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 1iq1_1_C DATA FIRST_RESID 72 DATA SEQUENCE GTVNWSVEDI VKGINSNNLE SQLQATQAAR KLLSREKQPP IDNIIRAGLI DATA SEQUENCE PKFVSFLGKT DCSPIQFESA WALTNIASGT SEQTKAVVDG GAIPAFISLL DATA SEQUENCE ASPHAHISEQ AVWALGNIAG DGSAFRDLVI KHGAIDPLLA LLAVPDLSTL DATA SEQUENCE ACGYLRNLTW TLSNLCRNKN PAPPLDAVEQ ILPTLVRLLH HNDPEVLADS DATA SEQUENCE CWAISYLTDG PNERIEMVVK KGVVPQLVKL LGATELPIVT PALRAIGNIV DATA SEQUENCE TGTDEQTQKV IDAGALAVFP SLLTNPKTNI QKEATWTMSN ITAGRQDQIQ DATA SEQUENCE QVVNHGLVPF LVGVLSKADF KTQKEAAWAI TNYTSGGTVE QIVYLVHCGI DATA SEQUENCE IEPLMNLLSA KDTKIIQVIL DAISNIFQAA EKLGETEKLS IMIEECGGLD DATA SEQUENCE KIEALQRHEN ESVYKASLNL IEKYFS 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 72 G HA2 0.000 nan 3.960 nan 0.000 0.244 72 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 72 G C 0.000 175.106 174.900 0.344 0.000 0.946 72 G CA 0.000 45.219 45.100 0.198 0.000 0.502 73 T N -1.380 113.241 114.554 0.112 0.000 3.460 73 T HA 0.554 4.904 4.350 0.000 0.000 0.304 73 T C -0.444 174.132 174.700 -0.206 0.000 0.991 73 T CA -0.184 61.763 62.100 -0.256 0.000 0.975 73 T CB 1.034 69.686 68.868 -0.360 0.000 1.196 73 T HN 0.163 nan 8.240 nan 0.000 0.490 74 V N 2.509 122.464 119.914 0.067 0.000 2.417 74 V HA 0.541 4.661 4.120 0.000 0.000 0.291 74 V C 0.716 176.913 176.094 0.172 0.000 1.024 74 V CA -0.379 61.957 62.300 0.061 0.000 0.861 74 V CB 1.020 32.869 31.823 0.043 0.000 0.985 74 V HN 0.723 nan 8.190 nan 0.000 0.436 75 N N 3.148 121.918 118.700 0.117 0.000 2.878 75 N HA -0.179 4.561 4.740 0.000 0.000 0.247 75 N C -0.389 175.256 175.510 0.226 0.000 1.021 75 N CA 0.691 53.820 53.050 0.131 0.000 0.873 75 N CB -0.755 37.787 38.487 0.093 0.000 1.128 75 N HN 0.619 nan 8.380 nan 0.000 0.571 76 W N 1.556 122.841 121.300 -0.024 0.000 2.226 76 W HA 0.132 4.793 4.660 0.000 0.000 0.352 76 W C 1.348 177.861 176.519 -0.011 0.000 1.277 76 W CA 0.392 57.727 57.345 -0.016 0.000 1.305 76 W CB -0.038 29.413 29.460 -0.015 0.000 1.193 76 W HN 0.237 nan 8.180 nan 0.000 0.596 77 S N 0.156 115.963 115.700 0.179 0.000 2.616 77 S HA 0.325 4.796 4.470 0.000 0.000 0.277 77 S C 0.540 175.223 174.600 0.138 0.000 1.234 77 S CA -0.788 57.473 58.200 0.102 0.000 1.028 77 S CB 1.491 64.704 63.200 0.021 0.000 0.988 77 S HN 0.289 nan 8.310 nan 0.000 0.522 78 V N 2.351 122.324 119.914 0.098 0.000 2.324 78 V HA -0.248 3.872 4.120 0.000 0.000 0.250 78 V C 2.810 178.958 176.094 0.089 0.000 1.060 78 V CA 2.490 64.847 62.300 0.096 0.000 1.042 78 V CB -1.437 30.421 31.823 0.058 0.000 0.650 78 V HN 1.060 nan 8.190 nan 0.000 0.450 79 E N -0.094 120.139 120.200 0.054 0.000 2.150 79 E HA -0.256 4.094 4.350 0.000 0.000 0.193 79 E C 1.593 178.218 176.600 0.042 0.000 0.985 79 E CA 1.593 58.013 56.400 0.034 0.000 0.814 79 E CB -0.377 29.326 29.700 0.005 0.000 0.752 79 E HN 0.536 nan 8.360 nan 0.000 0.466 80 D N 1.278 121.703 120.400 0.040 0.000 2.117 80 D HA -0.067 4.573 4.640 0.000 0.000 0.198 80 D C 2.121 178.564 176.300 0.238 0.000 0.982 80 D CA 0.869 54.863 54.000 -0.011 0.000 0.828 80 D CB -0.178 40.469 40.800 -0.255 0.000 0.967 80 D HN 0.268 nan 8.370 nan 0.000 0.464 81 I N 0.579 121.398 120.570 0.415 0.000 2.264 81 I HA -0.241 3.929 4.170 0.000 0.000 0.248 81 I C 2.282 178.548 176.117 0.248 0.000 1.111 81 I CA 0.651 62.213 61.300 0.436 0.000 1.382 81 I CB -0.020 38.151 38.000 0.285 0.000 1.060 81 I HN -0.090 nan 8.210 nan 0.000 0.418 82 V N 0.313 120.317 119.914 0.150 0.000 2.307 82 V HA -0.240 3.881 4.120 0.000 0.000 0.245 82 V C 2.541 178.684 176.094 0.082 0.000 1.045 82 V CA 1.475 63.820 62.300 0.076 0.000 1.024 82 V CB -0.713 31.129 31.823 0.032 0.000 0.651 82 V HN 0.317 nan 8.190 nan 0.000 0.449 83 K N 0.822 121.270 120.400 0.079 0.000 2.059 83 K HA -0.195 4.125 4.320 0.000 0.000 0.212 83 K C 2.127 178.779 176.600 0.088 0.000 1.050 83 K CA 2.029 58.349 56.287 0.056 0.000 0.927 83 K CB -1.042 31.467 32.500 0.016 0.000 0.714 83 K HN 0.541 nan 8.250 nan 0.000 0.447 84 G N 0.366 109.263 108.800 0.161 0.000 2.396 84 G HA2 -0.127 3.833 3.960 0.000 0.000 0.214 84 G HA3 -0.127 3.833 3.960 0.000 0.000 0.214 84 G C 1.750 176.748 174.900 0.162 0.000 1.166 84 G CA 0.258 45.471 45.100 0.188 0.000 0.793 84 G HN 0.265 nan 8.290 nan 0.000 0.533 85 I N 0.836 121.514 120.570 0.181 0.000 2.454 85 I HA -0.172 3.998 4.170 0.000 0.000 0.254 85 I C 2.270 178.485 176.117 0.163 0.000 1.156 85 I CA 0.930 62.355 61.300 0.208 0.000 1.433 85 I CB -0.139 37.982 38.000 0.201 0.000 1.082 85 I HN 0.246 nan 8.210 nan 0.000 0.432 86 N N -0.079 118.681 118.700 0.099 0.000 2.424 86 N HA -0.038 4.703 4.740 0.000 0.000 0.178 86 N C 0.816 176.364 175.510 0.063 0.000 1.060 86 N CA 0.097 53.185 53.050 0.063 0.000 0.901 86 N CB 0.252 38.758 38.487 0.031 0.000 0.979 86 N HN 0.262 nan 8.380 nan 0.000 0.451 87 S N 0.535 116.278 115.700 0.071 0.000 2.580 87 S HA 0.062 4.532 4.470 0.000 0.000 0.266 87 S C 0.559 175.193 174.600 0.058 0.000 1.354 87 S CA -0.284 57.950 58.200 0.056 0.000 1.008 87 S CB 0.641 63.875 63.200 0.057 0.000 0.898 87 S HN 0.094 nan 8.310 nan 0.000 0.555 88 N N 1.155 119.881 118.700 0.043 0.000 2.362 88 N HA 0.151 4.891 4.740 0.000 0.000 0.204 88 N C -0.589 174.942 175.510 0.035 0.000 1.166 88 N CA 0.059 53.133 53.050 0.041 0.000 0.831 88 N CB -0.281 38.224 38.487 0.030 0.000 1.008 88 N HN 0.551 nan 8.380 nan 0.000 0.472 89 N N 1.275 119.996 118.700 0.035 0.000 2.501 89 N HA 0.048 4.788 4.740 0.000 0.000 0.245 89 N C 0.851 176.365 175.510 0.007 0.000 0.974 89 N CA -0.283 52.780 53.050 0.022 0.000 0.941 89 N CB 0.915 39.417 38.487 0.025 0.000 1.122 89 N HN 0.027 nan 8.380 nan 0.000 0.507 90 L N 4.149 125.366 121.223 -0.010 0.000 1.997 90 L HA -0.180 4.160 4.340 0.000 0.000 0.216 90 L C 1.918 178.741 176.870 -0.079 0.000 1.074 90 L CA 1.999 56.806 54.840 -0.054 0.000 0.763 90 L CB -0.302 41.730 42.059 -0.045 0.000 0.890 90 L HN 0.540 nan 8.230 nan 0.000 0.434 91 E N -0.337 119.837 120.200 -0.044 0.000 2.085 91 E HA -0.183 4.167 4.350 0.000 0.000 0.194 91 E C 2.271 178.855 176.600 -0.027 0.000 0.994 91 E CA 1.531 57.907 56.400 -0.040 0.000 0.801 91 E CB -0.381 29.310 29.700 -0.016 0.000 0.743 91 E HN 0.604 nan 8.360 nan 0.000 0.453 92 S N 1.140 116.844 115.700 0.006 0.000 2.368 92 S HA -0.190 4.280 4.470 0.000 0.000 0.225 92 S C 1.960 176.584 174.600 0.040 0.000 1.030 92 S CA 1.163 59.395 58.200 0.053 0.000 0.999 92 S CB -0.169 63.073 63.200 0.070 0.000 0.844 92 S HN 0.334 nan 8.310 nan 0.000 0.459 93 Q N 0.293 120.085 119.800 -0.013 0.000 2.050 93 Q HA -0.089 4.252 4.340 0.000 0.000 0.202 93 Q C 2.289 178.192 176.000 -0.161 0.000 0.980 93 Q CA 1.138 56.908 55.803 -0.055 0.000 0.840 93 Q CB -0.401 28.247 28.738 -0.150 0.000 0.898 93 Q HN 0.367 nan 8.270 nan 0.000 0.424 94 L N 1.316 122.415 121.223 -0.207 0.000 1.990 94 L HA -0.264 4.076 4.340 0.000 0.000 0.213 94 L C 2.227 178.989 176.870 -0.181 0.000 1.072 94 L CA 1.901 56.615 54.840 -0.211 0.000 0.755 94 L CB -0.689 41.275 42.059 -0.159 0.000 0.889 94 L HN 0.209 nan 8.230 nan 0.000 0.432 95 Q N -0.155 119.562 119.800 -0.139 0.000 2.061 95 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 95 Q C 2.260 178.002 176.000 -0.430 0.000 0.984 95 Q CA 1.902 57.587 55.803 -0.195 0.000 0.846 95 Q CB -0.830 27.890 28.738 -0.031 0.000 0.902 95 Q HN 0.688 nan 8.270 nan 0.000 0.421 96 A N 1.080 123.729 122.820 -0.284 0.000 1.902 96 A HA -0.136 4.184 4.320 0.000 0.000 0.217 96 A C 2.358 179.802 177.584 -0.233 0.000 1.181 96 A CA 1.898 53.737 52.037 -0.330 0.000 0.623 96 A CB -0.826 18.240 19.000 0.109 0.000 0.818 96 A HN 0.394 nan 8.150 nan 0.000 0.443 97 T N -0.492 114.001 114.554 -0.101 0.000 2.821 97 T HA -0.170 4.181 4.350 0.000 0.000 0.267 97 T C 2.050 176.593 174.700 -0.262 0.000 1.046 97 T CA 1.523 63.604 62.100 -0.032 0.000 1.139 97 T CB -0.211 68.658 68.868 0.002 0.000 0.871 97 T HN 0.647 nan 8.240 nan 0.000 0.454 98 Q N 0.565 120.170 119.800 -0.325 0.000 2.119 98 Q HA -0.058 4.282 4.340 0.000 0.000 0.201 98 Q C 2.514 178.229 176.000 -0.475 0.000 0.972 98 Q CA 1.292 56.862 55.803 -0.388 0.000 0.847 98 Q CB -0.266 28.280 28.738 -0.319 0.000 0.903 98 Q HN 0.544 nan 8.270 nan 0.000 0.433 99 A N 0.824 123.279 122.820 -0.607 0.000 1.933 99 A HA -0.145 4.176 4.320 0.000 0.000 0.218 99 A C 2.269 179.618 177.584 -0.392 0.000 1.175 99 A CA 1.683 53.301 52.037 -0.699 0.000 0.628 99 A CB -0.909 17.240 19.000 -1.418 0.000 0.814 99 A HN 0.552 nan 8.150 nan 0.000 0.444 100 A N -0.334 122.314 122.820 -0.287 0.000 1.877 100 A HA -0.188 4.133 4.320 0.000 0.000 0.216 100 A C 2.272 179.689 177.584 -0.279 0.000 1.186 100 A CA 1.732 53.684 52.037 -0.143 0.000 0.620 100 A CB -0.567 18.463 19.000 0.049 0.000 0.822 100 A HN 0.544 nan 8.150 nan 0.000 0.443 101 R N 0.043 120.276 120.500 -0.446 0.000 2.096 101 R HA -0.194 4.147 4.340 0.000 0.000 0.240 101 R C 2.101 178.041 176.300 -0.601 0.000 1.139 101 R CA 2.085 57.795 56.100 -0.649 0.000 0.952 101 R CB -0.315 29.451 30.300 -0.891 0.000 0.854 101 R HN 0.549 nan 8.270 nan 0.000 0.436 102 K N 0.317 120.419 120.400 -0.496 0.000 2.097 102 K HA -0.130 4.190 4.320 0.000 0.000 0.206 102 K C 2.222 178.689 176.600 -0.222 0.000 1.049 102 K CA 1.396 57.466 56.287 -0.362 0.000 0.933 102 K CB -0.165 32.161 32.500 -0.290 0.000 0.717 102 K HN 0.223 nan 8.250 nan 0.000 0.442 103 L N 0.816 121.934 121.223 -0.176 0.000 2.012 103 L HA -0.213 4.128 4.340 0.000 0.000 0.210 103 L C 2.220 179.039 176.870 -0.084 0.000 1.073 103 L CA 1.246 56.033 54.840 -0.088 0.000 0.748 103 L CB -0.362 41.672 42.059 -0.042 0.000 0.891 103 L HN 0.204 nan 8.230 nan 0.000 0.431 104 L N -1.529 119.618 121.223 -0.125 0.000 2.291 104 L HA -0.105 4.235 4.340 0.000 0.000 0.214 104 L C 1.919 178.744 176.870 -0.075 0.000 1.120 104 L CA 0.598 55.382 54.840 -0.094 0.000 0.799 104 L CB -0.299 41.686 42.059 -0.123 0.000 0.925 104 L HN 0.094 nan 8.230 nan 0.000 0.446 105 S N -0.408 115.216 115.700 -0.125 0.000 2.614 105 S HA 0.097 4.567 4.470 0.000 0.000 0.230 105 S C 0.577 175.171 174.600 -0.011 0.000 0.952 105 S CA -0.430 57.753 58.200 -0.029 0.000 0.949 105 S CB -0.284 62.872 63.200 -0.074 0.000 0.786 105 S HN 0.374 nan 8.310 nan 0.000 0.478 106 R N 1.025 121.509 120.500 -0.027 0.000 2.357 106 R HA 0.361 4.702 4.340 0.000 0.000 0.296 106 R C 0.966 177.272 176.300 0.010 0.000 1.052 106 R CA -0.341 55.754 56.100 -0.010 0.000 0.988 106 R CB 0.561 30.851 30.300 -0.017 0.000 1.025 106 R HN -0.083 nan 8.270 nan 0.000 0.469 107 E N 2.403 122.613 120.200 0.016 0.000 2.181 107 E HA -0.268 4.082 4.350 0.000 0.000 0.225 107 E C -0.486 176.125 176.600 0.019 0.000 1.073 107 E CA 2.280 58.692 56.400 0.021 0.000 0.916 107 E CB 0.186 29.898 29.700 0.019 0.000 0.793 107 E HN 0.705 nan 8.360 nan 0.000 0.472 108 K N -0.779 119.630 120.400 0.015 0.000 2.464 108 K HA 0.347 4.667 4.320 0.000 0.000 0.253 108 K C -0.792 175.816 176.600 0.014 0.000 0.933 108 K CA -0.576 55.720 56.287 0.016 0.000 0.801 108 K CB 1.589 34.097 32.500 0.015 0.000 1.271 108 K HN 0.104 nan 8.250 nan 0.000 0.430 109 Q N 0.236 120.045 119.800 0.016 0.000 2.464 109 Q HA -0.111 4.229 4.340 0.000 0.000 0.304 109 Q C -2.247 173.761 176.000 0.015 0.000 1.401 109 Q CA 0.141 55.953 55.803 0.016 0.000 0.806 109 Q CB -1.552 27.195 28.738 0.015 0.000 1.134 109 Q HN 0.545 nan 8.270 nan 0.000 0.411 110 P HA 0.013 nan 4.420 nan 0.000 0.266 110 P C -2.154 175.156 177.300 0.016 0.000 1.215 110 P CA -0.876 62.229 63.100 0.009 0.000 0.763 110 P CB 0.373 32.077 31.700 0.007 0.000 0.806 111 P HA 0.024 nan 4.420 nan 0.000 0.251 111 P C 1.286 178.604 177.300 0.031 0.000 1.624 111 P CA 0.113 63.228 63.100 0.024 0.000 0.907 111 P CB -0.484 31.232 31.700 0.027 0.000 1.867 112 I N 0.174 120.763 120.570 0.031 0.000 2.127 112 I HA -0.248 3.922 4.170 0.000 0.000 0.241 112 I C 1.949 178.090 176.117 0.040 0.000 1.075 112 I CA 1.578 62.902 61.300 0.040 0.000 1.334 112 I CB -0.518 37.506 38.000 0.039 0.000 1.040 112 I HN 0.080 nan 8.210 nan 0.000 0.405 113 D N 0.790 121.209 120.400 0.032 0.000 2.144 113 D HA -0.147 4.493 4.640 0.000 0.000 0.199 113 D C 1.897 178.211 176.300 0.023 0.000 0.984 113 D CA 1.021 55.037 54.000 0.027 0.000 0.834 113 D CB -0.427 40.386 40.800 0.023 0.000 0.955 113 D HN 0.384 nan 8.370 nan 0.000 0.465 114 N N 0.837 119.552 118.700 0.025 0.000 2.084 114 N HA -0.105 4.635 4.740 0.000 0.000 0.190 114 N C 1.945 177.469 175.510 0.024 0.000 1.030 114 N CA 0.545 53.609 53.050 0.023 0.000 0.849 114 N CB -0.086 38.417 38.487 0.027 0.000 1.012 114 N HN 0.203 nan 8.380 nan 0.000 0.423 115 I N 1.731 122.325 120.570 0.040 0.000 2.226 115 I HA -0.158 4.013 4.170 0.000 0.000 0.245 115 I C 2.328 178.456 176.117 0.018 0.000 1.100 115 I CA 0.731 62.061 61.300 0.051 0.000 1.374 115 I CB -0.977 37.090 38.000 0.111 0.000 1.057 115 I HN 0.067 nan 8.210 nan 0.000 0.413 116 I N 0.575 121.160 120.570 0.025 0.000 2.142 116 I HA -0.293 3.878 4.170 0.000 0.000 0.240 116 I C 2.778 178.885 176.117 -0.016 0.000 1.078 116 I CA 1.248 62.552 61.300 0.006 0.000 1.343 116 I CB -0.445 37.567 38.000 0.020 0.000 1.046 116 I HN 0.189 nan 8.210 nan 0.000 0.405 117 R N 0.975 121.471 120.500 -0.007 0.000 2.117 117 R HA -0.160 4.180 4.340 0.000 0.000 0.243 117 R C 2.259 178.543 176.300 -0.027 0.000 1.143 117 R CA 1.506 57.599 56.100 -0.013 0.000 0.968 117 R CB -0.579 29.719 30.300 -0.004 0.000 0.863 117 R HN 0.369 nan 8.270 nan 0.000 0.444 118 A N 0.577 123.378 122.820 -0.030 0.000 2.259 118 A HA 0.034 4.354 4.320 0.000 0.000 0.212 118 A C 1.447 178.983 177.584 -0.081 0.000 1.178 118 A CA 1.017 53.028 52.037 -0.044 0.000 0.734 118 A CB -0.612 18.367 19.000 -0.035 0.000 0.774 118 A HN 0.530 nan 8.150 nan 0.000 0.481 119 G N -1.249 107.497 108.800 -0.090 0.000 2.221 119 G HA2 -0.270 3.691 3.960 0.000 0.000 0.265 119 G HA3 -0.270 3.691 3.960 0.000 0.000 0.265 119 G C 0.597 175.370 174.900 -0.211 0.000 1.041 119 G CA 0.509 45.537 45.100 -0.120 0.000 0.807 119 G HN 0.495 nan 8.290 nan 0.000 0.502 120 L N -0.648 120.404 121.223 -0.284 0.000 2.240 120 L HA 0.155 4.495 4.340 0.000 0.000 0.211 120 L C 2.957 179.377 176.870 -0.750 0.000 1.106 120 L CA 0.609 55.090 54.840 -0.598 0.000 0.793 120 L CB -0.334 41.288 42.059 -0.729 0.000 0.927 120 L HN 0.421 nan 8.230 nan 0.000 0.446 121 I N 0.594 120.958 120.570 -0.342 0.000 2.118 121 I HA -0.254 3.916 4.170 0.000 0.000 0.241 121 I C -0.263 175.740 176.117 -0.190 0.000 1.070 121 I CA 1.748 62.961 61.300 -0.145 0.000 1.327 121 I CB -1.551 36.427 38.000 -0.035 0.000 1.034 121 I HN 0.211 nan 8.210 nan 0.000 0.405 122 P HA -0.187 nan 4.420 nan 0.000 0.216 122 P C 1.383 178.499 177.300 -0.307 0.000 1.153 122 P CA 1.427 64.404 63.100 -0.204 0.000 0.858 122 P CB -0.069 31.527 31.700 -0.173 0.000 0.789 123 K N -1.352 118.778 120.400 -0.449 0.000 2.025 123 K HA -0.083 4.238 4.320 0.000 0.000 0.207 123 K C 2.039 178.104 176.600 -0.892 0.000 1.049 123 K CA 1.334 57.198 56.287 -0.704 0.000 0.933 123 K CB -1.192 30.892 32.500 -0.694 0.000 0.714 123 K HN 0.160 nan 8.250 nan 0.000 0.438 124 F N 1.497 121.149 119.950 -0.495 0.000 2.069 124 F HA -0.163 4.364 4.527 0.000 0.000 0.298 124 F C 2.596 178.238 175.800 -0.263 0.000 1.113 124 F CA 0.387 58.214 58.000 -0.288 0.000 1.214 124 F CB -1.419 37.518 39.000 -0.104 0.000 0.978 124 F HN -0.271 nan 8.300 nan 0.000 0.474 125 V N 0.435 120.313 119.914 -0.061 0.000 2.324 125 V HA -0.332 3.789 4.120 0.000 0.000 0.250 125 V C 2.484 178.489 176.094 -0.148 0.000 1.060 125 V CA 2.281 64.492 62.300 -0.148 0.000 1.042 125 V CB -1.241 30.493 31.823 -0.149 0.000 0.650 125 V HN 0.518 nan 8.190 nan 0.000 0.450 126 S N -0.487 115.092 115.700 -0.202 0.000 2.423 126 S HA -0.143 4.327 4.470 0.000 0.000 0.231 126 S C 1.811 176.416 174.600 0.008 0.000 1.014 126 S CA 1.273 59.387 58.200 -0.145 0.000 0.965 126 S CB -0.594 62.480 63.200 -0.209 0.000 0.785 126 S HN 0.455 nan 8.310 nan 0.000 0.495 127 F N 2.010 121.967 119.950 0.011 0.000 2.325 127 F HA 0.287 4.814 4.527 0.000 0.000 0.299 127 F C 2.034 177.828 175.800 -0.011 0.000 1.090 127 F CA -0.636 57.375 58.000 0.018 0.000 1.392 127 F CB -1.006 38.030 39.000 0.059 0.000 1.053 127 F HN 0.175 nan 8.300 nan 0.000 0.521 128 L N -0.508 120.785 121.223 0.117 0.000 2.081 128 L HA -0.188 4.152 4.340 0.000 0.000 0.212 128 L C 2.456 179.349 176.870 0.037 0.000 1.080 128 L CA 1.563 56.410 54.840 0.012 0.000 0.754 128 L CB -1.307 40.647 42.059 -0.174 0.000 0.893 128 L HN 0.242 nan 8.230 nan 0.000 0.433 129 G N -0.527 108.297 108.800 0.041 0.000 2.920 129 G HA2 -0.070 3.890 3.960 0.000 0.000 0.208 129 G HA3 -0.070 3.890 3.960 0.000 0.000 0.208 129 G C 0.778 175.718 174.900 0.068 0.000 1.159 129 G CA -0.248 44.879 45.100 0.045 0.000 0.784 129 G HN 0.226 nan 8.290 nan 0.000 0.535 130 K N 1.536 121.993 120.400 0.094 0.000 2.278 130 K HA 0.143 4.464 4.320 0.000 0.000 0.237 130 K C 1.267 177.903 176.600 0.061 0.000 1.229 130 K CA -0.201 56.135 56.287 0.081 0.000 1.155 130 K CB 0.197 32.752 32.500 0.091 0.000 1.590 130 K HN 0.025 nan 8.250 nan 0.000 0.290 131 T N 1.608 116.199 114.554 0.061 0.000 2.649 131 T HA -0.226 4.124 4.350 0.000 0.000 0.268 131 T C 1.433 176.171 174.700 0.063 0.000 1.036 131 T CA 2.123 64.263 62.100 0.066 0.000 1.157 131 T CB -0.217 68.688 68.868 0.061 0.000 0.861 131 T HN 0.635 nan 8.240 nan 0.000 0.445 132 D N 0.036 120.464 120.400 0.048 0.000 2.265 132 D HA -0.084 4.557 4.640 0.000 0.000 0.208 132 D C 1.200 177.515 176.300 0.025 0.000 0.977 132 D CA 0.523 54.546 54.000 0.038 0.000 0.871 132 D CB -0.689 40.129 40.800 0.029 0.000 0.925 132 D HN 0.452 nan 8.370 nan 0.000 0.485 133 C N 2.160 121.468 119.300 0.014 0.000 3.075 133 C HA 0.380 4.840 4.460 0.000 0.000 0.262 133 C C 2.135 177.113 174.990 -0.019 0.000 1.371 133 C CA -0.067 58.943 59.018 -0.014 0.000 1.594 133 C CB -1.455 26.260 27.740 -0.041 0.000 1.849 133 C HN 0.341 nan 8.230 nan 0.000 0.475 134 S N 2.678 118.360 115.700 -0.030 0.000 2.389 134 S HA -0.167 4.303 4.470 0.000 0.000 0.231 134 S C -0.739 173.832 174.600 -0.049 0.000 1.052 134 S CA 2.105 60.254 58.200 -0.084 0.000 1.053 134 S CB -1.513 61.474 63.200 -0.355 0.000 0.886 134 S HN 0.613 nan 8.310 nan 0.000 0.456 135 P HA -0.047 nan 4.420 nan 0.000 0.215 135 P C 1.701 179.034 177.300 0.056 0.000 1.157 135 P CA 1.087 64.207 63.100 0.032 0.000 0.874 135 P CB -0.138 31.555 31.700 -0.012 0.000 0.790 136 I N -1.081 119.469 120.570 -0.034 0.000 2.493 136 I HA -0.261 3.909 4.170 0.000 0.000 0.254 136 I C 2.171 178.288 176.117 -0.001 0.000 1.160 136 I CA 1.332 62.573 61.300 -0.098 0.000 1.445 136 I CB -0.181 37.649 38.000 -0.283 0.000 1.086 136 I HN -0.028 nan 8.210 nan 0.000 0.433 137 Q N -0.115 119.715 119.800 0.051 0.000 2.030 137 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 137 Q C 2.166 178.248 176.000 0.136 0.000 0.986 137 Q CA 2.166 58.026 55.803 0.096 0.000 0.843 137 Q CB -0.352 28.437 28.738 0.086 0.000 0.904 137 Q HN 0.502 nan 8.270 nan 0.000 0.420 138 F N 2.135 122.078 119.950 -0.012 0.000 2.046 138 F HA -0.231 4.296 4.527 0.000 0.000 0.297 138 F C 2.151 178.000 175.800 0.082 0.000 1.123 138 F CA 1.583 59.595 58.000 0.021 0.000 1.199 138 F CB -0.251 38.773 39.000 0.040 0.000 0.972 138 F HN -0.011 nan 8.300 nan 0.000 0.474 139 E N 0.531 120.688 120.200 -0.072 0.000 2.049 139 E HA -0.241 4.109 4.350 0.000 0.000 0.198 139 E C 2.448 178.868 176.600 -0.299 0.000 1.007 139 E CA 1.928 58.164 56.400 -0.272 0.000 0.809 139 E CB -1.080 28.503 29.700 -0.195 0.000 0.749 139 E HN 0.570 nan 8.360 nan 0.000 0.450 140 S N 1.022 116.617 115.700 -0.176 0.000 2.399 140 S HA -0.063 4.407 4.470 0.000 0.000 0.231 140 S C 2.227 176.740 174.600 -0.144 0.000 1.022 140 S CA 1.184 59.251 58.200 -0.221 0.000 0.983 140 S CB -0.270 62.996 63.200 0.111 0.000 0.803 140 S HN 0.307 nan 8.310 nan 0.000 0.480 141 A N 2.147 124.962 122.820 -0.009 0.000 1.845 141 A HA -0.087 4.234 4.320 0.000 0.000 0.215 141 A C 1.922 179.561 177.584 0.093 0.000 1.195 141 A CA 1.471 53.629 52.037 0.201 0.000 0.616 141 A CB -1.587 17.565 19.000 0.253 0.000 0.832 141 A HN 0.737 nan 8.150 nan 0.000 0.443 142 W N 0.887 121.958 121.300 -0.382 0.000 2.318 142 W HA -0.248 4.412 4.660 0.001 0.000 0.313 142 W C 2.503 178.782 176.519 -0.399 0.000 1.221 142 W CA 2.169 59.217 57.345 -0.495 0.000 1.266 142 W CB -0.900 28.137 29.460 -0.705 0.000 1.150 142 W HN 0.437 nan 8.180 nan 0.000 0.496 143 A N 0.460 123.165 122.820 -0.192 0.000 1.851 143 A HA -0.214 4.106 4.320 0.000 0.000 0.216 143 A C 2.364 179.858 177.584 -0.150 0.000 1.195 143 A CA 2.175 54.010 52.037 -0.336 0.000 0.622 143 A CB -1.262 17.253 19.000 -0.808 0.000 0.831 143 A HN 0.305 nan 8.150 nan 0.000 0.444 144 L N -0.630 120.548 121.223 -0.074 0.000 2.013 144 L HA -0.223 4.117 4.340 0.000 0.000 0.212 144 L C 2.838 179.773 176.870 0.108 0.000 1.073 144 L CA 1.899 56.808 54.840 0.115 0.000 0.753 144 L CB -1.149 41.072 42.059 0.270 0.000 0.890 144 L HN 0.398 nan 8.230 nan 0.000 0.432 145 T N -0.334 114.252 114.554 0.053 0.000 2.653 145 T HA -0.220 4.130 4.350 0.000 0.000 0.268 145 T C 1.662 176.309 174.700 -0.088 0.000 1.035 145 T CA 1.942 63.976 62.100 -0.110 0.000 1.154 145 T CB -0.346 68.308 68.868 -0.357 0.000 0.862 145 T HN 0.296 nan 8.240 nan 0.000 0.441 146 N N 0.638 119.299 118.700 -0.065 0.000 2.309 146 N HA 0.102 4.842 4.740 0.000 0.000 0.182 146 N C 1.764 177.284 175.510 0.016 0.000 1.018 146 N CA 0.580 53.614 53.050 -0.027 0.000 0.876 146 N CB -0.361 38.123 38.487 -0.004 0.000 0.972 146 N HN 0.431 nan 8.380 nan 0.000 0.434 147 I N 0.266 120.854 120.570 0.030 0.000 2.286 147 I HA -0.148 4.022 4.170 0.000 0.000 0.245 147 I C 2.053 178.206 176.117 0.059 0.000 1.104 147 I CA 0.815 62.147 61.300 0.054 0.000 1.397 147 I CB -0.269 37.779 38.000 0.080 0.000 1.072 147 I HN 0.047 nan 8.210 nan 0.000 0.417 148 A N 0.498 123.355 122.820 0.061 0.000 2.121 148 A HA -0.172 4.148 4.320 0.000 0.000 0.218 148 A C 2.377 180.013 177.584 0.087 0.000 1.154 148 A CA 1.674 53.749 52.037 0.063 0.000 0.679 148 A CB -0.651 18.381 19.000 0.052 0.000 0.795 148 A HN 0.514 nan 8.150 nan 0.000 0.458 149 S N -0.506 115.246 115.700 0.088 0.000 2.555 149 S HA 0.235 4.705 4.470 0.000 0.000 0.230 149 S C 1.315 175.973 174.600 0.097 0.000 0.978 149 S CA 0.733 59.004 58.200 0.118 0.000 0.934 149 S CB -0.552 62.710 63.200 0.105 0.000 0.766 149 S HN 0.604 nan 8.310 nan 0.000 0.533 150 G N 1.572 110.419 108.800 0.078 0.000 2.873 150 G HA2 0.385 4.345 3.960 0.000 0.000 0.170 150 G HA3 0.385 4.345 3.960 0.000 0.000 0.170 150 G C 0.359 175.301 174.900 0.071 0.000 1.608 150 G CA 0.242 45.383 45.100 0.068 0.000 1.084 150 G HN 0.605 nan 8.290 nan 0.000 0.563 151 T N -2.578 112.014 114.554 0.064 0.000 2.788 151 T HA 0.321 4.672 4.350 0.000 0.000 0.280 151 T C 1.542 176.292 174.700 0.084 0.000 0.984 151 T CA 0.525 62.663 62.100 0.062 0.000 0.972 151 T CB 1.160 70.058 68.868 0.050 0.000 1.039 151 T HN 0.191 nan 8.240 nan 0.000 0.530 152 S N 0.129 115.877 115.700 0.081 0.000 2.368 152 S HA -0.104 4.366 4.470 0.000 0.000 0.225 152 S C 1.913 176.593 174.600 0.133 0.000 1.030 152 S CA 1.334 59.603 58.200 0.115 0.000 0.999 152 S CB -0.671 62.565 63.200 0.059 0.000 0.844 152 S HN 0.907 nan 8.310 nan 0.000 0.459 153 E N 1.873 122.124 120.200 0.085 0.000 2.065 153 E HA -0.235 4.115 4.350 0.000 0.000 0.201 153 E C 2.109 178.761 176.600 0.087 0.000 1.016 153 E CA 1.835 58.281 56.400 0.077 0.000 0.818 153 E CB -0.360 29.370 29.700 0.051 0.000 0.749 153 E HN 0.631 nan 8.360 nan 0.000 0.453 154 Q N -0.832 119.014 119.800 0.077 0.000 2.016 154 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 154 Q C 2.379 178.423 176.000 0.073 0.000 0.978 154 Q CA 1.868 57.712 55.803 0.069 0.000 0.833 154 Q CB -0.320 28.455 28.738 0.061 0.000 0.895 154 Q HN 0.283 nan 8.270 nan 0.000 0.427 155 T N 1.667 116.277 114.554 0.093 0.000 2.699 155 T HA -0.224 4.126 4.350 0.000 0.000 0.268 155 T C 1.701 176.411 174.700 0.017 0.000 1.036 155 T CA 1.649 63.790 62.100 0.067 0.000 1.147 155 T CB -0.207 68.739 68.868 0.130 0.000 0.862 155 T HN 0.273 nan 8.240 nan 0.000 0.446 156 K N 1.069 121.569 120.400 0.167 0.000 2.063 156 K HA -0.118 4.202 4.320 0.000 0.000 0.208 156 K C 2.502 179.137 176.600 0.058 0.000 1.048 156 K CA 1.331 57.746 56.287 0.213 0.000 0.928 156 K CB -0.359 32.315 32.500 0.290 0.000 0.713 156 K HN 0.308 nan 8.250 nan 0.000 0.442 157 A N 0.678 123.528 122.820 0.050 0.000 1.908 157 A HA -0.141 4.180 4.320 0.000 0.000 0.218 157 A C 2.241 179.822 177.584 -0.004 0.000 1.181 157 A CA 1.898 53.950 52.037 0.024 0.000 0.627 157 A CB -0.707 18.312 19.000 0.031 0.000 0.818 157 A HN 0.188 nan 8.150 nan 0.000 0.445 158 V N -0.432 119.474 119.914 -0.012 0.000 2.295 158 V HA -0.230 3.890 4.120 0.000 0.000 0.246 158 V C 2.557 178.606 176.094 -0.075 0.000 1.049 158 V CA 1.973 64.265 62.300 -0.014 0.000 1.024 158 V CB -0.929 30.907 31.823 0.022 0.000 0.648 158 V HN 0.370 nan 8.190 nan 0.000 0.447 159 V N 0.317 120.123 119.914 -0.180 0.000 2.343 159 V HA -0.256 3.864 4.120 0.000 0.000 0.247 159 V C 2.219 178.246 176.094 -0.112 0.000 1.051 159 V CA 2.192 64.338 62.300 -0.256 0.000 1.036 159 V CB -0.778 30.674 31.823 -0.618 0.000 0.654 159 V HN 0.526 nan 8.190 nan 0.000 0.451 160 D N 0.767 121.137 120.400 -0.050 0.000 2.263 160 D HA -0.088 4.553 4.640 0.000 0.000 0.208 160 D C 2.040 178.327 176.300 -0.021 0.000 0.971 160 D CA 1.363 55.360 54.000 -0.004 0.000 0.867 160 D CB -0.378 40.434 40.800 0.021 0.000 0.929 160 D HN 0.506 nan 8.370 nan 0.000 0.492 161 G N -0.942 107.833 108.800 -0.041 0.000 2.920 161 G HA2 0.258 4.218 3.960 0.000 0.000 0.208 161 G HA3 0.258 4.218 3.960 0.000 0.000 0.208 161 G C 1.193 176.055 174.900 -0.062 0.000 1.159 161 G CA 0.390 45.459 45.100 -0.053 0.000 0.784 161 G HN 0.414 nan 8.290 nan 0.000 0.535 162 G N -0.926 107.839 108.800 -0.058 0.000 2.132 162 G HA2 -0.005 3.956 3.960 0.000 0.000 0.234 162 G HA3 -0.005 3.956 3.960 0.000 0.000 0.234 162 G C 1.260 176.104 174.900 -0.093 0.000 0.989 162 G CA 0.911 45.978 45.100 -0.055 0.000 0.676 162 G HN 1.071 nan 8.290 nan 0.000 0.522 163 A N 0.054 122.808 122.820 -0.111 0.000 1.940 163 A HA 0.143 4.463 4.320 0.000 0.000 0.219 163 A C 2.385 179.925 177.584 -0.073 0.000 1.176 163 A CA 1.837 53.781 52.037 -0.154 0.000 0.631 163 A CB -0.327 18.645 19.000 -0.047 0.000 0.814 163 A HN 0.791 nan 8.150 nan 0.000 0.446 164 I N 0.522 121.044 120.570 -0.080 0.000 2.069 164 I HA -0.217 3.953 4.170 0.000 0.000 0.237 164 I C -0.137 175.942 176.117 -0.064 0.000 1.053 164 I CA 2.087 63.315 61.300 -0.121 0.000 1.311 164 I CB -1.431 36.281 38.000 -0.480 0.000 1.030 164 I HN 0.276 nan 8.210 nan 0.000 0.398 165 P HA -0.218 nan 4.420 nan 0.000 0.215 165 P C 1.422 178.754 177.300 0.053 0.000 1.153 165 P CA 2.357 65.510 63.100 0.089 0.000 0.853 165 P CB -0.082 31.717 31.700 0.165 0.000 0.788 166 A N -0.594 122.215 122.820 -0.018 0.000 1.908 166 A HA -0.186 4.134 4.320 0.000 0.000 0.218 166 A C 2.137 179.706 177.584 -0.024 0.000 1.181 166 A CA 1.493 53.490 52.037 -0.067 0.000 0.627 166 A CB -1.762 17.125 19.000 -0.189 0.000 0.818 166 A HN 0.034 nan 8.150 nan 0.000 0.445 167 F N 0.012 119.967 119.950 0.009 0.000 2.186 167 F HA -0.059 4.468 4.527 0.001 0.000 0.299 167 F C 2.160 177.980 175.800 0.032 0.000 1.090 167 F CA 0.589 58.601 58.000 0.020 0.000 1.307 167 F CB -0.432 38.569 39.000 0.002 0.000 1.019 167 F HN 0.131 nan 8.300 nan 0.000 0.489 168 I N -1.268 119.436 120.570 0.223 0.000 2.286 168 I HA -0.300 3.870 4.170 0.000 0.000 0.248 168 I C 2.339 178.533 176.117 0.128 0.000 1.115 168 I CA 1.183 62.572 61.300 0.149 0.000 1.392 168 I CB -0.615 37.458 38.000 0.122 0.000 1.065 168 I HN -0.017 nan 8.210 nan 0.000 0.418 169 S N 0.819 116.587 115.700 0.114 0.000 2.399 169 S HA -0.072 4.399 4.470 0.000 0.000 0.231 169 S C 1.910 176.573 174.600 0.105 0.000 1.022 169 S CA 1.070 59.324 58.200 0.091 0.000 0.983 169 S CB -0.216 63.024 63.200 0.066 0.000 0.803 169 S HN 0.375 nan 8.310 nan 0.000 0.480 170 L N 1.047 122.355 121.223 0.141 0.000 2.465 170 L HA 0.048 4.388 4.340 0.000 0.000 0.224 170 L C 1.767 178.728 176.870 0.152 0.000 1.145 170 L CA 0.391 55.325 54.840 0.156 0.000 0.834 170 L CB -0.468 41.724 42.059 0.220 0.000 0.944 170 L HN 0.306 nan 8.230 nan 0.000 0.451 171 L N -0.116 121.194 121.223 0.145 0.000 2.191 171 L HA -0.167 4.173 4.340 0.000 0.000 0.212 171 L C 2.490 179.428 176.870 0.114 0.000 1.103 171 L CA 0.994 55.914 54.840 0.133 0.000 0.769 171 L CB -0.523 41.601 42.059 0.109 0.000 0.908 171 L HN 0.254 nan 8.230 nan 0.000 0.438 172 A N -1.080 121.796 122.820 0.093 0.000 2.251 172 A HA 0.035 4.355 4.320 0.000 0.000 0.209 172 A C 1.289 178.908 177.584 0.059 0.000 1.187 172 A CA 0.060 52.139 52.037 0.070 0.000 0.823 172 A CB -0.206 18.829 19.000 0.058 0.000 0.846 172 A HN 0.278 nan 8.150 nan 0.000 0.486 173 S N 0.293 116.037 115.700 0.075 0.000 2.559 173 S HA 0.159 4.629 4.470 0.000 0.000 0.282 173 S C -1.389 173.214 174.600 0.006 0.000 1.336 173 S CA -0.470 57.769 58.200 0.065 0.000 1.037 173 S CB 0.578 63.842 63.200 0.107 0.000 0.853 173 S HN 0.224 nan 8.310 nan 0.000 0.523 174 P HA 0.123 nan 4.420 nan 0.000 0.240 174 P C -0.534 176.576 177.300 -0.318 0.000 1.190 174 P CA 0.609 63.581 63.100 -0.214 0.000 0.781 174 P CB 0.080 31.598 31.700 -0.304 0.000 0.931 175 H N -0.357 118.713 119.070 -0.001 0.000 2.685 175 H HA 0.361 4.918 4.556 0.000 0.000 0.286 175 H C 1.227 176.531 175.328 -0.041 0.000 1.102 175 H CA -0.434 55.623 56.048 0.015 0.000 1.254 175 H CB 1.168 30.929 29.762 -0.000 0.000 1.397 175 H HN -0.034 nan 8.280 nan 0.000 0.473 176 A N 3.850 126.684 122.820 0.024 0.000 1.927 176 A HA -0.270 4.051 4.320 0.000 0.000 0.220 176 A C 2.115 179.643 177.584 -0.093 0.000 1.185 176 A CA 1.917 53.860 52.037 -0.156 0.000 0.639 176 A CB -0.724 18.075 19.000 -0.334 0.000 0.820 176 A HN 0.854 nan 8.150 nan 0.000 0.451 177 H N -0.842 118.162 119.070 -0.111 0.000 2.489 177 H HA 0.026 4.582 4.556 0.000 0.000 0.293 177 H C 1.804 177.205 175.328 0.122 0.000 1.066 177 H CA 1.429 57.438 56.048 -0.065 0.000 1.305 177 H CB -0.645 28.954 29.762 -0.273 0.000 1.386 177 H HN 0.532 nan 8.280 nan 0.000 0.551 178 I N 1.380 121.696 120.570 -0.424 0.000 2.339 178 I HA -0.188 3.983 4.170 0.000 0.000 0.245 178 I C 2.672 178.855 176.117 0.111 0.000 1.096 178 I CA 1.185 62.422 61.300 -0.106 0.000 1.408 178 I CB -0.228 37.698 38.000 -0.123 0.000 1.092 178 I HN 0.322 nan 8.210 nan 0.000 0.423 179 S N 0.242 116.009 115.700 0.112 0.000 2.447 179 S HA -0.218 4.252 4.470 0.000 0.000 0.233 179 S C 1.824 176.597 174.600 0.288 0.000 1.006 179 S CA 1.271 59.587 58.200 0.193 0.000 0.957 179 S CB -0.344 62.969 63.200 0.188 0.000 0.773 179 S HN 0.533 nan 8.310 nan 0.000 0.507 180 E N 0.750 121.153 120.200 0.338 0.000 2.047 180 E HA -0.187 4.163 4.350 0.000 0.000 0.191 180 E C 2.252 179.042 176.600 0.316 0.000 0.987 180 E CA 1.137 57.822 56.400 0.476 0.000 0.799 180 E CB -0.228 29.746 29.700 0.457 0.000 0.752 180 E HN 0.401 nan 8.360 nan 0.000 0.449 181 Q N 0.271 120.220 119.800 0.249 0.000 2.061 181 Q HA -0.176 4.165 4.340 0.000 0.000 0.204 181 Q C 2.210 178.237 176.000 0.045 0.000 0.984 181 Q CA 1.614 57.500 55.803 0.138 0.000 0.846 181 Q CB -0.603 28.204 28.738 0.115 0.000 0.902 181 Q HN 0.436 nan 8.270 nan 0.000 0.421 182 A N 0.264 123.144 122.820 0.099 0.000 1.883 182 A HA -0.165 4.155 4.320 0.000 0.000 0.217 182 A C 2.475 180.000 177.584 -0.099 0.000 1.186 182 A CA 1.784 53.810 52.037 -0.020 0.000 0.624 182 A CB -0.852 18.282 19.000 0.224 0.000 0.822 182 A HN 0.220 nan 8.150 nan 0.000 0.444 183 V N -1.454 118.498 119.914 0.063 0.000 2.255 183 V HA -0.282 3.838 4.120 0.000 0.000 0.247 183 V C 2.287 178.450 176.094 0.115 0.000 1.051 183 V CA 2.061 64.396 62.300 0.058 0.000 1.018 183 V CB -0.909 30.950 31.823 0.061 0.000 0.641 183 V HN 0.851 nan 8.190 nan 0.000 0.445 184 W N 0.801 122.086 121.300 -0.026 0.000 2.318 184 W HA -0.258 4.403 4.660 0.001 0.000 0.313 184 W C 2.561 179.057 176.519 -0.039 0.000 1.221 184 W CA 2.522 59.895 57.345 0.047 0.000 1.266 184 W CB -0.826 28.598 29.460 -0.060 0.000 1.150 184 W HN 0.306 nan 8.180 nan 0.000 0.496 185 A N 0.473 123.266 122.820 -0.044 0.000 1.865 185 A HA -0.216 4.105 4.320 0.000 0.000 0.217 185 A C 2.301 179.720 177.584 -0.276 0.000 1.191 185 A CA 2.093 53.877 52.037 -0.421 0.000 0.623 185 A CB -1.256 16.783 19.000 -1.603 0.000 0.826 185 A HN 0.294 nan 8.150 nan 0.000 0.444 186 L N -0.570 120.478 121.223 -0.291 0.000 2.127 186 L HA -0.149 4.191 4.340 0.000 0.000 0.211 186 L C 2.802 179.603 176.870 -0.116 0.000 1.089 186 L CA 0.939 55.687 54.840 -0.153 0.000 0.757 186 L CB -0.886 41.112 42.059 -0.103 0.000 0.899 186 L HN 0.529 nan 8.230 nan 0.000 0.434 187 G N 0.051 108.804 108.800 -0.078 0.000 2.459 187 G HA2 -0.296 3.665 3.960 0.000 0.000 0.217 187 G HA3 -0.296 3.665 3.960 0.000 0.000 0.217 187 G C 1.392 176.168 174.900 -0.206 0.000 1.183 187 G CA 0.812 45.734 45.100 -0.297 0.000 0.776 187 G HN 0.305 nan 8.290 nan 0.000 0.552 188 N N 0.490 119.295 118.700 0.175 0.000 2.223 188 N HA -0.018 4.722 4.740 0.000 0.000 0.185 188 N C 2.222 177.771 175.510 0.064 0.000 1.016 188 N CA 0.641 53.820 53.050 0.215 0.000 0.863 188 N CB -0.144 38.501 38.487 0.263 0.000 0.983 188 N HN 0.404 nan 8.380 nan 0.000 0.429 189 I N 0.452 121.015 120.570 -0.011 0.000 2.193 189 I HA -0.145 4.025 4.170 0.000 0.000 0.240 189 I C 2.201 178.328 176.117 0.017 0.000 1.084 189 I CA 0.824 62.097 61.300 -0.045 0.000 1.365 189 I CB -0.326 37.594 38.000 -0.133 0.000 1.064 189 I HN 0.019 nan 8.210 nan 0.000 0.410 190 A N 1.057 123.854 122.820 -0.038 0.000 2.019 190 A HA -0.093 4.227 4.320 0.000 0.000 0.219 190 A C 2.388 179.940 177.584 -0.053 0.000 1.164 190 A CA 1.673 53.692 52.037 -0.031 0.000 0.644 190 A CB -1.329 17.609 19.000 -0.102 0.000 0.805 190 A HN 0.484 nan 8.150 nan 0.000 0.449 191 G N 0.004 108.750 108.800 -0.090 0.000 2.440 191 G HA2 -0.337 3.623 3.960 0.000 0.000 0.218 191 G HA3 -0.337 3.623 3.960 0.000 0.000 0.218 191 G C 1.223 176.120 174.900 -0.005 0.000 1.154 191 G CA 1.377 46.427 45.100 -0.084 0.000 0.767 191 G HN 0.565 nan 8.290 nan 0.000 0.552 192 D N -0.113 120.336 120.400 0.083 0.000 2.172 192 D HA 0.177 4.817 4.640 0.000 0.000 0.196 192 D C 1.257 177.575 176.300 0.030 0.000 0.999 192 D CA 1.859 55.930 54.000 0.118 0.000 0.856 192 D CB -0.154 40.840 40.800 0.325 0.000 0.934 192 D HN 0.575 nan 8.370 nan 0.000 0.453 193 G N -3.423 105.383 108.800 0.010 0.000 2.341 193 G HA2 0.112 4.072 3.960 0.000 0.000 0.293 193 G HA3 0.112 4.072 3.960 0.000 0.000 0.293 193 G C 0.586 175.450 174.900 -0.059 0.000 1.298 193 G CA 0.088 45.153 45.100 -0.060 0.000 0.868 193 G HN -0.070 nan 8.290 nan 0.000 0.540 194 S N -0.077 115.575 115.700 -0.081 0.000 2.380 194 S HA -0.227 4.243 4.470 0.000 0.000 0.229 194 S C 2.899 177.469 174.600 -0.051 0.000 1.050 194 S CA 3.265 61.426 58.200 -0.065 0.000 1.100 194 S CB -0.837 62.322 63.200 -0.069 0.000 0.984 194 S HN 1.658 nan 8.310 nan 0.000 0.434 195 A N 1.514 124.270 122.820 -0.106 0.000 1.849 195 A HA -0.123 4.197 4.320 0.000 0.000 0.217 195 A C 1.933 179.528 177.584 0.019 0.000 1.202 195 A CA 1.985 53.953 52.037 -0.115 0.000 0.629 195 A CB -1.142 17.684 19.000 -0.290 0.000 0.834 195 A HN 0.438 nan 8.150 nan 0.000 0.447 196 F N -0.166 119.778 119.950 -0.011 0.000 2.171 196 F HA -0.078 4.450 4.527 0.000 0.000 0.300 196 F C 2.395 178.183 175.800 -0.019 0.000 1.090 196 F CA 1.063 59.056 58.000 -0.011 0.000 1.293 196 F CB -0.834 38.156 39.000 -0.017 0.000 1.013 196 F HN 0.282 nan 8.300 nan 0.000 0.486 197 R N 0.691 121.279 120.500 0.147 0.000 2.094 197 R HA -0.196 4.144 4.340 0.000 0.000 0.239 197 R C 1.669 178.002 176.300 0.054 0.000 1.137 197 R CA 2.263 58.393 56.100 0.051 0.000 0.943 197 R CB -0.477 29.819 30.300 -0.007 0.000 0.850 197 R HN 0.154 nan 8.270 nan 0.000 0.433 198 D N 0.450 120.886 120.400 0.060 0.000 2.224 198 D HA -0.124 4.516 4.640 0.000 0.000 0.205 198 D C 1.818 178.181 176.300 0.105 0.000 0.965 198 D CA 0.534 54.570 54.000 0.060 0.000 0.852 198 D CB -0.093 40.730 40.800 0.039 0.000 0.947 198 D HN 0.180 nan 8.370 nan 0.000 0.494 199 L N 0.641 121.957 121.223 0.156 0.000 2.093 199 L HA -0.095 4.245 4.340 0.000 0.000 0.208 199 L C 2.217 179.243 176.870 0.259 0.000 1.085 199 L CA 1.102 56.081 54.840 0.233 0.000 0.755 199 L CB -0.445 41.778 42.059 0.274 0.000 0.904 199 L HN -0.151 nan 8.230 nan 0.000 0.435 200 V N -0.173 119.817 119.914 0.126 0.000 2.343 200 V HA -0.319 3.801 4.120 0.000 0.000 0.247 200 V C 2.474 178.634 176.094 0.110 0.000 1.051 200 V CA 2.170 64.509 62.300 0.066 0.000 1.036 200 V CB -0.494 31.337 31.823 0.012 0.000 0.654 200 V HN 0.390 nan 8.190 nan 0.000 0.451 201 I N -0.602 120.021 120.570 0.089 0.000 2.252 201 I HA -0.226 3.944 4.170 0.000 0.000 0.245 201 I C 2.531 178.700 176.117 0.086 0.000 1.102 201 I CA 1.510 62.851 61.300 0.068 0.000 1.385 201 I CB -0.480 37.545 38.000 0.042 0.000 1.064 201 I HN 0.243 nan 8.210 nan 0.000 0.414 202 K N 0.022 120.488 120.400 0.110 0.000 2.209 202 K HA -0.171 4.149 4.320 0.000 0.000 0.204 202 K C 1.655 178.273 176.600 0.030 0.000 1.048 202 K CA 1.250 57.574 56.287 0.062 0.000 0.940 202 K CB -0.197 32.330 32.500 0.045 0.000 0.729 202 K HN 0.407 nan 8.250 nan 0.000 0.451 203 H N -0.838 118.250 119.070 0.029 0.000 2.547 203 H HA 0.096 4.652 4.556 0.000 0.000 0.266 203 H C 0.783 176.128 175.328 0.029 0.000 0.988 203 H CA 0.712 56.779 56.048 0.030 0.000 1.147 203 H CB 0.408 30.192 29.762 0.036 0.000 1.365 203 H HN 0.400 nan 8.280 nan 0.000 0.589 204 G N 0.195 109.065 108.800 0.117 0.000 2.212 204 G HA2 -0.273 3.687 3.960 0.000 0.000 0.255 204 G HA3 -0.273 3.687 3.960 0.000 0.000 0.255 204 G C 1.214 176.158 174.900 0.073 0.000 1.062 204 G CA 0.443 45.588 45.100 0.074 0.000 0.815 204 G HN 0.600 nan 8.290 nan 0.000 0.497 205 A N -0.278 122.586 122.820 0.074 0.000 1.897 205 A HA 0.247 4.567 4.320 0.000 0.000 0.215 205 A C 2.417 180.020 177.584 0.031 0.000 1.181 205 A CA 1.687 53.755 52.037 0.053 0.000 0.620 205 A CB -0.277 18.746 19.000 0.038 0.000 0.821 205 A HN 0.834 nan 8.150 nan 0.000 0.443 206 I N 0.325 120.909 120.570 0.023 0.000 2.113 206 I HA -0.365 3.805 4.170 0.000 0.000 0.242 206 I C 2.037 178.162 176.117 0.013 0.000 1.057 206 I CA 1.877 63.184 61.300 0.011 0.000 1.314 206 I CB -0.635 37.371 38.000 0.010 0.000 1.022 206 I HN 0.335 nan 8.210 nan 0.000 0.408 207 D N 0.631 121.043 120.400 0.020 0.000 2.087 207 D HA -0.134 4.506 4.640 0.000 0.000 0.192 207 D C -0.248 176.067 176.300 0.024 0.000 0.993 207 D CA 1.619 55.631 54.000 0.020 0.000 0.828 207 D CB -1.828 38.986 40.800 0.023 0.000 0.968 207 D HN 0.263 nan 8.370 nan 0.000 0.448 208 P HA -0.118 nan 4.420 nan 0.000 0.216 208 P C 1.830 179.151 177.300 0.036 0.000 1.150 208 P CA 0.876 64.001 63.100 0.041 0.000 0.843 208 P CB -0.038 31.695 31.700 0.054 0.000 0.787 209 L N -1.542 119.694 121.223 0.021 0.000 1.961 209 L HA -0.173 4.168 4.340 0.000 0.000 0.210 209 L C 2.527 179.392 176.870 -0.008 0.000 1.072 209 L CA 1.475 56.315 54.840 0.000 0.000 0.749 209 L CB -1.265 40.783 42.059 -0.018 0.000 0.889 209 L HN -0.086 nan 8.230 nan 0.000 0.432 210 L N -0.167 121.052 121.223 -0.006 0.000 2.089 210 L HA -0.280 4.060 4.340 0.000 0.000 0.213 210 L C 2.850 179.722 176.870 0.003 0.000 1.079 210 L CA 1.273 56.108 54.840 -0.007 0.000 0.758 210 L CB -0.913 41.145 42.059 -0.002 0.000 0.891 210 L HN 0.332 nan 8.230 nan 0.000 0.433 211 A N 0.055 122.884 122.820 0.014 0.000 1.978 211 A HA -0.180 4.140 4.320 0.000 0.000 0.220 211 A C 2.219 179.823 177.584 0.033 0.000 1.170 211 A CA 1.441 53.492 52.037 0.024 0.000 0.636 211 A CB -0.688 18.330 19.000 0.030 0.000 0.810 211 A HN 0.425 nan 8.150 nan 0.000 0.448 212 L N -1.221 120.023 121.223 0.036 0.000 2.456 212 L HA -0.033 4.307 4.340 0.000 0.000 0.224 212 L C 1.593 178.487 176.870 0.040 0.000 1.148 212 L CA 0.586 55.464 54.840 0.063 0.000 0.825 212 L CB -0.179 41.913 42.059 0.057 0.000 0.937 212 L HN 0.370 nan 8.230 nan 0.000 0.450 213 L N -0.789 120.437 121.223 0.005 0.000 2.766 213 L HA 0.263 4.603 4.340 0.000 0.000 0.242 213 L C 1.285 178.157 176.870 0.003 0.000 1.136 213 L CA -0.372 54.462 54.840 -0.010 0.000 0.933 213 L CB 0.194 42.228 42.059 -0.041 0.000 1.241 213 L HN 0.014 nan 8.230 nan 0.000 0.522 214 A N 1.671 124.499 122.820 0.013 0.000 3.052 214 A HA 0.395 4.715 4.320 0.000 0.000 0.266 214 A C 0.154 177.748 177.584 0.018 0.000 1.855 214 A CA -0.004 52.041 52.037 0.013 0.000 1.473 214 A CB -0.993 18.016 19.000 0.015 0.000 1.038 214 A HN 0.129 nan 8.150 nan 0.000 0.619 215 V N -1.391 118.533 119.914 0.016 0.000 2.823 215 V HA 0.596 4.716 4.120 0.000 0.000 0.312 215 V C -1.951 174.154 176.094 0.018 0.000 1.072 215 V CA -1.771 60.542 62.300 0.020 0.000 0.937 215 V CB 1.309 33.149 31.823 0.028 0.000 1.013 215 V HN 0.311 nan 8.190 nan 0.000 0.430 216 P HA -0.013 nan 4.420 nan 0.000 0.215 216 P C -0.149 177.165 177.300 0.024 0.000 1.153 216 P CA 1.523 64.634 63.100 0.017 0.000 0.853 216 P CB 0.173 31.883 31.700 0.016 0.000 0.788 217 D N -1.509 118.910 120.400 0.031 0.000 2.542 217 D HA 0.130 4.770 4.640 0.000 0.000 0.252 217 D C 1.016 177.349 176.300 0.056 0.000 1.222 217 D CA -0.379 53.649 54.000 0.047 0.000 0.895 217 D CB 0.989 41.818 40.800 0.048 0.000 1.207 217 D HN -0.184 nan 8.370 nan 0.000 0.558 218 L N 1.901 123.159 121.223 0.057 0.000 2.189 218 L HA -0.169 4.172 4.340 0.000 0.000 0.214 218 L C 2.009 178.925 176.870 0.077 0.000 1.097 218 L CA 0.858 55.700 54.840 0.003 0.000 0.764 218 L CB -0.279 41.699 42.059 -0.135 0.000 0.900 218 L HN 0.301 nan 8.230 nan 0.000 0.436 219 S N -0.936 114.879 115.700 0.192 0.000 2.507 219 S HA -0.123 4.348 4.470 0.000 0.000 0.235 219 S C 1.984 176.651 174.600 0.111 0.000 0.988 219 S CA 1.450 59.772 58.200 0.203 0.000 0.944 219 S CB -0.302 62.990 63.200 0.154 0.000 0.762 219 S HN 0.663 nan 8.310 nan 0.000 0.526 220 T N -0.135 114.467 114.554 0.080 0.000 3.055 220 T HA 0.208 4.559 4.350 0.000 0.000 0.265 220 T C 0.548 175.286 174.700 0.065 0.000 1.111 220 T CA 0.100 62.235 62.100 0.059 0.000 1.118 220 T CB -0.382 68.513 68.868 0.045 0.000 0.909 220 T HN 0.170 nan 8.240 nan 0.000 0.501 221 L N 1.697 122.968 121.223 0.080 0.000 2.418 221 L HA 0.574 4.915 4.340 0.000 0.000 0.265 221 L C 0.865 177.805 176.870 0.116 0.000 1.143 221 L CA -1.114 53.793 54.840 0.111 0.000 0.809 221 L CB 0.417 42.551 42.059 0.125 0.000 1.124 221 L HN 0.163 nan 8.230 nan 0.000 0.456 222 A N 1.307 124.208 122.820 0.135 0.000 2.522 222 A HA 0.002 4.322 4.320 0.000 0.000 0.256 222 A C 1.175 178.842 177.584 0.139 0.000 1.086 222 A CA -0.190 51.915 52.037 0.114 0.000 0.763 222 A CB 0.065 19.117 19.000 0.088 0.000 1.024 222 A HN 1.082 nan 8.150 nan 0.000 0.502 223 C N 3.094 122.455 119.300 0.102 0.000 2.349 223 C HA -0.209 4.252 4.460 0.000 0.000 0.274 223 C C 2.767 177.804 174.990 0.078 0.000 1.178 223 C CA 2.284 61.359 59.018 0.094 0.000 1.769 223 C CB -1.520 26.266 27.740 0.076 0.000 2.047 223 C HN 0.985 nan 8.230 nan 0.000 0.448 224 G N -2.211 106.634 108.800 0.075 0.000 2.450 224 G HA2 -0.252 3.709 3.960 0.000 0.000 0.220 224 G HA3 -0.252 3.709 3.960 0.000 0.000 0.220 224 G C 1.439 176.393 174.900 0.090 0.000 1.130 224 G CA 1.114 46.246 45.100 0.054 0.000 0.760 224 G HN 0.721 nan 8.290 nan 0.000 0.557 225 Y N 0.656 120.957 120.300 0.001 0.000 2.200 225 Y HA -0.014 4.536 4.550 0.001 0.000 0.290 225 Y C 2.450 178.345 175.900 -0.008 0.000 1.137 225 Y CA 1.174 59.280 58.100 0.010 0.000 1.163 225 Y CB -0.421 38.054 38.460 0.025 0.000 0.988 225 Y HN 0.133 nan 8.280 nan 0.000 0.518 226 L N 0.796 122.005 121.223 -0.024 0.000 2.083 226 L HA -0.162 4.178 4.340 0.000 0.000 0.209 226 L C 2.305 179.095 176.870 -0.133 0.000 1.083 226 L CA 1.697 56.451 54.840 -0.143 0.000 0.752 226 L CB -0.664 41.333 42.059 -0.103 0.000 0.899 226 L HN 0.132 nan 8.230 nan 0.000 0.433 227 R N -0.747 119.709 120.500 -0.075 0.000 2.081 227 R HA -0.122 4.218 4.340 0.000 0.000 0.235 227 R C 2.125 178.376 176.300 -0.083 0.000 1.131 227 R CA 1.321 57.382 56.100 -0.065 0.000 0.960 227 R CB -0.617 29.641 30.300 -0.070 0.000 0.856 227 R HN 0.482 nan 8.270 nan 0.000 0.436 228 N N 0.960 119.578 118.700 -0.137 0.000 2.084 228 N HA -0.141 4.600 4.740 0.000 0.000 0.190 228 N C 1.925 177.408 175.510 -0.044 0.000 1.030 228 N CA 1.208 54.177 53.050 -0.135 0.000 0.849 228 N CB -0.080 38.325 38.487 -0.135 0.000 1.012 228 N HN 0.177 nan 8.380 nan 0.000 0.423 229 L N 0.735 121.857 121.223 -0.169 0.000 2.017 229 L HA -0.165 4.175 4.340 0.000 0.000 0.208 229 L C 2.390 179.209 176.870 -0.086 0.000 1.073 229 L CA 1.153 55.892 54.840 -0.167 0.000 0.745 229 L CB -0.795 41.098 42.059 -0.277 0.000 0.894 229 L HN 0.150 nan 8.230 nan 0.000 0.432 230 T N -1.240 113.277 114.554 -0.062 0.000 2.607 230 T HA -0.294 4.057 4.350 0.000 0.000 0.267 230 T C 1.301 176.024 174.700 0.038 0.000 1.049 230 T CA 1.916 64.007 62.100 -0.015 0.000 1.162 230 T CB -0.537 68.333 68.868 0.003 0.000 0.863 230 T HN 0.520 nan 8.240 nan 0.000 0.424 231 W N 1.798 123.027 121.300 -0.118 0.000 2.318 231 W HA -0.223 4.438 4.660 0.000 0.000 0.313 231 W C 2.370 178.831 176.519 -0.097 0.000 1.221 231 W CA 1.854 59.130 57.345 -0.114 0.000 1.266 231 W CB -1.005 28.332 29.460 -0.205 0.000 1.150 231 W HN 0.132 nan 8.180 nan 0.000 0.496 232 T N 1.559 115.971 114.554 -0.236 0.000 2.708 232 T HA -0.230 4.120 4.350 0.000 0.000 0.266 232 T C 1.962 176.470 174.700 -0.321 0.000 1.037 232 T CA 2.003 63.828 62.100 -0.460 0.000 1.146 232 T CB -0.639 68.109 68.868 -0.200 0.000 0.865 232 T HN 0.156 nan 8.240 nan 0.000 0.435 233 L N 1.394 122.514 121.223 -0.172 0.000 2.042 233 L HA -0.165 4.175 4.340 0.000 0.000 0.210 233 L C 2.944 179.758 176.870 -0.094 0.000 1.076 233 L CA 1.653 56.427 54.840 -0.110 0.000 0.749 233 L CB -0.794 41.227 42.059 -0.063 0.000 0.893 233 L HN 0.408 nan 8.230 nan 0.000 0.432 234 S N -0.044 115.605 115.700 -0.086 0.000 2.370 234 S HA -0.229 4.241 4.470 0.000 0.000 0.226 234 S C 1.784 176.379 174.600 -0.008 0.000 1.033 234 S CA 1.744 59.958 58.200 0.024 0.000 1.011 234 S CB -0.515 62.736 63.200 0.085 0.000 0.852 234 S HN 0.391 nan 8.310 nan 0.000 0.457 235 N N 1.530 120.073 118.700 -0.262 0.000 2.289 235 N HA 0.120 4.860 4.740 0.000 0.000 0.184 235 N C 1.439 176.828 175.510 -0.201 0.000 1.016 235 N CA 0.996 53.858 53.050 -0.314 0.000 0.872 235 N CB -0.577 37.581 38.487 -0.549 0.000 0.973 235 N HN 0.491 nan 8.380 nan 0.000 0.433 236 L N -0.826 120.307 121.223 -0.149 0.000 2.552 236 L HA -0.001 4.339 4.340 0.000 0.000 0.227 236 L C 0.975 177.818 176.870 -0.045 0.000 1.146 236 L CA 0.220 55.006 54.840 -0.090 0.000 0.858 236 L CB 0.021 42.037 42.059 -0.071 0.000 0.969 236 L HN 0.241 nan 8.230 nan 0.000 0.451 237 C N -1.505 117.787 119.300 -0.012 0.000 3.065 237 C HA 0.151 4.611 4.460 0.000 0.000 0.285 237 C C 1.618 176.616 174.990 0.013 0.000 1.257 237 C CA -0.589 58.461 59.018 0.053 0.000 1.691 237 C CB -0.422 27.409 27.740 0.151 0.000 2.089 237 C HN 0.325 nan 8.230 nan 0.000 0.630 238 R N 2.091 122.497 120.500 -0.157 0.000 2.637 238 R HA 0.250 4.591 4.340 0.000 0.000 0.269 238 R C -0.480 175.644 176.300 -0.294 0.000 1.089 238 R CA 0.306 56.115 56.100 -0.484 0.000 1.177 238 R CB 0.292 30.184 30.300 -0.680 0.000 1.091 238 R HN 0.451 nan 8.270 nan 0.000 0.540 239 N N 0.769 119.277 118.700 -0.319 0.000 4.497 239 N HA -0.146 4.594 4.740 0.000 0.000 0.341 239 N C -0.826 174.621 175.510 -0.104 0.000 1.998 239 N CA 0.507 53.450 53.050 -0.179 0.000 2.907 239 N CB -0.174 38.226 38.487 -0.144 0.000 0.374 239 N HN 0.711 nan 8.380 nan 0.000 0.762 240 K N 0.115 120.471 120.400 -0.073 0.000 2.464 240 K HA 0.195 4.515 4.320 0.000 0.000 0.206 240 K C -0.363 176.218 176.600 -0.032 0.000 1.186 240 K CA 0.035 56.299 56.287 -0.039 0.000 0.990 240 K CB 0.426 32.913 32.500 -0.021 0.000 1.003 240 K HN 0.326 nan 8.250 nan 0.000 0.562 241 N N 2.776 121.451 118.700 -0.041 0.000 2.936 241 N HA 0.193 4.934 4.740 0.000 0.000 0.243 241 N C -2.475 173.012 175.510 -0.038 0.000 1.149 241 N CA -0.840 52.190 53.050 -0.034 0.000 0.914 241 N CB 1.234 39.702 38.487 -0.033 0.000 1.179 241 N HN 0.180 nan 8.380 nan 0.000 0.502 242 P HA 0.420 nan 4.420 nan 0.000 0.297 242 P C -0.521 176.765 177.300 -0.024 0.000 1.307 242 P CA -0.494 62.593 63.100 -0.022 0.000 0.773 242 P CB 1.064 32.755 31.700 -0.015 0.000 1.265 243 A N 0.336 123.148 122.820 -0.014 0.000 2.287 243 A HA 0.534 4.854 4.320 0.000 0.000 0.273 243 A C -2.157 175.421 177.584 -0.009 0.000 1.091 243 A CA -1.383 50.648 52.037 -0.010 0.000 0.817 243 A CB -1.448 17.554 19.000 0.004 0.000 1.069 243 A HN 0.405 nan 8.150 nan 0.000 0.492 244 P HA 0.162 nan 4.420 nan 0.000 0.267 244 P C -2.477 174.825 177.300 0.003 0.000 1.201 244 P CA -0.458 62.639 63.100 -0.004 0.000 0.775 244 P CB -0.370 31.330 31.700 0.000 0.000 0.854 245 P HA 0.077 nan 4.420 nan 0.000 0.267 245 P C 1.005 178.310 177.300 0.008 0.000 1.205 245 P CA 0.205 63.309 63.100 0.006 0.000 0.765 245 P CB 0.241 31.946 31.700 0.008 0.000 0.828 246 L N 2.697 123.925 121.223 0.008 0.000 2.010 246 L HA -0.290 4.050 4.340 0.000 0.000 0.219 246 L C 1.957 178.833 176.870 0.009 0.000 1.077 246 L CA 2.073 56.918 54.840 0.009 0.000 0.773 246 L CB -0.755 41.308 42.059 0.008 0.000 0.892 246 L HN 0.531 nan 8.230 nan 0.000 0.436 247 D N -0.198 120.206 120.400 0.008 0.000 2.263 247 D HA -0.170 4.470 4.640 0.000 0.000 0.208 247 D C 1.977 178.282 176.300 0.008 0.000 0.971 247 D CA 1.268 55.273 54.000 0.008 0.000 0.867 247 D CB -0.026 40.778 40.800 0.007 0.000 0.929 247 D HN 0.409 nan 8.370 nan 0.000 0.492 248 A N 1.216 124.041 122.820 0.009 0.000 1.897 248 A HA -0.009 4.311 4.320 0.000 0.000 0.215 248 A C 2.608 180.197 177.584 0.009 0.000 1.181 248 A CA 0.967 53.009 52.037 0.009 0.000 0.620 248 A CB -0.651 18.354 19.000 0.008 0.000 0.821 248 A HN 0.171 nan 8.150 nan 0.000 0.443 249 V N 0.223 120.144 119.914 0.011 0.000 2.358 249 V HA -0.186 3.934 4.120 0.000 0.000 0.246 249 V C 2.528 178.630 176.094 0.013 0.000 1.047 249 V CA 1.970 64.278 62.300 0.014 0.000 1.035 249 V CB -0.760 31.074 31.823 0.018 0.000 0.658 249 V HN 0.457 nan 8.190 nan 0.000 0.452 250 E N 0.053 120.260 120.200 0.011 0.000 2.085 250 E HA -0.273 4.077 4.350 0.000 0.000 0.194 250 E C 2.213 178.818 176.600 0.008 0.000 0.994 250 E CA 1.532 57.938 56.400 0.009 0.000 0.801 250 E CB -0.284 29.421 29.700 0.008 0.000 0.743 250 E HN 0.694 nan 8.360 nan 0.000 0.453 251 Q N 0.005 119.810 119.800 0.008 0.000 2.050 251 Q HA -0.114 4.227 4.340 0.000 0.000 0.202 251 Q C 2.334 178.337 176.000 0.006 0.000 0.980 251 Q CA 1.098 56.905 55.803 0.007 0.000 0.840 251 Q CB -0.010 28.733 28.738 0.007 0.000 0.898 251 Q HN 0.272 nan 8.270 nan 0.000 0.424 252 I N 0.313 120.886 120.570 0.006 0.000 2.233 252 I HA -0.285 3.885 4.170 0.000 0.000 0.243 252 I C 2.285 178.406 176.117 0.007 0.000 1.093 252 I CA 0.611 61.913 61.300 0.003 0.000 1.380 252 I CB -0.314 37.688 38.000 0.003 0.000 1.067 252 I HN 0.273 nan 8.210 nan 0.000 0.413 253 L N 0.727 121.957 121.223 0.011 0.000 2.082 253 L HA -0.266 4.074 4.340 0.000 0.000 0.223 253 L C -0.285 176.594 176.870 0.015 0.000 1.086 253 L CA 2.230 57.079 54.840 0.014 0.000 0.793 253 L CB -1.874 40.194 42.059 0.015 0.000 0.896 253 L HN 0.209 nan 8.230 nan 0.000 0.441 254 P HA -0.150 nan 4.420 nan 0.000 0.214 254 P C 1.588 178.897 177.300 0.015 0.000 1.163 254 P CA 1.716 64.823 63.100 0.013 0.000 0.883 254 P CB -0.065 31.640 31.700 0.008 0.000 0.788 255 T N -0.335 114.224 114.554 0.008 0.000 2.788 255 T HA -0.123 4.227 4.350 0.000 0.000 0.268 255 T C 1.679 176.384 174.700 0.009 0.000 1.044 255 T CA 0.844 62.946 62.100 0.003 0.000 1.139 255 T CB -0.892 67.971 68.868 -0.008 0.000 0.867 255 T HN -0.062 nan 8.240 nan 0.000 0.454 256 L N 1.294 122.523 121.223 0.010 0.000 2.012 256 L HA -0.064 4.276 4.340 0.000 0.000 0.210 256 L C 2.574 179.462 176.870 0.030 0.000 1.073 256 L CA 1.452 56.300 54.840 0.013 0.000 0.748 256 L CB -0.993 41.072 42.059 0.011 0.000 0.891 256 L HN 0.100 nan 8.230 nan 0.000 0.431 257 V N -0.410 119.532 119.914 0.046 0.000 2.287 257 V HA -0.348 3.773 4.120 0.000 0.000 0.248 257 V C 2.742 178.934 176.094 0.164 0.000 1.053 257 V CA 2.168 64.524 62.300 0.093 0.000 1.027 257 V CB -0.691 31.183 31.823 0.085 0.000 0.646 257 V HN 0.489 nan 8.190 nan 0.000 0.447 258 R N -0.357 120.205 120.500 0.104 0.000 2.081 258 R HA -0.113 4.228 4.340 0.000 0.000 0.235 258 R C 2.238 178.609 176.300 0.119 0.000 1.131 258 R CA 1.511 57.676 56.100 0.108 0.000 0.960 258 R CB -0.297 30.030 30.300 0.045 0.000 0.856 258 R HN 0.457 nan 8.270 nan 0.000 0.436 259 L N 0.331 121.591 121.223 0.061 0.000 2.201 259 L HA -0.140 4.200 4.340 0.000 0.000 0.212 259 L C 2.036 178.945 176.870 0.065 0.000 1.105 259 L CA 0.387 55.249 54.840 0.037 0.000 0.775 259 L CB -0.222 41.832 42.059 -0.009 0.000 0.913 259 L HN 0.245 nan 8.230 nan 0.000 0.440 260 L N -1.113 120.132 121.223 0.037 0.000 2.633 260 L HA -0.134 4.206 4.340 0.000 0.000 0.235 260 L C 1.687 178.441 176.870 -0.193 0.000 1.163 260 L CA 1.446 56.244 54.840 -0.071 0.000 0.859 260 L CB -0.572 41.419 42.059 -0.112 0.000 0.973 260 L HN 0.284 nan 8.230 nan 0.000 0.451 261 H N -2.829 116.267 119.070 0.043 0.000 2.581 261 H HA 0.186 4.742 4.556 0.000 0.000 0.275 261 H C -0.218 175.156 175.328 0.077 0.000 1.126 261 H CA -0.265 55.807 56.048 0.040 0.000 1.097 261 H CB 0.204 29.983 29.762 0.028 0.000 1.626 261 H HN 0.307 nan 8.280 nan 0.000 0.565 262 H N 1.513 120.614 119.070 0.052 0.000 2.546 262 H HA 0.021 4.577 4.556 0.000 0.000 0.365 262 H C 1.234 176.569 175.328 0.012 0.000 1.220 262 H CA -0.086 55.982 56.048 0.034 0.000 1.386 262 H CB 0.968 30.742 29.762 0.021 0.000 1.510 262 H HN 0.238 nan 8.280 nan 0.000 0.591 263 N N 0.314 118.637 118.700 -0.628 0.000 2.412 263 N HA -0.041 4.699 4.740 0.000 0.000 0.184 263 N C -0.622 174.740 175.510 -0.247 0.000 1.101 263 N CA -0.011 52.823 53.050 -0.361 0.000 0.881 263 N CB 0.239 38.536 38.487 -0.316 0.000 0.969 263 N HN 0.446 nan 8.380 nan 0.000 0.459 264 D N 1.290 121.574 120.400 -0.194 0.000 2.325 264 D HA 0.152 4.792 4.640 0.000 0.000 0.251 264 D C -1.271 175.049 176.300 0.033 0.000 1.196 264 D CA -2.417 51.590 54.000 0.011 0.000 0.866 264 D CB 1.318 42.222 40.800 0.175 0.000 1.101 264 D HN -0.003 nan 8.370 nan 0.000 0.476 265 P HA -0.219 nan 4.420 nan 0.000 0.216 265 P C 0.887 178.201 177.300 0.022 0.000 1.150 265 P CA 1.130 64.231 63.100 0.002 0.000 0.843 265 P CB 0.430 32.126 31.700 -0.007 0.000 0.787 266 E N -0.067 120.153 120.200 0.033 0.000 2.023 266 E HA -0.110 4.240 4.350 0.000 0.000 0.196 266 E C 2.281 178.916 176.600 0.059 0.000 1.003 266 E CA 1.111 57.534 56.400 0.038 0.000 0.809 266 E CB -1.022 28.689 29.700 0.018 0.000 0.755 266 E HN 0.094 nan 8.360 nan 0.000 0.449 267 V N 1.984 121.942 119.914 0.073 0.000 2.332 267 V HA -0.264 3.857 4.120 0.000 0.000 0.248 267 V C 2.577 178.709 176.094 0.063 0.000 1.055 267 V CA 1.453 63.799 62.300 0.076 0.000 1.038 267 V CB -0.545 31.354 31.823 0.127 0.000 0.651 267 V HN 0.228 nan 8.190 nan 0.000 0.450 268 L N -0.279 120.975 121.223 0.051 0.000 2.017 268 L HA -0.196 4.144 4.340 0.000 0.000 0.208 268 L C 2.760 179.616 176.870 -0.023 0.000 1.073 268 L CA 1.708 56.549 54.840 0.001 0.000 0.745 268 L CB -0.838 41.208 42.059 -0.023 0.000 0.894 268 L HN 0.388 nan 8.230 nan 0.000 0.432 269 A N -0.094 122.730 122.820 0.007 0.000 1.865 269 A HA -0.256 4.064 4.320 0.000 0.000 0.217 269 A C 1.928 179.584 177.584 0.122 0.000 1.191 269 A CA 2.155 54.202 52.037 0.016 0.000 0.623 269 A CB -0.622 18.445 19.000 0.111 0.000 0.826 269 A HN 0.377 nan 8.150 nan 0.000 0.444 270 D N -0.485 120.045 120.400 0.217 0.000 2.219 270 D HA -0.037 4.603 4.640 0.000 0.000 0.205 270 D C 2.197 178.584 176.300 0.145 0.000 0.970 270 D CA 1.221 55.394 54.000 0.289 0.000 0.851 270 D CB -0.178 40.761 40.800 0.231 0.000 0.943 270 D HN 0.362 nan 8.370 nan 0.000 0.488 271 S N -0.353 115.378 115.700 0.052 0.000 2.368 271 S HA -0.120 4.350 4.470 0.000 0.000 0.224 271 S C 2.218 176.784 174.600 -0.057 0.000 1.029 271 S CA 0.504 58.703 58.200 -0.001 0.000 0.988 271 S CB -0.173 63.017 63.200 -0.017 0.000 0.838 271 S HN 0.373 nan 8.310 nan 0.000 0.462 272 C N 0.132 119.356 119.300 -0.127 0.000 2.429 272 C HA -0.090 4.370 4.460 0.000 0.000 0.277 272 C C 2.219 177.023 174.990 -0.310 0.000 1.262 272 C CA 0.250 59.119 59.018 -0.248 0.000 1.733 272 C CB -1.584 25.935 27.740 -0.369 0.000 2.010 272 C HN 0.754 nan 8.230 nan 0.000 0.483 273 W N 0.943 122.087 121.300 -0.260 0.000 2.335 273 W HA -0.179 4.481 4.660 0.001 0.000 0.311 273 W C 2.673 178.702 176.519 -0.817 0.000 1.213 273 W CA 1.270 58.284 57.345 -0.552 0.000 1.274 273 W CB -0.591 28.617 29.460 -0.419 0.000 1.148 273 W HN 0.311 nan 8.180 nan 0.000 0.498 274 A N 0.319 123.064 122.820 -0.124 0.000 1.873 274 A HA -0.243 4.077 4.320 0.000 0.000 0.218 274 A C 1.853 179.422 177.584 -0.026 0.000 1.193 274 A CA 2.031 54.065 52.037 -0.004 0.000 0.629 274 A CB -0.962 18.066 19.000 0.047 0.000 0.826 274 A HN 0.179 nan 8.150 nan 0.000 0.447 275 I N 1.082 121.612 120.570 -0.066 0.000 2.226 275 I HA -0.221 3.949 4.170 0.000 0.000 0.245 275 I C 2.906 178.997 176.117 -0.043 0.000 1.100 275 I CA 2.095 63.369 61.300 -0.044 0.000 1.374 275 I CB -1.617 36.342 38.000 -0.068 0.000 1.057 275 I HN 0.566 nan 8.210 nan 0.000 0.413 276 S N 0.781 116.403 115.700 -0.130 0.000 2.400 276 S HA -0.234 4.236 4.470 0.000 0.000 0.232 276 S C 2.127 176.782 174.600 0.091 0.000 1.025 276 S CA 1.120 59.278 58.200 -0.070 0.000 0.993 276 S CB -0.813 62.288 63.200 -0.164 0.000 0.808 276 S HN 0.352 nan 8.310 nan 0.000 0.478 277 Y N 1.987 122.363 120.300 0.126 0.000 2.133 277 Y HA 0.191 4.741 4.550 0.000 0.000 0.287 277 Y C 2.421 178.356 175.900 0.058 0.000 1.134 277 Y CA 0.093 58.252 58.100 0.097 0.000 1.133 277 Y CB -1.060 37.448 38.460 0.081 0.000 0.987 277 Y HN 0.216 nan 8.280 nan 0.000 0.502 278 L N -0.308 121.039 121.223 0.207 0.000 2.131 278 L HA -0.178 4.162 4.340 0.000 0.000 0.210 278 L C 2.172 179.094 176.870 0.087 0.000 1.092 278 L CA 1.912 56.823 54.840 0.117 0.000 0.759 278 L CB -1.012 41.095 42.059 0.079 0.000 0.903 278 L HN 0.342 nan 8.230 nan 0.000 0.435 279 T N -4.833 109.772 114.554 0.084 0.000 3.129 279 T HA -0.055 4.296 4.350 0.000 0.000 0.251 279 T C 0.675 175.428 174.700 0.088 0.000 1.117 279 T CA -0.095 62.044 62.100 0.065 0.000 1.034 279 T CB -0.248 68.645 68.868 0.041 0.000 0.968 279 T HN 0.048 nan 8.240 nan 0.000 0.526 280 D N 1.252 121.724 120.400 0.121 0.000 2.522 280 D HA 0.553 5.193 4.640 0.000 0.000 0.218 280 D C 0.463 176.817 176.300 0.091 0.000 1.149 280 D CA 0.082 54.159 54.000 0.128 0.000 0.981 280 D CB -0.089 40.812 40.800 0.168 0.000 1.041 280 D HN 0.540 nan 8.370 nan 0.000 0.518 281 G N 2.415 111.257 108.800 0.071 0.000 2.364 281 G HA2 0.274 4.234 3.960 0.000 0.000 0.286 281 G HA3 0.274 4.234 3.960 0.000 0.000 0.286 281 G C -2.753 172.170 174.900 0.038 0.000 1.241 281 G CA -0.856 44.273 45.100 0.049 0.000 0.887 281 G HN 0.256 nan 8.290 nan 0.000 0.484 282 P HA 0.240 nan 4.420 nan 0.000 0.271 282 P C 0.679 177.988 177.300 0.016 0.000 1.233 282 P CA -0.203 62.908 63.100 0.019 0.000 0.789 282 P CB 0.502 32.210 31.700 0.014 0.000 0.951 283 N N 0.303 119.009 118.700 0.010 0.000 2.205 283 N HA -0.198 4.542 4.740 0.000 0.000 0.186 283 N C 1.058 176.571 175.510 0.005 0.000 1.015 283 N CA 0.828 53.881 53.050 0.005 0.000 0.862 283 N CB -0.106 38.381 38.487 -0.001 0.000 0.986 283 N HN 0.516 nan 8.380 nan 0.000 0.429 284 E N 0.731 120.935 120.200 0.007 0.000 2.153 284 E HA -0.083 4.267 4.350 0.000 0.000 0.194 284 E C 1.850 178.456 176.600 0.009 0.000 0.988 284 E CA 0.735 57.139 56.400 0.006 0.000 0.811 284 E CB 0.083 29.787 29.700 0.006 0.000 0.746 284 E HN 0.224 nan 8.360 nan 0.000 0.466 285 R N 0.394 120.902 120.500 0.014 0.000 2.061 285 R HA 0.007 4.348 4.340 0.000 0.000 0.230 285 R C 2.462 178.773 176.300 0.019 0.000 1.140 285 R CA 1.042 57.154 56.100 0.019 0.000 0.940 285 R CB -0.855 29.462 30.300 0.027 0.000 0.839 285 R HN 0.276 nan 8.270 nan 0.000 0.429 286 I N 1.037 121.618 120.570 0.017 0.000 2.185 286 I HA -0.306 3.864 4.170 0.000 0.000 0.246 286 I C 2.476 178.596 176.117 0.005 0.000 1.088 286 I CA 1.522 62.829 61.300 0.012 0.000 1.347 286 I CB -0.367 37.636 38.000 0.005 0.000 1.041 286 I HN 0.149 nan 8.210 nan 0.000 0.415 287 E N 1.655 121.857 120.200 0.003 0.000 2.058 287 E HA -0.249 4.102 4.350 0.000 0.000 0.194 287 E C 2.247 178.849 176.600 0.003 0.000 0.997 287 E CA 1.898 58.298 56.400 0.001 0.000 0.801 287 E CB -0.337 29.363 29.700 -0.000 0.000 0.746 287 E HN 0.537 nan 8.360 nan 0.000 0.450 288 M N -1.355 118.249 119.600 0.007 0.000 2.446 288 M HA -0.064 4.416 4.480 0.000 0.000 0.263 288 M C 1.724 178.030 176.300 0.009 0.000 1.066 288 M CA 1.095 56.400 55.300 0.008 0.000 1.087 288 M CB -0.202 32.404 32.600 0.010 0.000 1.406 288 M HN -0.036 nan 8.290 nan 0.000 0.459 289 V N 0.562 120.481 119.914 0.009 0.000 2.300 289 V HA -0.118 4.002 4.120 0.000 0.000 0.241 289 V C 2.599 178.696 176.094 0.004 0.000 1.034 289 V CA 1.183 63.488 62.300 0.009 0.000 1.021 289 V CB -0.334 31.495 31.823 0.009 0.000 0.662 289 V HN 0.316 nan 8.190 nan 0.000 0.458 290 V N 0.091 120.005 119.914 -0.000 0.000 2.453 290 V HA -0.311 3.809 4.120 0.000 0.000 0.252 290 V C 2.450 178.544 176.094 -0.000 0.000 1.068 290 V CA 2.171 64.469 62.300 -0.004 0.000 1.070 290 V CB -0.740 31.077 31.823 -0.010 0.000 0.664 290 V HN 0.464 nan 8.190 nan 0.000 0.461 291 K N 0.108 120.509 120.400 0.001 0.000 2.281 291 K HA -0.126 4.195 4.320 0.000 0.000 0.203 291 K C 1.795 178.398 176.600 0.005 0.000 1.046 291 K CA 0.958 57.246 56.287 0.002 0.000 0.938 291 K CB -0.049 32.452 32.500 0.002 0.000 0.737 291 K HN 0.249 nan 8.250 nan 0.000 0.458 292 K N -0.779 119.626 120.400 0.009 0.000 2.444 292 K HA 0.137 4.458 4.320 0.000 0.000 0.193 292 K C 0.543 177.155 176.600 0.021 0.000 1.024 292 K CA 0.740 57.036 56.287 0.014 0.000 1.077 292 K CB 0.236 32.748 32.500 0.019 0.000 0.833 292 K HN 0.298 nan 8.250 nan 0.000 0.517 293 G N 2.010 110.820 108.800 0.016 0.000 2.273 293 G HA2 -0.266 3.695 3.960 0.000 0.000 0.280 293 G HA3 -0.266 3.695 3.960 0.000 0.000 0.280 293 G C 0.726 175.649 174.900 0.038 0.000 1.047 293 G CA 0.559 45.671 45.100 0.020 0.000 0.869 293 G HN 0.258 nan 8.290 nan 0.000 0.502 294 V N -3.367 116.565 119.914 0.031 0.000 3.506 294 V HA 0.163 4.284 4.120 0.000 0.000 0.263 294 V C 2.353 178.446 176.094 -0.002 0.000 1.203 294 V CA 1.321 63.640 62.300 0.032 0.000 1.133 294 V CB 0.073 31.905 31.823 0.013 0.000 0.802 294 V HN 0.290 nan 8.190 nan 0.000 0.459 295 V N 1.145 121.055 119.914 -0.006 0.000 2.282 295 V HA -0.178 3.942 4.120 0.000 0.000 0.249 295 V C 0.561 176.644 176.094 -0.019 0.000 1.057 295 V CA 3.156 65.445 62.300 -0.019 0.000 1.032 295 V CB -1.821 29.991 31.823 -0.019 0.000 0.645 295 V HN 0.510 nan 8.190 nan 0.000 0.447 296 P HA -0.216 nan 4.420 nan 0.000 0.214 296 P C 1.792 179.085 177.300 -0.011 0.000 1.163 296 P CA 1.615 64.717 63.100 0.003 0.000 0.889 296 P CB -0.069 31.646 31.700 0.024 0.000 0.790 297 Q N -0.389 119.403 119.800 -0.014 0.000 2.135 297 Q HA -0.158 4.183 4.340 0.000 0.000 0.204 297 Q C 1.954 177.885 176.000 -0.114 0.000 0.981 297 Q CA 1.620 57.368 55.803 -0.092 0.000 0.856 297 Q CB -1.182 27.415 28.738 -0.235 0.000 0.902 297 Q HN 0.183 nan 8.270 nan 0.000 0.425 298 L N -1.215 119.954 121.223 -0.091 0.000 2.056 298 L HA -0.135 4.206 4.340 0.000 0.000 0.207 298 L C 2.260 179.083 176.870 -0.079 0.000 1.078 298 L CA 0.833 55.616 54.840 -0.096 0.000 0.749 298 L CB -0.544 41.466 42.059 -0.082 0.000 0.901 298 L HN 0.103 nan 8.230 nan 0.000 0.433 299 V N 0.375 120.257 119.914 -0.052 0.000 2.392 299 V HA -0.333 3.787 4.120 0.000 0.000 0.249 299 V C 2.600 178.667 176.094 -0.045 0.000 1.059 299 V CA 2.045 64.324 62.300 -0.035 0.000 1.051 299 V CB -0.561 31.253 31.823 -0.016 0.000 0.658 299 V HN 0.463 nan 8.190 nan 0.000 0.455 300 K N 0.065 120.435 120.400 -0.049 0.000 2.002 300 K HA -0.156 4.164 4.320 0.000 0.000 0.209 300 K C 2.095 178.653 176.600 -0.070 0.000 1.048 300 K CA 1.673 57.930 56.287 -0.050 0.000 0.930 300 K CB -0.267 32.206 32.500 -0.046 0.000 0.714 300 K HN 0.395 nan 8.250 nan 0.000 0.438 301 L N 1.117 122.284 121.223 -0.093 0.000 2.265 301 L HA -0.144 4.196 4.340 0.000 0.000 0.215 301 L C 2.348 179.153 176.870 -0.109 0.000 1.117 301 L CA 0.150 54.926 54.840 -0.106 0.000 0.782 301 L CB -0.305 41.675 42.059 -0.132 0.000 0.914 301 L HN 0.253 nan 8.230 nan 0.000 0.441 302 L N 0.063 121.224 121.223 -0.104 0.000 2.191 302 L HA -0.073 4.268 4.340 0.000 0.000 0.212 302 L C 2.128 178.929 176.870 -0.116 0.000 1.103 302 L CA 1.719 56.489 54.840 -0.117 0.000 0.769 302 L CB -0.679 41.321 42.059 -0.098 0.000 0.908 302 L HN 0.129 nan 8.230 nan 0.000 0.438 303 G N -1.340 107.407 108.800 -0.089 0.000 2.985 303 G HA2 0.254 4.215 3.960 0.000 0.000 0.209 303 G HA3 0.254 4.215 3.960 0.000 0.000 0.209 303 G C 0.766 175.623 174.900 -0.072 0.000 1.165 303 G CA 0.280 45.333 45.100 -0.078 0.000 0.776 303 G HN 0.584 nan 8.290 nan 0.000 0.541 304 A N 0.338 123.111 122.820 -0.077 0.000 2.577 304 A HA 0.362 4.682 4.320 0.000 0.000 0.233 304 A C 1.872 179.419 177.584 -0.061 0.000 1.076 304 A CA 1.092 53.089 52.037 -0.068 0.000 0.767 304 A CB 0.203 19.157 19.000 -0.076 0.000 1.017 304 A HN 0.550 nan 8.150 nan 0.000 0.511 305 T N -1.269 113.256 114.554 -0.048 0.000 3.057 305 T HA 0.136 4.486 4.350 0.000 0.000 0.254 305 T C 0.177 174.855 174.700 -0.037 0.000 1.094 305 T CA 0.867 62.943 62.100 -0.041 0.000 1.088 305 T CB -0.239 68.610 68.868 -0.031 0.000 0.934 305 T HN 0.629 nan 8.240 nan 0.000 0.497 306 E N 1.566 121.743 120.200 -0.038 0.000 2.105 306 E HA 0.397 4.747 4.350 0.000 0.000 0.285 306 E C 0.763 177.342 176.600 -0.036 0.000 1.055 306 E CA -0.384 55.998 56.400 -0.030 0.000 0.843 306 E CB 1.398 31.084 29.700 -0.024 0.000 1.067 306 E HN 0.052 nan 8.360 nan 0.000 0.398 307 L N 6.363 127.570 121.223 -0.026 0.000 2.089 307 L HA -0.122 4.218 4.340 0.000 0.000 0.213 307 L C -1.028 175.832 176.870 -0.017 0.000 1.079 307 L CA 2.040 56.864 54.840 -0.026 0.000 0.758 307 L CB -0.730 41.324 42.059 -0.009 0.000 0.891 307 L HN 0.507 nan 8.230 nan 0.000 0.433 308 P HA -0.111 nan 4.420 nan 0.000 0.222 308 P C 1.750 179.047 177.300 -0.006 0.000 1.147 308 P CA 1.462 64.589 63.100 0.045 0.000 0.790 308 P CB 0.087 31.821 31.700 0.056 0.000 0.780 309 I N -2.249 118.285 120.570 -0.060 0.000 2.729 309 I HA -0.092 4.078 4.170 0.000 0.000 0.256 309 I C 2.083 178.093 176.117 -0.178 0.000 1.115 309 I CA 0.515 61.742 61.300 -0.122 0.000 1.446 309 I CB -0.538 37.407 38.000 -0.093 0.000 1.176 309 I HN -0.264 nan 8.210 nan 0.000 0.446 310 V N 1.081 120.915 119.914 -0.135 0.000 2.282 310 V HA -0.329 3.792 4.120 0.000 0.000 0.249 310 V C 2.542 178.525 176.094 -0.186 0.000 1.057 310 V CA 2.622 64.832 62.300 -0.149 0.000 1.032 310 V CB -1.007 30.746 31.823 -0.117 0.000 0.645 310 V HN 0.466 nan 8.190 nan 0.000 0.447 311 T N 0.836 115.289 114.554 -0.168 0.000 2.607 311 T HA -0.137 4.213 4.350 0.000 0.000 0.267 311 T C 0.115 174.576 174.700 -0.397 0.000 1.049 311 T CA 2.315 64.304 62.100 -0.184 0.000 1.162 311 T CB -1.376 67.457 68.868 -0.059 0.000 0.863 311 T HN 0.535 nan 8.240 nan 0.000 0.424 312 P HA 0.044 nan 4.420 nan 0.000 0.219 312 P C 1.408 178.342 177.300 -0.610 0.000 1.150 312 P CA 1.321 63.699 63.100 -1.203 0.000 0.814 312 P CB -0.149 30.312 31.700 -2.064 0.000 0.787 313 A N 0.509 123.076 122.820 -0.422 0.000 1.877 313 A HA -0.170 4.150 4.320 0.000 0.000 0.216 313 A C 2.214 179.686 177.584 -0.187 0.000 1.186 313 A CA 1.651 53.529 52.037 -0.264 0.000 0.620 313 A CB -1.708 17.168 19.000 -0.208 0.000 0.822 313 A HN 0.200 nan 8.150 nan 0.000 0.443 314 L N -0.524 120.594 121.223 -0.175 0.000 2.275 314 L HA -0.060 4.280 4.340 0.000 0.000 0.215 314 L C 2.250 179.112 176.870 -0.013 0.000 1.119 314 L CA 2.155 56.940 54.840 -0.093 0.000 0.790 314 L CB -0.602 41.397 42.059 -0.100 0.000 0.919 314 L HN 0.393 nan 8.230 nan 0.000 0.443 315 R N 0.102 120.559 120.500 -0.072 0.000 2.073 315 R HA 0.052 4.393 4.340 0.000 0.000 0.229 315 R C 2.139 178.468 176.300 0.049 0.000 1.120 315 R CA 1.617 57.739 56.100 0.037 0.000 0.967 315 R CB -0.908 29.338 30.300 -0.089 0.000 0.862 315 R HN 0.400 nan 8.270 nan 0.000 0.436 316 A N 1.174 123.955 122.820 -0.066 0.000 1.858 316 A HA -0.100 4.221 4.320 0.000 0.000 0.216 316 A C 2.088 179.658 177.584 -0.025 0.000 1.190 316 A CA 1.615 53.625 52.037 -0.046 0.000 0.617 316 A CB -0.634 18.307 19.000 -0.099 0.000 0.827 316 A HN 0.288 nan 8.150 nan 0.000 0.443 317 I N 0.237 120.783 120.570 -0.039 0.000 2.151 317 I HA -0.234 3.937 4.170 0.000 0.000 0.243 317 I C 2.701 178.775 176.117 -0.071 0.000 1.080 317 I CA 1.676 62.953 61.300 -0.037 0.000 1.339 317 I CB -2.063 35.934 38.000 -0.005 0.000 1.039 317 I HN 0.370 nan 8.210 nan 0.000 0.409 318 G N 1.020 109.786 108.800 -0.056 0.000 2.442 318 G HA2 -0.263 3.697 3.960 0.000 0.000 0.219 318 G HA3 -0.263 3.697 3.960 0.000 0.000 0.219 318 G C 1.537 176.218 174.900 -0.365 0.000 1.141 318 G CA 0.653 45.575 45.100 -0.297 0.000 0.763 318 G HN 0.349 nan 8.290 nan 0.000 0.554 319 N N 0.605 119.303 118.700 -0.002 0.000 2.135 319 N HA 0.011 4.751 4.740 0.000 0.000 0.186 319 N C 2.273 177.768 175.510 -0.024 0.000 1.027 319 N CA 0.577 53.672 53.050 0.076 0.000 0.849 319 N CB -0.261 38.314 38.487 0.146 0.000 1.002 319 N HN 0.316 nan 8.380 nan 0.000 0.425 320 I N 1.252 121.797 120.570 -0.041 0.000 2.335 320 I HA -0.186 3.984 4.170 0.000 0.000 0.251 320 I C 1.579 177.644 176.117 -0.086 0.000 1.129 320 I CA 0.900 62.170 61.300 -0.050 0.000 1.402 320 I CB -0.222 37.749 38.000 -0.048 0.000 1.069 320 I HN -0.008 nan 8.210 nan 0.000 0.424 321 V N -1.990 117.836 119.914 -0.146 0.000 3.602 321 V HA 0.046 4.167 4.120 0.000 0.000 0.289 321 V C 1.614 177.598 176.094 -0.184 0.000 1.265 321 V CA 1.061 63.255 62.300 -0.177 0.000 1.202 321 V CB -1.477 30.204 31.823 -0.236 0.000 1.012 321 V HN 0.495 nan 8.190 nan 0.000 0.431 322 T N -3.447 111.025 114.554 -0.137 0.000 3.069 322 T HA 0.431 4.781 4.350 0.000 0.000 0.252 322 T C 1.065 175.735 174.700 -0.050 0.000 1.053 322 T CA 0.495 62.538 62.100 -0.094 0.000 0.964 322 T CB 0.385 69.235 68.868 -0.031 0.000 1.005 322 T HN 0.639 nan 8.240 nan 0.000 0.532 323 G N 1.988 110.758 108.800 -0.051 0.000 2.531 323 G HA2 0.471 4.431 3.960 0.000 0.000 0.253 323 G HA3 0.471 4.431 3.960 0.000 0.000 0.253 323 G C 0.199 175.076 174.900 -0.037 0.000 1.439 323 G CA -0.119 44.962 45.100 -0.033 0.000 1.056 323 G HN 0.524 nan 8.290 nan 0.000 0.555 324 T N -1.677 112.860 114.554 -0.029 0.000 2.855 324 T HA 0.117 4.467 4.350 0.000 0.000 0.314 324 T C 0.646 175.323 174.700 -0.039 0.000 1.077 324 T CA 0.290 62.372 62.100 -0.029 0.000 1.095 324 T CB 0.874 69.729 68.868 -0.022 0.000 0.987 324 T HN 0.284 nan 8.240 nan 0.000 0.546 325 D N 1.008 121.385 120.400 -0.038 0.000 2.218 325 D HA -0.063 4.577 4.640 0.000 0.000 0.204 325 D C 1.878 178.152 176.300 -0.043 0.000 0.976 325 D CA 1.076 55.050 54.000 -0.045 0.000 0.853 325 D CB -0.125 40.651 40.800 -0.041 0.000 0.939 325 D HN 0.697 nan 8.370 nan 0.000 0.481 326 E N 0.643 120.822 120.200 -0.035 0.000 2.106 326 E HA -0.114 4.236 4.350 0.000 0.000 0.192 326 E C 2.133 178.713 176.600 -0.034 0.000 0.984 326 E CA 0.751 57.133 56.400 -0.031 0.000 0.806 326 E CB -0.203 29.483 29.700 -0.023 0.000 0.750 326 E HN 0.416 nan 8.360 nan 0.000 0.458 327 Q N -0.256 119.523 119.800 -0.036 0.000 2.079 327 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 327 Q C 2.074 178.043 176.000 -0.052 0.000 0.974 327 Q CA 1.642 57.422 55.803 -0.038 0.000 0.840 327 Q CB -0.146 28.572 28.738 -0.034 0.000 0.898 327 Q HN 0.232 nan 8.270 nan 0.000 0.430 328 T N 0.963 115.479 114.554 -0.063 0.000 2.708 328 T HA -0.218 4.132 4.350 0.000 0.000 0.266 328 T C 1.763 176.415 174.700 -0.080 0.000 1.037 328 T CA 1.509 63.558 62.100 -0.085 0.000 1.146 328 T CB -0.241 68.570 68.868 -0.095 0.000 0.865 328 T HN 0.164 nan 8.240 nan 0.000 0.435 329 Q N 1.356 121.118 119.800 -0.064 0.000 2.112 329 Q HA -0.158 4.183 4.340 0.000 0.000 0.206 329 Q C 2.150 178.120 176.000 -0.051 0.000 0.987 329 Q CA 1.580 57.349 55.803 -0.056 0.000 0.858 329 Q CB -0.221 28.491 28.738 -0.042 0.000 0.905 329 Q HN 0.237 nan 8.270 nan 0.000 0.420 330 K N -0.307 120.066 120.400 -0.044 0.000 2.044 330 K HA -0.145 4.176 4.320 0.000 0.000 0.210 330 K C 2.092 178.668 176.600 -0.041 0.000 1.049 330 K CA 1.692 57.958 56.287 -0.036 0.000 0.927 330 K CB -1.204 31.278 32.500 -0.031 0.000 0.713 330 K HN 0.440 nan 8.250 nan 0.000 0.443 331 V N -1.024 118.857 119.914 -0.056 0.000 2.453 331 V HA -0.145 3.976 4.120 0.000 0.000 0.247 331 V C 2.227 178.277 176.094 -0.073 0.000 1.048 331 V CA 1.157 63.421 62.300 -0.060 0.000 1.049 331 V CB -0.601 31.178 31.823 -0.073 0.000 0.672 331 V HN 0.123 nan 8.190 nan 0.000 0.457 332 I N 0.909 121.423 120.570 -0.093 0.000 2.142 332 I HA -0.184 3.986 4.170 0.000 0.000 0.240 332 I C 2.534 178.617 176.117 -0.056 0.000 1.078 332 I CA 2.159 63.395 61.300 -0.107 0.000 1.343 332 I CB -0.743 37.194 38.000 -0.105 0.000 1.046 332 I HN 0.290 nan 8.210 nan 0.000 0.405 333 D N 1.213 121.591 120.400 -0.036 0.000 2.221 333 D HA -0.155 4.485 4.640 0.000 0.000 0.204 333 D C 2.092 178.387 176.300 -0.008 0.000 0.982 333 D CA 1.469 55.460 54.000 -0.015 0.000 0.857 333 D CB -0.018 40.773 40.800 -0.015 0.000 0.934 333 D HN 0.399 nan 8.370 nan 0.000 0.475 334 A N -0.110 122.699 122.820 -0.018 0.000 2.119 334 A HA 0.303 4.623 4.320 0.000 0.000 0.216 334 A C 1.896 179.478 177.584 -0.002 0.000 1.152 334 A CA 1.420 53.452 52.037 -0.010 0.000 0.708 334 A CB -0.014 18.977 19.000 -0.015 0.000 0.805 334 A HN 0.290 nan 8.150 nan 0.000 0.460 335 G N -2.307 106.488 108.800 -0.008 0.000 2.163 335 G HA2 0.004 3.964 3.960 0.000 0.000 0.213 335 G HA3 0.004 3.964 3.960 0.000 0.000 0.213 335 G C 1.214 176.109 174.900 -0.009 0.000 0.991 335 G CA 0.999 46.104 45.100 0.009 0.000 0.653 335 G HN 1.322 nan 8.290 nan 0.000 0.518 336 A N 0.601 123.409 122.820 -0.022 0.000 1.896 336 A HA -0.076 4.244 4.320 0.000 0.000 0.220 336 A C 2.514 180.156 177.584 0.096 0.000 1.206 336 A CA 2.191 54.257 52.037 0.048 0.000 0.647 336 A CB -0.609 18.405 19.000 0.024 0.000 0.828 336 A HN 1.063 nan 8.150 nan 0.000 0.455 337 L N -1.018 120.090 121.223 -0.191 0.000 2.051 337 L HA -0.317 4.023 4.340 0.000 0.000 0.214 337 L C 3.023 179.863 176.870 -0.050 0.000 1.076 337 L CA 1.390 56.021 54.840 -0.348 0.000 0.758 337 L CB -0.828 40.680 42.059 -0.918 0.000 0.890 337 L HN 0.501 nan 8.230 nan 0.000 0.433 338 A N -0.524 122.295 122.820 -0.002 0.000 2.084 338 A HA -0.127 4.193 4.320 0.000 0.000 0.221 338 A C 2.169 179.807 177.584 0.090 0.000 1.161 338 A CA 1.790 53.919 52.037 0.152 0.000 0.653 338 A CB -0.605 18.487 19.000 0.153 0.000 0.802 338 A HN 0.308 nan 8.150 nan 0.000 0.457 339 V N -2.001 117.970 119.914 0.095 0.000 3.354 339 V HA -0.040 4.080 4.120 0.000 0.000 0.258 339 V C 1.888 177.896 176.094 -0.144 0.000 1.159 339 V CA 0.705 62.988 62.300 -0.029 0.000 1.125 339 V CB -0.919 30.855 31.823 -0.082 0.000 0.774 339 V HN 0.509 nan 8.190 nan 0.000 0.464 340 F N 0.692 120.535 119.950 -0.178 0.000 2.269 340 F HA -0.027 4.500 4.527 0.000 0.000 0.301 340 F C -0.040 175.507 175.800 -0.423 0.000 1.082 340 F CA 1.083 58.943 58.000 -0.233 0.000 1.360 340 F CB -1.967 36.918 39.000 -0.192 0.000 1.041 340 F HN 0.313 nan 8.300 nan 0.000 0.512 341 P HA -0.159 nan 4.420 nan 0.000 0.215 341 P C 2.017 178.950 177.300 -0.611 0.000 1.153 341 P CA 1.853 64.236 63.100 -1.195 0.000 0.853 341 P CB 0.001 31.287 31.700 -0.690 0.000 0.788 342 S N -1.027 114.486 115.700 -0.312 0.000 2.338 342 S HA -0.098 4.372 4.470 0.000 0.000 0.218 342 S C 1.795 176.275 174.600 -0.199 0.000 1.032 342 S CA 1.089 59.179 58.200 -0.183 0.000 0.999 342 S CB -1.125 61.990 63.200 -0.142 0.000 0.905 342 S HN -0.035 nan 8.310 nan 0.000 0.439 343 L N 1.106 122.153 121.223 -0.292 0.000 2.079 343 L HA -0.093 4.247 4.340 0.000 0.000 0.210 343 L C 2.079 178.828 176.870 -0.202 0.000 1.081 343 L CA 1.064 55.716 54.840 -0.313 0.000 0.752 343 L CB -0.562 41.134 42.059 -0.606 0.000 0.896 343 L HN 0.326 nan 8.230 nan 0.000 0.433 344 L N -0.383 120.728 121.223 -0.188 0.000 2.610 344 L HA -0.045 4.295 4.340 0.000 0.000 0.232 344 L C 1.471 178.361 176.870 0.034 0.000 1.149 344 L CA 0.912 55.726 54.840 -0.043 0.000 0.872 344 L CB -0.529 41.532 42.059 0.002 0.000 0.992 344 L HN 0.437 nan 8.230 nan 0.000 0.447 345 T N -6.133 108.421 114.554 0.001 0.000 3.209 345 T HA 0.094 4.444 4.350 0.000 0.000 0.295 345 T C 0.385 175.095 174.700 0.018 0.000 0.977 345 T CA -0.531 61.606 62.100 0.062 0.000 0.922 345 T CB -0.379 68.570 68.868 0.136 0.000 1.152 345 T HN 0.071 nan 8.240 nan 0.000 0.527 346 N N 2.869 121.555 118.700 -0.022 0.000 2.412 346 N HA 0.146 4.886 4.740 0.000 0.000 0.254 346 N C -1.558 173.948 175.510 -0.006 0.000 1.232 346 N CA -1.094 51.938 53.050 -0.030 0.000 0.880 346 N CB 0.979 39.429 38.487 -0.061 0.000 1.076 346 N HN -0.076 nan 8.380 nan 0.000 0.458 347 P HA -0.115 nan 4.420 nan 0.000 0.217 347 P C -0.465 176.839 177.300 0.007 0.000 1.150 347 P CA 1.152 64.256 63.100 0.006 0.000 0.832 347 P CB 0.186 31.889 31.700 0.005 0.000 0.787 348 K N 0.499 120.899 120.400 0.000 0.000 2.228 348 K HA 0.054 4.374 4.320 0.000 0.000 0.284 348 K C 1.335 177.940 176.600 0.009 0.000 1.088 348 K CA 0.264 56.555 56.287 0.006 0.000 0.941 348 K CB -1.014 31.487 32.500 0.001 0.000 1.158 348 K HN -0.061 nan 8.250 nan 0.000 0.438 349 T N 2.870 117.435 114.554 0.018 0.000 2.635 349 T HA -0.371 3.979 4.350 0.000 0.000 0.265 349 T C 1.648 176.363 174.700 0.025 0.000 1.058 349 T CA 2.557 64.672 62.100 0.025 0.000 1.162 349 T CB -0.485 68.402 68.868 0.031 0.000 0.859 349 T HN 0.820 nan 8.240 nan 0.000 0.449 350 N N 0.573 119.287 118.700 0.024 0.000 2.104 350 N HA -0.100 4.640 4.740 0.000 0.000 0.190 350 N C 1.994 177.516 175.510 0.021 0.000 1.024 350 N CA 1.968 55.032 53.050 0.024 0.000 0.853 350 N CB -0.579 37.926 38.487 0.030 0.000 1.008 350 N HN 0.500 nan 8.380 nan 0.000 0.424 351 I N 0.649 121.223 120.570 0.007 0.000 2.286 351 I HA -0.212 3.959 4.170 0.000 0.000 0.248 351 I C 2.354 178.463 176.117 -0.013 0.000 1.115 351 I CA 1.237 62.527 61.300 -0.017 0.000 1.392 351 I CB -1.278 36.694 38.000 -0.047 0.000 1.065 351 I HN 0.521 nan 8.210 nan 0.000 0.418 352 Q N 0.687 120.488 119.800 0.001 0.000 2.119 352 Q HA -0.221 4.120 4.340 0.000 0.000 0.201 352 Q C 2.331 178.364 176.000 0.056 0.000 0.972 352 Q CA 1.430 57.243 55.803 0.017 0.000 0.847 352 Q CB 0.110 28.863 28.738 0.024 0.000 0.903 352 Q HN 0.345 nan 8.270 nan 0.000 0.433 353 K N 0.110 120.546 120.400 0.059 0.000 2.007 353 K HA -0.160 4.160 4.320 0.000 0.000 0.206 353 K C 1.765 178.457 176.600 0.154 0.000 1.047 353 K CA 1.227 57.563 56.287 0.082 0.000 0.937 353 K CB 0.096 32.621 32.500 0.041 0.000 0.718 353 K HN 0.164 nan 8.250 nan 0.000 0.438 354 E N 0.545 120.833 120.200 0.147 0.000 2.085 354 E HA -0.196 4.154 4.350 0.000 0.000 0.194 354 E C 1.968 178.773 176.600 0.341 0.000 0.994 354 E CA 1.244 57.822 56.400 0.296 0.000 0.801 354 E CB -0.246 29.570 29.700 0.193 0.000 0.743 354 E HN 0.423 nan 8.360 nan 0.000 0.453 355 A N 0.951 123.870 122.820 0.165 0.000 1.902 355 A HA -0.159 4.162 4.320 0.000 0.000 0.217 355 A C 2.468 180.220 177.584 0.280 0.000 1.181 355 A CA 2.148 54.272 52.037 0.146 0.000 0.623 355 A CB -0.857 18.102 19.000 -0.068 0.000 0.818 355 A HN 0.246 nan 8.150 nan 0.000 0.443 356 T N -1.633 113.053 114.554 0.220 0.000 2.777 356 T HA -0.165 4.185 4.350 0.000 0.000 0.266 356 T C 1.486 176.324 174.700 0.230 0.000 1.040 356 T CA 1.363 63.586 62.100 0.205 0.000 1.141 356 T CB -0.357 68.606 68.868 0.158 0.000 0.868 356 T HN 0.769 nan 8.240 nan 0.000 0.444 357 W N 2.427 123.766 121.300 0.066 0.000 2.335 357 W HA -0.201 4.460 4.660 0.000 0.000 0.311 357 W C 2.091 178.636 176.519 0.043 0.000 1.213 357 W CA 1.692 59.058 57.345 0.035 0.000 1.274 357 W CB -1.092 28.373 29.460 0.008 0.000 1.148 357 W HN 0.104 nan 8.180 nan 0.000 0.498 358 T N 1.623 116.086 114.554 -0.153 0.000 2.720 358 T HA -0.255 4.096 4.350 0.000 0.000 0.268 358 T C 1.881 176.437 174.700 -0.239 0.000 1.037 358 T CA 2.162 64.036 62.100 -0.377 0.000 1.144 358 T CB -0.470 68.376 68.868 -0.038 0.000 0.864 358 T HN 0.058 nan 8.240 nan 0.000 0.444 359 M N 1.926 121.489 119.600 -0.062 0.000 2.149 359 M HA -0.073 4.408 4.480 0.000 0.000 0.261 359 M C 2.718 178.981 176.300 -0.061 0.000 1.064 359 M CA 1.544 56.786 55.300 -0.097 0.000 1.102 359 M CB -1.560 31.054 32.600 0.022 0.000 1.369 359 M HN 0.444 nan 8.290 nan 0.000 0.408 360 S N 0.129 115.817 115.700 -0.020 0.000 2.423 360 S HA -0.072 4.398 4.470 0.000 0.000 0.231 360 S C 1.480 176.054 174.600 -0.044 0.000 1.014 360 S CA 0.974 59.196 58.200 0.037 0.000 0.965 360 S CB -0.434 62.845 63.200 0.133 0.000 0.785 360 S HN 0.452 nan 8.310 nan 0.000 0.495 361 N N 0.873 119.462 118.700 -0.186 0.000 2.398 361 N HA 0.303 5.043 4.740 0.000 0.000 0.188 361 N C 1.223 176.632 175.510 -0.168 0.000 1.122 361 N CA 0.465 53.390 53.050 -0.208 0.000 0.866 361 N CB 0.024 38.290 38.487 -0.367 0.000 0.970 361 N HN 0.537 nan 8.380 nan 0.000 0.462 362 I N 0.022 120.499 120.570 -0.154 0.000 3.039 362 I HA -0.087 4.083 4.170 0.000 0.000 0.270 362 I C 1.937 178.006 176.117 -0.080 0.000 1.150 362 I CA 0.723 61.935 61.300 -0.146 0.000 1.448 362 I CB -0.144 37.728 38.000 -0.214 0.000 1.197 362 I HN 0.042 nan 8.210 nan 0.000 0.450 363 T N -0.446 114.093 114.554 -0.026 0.000 3.007 363 T HA 0.026 4.376 4.350 0.000 0.000 0.270 363 T C 1.463 176.175 174.700 0.020 0.000 1.107 363 T CA 0.821 62.946 62.100 0.043 0.000 1.118 363 T CB -0.234 68.735 68.868 0.169 0.000 0.889 363 T HN 0.269 nan 8.240 nan 0.000 0.506 364 A N 0.675 123.497 122.820 0.005 0.000 2.411 364 A HA 0.701 5.022 4.320 0.000 0.000 0.251 364 A C 1.168 178.739 177.584 -0.022 0.000 1.317 364 A CA -0.083 51.962 52.037 0.012 0.000 0.904 364 A CB -0.667 18.348 19.000 0.025 0.000 0.993 364 A HN 0.627 nan 8.150 nan 0.000 0.504 365 G N -0.799 107.974 108.800 -0.045 0.000 3.135 365 G HA2 0.454 4.414 3.960 0.000 0.000 0.159 365 G HA3 0.454 4.414 3.960 0.000 0.000 0.159 365 G C -0.177 174.688 174.900 -0.059 0.000 1.244 365 G CA -0.965 44.103 45.100 -0.053 0.000 0.965 365 G HN 0.339 nan 8.290 nan 0.000 0.599 366 R N 0.325 120.789 120.500 -0.060 0.000 2.734 366 R HA 0.071 4.412 4.340 0.000 0.000 0.266 366 R C 1.623 177.877 176.300 -0.077 0.000 1.044 366 R CA 0.030 56.094 56.100 -0.060 0.000 1.128 366 R CB 0.674 30.943 30.300 -0.051 0.000 1.010 366 R HN 0.586 nan 8.270 nan 0.000 0.461 367 Q N 1.470 121.222 119.800 -0.080 0.000 2.084 367 Q HA -0.198 4.143 4.340 0.000 0.000 0.202 367 Q C 1.492 177.438 176.000 -0.090 0.000 0.978 367 Q CA 1.851 57.592 55.803 -0.104 0.000 0.844 367 Q CB -0.067 28.616 28.738 -0.092 0.000 0.898 367 Q HN 0.711 nan 8.270 nan 0.000 0.426 368 D N 0.486 120.846 120.400 -0.066 0.000 2.265 368 D HA -0.228 4.412 4.640 0.000 0.000 0.208 368 D C 1.512 177.781 176.300 -0.051 0.000 0.977 368 D CA 1.125 55.094 54.000 -0.052 0.000 0.871 368 D CB -0.095 40.681 40.800 -0.041 0.000 0.925 368 D HN 0.395 nan 8.370 nan 0.000 0.485 369 Q N 0.153 119.916 119.800 -0.062 0.000 2.089 369 Q HA 0.057 4.397 4.340 0.000 0.000 0.195 369 Q C 2.771 178.730 176.000 -0.067 0.000 0.963 369 Q CA 0.440 56.204 55.803 -0.065 0.000 0.834 369 Q CB 0.173 28.866 28.738 -0.075 0.000 0.906 369 Q HN 0.335 nan 8.270 nan 0.000 0.452 370 I N 1.090 121.603 120.570 -0.095 0.000 2.151 370 I HA -0.342 3.828 4.170 0.000 0.000 0.243 370 I C 2.588 178.672 176.117 -0.056 0.000 1.080 370 I CA 1.356 62.585 61.300 -0.119 0.000 1.339 370 I CB -0.254 37.569 38.000 -0.295 0.000 1.039 370 I HN 0.252 nan 8.210 nan 0.000 0.409 371 Q N 0.697 120.457 119.800 -0.067 0.000 2.152 371 Q HA -0.261 4.079 4.340 0.000 0.000 0.206 371 Q C 2.159 178.169 176.000 0.016 0.000 0.985 371 Q CA 1.757 57.541 55.803 -0.032 0.000 0.863 371 Q CB -0.184 28.525 28.738 -0.048 0.000 0.904 371 Q HN 0.415 nan 8.270 nan 0.000 0.422 372 Q N -0.775 119.039 119.800 0.023 0.000 2.096 372 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 372 Q C 2.158 178.254 176.000 0.160 0.000 0.982 372 Q CA 1.642 57.499 55.803 0.090 0.000 0.850 372 Q CB -0.313 28.443 28.738 0.030 0.000 0.901 372 Q HN 0.366 nan 8.270 nan 0.000 0.422 373 V N 0.388 120.345 119.914 0.073 0.000 2.255 373 V HA -0.239 3.881 4.120 0.000 0.000 0.247 373 V C 2.556 178.766 176.094 0.193 0.000 1.051 373 V CA 1.612 63.969 62.300 0.094 0.000 1.018 373 V CB -0.856 31.026 31.823 0.100 0.000 0.641 373 V HN 0.098 nan 8.190 nan 0.000 0.445 374 V N 0.893 120.923 119.914 0.193 0.000 2.282 374 V HA -0.353 3.768 4.120 0.000 0.000 0.249 374 V C 2.108 178.254 176.094 0.087 0.000 1.057 374 V CA 2.689 65.098 62.300 0.183 0.000 1.032 374 V CB -1.170 30.692 31.823 0.064 0.000 0.645 374 V HN 0.661 nan 8.190 nan 0.000 0.447 375 N N -0.705 118.025 118.700 0.050 0.000 2.223 375 N HA -0.185 4.556 4.740 0.000 0.000 0.185 375 N C 1.560 177.052 175.510 -0.031 0.000 1.016 375 N CA 1.189 54.226 53.050 -0.022 0.000 0.863 375 N CB -0.221 38.228 38.487 -0.062 0.000 0.983 375 N HN 0.595 nan 8.380 nan 0.000 0.429 376 H N -0.446 118.653 119.070 0.048 0.000 2.553 376 H HA 0.170 4.726 4.556 0.001 0.000 0.269 376 H C 1.173 176.583 175.328 0.138 0.000 1.011 376 H CA 0.489 56.580 56.048 0.071 0.000 1.150 376 H CB -0.143 29.646 29.762 0.045 0.000 1.339 376 H HN 0.276 nan 8.280 nan 0.000 0.604 377 G N 0.634 109.576 108.800 0.236 0.000 2.225 377 G HA2 -0.307 3.653 3.960 0.000 0.000 0.267 377 G HA3 -0.307 3.653 3.960 0.000 0.000 0.267 377 G C 0.954 176.085 174.900 0.385 0.000 1.024 377 G CA 0.576 45.841 45.100 0.276 0.000 0.784 377 G HN 0.474 nan 8.290 nan 0.000 0.507 378 L N -0.684 120.754 121.223 0.357 0.000 2.313 378 L HA -0.002 4.338 4.340 0.000 0.000 0.214 378 L C 2.844 179.899 176.870 0.309 0.000 1.119 378 L CA 0.679 55.747 54.840 0.381 0.000 0.809 378 L CB -0.350 41.832 42.059 0.206 0.000 0.933 378 L HN 0.279 nan 8.230 nan 0.000 0.449 379 V N 0.889 120.945 119.914 0.237 0.000 2.255 379 V HA -0.201 3.919 4.120 0.000 0.000 0.247 379 V C -0.056 176.042 176.094 0.007 0.000 1.051 379 V CA 2.160 64.509 62.300 0.082 0.000 1.018 379 V CB -1.492 30.358 31.823 0.044 0.000 0.641 379 V HN 0.324 nan 8.190 nan 0.000 0.445 380 P HA -0.174 nan 4.420 nan 0.000 0.216 380 P C 1.565 178.762 177.300 -0.171 0.000 1.154 380 P CA 1.694 64.707 63.100 -0.144 0.000 0.865 380 P CB -0.139 31.438 31.700 -0.206 0.000 0.789 381 F N -1.493 118.470 119.950 0.022 0.000 2.186 381 F HA -0.083 4.444 4.527 0.001 0.000 0.299 381 F C 2.251 178.060 175.800 0.016 0.000 1.090 381 F CA 1.077 59.095 58.000 0.031 0.000 1.307 381 F CB -1.175 37.865 39.000 0.066 0.000 1.019 381 F HN -0.186 nan 8.300 nan 0.000 0.489 382 L N -0.941 120.389 121.223 0.178 0.000 2.083 382 L HA -0.204 4.136 4.340 0.000 0.000 0.209 382 L C 2.361 179.235 176.870 0.008 0.000 1.083 382 L CA 0.625 55.513 54.840 0.080 0.000 0.752 382 L CB -0.757 41.317 42.059 0.024 0.000 0.899 382 L HN -0.035 nan 8.230 nan 0.000 0.433 383 V N 0.211 120.101 119.914 -0.041 0.000 2.255 383 V HA -0.253 3.867 4.120 0.000 0.000 0.247 383 V C 2.648 178.717 176.094 -0.042 0.000 1.051 383 V CA 2.147 64.402 62.300 -0.075 0.000 1.018 383 V CB -1.356 30.397 31.823 -0.116 0.000 0.641 383 V HN 0.575 nan 8.190 nan 0.000 0.445 384 G N -0.349 108.430 108.800 -0.035 0.000 2.529 384 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 384 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 384 G C 1.731 176.647 174.900 0.026 0.000 1.177 384 G CA 1.372 46.465 45.100 -0.011 0.000 0.773 384 G HN 0.349 nan 8.290 nan 0.000 0.573 385 V N 0.465 120.416 119.914 0.062 0.000 2.332 385 V HA -0.163 3.957 4.120 0.000 0.000 0.248 385 V C 2.785 178.893 176.094 0.024 0.000 1.055 385 V CA 1.843 64.178 62.300 0.059 0.000 1.038 385 V CB -0.400 31.473 31.823 0.083 0.000 0.651 385 V HN 0.340 nan 8.190 nan 0.000 0.450 386 L N -0.186 121.041 121.223 0.005 0.000 2.083 386 L HA -0.124 4.216 4.340 0.000 0.000 0.209 386 L C 2.504 179.367 176.870 -0.012 0.000 1.083 386 L CA 2.138 56.968 54.840 -0.017 0.000 0.752 386 L CB -0.544 41.492 42.059 -0.038 0.000 0.899 386 L HN 0.322 nan 8.230 nan 0.000 0.433 387 S N -1.195 114.500 115.700 -0.009 0.000 2.357 387 S HA -0.087 4.383 4.470 0.000 0.000 0.221 387 S C 0.896 175.504 174.600 0.012 0.000 1.031 387 S CA 0.991 59.188 58.200 -0.005 0.000 0.982 387 S CB -0.069 63.122 63.200 -0.015 0.000 0.853 387 S HN 0.367 nan 8.310 nan 0.000 0.458 388 K N 0.069 120.480 120.400 0.019 0.000 2.588 388 K HA 0.598 4.919 4.320 0.000 0.000 0.250 388 K C -1.515 175.108 176.600 0.038 0.000 0.972 388 K CA -0.199 56.106 56.287 0.031 0.000 0.821 388 K CB 1.475 33.990 32.500 0.026 0.000 1.249 388 K HN 0.227 nan 8.250 nan 0.000 0.442 389 A N 2.853 125.701 122.820 0.047 0.000 2.452 389 A HA 0.247 4.567 4.320 0.000 0.000 0.294 389 A C -1.827 175.796 177.584 0.065 0.000 1.010 389 A CA -0.821 51.245 52.037 0.050 0.000 0.613 389 A CB 0.514 19.539 19.000 0.042 0.000 1.363 389 A HN 0.832 nan 8.150 nan 0.000 0.463 390 D N -0.525 119.915 120.400 0.066 0.000 2.472 390 D HA 0.223 4.863 4.640 0.000 0.000 0.237 390 D C 0.918 177.286 176.300 0.113 0.000 1.141 390 D CA 0.422 54.479 54.000 0.095 0.000 0.875 390 D CB 0.158 41.005 40.800 0.079 0.000 1.192 390 D HN 0.555 nan 8.370 nan 0.000 0.450 391 F N 3.216 123.189 119.950 0.037 0.000 2.120 391 F HA -0.181 4.347 4.527 0.000 0.000 0.300 391 F C 1.937 177.770 175.800 0.056 0.000 1.095 391 F CA 1.599 59.624 58.000 0.042 0.000 1.249 391 F CB 0.011 39.033 39.000 0.037 0.000 0.995 391 F HN 0.415 nan 8.300 nan 0.000 0.480 392 K N -0.652 119.786 120.400 0.064 0.000 2.063 392 K HA -0.165 4.155 4.320 0.000 0.000 0.208 392 K C 1.986 178.545 176.600 -0.068 0.000 1.048 392 K CA 1.995 58.275 56.287 -0.012 0.000 0.928 392 K CB -0.647 31.895 32.500 0.070 0.000 0.713 392 K HN 0.276 nan 8.250 nan 0.000 0.442 393 T N 1.550 116.089 114.554 -0.025 0.000 2.788 393 T HA -0.142 4.208 4.350 0.000 0.000 0.268 393 T C 1.824 176.502 174.700 -0.037 0.000 1.044 393 T CA 1.169 63.270 62.100 0.002 0.000 1.139 393 T CB -0.074 68.812 68.868 0.030 0.000 0.867 393 T HN 0.310 nan 8.240 nan 0.000 0.454 394 Q N 0.514 120.238 119.800 -0.127 0.000 2.119 394 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 394 Q C 2.369 178.234 176.000 -0.225 0.000 0.972 394 Q CA 1.041 56.741 55.803 -0.171 0.000 0.847 394 Q CB -0.119 28.486 28.738 -0.221 0.000 0.903 394 Q HN 0.411 nan 8.270 nan 0.000 0.433 395 K N 0.497 120.680 120.400 -0.361 0.000 2.097 395 K HA -0.156 4.164 4.320 0.000 0.000 0.206 395 K C 1.852 178.526 176.600 0.123 0.000 1.049 395 K CA 0.954 57.117 56.287 -0.207 0.000 0.933 395 K CB 0.251 32.617 32.500 -0.223 0.000 0.717 395 K HN 0.075 nan 8.250 nan 0.000 0.442 396 E N 0.039 120.308 120.200 0.115 0.000 2.204 396 E HA -0.133 4.217 4.350 0.000 0.000 0.194 396 E C 1.779 178.505 176.600 0.209 0.000 0.989 396 E CA 0.946 57.481 56.400 0.225 0.000 0.824 396 E CB -0.049 29.765 29.700 0.191 0.000 0.756 396 E HN 0.353 nan 8.360 nan 0.000 0.477 397 A N 1.488 124.370 122.820 0.103 0.000 1.872 397 A HA -0.006 4.314 4.320 0.000 0.000 0.214 397 A C 2.451 180.063 177.584 0.046 0.000 1.187 397 A CA 1.777 53.854 52.037 0.067 0.000 0.614 397 A CB -0.667 18.343 19.000 0.017 0.000 0.826 397 A HN 0.253 nan 8.150 nan 0.000 0.442 398 A N -0.948 121.869 122.820 -0.006 0.000 1.884 398 A HA -0.252 4.068 4.320 0.000 0.000 0.219 398 A C 1.998 179.531 177.584 -0.085 0.000 1.197 398 A CA 1.755 53.736 52.037 -0.094 0.000 0.637 398 A CB -1.114 17.777 19.000 -0.182 0.000 0.827 398 A HN 0.750 nan 8.150 nan 0.000 0.450 399 W N -0.628 120.674 121.300 0.002 0.000 2.354 399 W HA -0.042 4.618 4.660 0.001 0.000 0.315 399 W C 2.896 179.435 176.519 0.033 0.000 1.206 399 W CA 1.711 59.073 57.345 0.028 0.000 1.290 399 W CB -0.583 28.909 29.460 0.052 0.000 1.152 399 W HN 0.413 nan 8.180 nan 0.000 0.489 400 A N 0.427 123.408 122.820 0.269 0.000 1.903 400 A HA -0.274 4.046 4.320 0.000 0.000 0.219 400 A C 1.880 179.545 177.584 0.134 0.000 1.191 400 A CA 2.362 54.502 52.037 0.170 0.000 0.638 400 A CB -0.996 18.076 19.000 0.120 0.000 0.823 400 A HN 0.203 nan 8.150 nan 0.000 0.451 401 I N -0.856 119.748 120.570 0.056 0.000 2.142 401 I HA -0.178 3.992 4.170 0.000 0.000 0.240 401 I C 2.672 178.815 176.117 0.042 0.000 1.078 401 I CA 2.177 63.469 61.300 -0.013 0.000 1.343 401 I CB -1.955 35.994 38.000 -0.086 0.000 1.046 401 I HN 0.367 nan 8.210 nan 0.000 0.405 402 T N 1.527 116.082 114.554 0.001 0.000 2.720 402 T HA -0.179 4.172 4.350 0.000 0.000 0.268 402 T C 1.737 176.485 174.700 0.080 0.000 1.037 402 T CA 1.793 63.884 62.100 -0.014 0.000 1.144 402 T CB -0.173 68.601 68.868 -0.158 0.000 0.864 402 T HN 0.269 nan 8.240 nan 0.000 0.444 403 N N -0.095 118.695 118.700 0.150 0.000 2.166 403 N HA -0.080 4.660 4.740 0.000 0.000 0.186 403 N C 1.538 177.139 175.510 0.151 0.000 1.019 403 N CA 1.147 54.295 53.050 0.163 0.000 0.856 403 N CB -0.605 37.993 38.487 0.184 0.000 0.993 403 N HN 0.542 nan 8.380 nan 0.000 0.426 404 Y N 2.223 122.540 120.300 0.029 0.000 2.070 404 Y HA -0.234 4.317 4.550 0.000 0.000 0.280 404 Y C 2.631 178.535 175.900 0.006 0.000 1.148 404 Y CA 2.373 60.482 58.100 0.015 0.000 1.125 404 Y CB -0.924 37.545 38.460 0.014 0.000 0.975 404 Y HN 0.174 nan 8.280 nan 0.000 0.492 405 T N -3.003 111.751 114.554 0.334 0.000 3.007 405 T HA -0.152 4.199 4.350 0.000 0.000 0.270 405 T C 2.102 176.851 174.700 0.080 0.000 1.107 405 T CA 1.248 63.462 62.100 0.190 0.000 1.118 405 T CB -0.739 68.190 68.868 0.103 0.000 0.889 405 T HN 0.338 nan 8.240 nan 0.000 0.506 406 S N 0.578 116.320 115.700 0.071 0.000 2.436 406 S HA 0.253 4.723 4.470 0.000 0.000 0.228 406 S C 1.897 176.508 174.600 0.019 0.000 1.014 406 S CA 0.831 59.058 58.200 0.044 0.000 0.950 406 S CB -0.556 62.680 63.200 0.060 0.000 0.784 406 S HN 0.753 nan 8.310 nan 0.000 0.504 407 G N -0.346 108.449 108.800 -0.007 0.000 3.443 407 G HA2 0.478 4.438 3.960 0.000 0.000 0.252 407 G HA3 0.478 4.438 3.960 0.000 0.000 0.252 407 G C 0.389 175.232 174.900 -0.094 0.000 1.015 407 G CA 0.219 45.296 45.100 -0.039 0.000 0.891 407 G HN 0.584 nan 8.290 nan 0.000 0.510 408 G N 0.596 109.310 108.800 -0.143 0.000 2.537 408 G HA2 0.450 4.411 3.960 0.000 0.000 0.273 408 G HA3 0.450 4.411 3.960 0.000 0.000 0.273 408 G C 0.619 175.445 174.900 -0.122 0.000 1.189 408 G CA 0.470 45.429 45.100 -0.235 0.000 0.881 408 G HN 0.396 nan 8.290 nan 0.000 0.535 409 T N -2.160 112.324 114.554 -0.116 0.000 2.732 409 T HA 0.174 4.524 4.350 0.000 0.000 0.287 409 T C 1.540 176.224 174.700 -0.027 0.000 0.993 409 T CA -0.130 61.935 62.100 -0.058 0.000 0.966 409 T CB 1.036 69.873 68.868 -0.051 0.000 1.047 409 T HN 0.144 nan 8.240 nan 0.000 0.527 410 V N 0.859 120.765 119.914 -0.013 0.000 2.244 410 V HA -0.087 4.033 4.120 0.000 0.000 0.244 410 V C 2.885 178.983 176.094 0.007 0.000 1.042 410 V CA 2.311 64.609 62.300 -0.003 0.000 1.006 410 V CB -1.139 30.682 31.823 -0.004 0.000 0.641 410 V HN 1.090 nan 8.190 nan 0.000 0.446 411 E N -0.186 120.018 120.200 0.007 0.000 2.147 411 E HA -0.340 4.011 4.350 0.000 0.000 0.199 411 E C 2.183 178.823 176.600 0.067 0.000 1.005 411 E CA 2.119 58.533 56.400 0.023 0.000 0.810 411 E CB -0.119 29.588 29.700 0.011 0.000 0.736 411 E HN 0.699 nan 8.360 nan 0.000 0.460 412 Q N -0.113 119.728 119.800 0.067 0.000 2.083 412 Q HA -0.077 4.263 4.340 0.000 0.000 0.198 412 Q C 2.399 178.585 176.000 0.310 0.000 0.969 412 Q CA 1.442 57.344 55.803 0.165 0.000 0.838 412 Q CB -0.029 28.699 28.738 -0.016 0.000 0.900 412 Q HN 0.430 nan 8.270 nan 0.000 0.436 413 I N 0.158 120.843 120.570 0.192 0.000 2.454 413 I HA -0.239 3.931 4.170 0.000 0.000 0.254 413 I C 2.110 178.255 176.117 0.047 0.000 1.156 413 I CA 0.620 62.036 61.300 0.194 0.000 1.433 413 I CB -0.202 37.846 38.000 0.080 0.000 1.082 413 I HN 0.057 nan 8.210 nan 0.000 0.432 414 V N 0.493 120.406 119.914 -0.002 0.000 2.244 414 V HA -0.326 3.794 4.120 0.000 0.000 0.244 414 V C 2.341 178.313 176.094 -0.204 0.000 1.042 414 V CA 2.056 64.256 62.300 -0.167 0.000 1.006 414 V CB -0.768 30.959 31.823 -0.160 0.000 0.641 414 V HN 0.414 nan 8.190 nan 0.000 0.446 415 Y N 0.683 120.926 120.300 -0.095 0.000 2.139 415 Y HA -0.310 4.240 4.550 0.000 0.000 0.282 415 Y C 2.195 178.096 175.900 0.002 0.000 1.179 415 Y CA 2.012 60.127 58.100 0.024 0.000 1.161 415 Y CB -0.559 37.959 38.460 0.096 0.000 0.970 415 Y HN 0.221 nan 8.280 nan 0.000 0.511 416 L N -0.332 120.786 121.223 -0.175 0.000 2.012 416 L HA -0.185 4.156 4.340 0.000 0.000 0.210 416 L C 2.353 179.038 176.870 -0.307 0.000 1.073 416 L CA 1.998 56.618 54.840 -0.366 0.000 0.748 416 L CB -1.161 40.701 42.059 -0.328 0.000 0.891 416 L HN 0.168 nan 8.230 nan 0.000 0.431 417 V N -0.779 118.996 119.914 -0.232 0.000 2.427 417 V HA -0.319 3.801 4.120 0.000 0.000 0.248 417 V C 2.346 178.375 176.094 -0.108 0.000 1.051 417 V CA 2.057 64.241 62.300 -0.193 0.000 1.048 417 V CB -0.997 30.698 31.823 -0.214 0.000 0.666 417 V HN 0.615 nan 8.190 nan 0.000 0.456 418 H N -1.866 117.113 119.070 -0.152 0.000 2.489 418 H HA -0.149 4.408 4.556 0.000 0.000 0.293 418 H C 2.198 177.413 175.328 -0.188 0.000 1.066 418 H CA 1.241 57.215 56.048 -0.125 0.000 1.305 418 H CB 0.012 29.747 29.762 -0.045 0.000 1.386 418 H HN 0.406 nan 8.280 nan 0.000 0.551 419 C N -0.218 118.962 119.300 -0.201 0.000 2.539 419 C HA 0.163 4.624 4.460 0.000 0.000 0.268 419 C C 1.798 176.688 174.990 -0.168 0.000 1.395 419 C CA 0.888 59.753 59.018 -0.255 0.000 1.757 419 C CB -0.544 26.932 27.740 -0.439 0.000 1.851 419 C HN 0.877 nan 8.230 nan 0.000 0.545 420 G N 0.316 109.034 108.800 -0.136 0.000 2.145 420 G HA2 -0.212 3.748 3.960 0.000 0.000 0.176 420 G HA3 -0.212 3.748 3.960 0.000 0.000 0.176 420 G C 0.479 175.308 174.900 -0.118 0.000 1.013 420 G CA 0.231 45.268 45.100 -0.106 0.000 0.689 420 G HN 0.338 nan 8.290 nan 0.000 0.506 421 I N 0.778 121.257 120.570 -0.152 0.000 2.394 421 I HA -0.027 4.143 4.170 0.000 0.000 0.251 421 I C 2.486 178.531 176.117 -0.120 0.000 1.136 421 I CA 1.157 62.366 61.300 -0.152 0.000 1.425 421 I CB -0.113 37.766 38.000 -0.200 0.000 1.079 421 I HN 0.355 nan 8.210 nan 0.000 0.425 422 I N 0.356 120.857 120.570 -0.115 0.000 2.163 422 I HA -0.319 3.851 4.170 0.000 0.000 0.243 422 I C 2.430 178.508 176.117 -0.066 0.000 1.085 422 I CA 1.656 62.898 61.300 -0.097 0.000 1.347 422 I CB -1.557 36.385 38.000 -0.098 0.000 1.044 422 I HN 0.423 nan 8.210 nan 0.000 0.408 423 E N 1.404 121.571 120.200 -0.055 0.000 2.007 423 E HA -0.177 4.173 4.350 0.000 0.000 0.194 423 E C -0.495 176.084 176.600 -0.034 0.000 0.999 423 E CA 1.667 58.044 56.400 -0.038 0.000 0.811 423 E CB -0.786 28.894 29.700 -0.033 0.000 0.762 423 E HN 0.249 nan 8.360 nan 0.000 0.450 424 P HA -0.197 nan 4.420 nan 0.000 0.216 424 P C 1.730 179.012 177.300 -0.031 0.000 1.150 424 P CA 1.044 64.125 63.100 -0.031 0.000 0.843 424 P CB -0.080 31.596 31.700 -0.039 0.000 0.787 425 L N -1.459 119.736 121.223 -0.048 0.000 2.093 425 L HA -0.092 4.249 4.340 0.000 0.000 0.208 425 L C 2.587 179.437 176.870 -0.033 0.000 1.085 425 L CA 1.840 56.649 54.840 -0.051 0.000 0.755 425 L CB -1.076 40.939 42.059 -0.074 0.000 0.904 425 L HN -0.164 nan 8.230 nan 0.000 0.435 426 M N -0.711 118.873 119.600 -0.027 0.000 2.123 426 M HA -0.132 4.348 4.480 0.000 0.000 0.263 426 M C 1.981 178.278 176.300 -0.004 0.000 1.069 426 M CA 1.234 56.526 55.300 -0.013 0.000 1.133 426 M CB -1.475 31.119 32.600 -0.010 0.000 1.356 426 M HN 0.317 nan 8.290 nan 0.000 0.415 427 N N 0.870 119.569 118.700 -0.002 0.000 2.192 427 N HA -0.145 4.595 4.740 0.000 0.000 0.188 427 N C 1.795 177.321 175.510 0.026 0.000 1.013 427 N CA 1.122 54.178 53.050 0.010 0.000 0.863 427 N CB -0.487 38.007 38.487 0.011 0.000 0.990 427 N HN 0.400 nan 8.380 nan 0.000 0.430 428 L N 0.644 121.883 121.223 0.026 0.000 2.465 428 L HA 0.004 4.344 4.340 0.000 0.000 0.224 428 L C 1.899 178.803 176.870 0.056 0.000 1.145 428 L CA 0.213 55.088 54.840 0.058 0.000 0.834 428 L CB -0.172 41.906 42.059 0.032 0.000 0.944 428 L HN 0.127 nan 8.230 nan 0.000 0.451 429 L N -1.204 120.032 121.223 0.022 0.000 2.362 429 L HA -0.120 4.221 4.340 0.000 0.000 0.219 429 L C 2.194 179.071 176.870 0.011 0.000 1.134 429 L CA 0.520 55.364 54.840 0.006 0.000 0.807 429 L CB -0.215 41.839 42.059 -0.009 0.000 0.927 429 L HN 0.183 nan 8.230 nan 0.000 0.447 430 S N -0.130 115.585 115.700 0.025 0.000 2.562 430 S HA 0.160 4.630 4.470 0.000 0.000 0.221 430 S C 1.071 175.685 174.600 0.024 0.000 0.975 430 S CA 0.106 58.319 58.200 0.021 0.000 0.918 430 S CB -0.149 63.062 63.200 0.019 0.000 0.772 430 S HN 0.369 nan 8.310 nan 0.000 0.531 431 A N 2.327 125.178 122.820 0.052 0.000 2.498 431 A HA 0.230 4.550 4.320 0.000 0.000 0.239 431 A C 0.444 178.018 177.584 -0.017 0.000 1.068 431 A CA -0.132 51.926 52.037 0.036 0.000 0.766 431 A CB 0.230 19.374 19.000 0.241 0.000 1.003 431 A HN 0.081 nan 8.150 nan 0.000 0.497 432 K N 2.824 123.157 120.400 -0.112 0.000 2.278 432 K HA 0.190 4.510 4.320 0.000 0.000 0.237 432 K C -0.811 175.747 176.600 -0.070 0.000 1.229 432 K CA 0.268 56.511 56.287 -0.073 0.000 1.155 432 K CB -0.309 32.133 32.500 -0.098 0.000 1.590 432 K HN 0.657 nan 8.250 nan 0.000 0.290 433 D N 0.647 121.060 120.400 0.022 0.000 2.369 433 D HA -0.049 4.591 4.640 0.000 0.000 0.212 433 D C 0.994 177.354 176.300 0.100 0.000 1.326 433 D CA -0.068 53.984 54.000 0.087 0.000 0.933 433 D CB 1.036 41.953 40.800 0.194 0.000 1.516 433 D HN 0.274 nan 8.370 nan 0.000 0.557 434 T N 1.484 116.101 114.554 0.105 0.000 2.759 434 T HA -0.235 4.115 4.350 0.000 0.000 0.269 434 T C 1.720 176.453 174.700 0.055 0.000 1.042 434 T CA 1.316 63.466 62.100 0.082 0.000 1.140 434 T CB 0.134 69.105 68.868 0.171 0.000 0.864 434 T HN 0.196 nan 8.240 nan 0.000 0.455 435 K N 1.347 121.805 120.400 0.097 0.000 2.032 435 K HA 0.087 4.407 4.320 0.000 0.000 0.209 435 K C 2.183 178.814 176.600 0.051 0.000 1.048 435 K CA 1.542 57.890 56.287 0.103 0.000 0.927 435 K CB -1.003 31.600 32.500 0.171 0.000 0.712 435 K HN 0.575 nan 8.250 nan 0.000 0.441 436 I N 0.048 120.667 120.570 0.083 0.000 2.315 436 I HA -0.206 3.964 4.170 0.000 0.000 0.248 436 I C 1.748 177.828 176.117 -0.062 0.000 1.117 436 I CA 1.242 62.542 61.300 0.001 0.000 1.404 436 I CB -0.017 38.044 38.000 0.102 0.000 1.071 436 I HN 0.179 nan 8.210 nan 0.000 0.419 437 I N 0.772 121.327 120.570 -0.025 0.000 2.399 437 I HA -0.350 3.820 4.170 0.000 0.000 0.254 437 I C 2.443 178.502 176.117 -0.098 0.000 1.146 437 I CA 1.434 62.691 61.300 -0.071 0.000 1.412 437 I CB -0.377 37.549 38.000 -0.123 0.000 1.076 437 I HN 0.418 nan 8.210 nan 0.000 0.432 438 Q N -0.061 119.680 119.800 -0.099 0.000 2.033 438 Q HA -0.112 4.228 4.340 0.000 0.000 0.196 438 Q C 2.436 178.334 176.000 -0.170 0.000 0.970 438 Q CA 1.271 57.010 55.803 -0.107 0.000 0.828 438 Q CB -0.200 28.494 28.738 -0.074 0.000 0.895 438 Q HN 0.322 nan 8.270 nan 0.000 0.440 439 V N 1.397 121.141 119.914 -0.282 0.000 2.380 439 V HA -0.283 3.837 4.120 0.000 0.000 0.251 439 V C 2.097 178.008 176.094 -0.305 0.000 1.063 439 V CA 1.661 63.676 62.300 -0.474 0.000 1.055 439 V CB -0.545 30.754 31.823 -0.874 0.000 0.657 439 V HN 0.350 nan 8.190 nan 0.000 0.455 440 I N -0.801 119.645 120.570 -0.207 0.000 2.277 440 I HA -0.175 3.996 4.170 0.000 0.000 0.243 440 I C 2.300 178.367 176.117 -0.082 0.000 1.094 440 I CA 1.327 62.547 61.300 -0.133 0.000 1.393 440 I CB -0.307 37.637 38.000 -0.093 0.000 1.078 440 I HN 0.237 nan 8.210 nan 0.000 0.417 441 L N 0.242 121.427 121.223 -0.063 0.000 2.042 441 L HA -0.259 4.081 4.340 0.000 0.000 0.210 441 L C 2.376 179.240 176.870 -0.010 0.000 1.076 441 L CA 1.327 56.159 54.840 -0.014 0.000 0.749 441 L CB -0.775 41.275 42.059 -0.014 0.000 0.893 441 L HN 0.349 nan 8.230 nan 0.000 0.432 442 D N 0.336 120.704 120.400 -0.054 0.000 2.092 442 D HA -0.213 4.427 4.640 0.000 0.000 0.193 442 D C 2.147 178.426 176.300 -0.035 0.000 0.994 442 D CA 1.704 55.675 54.000 -0.049 0.000 0.828 442 D CB 0.260 40.999 40.800 -0.102 0.000 0.963 442 D HN 0.304 nan 8.370 nan 0.000 0.450 443 A N 1.221 123.999 122.820 -0.070 0.000 1.883 443 A HA -0.181 4.140 4.320 0.000 0.000 0.217 443 A C 2.316 179.876 177.584 -0.039 0.000 1.186 443 A CA 1.086 53.088 52.037 -0.058 0.000 0.624 443 A CB -0.605 18.341 19.000 -0.091 0.000 0.822 443 A HN 0.273 nan 8.150 nan 0.000 0.444 444 I N -0.067 120.488 120.570 -0.025 0.000 2.163 444 I HA -0.210 3.961 4.170 0.000 0.000 0.243 444 I C 2.794 178.950 176.117 0.064 0.000 1.085 444 I CA 1.904 63.200 61.300 -0.008 0.000 1.347 444 I CB -1.473 36.574 38.000 0.078 0.000 1.044 444 I HN 0.454 nan 8.210 nan 0.000 0.408 445 S N 1.512 117.278 115.700 0.110 0.000 2.377 445 S HA -0.266 4.204 4.470 0.000 0.000 0.224 445 S C 1.884 176.541 174.600 0.096 0.000 1.042 445 S CA 2.106 60.390 58.200 0.140 0.000 1.086 445 S CB -0.345 62.913 63.200 0.097 0.000 0.995 445 S HN 0.451 nan 8.310 nan 0.000 0.428 446 N N 1.410 120.138 118.700 0.047 0.000 2.091 446 N HA -0.129 4.611 4.740 0.000 0.000 0.193 446 N C 1.889 177.402 175.510 0.005 0.000 1.021 446 N CA 1.909 54.978 53.050 0.031 0.000 0.862 446 N CB -0.660 37.841 38.487 0.023 0.000 1.018 446 N HN 0.548 nan 8.380 nan 0.000 0.429 447 I N 0.019 120.559 120.570 -0.050 0.000 2.202 447 I HA -0.233 3.937 4.170 0.000 0.000 0.242 447 I C 1.965 177.968 176.117 -0.189 0.000 1.091 447 I CA 0.938 62.153 61.300 -0.141 0.000 1.368 447 I CB -0.396 37.456 38.000 -0.245 0.000 1.058 447 I HN -0.089 nan 8.210 nan 0.000 0.410 448 F N 1.420 121.237 119.950 -0.223 0.000 2.095 448 F HA -0.279 4.248 4.527 0.000 0.000 0.298 448 F C 2.770 178.462 175.800 -0.180 0.000 1.104 448 F CA 1.738 59.512 58.000 -0.377 0.000 1.232 448 F CB -0.776 37.689 39.000 -0.891 0.000 0.987 448 F HN 0.078 nan 8.300 nan 0.000 0.475 449 Q N -0.717 119.158 119.800 0.125 0.000 2.197 449 Q HA -0.214 4.127 4.340 0.000 0.000 0.207 449 Q C 2.348 178.387 176.000 0.064 0.000 0.984 449 Q CA 1.406 57.281 55.803 0.119 0.000 0.869 449 Q CB -0.393 28.405 28.738 0.100 0.000 0.906 449 Q HN 0.468 nan 8.270 nan 0.000 0.426 450 A N 0.396 123.229 122.820 0.021 0.000 1.930 450 A HA 0.066 4.386 4.320 0.000 0.000 0.215 450 A C 2.142 179.723 177.584 -0.005 0.000 1.176 450 A CA 1.162 53.200 52.037 0.001 0.000 0.632 450 A CB -0.370 18.619 19.000 -0.019 0.000 0.819 450 A HN 0.363 nan 8.150 nan 0.000 0.445 451 A N -0.640 122.167 122.820 -0.022 0.000 2.119 451 A HA 0.026 4.346 4.320 0.000 0.000 0.216 451 A C 1.804 179.419 177.584 0.051 0.000 1.152 451 A CA 1.356 53.383 52.037 -0.018 0.000 0.708 451 A CB -0.307 18.642 19.000 -0.085 0.000 0.805 451 A HN 0.604 nan 8.150 nan 0.000 0.460 452 E N 0.204 120.459 120.200 0.093 0.000 2.158 452 E HA -0.070 4.280 4.350 0.000 0.000 0.191 452 E C 1.453 178.096 176.600 0.072 0.000 0.982 452 E CA 0.812 57.287 56.400 0.125 0.000 0.823 452 E CB 0.010 29.815 29.700 0.175 0.000 0.766 452 E HN 0.577 nan 8.360 nan 0.000 0.468 453 K N -0.201 120.229 120.400 0.050 0.000 2.525 453 K HA 0.041 4.361 4.320 0.000 0.000 0.192 453 K C 1.003 177.617 176.600 0.024 0.000 1.029 453 K CA 0.370 56.676 56.287 0.032 0.000 1.029 453 K CB 0.421 32.935 32.500 0.024 0.000 0.814 453 K HN 0.181 nan 8.250 nan 0.000 0.503 454 L N -0.617 120.621 121.223 0.024 0.000 3.135 454 L HA 0.231 4.572 4.340 0.000 0.000 0.279 454 L C 0.670 177.554 176.870 0.024 0.000 1.200 454 L CA -0.259 54.592 54.840 0.018 0.000 1.016 454 L CB 0.924 42.987 42.059 0.007 0.000 1.391 454 L HN 0.251 nan 8.230 nan 0.000 0.588 455 G N 0.855 109.676 108.800 0.035 0.000 2.258 455 G HA2 -0.273 3.687 3.960 0.000 0.000 0.274 455 G HA3 -0.273 3.687 3.960 0.000 0.000 0.274 455 G C 0.626 175.550 174.900 0.040 0.000 1.021 455 G CA 0.508 45.631 45.100 0.039 0.000 0.798 455 G HN 0.453 nan 8.290 nan 0.000 0.507 456 E N -0.397 119.827 120.200 0.039 0.000 2.498 456 E HA 0.007 4.357 4.350 0.000 0.000 0.203 456 E C 2.408 179.037 176.600 0.048 0.000 1.013 456 E CA 0.816 57.234 56.400 0.030 0.000 0.927 456 E CB -0.154 29.547 29.700 0.003 0.000 1.012 456 E HN 0.734 nan 8.360 nan 0.000 0.482 457 T N -0.278 114.335 114.554 0.099 0.000 2.649 457 T HA -0.316 4.034 4.350 0.000 0.000 0.268 457 T C 1.850 176.650 174.700 0.167 0.000 1.036 457 T CA 1.860 64.077 62.100 0.195 0.000 1.157 457 T CB -0.185 68.844 68.868 0.269 0.000 0.861 457 T HN 0.242 nan 8.240 nan 0.000 0.445 458 E N 1.315 121.573 120.200 0.098 0.000 2.023 458 E HA -0.205 4.145 4.350 0.000 0.000 0.196 458 E C 2.391 179.036 176.600 0.075 0.000 1.003 458 E CA 1.287 57.731 56.400 0.073 0.000 0.809 458 E CB -0.136 29.596 29.700 0.053 0.000 0.755 458 E HN 0.588 nan 8.360 nan 0.000 0.449 459 K N 0.242 120.674 120.400 0.053 0.000 2.089 459 K HA -0.225 4.095 4.320 0.000 0.000 0.210 459 K C 2.297 178.913 176.600 0.027 0.000 1.048 459 K CA 1.363 57.673 56.287 0.039 0.000 0.926 459 K CB -0.386 32.129 32.500 0.025 0.000 0.714 459 K HN 0.189 nan 8.250 nan 0.000 0.448 460 L N 1.513 122.732 121.223 -0.007 0.000 2.046 460 L HA -0.151 4.189 4.340 0.000 0.000 0.208 460 L C 2.052 178.932 176.870 0.016 0.000 1.077 460 L CA 1.752 56.529 54.840 -0.106 0.000 0.747 460 L CB -0.614 41.243 42.059 -0.338 0.000 0.896 460 L HN 0.007 nan 8.230 nan 0.000 0.432 461 S N -0.202 115.593 115.700 0.159 0.000 2.359 461 S HA -0.189 4.281 4.470 0.000 0.000 0.224 461 S C 1.879 176.695 174.600 0.360 0.000 1.035 461 S CA 1.721 60.103 58.200 0.304 0.000 1.018 461 S CB -0.472 62.769 63.200 0.069 0.000 0.876 461 S HN 0.388 nan 8.310 nan 0.000 0.448 462 I N 1.928 122.617 120.570 0.199 0.000 2.091 462 I HA -0.243 3.927 4.170 0.000 0.000 0.239 462 I C 2.438 178.626 176.117 0.119 0.000 1.061 462 I CA 1.507 62.896 61.300 0.149 0.000 1.317 462 I CB -0.700 37.354 38.000 0.090 0.000 1.031 462 I HN 0.267 nan 8.210 nan 0.000 0.401 463 M N -0.351 119.295 119.600 0.076 0.000 2.226 463 M HA -0.313 4.167 4.480 0.000 0.000 0.257 463 M C 2.393 178.726 176.300 0.055 0.000 1.070 463 M CA 2.207 57.531 55.300 0.040 0.000 1.087 463 M CB -0.786 31.811 32.600 -0.005 0.000 1.278 463 M HN 0.190 nan 8.290 nan 0.000 0.426 464 I N -0.580 120.044 120.570 0.091 0.000 2.399 464 I HA -0.298 3.873 4.170 0.000 0.000 0.254 464 I C 2.377 178.548 176.117 0.091 0.000 1.146 464 I CA 1.416 62.784 61.300 0.113 0.000 1.412 464 I CB -0.540 37.613 38.000 0.255 0.000 1.076 464 I HN 0.459 nan 8.210 nan 0.000 0.432 465 E N 0.730 121.004 120.200 0.124 0.000 2.190 465 E HA -0.136 4.214 4.350 0.000 0.000 0.191 465 E C 1.994 178.613 176.600 0.033 0.000 0.978 465 E CA 0.352 56.786 56.400 0.057 0.000 0.839 465 E CB 0.254 30.025 29.700 0.118 0.000 0.787 465 E HN 0.412 nan 8.360 nan 0.000 0.473 466 E N 0.188 120.413 120.200 0.043 0.000 2.051 466 E HA -0.180 4.171 4.350 0.000 0.000 0.192 466 E C 2.210 178.817 176.600 0.011 0.000 0.991 466 E CA 1.470 57.885 56.400 0.025 0.000 0.799 466 E CB -0.289 29.426 29.700 0.024 0.000 0.748 466 E HN 0.481 nan 8.360 nan 0.000 0.449 467 C N -0.095 119.209 119.300 0.008 0.000 2.578 467 C HA 0.573 5.033 4.460 0.000 0.000 0.285 467 C C 1.528 176.515 174.990 -0.006 0.000 1.297 467 C CA -0.179 58.838 59.018 -0.001 0.000 1.690 467 C CB -1.064 26.673 27.740 -0.005 0.000 1.773 467 C HN 0.484 nan 8.230 nan 0.000 0.594 468 G N 0.476 109.271 108.800 -0.009 0.000 2.176 468 G HA2 -0.110 3.850 3.960 0.000 0.000 0.252 468 G HA3 -0.110 3.850 3.960 0.000 0.000 0.252 468 G C 0.963 175.845 174.900 -0.030 0.000 1.024 468 G CA 0.356 45.443 45.100 -0.022 0.000 0.755 468 G HN 0.948 nan 8.290 nan 0.000 0.507 469 G N -0.054 108.732 108.800 -0.024 0.000 2.394 469 G HA2 0.111 4.072 3.960 0.000 0.000 0.214 469 G HA3 0.111 4.072 3.960 0.000 0.000 0.214 469 G C 1.724 176.585 174.900 -0.066 0.000 1.176 469 G CA 1.399 46.486 45.100 -0.021 0.000 0.786 469 G HN 1.011 nan 8.290 nan 0.000 0.533 470 L N 1.127 122.262 121.223 -0.147 0.000 2.079 470 L HA -0.045 4.295 4.340 0.000 0.000 0.210 470 L C 1.898 178.641 176.870 -0.213 0.000 1.081 470 L CA 2.172 56.807 54.840 -0.341 0.000 0.752 470 L CB -0.644 41.050 42.059 -0.608 0.000 0.896 470 L HN 0.129 nan 8.230 nan 0.000 0.433 471 D N -0.837 119.485 120.400 -0.131 0.000 2.351 471 D HA -0.138 4.503 4.640 0.000 0.000 0.216 471 D C 1.895 178.162 176.300 -0.055 0.000 0.968 471 D CA 0.942 54.892 54.000 -0.082 0.000 0.899 471 D CB 0.161 40.929 40.800 -0.054 0.000 0.907 471 D HN 0.451 nan 8.370 nan 0.000 0.514 472 K N -0.940 119.429 120.400 -0.052 0.000 2.370 472 K HA 0.210 4.530 4.320 0.000 0.000 0.194 472 K C 1.784 178.371 176.600 -0.021 0.000 1.070 472 K CA 0.064 56.336 56.287 -0.026 0.000 0.998 472 K CB 0.728 33.218 32.500 -0.017 0.000 0.911 472 K HN 0.145 nan 8.250 nan 0.000 0.533 473 I N 1.376 121.924 120.570 -0.037 0.000 2.500 473 I HA -0.143 4.028 4.170 0.000 0.000 0.252 473 I C 1.771 177.886 176.117 -0.003 0.000 1.142 473 I CA 1.195 62.488 61.300 -0.011 0.000 1.451 473 I CB -0.074 37.925 38.000 -0.000 0.000 1.093 473 I HN 0.128 nan 8.210 nan 0.000 0.430 474 E N 1.104 121.283 120.200 -0.035 0.000 2.285 474 E HA -0.052 4.298 4.350 0.000 0.000 0.194 474 E C 2.276 178.883 176.600 0.011 0.000 0.997 474 E CA 0.821 57.212 56.400 -0.014 0.000 0.845 474 E CB 0.070 29.742 29.700 -0.046 0.000 0.782 474 E HN 0.498 nan 8.360 nan 0.000 0.491 475 A N 1.103 123.929 122.820 0.010 0.000 1.874 475 A HA -0.066 4.254 4.320 0.000 0.000 0.214 475 A C 2.118 179.743 177.584 0.068 0.000 1.189 475 A CA 0.600 52.655 52.037 0.030 0.000 0.615 475 A CB -0.469 18.543 19.000 0.021 0.000 0.830 475 A HN 0.117 nan 8.150 nan 0.000 0.443 476 L N -0.482 120.775 121.223 0.057 0.000 2.131 476 L HA -0.244 4.097 4.340 0.000 0.000 0.210 476 L C 2.796 179.755 176.870 0.149 0.000 1.092 476 L CA 1.607 56.492 54.840 0.076 0.000 0.759 476 L CB -0.526 41.528 42.059 -0.009 0.000 0.903 476 L HN 0.598 nan 8.230 nan 0.000 0.435 477 Q N 0.485 120.354 119.800 0.115 0.000 2.197 477 Q HA -0.189 4.152 4.340 0.000 0.000 0.207 477 Q C 1.271 177.368 176.000 0.162 0.000 0.984 477 Q CA 1.300 57.188 55.803 0.143 0.000 0.869 477 Q CB 0.210 29.000 28.738 0.087 0.000 0.906 477 Q HN 0.369 nan 8.270 nan 0.000 0.426 478 R N 0.141 120.713 120.500 0.120 0.000 2.702 478 R HA 0.117 4.457 4.340 0.000 0.000 0.314 478 R C -0.463 175.912 176.300 0.124 0.000 1.152 478 R CA -0.096 56.048 56.100 0.074 0.000 1.097 478 R CB -0.095 30.225 30.300 0.032 0.000 1.343 478 R HN 0.287 nan 8.270 nan 0.000 0.575 479 H N 1.045 120.182 119.070 0.112 0.000 2.544 479 H HA 0.027 4.583 4.556 0.000 0.000 0.365 479 H C 1.297 176.729 175.328 0.173 0.000 1.268 479 H CA 0.097 56.218 56.048 0.122 0.000 1.400 479 H CB 1.247 31.084 29.762 0.125 0.000 1.538 479 H HN 0.158 nan 8.280 nan 0.000 0.597 480 E N 0.891 120.854 120.200 -0.395 0.000 2.042 480 E HA -0.105 4.246 4.350 0.000 0.000 0.189 480 E C 0.358 177.029 176.600 0.118 0.000 0.974 480 E CA 0.311 56.629 56.400 -0.138 0.000 0.806 480 E CB -0.251 29.306 29.700 -0.239 0.000 0.769 480 E HN 0.459 nan 8.360 nan 0.000 0.451 481 N N 1.535 120.298 118.700 0.104 0.000 2.412 481 N HA -0.141 4.600 4.740 0.000 0.000 0.258 481 N C 0.743 176.326 175.510 0.121 0.000 1.236 481 N CA 0.589 53.757 53.050 0.196 0.000 0.882 481 N CB 0.870 39.510 38.487 0.255 0.000 1.066 481 N HN 0.474 nan 8.380 nan 0.000 0.465 482 E N 2.834 123.014 120.200 -0.034 0.000 2.012 482 E HA -0.247 4.103 4.350 0.000 0.000 0.197 482 E C 1.482 177.706 176.600 -0.627 0.000 1.007 482 E CA 1.717 57.807 56.400 -0.517 0.000 0.816 482 E CB -0.420 29.174 29.700 -0.177 0.000 0.762 482 E HN 0.668 nan 8.360 nan 0.000 0.451 483 S N -0.643 114.905 115.700 -0.253 0.000 2.389 483 S HA -0.211 4.260 4.470 0.000 0.000 0.231 483 S C 1.864 176.354 174.600 -0.184 0.000 1.052 483 S CA 1.711 59.807 58.200 -0.173 0.000 1.053 483 S CB -0.454 62.705 63.200 -0.068 0.000 0.886 483 S HN 0.283 nan 8.310 nan 0.000 0.456 484 V N 1.820 121.650 119.914 -0.141 0.000 2.238 484 V HA -0.121 3.999 4.120 0.000 0.000 0.235 484 V C 2.169 178.233 176.094 -0.051 0.000 1.037 484 V CA 2.016 64.273 62.300 -0.072 0.000 0.991 484 V CB -1.629 30.197 31.823 0.005 0.000 0.638 484 V HN 0.768 nan 8.190 nan 0.000 0.457 485 Y N 1.578 121.943 120.300 0.109 0.000 2.173 485 Y HA -0.282 4.268 4.550 0.000 0.000 0.282 485 Y C 2.195 178.128 175.900 0.056 0.000 1.192 485 Y CA 1.696 59.848 58.100 0.086 0.000 1.176 485 Y CB -1.191 37.323 38.460 0.090 0.000 0.969 485 Y HN 0.167 nan 8.280 nan 0.000 0.519 486 K N 0.777 121.027 120.400 -0.250 0.000 2.001 486 K HA -0.048 4.272 4.320 0.000 0.000 0.208 486 K C 2.615 179.213 176.600 -0.004 0.000 1.048 486 K CA 1.182 57.423 56.287 -0.076 0.000 0.932 486 K CB -0.527 31.828 32.500 -0.241 0.000 0.715 486 K HN 0.445 nan 8.250 nan 0.000 0.437 487 A N 1.524 124.319 122.820 -0.042 0.000 1.908 487 A HA -0.192 4.128 4.320 0.000 0.000 0.218 487 A C 2.274 179.886 177.584 0.048 0.000 1.181 487 A CA 2.041 54.079 52.037 0.003 0.000 0.627 487 A CB -0.613 18.378 19.000 -0.016 0.000 0.818 487 A HN 0.215 nan 8.150 nan 0.000 0.445 488 S N -0.246 115.489 115.700 0.058 0.000 2.363 488 S HA -0.196 4.275 4.470 0.000 0.000 0.218 488 S C 1.889 176.551 174.600 0.104 0.000 1.035 488 S CA 1.486 59.738 58.200 0.087 0.000 1.043 488 S CB -0.797 62.461 63.200 0.097 0.000 0.986 488 S HN 0.617 nan 8.310 nan 0.000 0.423 489 L N 3.236 124.528 121.223 0.114 0.000 2.011 489 L HA -0.264 4.076 4.340 0.000 0.000 0.225 489 L C 2.013 178.929 176.870 0.077 0.000 1.084 489 L CA 2.187 57.087 54.840 0.100 0.000 0.791 489 L CB -1.266 40.864 42.059 0.118 0.000 0.898 489 L HN 0.317 nan 8.230 nan 0.000 0.440 490 N N -0.032 118.706 118.700 0.063 0.000 2.021 490 N HA -0.264 4.476 4.740 0.000 0.000 0.198 490 N C 1.960 177.487 175.510 0.030 0.000 1.041 490 N CA 2.650 55.717 53.050 0.028 0.000 0.862 490 N CB -0.398 38.107 38.487 0.029 0.000 1.048 490 N HN 0.554 nan 8.380 nan 0.000 0.427 491 L N 0.684 121.969 121.223 0.104 0.000 1.990 491 L HA -0.228 4.112 4.340 0.000 0.000 0.213 491 L C 2.491 179.501 176.870 0.232 0.000 1.072 491 L CA 0.903 55.855 54.840 0.187 0.000 0.755 491 L CB -0.555 41.645 42.059 0.235 0.000 0.889 491 L HN 0.201 nan 8.230 nan 0.000 0.432 492 I N 0.551 121.270 120.570 0.248 0.000 2.052 492 I HA -0.334 3.836 4.170 0.000 0.000 0.235 492 I C 2.682 178.922 176.117 0.206 0.000 1.046 492 I CA 2.266 63.749 61.300 0.304 0.000 1.308 492 I CB -1.515 36.570 38.000 0.141 0.000 1.031 492 I HN 0.493 nan 8.210 nan 0.000 0.395 493 E N 1.661 121.904 120.200 0.072 0.000 2.038 493 E HA -0.298 4.052 4.350 0.000 0.000 0.195 493 E C 2.227 178.763 176.600 -0.106 0.000 1.000 493 E CA 1.718 58.117 56.400 -0.001 0.000 0.803 493 E CB -0.551 29.138 29.700 -0.018 0.000 0.750 493 E HN 0.470 nan 8.360 nan 0.000 0.448 494 K N -0.437 119.832 120.400 -0.219 0.000 2.211 494 K HA -0.134 4.187 4.320 0.000 0.000 0.203 494 K C 0.687 176.804 176.600 -0.804 0.000 1.050 494 K CA 1.266 57.245 56.287 -0.513 0.000 0.945 494 K CB 0.056 32.156 32.500 -0.667 0.000 0.732 494 K HN 0.248 nan 8.250 nan 0.000 0.451 495 Y N -1.994 118.063 120.300 -0.404 0.000 2.527 495 Y HA 0.235 4.785 4.550 0.000 0.000 0.247 495 Y C 0.308 175.663 175.900 -0.909 0.000 1.138 495 Y CA -0.585 57.055 58.100 -0.767 0.000 1.228 495 Y CB 0.654 38.253 38.460 -1.435 0.000 1.252 495 Y HN -0.061 nan 8.280 nan 0.000 0.531 496 F N -1.593 118.354 119.950 -0.005 0.000 1.985 496 F HA 0.536 5.063 4.527 0.000 0.000 0.215 496 F C 1.760 177.561 175.800 0.002 0.000 1.274 496 F CA -0.208 57.806 58.000 0.023 0.000 1.258 496 F CB -0.878 38.144 39.000 0.036 0.000 1.952 496 F HN -0.262 nan 8.300 nan 0.000 0.131 497 S N 0.000 115.849 115.700 0.248 0.000 2.498 497 S HA 0.000 4.470 4.470 0.000 0.000 0.327 497 S CA 0.000 58.269 58.200 0.115 0.000 1.107 497 S CB 0.000 63.250 63.200 0.084 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517