 114.554 0.244 0.000 2.737 109 T HA 0.465 4.812 4.350 -0.005 0.000 0.296 109 T C 0.067 174.896 174.700 0.215 0.000 0.922 109 T CA -0.528 61.716 62.100 0.240 0.000 1.079 109 T CB -0.534 68.524 68.868 0.317 0.000 0.892 109 T HN 0.434 nan 8.240 nan 0.000 0.514 110 A N 4.441 127.387 122.820 0.211 0.000 2.301 110 A HA 0.609 4.926 4.320 -0.005 0.000 0.298 110 A C 0.575 178.223 177.584 0.106 0.000 1.185 110 A CA -0.644 51.512 52.037 0.198 0.000 0.830 110 A CB 0.700 19.877 19.000 0.296 0.000 1.112 110 A HN 0.945 nan 8.150 nan 0.000 0.508 111 T N 1.243 115.832 114.554 0.059 0.000 2.809 111 T HA 0.702 5.050 4.350 -0.005 0.000 0.284 111 T C -0.166 174.513 174.700 -0.035 0.000 0.992 111 T CA 0.291 62.379 62.100 -0.020 0.000 0.957 111 T CB 0.662 69.536 68.868 0.011 0.000 0.942 111 T HN 1.888 nan 8.240 nan 0.000 0.439 112 G N 2.077 110.827 108.800 -0.083 0.000 2.519 112 G HA2 0.544 4.501 3.960 -0.005 0.000 0.292 112 G HA3 0.544 4.501 3.960 -0.005 0.000 0.292 112 G C -0.858 174.149 174.900 0.179 0.000 1.507 112 G CA 0.075 45.174 45.100 -0.003 0.000 0.806 112 G HN 0.890 nan 8.290 nan 0.000 0.523 113 S N -1.108 114.689 115.700 0.161 0.000 4.174 113 S HA 0.756 5.224 4.470 -0.005 0.000 0.210 113 S C -0.844 173.981 174.600 0.374 0.000 1.163 113 S CA 0.506 58.912 58.200 0.344 0.000 1.560 113 S CB 0.260 63.556 63.200 0.160 0.000 1.473 113 S HN 1.539 nan 8.310 nan 0.000 0.742 114 H N -0.594 118.575 119.070 0.164 0.000 2.961 114 H HA 0.642 5.195 4.556 -0.005 0.000 0.371 114 H C -0.458 174.865 175.328 -0.009 0.000 1.190 114 H CA -0.861 55.240 56.048 0.089 0.000 1.138 114 H CB 0.872 30.721 29.762 0.146 0.000 1.816 114 H HN 0.345 nan 8.280 nan 0.000 0.551 115 L N 0.539 121.767 121.223 0.009 0.000 2.693 115 L HA 0.118 4.455 4.340 -0.005 0.000 0.235 115 L C -0.015 176.869 176.870 0.024 0.000 1.127 115 L CA -0.046 54.749 54.840 -0.074 0.000 0.914 115 L CB 0.148 42.103 42.059 -0.173 0.000 1.193 115 L HN 0.763 nan 8.230 nan 0.000 0.502 116 D N 0.236 120.721 120.400 0.141 0.000 2.264 116 D HA 0.184 4.821 4.640 -0.005 0.000 0.249 116 D C 0.098 176.501 176.300 0.172 0.000 1.070 116 D CA -0.110 53.957 54.000 0.112 0.000 0.912 116 D CB 1.868 42.695 40.800 0.045 0.000 1.193 116 D HN -0.075 nan 8.370 nan 0.000 0.427 117 T N -0.980 113.625 114.554 0.085 0.000 2.922 117 T HA 0.386 4.733 4.350 -0.005 0.000 0.281 117 T C 0.438 175.132 174.700 -0.010 0.000 1.005 117 T CA -0.728 61.419 62.100 0.078 0.000 0.982 117 T CB 1.541 70.457 68.868 0.080 0.000 1.158 117 T HN 0.343 nan 8.240 nan 0.000 0.566 118 Q N 0.933 120.696 119.800 -0.061 0.000 2.544 118 Q HA 0.424 4.761 4.340 -0.005 0.000 0.194 118 Q C -2.427 173.545 176.000 -0.046 0.000 1.104 118 Q CA -1.280 54.449 55.803 -0.124 0.000 1.131 118 Q CB 0.123 28.733 28.738 -0.214 0.000 1.210 118 Q HN 0.504 nan 8.270 nan 0.000 0.639 119 P HA 0.204 nan 4.420 nan 0.000 0.292 119 P C -1.376 175.907 177.300 -0.029 0.000 1.287 119 P CA -0.172 62.914 63.100 -0.023 0.000 0.800 119 P CB 1.158 32.831 31.700 -0.044 0.000 0.945 120 E N -0.224 119.992 120.200 0.026 0.000 2.689 120 E HA -0.006 4.341 4.350 -0.005 0.000 0.165 120 E C -0.643 175.956 176.600 -0.003 0.000 1.609 120 E CA 1.015 57.352 56.400 -0.105 0.000 0.674 120 E CB -1.712 27.725 29.700 -0.438 0.000 1.103 120 E HN 0.658 nan 8.360 nan 0.000 0.373 121 A N 0.452 123.406 122.820 0.223 0.000 2.524 121 A HA 0.950 5.267 4.320 -0.005 0.000 0.286 121 A C 0.496 178.254 177.584 0.290 0.000 1.203 121 A CA -0.240 51.926 52.037 0.216 0.000 0.736 121 A CB 1.570 20.657 19.000 0.146 0.000 1.322 121 A HN 0.538 nan 8.150 nan 0.000 0.424 122 G N -0.798 108.156 108.800 0.257 0.000 2.462 122 G HA2 0.486 4.443 3.960 -0.005 0.000 0.319 122 G HA3 0.486 4.443 3.960 -0.005 0.000 0.319 122 G C 0.358 175.331 174.900 0.122 0.000 1.171 122 G CA -0.346 44.901 45.100 0.246 0.000 0.920 122 G HN 0.786 nan 8.290 nan 0.000 0.499 123 K N -0.312 120.064 120.400 -0.041 0.000 2.459 123 K HA 0.050 4.367 4.320 -0.005 0.000 0.193 123 K C 0.630 176.978 176.600 -0.420 0.000 1.030 123 K CA 0.722 56.844 56.287 -0.275 0.000 1.026 123 K CB 0.130 32.385 32.500 -0.408 0.000 0.809 123 K HN 0.613 nan 8.250 nan 0.000 0.504 124 Y N 1.568 121.875 120.300 0.012 0.000 2.522 124 Y HA 0.079 4.626 4.550 -0.005 0.000 0.277 124 Y C 0.609 176.435 175.900 -0.124 0.000 1.104 124 Y CA -0.705 57.359 58.100 -0.060 0.000 1.260 124 Y CB 0.075 38.495 38.460 -0.067 0.000 1.151 124 Y HN 0.024 nan 8.280 nan 0.000 0.539 125 D N 0.583 121.026 120.400 0.070 0.000 2.389 125 D HA 0.189 4.826 4.640 -0.005 0.000 0.263 125 D C 1.290 177.470 176.300 -0.201 0.000 1.255 125 D CA 1.623 55.624 54.000 0.002 0.000 0.914 125 D CB 0.451 41.418 40.800 0.279 0.000 1.116 125 D HN 0.525 nan 8.370 nan 0.000 0.502 126 G N 4.046 112.477 108.800 -0.615 0.000 2.609 126 G HA2 -0.407 3.550 3.960 -0.005 0.000 0.235 126 G HA3 -0.407 3.550 3.960 -0.005 0.000 0.235 126 G C 1.479 176.082 174.900 -0.495 0.000 1.177 126 G CA 0.477 45.071 45.100 -0.843 0.000 0.707 126 G HN 0.575 nan 8.290 nan 0.000 0.513 127 I N 1.024 121.398 120.570 -0.326 0.000 2.264 127 I HA -0.111 4.056 4.170 -0.005 0.000 0.248 127 I C 2.797 178.831 176.117 -0.137 0.000 1.111 127 I CA 1.311 62.494 61.300 -0.195 0.000 1.382 127 I CB -0.383 37.529 38.000 -0.146 0.000 1.060 127 I HN 0.385 nan 8.210 nan 0.000 0.418 128 L N 0.717 121.865 121.223 -0.126 0.000 1.956 128 L HA -0.244 4.093 4.340 -0.005 0.000 0.216 128 L C 2.608 179.443 176.870 -0.058 0.000 1.073 128 L CA 2.213 57.013 54.840 -0.066 0.000 0.762 128 L CB -1.077 40.951 42.059 -0.052 0.000 0.889 128 L HN 0.356 nan 8.230 nan 0.000 0.433 129 G N -1.353 107.400 108.800 -0.077 0.000 2.475 129 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.220 129 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.220 129 G C 1.425 176.317 174.900 -0.013 0.000 1.125 129 G CA 1.146 46.238 45.100 -0.013 0.000 0.755 129 G HN 0.347 nan 8.290 nan 0.000 0.565 130 V N 0.332 120.211 119.914 -0.057 0.000 2.341 130 V HA 0.084 4.201 4.120 -0.005 0.000 0.240 130 V C 2.763 178.891 176.094 0.056 0.000 1.035 130 V CA 0.874 63.138 62.300 -0.060 0.000 1.033 130 V CB -0.425 31.272 31.823 -0.209 0.000 0.678 130 V HN 0.285 nan 8.190 nan 0.000 0.464 131 L N 0.304 121.556 121.223 0.048 0.000 2.191 131 L HA -0.126 4.211 4.340 -0.005 0.000 0.212 131 L C 2.666 179.549 176.870 0.022 0.000 1.103 131 L CA 1.296 56.209 54.840 0.121 0.000 0.769 131 L CB -0.673 41.432 42.059 0.077 0.000 0.908 131 L HN 0.399 nan 8.230 nan 0.000 0.438 132 A N 0.354 123.158 122.820 -0.027 0.000 1.902 132 A HA -0.117 4.200 4.320 -0.005 0.000 0.217 132 A C 2.411 179.990 177.584 -0.009 0.000 1.181 132 A CA 1.603 53.597 52.037 -0.073 0.000 0.623 132 A CB -1.146 17.872 19.000 0.028 0.000 0.818 132 A HN 0.425 nan 8.150 nan 0.000 0.443 133 G N -0.121 108.699 108.800 0.032 0.000 2.476 133 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.218 133 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.218 133 G C 1.594 176.485 174.900 -0.014 0.000 1.164 133 G CA 1.090 46.206 45.100 0.027 0.000 0.768 133 G HN 0.429 nan 8.290 nan 0.000 0.560 134 L N -0.047 121.199 121.223 0.037 0.000 1.971 134 L HA -0.134 4.203 4.340 -0.005 0.000 0.215 134 L C 3.054 179.850 176.870 -0.123 0.000 1.072 134 L CA 1.708 56.525 54.840 -0.039 0.000 0.758 134 L CB -0.297 41.784 42.059 0.036 0.000 0.889 134 L HN 0.216 nan 8.230 nan 0.000 0.433 135 E N -0.584 119.528 120.200 -0.147 0.000 2.147 135 E HA -0.242 4.105 4.350 -0.005 0.000 0.199 135 E C 2.170 178.712 176.600 -0.097 0.000 1.005 135 E CA 1.581 57.846 56.400 -0.225 0.000 0.810 135 E CB -0.289 29.020 29.700 -0.651 0.000 0.736 135 E HN 0.387 nan 8.360 nan 0.000 0.460 136 V N 1.477 121.342 119.914 -0.082 0.000 2.295 136 V HA -0.268 3.849 4.120 -0.005 0.000 0.246 136 V C 2.470 178.039 176.094 -0.874 0.000 1.049 136 V CA 1.555 63.651 62.300 -0.341 0.000 1.024 136 V CB -0.491 31.136 31.823 -0.327 0.000 0.648 136 V HN 0.231 nan 8.190 nan 0.000 0.447 137 L N -0.842 119.989 121.223 -0.654 0.000 2.056 137 L HA -0.140 4.197 4.340 -0.005 0.000 0.207 137 L C 2.694 179.305 176.870 -0.431 0.000 1.078 137 L CA 1.537 55.943 54.840 -0.724 0.000 0.749 137 L CB -0.799 40.962 42.059 -0.497 0.000 0.901 137 L HN 0.178 nan 8.230 nan 0.000 0.433 138 R N -0.178 120.172 120.500 -0.249 0.000 2.127 138 R HA -0.126 4.211 4.340 -0.005 0.000 0.238 138 R C 2.267 178.528 176.300 -0.064 0.000 1.134 138 R CA 1.878 57.911 56.100 -0.113 0.000 0.975 138 R CB -0.500 29.743 30.300 -0.094 0.000 0.865 138 R HN 0.421 nan 8.270 nan 0.000 0.447 139 T N 0.323 114.812 114.554 -0.108 0.000 2.896 139 T HA -0.015 4.332 4.350 -0.005 0.000 0.263 139 T C 1.563 176.289 174.700 0.043 0.000 1.050 139 T CA 0.806 62.881 62.100 -0.043 0.000 1.140 139 T CB -0.265 68.570 68.868 -0.055 0.000 0.877 139 T HN 0.194 nan 8.240 nan 0.000 0.457 140 F N 1.470 121.362 119.950 -0.096 0.000 2.087 140 F HA -0.220 4.304 4.527 -0.005 0.000 0.299 140 F C 2.656 178.518 175.800 0.104 0.000 1.100 140 F CA 1.019 59.009 58.000 -0.016 0.000 1.226 140 F CB -0.124 38.771 39.000 -0.174 0.000 0.983 140 F HN 0.100 nan 8.300 nan 0.000 0.479 141 K N 0.426 120.999 120.400 0.287 0.000 2.103 141 K HA -0.154 4.163 4.320 -0.005 0.000 0.204 141 K C 1.387 178.084 176.600 0.162 0.000 1.052 141 K CA 1.562 58.002 56.287 0.255 0.000 0.945 141 K CB -0.086 32.552 32.500 0.231 0.000 0.722 141 K HN 0.040 nan 8.250 nan 0.000 0.443 142 D N 0.413 120.883 120.400 0.118 0.000 2.149 142 D HA -0.156 4.481 4.640 -0.005 0.000 0.198 142 D C 1.196 177.549 176.300 0.087 0.000 0.990 142 D CA 1.091 55.140 54.000 0.081 0.000 0.839 142 D CB -0.139 40.693 40.800 0.053 0.000 0.948 142 D HN 0.273 nan 8.370 nan 0.000 0.460 143 N N 0.300 119.069 118.700 0.116 0.000 2.373 143 N HA -0.023 4.714 4.740 -0.005 0.000 0.181 143 N C -0.315 175.296 175.510 0.169 0.000 1.082 143 N CA 0.161 53.285 53.050 0.124 0.000 0.885 143 N CB 0.337 38.882 38.487 0.097 0.000 0.977 143 N HN 0.094 nan 8.380 nan 0.000 0.462 144 N N 0.034 118.842 118.700 0.180 0.000 2.818 144 N HA -0.220 4.517 4.740 -0.005 0.000 0.250 144 N C -0.877 174.745 175.510 0.187 0.000 1.108 144 N CA 0.442 53.587 53.050 0.159 0.000 0.745 144 N CB -2.060 36.485 38.487 0.096 0.000 1.104 144 N HN 0.338 nan 8.380 nan 0.000 0.557 145 Y N 1.292 121.631 120.300 0.063 0.000 2.605 145 Y HA 0.201 4.748 4.550 -0.005 0.000 0.336 145 Y C 0.690 176.539 175.900 -0.085 0.000 1.111 145 Y CA -0.296 57.787 58.100 -0.029 0.000 1.422 145 Y CB 0.646 39.085 38.460 -0.035 0.000 1.193 145 Y HN 0.016 nan 8.280 nan 0.000 0.526 146 V N 7.674 127.456 119.914 -0.220 0.000 2.294 146 V HA 0.323 4.440 4.120 -0.005 0.000 0.272 146 V C -2.161 173.728 176.094 -0.341 0.000 1.027 146 V CA -2.260 59.920 62.300 -0.201 0.000 0.823 146 V CB 0.370 32.105 31.823 -0.146 0.000 1.030 146 V HN 0.613 nan 8.190 nan 0.000 0.457 147 P HA 0.123 nan 4.420 nan 0.000 0.267 147 P C 0.691 177.874 177.300 -0.195 0.000 1.200 147 P CA 0.008 62.932 63.100 -0.294 0.000 0.772 147 P CB 0.975 32.547 31.700 -0.214 0.000 0.855 148 N N 0.710 119.306 118.700 -0.173 0.000 2.120 148 N HA -0.131 4.606 4.740 -0.005 0.000 0.188 148 N C 0.187 175.409 175.510 -0.479 0.000 1.024 148 N CA 1.514 54.383 53.050 -0.301 0.000 0.852 148 N CB -0.103 38.248 38.487 -0.226 0.000 1.003 148 N HN 0.510 nan 8.380 nan 0.000 0.424 149 Y N 0.193 120.489 120.300 -0.007 0.000 2.633 149 Y HA 0.301 4.848 4.550 -0.005 0.000 0.339 149 Y C -0.141 175.799 175.900 0.067 0.000 1.045 149 Y CA -1.295 56.824 58.100 0.031 0.000 1.098 149 Y CB 0.553 39.045 38.460 0.053 0.000 1.296 149 Y HN -0.232 nan 8.280 nan 0.000 0.494 150 D N 0.545 121.093 120.400 0.246 0.000 2.443 150 D HA 0.345 4.982 4.640 -0.005 0.000 0.239 150 D C -1.033 175.414 176.300 0.247 0.000 1.136 150 D CA 0.490 54.611 54.000 0.203 0.000 0.879 150 D CB 0.793 41.691 40.800 0.164 0.000 1.195 150 D HN 0.200 nan 8.370 nan 0.000 0.443 151 V N 2.610 122.691 119.914 0.280 0.000 2.448 151 V HA 0.389 4.506 4.120 -0.005 0.000 0.295 151 V C 0.117 176.381 176.094 0.283 0.000 1.025 151 V CA -0.958 61.526 62.300 0.307 0.000 0.859 151 V CB 1.255 33.327 31.823 0.415 0.000 0.988 151 V HN 0.828 nan 8.190 nan 0.000 0.431 152 C N 4.583 124.024 119.300 0.235 0.000 2.614 152 C HA 0.927 5.384 4.460 -0.005 0.000 0.320 152 C C -0.433 174.666 174.990 0.181 0.000 1.200 152 C CA -0.522 58.628 59.018 0.220 0.000 1.700 152 C CB 1.358 29.237 27.740 0.231 0.000 2.275 152 C HN 0.649 nan 8.230 nan 0.000 0.492 153 V N 4.259 124.275 119.914 0.169 0.000 2.378 153 V HA 0.476 4.593 4.120 -0.005 0.000 0.288 153 V C -0.089 176.038 176.094 0.056 0.000 1.016 153 V CA -0.255 62.122 62.300 0.127 0.000 0.840 153 V CB 1.312 33.242 31.823 0.178 0.000 0.994 153 V HN 0.872 nan 8.190 nan 0.000 0.431 154 V N 5.550 125.391 119.914 -0.122 0.000 2.439 154 V HA 0.508 4.626 4.120 -0.005 0.000 0.282 154 V C -0.033 175.738 176.094 -0.538 0.000 1.039 154 V CA -0.646 61.337 62.300 -0.528 0.000 0.913 154 V CB 1.877 33.160 31.823 -0.899 0.000 0.983 154 V HN 0.592 nan 8.190 nan 0.000 0.460 155 V N 5.639 125.171 119.914 -0.636 0.000 2.409 155 V HA 0.560 4.677 4.120 -0.005 0.000 0.291 155 V C -1.159 174.653 176.094 -0.469 0.000 1.020 155 V CA -0.573 61.435 62.300 -0.486 0.000 0.848 155 V CB 1.209 32.742 31.823 -0.484 0.000 0.990 155 V HN 0.896 nan 8.190 nan 0.000 0.430 156 W N 5.608 126.850 121.300 -0.097 0.000 2.351 156 W HA 0.447 5.104 4.660 -0.005 0.000 0.311 156 W C 0.064 176.619 176.519 0.059 0.000 1.168 156 W CA -0.778 56.543 57.345 -0.041 0.000 1.200 156 W CB 0.885 30.342 29.460 -0.005 0.000 1.221 156 W HN 0.618 nan 8.180 nan 0.000 0.519 157 F N 4.425 124.488 119.950 0.188 0.000 2.572 157 F HA -0.027 4.498 4.527 -0.005 0.000 0.370 157 F C 1.149 177.033 175.800 0.140 0.000 1.103 157 F CA -0.185 57.889 58.000 0.123 0.000 1.286 157 F CB 0.171 39.236 39.000 0.108 0.000 1.105 157 F HN 0.550 nan 8.300 nan 0.000 0.583 158 N N 3.104 121.369 118.700 -0.725 0.000 2.689 158 N HA -0.265 4.472 4.740 -0.005 0.000 0.263 158 N C 1.214 176.544 175.510 -0.299 0.000 0.987 158 N CA 1.071 53.720 53.050 -0.669 0.000 0.782 158 N CB -0.628 37.207 38.487 -1.086 0.000 0.903 158 N HN 0.815 nan 8.380 nan 0.000 0.547 159 E N 0.257 120.320 120.200 -0.228 0.000 2.077 159 E HA -0.219 4.128 4.350 -0.005 0.000 0.193 159 E C 0.882 177.315 176.600 -0.280 0.000 0.989 159 E CA 1.152 57.386 56.400 -0.277 0.000 0.800 159 E CB 0.111 29.503 29.700 -0.514 0.000 0.746 159 E HN 0.574 nan 8.360 nan 0.000 0.452 160 E N -0.261 119.760 120.200 -0.300 0.000 2.058 160 E HA -0.146 4.201 4.350 -0.005 0.000 0.194 160 E C 1.465 177.976 176.600 -0.147 0.000 0.997 160 E CA 1.296 57.561 56.400 -0.225 0.000 0.801 160 E CB -0.494 29.089 29.700 -0.195 0.000 0.746 160 E HN 0.517 nan 8.360 nan 0.000 0.450 161 G N 0.041 108.771 108.800 -0.117 0.000 2.147 161 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.244 161 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.244 161 G C 1.016 175.889 174.900 -0.044 0.000 1.005 161 G CA 1.146 46.217 45.100 -0.048 0.000 0.713 161 G HN 0.524 nan 8.290 nan 0.000 0.515 162 A N -0.044 122.722 122.820 -0.090 0.000 1.850 162 A HA 0.306 4.623 4.320 -0.005 0.000 0.212 162 A C 2.129 179.628 177.584 -0.142 0.000 1.208 162 A CA 1.975 53.950 52.037 -0.104 0.000 0.609 162 A CB -0.330 18.598 19.000 -0.120 0.000 0.860 162 A HN 0.499 nan 8.150 nan 0.000 0.448 163 R N -1.896 118.470 120.500 -0.224 0.000 2.148 163 R HA 0.004 4.341 4.340 -0.005 0.000 0.227 163 R C -0.881 174.974 176.300 -0.742 0.000 1.103 163 R CA 0.724 56.541 56.100 -0.472 0.000 0.983 163 R CB -0.088 29.874 30.300 -0.564 0.000 0.874 163 R HN 0.428 nan 8.270 nan 0.000 0.451 164 F N -0.753 119.192 119.950 -0.008 0.000 2.536 164 F HA 0.413 4.937 4.527 -0.005 0.000 0.322 164 F C 0.109 175.911 175.800 0.004 0.000 1.144 164 F CA -1.177 56.835 58.000 0.020 0.000 0.924 164 F CB 1.882 40.912 39.000 0.051 0.000 1.181 164 F HN -0.139 nan 8.300 nan 0.000 0.438 165 A N 4.309 127.230 122.820 0.169 0.000 3.065 165 A HA 0.325 4.642 4.320 -0.005 0.000 0.262 165 A C 0.308 177.957 177.584 0.107 0.000 1.901 165 A CA 0.277 52.377 52.037 0.104 0.000 1.475 165 A CB -0.646 18.405 19.000 0.085 0.000 0.984 165 A HN 0.576 nan 8.150 nan 0.000 0.618 166 R N 0.558 121.118 120.500 0.100 0.000 2.658 166 R HA 0.174 4.511 4.340 -0.005 0.000 0.287 166 R C -0.768 175.554 176.300 0.036 0.000 1.209 166 R CA 0.087 56.231 56.100 0.073 0.000 1.046 166 R CB 1.500 31.849 30.300 0.082 0.000 1.247 166 R HN 0.593 nan 8.270 nan 0.000 0.405 167 S N 0.002 115.712 115.700 0.015 0.000 2.617 167 S HA 0.235 4.703 4.470 -0.005 0.000 0.269 167 S C 0.716 175.289 174.600 -0.046 0.000 1.292 167 S CA -0.087 58.095 58.200 -0.030 0.000 1.010 167 S CB 1.041 64.225 63.200 -0.026 0.000 0.944 167 S HN 0.803 nan 8.310 nan 0.000 0.536 168 C N 1.158 120.405 119.300 -0.088 0.000 4.356 168 C HA -0.156 4.301 4.460 -0.005 0.000 0.296 168 C C 1.865 176.828 174.990 -0.045 0.000 1.424 168 C CA 0.706 59.668 59.018 -0.092 0.000 2.000 168 C CB -3.430 24.248 27.740 -0.104 0.000 1.262 168 C HN 1.069 nan 8.230 nan 0.000 0.789 169 T N 0.308 114.848 114.554 -0.023 0.000 2.699 169 T HA -0.138 4.209 4.350 -0.005 0.000 0.268 169 T C 1.980 176.775 174.700 0.158 0.000 1.036 169 T CA 2.171 64.305 62.100 0.056 0.000 1.147 169 T CB -0.204 68.692 68.868 0.045 0.000 0.862 169 T HN 0.907 nan 8.240 nan 0.000 0.446 170 G N 1.579 110.505 108.800 0.210 0.000 2.414 170 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.215 170 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.215 170 G C 1.953 177.050 174.900 0.328 0.000 1.188 170 G CA 1.290 46.619 45.100 0.382 0.000 0.783 170 G HN 0.635 nan 8.290 nan 0.000 0.537 171 S N 0.532 116.237 115.700 0.009 0.000 2.383 171 S HA -0.072 4.396 4.470 -0.005 0.000 0.227 171 S C 2.418 177.025 174.600 0.013 0.000 1.026 171 S CA 1.614 59.603 58.200 -0.351 0.000 0.981 171 S CB -0.481 62.110 63.200 -1.015 0.000 0.818 171 S HN 0.203 nan 8.310 nan 0.000 0.472 172 S N 1.407 117.116 115.700 0.016 0.000 2.387 172 S HA -0.077 4.390 4.470 -0.005 0.000 0.230 172 S C 1.888 176.573 174.600 0.141 0.000 1.035 172 S CA 1.499 59.735 58.200 0.060 0.000 1.014 172 S CB -0.559 62.664 63.200 0.038 0.000 0.836 172 S HN 0.487 nan 8.310 nan 0.000 0.466 173 V N -0.679 119.353 119.914 0.196 0.000 2.488 173 V HA -0.074 4.044 4.120 -0.005 0.000 0.246 173 V C 1.753 178.047 176.094 0.333 0.000 1.046 173 V CA 1.188 63.624 62.300 0.227 0.000 1.053 173 V CB -0.696 31.234 31.823 0.179 0.000 0.679 173 V HN 0.664 nan 8.190 nan 0.000 0.458 174 W N 2.131 123.545 121.300 0.191 0.000 2.338 174 W HA -0.232 4.425 4.660 -0.005 0.000 0.304 174 W C 2.494 179.068 176.519 0.093 0.000 1.212 174 W CA 1.992 59.468 57.345 0.219 0.000 1.264 174 W CB -0.136 29.544 29.460 0.368 0.000 1.142 174 W HN 0.312 nan 8.180 nan 0.000 0.512 175 S N -1.405 114.415 115.700 0.201 0.000 2.603 175 S HA -0.004 4.463 4.470 -0.005 0.000 0.220 175 S C 0.117 174.731 174.600 0.022 0.000 0.967 175 S CA 0.814 59.016 58.200 0.003 0.000 0.920 175 S CB -0.980 62.322 63.200 0.171 0.000 0.773 175 S HN 0.597 nan 8.310 nan 0.000 0.529 176 H N -0.377 118.752 119.070 0.098 0.000 2.958 176 H HA -0.195 4.358 4.556 -0.005 0.000 0.274 176 H C 0.726 176.090 175.328 0.060 0.000 1.184 176 H CA 0.538 56.633 56.048 0.078 0.000 1.143 176 H CB -1.633 28.189 29.762 0.101 0.000 1.297 176 H HN 0.491 nan 8.280 nan 0.000 0.356 177 D N 0.421 120.916 120.400 0.159 0.000 2.178 177 D HA 0.056 4.693 4.640 -0.005 0.000 0.202 177 D C 0.624 176.965 176.300 0.068 0.000 0.974 177 D CA 1.170 55.220 54.000 0.083 0.000 0.841 177 D CB 0.425 41.251 40.800 0.043 0.000 0.953 177 D HN 0.303 nan 8.370 nan 0.000 0.478 178 L N -0.267 121.007 121.223 0.085 0.000 2.472 178 L HA 0.399 4.736 4.340 -0.005 0.000 0.260 178 L C -0.869 176.034 176.870 0.055 0.000 0.963 178 L CA -0.702 54.173 54.840 0.059 0.000 0.829 178 L CB 1.922 44.014 42.059 0.056 0.000 1.348 178 L HN -0.073 nan 8.230 nan 0.000 0.408 179 S N 3.323 119.036 115.700 0.022 0.000 2.584 179 S HA 0.268 4.735 4.470 -0.005 0.000 0.273 179 S C 0.982 175.556 174.600 -0.043 0.000 1.311 179 S CA -0.503 57.691 58.200 -0.009 0.000 1.034 179 S CB 1.294 64.482 63.200 -0.020 0.000 0.939 179 S HN 0.834 nan 8.310 nan 0.000 0.513 180 L N 2.066 123.234 121.223 -0.091 0.000 2.013 180 L HA -0.158 4.179 4.340 -0.005 0.000 0.212 180 L C 2.704 179.407 176.870 -0.279 0.000 1.073 180 L CA 2.347 57.034 54.840 -0.254 0.000 0.753 180 L CB -1.297 40.610 42.059 -0.253 0.000 0.890 180 L HN 0.969 nan 8.230 nan 0.000 0.432 181 E N -1.341 118.806 120.200 -0.088 0.000 2.160 181 E HA -0.266 4.082 4.350 -0.005 0.000 0.195 181 E C 1.848 178.475 176.600 0.044 0.000 0.991 181 E CA 1.482 57.896 56.400 0.024 0.000 0.810 181 E CB -0.564 29.150 29.700 0.024 0.000 0.742 181 E HN 0.664 nan 8.360 nan 0.000 0.466 182 E N 0.836 121.044 120.200 0.013 0.000 2.051 182 E HA -0.060 4.287 4.350 -0.005 0.000 0.189 182 E C 2.146 178.778 176.600 0.054 0.000 0.979 182 E CA 0.889 57.311 56.400 0.036 0.000 0.803 182 E CB -0.011 29.706 29.700 0.027 0.000 0.761 182 E HN 0.337 nan 8.360 nan 0.000 0.451 183 A N 0.836 123.671 122.820 0.026 0.000 1.877 183 A HA -0.195 4.122 4.320 -0.005 0.000 0.216 183 A C 1.978 179.633 177.584 0.119 0.000 1.186 183 A CA 1.191 53.258 52.037 0.050 0.000 0.620 183 A CB -0.905 18.110 19.000 0.026 0.000 0.822 183 A HN 0.258 nan 8.150 nan 0.000 0.443 184 Y N 0.265 120.595 120.300 0.050 0.000 2.139 184 Y HA -0.202 4.345 4.550 -0.005 0.000 0.282 184 Y C 2.741 178.666 175.900 0.042 0.000 1.179 184 Y CA 0.763 58.900 58.100 0.062 0.000 1.161 184 Y CB -1.283 37.202 38.460 0.041 0.000 0.970 184 Y HN 0.322 nan 8.280 nan 0.000 0.511 185 G N -0.797 108.121 108.800 0.196 0.000 2.572 185 G HA2 -0.014 3.944 3.960 -0.005 0.000 0.216 185 G HA3 -0.014 3.944 3.960 -0.005 0.000 0.216 185 G C 0.991 175.962 174.900 0.117 0.000 1.133 185 G CA -0.155 45.020 45.100 0.125 0.000 0.791 185 G HN 0.174 nan 8.290 nan 0.000 0.538 189 V N 2.237 122.086 119.914 -0.109 0.000 2.715 189 V HA 0.635 4.753 4.120 -0.005 0.000 0.299 189 V C 1.539 177.583 176.094 -0.083 0.000 1.054 189 V CA 0.460 62.721 62.300 -0.065 0.000 1.077 189 V CB 0.510 32.300 31.823 -0.055 0.000 0.972 189 V HN 1.597 nan 8.190 nan 0.000 0.484 190 G N 2.540 111.313 108.800 -0.046 0.000 2.272 190 G HA2 -0.224 3.733 3.960 -0.005 0.000 0.280 190 G HA3 -0.224 3.733 3.960 -0.005 0.000 0.280 190 G C -0.224 174.653 174.900 -0.039 0.000 1.067 190 G CA 0.520 45.595 45.100 -0.042 0.000 0.902 190 G HN 0.872 nan 8.290 nan 0.000 0.500 191 E N -1.285 118.899 120.200 -0.026 0.000 2.343 191 E HA 0.458 4.805 4.350 -0.005 0.000 0.270 191 E C 0.410 177.010 176.600 0.000 0.000 0.895 191 E CA -0.932 55.458 56.400 -0.016 0.000 0.767 191 E CB 1.133 30.821 29.700 -0.020 0.000 1.248 191 E HN -0.016 nan 8.360 nan 0.000 0.440 192 D N 1.517 121.919 120.400 0.004 0.000 2.084 192 D HA -0.084 4.553 4.640 -0.005 0.000 0.194 192 D C -0.168 176.143 176.300 0.017 0.000 0.990 192 D CA 1.459 55.464 54.000 0.010 0.000 0.826 192 D CB 0.200 41.006 40.800 0.009 0.000 0.971 192 D HN 0.086 nan 8.370 nan 0.000 0.453 193 K N 1.244 121.656 120.400 0.022 0.000 2.423 193 K HA 0.262 4.579 4.320 -0.005 0.000 0.234 193 K C -2.443 174.183 176.600 0.043 0.000 1.051 193 K CA -1.360 54.946 56.287 0.031 0.000 1.021 193 K CB 1.801 34.319 32.500 0.030 0.000 1.474 193 K HN 0.065 nan 8.250 nan 0.000 0.474 194 P HA 0.014 nan 4.420 nan 0.000 0.275 194 P C -0.911 176.450 177.300 0.103 0.000 1.227 194 P CA -0.199 62.943 63.100 0.068 0.000 0.781 194 P CB 0.924 32.663 31.700 0.064 0.000 0.906 195 E N 0.778 121.070 120.200 0.153 0.000 2.369 195 E HA 0.518 4.865 4.350 -0.005 0.000 0.270 195 E C -0.906 175.873 176.600 0.299 0.000 0.909 195 E CA -1.024 55.489 56.400 0.188 0.000 0.775 195 E CB 1.504 31.302 29.700 0.164 0.000 1.270 195 E HN 0.363 nan 8.360 nan 0.000 0.445 196 S N 0.435 116.272 115.700 0.228 0.000 2.610 196 S HA 0.144 4.611 4.470 -0.005 0.000 0.273 196 S C 1.410 176.071 174.600 0.102 0.000 1.274 196 S CA -0.316 58.002 58.200 0.197 0.000 1.023 196 S CB 1.470 64.765 63.200 0.157 0.000 0.962 196 S HN 0.873 nan 8.310 nan 0.000 0.523 197 V N 0.327 120.141 119.914 -0.166 0.000 2.469 197 V HA -0.192 3.925 4.120 -0.005 0.000 0.251 197 V C 1.826 177.894 176.094 -0.042 0.000 1.064 197 V CA 2.001 64.112 62.300 -0.315 0.000 1.066 197 V CB -1.684 29.884 31.823 -0.424 0.000 0.667 197 V HN 0.926 nan 8.190 nan 0.000 0.461 198 Y N 2.304 122.566 120.300 -0.064 0.000 2.081 198 Y HA -0.230 4.317 4.550 -0.005 0.000 0.280 198 Y C 2.321 178.118 175.900 -0.173 0.000 1.163 198 Y CA 2.474 60.422 58.100 -0.254 0.000 1.135 198 Y CB -0.626 37.551 38.460 -0.473 0.000 0.970 198 Y HN 0.346 nan 8.280 nan 0.000 0.498 199 D N -0.579 119.760 120.400 -0.100 0.000 2.117 199 D HA -0.155 4.482 4.640 -0.005 0.000 0.197 199 D C 2.348 178.591 176.300 -0.095 0.000 0.987 199 D CA 1.762 55.690 54.000 -0.121 0.000 0.829 199 D CB -0.355 40.471 40.800 0.044 0.000 0.961 199 D HN 0.458 nan 8.370 nan 0.000 0.460 200 S N 0.885 116.589 115.700 0.007 0.000 2.356 200 S HA -0.105 4.362 4.470 -0.005 0.000 0.223 200 S C 2.340 176.939 174.600 -0.002 0.000 1.032 200 S CA 0.613 58.859 58.200 0.078 0.000 1.005 200 S CB -0.518 62.846 63.200 0.273 0.000 0.867 200 S HN 0.189 nan 8.310 nan 0.000 0.449 201 L N 1.503 122.663 121.223 -0.105 0.000 2.046 201 L HA -0.090 4.247 4.340 -0.005 0.000 0.208 201 L C 2.709 179.499 176.870 -0.133 0.000 1.077 201 L CA 1.350 56.105 54.840 -0.142 0.000 0.747 201 L CB -0.425 41.485 42.059 -0.249 0.000 0.896 201 L HN 0.265 nan 8.230 nan 0.000 0.432 202 K N -0.091 120.143 120.400 -0.277 0.000 2.103 202 K HA -0.222 4.095 4.320 -0.005 0.000 0.207 202 K C 2.004 178.513 176.600 -0.151 0.000 1.048 202 K CA 1.452 57.563 56.287 -0.294 0.000 0.930 202 K CB -0.028 32.175 32.500 -0.496 0.000 0.716 202 K HN 0.256 nan 8.250 nan 0.000 0.444 203 N N 1.165 119.807 118.700 -0.096 0.000 2.188 203 N HA -0.134 4.604 4.740 -0.005 0.000 0.184 203 N C 1.760 177.273 175.510 0.005 0.000 1.018 203 N CA 1.509 54.540 53.050 -0.032 0.000 0.858 203 N CB -0.065 38.425 38.487 0.005 0.000 0.989 203 N HN 0.454 nan 8.380 nan 0.000 0.426 204 I N -4.323 116.275 120.570 0.048 0.000 3.603 204 I HA 0.319 4.486 4.170 -0.005 0.000 0.297 204 I C 0.835 177.006 176.117 0.089 0.000 1.269 204 I CA 0.486 61.862 61.300 0.128 0.000 1.361 204 I CB -0.038 38.097 38.000 0.225 0.000 1.063 204 I HN 0.014 nan 8.210 nan 0.000 0.448 205 G N 1.573 110.343 108.800 -0.049 0.000 2.164 205 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.212 205 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.212 205 G C -0.309 174.261 174.900 -0.551 0.000 1.031 205 G CA -0.083 44.856 45.100 -0.267 0.000 0.730 205 G HN 0.549 nan 8.290 nan 0.000 0.501 206 Y N -0.573 119.686 120.300 -0.068 0.000 2.666 206 Y HA 0.484 5.032 4.550 -0.005 0.000 0.264 206 Y C 0.995 176.845 175.900 -0.082 0.000 1.054 206 Y CA -0.724 57.337 58.100 -0.064 0.000 1.121 206 Y CB 0.643 39.060 38.460 -0.072 0.000 1.190 206 Y HN 0.276 nan 8.280 nan 0.000 0.587 207 I N 1.360 121.921 120.570 -0.016 0.000 2.313 207 I HA 0.316 4.483 4.170 -0.005 0.000 0.286 207 I C 1.031 177.171 176.117 0.037 0.000 1.091 207 I CA -0.187 61.128 61.300 0.026 0.000 1.216 207 I CB 0.297 38.276 38.000 -0.034 0.000 1.434 207 I HN 0.347 nan 8.210 nan 0.000 0.487 208 G N 3.583 112.435 108.800 0.086 0.000 2.563 208 G HA2 0.119 4.076 3.960 -0.005 0.000 0.283 208 G HA3 0.119 4.076 3.960 -0.005 0.000 0.283 208 G C 0.365 175.324 174.900 0.098 0.000 1.309 208 G CA -0.260 44.889 45.100 0.081 0.000 1.022 208 G HN 0.494 nan 8.290 nan 0.000 0.501 209 D N -0.979 119.473 120.400 0.088 0.000 2.201 209 D HA -0.004 4.633 4.640 -0.005 0.000 0.209 209 D C 1.816 178.174 176.300 0.098 0.000 0.961 209 D CA 0.970 55.019 54.000 0.082 0.000 0.861 209 D CB -0.258 40.576 40.800 0.056 0.000 0.997 209 D HN 0.448 nan 8.370 nan 0.000 0.486 210 T N 1.730 116.352 114.554 0.113 0.000 2.940 210 T HA 0.149 4.496 4.350 -0.005 0.000 0.309 210 T C -2.679 172.108 174.700 0.145 0.000 1.056 210 T CA -1.282 60.885 62.100 0.113 0.000 1.137 210 T CB 1.311 70.244 68.868 0.108 0.000 0.976 210 T HN -0.242 nan 8.240 nan 0.000 0.547 211 P HA 0.334 nan 4.420 nan 0.000 0.275 211 P C -0.969 176.460 177.300 0.215 0.000 1.228 211 P CA -0.492 62.689 63.100 0.135 0.000 0.786 211 P CB 0.442 32.190 31.700 0.080 0.000 0.927 212 A N 1.772 124.734 122.820 0.237 0.000 2.923 212 A HA 0.488 4.806 4.320 -0.005 0.000 0.306 212 A C 0.129 177.886 177.584 0.289 0.000 1.542 212 A CA 0.214 52.468 52.037 0.363 0.000 1.225 212 A CB -0.920 18.261 19.000 0.301 0.000 1.147 212 A HN 0.376 nan 8.150 nan 0.000 0.542 213 S N 0.631 116.433 115.700 0.171 0.000 2.592 213 S HA 0.362 4.829 4.470 -0.005 0.000 0.275 213 S C 0.335 174.558 174.600 -0.628 0.000 1.169 213 S CA -0.479 57.653 58.200 -0.113 0.000 0.958 213 S CB 0.387 63.623 63.200 0.061 0.000 1.095 213 S HN 0.958 nan 8.310 nan 0.000 0.471 214 Y N 4.877 124.375 120.300 -1.337 0.000 2.403 214 Y HA 0.092 4.639 4.550 -0.005 0.000 0.291 214 Y C 1.435 176.887 175.900 -0.747 0.000 1.143 214 Y CA 1.795 58.859 58.100 -1.726 0.000 1.257 214 Y CB -0.304 36.984 38.460 -1.954 0.000 0.984 214 Y HN 0.665 nan 8.280 nan 0.000 0.550 215 K N -0.153 119.626 120.400 -1.035 0.000 2.352 215 K HA 0.154 4.471 4.320 -0.005 0.000 0.194 215 K C 1.191 177.601 176.600 -0.317 0.000 1.038 215 K CA 0.591 56.465 56.287 -0.688 0.000 1.023 215 K CB 0.118 32.126 32.500 -0.819 0.000 0.840 215 K HN 0.372 nan 8.250 nan 0.000 0.519 216 E N 1.861 121.913 120.200 -0.247 0.000 2.052 216 E HA -0.055 4.292 4.350 -0.005 0.000 0.192 216 E C 0.150 176.722 176.600 -0.046 0.000 0.958 216 E CA 0.443 56.779 56.400 -0.107 0.000 0.835 216 E CB -0.039 29.623 29.700 -0.062 0.000 0.811 216 E HN 0.263 nan 8.360 nan 0.000 0.462 217 N N 2.012 120.713 118.700 0.003 0.000 2.500 217 N HA 0.020 4.757 4.740 -0.005 0.000 0.236 217 N C -1.167 174.426 175.510 0.140 0.000 1.022 217 N CA -0.228 52.829 53.050 0.011 0.000 0.935 217 N CB 0.462 38.921 38.487 -0.047 0.000 1.147 217 N HN 0.037 nan 8.380 nan 0.000 0.512 218 E N 3.095 123.353 120.200 0.097 0.000 2.256 218 E HA 0.495 4.842 4.350 -0.005 0.000 0.267 218 E C -0.314 176.422 176.600 0.227 0.000 0.892 218 E CA -1.101 55.437 56.400 0.230 0.000 0.775 218 E CB 1.771 31.536 29.700 0.108 0.000 1.207 218 E HN 0.572 nan 8.360 nan 0.000 0.420 219 I N -1.356 119.433 120.570 0.365 0.000 2.863 219 I HA 0.505 4.672 4.170 -0.005 0.000 0.311 219 I C -0.258 176.017 176.117 0.264 0.000 1.026 219 I CA -0.804 60.671 61.300 0.291 0.000 1.077 219 I CB 1.944 40.139 38.000 0.325 0.000 1.262 219 I HN 0.572 nan 8.210 nan 0.000 0.461 220 D N 1.894 122.428 120.400 0.223 0.000 2.269 220 D HA 0.340 4.977 4.640 -0.005 0.000 0.220 220 D C 0.437 176.835 176.300 0.163 0.000 0.962 220 D CA 0.866 54.994 54.000 0.213 0.000 0.884 220 D CB 0.579 41.529 40.800 0.250 0.000 1.023 220 D HN 0.794 nan 8.370 nan 0.000 0.484 221 A N -1.236 121.620 122.820 0.060 0.000 2.530 221 A HA 0.564 4.881 4.320 -0.005 0.000 0.288 221 A C -1.487 176.115 177.584 0.030 0.000 1.172 221 A CA -0.592 51.353 52.037 -0.152 0.000 0.733 221 A CB 1.302 19.820 19.000 -0.803 0.000 1.320 221 A HN 0.306 nan 8.150 nan 0.000 0.419 222 H N 0.203 119.134 119.070 -0.232 0.000 2.924 222 H HA 0.565 5.118 4.556 -0.005 0.000 0.333 222 H C -2.179 172.940 175.328 -0.347 0.000 0.979 222 H CA -0.235 55.743 56.048 -0.117 0.000 1.326 222 H CB 0.871 30.628 29.762 -0.008 0.000 1.600 222 H HN 0.443 nan 8.280 nan 0.000 0.520 223 F N 2.787 122.440 119.950 -0.494 0.000 2.482 223 F HA 0.294 4.818 4.527 -0.005 0.000 0.331 223 F C 0.227 175.779 175.800 -0.414 0.000 1.115 223 F CA -0.592 57.186 58.000 -0.370 0.000 0.955 223 F CB 2.030 40.898 39.000 -0.220 0.000 1.136 223 F HN 0.475 nan 8.300 nan 0.000 0.452 224 E N 3.221 123.331 120.200 -0.151 0.000 2.224 224 E HA 0.451 4.798 4.350 -0.005 0.000 0.265 224 E C -1.743 174.862 176.600 0.009 0.000 0.878 224 E CA -1.047 55.318 56.400 -0.058 0.000 0.759 224 E CB 1.771 31.470 29.700 -0.002 0.000 1.164 224 E HN 0.559 nan 8.360 nan 0.000 0.414 225 L N 5.769 127.031 121.223 0.065 0.000 2.259 225 L HA 0.383 4.720 4.340 -0.005 0.000 0.288 225 L C -1.351 175.613 176.870 0.156 0.000 1.051 225 L CA -0.101 54.800 54.840 0.103 0.000 0.824 225 L CB 0.623 42.733 42.059 0.086 0.000 1.206 225 L HN 0.569 nan 8.230 nan 0.000 0.429 226 H N 4.554 123.722 119.070 0.164 0.000 2.747 226 H HA 0.482 5.035 4.556 -0.005 0.000 0.371 226 H C -0.557 174.878 175.328 0.178 0.000 1.161 226 H CA -0.655 55.510 56.048 0.195 0.000 1.167 226 H CB 2.073 31.981 29.762 0.242 0.000 1.732 226 H HN 0.713 nan 8.280 nan 0.000 0.544 227 I N -0.255 120.399 120.570 0.140 0.000 2.779 227 I HA 0.081 4.248 4.170 -0.005 0.000 0.285 227 I C 1.621 177.570 176.117 -0.279 0.000 1.134 227 I CA -0.108 61.181 61.300 -0.018 0.000 1.398 227 I CB 0.746 38.723 38.000 -0.039 0.000 1.404 227 I HN 0.636 nan 8.210 nan 0.000 0.587 228 E N 2.423 122.263 120.200 -0.599 0.000 2.118 228 E HA -0.261 4.086 4.350 -0.005 0.000 0.195 228 E C 0.780 177.030 176.600 -0.582 0.000 0.992 228 E CA 1.955 57.688 56.400 -1.112 0.000 0.804 228 E CB 0.050 29.407 29.700 -0.571 0.000 0.741 228 E HN 0.889 nan 8.360 nan 0.000 0.458 229 Q N -2.424 117.221 119.800 -0.259 0.000 2.301 229 Q HA -0.181 4.156 4.340 -0.005 0.000 0.163 229 Q C 0.260 176.186 176.000 -0.123 0.000 0.576 229 Q CA 0.843 56.560 55.803 -0.142 0.000 1.368 229 Q CB -1.588 27.079 28.738 -0.118 0.000 1.325 229 Q HN 0.390 nan 8.270 nan 0.000 0.946 230 G N -0.172 108.549 108.800 -0.131 0.000 2.667 230 G HA2 0.592 4.549 3.960 -0.005 0.000 0.310 230 G HA3 0.592 4.549 3.960 -0.005 0.000 0.310 230 G C -2.620 172.241 174.900 -0.065 0.000 1.259 230 G CA -0.760 44.296 45.100 -0.073 0.000 1.019 230 G HN -0.064 nan 8.290 nan 0.000 0.496 231 P HA 0.252 nan 4.420 nan 0.000 0.272 231 P C 1.291 178.582 177.300 -0.015 0.000 1.408 231 P CA -0.226 62.858 63.100 -0.028 0.000 0.996 231 P CB 0.401 32.088 31.700 -0.021 0.000 1.481 232 I N -0.395 120.174 120.570 -0.003 0.000 2.193 232 I HA -0.184 3.983 4.170 -0.005 0.000 0.240 232 I C 2.353 178.479 176.117 0.014 0.000 1.084 232 I CA 1.195 62.507 61.300 0.019 0.000 1.365 232 I CB -0.676 37.355 38.000 0.051 0.000 1.064 232 I HN -0.120 nan 8.210 nan 0.000 0.410 233 L N 0.407 121.636 121.223 0.009 0.000 2.012 233 L HA -0.235 4.103 4.340 -0.005 0.000 0.210 233 L C 2.678 179.536 176.870 -0.020 0.000 1.073 233 L CA 1.488 56.327 54.840 -0.002 0.000 0.748 233 L CB -0.679 41.373 42.059 -0.011 0.000 0.891 233 L HN 0.318 nan 8.230 nan 0.000 0.431 234 E N 0.219 120.402 120.200 -0.028 0.000 2.110 234 E HA -0.284 4.063 4.350 -0.005 0.000 0.193 234 E C 1.524 178.115 176.600 -0.015 0.000 0.988 234 E CA 1.605 57.988 56.400 -0.028 0.000 0.804 234 E CB 0.043 29.725 29.700 -0.030 0.000 0.745 234 E HN 0.419 nan 8.360 nan 0.000 0.458 235 D N 0.038 120.433 120.400 -0.008 0.000 2.348 235 D HA -0.097 4.540 4.640 -0.005 0.000 0.216 235 D C 0.453 176.754 176.300 0.002 0.000 0.970 235 D CA 0.731 54.730 54.000 -0.002 0.000 0.889 235 D CB 0.221 41.022 40.800 0.001 0.000 0.912 235 D HN 0.092 nan 8.370 nan 0.000 0.524 236 E N -0.140 120.061 120.200 0.002 0.000 2.685 236 E HA 0.093 4.440 4.350 -0.005 0.000 0.208 236 E C -0.313 176.286 176.600 -0.001 0.000 0.996 236 E CA -0.207 56.196 56.400 0.005 0.000 1.054 236 E CB -0.010 29.698 29.700 0.013 0.000 1.075 236 E HN 0.215 nan 8.360 nan 0.000 0.460 237 N N 1.509 120.205 118.700 -0.007 0.000 2.693 237 N HA -0.261 4.476 4.740 -0.005 0.000 0.255 237 N C -0.484 175.009 175.510 -0.028 0.000 0.975 237 N CA 0.902 53.943 53.050 -0.015 0.000 0.792 237 N CB -0.960 37.523 38.487 -0.005 0.000 0.931 237 N HN 0.197 nan 8.380 nan 0.000 0.541 238 K N -0.223 120.154 120.400 -0.038 0.000 2.168 238 K HA 0.434 4.751 4.320 -0.005 0.000 0.258 238 K C 1.134 177.667 176.600 -0.111 0.000 1.010 238 K CA 0.279 56.525 56.287 -0.068 0.000 0.929 238 K CB 0.992 33.459 32.500 -0.055 0.000 0.998 238 K HN 0.283 nan 8.250 nan 0.000 0.479 239 A N 1.517 124.220 122.820 -0.195 0.000 2.192 239 A HA 0.253 4.570 4.320 -0.005 0.000 0.208 239 A C 0.368 177.748 177.584 -0.339 0.000 1.220 239 A CA 0.365 52.228 52.037 -0.289 0.000 0.900 239 A CB 0.389 19.131 19.000 -0.429 0.000 0.937 239 A HN 0.549 nan 8.150 nan 0.000 0.487 240 I N -1.519 118.861 120.570 -0.316 0.000 2.802 240 I HA 0.573 4.740 4.170 -0.005 0.000 0.298 240 I C -0.153 175.890 176.117 -0.124 0.000 1.176 240 I CA -0.286 60.871 61.300 -0.237 0.000 1.025 240 I CB 2.439 40.227 38.000 -0.354 0.000 1.243 240 I HN 0.082 nan 8.210 nan 0.000 0.424 241 G N 5.640 114.428 108.800 -0.021 0.000 2.683 241 G HA2 0.664 4.621 3.960 -0.005 0.000 0.299 241 G HA3 0.664 4.621 3.960 -0.005 0.000 0.299 241 G C -0.922 173.973 174.900 -0.009 0.000 1.432 241 G CA -0.442 44.674 45.100 0.026 0.000 0.978 241 G HN 0.464 nan 8.290 nan 0.000 0.513 242 I N 2.363 122.919 120.570 -0.024 0.000 2.363 242 I HA 0.101 4.268 4.170 -0.005 0.000 0.292 242 I C 0.242 176.314 176.117 -0.076 0.000 1.075 242 I CA -0.515 60.762 61.300 -0.039 0.000 1.333 242 I CB 1.216 39.227 38.000 0.018 0.000 1.415 242 I HN 0.029 nan 8.210 nan 0.000 0.502 243 V N 5.860 125.670 119.914 -0.174 0.000 2.427 243 V HA 0.054 4.171 4.120 -0.005 0.000 0.268 243 V C 1.338 177.404 176.094 -0.048 0.000 1.046 243 V CA 0.126 62.304 62.300 -0.204 0.000 0.970 243 V CB 0.679 32.239 31.823 -0.438 0.000 1.001 243 V HN 0.933 nan 8.190 nan 0.000 0.476 244 T N 0.461 114.894 114.554 -0.201 0.000 3.040 244 T HA 0.501 4.849 4.350 -0.005 0.000 0.250 244 T C 0.642 174.915 174.700 -0.712 0.000 1.058 244 T CA 0.341 62.256 62.100 -0.307 0.000 0.988 244 T CB 0.447 69.134 68.868 -0.300 0.000 0.993 244 T HN 1.214 nan 8.240 nan 0.000 0.519 245 G N 0.206 108.415 108.800 -0.984 0.000 2.378 245 G HA2 0.423 4.380 3.960 -0.005 0.000 0.302 245 G HA3 0.423 4.380 3.960 -0.005 0.000 0.302 245 G C -1.691 172.632 174.900 -0.962 0.000 1.669 245 G CA -0.773 43.467 45.100 -1.433 0.000 0.920 245 G HN 0.221 nan 8.290 nan 0.000 0.697 246 V N 1.488 121.006 119.914 -0.660 0.000 2.539 246 V HA 0.445 4.562 4.120 -0.005 0.000 0.292 246 V C 0.863 177.072 176.094 0.192 0.000 1.045 246 V CA -0.542 61.685 62.300 -0.121 0.000 0.945 246 V CB 1.621 33.364 31.823 -0.133 0.000 0.993 246 V HN 0.871 nan 8.190 nan 0.000 0.464 247 Q N 2.470 122.459 119.800 0.316 0.000 2.286 247 Q HA 0.357 4.694 4.340 -0.005 0.000 0.290 247 Q C 0.328 176.456 176.000 0.213 0.000 1.049 247 Q CA 0.296 56.271 55.803 0.286 0.000 0.923 247 Q CB 0.740 29.619 28.738 0.235 0.000 1.183 247 Q HN 0.958 nan 8.270 nan 0.000 0.383 248 A N 3.644 126.561 122.820 0.161 0.000 2.406 248 A HA 0.381 4.698 4.320 -0.005 0.000 0.243 248 A C -0.990 176.695 177.584 0.169 0.000 1.082 248 A CA 0.024 52.099 52.037 0.063 0.000 0.786 248 A CB 0.118 19.142 19.000 0.041 0.000 1.029 248 A HN 0.714 nan 8.150 nan 0.000 0.495 249 Y N -1.052 119.265 120.300 0.028 0.000 2.571 249 Y HA 0.694 5.242 4.550 -0.005 0.000 0.341 249 Y C -1.017 174.890 175.900 0.013 0.000 1.076 249 Y CA -1.644 56.495 58.100 0.066 0.000 1.029 249 Y CB 1.061 39.562 38.460 0.068 0.000 1.308 249 Y HN 0.667 nan 8.280 nan 0.000 0.461 250 N N 1.796 120.761 118.700 0.442 0.000 2.352 250 N HA 0.505 5.242 4.740 -0.005 0.000 0.291 250 N C -2.302 173.605 175.510 0.663 0.000 1.040 250 N CA -0.476 52.803 53.050 0.382 0.000 0.864 250 N CB 1.198 39.861 38.487 0.294 0.000 1.440 250 N HN 0.598 nan 8.380 nan 0.000 0.483 251 W N 2.710 124.177 121.300 0.278 0.000 2.411 251 W HA 0.482 5.140 4.660 -0.004 0.000 0.317 251 W C -0.300 176.309 176.519 0.149 0.000 1.030 251 W CA -0.667 56.789 57.345 0.184 0.000 1.239 251 W CB 0.985 30.527 29.460 0.136 0.000 1.304 251 W HN 0.341 nan 8.180 nan 0.000 0.437 252 Q N 1.852 121.853 119.800 0.336 0.000 2.351 252 Q HA 0.503 4.840 4.340 -0.005 0.000 0.273 252 Q C -0.794 175.258 176.000 0.087 0.000 1.077 252 Q CA -1.113 54.822 55.803 0.220 0.000 0.843 252 Q CB 3.724 32.623 28.738 0.269 0.000 1.367 252 Q HN 0.323 nan 8.270 nan 0.000 0.449 253 K N 1.391 121.814 120.400 0.038 0.000 2.502 253 K HA 0.424 4.741 4.320 -0.005 0.000 0.254 253 K C -1.496 175.039 176.600 -0.108 0.000 0.947 253 K CA -0.371 55.874 56.287 -0.070 0.000 0.834 253 K CB 1.471 33.956 32.500 -0.025 0.000 1.112 253 K HN 0.338 nan 8.250 nan 0.000 0.427 254 V N 3.272 122.986 119.914 -0.333 0.000 2.427 254 V HA 0.344 4.461 4.120 -0.005 0.000 0.286 254 V C -0.264 175.696 176.094 -0.224 0.000 1.034 254 V CA -0.428 61.708 62.300 -0.272 0.000 0.893 254 V CB 1.801 33.326 31.823 -0.497 0.000 0.982 254 V HN 0.798 nan 8.190 nan 0.000 0.452 255 T N 4.443 118.962 114.554 -0.058 0.000 2.779 255 T HA 0.556 4.903 4.350 -0.005 0.000 0.280 255 T C -0.374 174.212 174.700 -0.189 0.000 0.987 255 T CA -0.368 61.654 62.100 -0.129 0.000 0.966 255 T CB 1.494 70.279 68.868 -0.138 0.000 0.933 255 T HN 0.336 nan 8.240 nan 0.000 0.442 256 V N 4.671 124.474 119.914 -0.186 0.000 2.472 256 V HA 0.402 4.519 4.120 -0.005 0.000 0.290 256 V C -0.259 175.658 176.094 -0.294 0.000 1.037 256 V CA -0.887 61.343 62.300 -0.116 0.000 0.908 256 V CB 1.129 32.964 31.823 0.020 0.000 0.985 256 V HN 0.834 nan 8.190 nan 0.000 0.454 257 H N 2.857 121.992 119.070 0.108 0.000 2.505 257 H HA 0.702 5.255 4.556 -0.005 0.000 0.338 257 H C 0.310 175.677 175.328 0.064 0.000 1.057 257 H CA 0.058 56.151 56.048 0.075 0.000 1.202 257 H CB 2.262 32.062 29.762 0.063 0.000 1.466 257 H HN 0.843 nan 8.280 nan 0.000 0.499 258 G N 1.171 110.064 108.800 0.155 0.000 3.259 258 G HA2 0.485 4.442 3.960 -0.005 0.000 0.178 258 G HA3 0.485 4.442 3.960 -0.005 0.000 0.178 258 G C -1.142 173.807 174.900 0.082 0.000 1.129 258 G CA -0.400 44.760 45.100 0.099 0.000 0.816 258 G HN 0.394 nan 8.290 nan 0.000 0.634 259 V N 0.646 120.592 119.914 0.053 0.000 2.569 259 V HA 0.628 4.745 4.120 -0.005 0.000 0.301 259 V C 0.503 176.611 176.094 0.024 0.000 1.044 259 V CA -0.411 61.912 62.300 0.039 0.000 0.874 259 V CB 1.272 33.112 31.823 0.030 0.000 1.002 259 V HN 1.013 nan 8.190 nan 0.000 0.424 260 G N 3.244 112.060 108.800 0.026 0.000 2.354 260 G HA2 0.611 4.569 3.960 -0.005 0.000 0.266 260 G HA3 0.611 4.569 3.960 -0.005 0.000 0.266 260 G C -0.099 174.806 174.900 0.008 0.000 1.242 260 G CA 0.615 45.723 45.100 0.014 0.000 0.923 260 G HN 1.271 nan 8.290 nan 0.000 0.476 261 A N 2.711 125.525 122.820 -0.009 0.000 2.587 261 A HA 0.622 4.939 4.320 -0.005 0.000 0.293 261 A C -0.514 177.067 177.584 -0.005 0.000 1.087 261 A CA -0.790 51.248 52.037 0.003 0.000 0.692 261 A CB 1.094 20.089 19.000 -0.009 0.000 1.291 261 A HN 0.846 nan 8.150 nan 0.000 0.407 262 H N 1.253 120.291 119.070 -0.054 0.000 2.815 262 H HA 0.310 4.863 4.556 -0.005 0.000 0.350 262 H C 1.244 176.517 175.328 -0.092 0.000 1.080 262 H CA 0.868 56.879 56.048 -0.062 0.000 1.433 262 H CB 1.525 31.256 29.762 -0.052 0.000 1.432 262 H HN 0.728 nan 8.280 nan 0.000 0.592 263 A N 3.651 126.200 122.820 -0.452 0.000 2.209 263 A HA 0.007 4.324 4.320 -0.005 0.000 0.212 263 A C 2.057 179.573 177.584 -0.113 0.000 1.158 263 A CA 1.044 52.911 52.037 -0.282 0.000 0.742 263 A CB -0.165 18.640 19.000 -0.326 0.000 0.790 263 A HN 0.809 nan 8.150 nan 0.000 0.472 264 G N -1.098 107.824 108.800 0.202 0.000 2.720 264 G HA2 0.064 4.022 3.960 -0.005 0.000 0.204 264 G HA3 0.064 4.022 3.960 -0.005 0.000 0.204 264 G C 1.510 176.455 174.900 0.074 0.000 1.113 264 G CA 1.212 46.407 45.100 0.158 0.000 0.805 264 G HN 0.592 nan 8.290 nan 0.000 0.536 265 T N -1.375 113.250 114.554 0.118 0.000 3.081 265 T HA 0.127 4.474 4.350 -0.005 0.000 0.255 265 T C 0.842 175.527 174.700 -0.025 0.000 1.113 265 T CA 0.559 62.657 62.100 -0.005 0.000 1.082 265 T CB 0.048 68.880 68.868 -0.061 0.000 0.939 265 T HN -0.013 nan 8.240 nan 0.000 0.506 266 T N 5.390 119.919 114.554 -0.042 0.000 2.762 266 T HA 0.442 4.789 4.350 -0.005 0.000 0.303 266 T C -2.597 171.997 174.700 -0.177 0.000 0.977 266 T CA -1.269 60.778 62.100 -0.088 0.000 0.961 266 T CB 1.293 70.109 68.868 -0.087 0.000 0.944 266 T HN 0.268 nan 8.240 nan 0.000 0.481 267 P HA 0.138 nan 4.420 nan 0.000 0.274 267 P C 0.311 177.534 177.300 -0.128 0.000 1.237 267 P CA -0.633 62.379 63.100 -0.147 0.000 0.793 267 P CB 1.035 32.726 31.700 -0.016 0.000 0.977 268 W N 1.788 123.092 121.300 0.005 0.000 2.290 268 W HA -0.241 4.415 4.660 -0.006 0.000 0.318 268 W C 2.589 179.110 176.519 0.004 0.000 1.248 268 W CA 1.845 59.191 57.345 0.002 0.000 1.263 268 W CB -0.994 28.465 29.460 -0.002 0.000 1.147 268 W HN 0.451 nan 8.180 nan 0.000 0.494 269 R N 0.242 120.876 120.500 0.223 0.000 2.316 269 R HA 0.015 4.352 4.340 -0.005 0.000 0.202 269 R C 1.223 177.573 176.300 0.083 0.000 1.029 269 R CA 1.208 57.389 56.100 0.136 0.000 1.018 269 R CB -0.721 29.642 30.300 0.104 0.000 0.888 269 R HN 0.284 nan 8.270 nan 0.000 0.471 270 L N 0.185 121.442 121.223 0.058 0.000 2.906 270 L HA 0.330 4.667 4.340 -0.005 0.000 0.255 270 L C 0.285 177.163 176.870 0.014 0.000 1.166 270 L CA -0.403 54.454 54.840 0.028 0.000 0.977 270 L CB 0.388 42.454 42.059 0.012 0.000 1.313 270 L HN 0.034 nan 8.230 nan 0.000 0.549 271 R N 0.681 121.191 120.500 0.016 0.000 2.500 271 R HA 0.352 4.689 4.340 -0.005 0.000 0.275 271 R C -0.104 176.216 176.300 0.033 0.000 1.051 271 R CA -0.271 55.828 56.100 -0.002 0.000 1.088 271 R CB 0.959 31.238 30.300 -0.035 0.000 1.063 271 R HN -0.086 nan 8.270 nan 0.000 0.511 272 K N 1.884 122.299 120.400 0.025 0.000 2.920 272 K HA 0.077 4.394 4.320 -0.005 0.000 0.175 272 K C -1.279 175.341 176.600 0.034 0.000 1.099 272 K CA -0.379 55.932 56.287 0.041 0.000 0.939 272 K CB 0.870 33.397 32.500 0.045 0.000 1.148 272 K HN 0.454 nan 8.250 nan 0.000 0.613 273 D N 1.147 121.566 120.400 0.032 0.000 2.336 273 D HA 0.163 4.800 4.640 -0.005 0.000 0.249 273 D C 0.816 177.127 176.300 0.017 0.000 1.213 273 D CA -0.135 53.875 54.000 0.016 0.000 0.870 273 D CB 1.487 42.296 40.800 0.014 0.000 1.076 273 D HN 0.468 nan 8.370 nan 0.000 0.483 274 A N 3.943 126.771 122.820 0.013 0.000 2.119 274 A HA -0.071 4.246 4.320 -0.005 0.000 0.216 274 A C 1.736 179.309 177.584 -0.018 0.000 1.152 274 A CA 0.433 52.474 52.037 0.008 0.000 0.708 274 A CB -0.146 18.865 19.000 0.020 0.000 0.805 274 A HN 0.563 nan 8.150 nan 0.000 0.460 275 L N -1.097 120.112 121.223 -0.024 0.000 2.253 275 L HA 0.316 4.653 4.340 -0.005 0.000 0.205 275 L C 0.975 177.804 176.870 -0.069 0.000 1.078 275 L CA 0.547 55.356 54.840 -0.051 0.000 0.805 275 L CB -0.491 41.545 42.059 -0.039 0.000 0.963 275 L HN 0.338 nan 8.230 nan 0.000 0.459 279 S N 2.454 117.981 115.700 -0.288 0.000 2.351 279 S HA 0.058 4.525 4.470 -0.005 0.000 0.220 279 S C 1.029 175.511 174.600 -0.198 0.000 1.035 279 S CA 1.088 59.153 58.200 -0.225 0.000 1.031 279 S CB -0.476 62.644 63.200 -0.133 0.000 0.928 279 S HN 0.608 nan 8.310 nan 0.000 0.433 283 V N 2.201 122.109 119.914 -0.010 0.000 2.287 283 V HA -0.293 3.824 4.120 -0.005 0.000 0.248 283 V C 2.768 178.859 176.094 -0.006 0.000 1.053 283 V CA 2.723 65.027 62.300 0.007 0.000 1.027 283 V CB -0.849 30.963 31.823 -0.019 0.000 0.646 283 V HN 0.545 nan 8.190 nan 0.000 0.447 284 A N -0.009 122.804 122.820 -0.010 0.000 1.883 284 A HA -0.159 4.158 4.320 -0.005 0.000 0.217 284 A C 2.444 180.017 177.584 -0.018 0.000 1.186 284 A CA 2.267 54.318 52.037 0.022 0.000 0.624 284 A CB -0.915 18.145 19.000 0.099 0.000 0.822 284 A HN 0.596 nan 8.150 nan 0.000 0.444 285 A N -1.046 121.707 122.820 -0.111 0.000 1.940 285 A HA -0.124 4.193 4.320 -0.005 0.000 0.219 285 A C 2.474 179.777 177.584 -0.468 0.000 1.176 285 A CA 2.213 53.985 52.037 -0.442 0.000 0.631 285 A CB -0.941 17.357 19.000 -1.171 0.000 0.814 285 A HN 0.516 nan 8.150 nan 0.000 0.446 286 S N -0.674 114.852 115.700 -0.289 0.000 2.383 286 S HA -0.159 4.308 4.470 -0.005 0.000 0.227 286 S C 1.890 176.542 174.600 0.086 0.000 1.026 286 S CA 1.533 59.811 58.200 0.130 0.000 0.981 286 S CB -0.326 63.022 63.200 0.246 0.000 0.818 286 S HN 0.689 nan 8.310 nan 0.000 0.472 287 E N 0.305 120.519 120.200 0.024 0.000 2.107 287 E HA -0.053 4.294 4.350 -0.005 0.000 0.191 287 E C 1.989 178.588 176.600 -0.002 0.000 0.982 287 E CA 1.096 57.503 56.400 0.012 0.000 0.809 287 E CB -0.192 29.505 29.700 -0.005 0.000 0.756 287 E HN 0.552 nan 8.360 nan 0.000 0.459 288 I N 1.441 122.011 120.570 -0.000 0.000 2.252 288 I HA -0.240 3.927 4.170 -0.005 0.000 0.245 288 I C 2.607 178.779 176.117 0.091 0.000 1.102 288 I CA 0.978 62.283 61.300 0.009 0.000 1.385 288 I CB -0.306 37.700 38.000 0.010 0.000 1.064 288 I HN 0.048 nan 8.210 nan 0.000 0.414 289 A N -0.010 122.917 122.820 0.179 0.000 1.902 289 A HA -0.278 4.039 4.320 -0.005 0.000 0.217 289 A C 2.304 179.998 177.584 0.183 0.000 1.181 289 A CA 1.699 53.898 52.037 0.271 0.000 0.623 289 A CB -0.697 18.550 19.000 0.412 0.000 0.818 289 A HN 0.450 nan 8.150 nan 0.000 0.443 290 Q N -0.905 118.968 119.800 0.122 0.000 2.135 290 Q HA -0.185 4.152 4.340 -0.005 0.000 0.204 290 Q C 2.388 178.399 176.000 0.017 0.000 0.981 290 Q CA 1.517 57.363 55.803 0.073 0.000 0.856 290 Q CB -0.101 28.669 28.738 0.052 0.000 0.902 290 Q HN 0.645 nan 8.270 nan 0.000 0.425 291 R N -0.680 119.786 120.500 -0.057 0.000 2.080 291 R HA -0.136 4.201 4.340 -0.005 0.000 0.236 291 R C 1.616 177.794 176.300 -0.203 0.000 1.137 291 R CA 1.432 57.416 56.100 -0.193 0.000 0.943 291 R CB -0.081 29.989 30.300 -0.383 0.000 0.846 291 R HN 0.410 nan 8.270 nan 0.000 0.431 292 H N -0.197 118.883 119.070 0.016 0.000 2.533 292 H HA 0.099 4.653 4.556 -0.004 0.000 0.271 292 H C 0.265 175.636 175.328 0.073 0.000 1.000 292 H CA 0.081 56.128 56.048 -0.001 0.000 1.149 292 H CB 0.123 29.843 29.762 -0.072 0.000 1.375 292 H HN 0.214 nan 8.280 nan 0.000 0.582 293 N N 0.535 119.335 118.700 0.167 0.000 2.747 293 N HA -0.124 4.613 4.740 -0.005 0.000 0.249 293 N C 0.693 176.338 175.510 0.225 0.000 1.107 293 N CA 0.879 54.023 53.050 0.156 0.000 0.707 293 N CB -1.005 37.546 38.487 0.107 0.000 1.054 293 N HN 0.601 nan 8.380 nan 0.000 0.555 294 G N -0.836 108.150 108.800 0.310 0.000 2.702 294 G HA2 0.773 4.730 3.960 -0.005 0.000 0.254 294 G HA3 0.773 4.730 3.960 -0.005 0.000 0.254 294 G C -0.294 174.750 174.900 0.241 0.000 1.380 294 G CA -0.573 44.732 45.100 0.341 0.000 1.042 294 G HN 0.128 nan 8.290 nan 0.000 0.557 295 L N -0.513 120.872 121.223 0.269 0.000 2.386 295 L HA 0.581 4.918 4.340 -0.005 0.000 0.271 295 L C -1.335 175.717 176.870 0.304 0.000 0.993 295 L CA -0.696 54.279 54.840 0.225 0.000 0.819 295 L CB 2.415 44.556 42.059 0.137 0.000 1.294 295 L HN 0.510 nan 8.230 nan 0.000 0.414 296 F N 1.282 121.267 119.950 0.059 0.000 2.540 296 F HA 0.786 5.310 4.527 -0.005 0.000 0.317 296 F C -0.841 174.886 175.800 -0.122 0.000 1.104 296 F CA -0.089 57.844 58.000 -0.111 0.000 0.913 296 F CB 2.242 41.173 39.000 -0.114 0.000 1.170 296 F HN 0.343 nan 8.300 nan 0.000 0.450 297 T N 5.039 118.879 114.554 -1.189 0.000 2.971 297 T HA 0.300 4.647 4.350 -0.005 0.000 0.304 297 T C -1.750 172.339 174.700 -1.018 0.000 1.038 297 T CA -0.533 60.988 62.100 -0.965 0.000 1.007 297 T CB 1.148 69.739 68.868 -0.462 0.000 1.055 297 T HN 0.813 nan 8.240 nan 0.000 0.451 298 C N 2.891 121.745 119.300 -0.743 0.000 2.251 298 C HA 0.746 5.203 4.460 -0.005 0.000 0.323 298 C C 1.561 176.412 174.990 -0.230 0.000 1.241 298 C CA -0.104 58.709 59.018 -0.340 0.000 1.601 298 C CB -1.031 26.659 27.740 -0.084 0.000 2.251 298 C HN 1.137 nan 8.230 nan 0.000 0.488 299 G N 4.682 113.353 108.800 -0.216 0.000 2.921 299 G HA2 0.303 4.260 3.960 -0.005 0.000 0.213 299 G HA3 0.303 4.260 3.960 -0.005 0.000 0.213 299 G C 0.178 175.004 174.900 -0.124 0.000 1.143 299 G CA 0.203 45.193 45.100 -0.184 0.000 0.764 299 G HN 0.673 nan 8.290 nan 0.000 0.542 300 I N 0.633 121.153 120.570 -0.083 0.000 2.512 300 I HA 0.516 4.683 4.170 -0.005 0.000 0.287 300 I C -1.528 174.610 176.117 0.035 0.000 1.069 300 I CA -0.749 60.526 61.300 -0.042 0.000 1.056 300 I CB 2.620 40.580 38.000 -0.066 0.000 1.229 300 I HN -0.059 nan 8.210 nan 0.000 0.429 301 I N 5.803 126.394 120.570 0.035 0.000 2.686 301 I HA 0.512 4.679 4.170 -0.005 0.000 0.295 301 I C -1.848 174.304 176.117 0.058 0.000 1.114 301 I CA -0.111 61.237 61.300 0.079 0.000 1.038 301 I CB 2.171 40.194 38.000 0.039 0.000 1.238 301 I HN 0.441 nan 8.210 nan 0.000 0.420 302 D N 6.478 126.924 120.400 0.076 0.000 2.990 302 D HA 0.581 5.218 4.640 -0.005 0.000 0.227 302 D C -1.332 175.018 176.300 0.085 0.000 1.249 302 D CA -0.296 53.742 54.000 0.063 0.000 0.891 302 D CB 2.362 43.175 40.800 0.020 0.000 1.647 302 D HN 0.606 nan 8.370 nan 0.000 0.530 303 A N 2.113 125.012 122.820 0.130 0.000 2.350 303 A HA 0.720 5.037 4.320 -0.005 0.000 0.324 303 A C -0.511 177.169 177.584 0.161 0.000 1.118 303 A CA -0.648 51.466 52.037 0.128 0.000 0.783 303 A CB 1.340 20.410 19.000 0.116 0.000 1.236 303 A HN 0.393 nan 8.150 nan 0.000 0.457 304 K N 2.389 122.853 120.400 0.106 0.000 2.318 304 K HA 0.530 4.847 4.320 -0.005 0.000 0.249 304 K C -2.334 174.315 176.600 0.081 0.000 0.942 304 K CA -1.723 54.627 56.287 0.105 0.000 0.808 304 K CB 2.511 35.054 32.500 0.071 0.000 1.189 304 K HN 0.396 nan 8.250 nan 0.000 0.428 305 P HA -0.013 nan 4.420 nan 0.000 0.261 305 P C -0.933 176.477 177.300 0.183 0.000 1.268 305 P CA 0.058 63.216 63.100 0.098 0.000 0.833 305 P CB 0.094 31.831 31.700 0.061 0.000 1.231 306 Y N -0.723 119.567 120.300 -0.016 0.000 2.997 306 Y HA -0.181 4.367 4.550 -0.004 0.000 0.116 306 Y C -1.010 174.874 175.900 -0.026 0.000 2.091 306 Y CA 0.218 58.306 58.100 -0.020 0.000 1.039 306 Y CB -2.012 36.441 38.460 -0.013 0.000 1.645 306 Y HN -0.048 nan 8.280 nan 0.000 0.338 307 S N 0.997 116.606 115.700 -0.151 0.000 2.556 307 S HA 0.538 5.005 4.470 -0.005 0.000 0.271 307 S C 0.520 175.001 174.600 -0.197 0.000 1.135 307 S CA -0.451 57.656 58.200 -0.155 0.000 0.858 307 S CB 2.051 65.203 63.200 -0.080 0.000 1.114 307 S HN 0.218 nan 8.310 nan 0.000 0.468 308 V N 2.176 121.982 119.914 -0.180 0.000 2.392 308 V HA -0.152 3.965 4.120 -0.005 0.000 0.249 308 V C 1.627 177.621 176.094 -0.168 0.000 1.059 308 V CA 2.054 64.255 62.300 -0.166 0.000 1.051 308 V CB -0.638 31.110 31.823 -0.125 0.000 0.658 308 V HN 0.907 nan 8.190 nan 0.000 0.455 309 N N -0.648 117.939 118.700 -0.189 0.000 2.275 309 N HA 0.228 4.965 4.740 -0.005 0.000 0.236 309 N C -0.301 174.985 175.510 -0.374 0.000 1.154 309 N CA -0.053 52.826 53.050 -0.286 0.000 0.866 309 N CB 0.433 38.748 38.487 -0.287 0.000 1.093 309 N HN 0.443 nan 8.380 nan 0.000 0.515 310 I N 1.251 121.682 120.570 -0.231 0.000 2.436 310 I HA 0.362 4.530 4.170 -0.005 0.000 0.289 310 I C 0.044 176.081 176.117 -0.133 0.000 1.010 310 I CA -0.998 60.194 61.300 -0.179 0.000 1.098 310 I CB 2.096 40.038 38.000 -0.098 0.000 1.266 310 I HN -0.161 nan 8.210 nan 0.000 0.434 311 I N 8.368 128.863 120.570 -0.125 0.000 2.741 311 I HA 0.024 4.192 4.170 -0.005 0.000 0.288 311 I C -2.033 174.055 176.117 -0.048 0.000 1.192 311 I CA -1.117 60.128 61.300 -0.092 0.000 1.426 311 I CB -0.009 37.936 38.000 -0.092 0.000 1.367 311 I HN 0.247 nan 8.210 nan 0.000 0.563 312 P HA 0.018 nan 4.420 nan 0.000 0.266 312 P C 0.745 178.054 177.300 0.014 0.000 1.215 312 P CA 0.186 63.286 63.100 -0.001 0.000 0.763 312 P CB 0.756 32.456 31.700 0.002 0.000 0.806 313 G N 2.661 111.479 108.800 0.031 0.000 2.880 313 G HA2 -0.024 3.934 3.960 -0.005 0.000 0.209 313 G HA3 -0.024 3.934 3.960 -0.005 0.000 0.209 313 G C 0.192 175.138 174.900 0.076 0.000 1.157 313 G CA 0.256 45.387 45.100 0.050 0.000 0.779 313 G HN 0.519 nan 8.290 nan 0.000 0.539 314 E N -0.550 119.687 120.200 0.062 0.000 2.335 314 E HA 0.495 4.842 4.350 -0.005 0.000 0.280 314 E C -1.869 174.749 176.600 0.030 0.000 0.918 314 E CA -0.514 55.917 56.400 0.052 0.000 0.765 314 E CB 2.700 32.457 29.700 0.094 0.000 1.218 314 E HN -0.108 nan 8.360 nan 0.000 0.425 315 V N 2.526 122.442 119.914 0.004 0.000 2.686 315 V HA 0.482 4.600 4.120 -0.005 0.000 0.306 315 V C -0.723 175.412 176.094 0.068 0.000 1.065 315 V CA -0.665 61.665 62.300 0.051 0.000 0.894 315 V CB 2.171 34.033 31.823 0.066 0.000 1.004 315 V HN 0.672 nan 8.190 nan 0.000 0.424 316 S N 4.812 120.566 115.700 0.090 0.000 2.503 316 S HA 0.917 5.384 4.470 -0.005 0.000 0.301 316 S C -0.824 173.892 174.600 0.193 0.000 1.087 316 S CA -0.533 57.715 58.200 0.080 0.000 1.042 316 S CB 1.472 64.679 63.200 0.012 0.000 1.043 316 S HN 0.717 nan 8.310 nan 0.000 0.489 317 F N -0.881 119.059 119.950 -0.016 0.000 2.654 317 F HA 0.782 5.307 4.527 -0.003 0.000 0.308 317 F C -0.285 175.516 175.800 0.001 0.000 1.108 317 F CA -1.030 56.957 58.000 -0.021 0.000 0.957 317 F CB 0.835 39.819 39.000 -0.026 0.000 1.309 317 F HN 0.525 nan 8.300 nan 0.000 0.446 318 T N 0.500 115.052 114.554 -0.004 0.000 2.944 318 T HA 0.819 5.166 4.350 -0.005 0.000 0.284 318 T C -0.909 173.775 174.700 -0.027 0.000 1.010 318 T CA -0.857 61.182 62.100 -0.101 0.000 1.025 318 T CB 1.813 70.608 68.868 -0.123 0.000 1.079 318 T HN 0.767 nan 8.240 nan 0.000 0.516 319 L N 1.552 122.752 121.223 -0.039 0.000 2.406 319 L HA 0.472 4.809 4.340 -0.005 0.000 0.272 319 L C -1.017 175.789 176.870 -0.107 0.000 0.980 319 L CA -0.905 53.928 54.840 -0.011 0.000 0.831 319 L CB 1.948 44.136 42.059 0.216 0.000 1.253 319 L HN 0.696 nan 8.230 nan 0.000 0.406 320 D N 3.290 123.502 120.400 -0.312 0.000 2.473 320 D HA 0.343 4.980 4.640 -0.005 0.000 0.226 320 D C -0.999 175.280 176.300 -0.036 0.000 1.089 320 D CA -0.122 53.795 54.000 -0.139 0.000 0.883 320 D CB 0.507 41.103 40.800 -0.340 0.000 1.029 320 D HN 0.097 nan 8.370 nan 0.000 0.517 321 F N 2.631 122.790 119.950 0.347 0.000 2.394 321 F HA 0.524 5.048 4.527 -0.005 0.000 0.340 321 F C 0.998 176.985 175.800 0.312 0.000 1.105 321 F CA -0.597 57.599 58.000 0.327 0.000 1.124 321 F CB 1.342 40.511 39.000 0.281 0.000 1.145 321 F HN 0.052 nan 8.300 nan 0.000 0.505 322 R N 1.668 122.449 120.500 0.469 0.000 2.651 322 R HA 0.464 4.801 4.340 -0.005 0.000 0.278 322 R C -1.632 174.864 176.300 0.326 0.000 1.010 322 R CA -0.784 55.531 56.100 0.359 0.000 0.896 322 R CB 1.687 32.153 30.300 0.277 0.000 1.211 322 R HN 0.708 nan 8.270 nan 0.000 0.456 323 H N 2.761 121.911 119.070 0.133 0.000 3.121 323 H HA 0.155 4.708 4.556 -0.005 0.000 0.337 323 H C -2.418 172.881 175.328 -0.048 0.000 1.198 323 H CA -1.559 54.504 56.048 0.024 0.000 1.274 323 H CB 2.481 32.243 29.762 0.000 0.000 1.954 323 H HN 0.282 nan 8.280 nan 0.000 0.531 324 P HA -0.161 nan 4.420 nan 0.000 0.216 324 P C 0.328 177.484 177.300 -0.239 0.000 1.154 324 P CA 1.382 64.015 63.100 -0.778 0.000 0.865 324 P CB 0.225 30.992 31.700 -1.555 0.000 0.789 325 S N -1.025 114.815 115.700 0.233 0.000 2.489 325 S HA 0.147 4.614 4.470 -0.005 0.000 0.291 325 S C 0.980 175.640 174.600 0.100 0.000 1.151 325 S CA -0.784 57.514 58.200 0.165 0.000 1.082 325 S CB 0.563 63.830 63.200 0.111 0.000 1.019 325 S HN -0.075 nan 8.310 nan 0.000 0.492 326 D N 3.569 123.990 120.400 0.034 0.000 2.097 326 D HA -0.125 4.512 4.640 -0.005 0.000 0.195 326 D C 0.885 177.146 176.300 -0.066 0.000 0.989 326 D CA 1.708 55.699 54.000 -0.015 0.000 0.827 326 D CB -0.207 40.579 40.800 -0.025 0.000 0.966 326 D HN 0.723 nan 8.370 nan 0.000 0.456 327 D N 0.379 120.732 120.400 -0.078 0.000 2.117 327 D HA -0.108 4.529 4.640 -0.005 0.000 0.197 327 D C 2.278 178.459 176.300 -0.198 0.000 0.987 327 D CA 0.520 54.449 54.000 -0.118 0.000 0.829 327 D CB 0.006 40.748 40.800 -0.097 0.000 0.961 327 D HN 0.029 nan 8.370 nan 0.000 0.460 328 V N 0.587 120.341 119.914 -0.268 0.000 2.307 328 V HA -0.173 3.944 4.120 -0.005 0.000 0.245 328 V C 2.262 178.088 176.094 -0.447 0.000 1.045 328 V CA 0.929 62.940 62.300 -0.481 0.000 1.024 328 V CB -0.470 30.832 31.823 -0.868 0.000 0.651 328 V HN 0.178 nan 8.190 nan 0.000 0.449 329 L N 1.035 122.082 121.223 -0.294 0.000 2.081 329 L HA -0.172 4.165 4.340 -0.005 0.000 0.212 329 L C 2.438 179.182 176.870 -0.209 0.000 1.080 329 L CA 2.380 57.123 54.840 -0.161 0.000 0.754 329 L CB -0.833 41.220 42.059 -0.010 0.000 0.893 329 L HN 0.252 nan 8.230 nan 0.000 0.433 330 A N -1.980 120.725 122.820 -0.191 0.000 1.969 330 A HA -0.058 4.259 4.320 -0.005 0.000 0.218 330 A C 1.595 179.039 177.584 -0.232 0.000 1.169 330 A CA 1.519 53.447 52.037 -0.183 0.000 0.635 330 A CB -0.933 17.984 19.000 -0.139 0.000 0.810 330 A HN 0.473 nan 8.150 nan 0.000 0.445 334 K N 1.349 121.595 120.400 -0.256 0.000 2.097 334 K HA -0.167 4.150 4.320 -0.005 0.000 0.206 334 K C 1.483 177.981 176.600 -0.171 0.000 1.049 334 K CA 2.188 58.368 56.287 -0.178 0.000 0.933 334 K CB 0.142 32.554 32.500 -0.145 0.000 0.717 334 K HN 0.303 nan 8.250 nan 0.000 0.442 335 E N -0.352 119.734 120.200 -0.190 0.000 2.122 335 E HA -0.050 4.297 4.350 -0.005 0.000 0.190 335 E C 1.914 178.393 176.600 -0.200 0.000 0.977 335 E CA 0.677 56.995 56.400 -0.136 0.000 0.820 335 E CB 0.028 29.696 29.700 -0.053 0.000 0.770 335 E HN 0.473 nan 8.360 nan 0.000 0.462 336 A N 1.432 124.053 122.820 -0.331 0.000 1.877 336 A HA -0.148 4.169 4.320 -0.005 0.000 0.216 336 A C 2.390 179.514 177.584 -0.766 0.000 1.186 336 A CA 1.733 53.427 52.037 -0.572 0.000 0.620 336 A CB -0.761 17.878 19.000 -0.600 0.000 0.822 336 A HN 0.307 nan 8.150 nan 0.000 0.443 337 A N -0.192 122.346 122.820 -0.470 0.000 1.940 337 A HA 0.099 4.416 4.320 -0.005 0.000 0.219 337 A C 2.483 180.036 177.584 -0.052 0.000 1.176 337 A CA 2.280 54.188 52.037 -0.214 0.000 0.631 337 A CB -0.973 17.985 19.000 -0.070 0.000 0.814 337 A HN 1.091 nan 8.150 nan 0.000 0.446 338 A N -0.967 121.804 122.820 -0.081 0.000 1.898 338 A HA -0.114 4.204 4.320 -0.005 0.000 0.216 338 A C 2.032 179.634 177.584 0.030 0.000 1.181 338 A CA 1.605 53.639 52.037 -0.006 0.000 0.620 338 A CB -0.374 18.610 19.000 -0.027 0.000 0.819 338 A HN 0.434 nan 8.150 nan 0.000 0.442 339 E N -0.364 119.829 120.200 -0.013 0.000 2.106 339 E HA -0.099 4.248 4.350 -0.005 0.000 0.192 339 E C 1.813 178.561 176.600 0.247 0.000 0.984 339 E CA 0.809 57.260 56.400 0.084 0.000 0.806 339 E CB -0.361 29.381 29.700 0.070 0.000 0.750 339 E HN 0.795 nan 8.360 nan 0.000 0.458 340 F N 1.054 120.976 119.950 -0.045 0.000 2.102 340 F HA -0.197 4.327 4.527 -0.005 0.000 0.298 340 F C 2.153 177.961 175.800 0.014 0.000 1.105 340 F CA 0.402 58.303 58.000 -0.165 0.000 1.239 340 F CB -0.060 38.649 39.000 -0.485 0.000 0.991 340 F HN -0.025 nan 8.300 nan 0.000 0.474 341 D N -0.003 120.628 120.400 0.385 0.000 2.182 341 D HA -0.171 4.466 4.640 -0.005 0.000 0.201 341 D C 2.116 178.542 176.300 0.209 0.000 0.986 341 D CA 0.881 55.091 54.000 0.350 0.000 0.847 341 D CB -0.346 40.594 40.800 0.232 0.000 0.942 341 D HN 0.165 nan 8.370 nan 0.000 0.467 342 R N -0.162 120.432 120.500 0.157 0.000 2.055 342 R HA -0.046 4.291 4.340 -0.005 0.000 0.226 342 R C 2.016 178.371 176.300 0.091 0.000 1.135 342 R CA 0.448 56.610 56.100 0.103 0.000 0.959 342 R CB -0.336 30.010 30.300 0.078 0.000 0.854 342 R HN 0.074 nan 8.270 nan 0.000 0.431 343 L N 1.217 122.494 121.223 0.090 0.000 2.083 343 L HA -0.140 4.198 4.340 -0.005 0.000 0.209 343 L C 2.270 179.168 176.870 0.046 0.000 1.083 343 L CA 1.286 56.154 54.840 0.047 0.000 0.752 343 L CB -0.637 41.431 42.059 0.015 0.000 0.899 343 L HN 0.240 nan 8.230 nan 0.000 0.433 344 I N -0.940 119.678 120.570 0.081 0.000 2.567 344 I HA -0.233 3.934 4.170 -0.005 0.000 0.257 344 I C 2.078 178.257 176.117 0.103 0.000 1.184 344 I CA 1.351 62.715 61.300 0.107 0.000 1.451 344 I CB -0.248 37.897 38.000 0.241 0.000 1.089 344 I HN 0.122 nan 8.210 nan 0.000 0.441 345 K N 0.037 120.492 120.400 0.093 0.000 2.374 345 K HA 0.280 4.597 4.320 -0.005 0.000 0.196 345 K C 0.278 176.911 176.600 0.056 0.000 1.023 345 K CA 0.147 56.480 56.287 0.076 0.000 1.103 345 K CB 0.416 32.961 32.500 0.074 0.000 0.848 345 K HN 0.271 nan 8.250 nan 0.000 0.528 346 I N 2.197 122.796 120.570 0.049 0.000 2.282 346 I HA 0.097 4.264 4.170 -0.005 0.000 0.290 346 I C -0.721 175.418 176.117 0.037 0.000 1.090 346 I CA -0.475 60.847 61.300 0.036 0.000 1.231 346 I CB 0.147 38.162 38.000 0.026 0.000 1.434 346 I HN 0.007 nan 8.210 nan 0.000 0.487 347 N N 3.943 122.668 118.700 0.042 0.000 2.929 347 N HA 0.082 4.819 4.740 -0.005 0.000 0.245 347 N C 0.041 175.584 175.510 0.054 0.000 1.081 347 N CA -0.353 52.729 53.050 0.052 0.000 1.048 347 N CB 1.393 39.915 38.487 0.059 0.000 1.629 347 N HN 0.252 nan 8.380 nan 0.000 0.598 348 D N 2.114 122.551 120.400 0.062 0.000 2.123 348 D HA -0.072 4.565 4.640 -0.005 0.000 0.196 348 D C 1.629 177.964 176.300 0.058 0.000 0.992 348 D CA 1.747 55.782 54.000 0.059 0.000 0.833 348 D CB -0.201 40.642 40.800 0.072 0.000 0.954 348 D HN 0.749 nan 8.370 nan 0.000 0.455 349 G N -0.231 108.609 108.800 0.067 0.000 2.708 349 G HA2 0.245 4.202 3.960 -0.005 0.000 0.210 349 G HA3 0.245 4.202 3.960 -0.005 0.000 0.210 349 G C 0.787 175.715 174.900 0.047 0.000 1.141 349 G CA 0.795 45.928 45.100 0.055 0.000 0.788 349 G HN 0.615 nan 8.290 nan 0.000 0.531 350 G N -1.869 106.960 108.800 0.048 0.000 2.555 350 G HA2 0.444 4.401 3.960 -0.005 0.000 0.686 350 G HA3 0.444 4.401 3.960 -0.005 0.000 0.686 350 G C -0.063 174.868 174.900 0.052 0.000 1.275 350 G CA -0.425 44.703 45.100 0.045 0.000 0.871 350 G HN 1.269 nan 8.290 nan 0.000 0.603 351 A N -0.130 122.721 122.820 0.053 0.000 2.511 351 A HA 0.603 4.921 4.320 -0.005 0.000 0.242 351 A C 0.814 178.442 177.584 0.074 0.000 1.069 351 A CA 0.700 52.776 52.037 0.065 0.000 0.763 351 A CB 0.152 19.191 19.000 0.064 0.000 1.001 351 A HN 1.390 nan 8.150 nan 0.000 0.498 352 L N 1.427 122.704 121.223 0.090 0.000 2.770 352 L HA 0.656 4.994 4.340 -0.005 0.000 0.229 352 L C 1.032 177.986 176.870 0.140 0.000 1.173 352 L CA 0.605 55.511 54.840 0.110 0.000 0.871 352 L CB 0.744 42.867 42.059 0.106 0.000 1.682 352 L HN 0.941 nan 8.230 nan 0.000 0.523 353 S N -1.574 114.238 115.700 0.186 0.000 2.596 353 S HA 0.751 5.218 4.470 -0.005 0.000 0.270 353 S C -1.444 173.343 174.600 0.311 0.000 1.155 353 S CA -0.744 57.583 58.200 0.212 0.000 0.827 353 S CB 1.682 64.965 63.200 0.138 0.000 1.130 353 S HN 0.586 nan 8.310 nan 0.000 0.467 354 Y N -0.777 119.609 120.300 0.144 0.000 2.544 354 Y HA 0.817 5.365 4.550 -0.004 0.000 0.342 354 Y C -1.231 174.749 175.900 0.133 0.000 1.062 354 Y CA -0.924 57.247 58.100 0.117 0.000 1.023 354 Y CB 1.228 39.734 38.460 0.078 0.000 1.308 354 Y HN 0.960 nan 8.280 nan 0.000 0.457 355 E N 1.737 122.014 120.200 0.128 0.000 2.288 355 E HA 0.687 5.034 4.350 -0.005 0.000 0.268 355 E C -1.400 175.291 176.600 0.152 0.000 0.885 355 E CA -1.162 55.258 56.400 0.034 0.000 0.767 355 E CB 2.378 32.129 29.700 0.085 0.000 1.220 355 E HN 0.754 nan 8.360 nan 0.000 0.427 356 S N 1.233 117.009 115.700 0.126 0.000 2.536 356 S HA 0.540 5.007 4.470 -0.005 0.000 0.298 356 S C -0.699 173.958 174.600 0.095 0.000 1.083 356 S CA -0.831 57.461 58.200 0.152 0.000 0.995 356 S CB 1.733 65.082 63.200 0.249 0.000 1.058 356 S HN 0.719 nan 8.310 nan 0.000 0.488 357 E N 0.997 121.248 120.200 0.085 0.000 2.314 357 E HA 0.495 4.843 4.350 -0.005 0.000 0.272 357 E C -1.418 175.240 176.600 0.096 0.000 0.884 357 E CA -0.824 55.622 56.400 0.076 0.000 0.753 357 E CB 1.856 31.593 29.700 0.061 0.000 1.213 357 E HN 0.563 nan 8.360 nan 0.000 0.432 358 T N 4.279 118.890 114.554 0.096 0.000 2.780 358 T HA 0.228 4.575 4.350 -0.005 0.000 0.294 358 T C 1.001 175.778 174.700 0.128 0.000 0.949 358 T CA -0.356 61.816 62.100 0.121 0.000 1.074 358 T CB 0.777 69.703 68.868 0.096 0.000 0.910 358 T HN 0.495 nan 8.240 nan 0.000 0.501 359 L N 1.636 122.971 121.223 0.186 0.000 2.200 359 L HA 0.293 4.631 4.340 -0.005 0.000 0.200 359 L C 1.115 178.105 176.870 0.200 0.000 1.072 359 L CA 0.747 55.708 54.840 0.201 0.000 0.787 359 L CB 0.156 42.371 42.059 0.259 0.000 0.957 359 L HN 0.579 nan 8.230 nan 0.000 0.459 360 Q N -1.351 118.587 119.800 0.229 0.000 2.578 360 Q HA 0.557 4.895 4.340 -0.005 0.000 0.284 360 Q C -1.939 174.054 176.000 -0.012 0.000 0.960 360 Q CA -0.310 55.539 55.803 0.076 0.000 0.809 360 Q CB 3.216 31.961 28.738 0.011 0.000 1.462 360 Q HN -0.173 nan 8.270 nan 0.000 0.392 361 V N 0.914 120.737 119.914 -0.152 0.000 3.012 361 V HA 0.852 4.970 4.120 -0.005 0.000 0.307 361 V C -1.881 173.904 176.094 -0.515 0.000 1.166 361 V CA -0.128 62.019 62.300 -0.255 0.000 0.974 361 V CB 2.406 34.159 31.823 -0.116 0.000 1.040 361 V HN 0.670 nan 8.190 nan 0.000 0.428 362 S N 6.871 122.086 115.700 -0.809 0.000 2.720 362 S HA 0.685 5.152 4.470 -0.005 0.000 0.278 362 S C -2.987 171.288 174.600 -0.540 0.000 1.172 362 S CA -0.979 56.707 58.200 -0.857 0.000 1.019 362 S CB 2.102 64.339 63.200 -1.605 0.000 1.049 362 S HN 0.594 nan 8.310 nan 0.000 0.483 363 P HA 0.284 nan 4.420 nan 0.000 0.271 363 P C -0.571 176.637 177.300 -0.153 0.000 1.233 363 P CA -0.240 62.748 63.100 -0.186 0.000 0.789 363 P CB 0.359 31.972 31.700 -0.144 0.000 0.951 364 A N 1.260 124.041 122.820 -0.064 0.000 2.366 364 A HA 0.421 4.738 4.320 -0.005 0.000 0.249 364 A C -0.423 177.110 177.584 -0.084 0.000 1.084 364 A CA -0.125 51.911 52.037 -0.002 0.000 0.794 364 A CB 0.095 19.185 19.000 0.150 0.000 1.034 364 A HN 0.364 nan 8.150 nan 0.000 0.491 365 V N 2.991 122.801 119.914 -0.174 0.000 2.531 365 V HA 0.243 4.360 4.120 -0.005 0.000 0.301 365 V C -0.465 175.323 176.094 -0.509 0.000 1.034 365 V CA -0.920 61.198 62.300 -0.303 0.000 0.865 365 V CB 1.798 33.429 31.823 -0.319 0.000 0.995 365 V HN 0.919 nan 8.190 nan 0.000 0.424 366 N N 3.932 122.408 118.700 -0.373 0.000 2.419 366 N HA 0.386 5.123 4.740 -0.005 0.000 0.264 366 N C -0.715 174.615 175.510 -0.300 0.000 1.031 366 N CA -0.250 52.552 53.050 -0.413 0.000 0.951 366 N CB 1.195 39.548 38.487 -0.224 0.000 1.101 366 N HN 0.354 nan 8.380 nan 0.000 0.488 367 F N 1.313 121.107 119.950 -0.259 0.000 2.418 367 F HA 0.073 4.598 4.527 -0.005 0.000 0.341 367 F C 1.618 177.340 175.800 -0.131 0.000 1.120 367 F CA -0.436 57.453 58.000 -0.186 0.000 1.232 367 F CB 0.144 39.011 39.000 -0.223 0.000 1.175 367 F HN 0.320 nan 8.300 nan 0.000 0.569 368 H N 3.738 122.848 119.070 0.068 0.000 3.034 368 H HA -0.057 4.496 4.556 -0.005 0.000 0.324 368 H C 1.279 176.599 175.328 -0.014 0.000 1.015 368 H CA 0.527 56.577 56.048 0.003 0.000 1.429 368 H CB 0.854 30.610 29.762 -0.010 0.000 1.429 368 H HN 0.774 nan 8.280 nan 0.000 0.585 369 E N 4.500 124.678 120.200 -0.037 0.000 2.208 369 E HA -0.092 4.256 4.350 -0.005 0.000 0.193 369 E C 1.385 178.057 176.600 0.120 0.000 0.988 369 E CA 0.632 57.045 56.400 0.021 0.000 0.828 369 E CB -0.058 29.607 29.700 -0.058 0.000 0.763 369 E HN 0.445 nan 8.360 nan 0.000 0.478 370 V N 0.904 121.006 119.914 0.313 0.000 2.407 370 V HA -0.263 3.854 4.120 -0.005 0.000 0.248 370 V C 2.604 178.769 176.094 0.118 0.000 1.055 370 V CA 1.697 64.075 62.300 0.129 0.000 1.049 370 V CB -0.489 31.359 31.823 0.041 0.000 0.662 370 V HN 0.462 nan 8.190 nan 0.000 0.455 371 C N -0.585 118.811 119.300 0.159 0.000 2.466 371 C HA -0.017 4.440 4.460 -0.005 0.000 0.278 371 C C 2.524 177.561 174.990 0.079 0.000 1.288 371 C CA 0.621 59.670 59.018 0.052 0.000 1.722 371 C CB -0.753 26.840 27.740 -0.244 0.000 2.017 371 C HN 0.543 nan 8.230 nan 0.000 0.488 372 I N 0.507 121.110 120.570 0.054 0.000 2.286 372 I HA -0.191 3.976 4.170 -0.005 0.000 0.248 372 I C 2.636 178.813 176.117 0.100 0.000 1.115 372 I CA 1.320 62.655 61.300 0.058 0.000 1.392 372 I CB -0.526 37.495 38.000 0.035 0.000 1.065 372 I HN 0.341 nan 8.210 nan 0.000 0.418 373 E N 0.392 120.648 120.200 0.093 0.000 2.086 373 E HA -0.286 4.061 4.350 -0.005 0.000 0.200 373 E C 2.396 179.067 176.600 0.118 0.000 1.012 373 E CA 1.834 58.285 56.400 0.085 0.000 0.812 373 E CB -0.435 29.287 29.700 0.038 0.000 0.743 373 E HN 0.542 nan 8.360 nan 0.000 0.453 374 C N -0.051 119.349 119.300 0.166 0.000 2.388 374 C HA -0.179 4.279 4.460 -0.005 0.000 0.277 374 C C 2.882 177.969 174.990 0.161 0.000 1.210 374 C CA 1.126 60.258 59.018 0.191 0.000 1.743 374 C CB -1.135 26.793 27.740 0.313 0.000 2.047 374 C HN 0.263 nan 8.230 nan 0.000 0.458 375 V N 0.102 120.128 119.914 0.185 0.000 2.287 375 V HA -0.233 3.884 4.120 -0.005 0.000 0.248 375 V C 2.561 178.740 176.094 0.141 0.000 1.053 375 V CA 2.416 64.799 62.300 0.139 0.000 1.027 375 V CB -1.085 30.815 31.823 0.128 0.000 0.646 375 V HN 0.643 nan 8.190 nan 0.000 0.447 376 S N -0.362 115.438 115.700 0.166 0.000 2.359 376 S HA -0.236 4.232 4.470 -0.005 0.000 0.223 376 S C 2.112 176.883 174.600 0.284 0.000 1.039 376 S CA 1.730 60.083 58.200 0.256 0.000 1.042 376 S CB -0.283 63.043 63.200 0.210 0.000 0.915 376 S HN 0.555 nan 8.310 nan 0.000 0.439 377 R N 0.251 120.858 120.500 0.179 0.000 2.280 377 R HA 0.041 4.378 4.340 -0.005 0.000 0.207 377 R C 2.486 178.869 176.300 0.139 0.000 1.043 377 R CA 0.978 57.164 56.100 0.144 0.000 1.006 377 R CB -0.232 30.126 30.300 0.098 0.000 0.885 377 R HN 0.417 nan 8.270 nan 0.000 0.467 378 S N 0.440 116.222 115.700 0.137 0.000 2.370 378 S HA 0.047 4.515 4.470 -0.005 0.000 0.214 378 S C 2.078 176.753 174.600 0.126 0.000 1.033 378 S CA 0.575 58.835 58.200 0.101 0.000 0.941 378 S CB -0.028 63.212 63.200 0.066 0.000 0.886 378 S HN 0.307 nan 8.310 nan 0.000 0.521 379 A N 0.578 123.477 122.820 0.132 0.000 1.908 379 A HA 0.022 4.339 4.320 -0.005 0.000 0.218 379 A C 1.964 179.630 177.584 0.138 0.000 1.181 379 A CA 1.607 53.724 52.037 0.133 0.000 0.627 379 A CB -1.191 17.804 19.000 -0.008 0.000 0.818 379 A HN 0.637 nan 8.150 nan 0.000 0.445 380 F N -0.134 119.889 119.950 0.123 0.000 2.234 380 F HA -0.038 4.486 4.527 -0.005 0.000 0.299 380 F C 2.624 178.465 175.800 0.070 0.000 1.087 380 F CA 0.895 58.955 58.000 0.101 0.000 1.340 380 F CB -0.023 39.018 39.000 0.069 0.000 1.031 380 F HN 0.264 nan 8.300 nan 0.000 0.500 381 A N -1.204 121.751 122.820 0.225 0.000 2.209 381 A HA -0.130 4.187 4.320 -0.005 0.000 0.212 381 A C 1.836 179.430 177.584 0.017 0.000 1.158 381 A CA 1.218 53.320 52.037 0.107 0.000 0.742 381 A CB -0.354 18.693 19.000 0.078 0.000 0.790 381 A HN 0.480 nan 8.150 nan 0.000 0.472 382 Q N -2.619 117.177 119.800 -0.006 0.000 2.211 382 Q HA 0.381 4.718 4.340 -0.005 0.000 0.242 382 Q C -1.149 174.497 176.000 -0.590 0.000 0.825 382 Q CA 0.023 55.670 55.803 -0.259 0.000 0.951 382 Q CB 0.822 29.413 28.738 -0.246 0.000 1.130 382 Q HN 0.553 nan 8.270 nan 0.000 0.496 383 F N 0.630 120.567 119.950 -0.022 0.000 2.591 383 F HA 0.386 4.910 4.527 -0.005 0.000 0.309 383 F C -0.452 175.337 175.800 -0.017 0.000 1.098 383 F CA -1.288 56.687 58.000 -0.043 0.000 0.937 383 F CB 1.372 40.315 39.000 -0.096 0.000 1.250 383 F HN -0.357 nan 8.300 nan 0.000 0.447 384 K N 2.189 122.696 120.400 0.179 0.000 2.518 384 K HA 0.007 4.324 4.320 -0.005 0.000 0.276 384 K C 0.606 177.294 176.600 0.147 0.000 0.974 384 K CA -0.038 56.334 56.287 0.142 0.000 0.986 384 K CB 0.621 33.186 32.500 0.108 0.000 0.901 384 K HN 0.679 nan 8.250 nan 0.000 0.497 385 K N 1.516 122.048 120.400 0.219 0.000 2.286 385 K HA -0.194 4.123 4.320 -0.005 0.000 0.203 385 K C 0.838 177.550 176.600 0.187 0.000 1.045 385 K CA 2.072 58.568 56.287 0.348 0.000 0.935 385 K CB -0.110 32.606 32.500 0.360 0.000 0.737 385 K HN 0.584 nan 8.250 nan 0.000 0.460 386 D N 0.110 120.574 120.400 0.108 0.000 2.348 386 D HA -0.087 4.550 4.640 -0.005 0.000 0.211 386 D C 1.264 177.573 176.300 0.014 0.000 0.998 386 D CA 0.362 54.401 54.000 0.064 0.000 0.873 386 D CB 0.047 40.882 40.800 0.060 0.000 0.925 386 D HN 0.155 nan 8.370 nan 0.000 0.524 387 Q N 0.505 120.300 119.800 -0.009 0.000 2.425 387 Q HA 0.112 4.449 4.340 -0.005 0.000 0.204 387 Q C 0.137 176.031 176.000 -0.176 0.000 0.933 387 Q CA 0.400 56.161 55.803 -0.069 0.000 0.939 387 Q CB 1.006 29.737 28.738 -0.011 0.000 1.044 387 Q HN 0.271 nan 8.270 nan 0.000 0.513 388 V N 0.507 120.286 119.914 -0.225 0.000 2.715 388 V HA 0.596 4.713 4.120 -0.005 0.000 0.310 388 V C -0.205 175.788 176.094 -0.170 0.000 1.054 388 V CA -0.992 61.093 62.300 -0.357 0.000 0.928 388 V CB 2.387 33.644 31.823 -0.942 0.000 1.007 388 V HN 0.068 nan 8.190 nan 0.000 0.437 389 R N 1.763 122.205 120.500 -0.096 0.000 2.594 389 R HA 0.383 4.720 4.340 -0.005 0.000 0.265 389 R C -1.455 174.876 176.300 0.053 0.000 1.070 389 R CA -0.676 55.438 56.100 0.023 0.000 0.909 389 R CB 2.405 32.724 30.300 0.032 0.000 1.243 389 R HN 0.861 nan 8.270 nan 0.000 0.455 390 Q N 3.491 123.352 119.800 0.102 0.000 2.314 390 Q HA 0.408 4.746 4.340 -0.005 0.000 0.257 390 Q C -0.280 175.800 176.000 0.133 0.000 0.975 390 Q CA 0.016 55.881 55.803 0.104 0.000 0.933 390 Q CB 1.166 29.979 28.738 0.125 0.000 1.195 390 Q HN 0.361 nan 8.270 nan 0.000 0.426 391 I N 1.470 122.109 120.570 0.114 0.000 2.648 391 I HA 0.312 4.479 4.170 -0.005 0.000 0.304 391 I C -0.721 175.501 176.117 0.175 0.000 1.009 391 I CA -0.879 60.535 61.300 0.189 0.000 1.114 391 I CB 1.411 39.553 38.000 0.237 0.000 1.293 391 I HN 0.586 nan 8.210 nan 0.000 0.449 392 W N 3.384 124.716 121.300 0.054 0.000 2.291 392 W HA 0.283 4.940 4.660 -0.005 0.000 0.312 392 W C 0.825 177.407 176.519 0.104 0.000 1.061 392 W CA -0.246 57.115 57.345 0.027 0.000 1.296 392 W CB 1.336 30.789 29.460 -0.012 0.000 1.223 392 W HN 0.367 nan 8.180 nan 0.000 0.421 393 S N 2.773 118.620 115.700 0.245 0.000 2.544 393 S HA 0.127 4.594 4.470 -0.005 0.000 0.290 393 S C 1.446 176.256 174.600 0.350 0.000 1.276 393 S CA 0.802 59.242 58.200 0.400 0.000 1.075 393 S CB 0.674 64.092 63.200 0.362 0.000 0.849 393 S HN 0.732 nan 8.310 nan 0.000 0.494 394 G N 4.197 113.194 108.800 0.329 0.000 2.433 394 G HA2 0.216 4.173 3.960 -0.005 0.000 0.216 394 G HA3 0.216 4.173 3.960 -0.005 0.000 0.216 394 G C 0.531 175.554 174.900 0.205 0.000 1.186 394 G CA 0.629 45.865 45.100 0.226 0.000 0.779 394 G HN 1.096 nan 8.290 nan 0.000 0.543 395 A N -0.509 122.426 122.820 0.191 0.000 2.294 395 A HA 0.726 5.043 4.320 -0.005 0.000 0.330 395 A C 0.618 178.234 177.584 0.053 0.000 1.133 395 A CA 0.111 52.196 52.037 0.079 0.000 0.836 395 A CB 0.947 19.920 19.000 -0.045 0.000 1.190 395 A HN 0.699 nan 8.150 nan 0.000 0.492 396 G N -0.036 108.766 108.800 0.003 0.000 2.503 396 G HA2 0.524 4.481 3.960 -0.005 0.000 0.257 396 G HA3 0.524 4.481 3.960 -0.005 0.000 0.257 396 G C -0.206 174.547 174.900 -0.246 0.000 1.214 396 G CA -0.141 44.964 45.100 0.009 0.000 0.839 396 G HN 0.757 nan 8.290 nan 0.000 0.559 397 H N -0.393 118.725 119.070 0.081 0.000 3.048 397 H HA 0.224 4.777 4.556 -0.005 0.000 0.296 397 H C 0.263 175.589 175.328 -0.003 0.000 1.508 397 H CA -0.646 55.440 56.048 0.063 0.000 1.250 397 H CB 1.893 31.722 29.762 0.112 0.000 1.896 397 H HN 0.440 nan 8.280 nan 0.000 0.604 398 D N 0.019 120.493 120.400 0.122 0.000 2.178 398 D HA -0.078 4.559 4.640 -0.005 0.000 0.202 398 D C 1.640 177.795 176.300 -0.241 0.000 0.974 398 D CA 0.964 54.833 54.000 -0.218 0.000 0.841 398 D CB 0.032 40.585 40.800 -0.411 0.000 0.953 398 D HN 0.247 nan 8.370 nan 0.000 0.478 399 S N 0.204 115.921 115.700 0.028 0.000 2.419 399 S HA -0.154 4.313 4.470 -0.005 0.000 0.235 399 S C 2.173 176.854 174.600 0.136 0.000 1.019 399 S CA 0.395 58.623 58.200 0.045 0.000 0.982 399 S CB -0.269 62.937 63.200 0.010 0.000 0.789 399 S HN 0.381 nan 8.310 nan 0.000 0.490 400 C N 1.361 120.753 119.300 0.154 0.000 2.411 400 C HA -0.054 4.403 4.460 -0.005 0.000 0.279 400 C C 2.747 177.717 174.990 -0.034 0.000 1.288 400 C CA 0.545 59.616 59.018 0.088 0.000 1.764 400 C CB -0.995 26.775 27.740 0.050 0.000 1.974 400 C HN 0.551 nan 8.230 nan 0.000 0.498 401 Q N -0.040 119.699 119.800 -0.102 0.000 2.212 401 Q HA -0.048 4.289 4.340 -0.005 0.000 0.199 401 Q C 2.271 178.230 176.000 -0.069 0.000 0.950 401 Q CA 1.900 57.629 55.803 -0.123 0.000 0.863 401 Q CB -0.962 27.672 28.738 -0.174 0.000 0.944 401 Q HN 0.852 nan 8.270 nan 0.000 0.465 402 T N -2.226 112.280 114.554 -0.079 0.000 3.088 402 T HA 0.263 4.610 4.350 -0.005 0.000 0.259 402 T C 1.858 176.582 174.700 0.040 0.000 1.122 402 T CA 0.639 62.780 62.100 0.069 0.000 1.095 402 T CB 0.057 68.834 68.868 -0.151 0.000 0.930 402 T HN 0.153 nan 8.240 nan 0.000 0.508 403 A N 3.255 126.074 122.820 -0.003 0.000 1.902 403 A HA 0.084 4.401 4.320 -0.005 0.000 0.217 403 A C 0.470 178.012 177.584 -0.071 0.000 1.181 403 A CA 1.061 53.119 52.037 0.034 0.000 0.623 403 A CB -1.453 17.612 19.000 0.109 0.000 0.818 403 A HN 0.563 nan 8.150 nan 0.000 0.443 404 P HA -0.004 nan 4.420 nan 0.000 0.245 404 P C 0.243 177.246 177.300 -0.494 0.000 1.212 404 P CA 0.936 63.806 63.100 -0.384 0.000 0.774 404 P CB 0.004 31.392 31.700 -0.519 0.000 0.999 405 H N -0.508 118.503 119.070 -0.100 0.000 2.249 405 H HA 0.154 4.707 4.556 -0.005 0.000 0.261 405 H C 0.939 176.292 175.328 0.041 0.000 0.976 405 H CA 0.404 56.379 56.048 -0.123 0.000 1.322 405 H CB -0.275 29.275 29.762 -0.353 0.000 1.418 405 H HN -0.068 nan 8.280 nan 0.000 0.561 406 V N 1.555 121.607 119.914 0.231 0.000 2.612 406 V HA 0.446 4.563 4.120 -0.005 0.000 0.301 406 V C -2.503 173.654 176.094 0.105 0.000 1.046 406 V CA -2.337 60.076 62.300 0.188 0.000 0.946 406 V CB 1.912 33.887 31.823 0.253 0.000 1.003 406 V HN -0.004 nan 8.190 nan 0.000 0.459 407 P HA 0.169 nan 4.420 nan 0.000 0.261 407 P C -0.202 177.012 177.300 -0.143 0.000 1.173 407 P CA 0.800 63.820 63.100 -0.134 0.000 0.760 407 P CB 0.391 31.781 31.700 -0.516 0.000 0.783 408 T N 0.560 115.052 114.554 -0.103 0.000 2.889 408 T HA 0.574 4.922 4.350 -0.005 0.000 0.315 408 T C -1.197 173.244 174.700 -0.432 0.000 1.291 408 T CA -0.413 61.507 62.100 -0.300 0.000 1.028 408 T CB 1.549 70.348 68.868 -0.116 0.000 1.235 408 T HN 0.349 nan 8.240 nan 0.000 0.491 412 F N 4.883 124.822 119.950 -0.017 0.000 2.523 412 F HA 0.728 5.252 4.527 -0.005 0.000 0.329 412 F C -0.179 175.596 175.800 -0.041 0.000 1.061 412 F CA -1.075 56.921 58.000 -0.006 0.000 0.967 412 F CB 2.057 41.063 39.000 0.009 0.000 1.218 412 F HN 0.121 nan 8.300 nan 0.000 0.480 413 I N 2.598 123.241 120.570 0.122 0.000 2.619 413 I HA 0.262 4.429 4.170 -0.005 0.000 0.292 413 I C -2.558 173.499 176.117 -0.099 0.000 1.100 413 I CA -2.390 58.895 61.300 -0.025 0.000 1.043 413 I CB 2.810 40.786 38.000 -0.040 0.000 1.239 413 I HN 0.177 nan 8.210 nan 0.000 0.420 414 P HA -0.005 nan 4.420 nan 0.000 0.261 414 P C -0.933 176.280 177.300 -0.145 0.000 1.173 414 P CA 0.305 63.334 63.100 -0.118 0.000 0.760 414 P CB 0.406 32.040 31.700 -0.110 0.000 0.783 415 S N 3.202 118.828 115.700 -0.124 0.000 2.438 415 S HA 0.193 4.660 4.470 -0.005 0.000 0.316 415 S C 0.020 174.585 174.600 -0.058 0.000 1.084 415 S CA -0.726 57.411 58.200 -0.105 0.000 1.107 415 S CB 0.302 63.444 63.200 -0.098 0.000 0.981 415 S HN 0.299 nan 8.310 nan 0.000 0.466 416 K N 2.512 122.895 120.400 -0.029 0.000 2.451 416 K HA -0.040 4.277 4.320 -0.005 0.000 0.280 416 K C -0.145 176.469 176.600 0.023 0.000 1.020 416 K CA 0.445 56.747 56.287 0.026 0.000 1.008 416 K CB 0.126 32.702 32.500 0.125 0.000 0.917 416 K HN 0.634 nan 8.250 nan 0.000 0.478 417 D N 2.376 122.779 120.400 0.006 0.000 3.059 417 D HA -0.184 4.454 4.640 -0.005 0.000 0.213 417 D C 0.278 176.567 176.300 -0.018 0.000 1.144 417 D CA 1.483 55.479 54.000 -0.008 0.000 0.975 417 D CB -1.345 39.450 40.800 -0.009 0.000 1.125 417 D HN 1.044 nan 8.370 nan 0.000 0.412 418 G N 0.503 109.288 108.800 -0.024 0.000 2.354 418 G HA2 -0.085 3.872 3.960 -0.005 0.000 0.278 418 G HA3 -0.085 3.872 3.960 -0.005 0.000 0.278 418 G C -0.442 174.437 174.900 -0.034 0.000 0.953 418 G CA 0.517 45.593 45.100 -0.038 0.000 1.346 418 G HN 0.496 nan 8.290 nan 0.000 0.467 419 L N 0.872 122.084 121.223 -0.019 0.000 2.409 419 L HA 0.927 5.264 4.340 -0.005 0.000 0.272 419 L C -0.229 176.648 176.870 0.012 0.000 0.980 419 L CA -0.653 54.187 54.840 0.001 0.000 0.826 419 L CB 2.074 44.154 42.059 0.035 0.000 1.268 419 L HN 0.516 nan 8.230 nan 0.000 0.407 420 S N 2.331 118.020 115.700 -0.018 0.000 2.685 420 S HA 0.553 5.020 4.470 -0.005 0.000 0.282 420 S C -0.759 173.872 174.600 0.052 0.000 1.159 420 S CA -0.349 57.840 58.200 -0.018 0.000 0.833 420 S CB 0.700 63.789 63.200 -0.185 0.000 1.151 420 S HN 0.863 nan 8.310 nan 0.000 0.485 421 H N 0.368 119.496 119.070 0.096 0.000 2.626 421 H HA -0.148 4.405 4.556 -0.005 0.000 0.317 421 H C -0.234 175.117 175.328 0.038 0.000 1.140 421 H CA 0.807 56.894 56.048 0.065 0.000 1.134 421 H CB -1.176 28.607 29.762 0.035 0.000 1.486 421 H HN 0.379 nan 8.280 nan 0.000 0.417 422 N N -0.652 118.160 118.700 0.187 0.000 2.446 422 N HA 0.016 4.753 4.740 -0.005 0.000 0.272 422 N C 0.563 176.218 175.510 0.242 0.000 1.127 422 N CA -0.559 52.570 53.050 0.131 0.000 0.896 422 N CB 1.098 39.654 38.487 0.115 0.000 1.658 422 N HN 0.141 nan 8.380 nan 0.000 0.483 423 Y N 1.082 121.454 120.300 0.119 0.000 2.133 423 Y HA -0.300 4.247 4.550 -0.005 0.000 0.279 423 Y C 0.823 176.699 175.900 -0.041 0.000 1.209 423 Y CA 1.505 59.613 58.100 0.014 0.000 1.152 423 Y CB 0.032 38.383 38.460 -0.181 0.000 0.961 423 Y HN 0.587 nan 8.280 nan 0.000 0.512 424 Y N 0.150 120.518 120.300 0.114 0.000 2.462 424 Y HA 0.058 4.606 4.550 -0.004 0.000 0.293 424 Y C 0.698 176.714 175.900 0.194 0.000 1.195 424 Y CA -0.306 57.779 58.100 -0.025 0.000 1.276 424 Y CB -0.392 37.909 38.460 -0.266 0.000 1.082 424 Y HN 0.024 nan 8.280 nan 0.000 0.514 425 E N 1.277 121.690 120.200 0.355 0.000 2.614 425 E HA -0.118 4.229 4.350 -0.005 0.000 0.245 425 E C -1.167 175.702 176.600 0.448 0.000 1.039 425 E CA 0.174 56.775 56.400 0.336 0.000 0.948 425 E CB 0.123 30.014 29.700 0.318 0.000 0.937 425 E HN 0.323 nan 8.360 nan 0.000 0.498 426 Y N 2.315 122.677 120.300 0.105 0.000 2.562 426 Y HA 0.455 5.002 4.550 -0.005 0.000 0.343 426 Y C -0.982 174.686 175.900 -0.388 0.000 1.025 426 Y CA -0.865 57.183 58.100 -0.086 0.000 1.082 426 Y CB 2.235 40.703 38.460 0.014 0.000 1.264 426 Y HN 0.352 nan 8.280 nan 0.000 0.478 427 S N 2.251 117.032 115.700 -1.532 0.000 2.626 427 S HA 0.225 4.692 4.470 -0.005 0.000 0.275 427 S C -1.267 172.483 174.600 -1.417 0.000 1.175 427 S CA -0.833 56.634 58.200 -1.221 0.000 0.982 427 S CB 1.216 63.853 63.200 -0.939 0.000 1.093 427 S HN 0.787 nan 8.310 nan 0.000 0.472 428 S N 4.228 119.356 115.700 -0.953 0.000 2.561 428 S HA 0.095 4.562 4.470 -0.005 0.000 0.294 428 S C -1.024 173.355 174.600 -0.368 0.000 1.294 428 S CA -0.458 57.419 58.200 -0.537 0.000 1.055 428 S CB 0.376 63.455 63.200 -0.202 0.000 0.819 428 S HN 0.505 nan 8.310 nan 0.000 0.503 429 P HA -0.185 nan 4.420 nan 0.000 0.216 429 P C 1.252 178.514 177.300 -0.062 0.000 1.150 429 P CA 1.354 64.393 63.100 -0.101 0.000 0.843 429 P CB 0.054 31.732 31.700 -0.036 0.000 0.787 430 E N 0.243 120.412 120.200 -0.052 0.000 2.017 430 E HA -0.206 4.141 4.350 -0.005 0.000 0.193 430 E C 2.103 178.688 176.600 -0.024 0.000 0.997 430 E CA 1.161 57.553 56.400 -0.012 0.000 0.804 430 E CB -0.240 29.461 29.700 0.001 0.000 0.757 430 E HN 0.251 nan 8.360 nan 0.000 0.448 431 E N 0.286 120.434 120.200 -0.088 0.000 2.147 431 E HA -0.234 4.113 4.350 -0.005 0.000 0.199 431 E C 2.101 178.650 176.600 -0.085 0.000 1.005 431 E CA 1.344 57.676 56.400 -0.113 0.000 0.810 431 E CB -0.158 29.433 29.700 -0.181 0.000 0.736 431 E HN 0.295 nan 8.360 nan 0.000 0.460 432 I N 0.736 121.251 120.570 -0.093 0.000 2.127 432 I HA -0.312 3.855 4.170 -0.005 0.000 0.241 432 I C 2.458 178.617 176.117 0.070 0.000 1.075 432 I CA 1.480 62.760 61.300 -0.034 0.000 1.334 432 I CB -0.111 37.864 38.000 -0.042 0.000 1.040 432 I HN 0.054 nan 8.210 nan 0.000 0.405 433 E N 0.797 121.057 120.200 0.100 0.000 2.085 433 E HA -0.236 4.111 4.350 -0.005 0.000 0.194 433 E C 1.816 178.548 176.600 0.220 0.000 0.994 433 E CA 1.854 58.392 56.400 0.230 0.000 0.801 433 E CB -0.124 29.685 29.700 0.181 0.000 0.743 433 E HN 0.490 nan 8.360 nan 0.000 0.453 434 N N -0.842 117.945 118.700 0.146 0.000 2.061 434 N HA -0.165 4.572 4.740 -0.005 0.000 0.193 434 N C 1.867 177.424 175.510 0.079 0.000 1.030 434 N CA 1.212 54.364 53.050 0.170 0.000 0.856 434 N CB -0.385 38.087 38.487 -0.024 0.000 1.023 434 N HN 0.240 nan 8.380 nan 0.000 0.424 435 G N 0.359 109.174 108.800 0.027 0.000 2.402 435 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.216 435 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.216 435 G C 1.284 176.239 174.900 0.092 0.000 1.162 435 G CA 0.326 45.444 45.100 0.031 0.000 0.777 435 G HN 0.304 nan 8.290 nan 0.000 0.539 436 F N 1.988 121.934 119.950 -0.005 0.000 2.095 436 F HA -0.046 4.478 4.527 -0.005 0.000 0.298 436 F C 2.494 178.285 175.800 -0.015 0.000 1.104 436 F CA 1.755 59.743 58.000 -0.019 0.000 1.232 436 F CB -0.224 38.762 39.000 -0.024 0.000 0.987 436 F HN -0.020 nan 8.300 nan 0.000 0.475 437 K N 0.277 120.477 120.400 -0.332 0.000 2.103 437 K HA -0.131 4.186 4.320 -0.005 0.000 0.207 437 K C 2.174 178.657 176.600 -0.195 0.000 1.048 437 K CA 1.606 57.670 56.287 -0.372 0.000 0.930 437 K CB -0.729 31.714 32.500 -0.093 0.000 0.716 437 K HN 0.300 nan 8.250 nan 0.000 0.444 438 V N 1.588 121.474 119.914 -0.047 0.000 2.270 438 V HA -0.230 3.887 4.120 -0.005 0.000 0.245 438 V C 2.327 178.380 176.094 -0.067 0.000 1.043 438 V CA 1.258 63.554 62.300 -0.006 0.000 1.014 438 V CB -0.435 31.404 31.823 0.028 0.000 0.645 438 V HN 0.193 nan 8.190 nan 0.000 0.447 439 L N 0.012 121.191 121.223 -0.074 0.000 1.990 439 L HA -0.204 4.133 4.340 -0.005 0.000 0.213 439 L C 2.307 179.073 176.870 -0.174 0.000 1.072 439 L CA 2.242 57.032 54.840 -0.083 0.000 0.755 439 L CB -0.670 41.391 42.059 0.003 0.000 0.889 439 L HN 0.332 nan 8.230 nan 0.000 0.432 440 L N -0.920 120.158 121.223 -0.243 0.000 1.990 440 L HA -0.270 4.067 4.340 -0.005 0.000 0.213 440 L C 2.531 179.302 176.870 -0.165 0.000 1.072 440 L CA 1.808 56.491 54.840 -0.262 0.000 0.755 440 L CB -0.626 41.167 42.059 -0.444 0.000 0.889 440 L HN 0.389 nan 8.230 nan 0.000 0.432 441 Q N -0.141 119.565 119.800 -0.158 0.000 2.124 441 Q HA -0.174 4.163 4.340 -0.005 0.000 0.202 441 Q C 2.345 178.311 176.000 -0.056 0.000 0.977 441 Q CA 1.662 57.418 55.803 -0.078 0.000 0.850 441 Q CB -0.520 28.180 28.738 -0.065 0.000 0.901 441 Q HN 0.745 nan 8.270 nan 0.000 0.429 442 A N 0.979 123.736 122.820 -0.105 0.000 1.908 442 A HA -0.174 4.143 4.320 -0.005 0.000 0.218 442 A C 2.169 179.547 177.584 -0.344 0.000 1.181 442 A CA 1.211 53.157 52.037 -0.152 0.000 0.627 442 A CB -0.694 18.220 19.000 -0.143 0.000 0.818 442 A HN 0.304 nan 8.150 nan 0.000 0.445 443 I N -0.309 120.007 120.570 -0.424 0.000 2.179 443 I HA -0.278 3.889 4.170 -0.005 0.000 0.242 443 I C 2.295 178.418 176.117 0.011 0.000 1.088 443 I CA 1.508 62.605 61.300 -0.337 0.000 1.357 443 I CB -0.371 37.522 38.000 -0.179 0.000 1.051 443 I HN 0.298 nan 8.210 nan 0.000 0.409 444 I N 0.814 121.436 120.570 0.087 0.000 2.264 444 I HA -0.310 3.857 4.170 -0.005 0.000 0.248 444 I C 2.165 178.371 176.117 0.148 0.000 1.111 444 I CA 1.285 62.696 61.300 0.185 0.000 1.382 444 I CB -0.572 37.549 38.000 0.202 0.000 1.060 444 I HN 0.332 nan 8.210 nan 0.000 0.418 445 N N 0.061 118.824 118.700 0.106 0.000 2.188 445 N HA -0.210 4.527 4.740 -0.005 0.000 0.184 445 N C 1.828 177.448 175.510 0.185 0.000 1.018 445 N CA 1.282 54.407 53.050 0.126 0.000 0.858 445 N CB -0.362 38.189 38.487 0.106 0.000 0.989 445 N HN 0.409 nan 8.380 nan 0.000 0.426 446 Y N 1.902 122.261 120.300 0.100 0.000 2.220 446 Y HA -0.116 4.431 4.550 -0.005 0.000 0.291 446 Y C 2.237 178.264 175.900 0.213 0.000 1.129 446 Y CA 1.406 59.631 58.100 0.210 0.000 1.161 446 Y CB -0.249 38.367 38.460 0.259 0.000 0.997 446 Y HN 0.024 nan 8.280 nan 0.000 0.522 447 D N -0.096 120.472 120.400 0.279 0.000 2.158 447 D HA -0.222 4.415 4.640 -0.005 0.000 0.197 447 D C 1.221 177.597 176.300 0.128 0.000 0.995 447 D CA 1.503 55.634 54.000 0.218 0.000 0.846 447 D CB -0.086 40.846 40.800 0.221 0.000 0.941 447 D HN 0.402 nan 8.370 nan 0.000 0.456 448 N N -0.591 118.174 118.700 0.109 0.000 2.416 448 N HA -0.117 4.621 4.740 -0.005 0.000 0.177 448 N C 1.559 177.103 175.510 0.058 0.000 1.036 448 N CA 0.224 53.323 53.050 0.082 0.000 0.901 448 N CB -0.499 38.040 38.487 0.087 0.000 0.976 448 N HN 0.473 nan 8.380 nan 0.000 0.444 449 Y N 1.691 121.931 120.300 -0.099 0.000 2.242 449 Y HA -0.063 4.484 4.550 -0.005 0.000 0.291 449 Y C 2.291 178.075 175.900 -0.192 0.000 1.137 449 Y CA 1.293 59.299 58.100 -0.156 0.000 1.181 449 Y CB 0.056 38.373 38.460 -0.239 0.000 0.989 449 Y HN -0.123 nan 8.280 nan 0.000 0.527 450 R N -0.272 119.914 120.500 -0.523 0.000 2.152 450 R HA -0.136 4.201 4.340 -0.005 0.000 0.232 450 R C 1.949 178.050 176.300 -0.333 0.000 1.117 450 R CA 1.488 57.208 56.100 -0.633 0.000 0.981 450 R CB -0.243 29.668 30.300 -0.649 0.000 0.870 450 R HN 0.335 nan 8.270 nan 0.000 0.451 451 V N 0.500 120.395 119.914 -0.032 0.000 2.323 451 V HA -0.183 3.935 4.120 -0.005 0.000 0.244 451 V C 2.039 178.150 176.094 0.029 0.000 1.041 451 V CA 1.584 63.959 62.300 0.126 0.000 1.025 451 V CB -0.366 31.523 31.823 0.110 0.000 0.656 451 V HN 0.238 nan 8.190 nan 0.000 0.451 452 I N 0.080 120.608 120.570 -0.070 0.000 2.439 452 I HA -0.119 4.048 4.170 -0.005 0.000 0.251 452 I C 2.660 178.719 176.117 -0.096 0.000 1.139 452 I CA 1.331 62.597 61.300 -0.056 0.000 1.438 452 I CB -0.536 37.459 38.000 -0.009 0.000 1.085 452 I HN 0.156 nan 8.210 nan 0.000 0.427 453 R N 1.713 122.009 120.500 -0.340 0.000 2.091 453 R HA -0.144 4.193 4.340 -0.005 0.000 0.238 453 R C 2.400 178.598 176.300 -0.169 0.000 1.136 453 R CA 1.792 57.657 56.100 -0.393 0.000 0.959 453 R CB -0.684 29.110 30.300 -0.844 0.000 0.856 453 R HN 0.407 nan 8.270 nan 0.000 0.437 454 G N 1.033 109.765 108.800 -0.114 0.000 2.476 454 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.218 454 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.218 454 G C 0.589 175.490 174.900 0.002 0.000 1.164 454 G CA 0.813 45.905 45.100 -0.015 0.000 0.768 454 G HN 0.401 nan 8.290 nan 0.000 0.560 455 H N 0.000 119.046 119.070 -0.039 0.000 2.539 455 H HA 0.000 4.553 4.556 -0.005 0.000 0.296 455 H CA 0.000 56.036 56.048 -0.020 0.000 1.023 455 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 455 H HN 0.000 nan 8.280 nan 0.000 0.496