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 3i7b_1_A DATA FIRST_RESID 46 DATA SEQUENCE IFSDRYKGQR VLGKGSFGEV ILCKDKITGQ ECAVKVISKR QVKQKTDKES DATA SEQUENCE LLREVQLLKQ LDHPNIMKLY EFFEDKGYFY LVGEVYTGGE LFDEIISRKR DATA SEQUENCE FSEVDAARII RQVLSGITYM HKNKIVHRDL KPENLLLESK SKDANIRIID DATA SEQUENCE FGLSTHFEAS KKMKDKIGTA YYIAPEVLHG TYDEKCDVWS TGVILYILLS DATA SEQUENCE GCPPFNGANE YDILKKVEKG KYTFELPQWK KVSESAKDLI RKMLTYVPSM DATA SEQUENCE RISARDALDH EWIQTYTKEQ ISVDVPSLDN AILNIRQFQG TQKLAQAALL DATA SEQUENCE YMGSKLTSQD ETKELTAIFH KMDKNGDGQL DRAELIEGYK ELMRMKGQDA DATA SEQUENCE SMXXXSAVEH EVDQVLDAVD FDKNGYIEYS EFVTVAMDRK TLLSRERLER DATA SEQUENCE AFRMFDSDNS GKISSTELAT IFGVSDVDSE TWKSVLSEVD KNNDGEVDFD DATA SEQUENCE EFQQMLLKLC GN 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 46 I HA 0.000 nan 4.170 nan 0.000 0.288 46 I C 0.000 175.995 176.117 -0.204 0.000 1.063 46 I CA 0.000 61.349 61.300 0.082 0.000 1.566 46 I CB 0.000 38.006 38.000 0.010 0.000 1.214 47 F N 5.420 124.955 119.950 -0.691 0.000 2.065 47 F HA -0.267 4.260 4.527 0.001 0.000 0.298 47 F C 2.421 177.856 175.800 -0.607 0.000 1.112 47 F CA 2.721 60.006 58.000 -1.192 0.000 1.212 47 F CB 0.229 38.389 39.000 -1.399 0.000 0.975 47 F HN 0.618 nan 8.300 nan 0.000 0.476 48 S N -0.760 114.671 115.700 -0.448 0.000 2.474 48 S HA -0.168 4.302 4.470 0.001 0.000 0.235 48 S C 1.619 176.018 174.600 -0.335 0.000 0.997 48 S CA 1.200 59.174 58.200 -0.377 0.000 0.949 48 S CB -0.693 62.421 63.200 -0.143 0.000 0.766 48 S HN 0.446 nan 8.310 nan 0.000 0.517 49 D N 1.653 121.879 120.400 -0.290 0.000 2.178 49 D HA -0.019 4.621 4.640 0.001 0.000 0.202 49 D C 2.060 178.185 176.300 -0.292 0.000 0.974 49 D CA 1.003 54.871 54.000 -0.220 0.000 0.841 49 D CB -0.162 40.558 40.800 -0.133 0.000 0.953 49 D HN 0.548 nan 8.370 nan 0.000 0.478 50 R N -1.535 118.703 120.500 -0.437 0.000 2.167 50 R HA 0.058 4.399 4.340 0.001 0.000 0.201 50 R C -0.121 175.685 176.300 -0.824 0.000 1.024 50 R CA 0.282 56.030 56.100 -0.586 0.000 1.053 50 R CB 0.391 30.330 30.300 -0.603 0.000 0.987 50 R HN 0.032 nan 8.270 nan 0.000 0.493 51 Y N 0.992 120.887 120.300 -0.676 0.000 2.429 51 Y HA 0.323 4.874 4.550 0.001 0.000 0.342 51 Y C -0.768 174.804 175.900 -0.546 0.000 1.004 51 Y CA -1.048 56.665 58.100 -0.645 0.000 1.075 51 Y CB 1.682 39.576 38.460 -0.945 0.000 1.214 51 Y HN -0.094 nan 8.280 nan 0.000 0.455 52 K N 0.770 121.088 120.400 -0.136 0.000 2.270 52 K HA 0.780 5.100 4.320 0.001 0.000 0.255 52 K C -0.061 176.547 176.600 0.014 0.000 0.936 52 K CA -1.051 55.189 56.287 -0.078 0.000 0.809 52 K CB 1.823 34.281 32.500 -0.070 0.000 1.131 52 K HN 0.760 nan 8.250 nan 0.000 0.427 53 G N 2.003 110.835 108.800 0.054 0.000 2.398 53 G HA2 0.046 4.006 3.960 0.001 0.000 0.246 53 G HA3 0.046 4.006 3.960 0.001 0.000 0.246 53 G C -0.132 174.788 174.900 0.035 0.000 1.289 53 G CA -0.341 44.805 45.100 0.076 0.000 0.869 53 G HN 0.828 nan 8.290 nan 0.000 0.543 54 Q N 0.666 120.486 119.800 0.033 0.000 2.548 54 Q HA 0.157 4.497 4.340 0.001 0.000 0.230 54 Q C 0.895 176.899 176.000 0.007 0.000 0.899 54 Q CA 0.473 56.284 55.803 0.013 0.000 0.936 54 Q CB 0.586 29.332 28.738 0.014 0.000 1.114 54 Q HN 0.796 nan 8.270 nan 0.000 0.606 55 R N -1.023 119.487 120.500 0.016 0.000 2.692 55 R HA 0.493 4.833 4.340 0.001 0.000 0.269 55 R C -1.242 175.070 176.300 0.020 0.000 1.030 55 R CA -0.738 55.369 56.100 0.012 0.000 0.882 55 R CB 1.038 31.343 30.300 0.007 0.000 1.250 55 R HN -0.195 nan 8.270 nan 0.000 0.465 56 V N 3.260 123.185 119.914 0.018 0.000 2.555 56 V HA 0.091 4.211 4.120 0.001 0.000 0.286 56 V C 1.355 177.462 176.094 0.022 0.000 1.044 56 V CA -0.174 62.137 62.300 0.019 0.000 1.026 56 V CB 0.997 32.831 31.823 0.018 0.000 0.981 56 V HN 0.676 nan 8.190 nan 0.000 0.480 57 L N 3.626 124.862 121.223 0.023 0.000 2.168 57 L HA 0.462 4.802 4.340 0.001 0.000 0.203 57 L C 1.131 178.017 176.870 0.027 0.000 1.078 57 L CA 1.137 55.993 54.840 0.027 0.000 0.780 57 L CB -0.039 42.037 42.059 0.029 0.000 0.939 57 L HN 0.897 nan 8.230 nan 0.000 0.451 58 G N -0.486 108.327 108.800 0.022 0.000 2.343 58 G HA2 0.137 4.097 3.960 0.001 0.000 0.289 58 G HA3 0.137 4.097 3.960 0.001 0.000 0.289 58 G C -1.969 172.939 174.900 0.014 0.000 1.295 58 G CA -0.797 44.316 45.100 0.021 0.000 0.869 58 G HN -0.180 nan 8.290 nan 0.000 0.522 59 K N 0.089 120.496 120.400 0.011 0.000 2.211 59 K HA 0.704 5.025 4.320 0.001 0.000 0.275 59 K C 0.531 177.129 176.600 -0.004 0.000 1.024 59 K CA 0.430 56.718 56.287 0.002 0.000 0.887 59 K CB 0.913 33.414 32.500 0.001 0.000 1.084 59 K HN 1.073 nan 8.250 nan 0.000 0.463 60 G N 1.175 109.970 108.800 -0.008 0.000 3.013 60 G HA2 0.326 4.286 3.960 0.001 0.000 0.278 60 G HA3 0.326 4.286 3.960 0.001 0.000 0.278 60 G C -1.034 173.832 174.900 -0.057 0.000 1.353 60 G CA -0.873 44.219 45.100 -0.014 0.000 1.043 60 G HN 0.575 nan 8.290 nan 0.000 0.523 61 S N -0.238 115.405 115.700 -0.094 0.000 2.544 61 S HA 0.253 4.723 4.470 0.001 0.000 0.290 61 S C 0.126 174.609 174.600 -0.194 0.000 1.276 61 S CA 0.384 58.400 58.200 -0.307 0.000 1.075 61 S CB -0.255 62.723 63.200 -0.370 0.000 0.849 61 S HN 0.718 nan 8.310 nan 0.000 0.494 62 F N -0.231 119.693 119.950 -0.043 0.000 2.619 62 F HA -0.200 4.327 4.527 0.000 0.000 0.425 62 F C 0.892 176.628 175.800 -0.107 0.000 0.575 62 F CA 1.011 58.952 58.000 -0.100 0.000 1.289 62 F CB -1.779 37.099 39.000 -0.204 0.000 1.859 62 F HN 0.956 nan 8.300 nan 0.000 0.280 63 G N -0.445 108.384 108.800 0.049 0.000 2.316 63 G HA2 0.462 4.422 3.960 0.001 0.000 0.296 63 G HA3 0.462 4.422 3.960 0.001 0.000 0.296 63 G C -1.109 173.790 174.900 -0.002 0.000 1.399 63 G CA -0.496 44.613 45.100 0.015 0.000 0.833 63 G HN 0.474 nan 8.290 nan 0.000 0.565 64 E N -1.012 119.178 120.200 -0.016 0.000 2.373 64 E HA 0.537 4.887 4.350 0.001 0.000 0.263 64 E C -0.635 175.952 176.600 -0.021 0.000 1.073 64 E CA -0.713 55.678 56.400 -0.017 0.000 0.894 64 E CB 1.764 31.452 29.700 -0.021 0.000 1.008 64 E HN 0.320 nan 8.360 nan 0.000 0.420 65 V N 4.001 123.913 119.914 -0.004 0.000 2.384 65 V HA 0.297 4.418 4.120 0.001 0.000 0.287 65 V C -0.391 175.708 176.094 0.008 0.000 1.020 65 V CA -0.853 61.449 62.300 0.004 0.000 0.850 65 V CB 1.092 32.927 31.823 0.019 0.000 0.987 65 V HN 0.630 nan 8.190 nan 0.000 0.436 66 I N 5.161 125.738 120.570 0.011 0.000 2.474 66 I HA 0.390 4.561 4.170 0.001 0.000 0.294 66 I C -0.221 175.920 176.117 0.041 0.000 1.005 66 I CA -1.012 60.304 61.300 0.027 0.000 1.113 66 I CB 1.749 39.770 38.000 0.036 0.000 1.289 66 I HN 0.466 nan 8.210 nan 0.000 0.436 67 L N 7.609 128.856 121.223 0.039 0.000 2.361 67 L HA 0.333 4.674 4.340 0.001 0.000 0.278 67 L C 0.085 176.992 176.870 0.062 0.000 1.113 67 L CA 0.304 55.170 54.840 0.043 0.000 0.849 67 L CB 0.088 42.166 42.059 0.032 0.000 1.155 67 L HN 0.869 nan 8.230 nan 0.000 0.452 68 C N 3.082 122.431 119.300 0.081 0.000 2.848 68 C HA 0.843 5.303 4.460 0.001 0.000 0.317 68 C C -0.460 174.606 174.990 0.127 0.000 1.260 68 C CA -1.346 57.740 59.018 0.113 0.000 1.656 68 C CB 1.464 29.302 27.740 0.163 0.000 2.174 68 C HN 0.960 nan 8.230 nan 0.000 0.479 69 K N 0.898 121.378 120.400 0.132 0.000 2.443 69 K HA 0.306 4.626 4.320 0.001 0.000 0.252 69 K C -0.914 175.725 176.600 0.065 0.000 0.933 69 K CA -0.147 56.200 56.287 0.100 0.000 0.792 69 K CB 1.318 33.834 32.500 0.026 0.000 1.185 69 K HN 0.933 nan 8.250 nan 0.000 0.425 70 D N 3.674 124.081 120.400 0.011 0.000 2.472 70 D HA -0.024 4.616 4.640 0.001 0.000 0.248 70 D C 0.335 176.507 176.300 -0.213 0.000 1.174 70 D CA 0.614 54.449 54.000 -0.275 0.000 0.883 70 D CB 1.023 41.682 40.800 -0.235 0.000 1.149 70 D HN 0.563 nan 8.370 nan 0.000 0.488 71 K N 3.189 123.425 120.400 -0.273 0.000 2.209 71 K HA -0.084 4.236 4.320 0.001 0.000 0.204 71 K C 1.653 178.167 176.600 -0.144 0.000 1.048 71 K CA 0.839 57.014 56.287 -0.185 0.000 0.940 71 K CB 0.407 32.787 32.500 -0.200 0.000 0.729 71 K HN 0.560 nan 8.250 nan 0.000 0.451 72 I N -0.166 120.309 120.570 -0.158 0.000 2.681 72 I HA -0.149 4.021 4.170 0.001 0.000 0.247 72 I C 2.390 178.451 176.117 -0.092 0.000 1.091 72 I CA 1.115 62.346 61.300 -0.115 0.000 1.442 72 I CB -0.252 37.678 38.000 -0.116 0.000 1.219 72 I HN 0.133 nan 8.210 nan 0.000 0.451 73 T N -1.767 112.726 114.554 -0.101 0.000 3.081 73 T HA 0.200 4.551 4.350 0.001 0.000 0.255 73 T C 1.629 176.294 174.700 -0.058 0.000 1.113 73 T CA 0.582 62.638 62.100 -0.074 0.000 1.082 73 T CB 0.316 69.138 68.868 -0.076 0.000 0.939 73 T HN 0.559 nan 8.240 nan 0.000 0.506 74 G N 1.059 109.821 108.800 -0.063 0.000 2.168 74 G HA2 -0.317 3.643 3.960 0.001 0.000 0.263 74 G HA3 -0.317 3.643 3.960 0.001 0.000 0.263 74 G C -0.012 174.876 174.900 -0.020 0.000 0.977 74 G CA 0.350 45.426 45.100 -0.040 0.000 0.659 74 G HN 0.900 nan 8.290 nan 0.000 0.533 75 Q N 1.382 121.169 119.800 -0.023 0.000 2.289 75 Q HA 0.425 4.765 4.340 0.001 0.000 0.273 75 Q C 0.495 176.521 176.000 0.043 0.000 1.029 75 Q CA 0.331 56.132 55.803 -0.002 0.000 0.896 75 Q CB 0.254 28.973 28.738 -0.031 0.000 1.182 75 Q HN 0.574 nan 8.270 nan 0.000 0.385 76 E N 2.697 122.924 120.200 0.044 0.000 2.354 76 E HA 0.300 4.650 4.350 0.001 0.000 0.269 76 E C -0.770 175.883 176.600 0.088 0.000 1.036 76 E CA -0.284 56.154 56.400 0.063 0.000 0.876 76 E CB 0.809 30.534 29.700 0.041 0.000 1.009 76 E HN 0.642 nan 8.360 nan 0.000 0.416 77 C N 1.354 120.714 119.300 0.101 0.000 3.236 77 C HA 0.762 5.222 4.460 0.001 0.000 0.312 77 C C -0.439 174.583 174.990 0.053 0.000 1.374 77 C CA -0.727 58.357 59.018 0.110 0.000 1.455 77 C CB 1.541 29.360 27.740 0.131 0.000 1.834 77 C HN 0.820 nan 8.230 nan 0.000 0.460 78 A N 0.763 123.601 122.820 0.030 0.000 2.330 78 A HA 0.834 5.154 4.320 0.001 0.000 0.327 78 A C -1.117 176.480 177.584 0.022 0.000 1.155 78 A CA -0.276 51.769 52.037 0.014 0.000 0.803 78 A CB 0.772 19.761 19.000 -0.017 0.000 1.208 78 A HN 0.770 nan 8.150 nan 0.000 0.477 79 V N 2.381 122.310 119.914 0.025 0.000 2.540 79 V HA 0.419 4.540 4.120 0.001 0.000 0.302 79 V C 0.004 176.091 176.094 -0.012 0.000 1.035 79 V CA -0.709 61.597 62.300 0.011 0.000 0.873 79 V CB 1.763 33.588 31.823 0.003 0.000 0.992 79 V HN 0.919 nan 8.190 nan 0.000 0.428 80 K N 3.712 124.107 120.400 -0.008 0.000 2.240 80 K HA 0.629 4.949 4.320 0.001 0.000 0.271 80 K C -1.199 175.350 176.600 -0.086 0.000 1.018 80 K CA -0.427 55.846 56.287 -0.023 0.000 0.874 80 K CB 1.495 34.006 32.500 0.018 0.000 1.098 80 K HN 0.509 nan 8.250 nan 0.000 0.458 81 V N 6.927 126.755 119.914 -0.143 0.000 2.333 81 V HA 0.321 4.441 4.120 0.001 0.000 0.274 81 V C -0.024 175.984 176.094 -0.144 0.000 1.028 81 V CA -0.638 61.494 62.300 -0.280 0.000 0.851 81 V CB 0.824 32.416 31.823 -0.384 0.000 1.000 81 V HN 0.695 nan 8.190 nan 0.000 0.456 82 I N 3.888 124.393 120.570 -0.108 0.000 2.328 82 I HA 0.272 4.442 4.170 0.001 0.000 0.287 82 I C 0.635 176.776 176.117 0.041 0.000 1.012 82 I CA -0.097 61.182 61.300 -0.035 0.000 1.195 82 I CB 1.684 39.585 38.000 -0.164 0.000 1.350 82 I HN 0.589 nan 8.210 nan 0.000 0.464 83 S N 5.452 121.191 115.700 0.064 0.000 2.465 83 S HA 0.111 4.582 4.470 0.001 0.000 0.280 83 S C 1.133 175.657 174.600 -0.127 0.000 1.232 83 S CA -0.240 57.904 58.200 -0.092 0.000 1.066 83 S CB 0.389 63.572 63.200 -0.027 0.000 0.929 83 S HN 0.599 nan 8.310 nan 0.000 0.494 84 K N 3.737 123.978 120.400 -0.265 0.000 2.283 84 K HA -0.008 4.312 4.320 0.001 0.000 0.202 84 K C 2.212 178.758 176.600 -0.089 0.000 1.048 84 K CA 0.962 57.164 56.287 -0.141 0.000 0.948 84 K CB 0.074 32.404 32.500 -0.283 0.000 0.742 84 K HN 0.559 nan 8.250 nan 0.000 0.458 85 R N 0.499 120.907 120.500 -0.153 0.000 2.055 85 R HA -0.114 4.227 4.340 0.001 0.000 0.228 85 R C 2.475 178.758 176.300 -0.027 0.000 1.143 85 R CA 1.508 57.554 56.100 -0.090 0.000 0.945 85 R CB -0.185 30.044 30.300 -0.118 0.000 0.841 85 R HN 0.204 nan 8.270 nan 0.000 0.429 86 Q N 0.581 120.368 119.800 -0.023 0.000 2.119 86 Q HA -0.035 4.306 4.340 0.001 0.000 0.201 86 Q C -0.316 175.721 176.000 0.062 0.000 0.972 86 Q CA 0.863 56.677 55.803 0.019 0.000 0.847 86 Q CB 0.479 29.230 28.738 0.022 0.000 0.903 86 Q HN 0.073 nan 8.270 nan 0.000 0.433 87 V N 2.392 122.357 119.914 0.086 0.000 2.370 87 V HA 0.181 4.302 4.120 0.001 0.000 0.279 87 V C -0.289 175.928 176.094 0.206 0.000 1.029 87 V CA -0.718 61.681 62.300 0.164 0.000 0.870 87 V CB 1.299 33.221 31.823 0.165 0.000 0.984 87 V HN 0.135 nan 8.190 nan 0.000 0.451 88 K N 4.494 125.017 120.400 0.206 0.000 2.270 88 K HA 0.286 4.607 4.320 0.001 0.000 0.276 88 K C -0.058 176.686 176.600 0.239 0.000 1.023 88 K CA 0.156 56.553 56.287 0.183 0.000 0.955 88 K CB 0.660 33.236 32.500 0.127 0.000 0.975 88 K HN 0.700 nan 8.250 nan 0.000 0.471 89 Q N 2.944 122.851 119.800 0.179 0.000 2.235 89 Q HA 0.157 4.498 4.340 0.001 0.000 0.250 89 Q C 0.249 176.244 176.000 -0.008 0.000 0.909 89 Q CA -0.422 55.421 55.803 0.067 0.000 0.910 89 Q CB 1.599 30.380 28.738 0.071 0.000 1.223 89 Q HN 0.590 nan 8.270 nan 0.000 0.432 90 K N 0.358 120.698 120.400 -0.100 0.000 2.078 90 K HA 0.006 4.326 4.320 0.001 0.000 0.203 90 K C 1.071 177.618 176.600 -0.088 0.000 1.043 90 K CA 1.087 57.324 56.287 -0.085 0.000 0.960 90 K CB 0.292 32.718 32.500 -0.124 0.000 0.761 90 K HN 0.722 nan 8.250 nan 0.000 0.448 91 T N 0.366 114.851 114.554 -0.116 0.000 2.923 91 T HA 0.173 4.523 4.350 0.001 0.000 0.281 91 T C -0.237 174.438 174.700 -0.042 0.000 0.995 91 T CA -1.108 60.946 62.100 -0.077 0.000 0.985 91 T CB 1.260 70.087 68.868 -0.067 0.000 1.114 91 T HN 0.070 nan 8.240 nan 0.000 0.548 92 D N -0.351 120.032 120.400 -0.028 0.000 2.360 92 D HA 0.202 4.843 4.640 0.001 0.000 0.242 92 D C 0.913 177.198 176.300 -0.024 0.000 1.184 92 D CA -0.699 53.292 54.000 -0.014 0.000 0.930 92 D CB 0.706 41.499 40.800 -0.011 0.000 1.161 92 D HN 0.577 nan 8.370 nan 0.000 0.447 93 K N -0.001 120.396 120.400 -0.005 0.000 2.217 93 K HA -0.122 4.198 4.320 0.001 0.000 0.202 93 K C 1.624 178.193 176.600 -0.052 0.000 1.051 93 K CA 0.830 57.107 56.287 -0.016 0.000 0.952 93 K CB -0.075 32.464 32.500 0.066 0.000 0.736 93 K HN 0.417 nan 8.250 nan 0.000 0.453 94 E N 0.792 120.974 120.200 -0.031 0.000 2.065 94 E HA -0.222 4.128 4.350 0.001 0.000 0.201 94 E C 2.070 178.631 176.600 -0.065 0.000 1.016 94 E CA 1.783 58.160 56.400 -0.039 0.000 0.818 94 E CB -0.224 29.462 29.700 -0.023 0.000 0.749 94 E HN 0.114 nan 8.360 nan 0.000 0.453 95 S N -0.680 114.989 115.700 -0.051 0.000 2.368 95 S HA -0.096 4.375 4.470 0.001 0.000 0.224 95 S C 1.822 176.362 174.600 -0.099 0.000 1.029 95 S CA 0.842 59.030 58.200 -0.020 0.000 0.988 95 S CB -0.252 62.972 63.200 0.039 0.000 0.838 95 S HN 0.220 nan 8.310 nan 0.000 0.462 96 L N 1.902 122.971 121.223 -0.256 0.000 1.994 96 L HA 0.055 4.396 4.340 0.001 0.000 0.208 96 L C 2.132 178.646 176.870 -0.593 0.000 1.071 96 L CA 1.792 56.225 54.840 -0.679 0.000 0.745 96 L CB -0.847 40.845 42.059 -0.611 0.000 0.892 96 L HN 0.383 nan 8.230 nan 0.000 0.431 97 L N -0.816 120.158 121.223 -0.415 0.000 2.079 97 L HA -0.230 4.110 4.340 0.001 0.000 0.210 97 L C 2.802 179.499 176.870 -0.287 0.000 1.081 97 L CA 1.589 56.192 54.840 -0.394 0.000 0.752 97 L CB -0.503 41.432 42.059 -0.207 0.000 0.896 97 L HN 0.308 nan 8.230 nan 0.000 0.433 98 R N 0.239 120.619 120.500 -0.201 0.000 2.075 98 R HA -0.209 4.132 4.340 0.001 0.000 0.232 98 R C 2.262 178.482 176.300 -0.134 0.000 1.126 98 R CA 1.591 57.612 56.100 -0.130 0.000 0.963 98 R CB -0.044 30.208 30.300 -0.081 0.000 0.858 98 R HN 0.301 nan 8.270 nan 0.000 0.435 99 E N -0.519 119.580 120.200 -0.168 0.000 2.110 99 E HA -0.147 4.203 4.350 0.001 0.000 0.193 99 E C 1.745 178.247 176.600 -0.163 0.000 0.988 99 E CA 1.345 57.669 56.400 -0.126 0.000 0.804 99 E CB 0.128 29.788 29.700 -0.067 0.000 0.745 99 E HN 0.157 nan 8.360 nan 0.000 0.458 100 V N 0.834 120.578 119.914 -0.283 0.000 2.332 100 V HA -0.273 3.847 4.120 0.001 0.000 0.248 100 V C 2.480 178.491 176.094 -0.138 0.000 1.055 100 V CA 2.104 64.251 62.300 -0.255 0.000 1.038 100 V CB -0.592 30.933 31.823 -0.498 0.000 0.651 100 V HN 0.320 nan 8.190 nan 0.000 0.450 101 Q N -0.333 119.386 119.800 -0.135 0.000 2.124 101 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 101 Q C 1.940 177.920 176.000 -0.033 0.000 0.977 101 Q CA 1.737 57.501 55.803 -0.066 0.000 0.850 101 Q CB -0.489 28.211 28.738 -0.063 0.000 0.901 101 Q HN 0.546 nan 8.270 nan 0.000 0.429 102 L N -0.395 120.803 121.223 -0.042 0.000 2.017 102 L HA -0.096 4.244 4.340 0.001 0.000 0.208 102 L C 1.932 178.802 176.870 -0.000 0.000 1.073 102 L CA 1.678 56.505 54.840 -0.021 0.000 0.745 102 L CB -0.637 41.405 42.059 -0.029 0.000 0.894 102 L HN 0.359 nan 8.230 nan 0.000 0.432 103 L N -0.607 120.614 121.223 -0.005 0.000 2.079 103 L HA -0.270 4.070 4.340 0.001 0.000 0.210 103 L C 2.553 179.448 176.870 0.042 0.000 1.081 103 L CA 1.547 56.400 54.840 0.023 0.000 0.752 103 L CB -0.583 41.487 42.059 0.018 0.000 0.896 103 L HN 0.267 nan 8.230 nan 0.000 0.433 104 K N -0.332 120.090 120.400 0.037 0.000 2.209 104 K HA -0.197 4.123 4.320 0.001 0.000 0.204 104 K C 1.939 178.585 176.600 0.077 0.000 1.048 104 K CA 1.199 57.526 56.287 0.065 0.000 0.940 104 K CB -0.051 32.489 32.500 0.066 0.000 0.729 104 K HN 0.442 nan 8.250 nan 0.000 0.451 105 Q N 0.018 119.855 119.800 0.063 0.000 2.392 105 Q HA 0.136 4.477 4.340 0.001 0.000 0.203 105 Q C -0.092 175.968 176.000 0.100 0.000 0.917 105 Q CA 0.038 55.884 55.803 0.071 0.000 0.939 105 Q CB 0.386 29.154 28.738 0.049 0.000 1.063 105 Q HN 0.222 nan 8.270 nan 0.000 0.516 106 L N 1.107 122.402 121.223 0.120 0.000 2.325 106 L HA 0.359 4.699 4.340 0.001 0.000 0.279 106 L C -0.908 176.080 176.870 0.197 0.000 1.054 106 L CA -0.431 54.541 54.840 0.219 0.000 0.804 106 L CB 1.373 43.571 42.059 0.232 0.000 1.200 106 L HN -0.015 nan 8.230 nan 0.000 0.436 107 D N 0.531 121.045 120.400 0.189 0.000 2.936 107 D HA 0.470 5.111 4.640 0.001 0.000 0.238 107 D C -1.106 175.054 176.300 -0.233 0.000 1.248 107 D CA -0.438 53.573 54.000 0.018 0.000 0.903 107 D CB 1.608 42.420 40.800 0.020 0.000 1.544 107 D HN 0.356 nan 8.370 nan 0.000 0.543 108 H N 1.973 120.842 119.070 -0.335 0.000 3.029 108 H HA 0.222 4.778 4.556 0.000 0.000 0.358 108 H C -2.357 172.843 175.328 -0.212 0.000 1.129 108 H CA -1.770 54.003 56.048 -0.459 0.000 1.230 108 H CB 2.728 32.039 29.762 -0.753 0.000 1.827 108 H HN 0.170 nan 8.280 nan 0.000 0.530 109 P HA 0.001 nan 4.420 nan 0.000 0.230 109 P C -0.032 177.261 177.300 -0.012 0.000 1.158 109 P CA 0.820 63.832 63.100 -0.147 0.000 0.769 109 P CB 0.371 31.945 31.700 -0.210 0.000 0.807 110 N N -0.821 118.008 118.700 0.214 0.000 2.214 110 N HA 0.138 4.878 4.740 0.001 0.000 0.214 110 N C -0.182 175.382 175.510 0.091 0.000 1.132 110 N CA -0.212 52.923 53.050 0.142 0.000 0.856 110 N CB 0.441 39.036 38.487 0.180 0.000 1.020 110 N HN 0.023 nan 8.380 nan 0.000 0.509 111 I N 1.300 121.928 120.570 0.098 0.000 2.465 111 I HA 0.237 4.407 4.170 0.001 0.000 0.291 111 I C 0.070 176.249 176.117 0.104 0.000 1.014 111 I CA -0.840 60.509 61.300 0.082 0.000 1.093 111 I CB 1.486 39.505 38.000 0.033 0.000 1.267 111 I HN 0.145 nan 8.210 nan 0.000 0.431 112 M N 5.035 124.733 119.600 0.163 0.000 2.260 112 M HA -0.014 4.466 4.480 0.001 0.000 0.348 112 M C 0.025 176.413 176.300 0.147 0.000 1.342 112 M CA 0.186 55.648 55.300 0.269 0.000 1.040 112 M CB 0.333 33.120 32.600 0.312 0.000 1.810 112 M HN 0.452 nan 8.290 nan 0.000 0.453 113 K N 4.844 125.301 120.400 0.095 0.000 2.297 113 K HA 0.328 4.648 4.320 0.001 0.000 0.286 113 K C -1.468 174.942 176.600 -0.318 0.000 1.053 113 K CA -0.359 55.858 56.287 -0.115 0.000 0.940 113 K CB 0.643 33.037 32.500 -0.175 0.000 1.019 113 K HN 0.661 nan 8.250 nan 0.000 0.475 114 L N 5.904 127.009 121.223 -0.197 0.000 2.289 114 L HA 0.315 4.656 4.340 0.001 0.000 0.285 114 L C -0.491 176.301 176.870 -0.130 0.000 1.049 114 L CA 0.175 54.924 54.840 -0.152 0.000 0.804 114 L CB 0.776 42.838 42.059 0.004 0.000 1.195 114 L HN 0.762 nan 8.230 nan 0.000 0.428 115 Y N 1.664 122.032 120.300 0.114 0.000 2.422 115 Y HA 0.395 4.946 4.550 0.001 0.000 0.291 115 Y C 0.536 176.517 175.900 0.135 0.000 1.144 115 Y CA -0.257 57.917 58.100 0.123 0.000 1.208 115 Y CB 0.310 38.854 38.460 0.140 0.000 1.195 115 Y HN 0.525 nan 8.280 nan 0.000 0.535 116 E N -1.207 119.189 120.200 0.327 0.000 2.433 116 E HA 0.372 4.722 4.350 0.001 0.000 0.278 116 E C -2.031 174.731 176.600 0.269 0.000 0.976 116 E CA -0.939 55.610 56.400 0.249 0.000 0.793 116 E CB 2.974 32.866 29.700 0.319 0.000 1.311 116 E HN -0.118 nan 8.360 nan 0.000 0.460 117 F N 1.698 121.601 119.950 -0.077 0.000 2.561 117 F HA 0.616 5.143 4.527 0.001 0.000 0.313 117 F C -1.962 173.716 175.800 -0.202 0.000 1.126 117 F CA -0.471 57.530 58.000 0.001 0.000 0.918 117 F CB 0.891 39.891 39.000 0.000 0.000 1.199 117 F HN 0.380 nan 8.300 nan 0.000 0.444 118 F N 3.194 122.886 119.950 -0.431 0.000 2.620 118 F HA 0.595 5.123 4.527 0.001 0.000 0.320 118 F C -0.618 174.947 175.800 -0.392 0.000 1.069 118 F CA -0.810 57.030 58.000 -0.268 0.000 0.953 118 F CB 2.238 41.260 39.000 0.037 0.000 1.322 118 F HN 0.491 nan 8.300 nan 0.000 0.479 119 E N 1.076 121.342 120.200 0.109 0.000 2.343 119 E HA 0.385 4.736 4.350 0.001 0.000 0.278 119 E C -2.149 174.558 176.600 0.179 0.000 0.910 119 E CA -0.706 55.756 56.400 0.104 0.000 0.757 119 E CB 2.335 32.094 29.700 0.097 0.000 1.218 119 E HN 0.685 nan 8.360 nan 0.000 0.435 120 D N 2.119 122.610 120.400 0.151 0.000 2.758 120 D HA 0.173 4.814 4.640 0.001 0.000 0.279 120 D C 0.705 176.998 176.300 -0.012 0.000 1.111 120 D CA -0.690 53.383 54.000 0.120 0.000 1.109 120 D CB 0.576 41.509 40.800 0.221 0.000 1.428 120 D HN 0.405 nan 8.370 nan 0.000 0.586 121 K N -1.009 119.389 120.400 -0.003 0.000 2.160 121 K HA -0.077 4.243 4.320 0.001 0.000 0.206 121 K C 1.581 178.078 176.600 -0.172 0.000 1.047 121 K CA 1.894 58.142 56.287 -0.065 0.000 0.930 121 K CB -0.550 31.932 32.500 -0.030 0.000 0.720 121 K HN 0.540 nan 8.250 nan 0.000 0.450 122 G N -1.556 107.117 108.800 -0.211 0.000 2.833 122 G HA2 0.108 4.068 3.960 0.001 0.000 0.210 122 G HA3 0.108 4.068 3.960 0.001 0.000 0.210 122 G C -0.371 173.976 174.900 -0.923 0.000 1.139 122 G CA -0.050 44.717 45.100 -0.555 0.000 0.771 122 G HN 0.160 nan 8.290 nan 0.000 0.535 123 Y N -1.449 118.646 120.300 -0.342 0.000 2.588 123 Y HA 0.638 5.189 4.550 0.001 0.000 0.343 123 Y C -1.089 174.400 175.900 -0.686 0.000 1.065 123 Y CA -1.584 56.195 58.100 -0.536 0.000 1.038 123 Y CB 1.520 39.550 38.460 -0.716 0.000 1.297 123 Y HN -0.114 nan 8.280 nan 0.000 0.467 124 F N 1.085 120.902 119.950 -0.221 0.000 2.450 124 F HA 0.534 5.062 4.527 0.001 0.000 0.332 124 F C -0.978 174.545 175.800 -0.462 0.000 1.093 124 F CA -1.273 56.593 58.000 -0.222 0.000 1.003 124 F CB 0.956 39.969 39.000 0.021 0.000 1.151 124 F HN 0.263 nan 8.300 nan 0.000 0.474 125 Y N 3.389 123.671 120.300 -0.030 0.000 2.338 125 Y HA 0.521 5.071 4.550 0.001 0.000 0.328 125 Y C -0.649 175.260 175.900 0.016 0.000 0.965 125 Y CA -0.789 57.224 58.100 -0.147 0.000 1.208 125 Y CB 1.049 39.249 38.460 -0.434 0.000 1.132 125 Y HN 0.298 nan 8.280 nan 0.000 0.469 126 L N 4.995 126.317 121.223 0.165 0.000 2.257 126 L HA 0.552 4.893 4.340 0.001 0.000 0.290 126 L C -0.647 176.320 176.870 0.161 0.000 1.044 126 L CA -0.917 54.053 54.840 0.216 0.000 0.810 126 L CB 0.906 43.071 42.059 0.177 0.000 1.193 126 L HN 0.353 nan 8.230 nan 0.000 0.425 127 V N 2.733 122.773 119.914 0.210 0.000 2.398 127 V HA 0.853 4.973 4.120 0.001 0.000 0.286 127 V C 0.533 176.722 176.094 0.158 0.000 1.026 127 V CA -0.295 62.099 62.300 0.157 0.000 0.868 127 V CB 1.256 33.168 31.823 0.148 0.000 0.982 127 V HN 0.914 nan 8.190 nan 0.000 0.443 128 G N 2.877 111.731 108.800 0.090 0.000 2.721 128 G HA2 0.533 4.493 3.960 0.001 0.000 0.296 128 G HA3 0.533 4.493 3.960 0.001 0.000 0.296 128 G C -1.240 173.611 174.900 -0.082 0.000 1.383 128 G CA -0.620 44.414 45.100 -0.110 0.000 0.788 128 G HN 0.623 nan 8.290 nan 0.000 0.500 129 E N -0.585 119.411 120.200 -0.341 0.000 2.360 129 E HA 0.344 4.694 4.350 0.001 0.000 0.269 129 E C -0.376 175.894 176.600 -0.550 0.000 1.022 129 E CA -0.339 55.906 56.400 -0.258 0.000 0.887 129 E CB 1.443 30.953 29.700 -0.315 0.000 0.990 129 E HN 0.315 nan 8.360 nan 0.000 0.426 130 V N 5.740 125.409 119.914 -0.408 0.000 2.509 130 V HA 0.284 4.405 4.120 0.001 0.000 0.284 130 V C -1.389 174.382 176.094 -0.538 0.000 1.047 130 V CA -0.251 61.825 62.300 -0.373 0.000 0.952 130 V CB 0.436 32.195 31.823 -0.106 0.000 0.988 130 V HN 0.564 nan 8.190 nan 0.000 0.469 131 Y N 3.192 123.528 120.300 0.061 0.000 2.409 131 Y HA 0.491 5.042 4.550 0.001 0.000 0.343 131 Y C 1.065 176.993 175.900 0.048 0.000 0.973 131 Y CA -0.598 57.535 58.100 0.054 0.000 1.064 131 Y CB 2.184 40.674 38.460 0.051 0.000 1.207 131 Y HN 0.680 nan 8.280 nan 0.000 0.452 132 T N -3.475 111.196 114.554 0.195 0.000 3.044 132 T HA 0.192 4.542 4.350 0.001 0.000 0.260 132 T C 1.497 176.258 174.700 0.101 0.000 1.019 132 T CA 0.398 62.568 62.100 0.116 0.000 0.921 132 T CB 0.069 68.989 68.868 0.087 0.000 1.053 132 T HN 0.802 nan 8.240 nan 0.000 0.533 133 G N 0.886 109.755 108.800 0.114 0.000 2.813 133 G HA2 0.478 4.438 3.960 0.001 0.000 0.209 133 G HA3 0.478 4.438 3.960 0.001 0.000 0.209 133 G C 1.007 175.950 174.900 0.071 0.000 1.150 133 G CA 0.055 45.204 45.100 0.081 0.000 0.785 133 G HN 1.027 nan 8.290 nan 0.000 0.535 134 G N -0.061 108.787 108.800 0.080 0.000 2.741 134 G HA2 -0.205 3.755 3.960 0.001 0.000 0.222 134 G HA3 -0.205 3.755 3.960 0.001 0.000 0.222 134 G C -0.376 174.560 174.900 0.061 0.000 1.364 134 G CA -0.357 44.782 45.100 0.066 0.000 0.866 134 G HN 0.469 nan 8.290 nan 0.000 0.555 135 E N -0.288 119.942 120.200 0.051 0.000 2.354 135 E HA 0.358 4.709 4.350 0.001 0.000 0.269 135 E C 1.506 178.151 176.600 0.075 0.000 1.036 135 E CA -0.342 56.083 56.400 0.041 0.000 0.876 135 E CB 1.472 31.182 29.700 0.016 0.000 1.009 135 E HN 0.577 nan 8.360 nan 0.000 0.416 136 L N 3.421 124.696 121.223 0.086 0.000 1.990 136 L HA -0.232 4.108 4.340 0.001 0.000 0.213 136 L C 1.578 178.607 176.870 0.264 0.000 1.072 136 L CA 1.924 56.862 54.840 0.163 0.000 0.755 136 L CB -0.337 41.838 42.059 0.193 0.000 0.889 136 L HN 0.592 nan 8.230 nan 0.000 0.432 137 F N 0.247 120.190 119.950 -0.012 0.000 2.216 137 F HA -0.152 4.376 4.527 0.001 0.000 0.300 137 F C 2.323 178.101 175.800 -0.037 0.000 1.085 137 F CA 1.131 59.114 58.000 -0.028 0.000 1.326 137 F CB -1.018 37.982 39.000 -0.000 0.000 1.027 137 F HN 0.249 nan 8.300 nan 0.000 0.497 138 D N -0.346 120.150 120.400 0.161 0.000 2.264 138 D HA -0.135 4.506 4.640 0.001 0.000 0.208 138 D C 2.289 178.614 176.300 0.041 0.000 0.966 138 D CA 0.662 54.706 54.000 0.074 0.000 0.864 138 D CB -0.131 40.704 40.800 0.059 0.000 0.933 138 D HN 0.301 nan 8.370 nan 0.000 0.499 139 E N 0.729 120.959 120.200 0.050 0.000 2.086 139 E HA -0.041 4.309 4.350 0.001 0.000 0.190 139 E C 2.302 178.894 176.600 -0.013 0.000 0.975 139 E CA 0.150 56.567 56.400 0.028 0.000 0.813 139 E CB 0.019 29.748 29.700 0.049 0.000 0.768 139 E HN 0.265 nan 8.360 nan 0.000 0.457 140 I N 2.142 122.681 120.570 -0.052 0.000 2.208 140 I HA -0.288 3.882 4.170 0.001 0.000 0.245 140 I C 2.673 178.660 176.117 -0.217 0.000 1.097 140 I CA 1.232 62.414 61.300 -0.197 0.000 1.363 140 I CB -0.512 37.237 38.000 -0.419 0.000 1.051 140 I HN 0.202 nan 8.210 nan 0.000 0.413 141 I N -1.981 118.489 120.570 -0.168 0.000 2.530 141 I HA -0.204 3.967 4.170 0.001 0.000 0.257 141 I C 2.128 178.187 176.117 -0.096 0.000 1.179 141 I CA 1.432 62.647 61.300 -0.142 0.000 1.440 141 I CB -0.463 37.482 38.000 -0.091 0.000 1.087 141 I HN -0.003 nan 8.210 nan 0.000 0.440 142 S N 0.350 116.011 115.700 -0.065 0.000 2.558 142 S HA 0.187 4.658 4.470 0.001 0.000 0.217 142 S C 0.836 175.416 174.600 -0.033 0.000 0.975 142 S CA -0.194 57.982 58.200 -0.041 0.000 0.912 142 S CB -0.198 62.989 63.200 -0.020 0.000 0.776 142 S HN 0.418 nan 8.310 nan 0.000 0.526 143 R N 1.508 121.984 120.500 -0.041 0.000 2.594 143 R HA 0.217 4.558 4.340 0.001 0.000 0.272 143 R C 0.889 177.182 176.300 -0.012 0.000 1.074 143 R CA 0.087 56.183 56.100 -0.007 0.000 1.105 143 R CB 0.497 30.814 30.300 0.030 0.000 1.008 143 R HN 0.173 nan 8.270 nan 0.000 0.472 144 K N 1.904 122.308 120.400 0.006 0.000 2.242 144 K HA -0.011 4.309 4.320 0.001 0.000 0.200 144 K C 0.588 177.200 176.600 0.019 0.000 1.050 144 K CA 0.781 57.069 56.287 0.000 0.000 0.981 144 K CB 0.320 32.818 32.500 -0.002 0.000 0.795 144 K HN 0.526 nan 8.250 nan 0.000 0.477 145 R N -0.204 120.325 120.500 0.047 0.000 2.670 145 R HA 0.480 4.820 4.340 0.001 0.000 0.289 145 R C -1.439 174.962 176.300 0.167 0.000 0.965 145 R CA -0.675 55.467 56.100 0.069 0.000 0.899 145 R CB 1.127 31.447 30.300 0.033 0.000 1.173 145 R HN -0.160 nan 8.270 nan 0.000 0.456 146 F N 1.868 121.792 119.950 -0.045 0.000 2.630 146 F HA 0.348 4.875 4.527 0.001 0.000 0.325 146 F C -1.129 174.648 175.800 -0.038 0.000 1.184 146 F CA -0.134 57.839 58.000 -0.045 0.000 1.011 146 F CB 2.143 41.100 39.000 -0.071 0.000 1.268 146 F HN 0.901 nan 8.300 nan 0.000 0.480 147 S N 3.236 118.656 115.700 -0.466 0.000 2.759 147 S HA 0.482 4.952 4.470 0.001 0.000 0.310 147 S C 0.685 175.061 174.600 -0.373 0.000 1.123 147 S CA -0.617 57.410 58.200 -0.287 0.000 0.959 147 S CB 1.761 64.873 63.200 -0.148 0.000 1.172 147 S HN 0.711 nan 8.310 nan 0.000 0.539 148 E N -0.053 120.078 120.200 -0.115 0.000 2.110 148 E HA -0.100 4.251 4.350 0.001 0.000 0.193 148 E C 1.931 178.495 176.600 -0.060 0.000 0.988 148 E CA 1.188 57.582 56.400 -0.008 0.000 0.804 148 E CB -0.405 29.337 29.700 0.070 0.000 0.745 148 E HN 0.453 nan 8.360 nan 0.000 0.458 149 V N 2.162 122.065 119.914 -0.017 0.000 2.287 149 V HA -0.276 3.845 4.120 0.001 0.000 0.248 149 V C 1.804 177.786 176.094 -0.187 0.000 1.053 149 V CA 2.031 64.289 62.300 -0.070 0.000 1.027 149 V CB -0.456 31.327 31.823 -0.066 0.000 0.646 149 V HN 0.224 nan 8.190 nan 0.000 0.447 150 D N 0.447 120.666 120.400 -0.300 0.000 2.117 150 D HA -0.148 4.492 4.640 0.001 0.000 0.197 150 D C 2.235 178.369 176.300 -0.277 0.000 0.987 150 D CA 1.726 55.514 54.000 -0.353 0.000 0.829 150 D CB -0.334 40.075 40.800 -0.653 0.000 0.961 150 D HN 0.463 nan 8.370 nan 0.000 0.460 151 A N 1.212 123.810 122.820 -0.369 0.000 1.902 151 A HA -0.045 4.276 4.320 0.001 0.000 0.217 151 A C 2.344 180.017 177.584 0.149 0.000 1.181 151 A CA 2.199 54.264 52.037 0.047 0.000 0.623 151 A CB -0.634 18.464 19.000 0.163 0.000 0.818 151 A HN 0.247 nan 8.150 nan 0.000 0.443 152 A N -0.261 122.510 122.820 -0.081 0.000 1.898 152 A HA -0.140 4.180 4.320 0.001 0.000 0.216 152 A C 2.245 179.743 177.584 -0.144 0.000 1.181 152 A CA 1.413 53.215 52.037 -0.391 0.000 0.620 152 A CB -0.450 17.958 19.000 -0.986 0.000 0.819 152 A HN 0.539 nan 8.150 nan 0.000 0.442 153 R N -0.650 119.789 120.500 -0.102 0.000 2.081 153 R HA -0.064 4.277 4.340 0.001 0.000 0.235 153 R C 1.991 178.307 176.300 0.026 0.000 1.131 153 R CA 1.557 57.633 56.100 -0.041 0.000 0.960 153 R CB -0.515 29.761 30.300 -0.039 0.000 0.856 153 R HN 0.572 nan 8.270 nan 0.000 0.436 154 I N 0.649 121.261 120.570 0.071 0.000 2.142 154 I HA -0.287 3.883 4.170 0.001 0.000 0.240 154 I C 2.162 178.357 176.117 0.130 0.000 1.078 154 I CA 1.113 62.487 61.300 0.123 0.000 1.343 154 I CB -0.200 37.919 38.000 0.198 0.000 1.046 154 I HN 0.098 nan 8.210 nan 0.000 0.405 155 I N 0.479 121.147 120.570 0.164 0.000 2.394 155 I HA -0.232 3.938 4.170 0.001 0.000 0.251 155 I C 2.583 178.785 176.117 0.141 0.000 1.136 155 I CA 1.310 62.719 61.300 0.182 0.000 1.425 155 I CB -1.246 36.924 38.000 0.283 0.000 1.079 155 I HN 0.311 nan 8.210 nan 0.000 0.425 156 R N 0.889 121.451 120.500 0.104 0.000 2.096 156 R HA -0.184 4.156 4.340 0.001 0.000 0.235 156 R C 2.207 178.555 176.300 0.079 0.000 1.127 156 R CA 1.356 57.504 56.100 0.080 0.000 0.968 156 R CB 0.021 30.343 30.300 0.036 0.000 0.861 156 R HN 0.435 nan 8.270 nan 0.000 0.440 157 Q N -0.368 119.477 119.800 0.074 0.000 2.046 157 Q HA -0.120 4.220 4.340 0.001 0.000 0.200 157 Q C 2.183 178.232 176.000 0.080 0.000 0.975 157 Q CA 1.740 57.589 55.803 0.078 0.000 0.836 157 Q CB 0.064 28.839 28.738 0.062 0.000 0.896 157 Q HN 0.201 nan 8.270 nan 0.000 0.428 158 V N 1.291 121.253 119.914 0.080 0.000 2.295 158 V HA -0.273 3.848 4.120 0.001 0.000 0.246 158 V C 2.229 178.359 176.094 0.061 0.000 1.049 158 V CA 1.613 63.957 62.300 0.074 0.000 1.024 158 V CB -0.565 31.306 31.823 0.080 0.000 0.648 158 V HN 0.352 nan 8.190 nan 0.000 0.447 159 L N -0.137 121.128 121.223 0.070 0.000 2.131 159 L HA -0.171 4.170 4.340 0.001 0.000 0.210 159 L C 2.716 179.599 176.870 0.023 0.000 1.092 159 L CA 1.727 56.600 54.840 0.055 0.000 0.759 159 L CB -0.562 41.550 42.059 0.088 0.000 0.903 159 L HN 0.397 nan 8.230 nan 0.000 0.435 160 S N -0.052 115.675 115.700 0.045 0.000 2.355 160 S HA -0.128 4.342 4.470 0.001 0.000 0.222 160 S C 2.032 176.525 174.600 -0.178 0.000 1.031 160 S CA 1.401 59.634 58.200 0.055 0.000 0.993 160 S CB -0.395 62.914 63.200 0.182 0.000 0.859 160 S HN 0.515 nan 8.310 nan 0.000 0.453 161 G N 1.508 110.164 108.800 -0.241 0.000 2.421 161 G HA2 -0.135 3.825 3.960 0.001 0.000 0.216 161 G HA3 -0.135 3.825 3.960 0.001 0.000 0.216 161 G C 1.423 176.111 174.900 -0.354 0.000 1.171 161 G CA 0.989 45.793 45.100 -0.494 0.000 0.775 161 G HN 0.570 nan 8.290 nan 0.000 0.543 162 I N 0.699 121.168 120.570 -0.168 0.000 2.226 162 I HA -0.160 4.011 4.170 0.001 0.000 0.245 162 I C 2.976 178.843 176.117 -0.416 0.000 1.100 162 I CA 1.380 62.552 61.300 -0.213 0.000 1.374 162 I CB -0.440 37.493 38.000 -0.111 0.000 1.057 162 I HN 0.097 nan 8.210 nan 0.000 0.413 163 T N -0.114 114.311 114.554 -0.216 0.000 2.746 163 T HA -0.256 4.094 4.350 0.001 0.000 0.267 163 T C 1.776 176.446 174.700 -0.050 0.000 1.039 163 T CA 1.573 63.618 62.100 -0.093 0.000 1.142 163 T CB -0.412 68.462 68.868 0.009 0.000 0.866 163 T HN 0.372 nan 8.240 nan 0.000 0.444 164 Y N 1.315 121.476 120.300 -0.232 0.000 2.200 164 Y HA -0.122 4.429 4.550 0.000 0.000 0.290 164 Y C 2.228 178.012 175.900 -0.192 0.000 1.137 164 Y CA 1.236 59.221 58.100 -0.192 0.000 1.163 164 Y CB -0.248 38.030 38.460 -0.302 0.000 0.988 164 Y HN 0.042 nan 8.280 nan 0.000 0.518 165 M N -0.555 118.865 119.600 -0.299 0.000 2.132 165 M HA -0.197 4.284 4.480 0.001 0.000 0.263 165 M C 2.092 178.335 176.300 -0.095 0.000 1.065 165 M CA 1.733 56.804 55.300 -0.382 0.000 1.122 165 M CB -1.665 30.383 32.600 -0.920 0.000 1.365 165 M HN 0.481 nan 8.290 nan 0.000 0.411 166 H N -0.138 118.870 119.070 -0.103 0.000 2.387 166 H HA -0.113 4.443 4.556 0.000 0.000 0.299 166 H C 2.082 177.374 175.328 -0.060 0.000 1.090 166 H CA 0.904 56.944 56.048 -0.012 0.000 1.332 166 H CB 0.095 29.886 29.762 0.048 0.000 1.386 166 H HN 0.376 nan 8.280 nan 0.000 0.516 167 K N 0.713 121.121 120.400 0.014 0.000 2.152 167 K HA -0.143 4.177 4.320 0.001 0.000 0.206 167 K C 0.965 177.499 176.600 -0.110 0.000 1.048 167 K CA 1.499 57.748 56.287 -0.062 0.000 0.933 167 K CB -0.052 32.375 32.500 -0.122 0.000 0.721 167 K HN 0.346 nan 8.250 nan 0.000 0.447 168 N N 0.310 118.908 118.700 -0.170 0.000 2.276 168 N HA 0.057 4.797 4.740 0.001 0.000 0.212 168 N C -0.917 174.552 175.510 -0.069 0.000 1.127 168 N CA -0.008 52.952 53.050 -0.150 0.000 0.834 168 N CB 0.493 38.835 38.487 -0.241 0.000 1.014 168 N HN 0.021 nan 8.380 nan 0.000 0.491 169 K N 0.048 120.430 120.400 -0.029 0.000 3.129 169 K HA -0.185 4.136 4.320 0.001 0.000 0.273 169 K C -0.792 175.825 176.600 0.028 0.000 1.123 169 K CA 0.619 56.901 56.287 -0.009 0.000 0.800 169 K CB -1.820 30.664 32.500 -0.027 0.000 1.238 169 K HN 0.357 nan 8.250 nan 0.000 0.492 170 I N 1.277 121.896 120.570 0.082 0.000 2.354 170 I HA 0.274 4.444 4.170 0.001 0.000 0.292 170 I C 0.424 176.781 176.117 0.400 0.000 0.989 170 I CA -1.207 60.202 61.300 0.181 0.000 1.188 170 I CB 1.542 39.627 38.000 0.141 0.000 1.342 170 I HN -0.208 nan 8.210 nan 0.000 0.457 171 V N 5.017 125.139 119.914 0.346 0.000 2.667 171 V HA 0.253 4.373 4.120 0.001 0.000 0.308 171 V C 0.681 176.908 176.094 0.223 0.000 1.048 171 V CA -0.530 61.989 62.300 0.365 0.000 0.928 171 V CB 2.026 33.956 31.823 0.179 0.000 1.004 171 V HN 0.720 nan 8.190 nan 0.000 0.444 172 H N 2.883 121.858 119.070 -0.158 0.000 2.337 172 H HA 0.161 4.717 4.556 0.001 0.000 0.311 172 H C 1.933 177.154 175.328 -0.179 0.000 1.054 172 H CA 1.628 57.374 56.048 -0.502 0.000 1.385 172 H CB 0.440 29.581 29.762 -1.034 0.000 1.437 172 H HN 0.718 nan 8.280 nan 0.000 0.553 173 R N -0.647 119.908 120.500 0.091 0.000 3.733 173 R HA -0.144 4.197 4.340 0.001 0.000 0.375 173 R C -0.556 175.753 176.300 0.015 0.000 0.588 173 R CA 1.766 57.859 56.100 -0.011 0.000 1.567 173 R CB -1.478 28.758 30.300 -0.106 0.000 1.933 173 R HN 0.367 nan 8.270 nan 0.000 0.396 174 D N 1.062 121.587 120.400 0.208 0.000 2.755 174 D HA 0.148 4.788 4.640 0.001 0.000 0.257 174 D C -0.291 175.942 176.300 -0.113 0.000 1.291 174 D CA -0.247 53.819 54.000 0.111 0.000 0.836 174 D CB 0.194 41.093 40.800 0.166 0.000 1.059 174 D HN 0.067 nan 8.370 nan 0.000 0.486 175 L N 2.290 123.286 121.223 -0.378 0.000 2.462 175 L HA 0.093 4.433 4.340 0.001 0.000 0.272 175 L C 0.338 176.984 176.870 -0.373 0.000 1.166 175 L CA 0.712 55.180 54.840 -0.621 0.000 0.880 175 L CB -0.007 41.761 42.059 -0.485 0.000 1.142 175 L HN 0.057 nan 8.230 nan 0.000 0.473 176 K N 2.964 123.086 120.400 -0.463 0.000 2.607 176 K HA 0.465 4.785 4.320 0.001 0.000 0.287 176 K C -2.799 173.435 176.600 -0.610 0.000 0.996 176 K CA -1.570 54.286 56.287 -0.718 0.000 0.876 176 K CB 0.776 32.877 32.500 -0.665 0.000 1.496 176 K HN 0.031 nan 8.250 nan 0.000 0.415 177 P HA -0.194 nan 4.420 nan 0.000 0.216 177 P C 0.783 177.817 177.300 -0.444 0.000 1.153 177 P CA 1.439 64.087 63.100 -0.754 0.000 0.858 177 P CB 0.149 31.039 31.700 -1.349 0.000 0.789 178 E N -1.019 118.975 120.200 -0.343 0.000 2.219 178 E HA -0.180 4.170 4.350 0.001 0.000 0.198 178 E C 1.028 177.559 176.600 -0.115 0.000 0.998 178 E CA 0.753 57.046 56.400 -0.178 0.000 0.818 178 E CB -0.417 29.207 29.700 -0.127 0.000 0.741 178 E HN 0.284 nan 8.360 nan 0.000 0.477 179 N N 0.096 118.710 118.700 -0.143 0.000 2.383 179 N HA 0.044 4.784 4.740 0.001 0.000 0.192 179 N C -0.329 175.157 175.510 -0.039 0.000 1.141 179 N CA 0.347 53.363 53.050 -0.056 0.000 0.851 179 N CB 0.413 38.860 38.487 -0.066 0.000 0.976 179 N HN 0.105 nan 8.380 nan 0.000 0.465 180 L N 1.704 122.879 121.223 -0.079 0.000 2.297 180 L HA 0.415 4.756 4.340 0.001 0.000 0.277 180 L C -0.192 176.671 176.870 -0.011 0.000 1.040 180 L CA -0.291 54.525 54.840 -0.039 0.000 0.867 180 L CB 0.878 42.906 42.059 -0.052 0.000 1.244 180 L HN -0.222 nan 8.230 nan 0.000 0.433 181 L N 3.644 124.870 121.223 0.004 0.000 2.360 181 L HA 0.561 4.901 4.340 0.001 0.000 0.271 181 L C -0.142 176.716 176.870 -0.020 0.000 1.057 181 L CA -0.701 54.151 54.840 0.021 0.000 0.803 181 L CB 1.831 43.941 42.059 0.084 0.000 1.207 181 L HN 0.438 nan 8.230 nan 0.000 0.445 182 L N 1.164 122.396 121.223 0.016 0.000 2.334 182 L HA 0.285 4.626 4.340 0.001 0.000 0.275 182 L C 1.092 177.973 176.870 0.018 0.000 1.036 182 L CA -0.414 54.428 54.840 0.003 0.000 0.807 182 L CB 1.653 43.734 42.059 0.036 0.000 1.231 182 L HN 0.644 nan 8.230 nan 0.000 0.438 183 E N 0.491 120.685 120.200 -0.009 0.000 2.208 183 E HA -0.051 4.299 4.350 0.001 0.000 0.193 183 E C 0.063 176.719 176.600 0.094 0.000 0.988 183 E CA 0.681 57.122 56.400 0.069 0.000 0.828 183 E CB 0.309 30.032 29.700 0.038 0.000 0.763 183 E HN 0.655 nan 8.360 nan 0.000 0.478 184 S N -0.239 115.497 115.700 0.062 0.000 2.570 184 S HA 0.306 4.776 4.470 0.001 0.000 0.270 184 S C -0.734 173.895 174.600 0.049 0.000 1.149 184 S CA -1.102 57.134 58.200 0.059 0.000 0.837 184 S CB 1.859 65.089 63.200 0.050 0.000 1.124 184 S HN -0.020 nan 8.310 nan 0.000 0.465 185 K N 1.546 121.975 120.400 0.047 0.000 2.121 185 K HA 0.358 4.678 4.320 0.001 0.000 0.235 185 K C -0.443 176.179 176.600 0.037 0.000 1.200 185 K CA 0.123 56.435 56.287 0.042 0.000 1.115 185 K CB -0.521 32.002 32.500 0.039 0.000 1.474 185 K HN 0.629 nan 8.250 nan 0.000 0.295 186 S N 1.621 117.344 115.700 0.039 0.000 2.547 186 S HA 0.172 4.642 4.470 0.001 0.000 0.270 186 S C 0.308 174.934 174.600 0.043 0.000 1.150 186 S CA -0.951 57.271 58.200 0.036 0.000 0.850 186 S CB 1.054 64.272 63.200 0.031 0.000 1.118 186 S HN 0.617 nan 8.310 nan 0.000 0.461 187 K N 1.282 121.710 120.400 0.047 0.000 2.362 187 K HA 0.064 4.384 4.320 0.001 0.000 0.200 187 K C 0.093 176.720 176.600 0.046 0.000 1.046 187 K CA 1.342 57.666 56.287 0.061 0.000 0.952 187 K CB -0.157 32.386 32.500 0.071 0.000 0.753 187 K HN 0.464 nan 8.250 nan 0.000 0.466 188 D N 1.159 121.577 120.400 0.032 0.000 2.350 188 D HA 0.097 4.737 4.640 0.001 0.000 0.213 188 D C 0.342 176.654 176.300 0.018 0.000 1.031 188 D CA 0.191 54.203 54.000 0.020 0.000 0.861 188 D CB 0.429 41.237 40.800 0.014 0.000 0.926 188 D HN 0.373 nan 8.370 nan 0.000 0.520 189 A N 0.900 123.735 122.820 0.024 0.000 2.351 189 A HA 0.252 4.572 4.320 0.001 0.000 0.257 189 A C 0.506 178.096 177.584 0.009 0.000 1.087 189 A CA -0.411 51.636 52.037 0.018 0.000 0.798 189 A CB 0.433 19.448 19.000 0.025 0.000 1.033 189 A HN -0.076 nan 8.150 nan 0.000 0.488 190 N N 0.107 118.801 118.700 -0.009 0.000 2.508 190 N HA 0.293 5.033 4.740 0.001 0.000 0.264 190 N C -0.432 175.048 175.510 -0.050 0.000 1.216 190 N CA 0.109 53.142 53.050 -0.027 0.000 0.943 190 N CB 0.518 38.978 38.487 -0.045 0.000 1.113 190 N HN 0.539 nan 8.380 nan 0.000 0.447 191 I N 2.054 122.604 120.570 -0.034 0.000 2.428 191 I HA 0.214 4.385 4.170 0.001 0.000 0.289 191 I C 0.577 176.636 176.117 -0.097 0.000 1.019 191 I CA -0.393 60.882 61.300 -0.042 0.000 1.351 191 I CB 0.648 38.656 38.000 0.013 0.000 1.412 191 I HN 0.088 nan 8.210 nan 0.000 0.513 192 R N 6.939 127.337 120.500 -0.170 0.000 2.393 192 R HA 0.534 4.874 4.340 0.001 0.000 0.315 192 R C -0.846 175.429 176.300 -0.042 0.000 0.952 192 R CA -0.836 55.141 56.100 -0.206 0.000 0.842 192 R CB 1.744 31.652 30.300 -0.654 0.000 1.163 192 R HN 0.560 nan 8.270 nan 0.000 0.450 193 I N 5.363 125.971 120.570 0.064 0.000 2.416 193 I HA 0.235 4.405 4.170 0.001 0.000 0.288 193 I C 1.057 177.317 176.117 0.238 0.000 1.051 193 I CA -0.280 61.117 61.300 0.162 0.000 1.375 193 I CB 0.581 38.752 38.000 0.285 0.000 1.407 193 I HN 0.449 nan 8.210 nan 0.000 0.516 194 I N 2.395 123.102 120.570 0.229 0.000 2.607 194 I HA 0.546 4.716 4.170 0.001 0.000 0.305 194 I C -0.288 176.013 176.117 0.307 0.000 0.995 194 I CA -0.477 60.972 61.300 0.248 0.000 1.148 194 I CB 1.629 39.745 38.000 0.193 0.000 1.323 194 I HN 0.550 nan 8.210 nan 0.000 0.461 195 D N 1.580 122.104 120.400 0.206 0.000 3.059 195 D HA -0.200 4.440 4.640 0.001 0.000 0.208 195 D C -0.302 175.825 176.300 -0.287 0.000 1.079 195 D CA 0.817 54.849 54.000 0.054 0.000 0.986 195 D CB -1.574 39.288 40.800 0.102 0.000 1.090 195 D HN 0.552 nan 8.370 nan 0.000 0.428 196 F N 0.793 120.642 119.950 -0.169 0.000 2.629 196 F HA 0.293 4.821 4.527 0.000 0.000 0.377 196 F C 2.082 177.824 175.800 -0.096 0.000 1.101 196 F CA 2.396 60.296 58.000 -0.168 0.000 1.301 196 F CB 0.640 39.677 39.000 0.062 0.000 1.062 196 F HN 0.203 nan 8.300 nan 0.000 0.583 197 G N 3.206 112.061 108.800 0.092 0.000 2.267 197 G HA2 -0.328 3.632 3.960 0.001 0.000 0.257 197 G HA3 -0.328 3.632 3.960 0.001 0.000 0.257 197 G C 1.133 176.090 174.900 0.095 0.000 0.998 197 G CA 0.417 45.594 45.100 0.127 0.000 0.620 197 G HN 0.618 nan 8.290 nan 0.000 0.529 198 L N 1.598 122.846 121.223 0.041 0.000 2.083 198 L HA -0.076 4.264 4.340 0.001 0.000 0.209 198 L C 3.156 180.021 176.870 -0.008 0.000 1.083 198 L CA 2.305 57.181 54.840 0.061 0.000 0.752 198 L CB -0.598 41.501 42.059 0.066 0.000 0.899 198 L HN 0.587 nan 8.230 nan 0.000 0.433 199 S N -1.963 113.770 115.700 0.054 0.000 2.453 199 S HA -0.121 4.349 4.470 0.001 0.000 0.231 199 S C 1.788 176.391 174.600 0.005 0.000 1.005 199 S CA 1.242 59.511 58.200 0.116 0.000 0.949 199 S CB -0.561 62.733 63.200 0.157 0.000 0.774 199 S HN 0.343 nan 8.310 nan 0.000 0.510 200 T N 1.233 115.736 114.554 -0.086 0.000 2.915 200 T HA -0.027 4.323 4.350 0.001 0.000 0.269 200 T C 1.251 175.637 174.700 -0.522 0.000 1.071 200 T CA 1.308 63.243 62.100 -0.276 0.000 1.132 200 T CB -0.302 68.341 68.868 -0.375 0.000 0.878 200 T HN 0.641 nan 8.240 nan 0.000 0.479 201 H N -1.487 117.385 119.070 -0.329 0.000 2.885 201 H HA 0.325 4.882 4.556 0.001 0.000 0.260 201 H C -0.432 174.355 175.328 -0.903 0.000 0.985 201 H CA 0.050 55.708 56.048 -0.650 0.000 1.210 201 H CB 0.660 29.873 29.762 -0.915 0.000 1.466 201 H HN 0.301 nan 8.280 nan 0.000 0.493 202 F N 1.377 121.212 119.950 -0.192 0.000 2.565 202 F HA 0.303 4.830 4.527 0.001 0.000 0.313 202 F C 0.279 176.058 175.800 -0.035 0.000 1.091 202 F CA -1.020 56.840 58.000 -0.233 0.000 0.915 202 F CB 1.899 40.493 39.000 -0.676 0.000 1.208 202 F HN -0.220 nan 8.300 nan 0.000 0.453 203 E N 1.512 121.884 120.200 0.287 0.000 2.283 203 E HA 0.570 4.920 4.350 0.001 0.000 0.278 203 E C -0.475 176.367 176.600 0.405 0.000 1.027 203 E CA -0.718 55.848 56.400 0.278 0.000 0.843 203 E CB 1.705 31.507 29.700 0.170 0.000 1.062 203 E HN 0.671 nan 8.360 nan 0.000 0.401 204 A N 2.555 125.567 122.820 0.320 0.000 2.425 204 A HA 0.232 4.553 4.320 0.001 0.000 0.249 204 A C 0.369 178.010 177.584 0.096 0.000 1.084 204 A CA -0.499 51.643 52.037 0.176 0.000 0.781 204 A CB 0.316 19.352 19.000 0.061 0.000 1.019 204 A HN 0.632 nan 8.150 nan 0.000 0.490 205 S N 1.342 117.066 115.700 0.039 0.000 2.592 205 S HA 0.336 4.807 4.470 0.001 0.000 0.271 205 S C 0.246 174.854 174.600 0.012 0.000 1.326 205 S CA -0.482 57.737 58.200 0.032 0.000 1.024 205 S CB 1.047 64.257 63.200 0.016 0.000 0.921 205 S HN 0.543 nan 8.310 nan 0.000 0.527 206 K N 0.534 120.945 120.400 0.018 0.000 2.444 206 K HA 0.150 4.470 4.320 0.001 0.000 0.193 206 K C 0.008 176.613 176.600 0.008 0.000 1.024 206 K CA 0.196 56.490 56.287 0.012 0.000 1.077 206 K CB -0.001 32.508 32.500 0.016 0.000 0.833 206 K HN 0.518 nan 8.250 nan 0.000 0.517 207 K N 0.652 121.055 120.400 0.005 0.000 2.412 207 K HA -0.007 4.314 4.320 0.001 0.000 0.281 207 K C 0.837 177.439 176.600 0.003 0.000 1.027 207 K CA -0.163 56.127 56.287 0.005 0.000 0.989 207 K CB 0.644 33.145 32.500 0.002 0.000 0.935 207 K HN -0.066 nan 8.250 nan 0.000 0.475 208 M N 4.370 123.977 119.600 0.012 0.000 2.175 208 M HA -0.173 4.307 4.480 0.001 0.000 0.264 208 M C 1.685 177.994 176.300 0.015 0.000 1.063 208 M CA 1.798 57.109 55.300 0.018 0.000 1.119 208 M CB -0.209 32.411 32.600 0.033 0.000 1.377 208 M HN 0.553 nan 8.290 nan 0.000 0.415 209 K N -1.387 119.021 120.400 0.014 0.000 2.211 209 K HA -0.152 4.168 4.320 0.001 0.000 0.204 209 K C 1.044 177.641 176.600 -0.006 0.000 1.047 209 K CA 1.788 58.081 56.287 0.011 0.000 0.935 209 K CB -0.562 31.946 32.500 0.013 0.000 0.728 209 K HN 0.298 nan 8.250 nan 0.000 0.452 210 D N 1.555 121.943 120.400 -0.020 0.000 2.240 210 D HA -0.076 4.564 4.640 0.001 0.000 0.206 210 D C 1.279 177.546 176.300 -0.054 0.000 0.963 210 D CA 1.151 55.120 54.000 -0.052 0.000 0.863 210 D CB 0.174 40.933 40.800 -0.069 0.000 0.973 210 D HN 0.586 nan 8.370 nan 0.000 0.501 211 K N 0.256 120.638 120.400 -0.029 0.000 2.399 211 K HA 0.210 4.530 4.320 0.001 0.000 0.204 211 K C 0.599 177.200 176.600 0.001 0.000 1.023 211 K CA -0.263 56.011 56.287 -0.022 0.000 1.127 211 K CB 0.605 33.093 32.500 -0.021 0.000 0.856 211 K HN -0.031 nan 8.250 nan 0.000 0.514 212 I N 2.205 122.783 120.570 0.012 0.000 2.710 212 I HA -0.046 4.124 4.170 0.001 0.000 0.286 212 I C 0.974 177.132 176.117 0.068 0.000 1.181 212 I CA 1.584 62.905 61.300 0.035 0.000 1.430 212 I CB 0.670 38.691 38.000 0.035 0.000 1.367 212 I HN 0.768 nan 8.210 nan 0.000 0.577 213 G N 3.695 112.562 108.800 0.112 0.000 2.184 213 G HA2 -0.351 3.609 3.960 0.001 0.000 0.264 213 G HA3 -0.351 3.609 3.960 0.001 0.000 0.264 213 G C 0.834 175.931 174.900 0.328 0.000 0.975 213 G CA 0.763 46.028 45.100 0.275 0.000 0.642 213 G HN 0.730 nan 8.290 nan 0.000 0.536 214 T N -2.367 112.274 114.554 0.145 0.000 3.014 214 T HA 0.464 4.815 4.350 0.001 0.000 0.263 214 T C 2.509 177.268 174.700 0.098 0.000 1.078 214 T CA 1.554 63.752 62.100 0.164 0.000 1.135 214 T CB -0.166 68.734 68.868 0.054 0.000 0.895 214 T HN 1.328 nan 8.240 nan 0.000 0.480 215 A N 0.910 123.660 122.820 -0.116 0.000 1.972 215 A HA -0.000 4.320 4.320 0.001 0.000 0.219 215 A C 2.020 179.463 177.584 -0.234 0.000 1.169 215 A CA 1.166 53.069 52.037 -0.224 0.000 0.635 215 A CB -1.185 17.615 19.000 -0.332 0.000 0.810 215 A HN 0.621 nan 8.150 nan 0.000 0.446 216 Y N -1.909 118.308 120.300 -0.139 0.000 2.333 216 Y HA -0.189 4.361 4.550 0.001 0.000 0.290 216 Y C 1.747 177.431 175.900 -0.361 0.000 1.144 216 Y CA 1.593 59.474 58.100 -0.364 0.000 1.228 216 Y CB -0.527 37.483 38.460 -0.751 0.000 0.985 216 Y HN 0.491 nan 8.280 nan 0.000 0.542 217 Y N -1.629 118.831 120.300 0.266 0.000 2.430 217 Y HA 0.265 4.815 4.550 0.000 0.000 0.248 217 Y C 0.755 176.774 175.900 0.198 0.000 1.108 217 Y CA -1.196 57.043 58.100 0.230 0.000 1.264 217 Y CB 0.325 38.873 38.460 0.147 0.000 1.172 217 Y HN -0.086 nan 8.280 nan 0.000 0.520 218 I N 1.594 122.270 120.570 0.177 0.000 2.529 218 I HA 0.345 4.516 4.170 0.001 0.000 0.284 218 I C 0.427 176.410 176.117 -0.223 0.000 1.082 218 I CA -0.562 60.727 61.300 -0.018 0.000 1.406 218 I CB 0.594 38.532 38.000 -0.104 0.000 1.405 218 I HN 0.137 nan 8.210 nan 0.000 0.548 219 A N 8.823 131.391 122.820 -0.420 0.000 2.425 219 A HA 0.347 4.667 4.320 0.001 0.000 0.249 219 A C -1.809 175.242 177.584 -0.888 0.000 1.084 219 A CA -1.123 50.304 52.037 -1.017 0.000 0.781 219 A CB -0.098 18.485 19.000 -0.695 0.000 1.019 219 A HN 0.653 nan 8.150 nan 0.000 0.490 220 P HA -0.216 nan 4.420 nan 0.000 0.216 220 P C 1.286 178.211 177.300 -0.625 0.000 1.150 220 P CA 1.682 64.283 63.100 -0.832 0.000 0.837 220 P CB 0.085 31.209 31.700 -0.961 0.000 0.786 221 E N -0.064 119.813 120.200 -0.538 0.000 2.268 221 E HA -0.081 4.269 4.350 0.001 0.000 0.195 221 E C 1.728 178.241 176.600 -0.145 0.000 0.995 221 E CA 1.061 57.317 56.400 -0.240 0.000 0.836 221 E CB -1.221 28.371 29.700 -0.180 0.000 0.763 221 E HN 0.100 nan 8.360 nan 0.000 0.491 222 V N 1.868 121.611 119.914 -0.285 0.000 2.427 222 V HA -0.212 3.909 4.120 0.001 0.000 0.248 222 V C 2.643 178.595 176.094 -0.236 0.000 1.051 222 V CA 1.288 63.396 62.300 -0.320 0.000 1.048 222 V CB -0.555 30.958 31.823 -0.516 0.000 0.666 222 V HN 0.200 nan 8.190 nan 0.000 0.456 223 L N -0.484 120.537 121.223 -0.336 0.000 2.079 223 L HA -0.214 4.127 4.340 0.001 0.000 0.210 223 L C 2.341 179.066 176.870 -0.243 0.000 1.081 223 L CA 1.917 56.555 54.840 -0.336 0.000 0.752 223 L CB -0.709 41.049 42.059 -0.502 0.000 0.896 223 L HN 0.465 nan 8.230 nan 0.000 0.433 224 H N -1.555 117.471 119.070 -0.072 0.000 2.563 224 H HA 0.125 4.681 4.556 0.000 0.000 0.264 224 H C 1.687 177.014 175.328 -0.002 0.000 0.957 224 H CA 0.402 56.429 56.048 -0.034 0.000 1.173 224 H CB 0.589 30.326 29.762 -0.041 0.000 1.420 224 H HN 0.433 nan 8.280 nan 0.000 0.551 225 G N 0.344 109.222 108.800 0.129 0.000 2.307 225 G HA2 -0.248 3.712 3.960 0.001 0.000 0.210 225 G HA3 -0.248 3.712 3.960 0.001 0.000 0.210 225 G C 0.455 175.437 174.900 0.136 0.000 1.005 225 G CA 0.094 45.279 45.100 0.142 0.000 0.634 225 G HN 0.300 nan 8.290 nan 0.000 0.496 226 T N 2.067 116.678 114.554 0.095 0.000 2.762 226 T HA 0.620 4.970 4.350 0.001 0.000 0.303 226 T C -0.514 174.222 174.700 0.060 0.000 0.977 226 T CA 0.280 62.383 62.100 0.004 0.000 0.961 226 T CB 0.302 69.161 68.868 -0.014 0.000 0.944 226 T HN 0.814 nan 8.240 nan 0.000 0.481 227 Y N 1.024 121.283 120.300 -0.068 0.000 2.615 227 Y HA 0.801 5.351 4.550 0.000 0.000 0.341 227 Y C -0.804 175.054 175.900 -0.071 0.000 1.089 227 Y CA -1.570 56.481 58.100 -0.081 0.000 1.049 227 Y CB 1.368 39.770 38.460 -0.095 0.000 1.296 227 Y HN 0.538 nan 8.280 nan 0.000 0.470 228 D N -1.329 119.127 120.400 0.094 0.000 2.895 228 D HA 0.147 4.787 4.640 0.001 0.000 0.320 228 D C 0.761 177.086 176.300 0.041 0.000 1.249 228 D CA -0.319 53.681 54.000 0.001 0.000 0.997 228 D CB 0.075 40.842 40.800 -0.055 0.000 1.430 228 D HN 0.614 nan 8.370 nan 0.000 0.558 229 E N 0.418 120.559 120.200 -0.097 0.000 2.273 229 E HA -0.251 4.099 4.350 0.001 0.000 0.198 229 E C 0.978 177.520 176.600 -0.097 0.000 1.002 229 E CA 1.081 57.300 56.400 -0.301 0.000 0.828 229 E CB -0.315 28.901 29.700 -0.807 0.000 0.747 229 E HN 0.352 nan 8.360 nan 0.000 0.491 230 K N 0.879 121.285 120.400 0.010 0.000 2.280 230 K HA -0.092 4.228 4.320 0.001 0.000 0.202 230 K C 2.408 179.098 176.600 0.150 0.000 1.047 230 K CA 1.140 57.492 56.287 0.108 0.000 0.942 230 K CB -0.951 31.601 32.500 0.085 0.000 0.739 230 K HN 0.543 nan 8.250 nan 0.000 0.457 231 C N 0.676 120.041 119.300 0.108 0.000 2.410 231 C HA -0.056 4.404 4.460 0.001 0.000 0.281 231 C C 1.867 176.955 174.990 0.163 0.000 1.318 231 C CA 0.429 59.494 59.018 0.079 0.000 1.776 231 C CB -0.625 27.100 27.740 -0.026 0.000 1.942 231 C HN 0.293 nan 8.230 nan 0.000 0.508 232 D N 1.231 121.757 120.400 0.211 0.000 2.183 232 D HA -0.039 4.602 4.640 0.001 0.000 0.203 232 D C 2.406 178.842 176.300 0.227 0.000 0.969 232 D CA 1.159 55.297 54.000 0.229 0.000 0.842 232 D CB -0.205 40.823 40.800 0.380 0.000 0.957 232 D HN 0.481 nan 8.370 nan 0.000 0.484 233 V N 0.907 120.979 119.914 0.264 0.000 2.427 233 V HA -0.174 3.946 4.120 0.001 0.000 0.248 233 V C 2.167 178.382 176.094 0.201 0.000 1.051 233 V CA 1.089 63.515 62.300 0.211 0.000 1.048 233 V CB -0.415 31.533 31.823 0.209 0.000 0.666 233 V HN 0.382 nan 8.190 nan 0.000 0.456 234 W N 1.322 122.655 121.300 0.054 0.000 2.355 234 W HA -0.193 4.468 4.660 0.001 0.000 0.309 234 W C 2.470 179.019 176.519 0.051 0.000 1.206 234 W CA 2.081 59.445 57.345 0.031 0.000 1.284 234 W CB -0.544 28.908 29.460 -0.013 0.000 1.145 234 W HN 0.339 nan 8.180 nan 0.000 0.502 235 S N 0.558 116.481 115.700 0.371 0.000 2.382 235 S HA -0.189 4.281 4.470 0.001 0.000 0.228 235 S C 1.664 176.349 174.600 0.142 0.000 1.027 235 S CA 2.199 60.567 58.200 0.280 0.000 0.991 235 S CB -0.767 62.543 63.200 0.184 0.000 0.823 235 S HN 0.274 nan 8.310 nan 0.000 0.469 236 T N 1.540 116.151 114.554 0.096 0.000 2.821 236 T HA -0.013 4.337 4.350 0.001 0.000 0.267 236 T C 2.101 176.830 174.700 0.047 0.000 1.046 236 T CA 1.210 63.353 62.100 0.071 0.000 1.139 236 T CB -0.750 68.165 68.868 0.078 0.000 0.871 236 T HN 0.548 nan 8.240 nan 0.000 0.454 237 G N 1.137 109.921 108.800 -0.027 0.000 2.418 237 G HA2 -0.165 3.795 3.960 0.001 0.000 0.217 237 G HA3 -0.165 3.795 3.960 0.001 0.000 0.217 237 G C 1.683 176.508 174.900 -0.125 0.000 1.158 237 G CA 0.764 45.790 45.100 -0.122 0.000 0.771 237 G HN 0.430 nan 8.290 nan 0.000 0.545 238 V N 1.123 120.952 119.914 -0.142 0.000 2.343 238 V HA -0.144 3.976 4.120 0.001 0.000 0.247 238 V C 2.783 178.970 176.094 0.156 0.000 1.051 238 V CA 1.496 63.763 62.300 -0.056 0.000 1.036 238 V CB -0.356 31.507 31.823 0.068 0.000 0.654 238 V HN 0.396 nan 8.190 nan 0.000 0.451 239 I N -0.530 120.175 120.570 0.225 0.000 2.226 239 I HA -0.244 3.926 4.170 0.001 0.000 0.245 239 I C 2.414 178.685 176.117 0.256 0.000 1.100 239 I CA 1.340 62.811 61.300 0.286 0.000 1.374 239 I CB -0.387 37.726 38.000 0.188 0.000 1.057 239 I HN 0.320 nan 8.210 nan 0.000 0.413 240 L N 0.405 121.734 121.223 0.178 0.000 2.012 240 L HA -0.287 4.054 4.340 0.001 0.000 0.210 240 L C 2.487 179.455 176.870 0.164 0.000 1.073 240 L CA 1.939 56.867 54.840 0.147 0.000 0.748 240 L CB -1.068 41.021 42.059 0.051 0.000 0.891 240 L HN 0.243 nan 8.230 nan 0.000 0.431 241 Y N -0.285 120.052 120.300 0.062 0.000 2.207 241 Y HA -0.279 4.272 4.550 0.001 0.000 0.287 241 Y C 2.346 178.304 175.900 0.095 0.000 1.156 241 Y CA 2.144 60.350 58.100 0.176 0.000 1.182 241 Y CB -0.113 38.361 38.460 0.022 0.000 0.979 241 Y HN 0.249 nan 8.280 nan 0.000 0.521 242 I N -0.478 120.250 120.570 0.265 0.000 2.286 242 I HA -0.310 3.861 4.170 0.001 0.000 0.245 242 I C 2.159 178.242 176.117 -0.057 0.000 1.104 242 I CA 1.003 62.347 61.300 0.074 0.000 1.397 242 I CB -0.348 37.718 38.000 0.111 0.000 1.072 242 I HN 0.250 nan 8.210 nan 0.000 0.417 243 L N 0.148 121.391 121.223 0.033 0.000 2.083 243 L HA -0.211 4.129 4.340 0.001 0.000 0.209 243 L C 2.336 179.231 176.870 0.042 0.000 1.083 243 L CA 1.362 56.221 54.840 0.032 0.000 0.752 243 L CB -0.379 41.822 42.059 0.236 0.000 0.899 243 L HN 0.290 nan 8.230 nan 0.000 0.433 244 L N -1.348 119.815 121.223 -0.101 0.000 2.375 244 L HA -0.017 4.323 4.340 0.001 0.000 0.215 244 L C 2.266 178.735 176.870 -0.669 0.000 1.108 244 L CA 0.932 55.588 54.840 -0.306 0.000 0.830 244 L CB -0.088 41.762 42.059 -0.348 0.000 0.959 244 L HN 0.336 nan 8.230 nan 0.000 0.457 245 S N -2.219 113.059 115.700 -0.703 0.000 2.589 245 S HA 0.230 4.700 4.470 0.001 0.000 0.235 245 S C 1.484 175.843 174.600 -0.401 0.000 1.051 245 S CA 0.454 58.188 58.200 -0.777 0.000 0.978 245 S CB 1.054 63.632 63.200 -1.037 0.000 0.929 245 S HN 0.356 nan 8.310 nan 0.000 0.523 246 G N 0.608 109.226 108.800 -0.304 0.000 2.162 246 G HA2 -0.250 3.711 3.960 0.001 0.000 0.260 246 G HA3 -0.250 3.711 3.960 0.001 0.000 0.260 246 G C 0.100 174.849 174.900 -0.251 0.000 0.976 246 G CA 0.134 45.081 45.100 -0.254 0.000 0.655 246 G HN 0.792 nan 8.290 nan 0.000 0.533 247 C N 0.911 120.086 119.300 -0.208 0.000 2.547 247 C HA 0.688 5.149 4.460 0.001 0.000 0.313 247 C C -2.198 172.714 174.990 -0.129 0.000 1.191 247 C CA -1.548 57.354 59.018 -0.193 0.000 1.474 247 C CB 2.213 29.935 27.740 -0.030 0.000 2.081 247 C HN 0.282 nan 8.230 nan 0.000 0.476 248 P HA 0.197 nan 4.420 nan 0.000 0.271 248 P C -1.909 175.186 177.300 -0.342 0.000 1.216 248 P CA -0.998 61.897 63.100 -0.341 0.000 0.776 248 P CB 0.328 31.779 31.700 -0.416 0.000 0.881 249 P HA -0.062 nan 4.420 nan 0.000 0.219 249 P C -0.240 176.465 177.300 -0.992 0.000 1.150 249 P CA 1.378 63.626 63.100 -1.420 0.000 0.814 249 P CB 0.061 30.406 31.700 -2.258 0.000 0.787 250 F N 0.407 120.227 119.950 -0.216 0.000 2.325 250 F HA 0.456 4.984 4.527 0.001 0.000 0.369 250 F C 0.621 176.441 175.800 0.033 0.000 1.095 250 F CA -1.042 56.921 58.000 -0.061 0.000 1.082 250 F CB 0.215 39.202 39.000 -0.022 0.000 1.289 250 F HN -0.193 nan 8.300 nan 0.000 0.462 251 N N 1.317 120.116 118.700 0.164 0.000 2.402 251 N HA 0.864 5.604 4.740 0.001 0.000 0.294 251 N C -0.450 175.160 175.510 0.166 0.000 1.203 251 N CA -0.502 52.673 53.050 0.209 0.000 0.838 251 N CB 2.325 40.888 38.487 0.126 0.000 1.306 251 N HN 0.751 nan 8.380 nan 0.000 0.510 252 G N -1.242 107.675 108.800 0.196 0.000 2.466 252 G HA2 0.494 4.454 3.960 0.001 0.000 0.291 252 G HA3 0.494 4.454 3.960 0.001 0.000 0.291 252 G C -0.278 174.714 174.900 0.154 0.000 1.460 252 G CA 0.061 45.239 45.100 0.130 0.000 0.791 252 G HN 0.583 nan 8.290 nan 0.000 0.505 253 A N -0.347 122.553 122.820 0.134 0.000 2.016 253 A HA 0.360 4.680 4.320 0.001 0.000 0.217 253 A C 1.050 178.720 177.584 0.144 0.000 1.162 253 A CA 2.041 54.168 52.037 0.150 0.000 0.662 253 A CB -0.549 18.544 19.000 0.154 0.000 0.812 253 A HN 1.490 nan 8.150 nan 0.000 0.450 254 N N -3.029 115.743 118.700 0.119 0.000 2.853 254 N HA 0.239 4.979 4.740 0.001 0.000 0.258 254 N C 0.147 175.685 175.510 0.047 0.000 1.444 254 N CA -0.146 52.966 53.050 0.104 0.000 0.837 254 N CB 0.478 39.050 38.487 0.141 0.000 1.489 254 N HN 0.018 nan 8.380 nan 0.000 0.529 255 E N -0.747 119.474 120.200 0.035 0.000 2.049 255 E HA -0.322 4.028 4.350 0.001 0.000 0.198 255 E C 1.080 177.686 176.600 0.010 0.000 1.007 255 E CA 1.515 57.905 56.400 -0.018 0.000 0.809 255 E CB -0.246 29.458 29.700 0.006 0.000 0.749 255 E HN 0.592 nan 8.360 nan 0.000 0.450 256 Y N 1.953 122.237 120.300 -0.026 0.000 2.114 256 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 256 Y C 1.881 177.773 175.900 -0.012 0.000 1.165 256 Y CA 2.283 60.373 58.100 -0.018 0.000 1.148 256 Y CB -0.373 38.088 38.460 0.001 0.000 0.972 256 Y HN 0.095 nan 8.280 nan 0.000 0.504 257 D N 0.318 120.655 120.400 -0.106 0.000 2.123 257 D HA -0.199 4.441 4.640 0.001 0.000 0.196 257 D C 2.307 178.504 176.300 -0.172 0.000 0.992 257 D CA 1.996 55.888 54.000 -0.179 0.000 0.833 257 D CB -0.365 40.449 40.800 0.023 0.000 0.954 257 D HN 0.495 nan 8.370 nan 0.000 0.455 258 I N 0.513 121.010 120.570 -0.121 0.000 2.163 258 I HA -0.230 3.941 4.170 0.001 0.000 0.240 258 I C 2.472 178.497 176.117 -0.152 0.000 1.081 258 I CA 0.726 61.959 61.300 -0.112 0.000 1.353 258 I CB -0.231 37.630 38.000 -0.231 0.000 1.054 258 I HN -0.045 nan 8.210 nan 0.000 0.407 259 L N 0.576 121.679 121.223 -0.200 0.000 2.131 259 L HA -0.233 4.107 4.340 0.001 0.000 0.210 259 L C 2.619 179.348 176.870 -0.234 0.000 1.092 259 L CA 1.358 56.072 54.840 -0.210 0.000 0.759 259 L CB -0.594 41.365 42.059 -0.166 0.000 0.903 259 L HN 0.258 nan 8.230 nan 0.000 0.435 260 K N 0.512 120.720 120.400 -0.320 0.000 2.097 260 K HA -0.188 4.132 4.320 0.001 0.000 0.206 260 K C 2.124 178.630 176.600 -0.157 0.000 1.049 260 K CA 1.306 57.413 56.287 -0.300 0.000 0.933 260 K CB 0.128 32.318 32.500 -0.517 0.000 0.717 260 K HN 0.233 nan 8.250 nan 0.000 0.442 261 K N 0.118 120.453 120.400 -0.109 0.000 2.062 261 K HA -0.067 4.254 4.320 0.001 0.000 0.205 261 K C 2.042 178.607 176.600 -0.058 0.000 1.051 261 K CA 1.094 57.395 56.287 0.024 0.000 0.941 261 K CB -0.014 32.574 32.500 0.147 0.000 0.719 261 K HN -0.013 nan 8.250 nan 0.000 0.440 262 V N 2.054 121.809 119.914 -0.265 0.000 2.287 262 V HA -0.244 3.877 4.120 0.001 0.000 0.248 262 V C 2.422 178.301 176.094 -0.359 0.000 1.053 262 V CA 1.764 63.691 62.300 -0.621 0.000 1.027 262 V CB -0.374 31.172 31.823 -0.462 0.000 0.646 262 V HN 0.382 nan 8.190 nan 0.000 0.447 263 E N 0.281 120.358 120.200 -0.204 0.000 2.072 263 E HA -0.256 4.094 4.350 0.001 0.000 0.191 263 E C 2.326 178.980 176.600 0.090 0.000 0.985 263 E CA 1.449 57.813 56.400 -0.060 0.000 0.801 263 E CB -0.046 29.613 29.700 -0.070 0.000 0.750 263 E HN 0.573 nan 8.360 nan 0.000 0.452 264 K N -0.749 119.659 120.400 0.012 0.000 2.147 264 K HA -0.136 4.185 4.320 0.001 0.000 0.205 264 K C 1.239 177.843 176.600 0.006 0.000 1.049 264 K CA 1.307 57.589 56.287 -0.008 0.000 0.936 264 K CB -0.144 32.360 32.500 0.006 0.000 0.722 264 K HN 0.296 nan 8.250 nan 0.000 0.446 265 G N 0.945 109.835 108.800 0.150 0.000 2.179 265 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 265 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 265 G C -0.394 174.853 174.900 0.580 0.000 0.977 265 G CA 0.435 45.781 45.100 0.409 0.000 0.641 265 G HN 0.313 nan 8.290 nan 0.000 0.533 266 K N 0.122 120.764 120.400 0.402 0.000 2.234 266 K HA 0.598 4.919 4.320 0.001 0.000 0.282 266 K C -0.121 176.663 176.600 0.307 0.000 1.039 266 K CA -0.397 56.043 56.287 0.256 0.000 0.928 266 K CB 0.838 33.378 32.500 0.067 0.000 1.039 266 K HN 0.595 nan 8.250 nan 0.000 0.470 267 Y N -1.554 118.681 120.300 -0.108 0.000 2.625 267 Y HA 0.594 5.144 4.550 0.001 0.000 0.338 267 Y C -0.646 174.988 175.900 -0.444 0.000 1.123 267 Y CA -1.138 56.715 58.100 -0.412 0.000 1.046 267 Y CB 1.547 39.479 38.460 -0.879 0.000 1.299 267 Y HN 0.593 nan 8.280 nan 0.000 0.464 268 T N -1.788 112.463 114.554 -0.505 0.000 2.841 268 T HA 0.557 4.907 4.350 0.001 0.000 0.296 268 T C -1.275 173.025 174.700 -0.667 0.000 1.166 268 T CA -0.732 61.001 62.100 -0.612 0.000 1.007 268 T CB 1.301 69.996 68.868 -0.290 0.000 1.253 268 T HN 0.521 nan 8.240 nan 0.000 0.511 269 F N 1.053 120.788 119.950 -0.358 0.000 2.925 269 F HA 0.303 4.831 4.527 0.001 0.000 0.302 269 F C 1.950 177.649 175.800 -0.169 0.000 1.189 269 F CA -1.014 56.596 58.000 -0.650 0.000 1.346 269 F CB -0.050 38.449 39.000 -0.835 0.000 0.954 269 F HN 0.840 nan 8.300 nan 0.000 0.506 270 E N 0.099 120.337 120.200 0.065 0.000 2.208 270 E HA -0.073 4.277 4.350 0.001 0.000 0.193 270 E C 0.506 177.212 176.600 0.177 0.000 0.988 270 E CA 0.422 56.882 56.400 0.099 0.000 0.828 270 E CB 0.112 29.837 29.700 0.041 0.000 0.763 270 E HN 0.369 nan 8.360 nan 0.000 0.478 271 L N 1.995 123.397 121.223 0.299 0.000 2.485 271 L HA 0.054 4.394 4.340 0.001 0.000 0.275 271 L C -1.485 175.508 176.870 0.205 0.000 1.207 271 L CA -1.398 53.587 54.840 0.243 0.000 0.855 271 L CB 0.299 42.508 42.059 0.250 0.000 1.114 271 L HN -0.053 nan 8.230 nan 0.000 0.485 272 P HA -0.213 nan 4.420 nan 0.000 0.216 272 P C 1.187 178.500 177.300 0.021 0.000 1.150 272 P CA 0.952 64.084 63.100 0.054 0.000 0.837 272 P CB -0.014 31.696 31.700 0.018 0.000 0.786 273 Q N -1.307 118.456 119.800 -0.062 0.000 2.364 273 Q HA -0.159 4.182 4.340 0.001 0.000 0.207 273 Q C 1.531 177.397 176.000 -0.223 0.000 0.970 273 Q CA 1.245 56.944 55.803 -0.174 0.000 0.888 273 Q CB -1.317 27.254 28.738 -0.278 0.000 0.951 273 Q HN 0.387 nan 8.270 nan 0.000 0.469 274 W N 1.560 122.820 121.300 -0.066 0.000 2.699 274 W HA 0.020 4.681 4.660 0.000 0.000 0.249 274 W C 1.910 178.372 176.519 -0.095 0.000 1.280 274 W CA 0.195 57.483 57.345 -0.095 0.000 1.345 274 W CB 0.350 29.788 29.460 -0.037 0.000 1.128 274 W HN 0.010 nan 8.180 nan 0.000 0.642 275 K N 0.618 121.092 120.400 0.125 0.000 2.211 275 K HA -0.082 4.238 4.320 0.001 0.000 0.203 275 K C 1.370 177.986 176.600 0.026 0.000 1.050 275 K CA 1.039 57.364 56.287 0.062 0.000 0.945 275 K CB -0.387 32.138 32.500 0.042 0.000 0.732 275 K HN 0.267 nan 8.250 nan 0.000 0.451 276 K N 0.888 121.285 120.400 -0.005 0.000 2.525 276 K HA 0.057 4.377 4.320 0.001 0.000 0.192 276 K C 0.172 176.762 176.600 -0.016 0.000 1.029 276 K CA 0.110 56.384 56.287 -0.022 0.000 1.029 276 K CB 0.376 32.844 32.500 -0.054 0.000 0.814 276 K HN -0.133 nan 8.250 nan 0.000 0.503 277 V N 1.932 121.845 119.914 -0.001 0.000 2.483 277 V HA 0.075 4.195 4.120 0.001 0.000 0.295 277 V C 0.361 176.456 176.094 0.000 0.000 1.035 277 V CA -1.037 61.263 62.300 0.001 0.000 0.896 277 V CB 1.591 33.446 31.823 0.053 0.000 0.986 277 V HN 0.222 nan 8.190 nan 0.000 0.447 278 S N 2.186 117.888 115.700 0.002 0.000 2.573 278 S HA 0.048 4.518 4.470 0.001 0.000 0.277 278 S C 0.962 175.515 174.600 -0.077 0.000 1.346 278 S CA 0.148 58.361 58.200 0.022 0.000 1.034 278 S CB 0.950 64.231 63.200 0.136 0.000 0.879 278 S HN 0.814 nan 8.310 nan 0.000 0.528 279 E N 1.814 121.985 120.200 -0.048 0.000 2.150 279 E HA -0.092 4.259 4.350 0.001 0.000 0.193 279 E C 2.034 178.582 176.600 -0.087 0.000 0.985 279 E CA 1.530 57.869 56.400 -0.102 0.000 0.814 279 E CB -0.636 29.036 29.700 -0.047 0.000 0.752 279 E HN 0.712 nan 8.360 nan 0.000 0.466 280 S N -0.768 114.944 115.700 0.020 0.000 2.368 280 S HA -0.144 4.326 4.470 0.001 0.000 0.225 280 S C 2.002 176.553 174.600 -0.082 0.000 1.030 280 S CA 1.378 59.654 58.200 0.126 0.000 0.999 280 S CB -0.471 62.925 63.200 0.328 0.000 0.844 280 S HN 0.439 nan 8.310 nan 0.000 0.459 281 A N 1.348 123.889 122.820 -0.465 0.000 1.877 281 A HA -0.103 4.218 4.320 0.001 0.000 0.216 281 A C 2.114 179.275 177.584 -0.704 0.000 1.186 281 A CA 1.701 53.038 52.037 -1.165 0.000 0.620 281 A CB -0.590 17.720 19.000 -1.150 0.000 0.822 281 A HN 0.630 nan 8.150 nan 0.000 0.443 282 K N -0.638 119.433 120.400 -0.547 0.000 2.097 282 K HA -0.188 4.132 4.320 0.001 0.000 0.206 282 K C 1.800 178.208 176.600 -0.319 0.000 1.049 282 K CA 1.540 57.429 56.287 -0.663 0.000 0.933 282 K CB -0.251 31.634 32.500 -1.025 0.000 0.717 282 K HN 0.602 nan 8.250 nan 0.000 0.442 283 D N 0.843 121.121 120.400 -0.203 0.000 2.117 283 D HA -0.177 4.463 4.640 0.001 0.000 0.197 283 D C 1.785 178.026 176.300 -0.099 0.000 0.987 283 D CA 0.676 54.651 54.000 -0.041 0.000 0.829 283 D CB 0.067 40.930 40.800 0.106 0.000 0.961 283 D HN -0.000 nan 8.370 nan 0.000 0.460 284 L N 0.366 121.376 121.223 -0.356 0.000 2.056 284 L HA -0.002 4.338 4.340 0.001 0.000 0.207 284 L C 2.039 178.747 176.870 -0.270 0.000 1.078 284 L CA 1.444 55.939 54.840 -0.575 0.000 0.749 284 L CB -0.566 41.013 42.059 -0.800 0.000 0.901 284 L HN 0.216 nan 8.230 nan 0.000 0.433 285 I N -0.699 119.737 120.570 -0.222 0.000 2.208 285 I HA -0.317 3.853 4.170 0.001 0.000 0.245 285 I C 2.616 178.745 176.117 0.018 0.000 1.097 285 I CA 1.228 62.479 61.300 -0.082 0.000 1.363 285 I CB -0.356 37.673 38.000 0.049 0.000 1.051 285 I HN 0.268 nan 8.210 nan 0.000 0.413 286 R N 0.866 121.437 120.500 0.118 0.000 2.081 286 R HA -0.168 4.173 4.340 0.001 0.000 0.235 286 R C 2.273 178.642 176.300 0.115 0.000 1.131 286 R CA 1.319 57.531 56.100 0.188 0.000 0.960 286 R CB -0.261 30.138 30.300 0.165 0.000 0.856 286 R HN 0.381 nan 8.270 nan 0.000 0.436 287 K N 0.076 120.512 120.400 0.059 0.000 2.097 287 K HA -0.032 4.288 4.320 0.001 0.000 0.205 287 K C 2.067 178.706 176.600 0.066 0.000 1.050 287 K CA 1.247 57.577 56.287 0.072 0.000 0.938 287 K CB 0.034 32.574 32.500 0.068 0.000 0.718 287 K HN 0.154 nan 8.250 nan 0.000 0.442 288 M N 0.281 119.885 119.600 0.006 0.000 2.288 288 M HA -0.027 4.454 4.480 0.001 0.000 0.266 288 M C 1.188 177.458 176.300 -0.050 0.000 1.072 288 M CA 1.112 56.411 55.300 -0.002 0.000 1.132 288 M CB 0.204 32.772 32.600 -0.053 0.000 1.386 288 M HN 0.037 nan 8.290 nan 0.000 0.432 289 L N 0.098 121.227 121.223 -0.157 0.000 2.848 289 L HA 0.169 4.509 4.340 0.001 0.000 0.240 289 L C 0.080 177.033 176.870 0.138 0.000 1.232 289 L CA -0.380 54.224 54.840 -0.393 0.000 1.031 289 L CB -0.523 41.038 42.059 -0.830 0.000 1.338 289 L HN 0.022 nan 8.230 nan 0.000 0.509 290 T N -0.798 113.907 114.554 0.253 0.000 2.888 290 T HA -0.049 4.301 4.350 0.001 0.000 0.301 290 T C 0.757 175.733 174.700 0.461 0.000 1.001 290 T CA 0.215 62.512 62.100 0.330 0.000 1.147 290 T CB 1.122 70.124 68.868 0.224 0.000 0.931 290 T HN 0.154 nan 8.240 nan 0.000 0.541 291 Y N 4.074 124.571 120.300 0.328 0.000 2.109 291 Y HA 0.028 4.578 4.550 0.000 0.000 0.285 291 Y C 1.219 177.195 175.900 0.127 0.000 1.131 291 Y CA 1.124 59.380 58.100 0.261 0.000 1.121 291 Y CB 0.076 38.645 38.460 0.182 0.000 0.987 291 Y HN 0.361 nan 8.280 nan 0.000 0.495 292 V N 3.518 123.588 119.914 0.261 0.000 2.479 292 V HA 0.003 4.124 4.120 0.001 0.000 0.281 292 V C -1.506 174.637 176.094 0.082 0.000 1.031 292 V CA -0.797 61.583 62.300 0.133 0.000 1.038 292 V CB 0.810 32.724 31.823 0.151 0.000 0.981 292 V HN 0.255 nan 8.190 nan 0.000 0.478 293 P HA -0.134 nan 4.420 nan 0.000 0.218 293 P C 1.813 179.149 177.300 0.061 0.000 1.148 293 P CA 1.498 64.621 63.100 0.038 0.000 0.822 293 P CB 0.130 31.830 31.700 0.001 0.000 0.784 294 S N -1.495 114.236 115.700 0.052 0.000 2.423 294 S HA -0.103 4.368 4.470 0.001 0.000 0.231 294 S C 1.768 176.409 174.600 0.068 0.000 1.014 294 S CA 1.103 59.334 58.200 0.052 0.000 0.965 294 S CB -1.203 62.021 63.200 0.041 0.000 0.785 294 S HN 0.100 nan 8.310 nan 0.000 0.495 295 M N 0.395 120.046 119.600 0.084 0.000 2.509 295 M HA 0.227 4.707 4.480 0.001 0.000 0.250 295 M C 1.202 177.569 176.300 0.112 0.000 1.132 295 M CA 0.069 55.426 55.300 0.095 0.000 1.080 295 M CB 0.044 32.707 32.600 0.104 0.000 1.408 295 M HN 0.198 nan 8.290 nan 0.000 0.484 296 R N 1.884 122.457 120.500 0.122 0.000 2.490 296 R HA 0.305 4.645 4.340 0.001 0.000 0.280 296 R C -0.401 175.973 176.300 0.124 0.000 1.077 296 R CA -0.219 55.965 56.100 0.140 0.000 1.065 296 R CB 0.737 31.138 30.300 0.169 0.000 1.003 296 R HN 0.177 nan 8.270 nan 0.000 0.470 297 I N 2.987 123.631 120.570 0.124 0.000 2.752 297 I HA -0.067 4.103 4.170 0.001 0.000 0.287 297 I C 0.326 176.520 176.117 0.130 0.000 1.188 297 I CA 0.431 61.803 61.300 0.120 0.000 1.427 297 I CB 0.851 38.921 38.000 0.116 0.000 1.365 297 I HN 0.821 nan 8.210 nan 0.000 0.585 298 S N 5.712 121.489 115.700 0.128 0.000 2.614 298 S HA 0.348 4.818 4.470 0.001 0.000 0.265 298 S C 1.060 175.752 174.600 0.152 0.000 1.303 298 S CA -0.179 58.110 58.200 0.148 0.000 1.000 298 S CB 1.651 64.930 63.200 0.132 0.000 0.935 298 S HN 0.802 nan 8.310 nan 0.000 0.551 299 A N 1.663 124.590 122.820 0.179 0.000 1.940 299 A HA -0.101 4.219 4.320 0.001 0.000 0.219 299 A C 2.236 179.885 177.584 0.108 0.000 1.176 299 A CA 1.833 53.946 52.037 0.127 0.000 0.631 299 A CB -0.937 18.099 19.000 0.061 0.000 0.814 299 A HN 0.910 nan 8.150 nan 0.000 0.446 300 R N 0.420 120.987 120.500 0.113 0.000 2.083 300 R HA -0.137 4.203 4.340 0.001 0.000 0.237 300 R C 1.308 177.671 176.300 0.106 0.000 1.137 300 R CA 2.210 58.370 56.100 0.100 0.000 0.951 300 R CB -0.626 29.731 30.300 0.095 0.000 0.851 300 R HN 0.464 nan 8.270 nan 0.000 0.434 301 D N -0.148 120.319 120.400 0.113 0.000 2.224 301 D HA -0.013 4.627 4.640 0.001 0.000 0.205 301 D C 1.626 178.018 176.300 0.153 0.000 0.965 301 D CA 1.355 55.428 54.000 0.122 0.000 0.852 301 D CB -0.237 40.633 40.800 0.117 0.000 0.947 301 D HN 0.392 nan 8.370 nan 0.000 0.494 302 A N 0.693 123.602 122.820 0.148 0.000 1.933 302 A HA -0.112 4.208 4.320 0.001 0.000 0.218 302 A C 2.295 179.990 177.584 0.186 0.000 1.175 302 A CA 0.757 52.891 52.037 0.162 0.000 0.628 302 A CB -0.720 18.353 19.000 0.121 0.000 0.814 302 A HN 0.213 nan 8.150 nan 0.000 0.444 303 L N -0.550 120.762 121.223 0.148 0.000 2.131 303 L HA -0.167 4.173 4.340 0.001 0.000 0.210 303 L C 1.309 178.262 176.870 0.138 0.000 1.092 303 L CA 1.206 56.127 54.840 0.134 0.000 0.759 303 L CB -0.368 41.754 42.059 0.104 0.000 0.903 303 L HN 0.294 nan 8.230 nan 0.000 0.435 304 D N -2.262 118.222 120.400 0.140 0.000 2.355 304 D HA -0.058 4.583 4.640 0.001 0.000 0.218 304 D C 0.872 177.257 176.300 0.141 0.000 1.004 304 D CA 0.282 54.352 54.000 0.117 0.000 0.880 304 D CB -0.146 40.709 40.800 0.091 0.000 0.911 304 D HN 0.231 nan 8.370 nan 0.000 0.528 305 H N 1.611 120.750 119.070 0.115 0.000 2.897 305 H HA -0.053 4.504 4.556 0.001 0.000 0.347 305 H C 1.346 176.768 175.328 0.157 0.000 1.068 305 H CA 0.710 56.842 56.048 0.140 0.000 1.426 305 H CB 0.988 30.855 29.762 0.174 0.000 1.410 305 H HN 0.105 nan 8.280 nan 0.000 0.597 306 E N 3.746 123.816 120.200 -0.217 0.000 2.114 306 E HA -0.248 4.103 4.350 0.001 0.000 0.199 306 E C 1.733 178.487 176.600 0.255 0.000 1.008 306 E CA 1.562 57.955 56.400 -0.010 0.000 0.810 306 E CB -0.177 29.461 29.700 -0.104 0.000 0.739 306 E HN 0.767 nan 8.360 nan 0.000 0.456 307 W N 1.096 122.591 121.300 0.325 0.000 2.355 307 W HA -0.203 4.456 4.660 -0.000 0.000 0.309 307 W C 1.942 178.623 176.519 0.271 0.000 1.206 307 W CA 1.353 58.885 57.345 0.313 0.000 1.284 307 W CB -0.258 29.323 29.460 0.202 0.000 1.145 307 W HN 0.101 nan 8.180 nan 0.000 0.502 308 I N 0.609 121.356 120.570 0.295 0.000 2.179 308 I HA -0.307 3.863 4.170 0.001 0.000 0.242 308 I C 2.411 178.523 176.117 -0.008 0.000 1.088 308 I CA 1.566 62.891 61.300 0.042 0.000 1.357 308 I CB -1.701 36.403 38.000 0.173 0.000 1.051 308 I HN 0.147 nan 8.210 nan 0.000 0.409 309 Q N 0.230 120.068 119.800 0.063 0.000 2.096 309 Q HA -0.150 4.190 4.340 0.001 0.000 0.204 309 Q C 2.240 178.227 176.000 -0.021 0.000 0.982 309 Q CA 1.989 57.805 55.803 0.021 0.000 0.850 309 Q CB -0.770 27.989 28.738 0.034 0.000 0.901 309 Q HN 0.502 nan 8.270 nan 0.000 0.422 310 T N -0.177 114.377 114.554 -0.001 0.000 2.851 310 T HA -0.071 4.279 4.350 0.001 0.000 0.262 310 T C 1.408 175.972 174.700 -0.226 0.000 1.043 310 T CA 0.971 63.020 62.100 -0.086 0.000 1.140 310 T CB -0.259 68.591 68.868 -0.030 0.000 0.872 310 T HN 0.297 nan 8.240 nan 0.000 0.446 311 Y N 1.399 121.499 120.300 -0.333 0.000 2.482 311 Y HA 0.110 4.660 4.550 0.000 0.000 0.270 311 Y C 2.482 178.173 175.900 -0.349 0.000 1.152 311 Y CA 0.411 58.260 58.100 -0.419 0.000 1.292 311 Y CB 0.136 38.129 38.460 -0.778 0.000 1.070 311 Y HN 0.260 nan 8.280 nan 0.000 0.528 312 T N -3.180 111.278 114.554 -0.160 0.000 3.092 312 T HA 0.184 4.534 4.350 0.001 0.000 0.258 312 T C 0.313 174.956 174.700 -0.095 0.000 1.031 312 T CA -0.479 61.545 62.100 -0.126 0.000 0.925 312 T CB -0.193 68.613 68.868 -0.103 0.000 1.036 312 T HN -0.059 nan 8.240 nan 0.000 0.544 313 K N 2.013 122.349 120.400 -0.107 0.000 2.524 313 K HA 0.056 4.377 4.320 0.001 0.000 0.279 313 K C 0.995 177.547 176.600 -0.082 0.000 0.993 313 K CA 0.108 56.341 56.287 -0.090 0.000 1.030 313 K CB 0.690 33.125 32.500 -0.108 0.000 0.891 313 K HN 0.379 nan 8.250 nan 0.000 0.488 314 E N 1.639 121.802 120.200 -0.062 0.000 2.085 314 E HA -0.192 4.158 4.350 0.001 0.000 0.194 314 E C 0.019 176.585 176.600 -0.058 0.000 0.994 314 E CA 1.085 57.453 56.400 -0.053 0.000 0.801 314 E CB 0.195 29.870 29.700 -0.041 0.000 0.743 314 E HN 0.418 nan 8.360 nan 0.000 0.453 315 Q N 0.777 120.540 119.800 -0.062 0.000 2.322 315 Q HA 0.242 4.583 4.340 0.001 0.000 0.256 315 Q C -0.256 175.693 176.000 -0.085 0.000 0.960 315 Q CA 0.036 55.801 55.803 -0.064 0.000 0.934 315 Q CB 1.021 29.725 28.738 -0.056 0.000 1.200 315 Q HN 0.240 nan 8.270 nan 0.000 0.435 316 I N 2.253 122.771 120.570 -0.086 0.000 2.494 316 I HA -0.073 4.098 4.170 0.001 0.000 0.289 316 I C 0.988 177.039 176.117 -0.111 0.000 1.106 316 I CA 0.357 61.592 61.300 -0.110 0.000 1.369 316 I CB 0.327 38.270 38.000 -0.095 0.000 1.410 316 I HN 0.567 nan 8.210 nan 0.000 0.523 317 S N 4.561 120.175 115.700 -0.143 0.000 2.629 317 S HA 0.290 4.760 4.470 0.001 0.000 0.236 317 S C 0.136 174.645 174.600 -0.152 0.000 1.010 317 S CA -0.502 57.621 58.200 -0.127 0.000 0.981 317 S CB 0.027 63.156 63.200 -0.117 0.000 0.919 317 S HN 0.314 nan 8.310 nan 0.000 0.514 318 V N 1.411 121.204 119.914 -0.201 0.000 3.096 318 V HA 0.459 4.580 4.120 0.001 0.000 0.319 318 V C -0.470 175.550 176.094 -0.123 0.000 1.103 318 V CA -1.217 60.953 62.300 -0.216 0.000 1.016 318 V CB 1.075 32.622 31.823 -0.460 0.000 1.090 318 V HN 0.188 nan 8.190 nan 0.000 0.449 319 D N 1.709 122.069 120.400 -0.067 0.000 2.424 319 D HA 0.285 4.925 4.640 0.001 0.000 0.244 319 D C 0.136 176.438 176.300 0.004 0.000 1.134 319 D CA 0.250 54.238 54.000 -0.020 0.000 0.881 319 D CB 1.451 42.256 40.800 0.008 0.000 1.191 319 D HN 0.551 nan 8.370 nan 0.000 0.445 320 V N -0.194 119.716 119.914 -0.007 0.000 2.468 320 V HA 0.311 4.431 4.120 0.001 0.000 0.256 320 V C -2.427 173.661 176.094 -0.010 0.000 0.998 320 V CA -1.441 60.856 62.300 -0.006 0.000 1.114 320 V CB 0.405 32.209 31.823 -0.032 0.000 1.378 320 V HN 0.314 nan 8.190 nan 0.000 0.573 321 P HA 0.220 nan 4.420 nan 0.000 0.271 321 P C 0.228 177.520 177.300 -0.013 0.000 1.216 321 P CA 0.552 63.648 63.100 -0.007 0.000 0.776 321 P CB 1.494 33.192 31.700 -0.003 0.000 0.881 322 S N 2.051 117.745 115.700 -0.011 0.000 2.516 322 S HA 0.128 4.599 4.470 0.001 0.000 0.282 322 S C 0.626 175.223 174.600 -0.005 0.000 1.286 322 S CA -0.601 57.598 58.200 -0.001 0.000 1.066 322 S CB -0.560 62.644 63.200 0.007 0.000 0.884 322 S HN 0.300 nan 8.310 nan 0.000 0.491 323 L N 5.694 126.924 121.223 0.012 0.000 2.391 323 L HA 0.164 4.504 4.340 0.001 0.000 0.249 323 L C 0.907 177.767 176.870 -0.017 0.000 1.308 323 L CA -0.411 54.421 54.840 -0.014 0.000 1.209 323 L CB -0.286 41.773 42.059 0.001 0.000 1.401 323 L HN 0.670 nan 8.230 nan 0.000 0.416 324 D N 0.445 120.825 120.400 -0.034 0.000 2.117 324 D HA -0.186 4.454 4.640 0.001 0.000 0.198 324 D C 1.760 178.018 176.300 -0.070 0.000 0.982 324 D CA 1.097 55.072 54.000 -0.041 0.000 0.828 324 D CB 0.206 40.984 40.800 -0.037 0.000 0.967 324 D HN 0.497 nan 8.370 nan 0.000 0.464 325 N N 0.708 119.357 118.700 -0.086 0.000 2.166 325 N HA -0.138 4.602 4.740 0.001 0.000 0.186 325 N C 1.756 177.185 175.510 -0.135 0.000 1.019 325 N CA 1.093 54.080 53.050 -0.104 0.000 0.856 325 N CB 0.167 38.590 38.487 -0.108 0.000 0.993 325 N HN 0.009 nan 8.380 nan 0.000 0.426 326 A N 1.211 123.934 122.820 -0.161 0.000 1.933 326 A HA -0.081 4.239 4.320 0.001 0.000 0.218 326 A C 2.199 179.668 177.584 -0.192 0.000 1.175 326 A CA 0.815 52.733 52.037 -0.199 0.000 0.628 326 A CB -0.485 18.388 19.000 -0.211 0.000 0.814 326 A HN 0.324 nan 8.150 nan 0.000 0.444 327 I N -0.407 120.070 120.570 -0.156 0.000 2.202 327 I HA -0.244 3.926 4.170 0.001 0.000 0.242 327 I C 2.365 178.386 176.117 -0.160 0.000 1.091 327 I CA 1.018 62.207 61.300 -0.186 0.000 1.368 327 I CB -0.353 37.572 38.000 -0.125 0.000 1.058 327 I HN 0.285 nan 8.210 nan 0.000 0.410 328 L N 0.485 121.633 121.223 -0.126 0.000 2.012 328 L HA -0.247 4.093 4.340 0.001 0.000 0.210 328 L C 2.366 179.168 176.870 -0.114 0.000 1.073 328 L CA 1.378 56.150 54.840 -0.114 0.000 0.748 328 L CB -0.817 41.183 42.059 -0.099 0.000 0.891 328 L HN 0.352 nan 8.230 nan 0.000 0.431 329 N N 0.210 118.840 118.700 -0.117 0.000 2.142 329 N HA -0.178 4.562 4.740 0.001 0.000 0.186 329 N C 1.891 177.360 175.510 -0.069 0.000 1.023 329 N CA 1.351 54.343 53.050 -0.096 0.000 0.852 329 N CB -0.179 38.235 38.487 -0.121 0.000 0.998 329 N HN 0.324 nan 8.380 nan 0.000 0.424 330 I N 1.176 121.668 120.570 -0.129 0.000 2.394 330 I HA -0.175 3.996 4.170 0.001 0.000 0.251 330 I C 2.262 178.349 176.117 -0.050 0.000 1.136 330 I CA 0.840 62.071 61.300 -0.114 0.000 1.425 330 I CB 0.124 37.921 38.000 -0.338 0.000 1.079 330 I HN 0.029 nan 8.210 nan 0.000 0.425 331 R N -0.010 120.429 120.500 -0.101 0.000 2.073 331 R HA -0.250 4.091 4.340 0.001 0.000 0.234 331 R C 2.302 178.568 176.300 -0.057 0.000 1.134 331 R CA 1.956 58.005 56.100 -0.085 0.000 0.952 331 R CB -0.477 29.755 30.300 -0.114 0.000 0.850 331 R HN 0.504 nan 8.270 nan 0.000 0.433 332 Q N -0.000 119.763 119.800 -0.061 0.000 2.124 332 Q HA -0.210 4.130 4.340 0.001 0.000 0.202 332 Q C 1.845 177.885 176.000 0.067 0.000 0.977 332 Q CA 1.530 57.295 55.803 -0.063 0.000 0.850 332 Q CB -0.122 28.570 28.738 -0.077 0.000 0.901 332 Q HN 0.269 nan 8.270 nan 0.000 0.429 333 F N 1.273 121.194 119.950 -0.049 0.000 2.060 333 F HA -0.185 4.342 4.527 0.001 0.000 0.295 333 F C 2.403 178.224 175.800 0.034 0.000 1.120 333 F CA 2.038 60.027 58.000 -0.019 0.000 1.205 333 F CB -0.604 38.370 39.000 -0.044 0.000 0.986 333 F HN 0.148 nan 8.300 nan 0.000 0.470 334 Q N 0.543 120.332 119.800 -0.018 0.000 2.061 334 Q HA -0.048 4.292 4.340 0.001 0.000 0.204 334 Q C 2.424 178.385 176.000 -0.065 0.000 0.984 334 Q CA 2.206 57.968 55.803 -0.069 0.000 0.846 334 Q CB -1.253 27.530 28.738 0.075 0.000 0.902 334 Q HN 0.482 nan 8.270 nan 0.000 0.421 335 G N -0.936 107.866 108.800 0.002 0.000 2.491 335 G HA2 -0.309 3.651 3.960 0.001 0.000 0.218 335 G HA3 -0.309 3.651 3.960 0.001 0.000 0.218 335 G C 1.461 176.459 174.900 0.164 0.000 1.180 335 G CA 1.491 46.646 45.100 0.091 0.000 0.774 335 G HN 0.472 nan 8.290 nan 0.000 0.562 336 T N 0.821 115.477 114.554 0.170 0.000 2.708 336 T HA -0.112 4.239 4.350 0.001 0.000 0.266 336 T C 2.513 177.147 174.700 -0.110 0.000 1.037 336 T CA 1.475 63.606 62.100 0.052 0.000 1.146 336 T CB -0.185 68.743 68.868 0.100 0.000 0.865 336 T HN 0.164 nan 8.240 nan 0.000 0.435 337 Q N 0.988 120.674 119.800 -0.189 0.000 2.084 337 Q HA -0.014 4.326 4.340 0.001 0.000 0.202 337 Q C 2.394 178.333 176.000 -0.101 0.000 0.978 337 Q CA 1.136 56.826 55.803 -0.189 0.000 0.844 337 Q CB -0.248 28.280 28.738 -0.350 0.000 0.898 337 Q HN 0.394 nan 8.270 nan 0.000 0.426 338 K N 0.423 120.775 120.400 -0.080 0.000 2.155 338 K HA -0.049 4.271 4.320 0.001 0.000 0.203 338 K C 2.101 178.684 176.600 -0.028 0.000 1.052 338 K CA 0.293 56.559 56.287 -0.036 0.000 0.948 338 K CB -0.330 32.162 32.500 -0.013 0.000 0.728 338 K HN 0.123 nan 8.250 nan 0.000 0.448 339 L N 1.266 122.447 121.223 -0.071 0.000 2.056 339 L HA -0.022 4.319 4.340 0.001 0.000 0.207 339 L C 2.164 178.992 176.870 -0.069 0.000 1.078 339 L CA 1.729 56.508 54.840 -0.102 0.000 0.749 339 L CB -0.857 41.001 42.059 -0.335 0.000 0.901 339 L HN 0.101 nan 8.230 nan 0.000 0.433 340 A N -0.896 121.860 122.820 -0.107 0.000 1.902 340 A HA -0.302 4.019 4.320 0.001 0.000 0.217 340 A C 2.330 179.916 177.584 0.003 0.000 1.181 340 A CA 1.907 53.906 52.037 -0.062 0.000 0.623 340 A CB -0.759 18.204 19.000 -0.061 0.000 0.818 340 A HN 0.666 nan 8.150 nan 0.000 0.443 341 Q N -0.527 119.275 119.800 0.003 0.000 2.084 341 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 341 Q C 2.165 178.195 176.000 0.049 0.000 0.978 341 Q CA 1.709 57.526 55.803 0.023 0.000 0.844 341 Q CB -0.369 28.375 28.738 0.011 0.000 0.898 341 Q HN 0.584 nan 8.270 nan 0.000 0.426 342 A N 0.787 123.642 122.820 0.057 0.000 1.902 342 A HA -0.115 4.206 4.320 0.001 0.000 0.217 342 A C 2.289 179.957 177.584 0.140 0.000 1.181 342 A CA 1.683 53.777 52.037 0.095 0.000 0.623 342 A CB -0.986 18.072 19.000 0.096 0.000 0.818 342 A HN 0.581 nan 8.150 nan 0.000 0.443 343 A N -0.122 122.777 122.820 0.131 0.000 1.877 343 A HA -0.060 4.260 4.320 0.001 0.000 0.216 343 A C 2.177 179.851 177.584 0.150 0.000 1.186 343 A CA 1.535 53.657 52.037 0.140 0.000 0.620 343 A CB -0.650 18.410 19.000 0.099 0.000 0.822 343 A HN 0.472 nan 8.150 nan 0.000 0.443 344 L N -0.723 120.564 121.223 0.106 0.000 2.046 344 L HA -0.166 4.174 4.340 0.001 0.000 0.208 344 L C 2.562 179.477 176.870 0.074 0.000 1.077 344 L CA 1.012 55.902 54.840 0.083 0.000 0.747 344 L CB -0.571 41.526 42.059 0.062 0.000 0.896 344 L HN 0.371 nan 8.230 nan 0.000 0.432 345 L N -1.575 119.700 121.223 0.088 0.000 2.093 345 L HA -0.251 4.089 4.340 0.001 0.000 0.208 345 L C 2.631 179.564 176.870 0.105 0.000 1.085 345 L CA 1.118 56.006 54.840 0.080 0.000 0.755 345 L CB -0.601 41.506 42.059 0.080 0.000 0.904 345 L HN 0.216 nan 8.230 nan 0.000 0.435 346 Y N 0.527 120.841 120.300 0.024 0.000 2.145 346 Y HA -0.268 4.283 4.550 0.001 0.000 0.286 346 Y C 2.556 178.456 175.900 -0.000 0.000 1.145 346 Y CA 1.606 59.717 58.100 0.018 0.000 1.148 346 Y CB -0.173 38.298 38.460 0.020 0.000 0.981 346 Y HN 0.031 nan 8.280 nan 0.000 0.507 347 M N -0.541 119.015 119.600 -0.073 0.000 2.117 347 M HA -0.136 4.344 4.480 0.001 0.000 0.262 347 M C 2.439 178.655 176.300 -0.141 0.000 1.065 347 M CA 1.667 56.871 55.300 -0.160 0.000 1.114 347 M CB -0.908 31.677 32.600 -0.026 0.000 1.361 347 M HN 0.456 nan 8.290 nan 0.000 0.408 348 G N -0.485 108.275 108.800 -0.067 0.000 2.446 348 G HA2 -0.206 3.754 3.960 0.001 0.000 0.217 348 G HA3 -0.206 3.754 3.960 0.001 0.000 0.217 348 G C 1.595 176.453 174.900 -0.070 0.000 1.168 348 G CA 1.239 46.309 45.100 -0.050 0.000 0.771 348 G HN 0.423 nan 8.290 nan 0.000 0.551 349 S N 0.254 115.905 115.700 -0.081 0.000 2.399 349 S HA -0.070 4.400 4.470 0.001 0.000 0.231 349 S C 2.211 176.734 174.600 -0.128 0.000 1.022 349 S CA 1.596 59.751 58.200 -0.075 0.000 0.983 349 S CB -0.135 63.045 63.200 -0.033 0.000 0.803 349 S HN 0.382 nan 8.310 nan 0.000 0.480 350 K N 1.838 122.092 120.400 -0.242 0.000 2.025 350 K HA 0.073 4.394 4.320 0.001 0.000 0.207 350 K C 1.804 178.320 176.600 -0.141 0.000 1.049 350 K CA 1.212 57.351 56.287 -0.246 0.000 0.933 350 K CB -0.642 31.620 32.500 -0.396 0.000 0.714 350 K HN 0.284 nan 8.250 nan 0.000 0.438 351 L N 0.161 121.312 121.223 -0.121 0.000 2.012 351 L HA -0.212 4.128 4.340 0.001 0.000 0.210 351 L C 2.242 179.078 176.870 -0.057 0.000 1.073 351 L CA 1.898 56.692 54.840 -0.077 0.000 0.748 351 L CB -0.782 41.240 42.059 -0.062 0.000 0.891 351 L HN 0.266 nan 8.230 nan 0.000 0.431 352 T N -1.163 113.360 114.554 -0.051 0.000 2.759 352 T HA -0.173 4.178 4.350 0.001 0.000 0.269 352 T C 2.111 176.792 174.700 -0.032 0.000 1.042 352 T CA 1.670 63.750 62.100 -0.033 0.000 1.140 352 T CB -0.125 68.731 68.868 -0.020 0.000 0.864 352 T HN 0.271 nan 8.240 nan 0.000 0.455 353 S N 1.170 116.846 115.700 -0.041 0.000 2.402 353 S HA -0.087 4.383 4.470 0.001 0.000 0.229 353 S C 2.202 176.780 174.600 -0.036 0.000 1.021 353 S CA 0.777 58.956 58.200 -0.034 0.000 0.974 353 S CB -0.252 62.926 63.200 -0.037 0.000 0.800 353 S HN 0.552 nan 8.310 nan 0.000 0.484 354 Q N 0.794 120.569 119.800 -0.043 0.000 2.050 354 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 354 Q C 1.559 177.539 176.000 -0.034 0.000 0.980 354 Q CA 1.470 57.251 55.803 -0.037 0.000 0.840 354 Q CB -0.267 28.446 28.738 -0.041 0.000 0.898 354 Q HN 0.463 nan 8.270 nan 0.000 0.424 355 D N 0.625 121.004 120.400 -0.035 0.000 2.097 355 D HA -0.141 4.499 4.640 0.001 0.000 0.197 355 D C 1.637 177.912 176.300 -0.041 0.000 0.984 355 D CA 1.120 55.099 54.000 -0.034 0.000 0.826 355 D CB -0.172 40.611 40.800 -0.029 0.000 0.973 355 D HN 0.308 nan 8.370 nan 0.000 0.460 356 E N -0.010 120.165 120.200 -0.043 0.000 2.150 356 E HA -0.097 4.254 4.350 0.001 0.000 0.193 356 E C 1.972 178.526 176.600 -0.077 0.000 0.985 356 E CA 1.033 57.396 56.400 -0.062 0.000 0.814 356 E CB -0.021 29.648 29.700 -0.051 0.000 0.752 356 E HN 0.182 nan 8.360 nan 0.000 0.466 357 T N 1.250 115.774 114.554 -0.049 0.000 2.746 357 T HA -0.154 4.197 4.350 0.001 0.000 0.267 357 T C 1.711 176.395 174.700 -0.026 0.000 1.039 357 T CA 1.240 63.322 62.100 -0.029 0.000 1.142 357 T CB -0.064 68.798 68.868 -0.009 0.000 0.866 357 T HN 0.105 nan 8.240 nan 0.000 0.444 358 K N 0.653 121.034 120.400 -0.032 0.000 2.025 358 K HA -0.048 4.272 4.320 0.001 0.000 0.207 358 K C 2.518 179.085 176.600 -0.055 0.000 1.049 358 K CA 0.979 57.247 56.287 -0.032 0.000 0.933 358 K CB -0.026 32.455 32.500 -0.032 0.000 0.714 358 K HN 0.232 nan 8.250 nan 0.000 0.438 359 E N 0.905 121.061 120.200 -0.074 0.000 2.106 359 E HA -0.170 4.180 4.350 0.001 0.000 0.192 359 E C 2.041 178.538 176.600 -0.171 0.000 0.984 359 E CA 0.776 57.115 56.400 -0.101 0.000 0.806 359 E CB -0.163 29.482 29.700 -0.091 0.000 0.750 359 E HN 0.124 nan 8.360 nan 0.000 0.458 360 L N 1.170 122.266 121.223 -0.211 0.000 2.093 360 L HA -0.082 4.258 4.340 0.001 0.000 0.208 360 L C 2.088 178.715 176.870 -0.406 0.000 1.085 360 L CA 1.752 56.356 54.840 -0.392 0.000 0.755 360 L CB -0.817 41.026 42.059 -0.360 0.000 0.904 360 L HN 0.006 nan 8.230 nan 0.000 0.435 361 T N -0.249 114.237 114.554 -0.113 0.000 2.821 361 T HA -0.093 4.257 4.350 0.001 0.000 0.267 361 T C 1.923 176.620 174.700 -0.005 0.000 1.046 361 T CA 1.156 63.293 62.100 0.061 0.000 1.139 361 T CB -0.453 68.507 68.868 0.153 0.000 0.871 361 T HN 0.486 nan 8.240 nan 0.000 0.454 362 A N 1.221 124.006 122.820 -0.058 0.000 1.902 362 A HA 0.003 4.323 4.320 0.001 0.000 0.217 362 A C 2.277 179.829 177.584 -0.053 0.000 1.181 362 A CA 1.103 53.123 52.037 -0.030 0.000 0.623 362 A CB -0.772 18.200 19.000 -0.047 0.000 0.818 362 A HN 0.496 nan 8.150 nan 0.000 0.443 363 I N -1.478 118.980 120.570 -0.187 0.000 2.127 363 I HA -0.285 3.886 4.170 0.001 0.000 0.241 363 I C 2.364 178.356 176.117 -0.207 0.000 1.075 363 I CA 1.632 62.791 61.300 -0.235 0.000 1.334 363 I CB -0.421 37.352 38.000 -0.378 0.000 1.040 363 I HN 0.390 nan 8.210 nan 0.000 0.405 364 F N -0.402 119.367 119.950 -0.302 0.000 2.146 364 F HA -0.271 4.256 4.527 0.001 0.000 0.298 364 F C 2.697 178.163 175.800 -0.556 0.000 1.096 364 F CA 1.319 58.966 58.000 -0.589 0.000 1.275 364 F CB -0.562 37.720 39.000 -1.197 0.000 1.008 364 F HN 0.153 nan 8.300 nan 0.000 0.480 365 H N 0.813 119.724 119.070 -0.266 0.000 2.352 365 H HA -0.190 4.367 4.556 0.001 0.000 0.299 365 H C 2.224 177.548 175.328 -0.007 0.000 1.097 365 H CA 2.082 58.117 56.048 -0.021 0.000 1.311 365 H CB -0.119 29.682 29.762 0.066 0.000 1.377 365 H HN 0.080 nan 8.280 nan 0.000 0.504 366 K N -0.260 120.134 120.400 -0.009 0.000 2.097 366 K HA -0.122 4.199 4.320 0.001 0.000 0.205 366 K C 2.087 178.645 176.600 -0.069 0.000 1.050 366 K CA 1.594 57.853 56.287 -0.047 0.000 0.938 366 K CB -0.012 32.484 32.500 -0.008 0.000 0.718 366 K HN 0.359 nan 8.250 nan 0.000 0.442 367 M N 0.700 120.270 119.600 -0.049 0.000 2.296 367 M HA -0.102 4.378 4.480 0.001 0.000 0.265 367 M C 0.423 176.698 176.300 -0.043 0.000 1.064 367 M CA 0.739 56.022 55.300 -0.028 0.000 1.109 367 M CB -0.079 32.532 32.600 0.018 0.000 1.396 367 M HN -0.010 nan 8.290 nan 0.000 0.430 368 D N 1.307 121.669 120.400 -0.064 0.000 2.498 368 D HA 0.051 4.692 4.640 0.001 0.000 0.229 368 D C 0.564 176.817 176.300 -0.079 0.000 1.188 368 D CA 0.391 54.372 54.000 -0.032 0.000 1.028 368 D CB 0.372 41.222 40.800 0.083 0.000 1.087 368 D HN 0.108 nan 8.370 nan 0.000 0.510 369 K N 1.078 121.440 120.400 -0.062 0.000 2.228 369 K HA 0.023 4.344 4.320 0.001 0.000 0.202 369 K C 1.560 178.127 176.600 -0.054 0.000 1.051 369 K CA 0.391 56.640 56.287 -0.063 0.000 0.960 369 K CB 0.275 32.747 32.500 -0.046 0.000 0.743 369 K HN 0.242 nan 8.250 nan 0.000 0.458 370 N N 0.208 118.877 118.700 -0.051 0.000 2.216 370 N HA -0.078 4.662 4.740 0.001 0.000 0.183 370 N C 1.201 176.687 175.510 -0.040 0.000 1.017 370 N CA 1.508 54.527 53.050 -0.051 0.000 0.861 370 N CB 0.110 38.554 38.487 -0.072 0.000 0.986 370 N HN 0.356 nan 8.380 nan 0.000 0.428 371 G N 1.679 110.461 108.800 -0.031 0.000 2.136 371 G HA2 -0.252 3.708 3.960 0.001 0.000 0.242 371 G HA3 -0.252 3.708 3.960 0.001 0.000 0.242 371 G C 0.264 175.164 174.900 0.001 0.000 0.989 371 G CA 0.731 45.826 45.100 -0.008 0.000 0.682 371 G HN 0.554 nan 8.290 nan 0.000 0.522 372 D N -0.906 119.484 120.400 -0.017 0.000 2.350 372 D HA 0.372 5.013 4.640 0.001 0.000 0.213 372 D C 1.907 178.180 176.300 -0.044 0.000 1.031 372 D CA 0.760 54.737 54.000 -0.037 0.000 0.861 372 D CB -0.476 40.282 40.800 -0.070 0.000 0.926 372 D HN 1.502 nan 8.370 nan 0.000 0.520 373 G N -0.176 108.621 108.800 -0.005 0.000 2.168 373 G HA2 -0.302 3.659 3.960 0.001 0.000 0.263 373 G HA3 -0.302 3.659 3.960 0.001 0.000 0.263 373 G C -0.116 174.729 174.900 -0.092 0.000 0.977 373 G CA 0.187 45.222 45.100 -0.109 0.000 0.659 373 G HN 0.471 nan 8.290 nan 0.000 0.533 374 Q N -0.288 119.509 119.800 -0.004 0.000 2.327 374 Q HA 0.703 5.043 4.340 0.001 0.000 0.270 374 Q C -0.119 175.903 176.000 0.037 0.000 1.022 374 Q CA -0.477 55.333 55.803 0.011 0.000 0.773 374 Q CB 1.987 30.720 28.738 -0.008 0.000 1.251 374 Q HN 0.388 nan 8.270 nan 0.000 0.457 375 L N 1.416 122.677 121.223 0.063 0.000 2.303 375 L HA 0.501 4.841 4.340 0.001 0.000 0.266 375 L C -0.103 176.835 176.870 0.113 0.000 1.011 375 L CA -1.069 53.795 54.840 0.041 0.000 0.818 375 L CB 1.544 43.523 42.059 -0.134 0.000 1.326 375 L HN 0.652 nan 8.230 nan 0.000 0.435 376 D N -0.713 119.760 120.400 0.123 0.000 2.437 376 D HA 0.197 4.838 4.640 0.001 0.000 0.259 376 D C 0.841 177.097 176.300 -0.073 0.000 1.118 376 D CA -0.726 53.288 54.000 0.023 0.000 1.017 376 D CB 0.833 41.646 40.800 0.022 0.000 1.120 376 D HN 0.421 nan 8.370 nan 0.000 0.541 377 R N -0.109 120.338 120.500 -0.087 0.000 2.113 377 R HA -0.242 4.099 4.340 0.001 0.000 0.244 377 R C 1.964 178.229 176.300 -0.060 0.000 1.142 377 R CA 2.083 58.136 56.100 -0.080 0.000 0.953 377 R CB -0.746 29.517 30.300 -0.062 0.000 0.860 377 R HN 0.574 nan 8.270 nan 0.000 0.438 378 A N 0.820 123.618 122.820 -0.037 0.000 1.883 378 A HA -0.214 4.106 4.320 0.001 0.000 0.217 378 A C 1.962 179.543 177.584 -0.006 0.000 1.186 378 A CA 1.845 53.874 52.037 -0.013 0.000 0.624 378 A CB -0.531 18.466 19.000 -0.004 0.000 0.822 378 A HN 0.572 nan 8.150 nan 0.000 0.444 379 E N -0.246 119.943 120.200 -0.018 0.000 2.077 379 E HA -0.137 4.213 4.350 0.001 0.000 0.193 379 E C 1.971 178.569 176.600 -0.004 0.000 0.989 379 E CA 1.149 57.544 56.400 -0.008 0.000 0.800 379 E CB -0.301 29.384 29.700 -0.024 0.000 0.746 379 E HN 0.626 nan 8.360 nan 0.000 0.452 380 L N 0.645 121.785 121.223 -0.139 0.000 2.046 380 L HA -0.198 4.143 4.340 0.001 0.000 0.208 380 L C 2.428 179.331 176.870 0.056 0.000 1.077 380 L CA 0.961 55.654 54.840 -0.245 0.000 0.747 380 L CB -0.345 41.306 42.059 -0.680 0.000 0.896 380 L HN 0.168 nan 8.230 nan 0.000 0.432 381 I N -0.764 119.834 120.570 0.047 0.000 2.226 381 I HA -0.244 3.926 4.170 0.001 0.000 0.245 381 I C 2.729 178.930 176.117 0.140 0.000 1.100 381 I CA 1.028 62.396 61.300 0.114 0.000 1.374 381 I CB -0.298 37.736 38.000 0.057 0.000 1.057 381 I HN 0.280 nan 8.210 nan 0.000 0.413 382 E N 1.089 121.351 120.200 0.103 0.000 2.077 382 E HA -0.171 4.179 4.350 0.001 0.000 0.193 382 E C 2.215 178.875 176.600 0.100 0.000 0.989 382 E CA 1.510 57.962 56.400 0.086 0.000 0.800 382 E CB -0.347 29.387 29.700 0.058 0.000 0.746 382 E HN 0.510 nan 8.360 nan 0.000 0.452 383 G N -0.484 108.408 108.800 0.154 0.000 2.418 383 G HA2 -0.284 3.676 3.960 0.001 0.000 0.217 383 G HA3 -0.284 3.676 3.960 0.001 0.000 0.217 383 G C 1.676 176.557 174.900 -0.032 0.000 1.158 383 G CA 0.790 45.909 45.100 0.032 0.000 0.771 383 G HN 0.345 nan 8.290 nan 0.000 0.545 384 Y N 1.083 121.412 120.300 0.049 0.000 2.145 384 Y HA -0.080 4.470 4.550 0.001 0.000 0.286 384 Y C 3.019 178.941 175.900 0.037 0.000 1.145 384 Y CA 1.626 59.773 58.100 0.078 0.000 1.148 384 Y CB 0.086 38.678 38.460 0.221 0.000 0.981 384 Y HN 0.091 nan 8.280 nan 0.000 0.507 385 K N -0.001 120.555 120.400 0.259 0.000 2.103 385 K HA -0.273 4.047 4.320 0.001 0.000 0.207 385 K C 1.969 178.624 176.600 0.091 0.000 1.048 385 K CA 1.792 58.166 56.287 0.145 0.000 0.930 385 K CB -0.202 32.354 32.500 0.093 0.000 0.716 385 K HN 0.424 nan 8.250 nan 0.000 0.444 386 E N 0.985 121.216 120.200 0.053 0.000 2.110 386 E HA -0.201 4.149 4.350 0.001 0.000 0.193 386 E C 1.998 178.591 176.600 -0.012 0.000 0.988 386 E CA 0.628 57.031 56.400 0.005 0.000 0.804 386 E CB 0.035 29.717 29.700 -0.031 0.000 0.745 386 E HN 0.107 nan 8.360 nan 0.000 0.458 387 L N 0.460 121.667 121.223 -0.028 0.000 2.017 387 L HA -0.178 4.163 4.340 0.001 0.000 0.208 387 L C 2.151 179.033 176.870 0.020 0.000 1.073 387 L CA 1.665 56.475 54.840 -0.049 0.000 0.745 387 L CB -0.316 41.666 42.059 -0.128 0.000 0.894 387 L HN 0.242 nan 8.230 nan 0.000 0.432 388 M N -0.862 118.790 119.600 0.086 0.000 2.279 388 M HA -0.145 4.335 4.480 0.001 0.000 0.264 388 M C 2.342 178.678 176.300 0.059 0.000 1.062 388 M CA 1.477 56.831 55.300 0.092 0.000 1.099 388 M CB -1.164 31.508 32.600 0.121 0.000 1.394 388 M HN 0.306 nan 8.290 nan 0.000 0.426 389 R N -0.608 119.920 120.500 0.047 0.000 2.075 389 R HA 0.025 4.365 4.340 0.001 0.000 0.226 389 R C 2.260 178.576 176.300 0.027 0.000 1.114 389 R CA 0.993 57.116 56.100 0.038 0.000 0.972 389 R CB -0.308 30.011 30.300 0.032 0.000 0.869 389 R HN 0.288 nan 8.270 nan 0.000 0.437 390 M N 2.069 121.676 119.600 0.011 0.000 2.065 390 M HA -0.166 4.314 4.480 0.001 0.000 0.259 390 M C 0.137 176.439 176.300 0.004 0.000 1.069 390 M CA 1.663 56.962 55.300 -0.003 0.000 1.110 390 M CB 0.058 32.642 32.600 -0.026 0.000 1.328 390 M HN -0.139 nan 8.290 nan 0.000 0.405 391 K N 0.230 120.634 120.400 0.007 0.000 2.167 391 K HA 0.261 4.582 4.320 0.001 0.000 0.275 391 K C 0.897 177.518 176.600 0.035 0.000 1.103 391 K CA 0.179 56.475 56.287 0.015 0.000 0.963 391 K CB -0.090 32.417 32.500 0.012 0.000 1.243 391 K HN 0.305 nan 8.250 nan 0.000 0.407 392 G N 2.344 111.167 108.800 0.039 0.000 2.469 392 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 392 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 392 G C 0.794 175.754 174.900 0.100 0.000 1.136 392 G CA 0.414 45.555 45.100 0.068 0.000 0.759 392 G HN 0.627 nan 8.290 nan 0.000 0.562 393 Q N 1.108 120.954 119.800 0.076 0.000 2.837 393 Q HA 0.351 4.691 4.340 0.001 0.000 0.235 393 Q C -0.964 175.071 176.000 0.058 0.000 1.348 393 Q CA -0.186 55.666 55.803 0.083 0.000 0.990 393 Q CB -0.152 28.621 28.738 0.057 0.000 1.570 393 Q HN 0.365 nan 8.270 nan 0.000 0.575 394 D N 0.419 120.852 120.400 0.055 0.000 2.414 394 D HA 0.684 5.324 4.640 0.001 0.000 0.241 394 D C -0.851 175.455 176.300 0.009 0.000 1.008 394 D CA -0.579 53.443 54.000 0.037 0.000 1.001 394 D CB 1.267 42.094 40.800 0.045 0.000 1.277 394 D HN 0.435 nan 8.370 nan 0.000 0.538 395 A N 0.381 123.206 122.820 0.008 0.000 2.429 395 A HA 0.222 4.543 4.320 0.001 0.000 0.242 395 A C 1.433 179.000 177.584 -0.029 0.000 1.088 395 A CA 0.557 52.586 52.037 -0.013 0.000 0.784 395 A CB 0.115 19.117 19.000 0.005 0.000 1.038 395 A HN 0.511 nan 8.150 nan 0.000 0.501 396 S N 0.051 115.723 115.700 -0.047 0.000 2.419 396 S HA -0.105 4.365 4.470 0.001 0.000 0.235 396 S C 1.035 175.636 174.600 0.003 0.000 1.019 396 S CA 1.614 59.792 58.200 -0.036 0.000 0.982 396 S CB -0.706 62.489 63.200 -0.008 0.000 0.789 396 S HN 0.565 nan 8.310 nan 0.000 0.490 402 A N 1.748 124.550 122.820 -0.031 0.000 2.251 402 A HA 0.406 4.727 4.320 0.001 0.000 0.209 402 A C 1.917 179.445 177.584 -0.094 0.000 1.187 402 A CA 0.818 52.833 52.037 -0.037 0.000 0.823 402 A CB -0.667 18.318 19.000 -0.025 0.000 0.846 402 A HN 0.679 nan 8.150 nan 0.000 0.486 403 V N -1.905 117.915 119.914 -0.157 0.000 2.323 403 V HA -0.193 3.927 4.120 0.001 0.000 0.244 403 V C 2.047 178.051 176.094 -0.150 0.000 1.041 403 V CA 2.190 64.288 62.300 -0.336 0.000 1.025 403 V CB -0.962 30.679 31.823 -0.304 0.000 0.656 403 V HN 0.615 nan 8.190 nan 0.000 0.451 404 E N 0.361 120.541 120.200 -0.033 0.000 2.077 404 E HA -0.330 4.020 4.350 0.001 0.000 0.193 404 E C 2.246 178.874 176.600 0.046 0.000 0.989 404 E CA 1.743 58.156 56.400 0.022 0.000 0.800 404 E CB -0.352 29.366 29.700 0.031 0.000 0.746 404 E HN 0.854 nan 8.360 nan 0.000 0.452 405 H N 0.360 119.413 119.070 -0.028 0.000 2.326 405 H HA -0.052 4.505 4.556 0.001 0.000 0.301 405 H C 2.059 177.381 175.328 -0.010 0.000 1.081 405 H CA 1.820 57.859 56.048 -0.016 0.000 1.334 405 H CB 0.137 29.887 29.762 -0.020 0.000 1.385 405 H HN 0.113 nan 8.280 nan 0.000 0.504 406 E N 0.097 120.301 120.200 0.006 0.000 2.070 406 E HA -0.161 4.189 4.350 0.001 0.000 0.197 406 E C 2.496 179.092 176.600 -0.006 0.000 1.004 406 E CA 1.303 57.672 56.400 -0.051 0.000 0.805 406 E CB -0.410 29.206 29.700 -0.141 0.000 0.744 406 E HN 0.353 nan 8.360 nan 0.000 0.451 407 V N 2.054 122.020 119.914 0.088 0.000 2.255 407 V HA -0.273 3.847 4.120 0.001 0.000 0.247 407 V C 2.011 178.212 176.094 0.178 0.000 1.051 407 V CA 2.186 64.679 62.300 0.321 0.000 1.018 407 V CB -0.500 31.483 31.823 0.267 0.000 0.641 407 V HN 0.174 nan 8.190 nan 0.000 0.445 408 D N -0.777 119.634 120.400 0.019 0.000 2.144 408 D HA -0.152 4.488 4.640 0.001 0.000 0.199 408 D C 2.366 178.612 176.300 -0.090 0.000 0.984 408 D CA 0.984 54.953 54.000 -0.052 0.000 0.834 408 D CB -0.180 40.553 40.800 -0.111 0.000 0.955 408 D HN 0.413 nan 8.370 nan 0.000 0.465 409 Q N 0.324 120.027 119.800 -0.162 0.000 2.119 409 Q HA -0.055 4.285 4.340 0.001 0.000 0.201 409 Q C 2.542 178.519 176.000 -0.039 0.000 0.972 409 Q CA 0.439 56.164 55.803 -0.131 0.000 0.847 409 Q CB -0.382 28.252 28.738 -0.173 0.000 0.903 409 Q HN 0.234 nan 8.270 nan 0.000 0.433 410 V N 1.299 121.201 119.914 -0.020 0.000 2.307 410 V HA -0.229 3.891 4.120 0.001 0.000 0.245 410 V C 2.443 178.577 176.094 0.067 0.000 1.045 410 V CA 1.314 63.598 62.300 -0.027 0.000 1.024 410 V CB -0.638 31.057 31.823 -0.215 0.000 0.651 410 V HN 0.260 nan 8.190 nan 0.000 0.449 411 L N 0.111 121.410 121.223 0.127 0.000 2.083 411 L HA -0.224 4.116 4.340 0.001 0.000 0.209 411 L C 2.372 179.276 176.870 0.057 0.000 1.083 411 L CA 2.100 57.006 54.840 0.109 0.000 0.752 411 L CB -0.746 41.358 42.059 0.076 0.000 0.899 411 L HN 0.434 nan 8.230 nan 0.000 0.433 412 D N 0.119 120.537 120.400 0.031 0.000 2.133 412 D HA -0.221 4.419 4.640 0.001 0.000 0.195 412 D C 2.122 178.521 176.300 0.166 0.000 0.997 412 D CA 1.570 55.612 54.000 0.071 0.000 0.840 412 D CB 0.166 41.002 40.800 0.059 0.000 0.947 412 D HN 0.288 nan 8.370 nan 0.000 0.452 413 A N -0.448 122.434 122.820 0.103 0.000 1.897 413 A HA -0.022 4.298 4.320 0.001 0.000 0.215 413 A C 2.451 180.087 177.584 0.087 0.000 1.181 413 A CA 1.347 53.437 52.037 0.088 0.000 0.620 413 A CB -0.577 18.451 19.000 0.046 0.000 0.821 413 A HN 0.217 nan 8.150 nan 0.000 0.443 414 V N -0.105 119.860 119.914 0.085 0.000 2.407 414 V HA -0.034 4.086 4.120 0.001 0.000 0.245 414 V C 0.604 176.751 176.094 0.089 0.000 1.041 414 V CA 1.908 64.259 62.300 0.085 0.000 1.040 414 V CB -0.410 31.479 31.823 0.110 0.000 0.671 414 V HN 0.637 nan 8.190 nan 0.000 0.455 415 D N -1.908 118.549 120.400 0.096 0.000 2.328 415 D HA 0.160 4.801 4.640 0.001 0.000 0.243 415 D C 0.219 176.581 176.300 0.102 0.000 1.324 415 D CA -0.584 53.470 54.000 0.091 0.000 0.966 415 D CB 0.506 41.338 40.800 0.053 0.000 1.324 415 D HN 0.035 nan 8.370 nan 0.000 0.549 416 F N 2.391 122.344 119.950 0.005 0.000 2.095 416 F HA -0.147 4.381 4.527 0.001 0.000 0.298 416 F C 1.533 177.329 175.800 -0.005 0.000 1.104 416 F CA 1.667 59.667 58.000 0.000 0.000 1.232 416 F CB 0.352 39.352 39.000 0.000 0.000 0.987 416 F HN 0.280 nan 8.300 nan 0.000 0.475 417 D N 0.349 120.828 120.400 0.131 0.000 2.264 417 D HA -0.131 4.509 4.640 0.001 0.000 0.208 417 D C 0.699 176.960 176.300 -0.066 0.000 0.966 417 D CA 0.969 54.989 54.000 0.033 0.000 0.864 417 D CB -0.180 40.669 40.800 0.081 0.000 0.933 417 D HN 0.117 nan 8.370 nan 0.000 0.499 418 K N 0.808 121.167 120.400 -0.069 0.000 3.150 418 K HA -0.177 4.144 4.320 0.001 0.000 0.267 418 K C 0.442 176.989 176.600 -0.087 0.000 1.028 418 K CA 0.100 56.333 56.287 -0.090 0.000 0.753 418 K CB -2.136 30.289 32.500 -0.124 0.000 1.288 418 K HN 0.175 nan 8.250 nan 0.000 0.473 419 N N -0.200 118.466 118.700 -0.056 0.000 2.104 419 N HA -0.139 4.602 4.740 0.001 0.000 0.190 419 N C 1.532 176.975 175.510 -0.112 0.000 1.024 419 N CA 1.997 55.015 53.050 -0.053 0.000 0.853 419 N CB 0.215 38.695 38.487 -0.011 0.000 1.008 419 N HN 0.701 nan 8.380 nan 0.000 0.424 420 G N -2.218 106.478 108.800 -0.172 0.000 3.249 420 G HA2 0.131 4.092 3.960 0.001 0.000 0.124 420 G HA3 0.131 4.092 3.960 0.001 0.000 0.124 420 G C -1.114 173.469 174.900 -0.528 0.000 1.128 420 G CA -0.489 44.354 45.100 -0.430 0.000 1.461 420 G HN 0.127 nan 8.290 nan 0.000 0.683 421 Y N 0.782 121.070 120.300 -0.020 0.000 2.488 421 Y HA 0.778 5.328 4.550 0.001 0.000 0.325 421 Y C 0.283 176.168 175.900 -0.024 0.000 1.204 421 Y CA -0.991 57.092 58.100 -0.029 0.000 1.229 421 Y CB 1.641 40.084 38.460 -0.028 0.000 1.274 421 Y HN 0.086 nan 8.280 nan 0.000 0.493 422 I N 1.360 122.004 120.570 0.123 0.000 2.465 422 I HA 0.175 4.345 4.170 0.001 0.000 0.291 422 I C -0.389 175.751 176.117 0.039 0.000 1.014 422 I CA -1.271 60.066 61.300 0.062 0.000 1.093 422 I CB 1.699 39.719 38.000 0.034 0.000 1.267 422 I HN 0.589 nan 8.210 nan 0.000 0.431 423 E N 5.364 125.578 120.200 0.024 0.000 2.341 423 E HA -0.099 4.251 4.350 0.001 0.000 0.256 423 E C 0.586 177.178 176.600 -0.012 0.000 1.125 423 E CA 0.131 56.506 56.400 -0.042 0.000 0.939 423 E CB 0.292 29.969 29.700 -0.039 0.000 0.991 423 E HN 0.536 nan 8.360 nan 0.000 0.458 424 Y N 2.533 122.796 120.300 -0.061 0.000 2.403 424 Y HA -0.210 4.340 4.550 0.001 0.000 0.291 424 Y C 1.938 177.898 175.900 0.100 0.000 1.143 424 Y CA 1.096 59.109 58.100 -0.145 0.000 1.257 424 Y CB -0.677 37.505 38.460 -0.463 0.000 0.984 424 Y HN 0.370 nan 8.280 nan 0.000 0.550 425 S N 0.252 115.906 115.700 -0.076 0.000 2.368 425 S HA -0.236 4.234 4.470 0.001 0.000 0.225 425 S C 1.702 176.373 174.600 0.118 0.000 1.030 425 S CA 1.329 59.562 58.200 0.054 0.000 0.999 425 S CB -0.718 62.419 63.200 -0.106 0.000 0.844 425 S HN 0.688 nan 8.310 nan 0.000 0.459 426 E N 0.314 120.562 120.200 0.081 0.000 2.110 426 E HA -0.078 4.273 4.350 0.001 0.000 0.193 426 E C 1.765 178.453 176.600 0.145 0.000 0.988 426 E CA 1.221 57.676 56.400 0.092 0.000 0.804 426 E CB -0.305 29.437 29.700 0.070 0.000 0.745 426 E HN 0.676 nan 8.360 nan 0.000 0.458 427 F N 1.287 121.282 119.950 0.073 0.000 2.102 427 F HA -0.223 4.304 4.527 0.001 0.000 0.298 427 F C 2.154 178.053 175.800 0.164 0.000 1.105 427 F CA 1.063 59.127 58.000 0.106 0.000 1.239 427 F CB -0.190 38.851 39.000 0.069 0.000 0.991 427 F HN -0.220 nan 8.300 nan 0.000 0.474 428 V N 0.255 120.413 119.914 0.408 0.000 2.287 428 V HA -0.370 3.750 4.120 0.001 0.000 0.248 428 V C 2.329 178.459 176.094 0.061 0.000 1.053 428 V CA 2.502 64.971 62.300 0.282 0.000 1.027 428 V CB -1.248 30.784 31.823 0.349 0.000 0.646 428 V HN 0.468 nan 8.190 nan 0.000 0.447 429 T N 0.182 114.773 114.554 0.063 0.000 2.622 429 T HA -0.194 4.156 4.350 0.001 0.000 0.266 429 T C 1.911 176.596 174.700 -0.025 0.000 1.047 429 T CA 1.906 64.019 62.100 0.020 0.000 1.159 429 T CB -0.407 68.479 68.868 0.029 0.000 0.863 429 T HN 0.305 nan 8.240 nan 0.000 0.422 430 V N 1.738 121.615 119.914 -0.061 0.000 2.490 430 V HA -0.142 3.978 4.120 0.001 0.000 0.250 430 V C 2.852 178.862 176.094 -0.141 0.000 1.061 430 V CA 1.519 63.764 62.300 -0.091 0.000 1.064 430 V CB -1.300 30.463 31.823 -0.099 0.000 0.670 430 V HN 0.544 nan 8.190 nan 0.000 0.461 431 A N -0.390 122.277 122.820 -0.256 0.000 1.873 431 A HA -0.145 4.176 4.320 0.001 0.000 0.215 431 A C 2.236 179.815 177.584 -0.009 0.000 1.186 431 A CA 1.925 53.853 52.037 -0.182 0.000 0.616 431 A CB -0.329 18.495 19.000 -0.294 0.000 0.823 431 A HN 0.404 nan 8.150 nan 0.000 0.442 432 M N -0.398 119.188 119.600 -0.024 0.000 2.276 432 M HA -0.029 4.451 4.480 0.001 0.000 0.262 432 M C 1.868 178.176 176.300 0.013 0.000 1.098 432 M CA 1.505 56.808 55.300 0.006 0.000 1.167 432 M CB -1.363 31.232 32.600 -0.009 0.000 1.337 432 M HN 0.629 nan 8.290 nan 0.000 0.446 433 D N 1.164 121.567 120.400 0.005 0.000 2.350 433 D HA -0.184 4.456 4.640 0.001 0.000 0.216 433 D C 1.879 178.194 176.300 0.026 0.000 0.968 433 D CA 0.901 54.911 54.000 0.016 0.000 0.894 433 D CB 0.258 41.066 40.800 0.014 0.000 0.909 433 D HN 0.511 nan 8.370 nan 0.000 0.520 434 R N 0.627 121.138 120.500 0.018 0.000 2.146 434 R HA 0.045 4.386 4.340 0.001 0.000 0.206 434 R C 2.347 178.672 176.300 0.042 0.000 1.049 434 R CA 0.364 56.480 56.100 0.027 0.000 1.029 434 R CB -0.417 29.890 30.300 0.011 0.000 0.949 434 R HN -0.096 nan 8.270 nan 0.000 0.471 435 K N 1.480 121.908 120.400 0.047 0.000 2.360 435 K HA -0.074 4.246 4.320 0.001 0.000 0.201 435 K C 0.996 177.634 176.600 0.063 0.000 1.046 435 K CA 1.725 58.050 56.287 0.064 0.000 0.945 435 K CB -0.052 32.504 32.500 0.094 0.000 0.750 435 K HN 0.427 nan 8.250 nan 0.000 0.464 436 T N -0.684 113.905 114.554 0.059 0.000 3.160 436 T HA -0.047 4.304 4.350 0.001 0.000 0.257 436 T C 1.535 176.295 174.700 0.099 0.000 1.147 436 T CA 0.206 62.349 62.100 0.072 0.000 1.064 436 T CB -0.048 68.858 68.868 0.063 0.000 0.949 436 T HN 0.120 nan 8.240 nan 0.000 0.526 437 L N 1.044 122.316 121.223 0.082 0.000 2.012 437 L HA 0.052 4.392 4.340 0.001 0.000 0.210 437 L C 2.302 179.222 176.870 0.083 0.000 1.073 437 L CA 1.535 56.423 54.840 0.080 0.000 0.748 437 L CB -0.912 41.184 42.059 0.060 0.000 0.891 437 L HN 0.340 nan 8.230 nan 0.000 0.431 438 L N -0.919 120.349 121.223 0.074 0.000 1.997 438 L HA -0.347 3.994 4.340 0.001 0.000 0.216 438 L C 2.668 179.591 176.870 0.088 0.000 1.074 438 L CA 2.204 57.086 54.840 0.070 0.000 0.763 438 L CB -0.407 41.689 42.059 0.061 0.000 0.890 438 L HN 0.656 nan 8.230 nan 0.000 0.434 439 S N -1.134 114.636 115.700 0.116 0.000 2.387 439 S HA -0.157 4.313 4.470 0.001 0.000 0.226 439 S C 1.988 176.716 174.600 0.212 0.000 1.026 439 S CA 0.582 58.882 58.200 0.166 0.000 0.972 439 S CB -0.416 62.898 63.200 0.191 0.000 0.814 439 S HN 0.418 nan 8.310 nan 0.000 0.477 440 R N 1.186 121.816 120.500 0.216 0.000 2.075 440 R HA 0.044 4.384 4.340 0.001 0.000 0.232 440 R C 2.528 178.886 176.300 0.096 0.000 1.126 440 R CA 1.631 57.838 56.100 0.178 0.000 0.963 440 R CB -0.267 30.149 30.300 0.194 0.000 0.858 440 R HN 0.604 nan 8.270 nan 0.000 0.435 441 E N 0.033 120.275 120.200 0.071 0.000 2.106 441 E HA -0.174 4.176 4.350 0.001 0.000 0.192 441 E C 2.074 178.683 176.600 0.014 0.000 0.984 441 E CA 0.651 57.064 56.400 0.021 0.000 0.806 441 E CB -0.008 29.706 29.700 0.024 0.000 0.750 441 E HN 0.199 nan 8.360 nan 0.000 0.458 442 R N 0.794 121.323 120.500 0.048 0.000 2.092 442 R HA -0.151 4.189 4.340 0.001 0.000 0.231 442 R C 2.376 178.712 176.300 0.060 0.000 1.119 442 R CA 0.822 56.952 56.100 0.050 0.000 0.970 442 R CB -0.153 30.187 30.300 0.066 0.000 0.864 442 R HN 0.118 nan 8.270 nan 0.000 0.440 443 L N 1.387 122.659 121.223 0.082 0.000 2.017 443 L HA -0.138 4.202 4.340 0.001 0.000 0.208 443 L C 2.183 179.132 176.870 0.132 0.000 1.073 443 L CA 2.041 56.956 54.840 0.124 0.000 0.745 443 L CB -0.532 41.557 42.059 0.050 0.000 0.894 443 L HN 0.254 nan 8.230 nan 0.000 0.432 444 E N -0.802 119.366 120.200 -0.052 0.000 2.077 444 E HA -0.252 4.098 4.350 0.001 0.000 0.193 444 E C 2.355 178.842 176.600 -0.189 0.000 0.989 444 E CA 1.139 57.253 56.400 -0.476 0.000 0.800 444 E CB -0.051 29.230 29.700 -0.698 0.000 0.746 444 E HN 0.430 nan 8.360 nan 0.000 0.452 445 R N -0.159 120.293 120.500 -0.080 0.000 2.081 445 R HA -0.129 4.212 4.340 0.001 0.000 0.235 445 R C 2.388 178.700 176.300 0.020 0.000 1.131 445 R CA 1.202 57.285 56.100 -0.028 0.000 0.960 445 R CB -0.301 29.992 30.300 -0.011 0.000 0.856 445 R HN 0.172 nan 8.270 nan 0.000 0.436 446 A N 0.407 123.257 122.820 0.050 0.000 1.933 446 A HA -0.182 4.138 4.320 0.001 0.000 0.218 446 A C 1.947 179.585 177.584 0.090 0.000 1.175 446 A CA 1.013 53.088 52.037 0.063 0.000 0.628 446 A CB -0.588 18.450 19.000 0.063 0.000 0.814 446 A HN 0.375 nan 8.150 nan 0.000 0.444 447 F N 0.596 120.528 119.950 -0.030 0.000 2.102 447 F HA -0.188 4.339 4.527 0.001 0.000 0.298 447 F C 2.450 178.250 175.800 0.002 0.000 1.105 447 F CA 1.743 59.725 58.000 -0.030 0.000 1.239 447 F CB 0.010 39.026 39.000 0.026 0.000 0.991 447 F HN 0.060 nan 8.300 nan 0.000 0.474 448 R N -0.068 120.537 120.500 0.175 0.000 2.073 448 R HA -0.180 4.160 4.340 0.001 0.000 0.234 448 R C 2.162 178.459 176.300 -0.005 0.000 1.134 448 R CA 1.724 57.869 56.100 0.075 0.000 0.952 448 R CB -1.372 28.944 30.300 0.026 0.000 0.850 448 R HN 0.374 nan 8.270 nan 0.000 0.433 449 M N 0.002 119.605 119.600 0.005 0.000 2.080 449 M HA -0.165 4.316 4.480 0.001 0.000 0.260 449 M C 1.999 178.279 176.300 -0.034 0.000 1.068 449 M CA 1.581 56.874 55.300 -0.013 0.000 1.109 449 M CB -0.454 32.150 32.600 0.007 0.000 1.342 449 M HN 0.103 nan 8.290 nan 0.000 0.405 450 F N 0.494 120.334 119.950 -0.183 0.000 2.126 450 F HA -0.182 4.345 4.527 0.001 0.000 0.299 450 F C 0.948 176.585 175.800 -0.272 0.000 1.096 450 F CA 1.529 59.383 58.000 -0.243 0.000 1.255 450 F CB -0.371 38.427 39.000 -0.335 0.000 0.997 450 F HN 0.126 nan 8.300 nan 0.000 0.479 451 D N 0.194 120.443 120.400 -0.252 0.000 2.600 451 D HA 0.034 4.674 4.640 0.001 0.000 0.226 451 D C 1.370 177.539 176.300 -0.219 0.000 1.119 451 D CA 0.566 54.390 54.000 -0.294 0.000 1.051 451 D CB -0.090 40.571 40.800 -0.233 0.000 1.106 451 D HN 0.323 nan 8.370 nan 0.000 0.491 452 S N 1.122 116.658 115.700 -0.275 0.000 2.423 452 S HA -0.158 4.312 4.470 0.001 0.000 0.231 452 S C 1.218 175.737 174.600 -0.136 0.000 1.014 452 S CA 0.552 58.638 58.200 -0.190 0.000 0.965 452 S CB 0.104 63.178 63.200 -0.211 0.000 0.785 452 S HN 0.252 nan 8.310 nan 0.000 0.495 453 D N 1.700 122.017 120.400 -0.138 0.000 2.340 453 D HA 0.181 4.822 4.640 0.001 0.000 0.220 453 D C -0.149 176.113 176.300 -0.063 0.000 1.039 453 D CA 0.070 54.015 54.000 -0.092 0.000 0.866 453 D CB -0.490 40.256 40.800 -0.090 0.000 0.913 453 D HN 0.301 nan 8.370 nan 0.000 0.523 454 N N -0.545 118.117 118.700 -0.062 0.000 2.721 454 N HA -0.203 4.537 4.740 0.001 0.000 0.249 454 N C 1.039 176.546 175.510 -0.004 0.000 1.072 454 N CA 0.951 53.986 53.050 -0.026 0.000 0.710 454 N CB -1.795 36.682 38.487 -0.018 0.000 0.993 454 N HN 0.235 nan 8.380 nan 0.000 0.547 455 S N -1.889 113.803 115.700 -0.012 0.000 2.428 455 S HA 0.151 4.621 4.470 0.001 0.000 0.230 455 S C 1.825 176.461 174.600 0.060 0.000 1.014 455 S CA 1.126 59.334 58.200 0.012 0.000 0.957 455 S CB 0.021 63.218 63.200 -0.005 0.000 0.784 455 S HN 1.305 nan 8.310 nan 0.000 0.499 456 G N 0.769 109.629 108.800 0.100 0.000 2.179 456 G HA2 -0.236 3.724 3.960 0.001 0.000 0.260 456 G HA3 -0.236 3.724 3.960 0.001 0.000 0.260 456 G C -0.074 175.009 174.900 0.306 0.000 0.977 456 G CA 0.513 45.741 45.100 0.213 0.000 0.641 456 G HN 0.653 nan 8.290 nan 0.000 0.533 457 K N -0.632 119.885 120.400 0.196 0.000 2.477 457 K HA 0.731 5.051 4.320 0.001 0.000 0.255 457 K C -0.681 175.965 176.600 0.076 0.000 0.952 457 K CA -0.979 55.431 56.287 0.205 0.000 0.826 457 K CB 2.297 34.878 32.500 0.136 0.000 1.331 457 K HN 0.111 nan 8.250 nan 0.000 0.437 458 I N 1.767 122.388 120.570 0.085 0.000 2.433 458 I HA 0.139 4.309 4.170 0.001 0.000 0.292 458 I C 0.504 176.645 176.117 0.040 0.000 1.001 458 I CA -0.532 60.764 61.300 -0.006 0.000 1.119 458 I CB 2.024 39.910 38.000 -0.190 0.000 1.289 458 I HN 0.700 nan 8.210 nan 0.000 0.438 459 S N 3.405 119.132 115.700 0.045 0.000 2.624 459 S HA 0.212 4.683 4.470 0.001 0.000 0.263 459 S C 1.027 175.674 174.600 0.079 0.000 1.287 459 S CA -0.533 57.707 58.200 0.067 0.000 0.990 459 S CB 1.588 64.824 63.200 0.059 0.000 0.950 459 S HN 0.598 nan 8.310 nan 0.000 0.561 460 S N 0.912 116.694 115.700 0.136 0.000 2.382 460 S HA -0.088 4.383 4.470 0.001 0.000 0.228 460 S C 1.924 176.644 174.600 0.200 0.000 1.027 460 S CA 1.739 60.073 58.200 0.223 0.000 0.991 460 S CB -0.893 62.476 63.200 0.281 0.000 0.823 460 S HN 0.864 nan 8.310 nan 0.000 0.469 461 T N 2.067 116.708 114.554 0.145 0.000 2.746 461 T HA -0.095 4.256 4.350 0.001 0.000 0.267 461 T C 1.697 176.450 174.700 0.087 0.000 1.039 461 T CA 1.247 63.424 62.100 0.128 0.000 1.142 461 T CB -0.282 68.645 68.868 0.098 0.000 0.866 461 T HN 0.514 nan 8.240 nan 0.000 0.444 462 E N 0.747 120.981 120.200 0.057 0.000 2.072 462 E HA -0.016 4.334 4.350 0.001 0.000 0.191 462 E C 2.275 178.791 176.600 -0.140 0.000 0.985 462 E CA 0.726 57.149 56.400 0.038 0.000 0.801 462 E CB -0.287 29.499 29.700 0.143 0.000 0.750 462 E HN 0.377 nan 8.360 nan 0.000 0.452 463 L N 0.690 121.786 121.223 -0.211 0.000 2.042 463 L HA -0.244 4.096 4.340 0.001 0.000 0.210 463 L C 2.597 179.189 176.870 -0.463 0.000 1.076 463 L CA 1.063 55.626 54.840 -0.462 0.000 0.749 463 L CB -0.533 41.222 42.059 -0.507 0.000 0.893 463 L HN 0.182 nan 8.230 nan 0.000 0.432 464 A N -0.412 122.338 122.820 -0.116 0.000 1.883 464 A HA -0.217 4.103 4.320 0.001 0.000 0.217 464 A C 2.346 180.003 177.584 0.121 0.000 1.186 464 A CA 2.433 54.595 52.037 0.209 0.000 0.624 464 A CB -0.917 18.299 19.000 0.360 0.000 0.822 464 A HN 0.409 nan 8.150 nan 0.000 0.444 465 T N 0.338 114.920 114.554 0.047 0.000 2.674 465 T HA -0.106 4.244 4.350 0.001 0.000 0.265 465 T C 1.831 176.511 174.700 -0.033 0.000 1.039 465 T CA 1.583 63.711 62.100 0.048 0.000 1.150 465 T CB -0.451 68.454 68.868 0.062 0.000 0.864 465 T HN 0.405 nan 8.240 nan 0.000 0.427 466 I N 0.172 120.617 120.570 -0.207 0.000 2.163 466 I HA -0.167 4.003 4.170 0.001 0.000 0.243 466 I C 2.050 177.992 176.117 -0.292 0.000 1.085 466 I CA 1.501 62.589 61.300 -0.354 0.000 1.347 466 I CB -0.375 37.228 38.000 -0.662 0.000 1.044 466 I HN 0.134 nan 8.210 nan 0.000 0.408 467 F N 0.678 120.524 119.950 -0.174 0.000 2.259 467 F HA -0.007 4.520 4.527 0.001 0.000 0.298 467 F C 2.481 178.299 175.800 0.029 0.000 1.088 467 F CA 1.090 59.020 58.000 -0.117 0.000 1.358 467 F CB -1.414 37.370 39.000 -0.360 0.000 1.040 467 F HN -0.003 nan 8.300 nan 0.000 0.505 468 G N 0.011 108.947 108.800 0.227 0.000 2.446 468 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 468 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 468 G C 1.860 176.848 174.900 0.147 0.000 1.168 468 G CA 1.256 46.478 45.100 0.204 0.000 0.771 468 G HN 0.238 nan 8.290 nan 0.000 0.551 469 V N 1.130 121.111 119.914 0.111 0.000 2.392 469 V HA -0.152 3.969 4.120 0.001 0.000 0.249 469 V C 2.831 178.974 176.094 0.082 0.000 1.059 469 V CA 2.140 64.496 62.300 0.093 0.000 1.051 469 V CB -0.326 31.547 31.823 0.084 0.000 0.658 469 V HN 0.340 nan 8.190 nan 0.000 0.455 470 S N -1.196 114.562 115.700 0.098 0.000 2.603 470 S HA 0.003 4.474 4.470 0.001 0.000 0.220 470 S C 0.900 175.581 174.600 0.136 0.000 0.967 470 S CA 0.599 58.868 58.200 0.115 0.000 0.920 470 S CB -0.396 62.893 63.200 0.149 0.000 0.773 470 S HN 0.738 nan 8.310 nan 0.000 0.529 471 D N 0.856 121.339 120.400 0.138 0.000 2.800 471 D HA -0.148 4.492 4.640 0.001 0.000 0.232 471 D C -0.825 175.559 176.300 0.140 0.000 1.137 471 D CA 0.282 54.356 54.000 0.123 0.000 0.718 471 D CB -1.594 39.255 40.800 0.082 0.000 1.084 471 D HN 0.188 nan 8.370 nan 0.000 0.432 472 V N 1.433 121.472 119.914 0.208 0.000 2.350 472 V HA 0.214 4.334 4.120 0.001 0.000 0.276 472 V C 0.765 176.997 176.094 0.230 0.000 1.028 472 V CA -0.896 61.516 62.300 0.186 0.000 0.860 472 V CB 1.578 33.506 31.823 0.176 0.000 0.990 472 V HN 0.263 nan 8.190 nan 0.000 0.453 473 D N 3.722 124.200 120.400 0.130 0.000 2.506 473 D HA -0.027 4.613 4.640 0.001 0.000 0.234 473 D C 1.221 177.562 176.300 0.069 0.000 1.143 473 D CA 0.412 54.466 54.000 0.090 0.000 0.871 473 D CB 1.380 42.188 40.800 0.014 0.000 1.190 473 D HN 0.546 nan 8.370 nan 0.000 0.459 474 S N 3.878 119.592 115.700 0.024 0.000 2.359 474 S HA -0.221 4.249 4.470 0.001 0.000 0.222 474 S C 1.669 175.931 174.600 -0.562 0.000 1.038 474 S CA 1.205 59.276 58.200 -0.215 0.000 1.051 474 S CB -0.232 62.922 63.200 -0.075 0.000 0.944 474 S HN 0.647 nan 8.310 nan 0.000 0.433 475 E N 0.659 120.675 120.200 -0.308 0.000 2.118 475 E HA -0.126 4.224 4.350 0.001 0.000 0.195 475 E C 2.204 178.629 176.600 -0.290 0.000 0.992 475 E CA 1.527 57.753 56.400 -0.289 0.000 0.804 475 E CB -0.415 29.188 29.700 -0.163 0.000 0.741 475 E HN 0.495 nan 8.360 nan 0.000 0.458 476 T N 1.395 115.816 114.554 -0.222 0.000 2.674 476 T HA -0.162 4.188 4.350 0.001 0.000 0.265 476 T C 1.612 176.213 174.700 -0.164 0.000 1.039 476 T CA 1.460 63.469 62.100 -0.151 0.000 1.150 476 T CB -0.476 68.344 68.868 -0.080 0.000 0.864 476 T HN 0.529 nan 8.240 nan 0.000 0.427 477 W N 2.171 123.316 121.300 -0.259 0.000 2.402 477 W HA 0.054 4.714 4.660 0.001 0.000 0.286 477 W C 1.491 177.893 176.519 -0.195 0.000 1.221 477 W CA 0.491 57.593 57.345 -0.405 0.000 1.257 477 W CB -0.590 28.312 29.460 -0.930 0.000 1.120 477 W HN 0.242 nan 8.180 nan 0.000 0.551 478 K N 1.113 121.117 120.400 -0.661 0.000 2.057 478 K HA -0.172 4.149 4.320 0.001 0.000 0.206 478 K C 2.591 179.073 176.600 -0.198 0.000 1.050 478 K CA 1.942 57.913 56.287 -0.527 0.000 0.935 478 K CB -0.439 31.623 32.500 -0.729 0.000 0.715 478 K HN 0.058 nan 8.250 nan 0.000 0.439 479 S N 0.762 116.348 115.700 -0.189 0.000 2.356 479 S HA -0.130 4.341 4.470 0.001 0.000 0.223 479 S C 2.064 176.634 174.600 -0.050 0.000 1.032 479 S CA 1.291 59.428 58.200 -0.104 0.000 1.005 479 S CB -0.252 62.886 63.200 -0.102 0.000 0.867 479 S HN 0.079 nan 8.310 nan 0.000 0.449 480 V N 2.025 121.917 119.914 -0.036 0.000 2.343 480 V HA -0.100 4.020 4.120 0.001 0.000 0.247 480 V C 2.497 178.615 176.094 0.040 0.000 1.051 480 V CA 1.747 64.046 62.300 -0.003 0.000 1.036 480 V CB -0.824 30.992 31.823 -0.012 0.000 0.654 480 V HN 0.539 nan 8.190 nan 0.000 0.451 481 L N 0.308 121.588 121.223 0.095 0.000 2.042 481 L HA -0.156 4.184 4.340 0.001 0.000 0.210 481 L C 2.612 179.532 176.870 0.084 0.000 1.076 481 L CA 2.494 57.420 54.840 0.144 0.000 0.749 481 L CB -1.010 41.210 42.059 0.269 0.000 0.893 481 L HN 0.339 nan 8.230 nan 0.000 0.432 482 S N -0.903 114.823 115.700 0.043 0.000 2.382 482 S HA -0.213 4.257 4.470 0.001 0.000 0.228 482 S C 1.853 176.464 174.600 0.017 0.000 1.027 482 S CA 1.537 59.750 58.200 0.022 0.000 0.991 482 S CB -0.318 62.878 63.200 -0.007 0.000 0.823 482 S HN 0.669 nan 8.310 nan 0.000 0.469 483 E N -0.001 120.206 120.200 0.011 0.000 2.106 483 E HA -0.082 4.268 4.350 0.001 0.000 0.192 483 E C 2.130 178.738 176.600 0.014 0.000 0.984 483 E CA 1.358 57.762 56.400 0.006 0.000 0.806 483 E CB -0.155 29.544 29.700 -0.002 0.000 0.750 483 E HN 0.392 nan 8.360 nan 0.000 0.458 484 V N 0.881 120.810 119.914 0.026 0.000 2.379 484 V HA -0.117 4.004 4.120 0.001 0.000 0.245 484 V C 0.645 176.759 176.094 0.032 0.000 1.044 484 V CA 1.245 63.562 62.300 0.028 0.000 1.036 484 V CB -0.033 31.814 31.823 0.040 0.000 0.664 484 V HN 0.201 nan 8.190 nan 0.000 0.453 485 D N -1.270 119.156 120.400 0.043 0.000 2.470 485 D HA 0.198 4.839 4.640 0.001 0.000 0.233 485 D C 0.726 177.051 176.300 0.042 0.000 1.372 485 D CA -0.395 53.631 54.000 0.044 0.000 0.994 485 D CB 1.296 42.131 40.800 0.057 0.000 1.377 485 D HN -0.183 nan 8.370 nan 0.000 0.586 486 K N 2.164 122.583 120.400 0.031 0.000 2.097 486 K HA -0.020 4.300 4.320 0.001 0.000 0.205 486 K C 0.657 177.276 176.600 0.031 0.000 1.050 486 K CA 0.783 57.086 56.287 0.026 0.000 0.938 486 K CB -0.063 32.448 32.500 0.018 0.000 0.718 486 K HN 0.411 nan 8.250 nan 0.000 0.442 487 N N 1.814 120.534 118.700 0.033 0.000 2.346 487 N HA -0.038 4.702 4.740 0.001 0.000 0.225 487 N C -0.476 175.062 175.510 0.047 0.000 1.144 487 N CA -0.314 52.758 53.050 0.036 0.000 0.837 487 N CB -0.152 38.354 38.487 0.031 0.000 1.069 487 N HN 0.286 nan 8.380 nan 0.000 0.487 488 N N 0.516 119.251 118.700 0.059 0.000 2.483 488 N HA -0.011 4.730 4.740 0.001 0.000 0.264 488 N C -1.006 174.549 175.510 0.075 0.000 1.197 488 N CA -0.384 52.712 53.050 0.077 0.000 0.927 488 N CB 0.683 39.231 38.487 0.101 0.000 1.065 488 N HN 0.043 nan 8.380 nan 0.000 0.461 489 D N 0.932 121.378 120.400 0.076 0.000 3.018 489 D HA 0.287 4.928 4.640 0.001 0.000 0.331 489 D C 0.710 177.061 176.300 0.084 0.000 1.334 489 D CA -0.816 53.226 54.000 0.070 0.000 0.900 489 D CB -0.052 40.781 40.800 0.055 0.000 1.059 489 D HN 0.892 nan 8.370 nan 0.000 0.498 490 G N 1.060 109.926 108.800 0.109 0.000 2.149 490 G HA2 -0.223 3.737 3.960 0.001 0.000 0.235 490 G HA3 -0.223 3.737 3.960 0.001 0.000 0.235 490 G C -0.250 174.729 174.900 0.131 0.000 1.018 490 G CA 0.147 45.326 45.100 0.131 0.000 0.728 490 G HN 0.760 nan 8.290 nan 0.000 0.508 491 E N -2.219 118.061 120.200 0.133 0.000 2.380 491 E HA 0.612 4.963 4.350 0.001 0.000 0.281 491 E C -0.561 176.126 176.600 0.144 0.000 0.999 491 E CA -0.836 55.641 56.400 0.128 0.000 0.800 491 E CB 1.988 31.748 29.700 0.101 0.000 1.228 491 E HN 1.173 nan 8.360 nan 0.000 0.436 492 V N -0.944 119.069 119.914 0.165 0.000 2.769 492 V HA 0.646 4.767 4.120 0.001 0.000 0.312 492 V C -0.575 175.654 176.094 0.226 0.000 1.061 492 V CA -0.793 61.619 62.300 0.188 0.000 0.931 492 V CB 1.538 33.504 31.823 0.237 0.000 1.010 492 V HN 0.882 nan 8.190 nan 0.000 0.433 493 D N 2.248 122.757 120.400 0.181 0.000 2.451 493 D HA 0.209 4.849 4.640 0.001 0.000 0.259 493 D C 0.816 177.137 176.300 0.035 0.000 1.201 493 D CA -0.664 53.448 54.000 0.187 0.000 1.028 493 D CB 0.477 41.347 40.800 0.117 0.000 1.095 493 D HN 0.462 nan 8.370 nan 0.000 0.539 494 F N 0.090 119.788 119.950 -0.420 0.000 2.102 494 F HA -0.137 4.391 4.527 0.001 0.000 0.298 494 F C 1.807 177.411 175.800 -0.327 0.000 1.105 494 F CA 2.065 59.522 58.000 -0.906 0.000 1.239 494 F CB -0.449 37.953 39.000 -0.996 0.000 0.991 494 F HN 0.465 nan 8.300 nan 0.000 0.474 495 D N -0.301 119.886 120.400 -0.355 0.000 2.117 495 D HA -0.194 4.446 4.640 0.001 0.000 0.197 495 D C 2.029 178.169 176.300 -0.266 0.000 0.987 495 D CA 1.763 55.549 54.000 -0.356 0.000 0.829 495 D CB -0.115 40.617 40.800 -0.114 0.000 0.961 495 D HN 0.510 nan 8.370 nan 0.000 0.460 496 E N -0.919 119.211 120.200 -0.116 0.000 2.077 496 E HA -0.148 4.203 4.350 0.001 0.000 0.193 496 E C 1.794 178.397 176.600 0.006 0.000 0.989 496 E CA 0.607 56.994 56.400 -0.022 0.000 0.800 496 E CB -0.234 29.501 29.700 0.058 0.000 0.746 496 E HN 0.335 nan 8.360 nan 0.000 0.452 497 F N 2.031 121.884 119.950 -0.162 0.000 2.095 497 F HA -0.262 4.265 4.527 0.001 0.000 0.298 497 F C 2.461 178.137 175.800 -0.207 0.000 1.104 497 F CA 1.979 59.908 58.000 -0.119 0.000 1.232 497 F CB -0.313 38.637 39.000 -0.084 0.000 0.987 497 F HN -0.054 nan 8.300 nan 0.000 0.475 498 Q N -0.101 119.380 119.800 -0.531 0.000 2.096 498 Q HA -0.279 4.061 4.340 0.001 0.000 0.204 498 Q C 2.262 178.105 176.000 -0.262 0.000 0.982 498 Q CA 2.142 57.597 55.803 -0.578 0.000 0.850 498 Q CB -0.240 28.025 28.738 -0.788 0.000 0.901 498 Q HN 0.591 nan 8.270 nan 0.000 0.422 499 Q N -0.417 119.266 119.800 -0.195 0.000 2.135 499 Q HA -0.186 4.155 4.340 0.001 0.000 0.204 499 Q C 2.121 178.085 176.000 -0.060 0.000 0.981 499 Q CA 1.656 57.407 55.803 -0.087 0.000 0.856 499 Q CB -0.088 28.615 28.738 -0.058 0.000 0.902 499 Q HN 0.496 nan 8.270 nan 0.000 0.425 500 M N 0.162 119.719 119.600 -0.071 0.000 2.086 500 M HA -0.180 4.300 4.480 0.001 0.000 0.261 500 M C 2.112 178.377 176.300 -0.057 0.000 1.067 500 M CA 1.413 56.694 55.300 -0.031 0.000 1.116 500 M CB -0.256 32.377 32.600 0.055 0.000 1.348 500 M HN 0.218 nan 8.290 nan 0.000 0.407 501 L N -0.084 121.065 121.223 -0.125 0.000 2.083 501 L HA -0.221 4.120 4.340 0.001 0.000 0.209 501 L C 2.346 179.226 176.870 0.016 0.000 1.083 501 L CA 1.110 55.928 54.840 -0.038 0.000 0.752 501 L CB -0.760 41.285 42.059 -0.023 0.000 0.899 501 L HN 0.362 nan 8.230 nan 0.000 0.433 502 L N -0.294 120.945 121.223 0.027 0.000 2.046 502 L HA -0.208 4.132 4.340 0.001 0.000 0.208 502 L C 2.632 179.487 176.870 -0.026 0.000 1.077 502 L CA 1.398 56.235 54.840 -0.005 0.000 0.747 502 L CB -0.445 41.620 42.059 0.010 0.000 0.896 502 L HN 0.202 nan 8.230 nan 0.000 0.432 503 K N 0.070 120.456 120.400 -0.023 0.000 2.211 503 K HA -0.105 4.215 4.320 0.001 0.000 0.203 503 K C 1.966 178.548 176.600 -0.030 0.000 1.050 503 K CA 0.999 57.270 56.287 -0.026 0.000 0.945 503 K CB -0.099 32.389 32.500 -0.021 0.000 0.732 503 K HN 0.287 nan 8.250 nan 0.000 0.451 504 L N 0.556 121.761 121.223 -0.032 0.000 2.478 504 L HA -0.066 4.275 4.340 0.001 0.000 0.223 504 L C 1.553 178.408 176.870 -0.024 0.000 1.140 504 L CA 0.297 55.119 54.840 -0.031 0.000 0.842 504 L CB -0.075 41.966 42.059 -0.031 0.000 0.953 504 L HN 0.338 nan 8.230 nan 0.000 0.452 505 C N -2.214 117.066 119.300 -0.033 0.000 2.557 505 C HA 0.680 5.141 4.460 0.001 0.000 0.281 505 C C 1.478 176.441 174.990 -0.045 0.000 1.490 505 C CA -0.477 58.516 59.018 -0.042 0.000 1.771 505 C CB -0.743 26.957 27.740 -0.066 0.000 2.887 505 C HN 0.622 nan 8.230 nan 0.000 0.527 506 G N 1.879 110.658 108.800 -0.036 0.000 2.155 506 G HA2 -0.253 3.708 3.960 0.001 0.000 0.257 506 G HA3 -0.253 3.708 3.960 0.001 0.000 0.257 506 G C -0.309 174.571 174.900 -0.034 0.000 0.983 506 G CA 0.668 45.748 45.100 -0.033 0.000 0.676 506 G HN 0.713 nan 8.290 nan 0.000 0.528 507 N N 0.000 118.678 118.700 -0.037 0.000 1.763 507 N HA 0.000 4.740 4.740 0.001 0.000 0.220 507 N CA 0.000 53.029 53.050 -0.035 0.000 0.885 507 N CB 0.000 38.458 38.487 -0.048 0.000 1.341 507 N HN 0.000 nan 8.380 nan 0.000 0.667