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 3l2v_1_A DATA FIRST_RESID 10 DATA SEQUENCE AELDQLLQGH YIKGYPKQYT YFLEDGKVKV SRPEGVKIIP PQSDRQKIVL DATA SEQUENCE QAHNLAHTGR EATLLKIANL YWWPNMRKDV VKQLGRCQQC LITNASNKAS DATA SEQUENCE GPILRPDRPQ KPFDKFFIDY IGPLPPSQGY LYVLVVVDGM TGFTWLYPTK DATA SEQUENCE APSTSATVKS LNVLTSIAIP KVIHSDQGAA FTSSTFAEWA KERGIHLEFS DATA SEQUENCE TPYHPQSSGK VERKNSDIKR LLTKLLVGRP TKWYDLLPVV QLALNNTYSP DATA SEQUENCE VLKYTPHQLL FGIDSNTPFA NQDTLDLTRE EELSLLQEIR TSLYHPSTPP DATA SEQUENCE ASSRSWSPVV GQLVQERVAR PASLRPRWHK PSTVLKVLNP RTVVILDHLG DATA SEQUENCE NNRTVSIDNL KPTSH 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.541 177.584 -0.072 0.000 1.274 10 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 10 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 11 E N 0.783 120.930 120.200 -0.088 0.000 2.427 11 E HA -0.011 4.340 4.350 0.001 0.000 0.196 11 E C 1.180 177.680 176.600 -0.168 0.000 1.028 11 E CA 1.447 57.778 56.400 -0.116 0.000 0.864 11 E CB -0.265 29.368 29.700 -0.112 0.000 0.813 11 E HN 0.493 nan 8.360 nan 0.000 0.514 12 L N 1.628 122.760 121.223 -0.153 0.000 2.291 12 L HA -0.067 4.274 4.340 0.001 0.000 0.214 12 L C 2.279 179.071 176.870 -0.130 0.000 1.120 12 L CA 1.286 56.019 54.840 -0.178 0.000 0.799 12 L CB -0.696 41.305 42.059 -0.097 0.000 0.925 12 L HN 0.027 nan 8.230 nan 0.000 0.446 13 D N 0.398 120.744 120.400 -0.090 0.000 2.127 13 D HA -0.260 4.380 4.640 0.001 0.000 0.190 13 D C 2.086 178.353 176.300 -0.055 0.000 1.000 13 D CA 1.629 55.594 54.000 -0.057 0.000 0.839 13 D CB 0.132 40.902 40.800 -0.049 0.000 0.955 13 D HN 0.319 nan 8.370 nan 0.000 0.446 14 Q N -0.178 119.574 119.800 -0.081 0.000 2.173 14 Q HA -0.156 4.185 4.340 0.001 0.000 0.208 14 Q C 2.139 178.129 176.000 -0.016 0.000 0.989 14 Q CA 0.952 56.723 55.803 -0.054 0.000 0.872 14 Q CB -0.407 28.274 28.738 -0.095 0.000 0.909 14 Q HN 0.292 nan 8.270 nan 0.000 0.420 15 L N -0.404 120.743 121.223 -0.127 0.000 2.056 15 L HA -0.106 4.234 4.340 0.001 0.000 0.207 15 L C 1.741 178.557 176.870 -0.089 0.000 1.078 15 L CA 1.480 56.199 54.840 -0.202 0.000 0.749 15 L CB -0.339 41.465 42.059 -0.425 0.000 0.901 15 L HN 0.244 nan 8.230 nan 0.000 0.433 16 L N -0.882 120.328 121.223 -0.023 0.000 2.261 16 L HA -0.221 4.119 4.340 0.001 0.000 0.216 16 L C 2.056 178.972 176.870 0.076 0.000 1.114 16 L CA 1.100 55.977 54.840 0.062 0.000 0.777 16 L CB -0.392 41.705 42.059 0.062 0.000 0.910 16 L HN 0.431 nan 8.230 nan 0.000 0.440 17 Q N -0.796 119.050 119.800 0.076 0.000 2.320 17 Q HA 0.178 4.518 4.340 0.001 0.000 0.201 17 Q C 1.378 177.411 176.000 0.055 0.000 0.910 17 Q CA 0.518 56.389 55.803 0.112 0.000 0.946 17 Q CB 0.704 29.554 28.738 0.186 0.000 1.062 17 Q HN 0.502 nan 8.270 nan 0.000 0.503 18 G N 0.867 109.674 108.800 0.012 0.000 2.175 18 G HA2 -0.215 3.745 3.960 0.001 0.000 0.244 18 G HA3 -0.215 3.745 3.960 0.001 0.000 0.244 18 G C -0.101 174.702 174.900 -0.160 0.000 0.982 18 G CA -0.322 44.733 45.100 -0.075 0.000 0.641 18 G HN 0.442 nan 8.290 nan 0.000 0.527 19 H N -0.812 118.265 119.070 0.012 0.000 2.525 19 H HA 0.427 4.984 4.556 0.001 0.000 0.339 19 H C 0.059 175.408 175.328 0.035 0.000 1.109 19 H CA -0.366 55.700 56.048 0.031 0.000 1.352 19 H CB 1.238 31.003 29.762 0.005 0.000 1.461 19 H HN 0.222 nan 8.280 nan 0.000 0.533 20 Y N 2.309 122.652 120.300 0.072 0.000 2.326 20 Y HA 0.304 4.854 4.550 0.001 0.000 0.333 20 Y C -0.439 175.478 175.900 0.028 0.000 1.240 20 Y CA -0.204 57.919 58.100 0.037 0.000 1.365 20 Y CB 0.396 38.888 38.460 0.053 0.000 1.289 20 Y HN 0.418 nan 8.280 nan 0.000 0.548 21 I N 3.756 123.804 120.570 -0.870 0.000 2.769 21 I HA 0.379 4.550 4.170 0.001 0.000 0.298 21 I C -0.382 175.266 176.117 -0.781 0.000 1.128 21 I CA -1.439 59.486 61.300 -0.625 0.000 1.031 21 I CB 1.712 39.487 38.000 -0.375 0.000 1.235 21 I HN 0.634 nan 8.210 nan 0.000 0.423 22 K N 3.628 123.839 120.400 -0.316 0.000 2.491 22 K HA 0.480 4.800 4.320 0.001 0.000 0.279 22 K C 0.758 177.380 176.600 0.038 0.000 1.026 22 K CA 0.801 57.042 56.287 -0.076 0.000 1.070 22 K CB -0.801 31.718 32.500 0.030 0.000 0.887 22 K HN 1.266 nan 8.250 nan 0.000 0.481 23 G N 1.391 110.242 108.800 0.085 0.000 2.498 23 G HA2 -0.193 3.767 3.960 0.001 0.000 0.251 23 G HA3 -0.193 3.767 3.960 0.001 0.000 0.251 23 G C 0.253 175.280 174.900 0.212 0.000 1.170 23 G CA 0.426 45.588 45.100 0.102 0.000 0.944 23 G HN 1.980 nan 8.290 nan 0.000 0.567 24 Y N 0.591 121.061 120.300 0.283 0.000 2.993 24 Y HA -0.110 4.440 4.550 0.001 0.000 0.206 24 Y C -1.424 174.692 175.900 0.360 0.000 1.256 24 Y CA 0.846 59.148 58.100 0.337 0.000 0.808 24 Y CB -1.706 36.769 38.460 0.025 0.000 1.211 24 Y HN 0.570 nan 8.280 nan 0.000 0.417 25 P HA 0.236 nan 4.420 nan 0.000 0.271 25 P C 0.283 177.835 177.300 0.419 0.000 1.226 25 P CA 0.237 63.612 63.100 0.458 0.000 0.765 25 P CB 0.797 32.694 31.700 0.327 0.000 0.835 26 K N 2.730 123.334 120.400 0.340 0.000 2.230 26 K HA 0.114 4.435 4.320 0.001 0.000 0.253 26 K C 1.055 177.639 176.600 -0.026 0.000 1.008 26 K CA 0.716 57.147 56.287 0.240 0.000 0.910 26 K CB -0.564 32.043 32.500 0.179 0.000 0.994 26 K HN 0.840 nan 8.250 nan 0.000 0.495 27 Q N -3.149 116.623 119.800 -0.048 0.000 6.516 27 Q HA -0.144 4.196 4.340 0.001 0.000 0.310 27 Q C -0.826 175.035 176.000 -0.231 0.000 0.961 27 Q CA 0.913 56.596 55.803 -0.200 0.000 0.731 27 Q CB -1.793 26.744 28.738 -0.335 0.000 0.457 27 Q HN 0.707 nan 8.270 nan 0.000 0.997 28 Y N 3.365 123.651 120.300 -0.024 0.000 2.310 28 Y HA 0.554 5.105 4.550 0.001 0.000 0.326 28 Y C 0.598 176.390 175.900 -0.181 0.000 1.151 28 Y CA 0.205 58.188 58.100 -0.195 0.000 1.195 28 Y CB 1.407 39.593 38.460 -0.455 0.000 1.210 28 Y HN 0.139 nan 8.280 nan 0.000 0.483 29 T N 0.382 114.962 114.554 0.043 0.000 2.780 29 T HA 0.366 4.716 4.350 0.001 0.000 0.294 29 T C -0.951 173.806 174.700 0.094 0.000 0.949 29 T CA -0.637 61.536 62.100 0.122 0.000 1.074 29 T CB -0.209 68.737 68.868 0.130 0.000 0.910 29 T HN 0.396 nan 8.240 nan 0.000 0.501 30 Y N 3.716 124.146 120.300 0.218 0.000 2.385 30 Y HA 0.497 5.048 4.550 0.001 0.000 0.341 30 Y C 0.145 176.159 175.900 0.190 0.000 0.965 30 Y CA -1.470 56.723 58.100 0.155 0.000 1.180 30 Y CB 0.337 38.866 38.460 0.114 0.000 1.139 30 Y HN 0.768 nan 8.280 nan 0.000 0.502 31 F N 1.254 121.297 119.950 0.154 0.000 2.671 31 F HA 0.857 5.384 4.527 0.001 0.000 0.373 31 F C -1.654 174.207 175.800 0.101 0.000 1.122 31 F CA -1.784 56.281 58.000 0.107 0.000 1.082 31 F CB 1.113 40.151 39.000 0.062 0.000 1.399 31 F HN 0.211 nan 8.300 nan 0.000 0.509 32 L N 0.759 122.136 121.223 0.255 0.000 2.362 32 L HA 0.589 4.929 4.340 0.001 0.000 0.275 32 L C -1.344 175.651 176.870 0.208 0.000 0.998 32 L CA -0.143 54.771 54.840 0.123 0.000 0.820 32 L CB 1.827 43.951 42.059 0.108 0.000 1.270 32 L HN 0.823 nan 8.230 nan 0.000 0.415 33 E N 3.018 123.287 120.200 0.114 0.000 2.307 33 E HA 0.244 4.595 4.350 0.001 0.000 0.280 33 E C -1.296 175.350 176.600 0.077 0.000 0.900 33 E CA -0.490 55.993 56.400 0.139 0.000 0.790 33 E CB 1.449 31.278 29.700 0.216 0.000 1.261 33 E HN 0.784 nan 8.360 nan 0.000 0.405 34 D N 1.975 122.417 120.400 0.069 0.000 2.870 34 D HA -0.198 4.442 4.640 0.001 0.000 0.228 34 D C 0.655 176.981 176.300 0.043 0.000 1.147 34 D CA 1.176 55.206 54.000 0.051 0.000 0.757 34 D CB -1.210 39.618 40.800 0.047 0.000 1.091 34 D HN 0.908 nan 8.370 nan 0.000 0.429 35 G N -0.681 108.145 108.800 0.044 0.000 2.203 35 G HA2 -0.397 3.563 3.960 0.001 0.000 0.263 35 G HA3 -0.397 3.563 3.960 0.001 0.000 0.263 35 G C 0.130 175.051 174.900 0.033 0.000 1.012 35 G CA 0.835 45.956 45.100 0.036 0.000 0.749 35 G HN 0.530 nan 8.290 nan 0.000 0.512 36 K N -0.831 119.590 120.400 0.034 0.000 2.328 36 K HA 0.627 4.948 4.320 0.001 0.000 0.246 36 K C -0.019 176.585 176.600 0.006 0.000 0.955 36 K CA -1.005 55.302 56.287 0.033 0.000 0.817 36 K CB 2.710 35.237 32.500 0.045 0.000 1.208 36 K HN 0.023 nan 8.250 nan 0.000 0.432 37 V N 3.122 123.048 119.914 0.020 0.000 2.339 37 V HA 0.200 4.321 4.120 0.001 0.000 0.261 37 V C -0.044 176.021 176.094 -0.049 0.000 1.058 37 V CA -0.524 61.776 62.300 0.001 0.000 0.897 37 V CB -0.022 31.838 31.823 0.061 0.000 1.052 37 V HN 0.603 nan 8.190 nan 0.000 0.480 38 K N 2.933 123.153 120.400 -0.299 0.000 2.106 38 K HA 0.811 5.131 4.320 0.001 0.000 0.246 38 K C -1.024 175.244 176.600 -0.553 0.000 0.987 38 K CA -0.764 55.228 56.287 -0.493 0.000 0.904 38 K CB 2.556 34.547 32.500 -0.849 0.000 1.071 38 K HN 0.411 nan 8.250 nan 0.000 0.453 39 V N 0.695 120.390 119.914 -0.365 0.000 2.733 39 V HA 0.183 4.304 4.120 0.001 0.000 0.306 39 V C -1.034 174.936 176.094 -0.206 0.000 1.084 39 V CA -0.514 61.602 62.300 -0.307 0.000 0.905 39 V CB 2.064 33.680 31.823 -0.345 0.000 1.010 39 V HN 0.831 nan 8.190 nan 0.000 0.424 40 S N 7.347 122.998 115.700 -0.082 0.000 2.448 40 S HA 0.627 5.097 4.470 0.001 0.000 0.279 40 S C -0.207 174.213 174.600 -0.300 0.000 1.195 40 S CA -0.285 57.877 58.200 -0.062 0.000 1.051 40 S CB -0.020 63.218 63.200 0.063 0.000 0.948 40 S HN 0.781 nan 8.310 nan 0.000 0.493 41 R N 3.853 124.155 120.500 -0.330 0.000 2.837 41 R HA 0.388 4.728 4.340 0.001 0.000 0.271 41 R C -1.871 174.285 176.300 -0.240 0.000 0.993 41 R CA -2.190 53.612 56.100 -0.497 0.000 0.931 41 R CB 1.053 30.949 30.300 -0.673 0.000 1.206 41 R HN 0.318 nan 8.270 nan 0.000 0.474 42 P HA -0.294 nan 4.420 nan 0.000 0.218 42 P C 1.280 178.531 177.300 -0.081 0.000 1.165 42 P CA 2.246 65.301 63.100 -0.076 0.000 0.922 42 P CB 0.174 31.850 31.700 -0.040 0.000 0.794 43 E N -0.146 119.993 120.200 -0.103 0.000 2.209 43 E HA 0.132 4.482 4.350 0.001 0.000 0.196 43 E C 1.158 177.717 176.600 -0.069 0.000 0.993 43 E CA 1.477 57.833 56.400 -0.073 0.000 0.819 43 E CB -1.014 28.647 29.700 -0.065 0.000 0.745 43 E HN 0.520 nan 8.360 nan 0.000 0.477 44 G N -2.659 106.085 108.800 -0.093 0.000 2.325 44 G HA2 0.243 4.203 3.960 0.001 0.000 0.285 44 G HA3 0.243 4.203 3.960 0.001 0.000 0.285 44 G C -1.040 173.809 174.900 -0.085 0.000 1.303 44 G CA -0.304 44.755 45.100 -0.069 0.000 0.970 44 G HN 0.708 nan 8.290 nan 0.000 0.490 45 V N 2.193 122.084 119.914 -0.038 0.000 2.348 45 V HA 0.540 4.661 4.120 0.001 0.000 0.270 45 V C -0.144 175.928 176.094 -0.035 0.000 1.037 45 V CA -0.469 61.822 62.300 -0.016 0.000 0.872 45 V CB 1.050 32.931 31.823 0.097 0.000 1.002 45 V HN 0.590 nan 8.190 nan 0.000 0.464 46 K N 4.411 124.776 120.400 -0.058 0.000 2.221 46 K HA 0.660 4.981 4.320 0.001 0.000 0.243 46 K C -0.519 176.097 176.600 0.027 0.000 0.968 46 K CA -0.839 55.442 56.287 -0.009 0.000 0.846 46 K CB 2.640 35.180 32.500 0.068 0.000 1.141 46 K HN 0.422 nan 8.250 nan 0.000 0.434 47 I N 1.983 122.600 120.570 0.078 0.000 2.472 47 I HA 0.292 4.463 4.170 0.001 0.000 0.290 47 I C 0.166 176.517 176.117 0.389 0.000 1.016 47 I CA -0.585 60.819 61.300 0.173 0.000 1.348 47 I CB 0.603 38.703 38.000 0.166 0.000 1.417 47 I HN 0.268 nan 8.210 nan 0.000 0.521 48 I N 7.259 128.033 120.570 0.340 0.000 2.359 48 I HA 0.320 4.491 4.170 0.001 0.000 0.284 48 I C -2.346 173.930 176.117 0.265 0.000 1.018 48 I CA -1.952 59.598 61.300 0.416 0.000 1.173 48 I CB 0.902 39.186 38.000 0.473 0.000 1.326 48 I HN 0.240 nan 8.210 nan 0.000 0.462 49 P HA 0.174 nan 4.420 nan 0.000 0.271 49 P C -2.445 174.791 177.300 -0.108 0.000 1.218 49 P CA -1.302 61.774 63.100 -0.040 0.000 0.780 49 P CB -0.171 31.353 31.700 -0.294 0.000 0.901 50 P HA -0.039 nan 4.420 nan 0.000 0.268 50 P C 0.839 178.012 177.300 -0.212 0.000 1.204 50 P CA 0.097 63.127 63.100 -0.117 0.000 0.768 50 P CB 0.710 32.357 31.700 -0.088 0.000 0.842 51 Q N 4.301 123.980 119.800 -0.201 0.000 2.188 51 Q HA -0.318 4.022 4.340 0.001 0.000 0.217 51 Q C 1.907 177.751 176.000 -0.260 0.000 1.018 51 Q CA 3.395 59.045 55.803 -0.256 0.000 0.910 51 Q CB -1.115 27.526 28.738 -0.161 0.000 0.979 51 Q HN 0.556 nan 8.270 nan 0.000 0.413 52 S N -1.338 114.251 115.700 -0.186 0.000 2.474 52 S HA -0.103 4.368 4.470 0.001 0.000 0.235 52 S C 1.256 175.751 174.600 -0.175 0.000 0.997 52 S CA 1.126 59.232 58.200 -0.157 0.000 0.949 52 S CB -0.107 63.027 63.200 -0.110 0.000 0.766 52 S HN 0.437 nan 8.310 nan 0.000 0.517 53 D N 1.286 121.557 120.400 -0.216 0.000 2.333 53 D HA 0.163 4.803 4.640 0.001 0.000 0.208 53 D C 2.106 178.221 176.300 -0.308 0.000 0.984 53 D CA 0.293 54.160 54.000 -0.222 0.000 0.873 53 D CB -0.082 40.597 40.800 -0.202 0.000 0.935 53 D HN 0.457 nan 8.370 nan 0.000 0.521 54 R N 0.412 120.643 120.500 -0.448 0.000 2.092 54 R HA -0.070 4.271 4.340 0.001 0.000 0.231 54 R C 2.202 178.294 176.300 -0.346 0.000 1.119 54 R CA 0.762 56.469 56.100 -0.656 0.000 0.970 54 R CB -0.075 29.519 30.300 -1.176 0.000 0.864 54 R HN 0.228 nan 8.270 nan 0.000 0.440 55 Q N 1.471 121.126 119.800 -0.242 0.000 2.020 55 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 55 Q C 2.098 178.037 176.000 -0.102 0.000 0.982 55 Q CA 1.606 57.327 55.803 -0.136 0.000 0.838 55 Q CB -0.012 28.655 28.738 -0.118 0.000 0.899 55 Q HN 0.128 nan 8.270 nan 0.000 0.423 56 K N 0.320 120.652 120.400 -0.113 0.000 2.113 56 K HA -0.185 4.136 4.320 0.001 0.000 0.208 56 K C 1.994 178.554 176.600 -0.067 0.000 1.047 56 K CA 1.462 57.700 56.287 -0.081 0.000 0.928 56 K CB -0.174 32.275 32.500 -0.085 0.000 0.716 56 K HN 0.338 nan 8.250 nan 0.000 0.446 57 I N 0.518 121.027 120.570 -0.102 0.000 2.133 57 I HA -0.261 3.910 4.170 0.001 0.000 0.238 57 I C 2.339 178.470 176.117 0.024 0.000 1.074 57 I CA 0.935 62.193 61.300 -0.070 0.000 1.342 57 I CB -0.380 37.501 38.000 -0.198 0.000 1.053 57 I HN -0.035 nan 8.210 nan 0.000 0.404 58 V N 1.056 121.004 119.914 0.058 0.000 2.324 58 V HA -0.309 3.812 4.120 0.001 0.000 0.250 58 V C 2.471 178.590 176.094 0.041 0.000 1.060 58 V CA 1.869 64.215 62.300 0.076 0.000 1.042 58 V CB -0.648 31.222 31.823 0.078 0.000 0.650 58 V HN 0.360 nan 8.190 nan 0.000 0.450 59 L N -0.528 120.699 121.223 0.007 0.000 2.046 59 L HA -0.204 4.136 4.340 0.001 0.000 0.208 59 L C 2.532 179.418 176.870 0.027 0.000 1.077 59 L CA 1.948 56.791 54.840 0.005 0.000 0.747 59 L CB -0.544 41.502 42.059 -0.020 0.000 0.896 59 L HN 0.320 nan 8.230 nan 0.000 0.432 60 Q N -1.058 118.754 119.800 0.021 0.000 2.050 60 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 60 Q C 2.255 178.273 176.000 0.029 0.000 0.980 60 Q CA 1.794 57.612 55.803 0.024 0.000 0.840 60 Q CB -0.351 28.407 28.738 0.033 0.000 0.898 60 Q HN 0.698 nan 8.270 nan 0.000 0.424 61 A N 0.380 123.232 122.820 0.052 0.000 1.851 61 A HA -0.293 4.028 4.320 0.001 0.000 0.216 61 A C 1.792 179.388 177.584 0.021 0.000 1.195 61 A CA 2.072 54.139 52.037 0.050 0.000 0.622 61 A CB -1.133 17.913 19.000 0.075 0.000 0.831 61 A HN 0.561 nan 8.150 nan 0.000 0.444 62 H N 0.330 119.363 119.070 -0.062 0.000 2.319 62 H HA -0.140 4.417 4.556 0.001 0.000 0.297 62 H C 1.588 176.795 175.328 -0.202 0.000 1.097 62 H CA 2.162 58.141 56.048 -0.115 0.000 1.285 62 H CB -0.183 29.498 29.762 -0.134 0.000 1.368 62 H HN 0.407 nan 8.280 nan 0.000 0.495 63 N N 0.219 118.792 118.700 -0.212 0.000 2.635 63 N HA -0.081 4.659 4.740 0.001 0.000 0.191 63 N C 1.651 177.063 175.510 -0.162 0.000 1.155 63 N CA 0.562 53.416 53.050 -0.326 0.000 0.927 63 N CB -0.170 38.249 38.487 -0.113 0.000 0.976 63 N HN 0.453 nan 8.380 nan 0.000 0.448 64 L N -0.517 120.632 121.223 -0.124 0.000 2.005 64 L HA -0.071 4.269 4.340 0.001 0.000 0.207 64 L C 1.541 178.393 176.870 -0.029 0.000 1.072 64 L CA 1.460 56.271 54.840 -0.048 0.000 0.744 64 L CB -0.106 41.934 42.059 -0.032 0.000 0.895 64 L HN 0.120 nan 8.230 nan 0.000 0.433 65 A N -3.667 119.107 122.820 -0.076 0.000 2.661 65 A HA 0.180 4.500 4.320 0.001 0.000 0.278 65 A C 0.040 177.608 177.584 -0.026 0.000 1.090 65 A CA -0.369 51.656 52.037 -0.021 0.000 0.969 65 A CB -0.145 18.843 19.000 -0.020 0.000 1.240 65 A HN 0.450 nan 8.150 nan 0.000 0.578 66 H N 1.529 120.355 119.070 -0.406 0.000 2.748 66 H HA -0.142 4.414 4.556 0.001 0.000 0.322 66 H C 0.223 175.317 175.328 -0.390 0.000 1.208 66 H CA 1.147 56.793 56.048 -0.671 0.000 1.151 66 H CB -1.809 27.820 29.762 -0.223 0.000 1.505 66 H HN 0.730 nan 8.280 nan 0.000 0.429 67 T N -2.015 112.350 114.554 -0.314 0.000 2.899 67 T HA 0.541 4.892 4.350 0.001 0.000 0.284 67 T C 1.333 176.117 174.700 0.140 0.000 1.004 67 T CA -0.277 61.807 62.100 -0.026 0.000 1.043 67 T CB 2.447 71.299 68.868 -0.026 0.000 1.013 67 T HN 0.392 nan 8.240 nan 0.000 0.518 68 G N 0.182 109.050 108.800 0.115 0.000 2.525 68 G HA2 0.205 4.165 3.960 0.001 0.000 0.276 68 G HA3 0.205 4.165 3.960 0.001 0.000 0.276 68 G C 0.875 175.826 174.900 0.086 0.000 1.388 68 G CA -0.622 44.552 45.100 0.123 0.000 1.050 68 G HN 0.835 nan 8.290 nan 0.000 0.520 69 R N -0.587 119.947 120.500 0.057 0.000 2.113 69 R HA -0.111 4.229 4.340 0.001 0.000 0.231 69 R C 2.372 178.676 176.300 0.006 0.000 1.129 69 R CA 1.963 58.071 56.100 0.013 0.000 0.915 69 R CB -0.459 29.849 30.300 0.012 0.000 0.837 69 R HN 0.561 nan 8.270 nan 0.000 0.430 70 E N 0.193 120.400 120.200 0.011 0.000 2.051 70 E HA -0.144 4.206 4.350 0.001 0.000 0.192 70 E C 1.940 178.541 176.600 0.003 0.000 0.991 70 E CA 1.277 57.678 56.400 0.001 0.000 0.799 70 E CB -0.474 29.229 29.700 0.005 0.000 0.748 70 E HN 0.461 nan 8.360 nan 0.000 0.449 71 A N 0.962 123.790 122.820 0.014 0.000 1.892 71 A HA -0.219 4.101 4.320 0.001 0.000 0.218 71 A C 2.486 180.077 177.584 0.011 0.000 1.188 71 A CA 2.500 54.544 52.037 0.012 0.000 0.631 71 A CB -1.067 17.943 19.000 0.015 0.000 0.822 71 A HN 0.299 nan 8.150 nan 0.000 0.447 72 T N 0.037 114.606 114.554 0.026 0.000 2.674 72 T HA -0.145 4.206 4.350 0.001 0.000 0.265 72 T C 1.877 176.579 174.700 0.003 0.000 1.039 72 T CA 1.488 63.606 62.100 0.031 0.000 1.150 72 T CB -0.503 68.409 68.868 0.074 0.000 0.864 72 T HN 0.393 nan 8.240 nan 0.000 0.427 73 L N 0.848 122.058 121.223 -0.022 0.000 2.081 73 L HA -0.018 4.322 4.340 0.001 0.000 0.212 73 L C 2.189 179.030 176.870 -0.048 0.000 1.080 73 L CA 1.569 56.371 54.840 -0.062 0.000 0.754 73 L CB -0.626 41.385 42.059 -0.080 0.000 0.893 73 L HN 0.226 nan 8.230 nan 0.000 0.433 74 L N -0.776 120.431 121.223 -0.026 0.000 2.131 74 L HA -0.185 4.155 4.340 0.001 0.000 0.210 74 L C 2.588 179.452 176.870 -0.010 0.000 1.092 74 L CA 0.944 55.773 54.840 -0.018 0.000 0.759 74 L CB -0.490 41.563 42.059 -0.010 0.000 0.903 74 L HN 0.264 nan 8.230 nan 0.000 0.435 75 K N 0.184 120.584 120.400 0.000 0.000 2.001 75 K HA -0.070 4.250 4.320 0.001 0.000 0.208 75 K C 2.017 178.636 176.600 0.030 0.000 1.048 75 K CA 1.418 57.714 56.287 0.014 0.000 0.932 75 K CB -0.426 32.089 32.500 0.024 0.000 0.715 75 K HN 0.261 nan 8.250 nan 0.000 0.437 76 I N 1.404 121.998 120.570 0.040 0.000 2.208 76 I HA -0.288 3.883 4.170 0.001 0.000 0.245 76 I C 2.441 178.587 176.117 0.048 0.000 1.097 76 I CA 1.308 62.664 61.300 0.093 0.000 1.363 76 I CB -0.507 37.504 38.000 0.017 0.000 1.051 76 I HN 0.051 nan 8.210 nan 0.000 0.413 77 A N 1.248 124.054 122.820 -0.023 0.000 1.958 77 A HA -0.285 4.036 4.320 0.001 0.000 0.221 77 A C 2.056 179.632 177.584 -0.014 0.000 1.178 77 A CA 2.318 54.341 52.037 -0.023 0.000 0.642 77 A CB -0.827 18.156 19.000 -0.028 0.000 0.816 77 A HN 0.469 nan 8.150 nan 0.000 0.453 78 N N 0.071 118.757 118.700 -0.023 0.000 2.036 78 N HA -0.150 4.591 4.740 0.001 0.000 0.195 78 N C 1.589 177.040 175.510 -0.098 0.000 1.037 78 N CA 1.862 54.884 53.050 -0.047 0.000 0.855 78 N CB -0.434 38.029 38.487 -0.040 0.000 1.033 78 N HN 0.547 nan 8.380 nan 0.000 0.423 79 L N -1.893 119.224 121.223 -0.177 0.000 2.286 79 L HA 0.124 4.464 4.340 0.001 0.000 0.203 79 L C 0.050 176.637 176.870 -0.471 0.000 1.068 79 L CA 0.446 55.020 54.840 -0.442 0.000 0.811 79 L CB -0.077 41.487 42.059 -0.825 0.000 0.989 79 L HN 0.079 nan 8.230 nan 0.000 0.467 80 Y N -2.272 118.068 120.300 0.066 0.000 2.621 80 Y HA 0.406 4.956 4.550 0.001 0.000 0.334 80 Y C -0.755 175.208 175.900 0.106 0.000 1.074 80 Y CA -1.112 57.062 58.100 0.125 0.000 1.149 80 Y CB 1.366 39.957 38.460 0.218 0.000 1.302 80 Y HN -0.094 nan 8.280 nan 0.000 0.501 81 W N 2.280 123.686 121.300 0.175 0.000 3.256 81 W HA 0.561 5.222 4.660 0.001 0.000 0.324 81 W C -2.257 174.369 176.519 0.178 0.000 1.196 81 W CA -1.193 56.143 57.345 -0.015 0.000 1.206 81 W CB 1.297 30.730 29.460 -0.046 0.000 1.385 81 W HN 0.646 nan 8.180 nan 0.000 0.522 82 W N 4.582 125.251 121.300 -1.052 0.000 2.961 82 W HA 0.816 5.477 4.660 0.001 0.000 0.368 82 W C -2.913 172.479 176.519 -1.878 0.000 1.213 82 W CA -2.383 54.196 57.345 -1.277 0.000 1.173 82 W CB 0.043 29.205 29.460 -0.497 0.000 1.487 82 W HN 0.213 nan 8.180 nan 0.000 0.585 83 P HA 0.118 nan 4.420 nan 0.000 0.280 83 P C -0.399 176.705 177.300 -0.327 0.000 1.244 83 P CA 0.181 62.881 63.100 -0.666 0.000 0.784 83 P CB 0.827 32.261 31.700 -0.442 0.000 0.913 84 N N 1.517 120.046 118.700 -0.285 0.000 2.754 84 N HA -0.152 4.588 4.740 0.001 0.000 0.248 84 N C 1.219 176.606 175.510 -0.205 0.000 1.093 84 N CA 0.586 53.535 53.050 -0.169 0.000 0.699 84 N CB -1.462 36.983 38.487 -0.070 0.000 1.016 84 N HN 0.530 nan 8.380 nan 0.000 0.552 85 M N 0.126 119.443 119.600 -0.473 0.000 2.113 85 M HA -0.264 4.216 4.480 0.001 0.000 0.255 85 M C 2.135 178.280 176.300 -0.259 0.000 1.073 85 M CA 2.097 57.032 55.300 -0.608 0.000 1.091 85 M CB -0.433 31.689 32.600 -0.797 0.000 1.309 85 M HN 0.298 nan 8.290 nan 0.000 0.407 86 R N 0.611 120.991 120.500 -0.200 0.000 2.083 86 R HA -0.140 4.201 4.340 0.001 0.000 0.237 86 R C 2.705 178.954 176.300 -0.086 0.000 1.137 86 R CA 2.189 58.214 56.100 -0.124 0.000 0.951 86 R CB -0.925 29.318 30.300 -0.095 0.000 0.851 86 R HN 0.485 nan 8.270 nan 0.000 0.434 87 K N 1.626 121.986 120.400 -0.067 0.000 2.077 87 K HA -0.277 4.043 4.320 0.001 0.000 0.213 87 K C 1.668 178.244 176.600 -0.040 0.000 1.051 87 K CA 2.333 58.592 56.287 -0.046 0.000 0.929 87 K CB -1.154 31.328 32.500 -0.029 0.000 0.715 87 K HN 0.287 nan 8.250 nan 0.000 0.451 88 D N 0.010 120.411 120.400 0.003 0.000 2.097 88 D HA -0.091 4.549 4.640 0.001 0.000 0.195 88 D C 2.069 178.353 176.300 -0.026 0.000 0.989 88 D CA 1.597 55.613 54.000 0.028 0.000 0.827 88 D CB -0.217 40.694 40.800 0.186 0.000 0.966 88 D HN 0.213 nan 8.370 nan 0.000 0.456 89 V N 1.255 121.144 119.914 -0.042 0.000 2.287 89 V HA -0.241 3.879 4.120 0.001 0.000 0.248 89 V C 2.729 178.718 176.094 -0.176 0.000 1.053 89 V CA 1.285 63.532 62.300 -0.089 0.000 1.027 89 V CB -0.481 31.291 31.823 -0.085 0.000 0.646 89 V HN 0.058 nan 8.190 nan 0.000 0.447 90 V N 0.197 119.995 119.914 -0.194 0.000 2.490 90 V HA -0.240 3.881 4.120 0.001 0.000 0.250 90 V C 2.873 178.766 176.094 -0.335 0.000 1.061 90 V CA 2.351 64.450 62.300 -0.335 0.000 1.064 90 V CB -1.560 30.129 31.823 -0.224 0.000 0.670 90 V HN 0.685 nan 8.190 nan 0.000 0.461 91 K N -0.455 119.833 120.400 -0.187 0.000 2.103 91 K HA -0.240 4.081 4.320 0.001 0.000 0.207 91 K C 2.023 178.527 176.600 -0.161 0.000 1.048 91 K CA 1.692 57.895 56.287 -0.139 0.000 0.930 91 K CB -0.581 31.866 32.500 -0.088 0.000 0.716 91 K HN 0.532 nan 8.250 nan 0.000 0.444 92 Q N -0.031 119.652 119.800 -0.194 0.000 2.062 92 Q HA 0.121 4.462 4.340 0.001 0.000 0.196 92 Q C 2.329 178.152 176.000 -0.294 0.000 0.967 92 Q CA 1.170 56.839 55.803 -0.222 0.000 0.832 92 Q CB -0.171 28.427 28.738 -0.233 0.000 0.899 92 Q HN 0.629 nan 8.270 nan 0.000 0.442 93 L N -0.125 120.872 121.223 -0.377 0.000 2.261 93 L HA -0.142 4.198 4.340 0.001 0.000 0.216 93 L C 2.139 178.953 176.870 -0.093 0.000 1.114 93 L CA 1.209 55.848 54.840 -0.334 0.000 0.777 93 L CB -0.813 40.984 42.059 -0.436 0.000 0.910 93 L HN 0.257 nan 8.230 nan 0.000 0.440 94 G N -0.324 108.398 108.800 -0.130 0.000 2.511 94 G HA2 -0.129 3.831 3.960 0.001 0.000 0.217 94 G HA3 -0.129 3.831 3.960 0.001 0.000 0.217 94 G C 1.737 176.638 174.900 0.001 0.000 1.133 94 G CA -0.010 45.117 45.100 0.044 0.000 0.792 94 G HN 0.323 nan 8.290 nan 0.000 0.539 95 R N -0.996 119.474 120.500 -0.051 0.000 2.334 95 R HA 0.145 4.485 4.340 0.001 0.000 0.212 95 R C 0.277 176.562 176.300 -0.025 0.000 0.897 95 R CA -0.279 55.798 56.100 -0.038 0.000 1.056 95 R CB 0.112 30.381 30.300 -0.053 0.000 1.046 95 R HN 0.239 nan 8.270 nan 0.000 0.513 96 C N 2.660 121.939 119.300 -0.034 0.000 2.459 96 C HA 0.078 4.538 4.460 0.001 0.000 0.358 96 C C 1.918 176.954 174.990 0.077 0.000 1.162 96 C CA -0.491 58.545 59.018 0.031 0.000 1.559 96 C CB -0.326 27.439 27.740 0.041 0.000 2.132 96 C HN 0.475 nan 8.230 nan 0.000 0.536 97 Q N 2.943 122.783 119.800 0.066 0.000 2.152 97 Q HA -0.241 4.099 4.340 0.001 0.000 0.206 97 Q C 2.022 178.062 176.000 0.068 0.000 0.985 97 Q CA 2.384 58.220 55.803 0.056 0.000 0.863 97 Q CB -0.047 28.719 28.738 0.046 0.000 0.904 97 Q HN 0.917 nan 8.270 nan 0.000 0.422 98 Q N -1.192 118.668 119.800 0.100 0.000 1.993 98 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 98 Q C 2.362 178.409 176.000 0.079 0.000 0.984 98 Q CA 1.945 57.788 55.803 0.067 0.000 0.837 98 Q CB -0.391 28.364 28.738 0.029 0.000 0.902 98 Q HN 0.474 nan 8.270 nan 0.000 0.423 99 C N 0.269 119.674 119.300 0.174 0.000 2.413 99 C HA -0.129 4.332 4.460 0.001 0.000 0.277 99 C C 2.468 177.506 174.990 0.080 0.000 1.265 99 C CA 0.622 59.738 59.018 0.164 0.000 1.752 99 C CB -1.053 26.847 27.740 0.267 0.000 1.998 99 C HN 0.471 nan 8.230 nan 0.000 0.489 100 L N 0.963 122.218 121.223 0.053 0.000 2.093 100 L HA -0.080 4.260 4.340 0.001 0.000 0.208 100 L C 2.231 179.086 176.870 -0.025 0.000 1.085 100 L CA 1.555 56.385 54.840 -0.016 0.000 0.755 100 L CB -0.517 41.532 42.059 -0.016 0.000 0.904 100 L HN 0.475 nan 8.230 nan 0.000 0.435 101 I N -4.101 116.497 120.570 0.046 0.000 3.883 101 I HA 0.043 4.213 4.170 0.001 0.000 0.326 101 I C 1.795 178.036 176.117 0.208 0.000 1.283 101 I CA 0.708 62.079 61.300 0.118 0.000 1.161 101 I CB -0.202 37.847 38.000 0.081 0.000 1.012 101 I HN 0.110 nan 8.210 nan 0.000 0.421 102 T N -2.653 111.993 114.554 0.153 0.000 3.056 102 T HA 0.243 4.594 4.350 0.001 0.000 0.243 102 T C 0.884 175.702 174.700 0.196 0.000 0.995 102 T CA -0.244 61.947 62.100 0.153 0.000 1.091 102 T CB -0.515 68.384 68.868 0.051 0.000 0.990 102 T HN 0.130 nan 8.240 nan 0.000 0.464 103 N N 2.593 121.371 118.700 0.129 0.000 2.395 103 N HA 0.523 5.263 4.740 0.001 0.000 0.246 103 N C -0.024 175.582 175.510 0.161 0.000 1.246 103 N CA 0.193 53.303 53.050 0.101 0.000 0.879 103 N CB 0.596 39.103 38.487 0.034 0.000 1.098 103 N HN 0.668 nan 8.380 nan 0.000 0.444 104 A N 0.651 123.575 122.820 0.174 0.000 2.242 104 A HA 0.463 4.784 4.320 0.001 0.000 0.304 104 A C 0.497 178.110 177.584 0.049 0.000 1.100 104 A CA -0.500 51.696 52.037 0.265 0.000 0.860 104 A CB 0.451 19.599 19.000 0.247 0.000 1.168 104 A HN 0.537 nan 8.150 nan 0.000 0.503 105 S N -0.309 115.416 115.700 0.042 0.000 2.601 105 S HA 0.242 4.712 4.470 0.001 0.000 0.271 105 S C 0.610 175.202 174.600 -0.012 0.000 1.305 105 S CA -0.161 57.989 58.200 -0.083 0.000 1.022 105 S CB 0.101 63.241 63.200 -0.099 0.000 0.940 105 S HN 0.798 nan 8.310 nan 0.000 0.525 106 N N 2.115 120.785 118.700 -0.049 0.000 2.275 106 N HA 0.216 4.957 4.740 0.001 0.000 0.236 106 N C -1.183 174.331 175.510 0.007 0.000 1.154 106 N CA -0.370 52.676 53.050 -0.007 0.000 0.866 106 N CB 0.052 38.531 38.487 -0.015 0.000 1.093 106 N HN 0.254 nan 8.380 nan 0.000 0.515 107 K N 0.647 121.052 120.400 0.009 0.000 2.413 107 K HA 0.640 4.961 4.320 0.001 0.000 0.257 107 K C -0.720 176.013 176.600 0.221 0.000 0.946 107 K CA -0.434 55.902 56.287 0.082 0.000 0.823 107 K CB 2.178 34.671 32.500 -0.012 0.000 1.109 107 K HN 0.255 nan 8.250 nan 0.000 0.427 108 A N 1.849 124.803 122.820 0.224 0.000 2.351 108 A HA 0.423 4.743 4.320 0.001 0.000 0.257 108 A C 0.104 177.860 177.584 0.287 0.000 1.087 108 A CA -0.386 51.784 52.037 0.222 0.000 0.798 108 A CB 0.199 19.278 19.000 0.132 0.000 1.033 108 A HN 0.792 nan 8.150 nan 0.000 0.488 109 S N 1.121 116.937 115.700 0.193 0.000 2.608 109 S HA 0.530 5.000 4.470 0.001 0.000 0.261 109 S C 0.768 175.295 174.600 -0.122 0.000 1.314 109 S CA -0.210 57.950 58.200 -0.065 0.000 0.992 109 S CB 0.493 63.681 63.200 -0.020 0.000 0.935 109 S HN 1.425 nan 8.310 nan 0.000 0.564 110 G N 0.384 109.024 108.800 -0.267 0.000 2.684 110 G HA2 0.457 4.417 3.960 0.001 0.000 0.255 110 G HA3 0.457 4.417 3.960 0.001 0.000 0.255 110 G C -2.747 172.108 174.900 -0.076 0.000 1.219 110 G CA -1.375 43.630 45.100 -0.158 0.000 0.901 110 G HN 0.603 nan 8.290 nan 0.000 0.548 111 P HA 0.117 nan 4.420 nan 0.000 0.266 111 P C 0.684 177.973 177.300 -0.018 0.000 1.195 111 P CA -0.096 62.992 63.100 -0.020 0.000 0.768 111 P CB 0.425 32.116 31.700 -0.015 0.000 0.838 112 I N 0.106 120.677 120.570 0.001 0.000 3.246 112 I HA 0.151 4.321 4.170 0.001 0.000 0.280 112 I C -0.293 175.829 176.117 0.009 0.000 1.239 112 I CA -0.158 61.151 61.300 0.015 0.000 1.336 112 I CB -0.023 37.993 38.000 0.027 0.000 1.383 112 I HN 0.091 nan 8.210 nan 0.000 0.617 113 L N 2.621 123.857 121.223 0.021 0.000 2.331 113 L HA 0.525 4.866 4.340 0.001 0.000 0.275 113 L C -0.149 176.739 176.870 0.029 0.000 1.022 113 L CA -0.865 53.989 54.840 0.023 0.000 0.812 113 L CB 1.321 43.398 42.059 0.030 0.000 1.257 113 L HN 0.571 nan 8.230 nan 0.000 0.435 114 R N 2.133 122.654 120.500 0.035 0.000 2.505 114 R HA 0.359 4.699 4.340 0.001 0.000 0.284 114 R C -2.487 173.905 176.300 0.154 0.000 1.324 114 R CA -2.114 54.011 56.100 0.041 0.000 1.432 114 R CB 0.163 30.422 30.300 -0.068 0.000 1.107 114 R HN 0.282 nan 8.270 nan 0.000 0.587 115 P HA -0.040 nan 4.420 nan 0.000 0.269 115 P C -0.525 176.860 177.300 0.141 0.000 1.211 115 P CA 0.105 63.273 63.100 0.113 0.000 0.781 115 P CB 0.602 32.358 31.700 0.094 0.000 0.877 116 D N 0.522 120.914 120.400 -0.014 0.000 2.339 116 D HA 0.209 4.850 4.640 0.001 0.000 0.245 116 D C 0.305 176.540 176.300 -0.109 0.000 1.115 116 D CA -0.255 53.584 54.000 -0.267 0.000 0.917 116 D CB 0.207 40.847 40.800 -0.266 0.000 1.192 116 D HN 0.168 nan 8.370 nan 0.000 0.428 117 R N 1.436 121.842 120.500 -0.157 0.000 2.570 117 R HA 0.152 4.493 4.340 0.001 0.000 0.277 117 R C -1.996 174.298 176.300 -0.010 0.000 1.039 117 R CA -0.993 55.102 56.100 -0.009 0.000 1.065 117 R CB -0.146 30.155 30.300 0.002 0.000 0.964 117 R HN 0.281 nan 8.270 nan 0.000 0.428 118 P HA -0.116 nan 4.420 nan 0.000 0.267 118 P C 0.071 177.375 177.300 0.006 0.000 1.195 118 P CA 0.222 63.344 63.100 0.036 0.000 0.773 118 P CB 0.595 32.343 31.700 0.079 0.000 0.837 119 Q N 0.602 120.400 119.800 -0.005 0.000 2.123 119 Q HA 0.008 4.349 4.340 0.001 0.000 0.196 119 Q C 0.114 176.107 176.000 -0.011 0.000 0.958 119 Q CA 1.136 56.929 55.803 -0.016 0.000 0.841 119 Q CB 0.180 28.907 28.738 -0.020 0.000 0.915 119 Q HN 0.398 nan 8.270 nan 0.000 0.455 120 K N 0.755 121.156 120.400 0.001 0.000 2.328 120 K HA 0.464 4.785 4.320 0.001 0.000 0.246 120 K C -2.611 173.995 176.600 0.011 0.000 0.955 120 K CA -2.592 53.700 56.287 0.009 0.000 0.817 120 K CB 1.121 33.638 32.500 0.027 0.000 1.208 120 K HN -0.184 nan 8.250 nan 0.000 0.432 121 P HA 0.108 nan 4.420 nan 0.000 0.267 121 P C -0.411 176.885 177.300 -0.006 0.000 1.200 121 P CA 0.089 63.097 63.100 -0.153 0.000 0.772 121 P CB 0.062 31.573 31.700 -0.316 0.000 0.855 122 F N -1.031 118.998 119.950 0.132 0.000 2.794 122 F HA -0.262 4.265 4.527 0.001 0.000 0.335 122 F C 1.256 176.971 175.800 -0.141 0.000 0.653 122 F CA 0.710 58.682 58.000 -0.048 0.000 1.266 122 F CB -2.173 36.761 39.000 -0.111 0.000 1.666 122 F HN 0.276 nan 8.300 nan 0.000 0.314 123 D N 0.606 121.046 120.400 0.066 0.000 2.144 123 D HA -0.038 4.602 4.640 0.001 0.000 0.200 123 D C 1.014 177.295 176.300 -0.032 0.000 0.978 123 D CA 1.778 55.783 54.000 0.008 0.000 0.833 123 D CB 0.114 40.924 40.800 0.016 0.000 0.961 123 D HN 0.448 nan 8.370 nan 0.000 0.470 124 K N -0.411 119.997 120.400 0.012 0.000 2.571 124 K HA 0.172 4.493 4.320 0.001 0.000 0.252 124 K C -1.670 175.045 176.600 0.191 0.000 0.956 124 K CA -0.536 55.734 56.287 -0.029 0.000 0.822 124 K CB 0.964 33.400 32.500 -0.106 0.000 1.286 124 K HN -0.320 nan 8.250 nan 0.000 0.439 125 F N 3.432 123.313 119.950 -0.115 0.000 2.422 125 F HA 0.509 5.036 4.527 0.001 0.000 0.333 125 F C -0.229 175.453 175.800 -0.196 0.000 1.095 125 F CA -1.000 56.983 58.000 -0.028 0.000 1.038 125 F CB 0.858 39.874 39.000 0.027 0.000 1.156 125 F HN 0.337 nan 8.300 nan 0.000 0.483 126 F N 3.875 123.939 119.950 0.189 0.000 2.458 126 F HA 0.589 5.117 4.527 0.001 0.000 0.336 126 F C 0.231 176.041 175.800 0.017 0.000 1.114 126 F CA -0.855 57.203 58.000 0.097 0.000 0.987 126 F CB 1.382 40.412 39.000 0.050 0.000 1.130 126 F HN 0.248 nan 8.300 nan 0.000 0.458 127 I N -0.587 120.042 120.570 0.097 0.000 2.846 127 I HA 0.891 5.062 4.170 0.001 0.000 0.307 127 I C -1.587 174.490 176.117 -0.066 0.000 1.053 127 I CA -0.682 60.568 61.300 -0.083 0.000 1.050 127 I CB 2.453 40.263 38.000 -0.317 0.000 1.239 127 I HN 0.467 nan 8.210 nan 0.000 0.439 128 D N 1.311 121.693 120.400 -0.029 0.000 2.683 128 D HA 0.432 5.072 4.640 0.001 0.000 0.246 128 D C -2.027 174.320 176.300 0.079 0.000 1.238 128 D CA -0.297 53.794 54.000 0.151 0.000 0.759 128 D CB 1.740 42.632 40.800 0.153 0.000 1.349 128 D HN 0.546 nan 8.370 nan 0.000 0.426 129 Y N 0.931 121.387 120.300 0.260 0.000 2.360 129 Y HA 0.568 5.119 4.550 0.001 0.000 0.337 129 Y C 0.114 176.113 175.900 0.164 0.000 1.039 129 Y CA -0.629 57.589 58.100 0.196 0.000 1.109 129 Y CB 1.370 39.904 38.460 0.124 0.000 1.201 129 Y HN 0.236 nan 8.280 nan 0.000 0.458 130 I N 2.633 123.396 120.570 0.322 0.000 2.488 130 I HA 0.688 4.859 4.170 0.001 0.000 0.299 130 I C 0.425 176.678 176.117 0.226 0.000 0.984 130 I CA -0.001 61.407 61.300 0.180 0.000 1.250 130 I CB 1.413 39.430 38.000 0.030 0.000 1.389 130 I HN 0.825 nan 8.210 nan 0.000 0.488 131 G N 5.688 114.524 108.800 0.060 0.000 2.354 131 G HA2 0.028 3.988 3.960 0.001 0.000 0.582 131 G HA3 0.028 3.988 3.960 0.001 0.000 0.582 131 G C -3.201 171.605 174.900 -0.158 0.000 1.316 131 G CA -1.129 43.829 45.100 -0.238 0.000 0.995 131 G HN 0.393 nan 8.290 nan 0.000 0.573 132 P HA 0.616 nan 4.420 nan 0.000 0.274 132 P C 0.123 177.193 177.300 -0.384 0.000 1.231 132 P CA -0.442 62.182 63.100 -0.794 0.000 0.790 132 P CB 0.696 32.130 31.700 -0.443 0.000 0.951 133 L N 2.187 123.217 121.223 -0.322 0.000 2.421 133 L HA 0.554 4.894 4.340 0.001 0.000 0.267 133 L C -2.127 174.774 176.870 0.052 0.000 1.036 133 L CA -2.492 52.252 54.840 -0.160 0.000 0.829 133 L CB 0.500 42.339 42.059 -0.367 0.000 1.437 133 L HN 0.153 nan 8.230 nan 0.000 0.488 134 P HA 0.133 nan 4.420 nan 0.000 0.268 134 P C -2.529 174.996 177.300 0.374 0.000 1.205 134 P CA -0.824 62.414 63.100 0.230 0.000 0.771 134 P CB -0.165 31.675 31.700 0.234 0.000 0.858 135 P HA 0.087 nan 4.420 nan 0.000 0.271 135 P C -0.380 176.939 177.300 0.032 0.000 1.233 135 P CA 0.482 63.672 63.100 0.150 0.000 0.764 135 P CB 0.431 32.174 31.700 0.071 0.000 0.825 136 S N 3.034 118.645 115.700 -0.149 0.000 2.473 136 S HA 0.154 4.624 4.470 0.001 0.000 0.307 136 S C 0.198 174.640 174.600 -0.265 0.000 1.094 136 S CA -0.316 57.659 58.200 -0.374 0.000 1.070 136 S CB 0.136 62.801 63.200 -0.892 0.000 1.019 136 S HN 0.425 nan 8.310 nan 0.000 0.480 137 Q N 2.201 121.862 119.800 -0.230 0.000 2.450 137 Q HA -0.255 4.085 4.340 0.001 0.000 0.255 137 Q C 0.915 176.885 176.000 -0.049 0.000 1.003 137 Q CA 1.365 57.034 55.803 -0.223 0.000 1.097 137 Q CB -2.128 26.256 28.738 -0.591 0.000 1.544 137 Q HN 1.656 nan 8.270 nan 0.000 0.531 138 G N -1.657 107.122 108.800 -0.035 0.000 2.175 138 G HA2 -0.333 3.627 3.960 0.001 0.000 0.244 138 G HA3 -0.333 3.627 3.960 0.001 0.000 0.244 138 G C -0.201 174.644 174.900 -0.091 0.000 0.982 138 G CA 0.312 45.369 45.100 -0.071 0.000 0.641 138 G HN 0.349 nan 8.290 nan 0.000 0.527 139 Y N -0.965 119.343 120.300 0.013 0.000 2.387 139 Y HA 0.700 5.251 4.550 0.001 0.000 0.330 139 Y C 1.447 177.541 175.900 0.323 0.000 1.133 139 Y CA -0.593 57.617 58.100 0.183 0.000 1.152 139 Y CB 1.495 40.106 38.460 0.252 0.000 1.215 139 Y HN -0.029 nan 8.280 nan 0.000 0.466 140 L N 0.684 122.234 121.223 0.544 0.000 2.806 140 L HA 0.257 4.598 4.340 0.001 0.000 0.242 140 L C -0.911 176.045 176.870 0.145 0.000 1.068 140 L CA -0.031 55.017 54.840 0.347 0.000 0.923 140 L CB 0.552 42.691 42.059 0.133 0.000 1.364 140 L HN 0.541 nan 8.230 nan 0.000 0.511 141 Y N -0.819 119.697 120.300 0.360 0.000 2.562 141 Y HA 0.600 5.150 4.550 0.000 0.000 0.343 141 Y C -0.270 175.834 175.900 0.339 0.000 1.025 141 Y CA -1.159 57.095 58.100 0.256 0.000 1.082 141 Y CB 2.065 40.642 38.460 0.194 0.000 1.264 141 Y HN -0.453 nan 8.280 nan 0.000 0.478 142 V N 3.180 123.324 119.914 0.383 0.000 2.495 142 V HA 0.304 4.424 4.120 0.001 0.000 0.298 142 V C -0.907 175.345 176.094 0.264 0.000 1.031 142 V CA -0.800 61.671 62.300 0.284 0.000 0.871 142 V CB 1.726 33.581 31.823 0.053 0.000 0.988 142 V HN 0.503 nan 8.190 nan 0.000 0.432 143 L N 6.794 128.118 121.223 0.169 0.000 2.265 143 L HA 0.588 4.929 4.340 0.001 0.000 0.288 143 L C -0.395 176.488 176.870 0.022 0.000 1.058 143 L CA 0.365 55.097 54.840 -0.180 0.000 0.809 143 L CB 1.292 43.204 42.059 -0.245 0.000 1.179 143 L HN 0.454 nan 8.230 nan 0.000 0.429 144 V N 6.168 126.057 119.914 -0.040 0.000 2.398 144 V HA 0.495 4.615 4.120 0.001 0.000 0.286 144 V C -0.336 175.777 176.094 0.032 0.000 1.026 144 V CA -0.649 61.667 62.300 0.025 0.000 0.868 144 V CB 1.667 33.491 31.823 0.001 0.000 0.982 144 V HN 0.520 nan 8.190 nan 0.000 0.443 145 V N 5.779 125.758 119.914 0.109 0.000 2.409 145 V HA 0.532 4.652 4.120 0.001 0.000 0.291 145 V C -0.276 175.870 176.094 0.088 0.000 1.020 145 V CA -0.571 61.778 62.300 0.081 0.000 0.848 145 V CB 1.864 33.748 31.823 0.103 0.000 0.990 145 V HN 0.607 nan 8.190 nan 0.000 0.430 146 V N 3.137 123.080 119.914 0.050 0.000 2.495 146 V HA 0.371 4.492 4.120 0.001 0.000 0.298 146 V C -0.299 175.848 176.094 0.088 0.000 1.031 146 V CA -0.722 61.609 62.300 0.053 0.000 0.871 146 V CB 2.018 33.867 31.823 0.045 0.000 0.988 146 V HN 0.974 nan 8.190 nan 0.000 0.432 147 D N 3.524 123.973 120.400 0.081 0.000 2.343 147 D HA 0.315 4.956 4.640 0.001 0.000 0.255 147 D C 1.400 177.827 176.300 0.212 0.000 1.187 147 D CA 0.639 54.746 54.000 0.179 0.000 0.875 147 D CB 1.714 42.591 40.800 0.130 0.000 1.136 147 D HN 0.605 nan 8.370 nan 0.000 0.469 148 G N 4.017 113.032 108.800 0.358 0.000 2.469 148 G HA2 -0.312 3.648 3.960 0.001 0.000 0.219 148 G HA3 -0.312 3.648 3.960 0.001 0.000 0.219 148 G C 1.289 176.295 174.900 0.177 0.000 1.150 148 G CA 0.589 45.914 45.100 0.374 0.000 0.763 148 G HN 0.537 nan 8.290 nan 0.000 0.561 149 M N 1.346 121.016 119.600 0.116 0.000 2.073 149 M HA -0.069 4.411 4.480 0.001 0.000 0.259 149 M C 2.818 179.128 176.300 0.017 0.000 1.079 149 M CA 2.390 57.718 55.300 0.046 0.000 1.131 149 M CB -1.048 31.554 32.600 0.003 0.000 1.316 149 M HN 0.378 nan 8.290 nan 0.000 0.415 150 T N -2.863 111.682 114.554 -0.014 0.000 3.014 150 T HA 0.215 4.566 4.350 0.001 0.000 0.263 150 T C 1.481 176.182 174.700 0.002 0.000 1.078 150 T CA 1.107 63.190 62.100 -0.029 0.000 1.135 150 T CB -0.363 68.455 68.868 -0.084 0.000 0.895 150 T HN 0.689 nan 8.240 nan 0.000 0.480 151 G N 0.902 109.708 108.800 0.010 0.000 2.179 151 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 151 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 151 G C -0.063 174.796 174.900 -0.068 0.000 0.977 151 G CA -0.027 45.060 45.100 -0.021 0.000 0.641 151 G HN 0.640 nan 8.290 nan 0.000 0.533 152 F N 2.068 121.879 119.950 -0.232 0.000 2.563 152 F HA 0.498 5.025 4.527 0.001 0.000 0.363 152 F C 0.767 176.264 175.800 -0.506 0.000 1.123 152 F CA 1.306 59.063 58.000 -0.406 0.000 1.307 152 F CB 0.920 39.594 39.000 -0.542 0.000 1.115 152 F HN 0.013 nan 8.300 nan 0.000 0.592 153 T N 5.833 119.873 114.554 -0.857 0.000 2.861 153 T HA 0.273 4.623 4.350 0.001 0.000 0.287 153 T C -1.225 173.108 174.700 -0.612 0.000 1.003 153 T CA -0.443 61.347 62.100 -0.516 0.000 0.977 153 T CB 0.864 69.524 68.868 -0.346 0.000 0.996 153 T HN 0.442 nan 8.240 nan 0.000 0.448 154 W N 3.734 124.983 121.300 -0.084 0.000 2.573 154 W HA 0.621 5.282 4.660 0.001 0.000 0.326 154 W C -0.955 175.472 176.519 -0.153 0.000 1.049 154 W CA -0.842 56.451 57.345 -0.087 0.000 1.220 154 W CB 1.338 30.866 29.460 0.113 0.000 1.373 154 W HN 0.311 nan 8.180 nan 0.000 0.507 155 L N 3.140 124.259 121.223 -0.173 0.000 2.346 155 L HA 0.547 4.887 4.340 0.001 0.000 0.274 155 L C -1.411 175.184 176.870 -0.458 0.000 1.007 155 L CA -1.101 53.633 54.840 -0.176 0.000 0.818 155 L CB 1.671 43.647 42.059 -0.138 0.000 1.284 155 L HN 0.284 nan 8.230 nan 0.000 0.424 156 Y N 1.972 122.319 120.300 0.079 0.000 2.332 156 Y HA 0.342 4.892 4.550 0.001 0.000 0.325 156 Y C -2.440 173.553 175.900 0.154 0.000 1.054 156 Y CA -2.269 55.887 58.100 0.094 0.000 1.119 156 Y CB 1.951 40.474 38.460 0.105 0.000 1.168 156 Y HN 0.368 nan 8.280 nan 0.000 0.439 157 P HA 0.189 nan 4.420 nan 0.000 0.276 157 P C -0.227 177.417 177.300 0.573 0.000 1.235 157 P CA -0.068 63.236 63.100 0.341 0.000 0.772 157 P CB 1.051 32.694 31.700 -0.096 0.000 0.871 158 T N -0.811 114.174 114.554 0.719 0.000 2.906 158 T HA 0.410 4.761 4.350 0.001 0.000 0.295 158 T C 0.639 175.662 174.700 0.538 0.000 1.075 158 T CA -0.829 61.649 62.100 0.630 0.000 1.005 158 T CB 1.731 70.874 68.868 0.459 0.000 1.136 158 T HN 0.162 nan 8.240 nan 0.000 0.498 159 K N 0.369 120.907 120.400 0.231 0.000 2.361 159 K HA 0.516 4.836 4.320 0.001 0.000 0.196 159 K C 0.687 177.382 176.600 0.158 0.000 1.039 159 K CA 0.321 56.671 56.287 0.104 0.000 1.001 159 K CB 0.422 32.852 32.500 -0.116 0.000 0.795 159 K HN 0.771 nan 8.250 nan 0.000 0.495 160 A N 1.559 124.388 122.820 0.016 0.000 2.604 160 A HA 0.381 4.702 4.320 0.001 0.000 0.295 160 A C -2.815 174.368 177.584 -0.668 0.000 1.067 160 A CA -1.290 50.574 52.037 -0.289 0.000 0.683 160 A CB 1.202 20.076 19.000 -0.210 0.000 1.281 160 A HN -0.173 nan 8.150 nan 0.000 0.407 161 P HA 0.190 nan 4.420 nan 0.000 0.225 161 P C -0.191 176.526 177.300 -0.971 0.000 1.813 161 P CA 0.256 62.411 63.100 -1.573 0.000 1.013 161 P CB -0.298 30.517 31.700 -1.475 0.000 1.961 162 S N -0.775 114.559 115.700 -0.609 0.000 2.578 162 S HA 0.384 4.855 4.470 0.001 0.000 0.301 162 S C 1.269 175.739 174.600 -0.218 0.000 1.091 162 S CA -0.389 57.605 58.200 -0.344 0.000 1.032 162 S CB 0.841 63.904 63.200 -0.229 0.000 1.064 162 S HN 0.066 nan 8.310 nan 0.000 0.508 163 T N 2.307 116.752 114.554 -0.181 0.000 2.665 163 T HA -0.188 4.163 4.350 0.001 0.000 0.268 163 T C 2.274 176.933 174.700 -0.068 0.000 1.035 163 T CA 2.237 64.268 62.100 -0.115 0.000 1.151 163 T CB -0.926 67.921 68.868 -0.036 0.000 0.862 163 T HN 0.922 nan 8.240 nan 0.000 0.438 164 S N 2.385 118.052 115.700 -0.054 0.000 2.359 164 S HA -0.097 4.374 4.470 0.001 0.000 0.224 164 S C 2.440 177.021 174.600 -0.032 0.000 1.035 164 S CA 1.215 59.396 58.200 -0.032 0.000 1.018 164 S CB -0.831 62.355 63.200 -0.023 0.000 0.876 164 S HN 0.540 nan 8.310 nan 0.000 0.448 165 A N 1.525 124.333 122.820 -0.021 0.000 1.969 165 A HA 0.022 4.342 4.320 0.001 0.000 0.218 165 A C 2.405 180.008 177.584 0.033 0.000 1.169 165 A CA 1.909 53.964 52.037 0.030 0.000 0.635 165 A CB -1.551 17.488 19.000 0.065 0.000 0.810 165 A HN 0.625 nan 8.150 nan 0.000 0.445 166 T N -0.315 114.253 114.554 0.024 0.000 2.746 166 T HA -0.114 4.237 4.350 0.001 0.000 0.267 166 T C 1.868 176.442 174.700 -0.211 0.000 1.039 166 T CA 1.530 63.616 62.100 -0.023 0.000 1.142 166 T CB -0.436 68.409 68.868 -0.040 0.000 0.866 166 T HN 0.158 nan 8.240 nan 0.000 0.444 167 V N 1.720 121.482 119.914 -0.254 0.000 2.295 167 V HA -0.204 3.917 4.120 0.001 0.000 0.246 167 V C 2.519 178.451 176.094 -0.271 0.000 1.049 167 V CA 1.574 63.590 62.300 -0.473 0.000 1.024 167 V CB -0.519 31.085 31.823 -0.365 0.000 0.648 167 V HN 0.484 nan 8.190 nan 0.000 0.447 168 K N 0.112 120.439 120.400 -0.120 0.000 2.020 168 K HA -0.204 4.117 4.320 0.001 0.000 0.212 168 K C 2.424 178.974 176.600 -0.084 0.000 1.050 168 K CA 2.004 58.266 56.287 -0.042 0.000 0.929 168 K CB -0.515 31.994 32.500 0.016 0.000 0.714 168 K HN 0.386 nan 8.250 nan 0.000 0.443 169 S N 1.546 117.147 115.700 -0.166 0.000 2.353 169 S HA -0.121 4.349 4.470 0.001 0.000 0.222 169 S C 2.022 176.316 174.600 -0.510 0.000 1.035 169 S CA 1.212 59.151 58.200 -0.434 0.000 1.025 169 S CB -0.311 62.553 63.200 -0.560 0.000 0.902 169 S HN 0.207 nan 8.310 nan 0.000 0.440 170 L N 1.642 122.653 121.223 -0.354 0.000 2.141 170 L HA -0.120 4.221 4.340 0.001 0.000 0.209 170 L C 2.144 179.051 176.870 0.062 0.000 1.094 170 L CA 0.756 55.491 54.840 -0.174 0.000 0.763 170 L CB -0.727 41.224 42.059 -0.179 0.000 0.908 170 L HN 0.279 nan 8.230 nan 0.000 0.437 171 N N -0.084 118.671 118.700 0.093 0.000 2.104 171 N HA -0.167 4.573 4.740 0.001 0.000 0.190 171 N C 1.875 177.444 175.510 0.098 0.000 1.024 171 N CA 1.218 54.379 53.050 0.185 0.000 0.853 171 N CB -0.490 38.099 38.487 0.171 0.000 1.008 171 N HN 0.110 nan 8.380 nan 0.000 0.424 172 V N 1.344 121.285 119.914 0.045 0.000 2.261 172 V HA -0.187 3.934 4.120 0.001 0.000 0.246 172 V C 2.372 178.511 176.094 0.075 0.000 1.047 172 V CA 1.160 63.508 62.300 0.081 0.000 1.015 172 V CB -0.576 31.330 31.823 0.139 0.000 0.642 172 V HN 0.210 nan 8.190 nan 0.000 0.446 173 L N 1.159 122.389 121.223 0.011 0.000 2.012 173 L HA -0.164 4.176 4.340 0.001 0.000 0.210 173 L C 2.583 179.430 176.870 -0.038 0.000 1.073 173 L CA 2.899 57.700 54.840 -0.066 0.000 0.748 173 L CB -1.338 40.613 42.059 -0.180 0.000 0.891 173 L HN 0.594 nan 8.230 nan 0.000 0.431 174 T N -3.944 110.631 114.554 0.034 0.000 3.163 174 T HA -0.032 4.319 4.350 0.001 0.000 0.260 174 T C 1.862 176.550 174.700 -0.019 0.000 1.156 174 T CA 0.910 63.018 62.100 0.012 0.000 1.072 174 T CB -0.602 68.293 68.868 0.045 0.000 0.937 174 T HN 0.307 nan 8.240 nan 0.000 0.528 175 S N 1.246 116.954 115.700 0.015 0.000 2.399 175 S HA 0.003 4.474 4.470 0.001 0.000 0.231 175 S C 1.685 176.284 174.600 -0.002 0.000 1.022 175 S CA 0.801 59.009 58.200 0.014 0.000 0.983 175 S CB -0.333 62.897 63.200 0.049 0.000 0.803 175 S HN 0.404 nan 8.310 nan 0.000 0.480 176 I N 0.789 121.362 120.570 0.004 0.000 2.235 176 I HA 0.179 4.350 4.170 0.001 0.000 0.241 176 I C 0.939 176.978 176.117 -0.129 0.000 1.085 176 I CA 0.800 62.107 61.300 0.012 0.000 1.378 176 I CB -0.290 37.792 38.000 0.136 0.000 1.076 176 I HN 0.252 nan 8.210 nan 0.000 0.415 177 A N -0.691 121.987 122.820 -0.237 0.000 2.599 177 A HA 0.691 5.012 4.320 0.001 0.000 0.290 177 A C -1.288 176.061 177.584 -0.393 0.000 1.101 177 A CA -0.506 51.230 52.037 -0.503 0.000 0.674 177 A CB 0.885 19.126 19.000 -1.265 0.000 1.277 177 A HN -0.020 nan 8.150 nan 0.000 0.419 178 I N 2.230 122.557 120.570 -0.404 0.000 2.404 178 I HA 0.408 4.578 4.170 0.001 0.000 0.293 178 I C -2.076 173.831 176.117 -0.351 0.000 0.992 178 I CA -1.937 59.173 61.300 -0.317 0.000 1.149 178 I CB 2.220 40.063 38.000 -0.262 0.000 1.315 178 I HN 0.507 nan 8.210 nan 0.000 0.446 179 P HA 0.284 nan 4.420 nan 0.000 0.279 179 P C -0.207 176.914 177.300 -0.298 0.000 1.252 179 P CA -0.552 62.261 63.100 -0.479 0.000 0.811 179 P CB 1.623 32.709 31.700 -1.024 0.000 1.035 180 K N -0.151 120.125 120.400 -0.207 0.000 2.062 180 K HA 0.091 4.412 4.320 0.001 0.000 0.205 180 K C 0.286 176.812 176.600 -0.123 0.000 1.051 180 K CA 1.066 57.269 56.287 -0.141 0.000 0.941 180 K CB 0.042 32.486 32.500 -0.092 0.000 0.719 180 K HN 0.266 nan 8.250 nan 0.000 0.440 181 V N 1.397 121.226 119.914 -0.141 0.000 2.760 181 V HA 0.356 4.476 4.120 0.001 0.000 0.309 181 V C -0.845 175.159 176.094 -0.150 0.000 1.077 181 V CA -0.818 61.419 62.300 -0.106 0.000 0.910 181 V CB 2.197 33.992 31.823 -0.047 0.000 1.008 181 V HN 0.056 nan 8.190 nan 0.000 0.424 182 I N 3.106 123.584 120.570 -0.154 0.000 2.389 182 I HA 0.429 4.600 4.170 0.001 0.000 0.288 182 I C -0.573 175.404 176.117 -0.232 0.000 0.999 182 I CA -0.428 60.799 61.300 -0.121 0.000 1.129 182 I CB 1.470 39.461 38.000 -0.016 0.000 1.288 182 I HN 0.749 nan 8.210 nan 0.000 0.444 183 H N 5.512 124.362 119.070 -0.366 0.000 2.467 183 H HA 0.634 5.191 4.556 0.001 0.000 0.326 183 H C -0.495 174.713 175.328 -0.199 0.000 1.094 183 H CA -0.216 55.626 56.048 -0.344 0.000 1.253 183 H CB 1.099 30.581 29.762 -0.466 0.000 1.439 183 H HN 0.640 nan 8.280 nan 0.000 0.479 184 S N 2.701 118.170 115.700 -0.384 0.000 2.618 184 S HA 0.307 4.778 4.470 0.001 0.000 0.277 184 S C -1.065 173.589 174.600 0.090 0.000 1.138 184 S CA -1.103 57.024 58.200 -0.121 0.000 0.844 184 S CB 1.560 64.541 63.200 -0.365 0.000 1.127 184 S HN 0.755 nan 8.310 nan 0.000 0.474 185 D N 0.182 120.767 120.400 0.308 0.000 2.377 185 D HA 0.170 4.810 4.640 0.001 0.000 0.245 185 D C 0.295 176.828 176.300 0.388 0.000 1.196 185 D CA -0.532 53.657 54.000 0.314 0.000 0.962 185 D CB 0.067 41.015 40.800 0.246 0.000 1.127 185 D HN 0.624 nan 8.370 nan 0.000 0.471 186 Q N -0.232 119.697 119.800 0.215 0.000 2.265 186 Q HA 0.183 4.523 4.340 0.001 0.000 0.217 186 Q C 0.595 176.604 176.000 0.015 0.000 0.916 186 Q CA -0.230 55.643 55.803 0.117 0.000 0.948 186 Q CB 0.042 28.764 28.738 -0.027 0.000 1.020 186 Q HN 0.574 nan 8.270 nan 0.000 0.462 187 G N 0.216 109.034 108.800 0.029 0.000 2.414 187 G HA2 0.137 4.098 3.960 0.001 0.000 0.236 187 G HA3 0.137 4.098 3.960 0.001 0.000 0.236 187 G C 1.033 175.779 174.900 -0.257 0.000 1.293 187 G CA 0.204 45.209 45.100 -0.158 0.000 0.869 187 G HN 0.335 nan 8.290 nan 0.000 0.556 188 A N 2.335 125.004 122.820 -0.250 0.000 1.997 188 A HA -0.056 4.264 4.320 0.001 0.000 0.221 188 A C 2.745 180.164 177.584 -0.275 0.000 1.172 188 A CA 2.733 54.640 52.037 -0.218 0.000 0.645 188 A CB -0.609 18.274 19.000 -0.195 0.000 0.813 188 A HN 1.456 nan 8.150 nan 0.000 0.454 189 A N -1.562 120.954 122.820 -0.508 0.000 1.969 189 A HA 0.145 4.465 4.320 0.001 0.000 0.218 189 A C 1.659 178.971 177.584 -0.453 0.000 1.169 189 A CA 1.501 53.196 52.037 -0.571 0.000 0.635 189 A CB -0.497 18.012 19.000 -0.819 0.000 0.810 189 A HN 0.529 nan 8.150 nan 0.000 0.445 190 F N -0.271 119.597 119.950 -0.136 0.000 2.717 190 F HA 0.097 4.625 4.527 0.001 0.000 0.295 190 F C 2.345 178.359 175.800 0.357 0.000 1.117 190 F CA 0.964 58.900 58.000 -0.107 0.000 1.361 190 F CB -0.895 38.101 39.000 -0.007 0.000 1.112 190 F HN 0.217 nan 8.300 nan 0.000 0.594 191 T N -2.346 112.387 114.554 0.299 0.000 3.054 191 T HA 0.026 4.377 4.350 0.001 0.000 0.259 191 T C 1.173 175.950 174.700 0.128 0.000 1.092 191 T CA 0.397 62.580 62.100 0.138 0.000 1.121 191 T CB -0.805 68.006 68.868 -0.095 0.000 0.912 191 T HN 0.172 nan 8.240 nan 0.000 0.489 192 S N 2.454 118.229 115.700 0.125 0.000 2.550 192 S HA 0.030 4.501 4.470 0.001 0.000 0.285 192 S C 1.636 176.337 174.600 0.169 0.000 1.326 192 S CA 0.003 58.267 58.200 0.107 0.000 1.037 192 S CB 0.688 63.937 63.200 0.080 0.000 0.838 192 S HN 0.553 nan 8.310 nan 0.000 0.519 193 S N 2.007 117.774 115.700 0.111 0.000 2.402 193 S HA -0.122 4.349 4.470 0.001 0.000 0.229 193 S C 1.715 176.399 174.600 0.140 0.000 1.021 193 S CA 1.169 59.435 58.200 0.110 0.000 0.974 193 S CB -1.505 61.734 63.200 0.065 0.000 0.800 193 S HN 0.850 nan 8.310 nan 0.000 0.484 194 T N 1.759 116.403 114.554 0.149 0.000 2.746 194 T HA -0.020 4.330 4.350 0.001 0.000 0.267 194 T C 1.301 176.158 174.700 0.261 0.000 1.039 194 T CA 1.411 63.612 62.100 0.167 0.000 1.142 194 T CB -0.569 68.380 68.868 0.135 0.000 0.866 194 T HN 0.422 nan 8.240 nan 0.000 0.444 195 F N 2.362 122.393 119.950 0.136 0.000 2.084 195 F HA 0.104 4.632 4.527 0.000 0.000 0.296 195 F C 2.570 178.533 175.800 0.271 0.000 1.111 195 F CA 0.688 58.806 58.000 0.195 0.000 1.224 195 F CB -1.020 38.088 39.000 0.180 0.000 0.991 195 F HN 0.151 nan 8.300 nan 0.000 0.471 196 A N -0.017 122.932 122.820 0.215 0.000 1.971 196 A HA -0.282 4.039 4.320 0.001 0.000 0.222 196 A C 2.148 179.741 177.584 0.015 0.000 1.182 196 A CA 2.319 54.411 52.037 0.093 0.000 0.649 196 A CB -0.901 18.189 19.000 0.150 0.000 0.818 196 A HN 0.617 nan 8.150 nan 0.000 0.458 197 E N -2.216 118.022 120.200 0.062 0.000 2.060 197 E HA -0.165 4.185 4.350 0.001 0.000 0.189 197 E C 1.780 178.386 176.600 0.009 0.000 0.974 197 E CA 0.837 57.256 56.400 0.031 0.000 0.808 197 E CB -0.313 29.422 29.700 0.057 0.000 0.768 197 E HN 0.848 nan 8.360 nan 0.000 0.453 198 W N 2.169 123.402 121.300 -0.112 0.000 2.290 198 W HA -0.335 4.326 4.660 0.001 0.000 0.311 198 W C 2.274 178.661 176.519 -0.220 0.000 1.238 198 W CA 2.659 59.922 57.345 -0.136 0.000 1.255 198 W CB -0.274 29.119 29.460 -0.110 0.000 1.145 198 W HN 0.043 nan 8.180 nan 0.000 0.506 199 A N -0.071 122.621 122.820 -0.213 0.000 1.929 199 A HA -0.159 4.161 4.320 0.001 0.000 0.216 199 A C 2.066 179.426 177.584 -0.374 0.000 1.176 199 A CA 1.770 53.546 52.037 -0.435 0.000 0.628 199 A CB -0.849 17.950 19.000 -0.334 0.000 0.816 199 A HN 0.384 nan 8.150 nan 0.000 0.444 200 K N -0.296 119.966 120.400 -0.229 0.000 2.097 200 K HA -0.138 4.182 4.320 0.001 0.000 0.205 200 K C 1.846 178.324 176.600 -0.203 0.000 1.050 200 K CA 1.353 57.538 56.287 -0.169 0.000 0.938 200 K CB -0.149 32.297 32.500 -0.090 0.000 0.718 200 K HN 0.571 nan 8.250 nan 0.000 0.442 201 E N 0.025 120.084 120.200 -0.236 0.000 2.187 201 E HA -0.203 4.147 4.350 0.001 0.000 0.199 201 E C 1.443 177.862 176.600 -0.301 0.000 1.004 201 E CA 1.325 57.579 56.400 -0.244 0.000 0.813 201 E CB 0.153 29.696 29.700 -0.261 0.000 0.736 201 E HN 0.238 nan 8.360 nan 0.000 0.468 202 R N -1.313 118.934 120.500 -0.421 0.000 2.397 202 R HA 0.160 4.501 4.340 0.001 0.000 0.241 202 R C 0.749 176.865 176.300 -0.308 0.000 0.914 202 R CA 0.473 56.324 56.100 -0.415 0.000 1.071 202 R CB 1.049 30.968 30.300 -0.634 0.000 1.116 202 R HN 0.149 nan 8.270 nan 0.000 0.524 203 G N 2.386 111.035 108.800 -0.251 0.000 2.246 203 G HA2 -0.257 3.704 3.960 0.001 0.000 0.273 203 G HA3 -0.257 3.704 3.960 0.001 0.000 0.273 203 G C -0.028 174.765 174.900 -0.179 0.000 1.055 203 G CA 0.006 44.998 45.100 -0.180 0.000 0.851 203 G HN 0.265 nan 8.290 nan 0.000 0.500 204 I N 0.630 121.069 120.570 -0.218 0.000 2.362 204 I HA 0.263 4.433 4.170 0.001 0.000 0.289 204 I C 0.716 176.763 176.117 -0.117 0.000 0.994 204 I CA -0.982 60.203 61.300 -0.191 0.000 1.158 204 I CB 1.369 39.208 38.000 -0.268 0.000 1.315 204 I HN 0.214 nan 8.210 nan 0.000 0.451 205 H N 7.296 126.272 119.070 -0.157 0.000 2.767 205 H HA 0.321 4.878 4.556 0.001 0.000 0.316 205 H C -0.939 174.300 175.328 -0.148 0.000 1.059 205 H CA -0.382 55.590 56.048 -0.126 0.000 1.461 205 H CB 0.993 30.696 29.762 -0.098 0.000 1.475 205 H HN 0.480 nan 8.280 nan 0.000 0.531 206 L N 4.728 125.589 121.223 -0.604 0.000 2.350 206 L HA 0.249 4.589 4.340 0.001 0.000 0.275 206 L C 0.297 176.651 176.870 -0.860 0.000 1.099 206 L CA 0.008 54.477 54.840 -0.618 0.000 0.808 206 L CB 1.240 43.056 42.059 -0.405 0.000 1.149 206 L HN 0.685 nan 8.230 nan 0.000 0.442 207 E N 2.937 122.653 120.200 -0.807 0.000 2.308 207 E HA 0.487 4.838 4.350 0.001 0.000 0.275 207 E C -1.899 174.206 176.600 -0.825 0.000 0.890 207 E CA -0.570 55.498 56.400 -0.553 0.000 0.754 207 E CB 1.784 31.367 29.700 -0.194 0.000 1.207 207 E HN 0.309 nan 8.360 nan 0.000 0.426 208 F N 1.431 121.217 119.950 -0.273 0.000 2.532 208 F HA 0.357 4.884 4.527 0.001 0.000 0.321 208 F C 0.443 176.112 175.800 -0.219 0.000 1.089 208 F CA -0.833 56.983 58.000 -0.307 0.000 0.926 208 F CB 2.152 41.093 39.000 -0.098 0.000 1.168 208 F HN 0.369 nan 8.300 nan 0.000 0.459 209 S N -0.482 115.221 115.700 0.006 0.000 2.603 209 S HA 0.366 4.836 4.470 0.001 0.000 0.268 209 S C 0.052 174.777 174.600 0.209 0.000 1.317 209 S CA -0.901 57.458 58.200 0.266 0.000 1.012 209 S CB 0.663 64.147 63.200 0.473 0.000 0.926 209 S HN 0.724 nan 8.310 nan 0.000 0.539 210 T N -0.487 114.172 114.554 0.176 0.000 2.906 210 T HA 0.260 4.610 4.350 0.001 0.000 0.320 210 T C -2.738 172.058 174.700 0.159 0.000 1.088 210 T CA -1.160 61.015 62.100 0.124 0.000 1.120 210 T CB -0.889 68.006 68.868 0.045 0.000 1.000 210 T HN 0.403 nan 8.240 nan 0.000 0.550 211 P HA 0.114 nan 4.420 nan 0.000 0.265 211 P C -0.471 177.006 177.300 0.295 0.000 1.193 211 P CA -0.013 63.175 63.100 0.147 0.000 0.765 211 P CB -0.318 31.506 31.700 0.207 0.000 0.823 212 Y N 0.395 120.786 120.300 0.151 0.000 3.027 212 Y HA -0.259 4.292 4.550 0.001 0.000 0.195 212 Y C 0.514 176.544 175.900 0.217 0.000 1.381 212 Y CA 0.957 59.145 58.100 0.148 0.000 1.015 212 Y CB -2.241 36.285 38.460 0.109 0.000 1.329 212 Y HN 0.560 nan 8.280 nan 0.000 0.462 213 H N -0.002 119.178 119.070 0.183 0.000 2.661 213 H HA 0.184 4.740 4.556 0.001 0.000 0.243 213 H C -2.314 173.097 175.328 0.138 0.000 1.410 213 H CA -1.531 54.612 56.048 0.158 0.000 1.509 213 H CB 1.406 31.263 29.762 0.159 0.000 1.761 213 H HN 0.042 nan 8.280 nan 0.000 0.576 214 P HA -0.131 nan 4.420 nan 0.000 0.220 214 P C 1.342 178.667 177.300 0.042 0.000 1.148 214 P CA 1.049 64.194 63.100 0.075 0.000 0.803 214 P CB 0.291 32.017 31.700 0.043 0.000 0.782 215 Q N -0.737 119.009 119.800 -0.089 0.000 2.308 215 Q HA -0.136 4.204 4.340 0.001 0.000 0.209 215 Q C 1.934 177.971 176.000 0.061 0.000 0.985 215 Q CA 1.481 57.239 55.803 -0.076 0.000 0.881 215 Q CB -0.773 27.837 28.738 -0.213 0.000 0.917 215 Q HN 0.293 nan 8.270 nan 0.000 0.443 216 S N 0.724 116.557 115.700 0.222 0.000 2.357 216 S HA -0.056 4.415 4.470 0.001 0.000 0.221 216 S C 1.759 176.446 174.600 0.146 0.000 1.031 216 S CA 0.755 59.108 58.200 0.256 0.000 0.982 216 S CB -0.025 63.421 63.200 0.410 0.000 0.853 216 S HN 0.219 nan 8.310 nan 0.000 0.458 217 S N 1.345 117.186 115.700 0.235 0.000 2.881 217 S HA 0.134 4.605 4.470 0.001 0.000 0.228 217 S C 1.733 176.322 174.600 -0.019 0.000 0.965 217 S CA 0.169 58.495 58.200 0.210 0.000 0.998 217 S CB -0.533 62.849 63.200 0.304 0.000 0.795 217 S HN 0.630 nan 8.310 nan 0.000 0.518 218 G N 1.691 110.431 108.800 -0.099 0.000 2.448 218 G HA2 -0.232 3.729 3.960 0.001 0.000 0.219 218 G HA3 -0.232 3.729 3.960 0.001 0.000 0.219 218 G C 1.372 176.139 174.900 -0.222 0.000 1.127 218 G CA 0.721 45.744 45.100 -0.129 0.000 0.766 218 G HN 0.473 nan 8.290 nan 0.000 0.552 219 K N -0.113 120.019 120.400 -0.448 0.000 2.097 219 K HA -0.001 4.319 4.320 0.001 0.000 0.205 219 K C 2.487 178.907 176.600 -0.300 0.000 1.050 219 K CA 1.075 57.069 56.287 -0.489 0.000 0.938 219 K CB -0.050 31.882 32.500 -0.947 0.000 0.718 219 K HN 0.218 nan 8.250 nan 0.000 0.442 220 V N 1.103 120.883 119.914 -0.223 0.000 2.407 220 V HA -0.134 3.986 4.120 0.001 0.000 0.245 220 V C 2.058 178.124 176.094 -0.047 0.000 1.041 220 V CA 1.375 63.639 62.300 -0.060 0.000 1.040 220 V CB -0.450 31.403 31.823 0.050 0.000 0.671 220 V HN 0.259 nan 8.190 nan 0.000 0.455 221 E N 0.825 121.001 120.200 -0.040 0.000 2.070 221 E HA -0.271 4.080 4.350 0.001 0.000 0.197 221 E C 2.343 178.916 176.600 -0.045 0.000 1.004 221 E CA 1.462 57.848 56.400 -0.022 0.000 0.805 221 E CB -0.419 29.273 29.700 -0.014 0.000 0.744 221 E HN 0.349 nan 8.360 nan 0.000 0.451 222 R N 1.436 121.894 120.500 -0.070 0.000 2.152 222 R HA -0.105 4.236 4.340 0.001 0.000 0.232 222 R C 1.899 178.158 176.300 -0.069 0.000 1.117 222 R CA 1.317 57.375 56.100 -0.069 0.000 0.981 222 R CB -0.205 30.047 30.300 -0.081 0.000 0.870 222 R HN -0.100 nan 8.270 nan 0.000 0.451 223 K N 0.020 120.375 120.400 -0.075 0.000 2.167 223 K HA 0.070 4.391 4.320 0.001 0.000 0.203 223 K C 1.433 177.993 176.600 -0.066 0.000 1.052 223 K CA 1.018 57.259 56.287 -0.077 0.000 0.956 223 K CB -0.116 32.333 32.500 -0.084 0.000 0.735 223 K HN 0.177 nan 8.250 nan 0.000 0.451 224 N N -0.093 118.577 118.700 -0.050 0.000 2.069 224 N HA -0.159 4.581 4.740 0.001 0.000 0.191 224 N C 1.699 177.178 175.510 -0.052 0.000 1.031 224 N CA 1.329 54.353 53.050 -0.044 0.000 0.852 224 N CB -0.788 37.686 38.487 -0.021 0.000 1.018 224 N HN 0.073 nan 8.380 nan 0.000 0.423 225 S N 0.867 116.538 115.700 -0.048 0.000 2.369 225 S HA -0.194 4.276 4.470 0.001 0.000 0.225 225 S C 1.300 175.867 174.600 -0.054 0.000 1.043 225 S CA 1.703 59.874 58.200 -0.048 0.000 1.074 225 S CB -0.451 62.723 63.200 -0.044 0.000 0.962 225 S HN 0.231 nan 8.310 nan 0.000 0.433 226 D N 0.604 120.968 120.400 -0.060 0.000 2.178 226 D HA -0.021 4.620 4.640 0.001 0.000 0.201 226 D C 1.803 178.061 176.300 -0.070 0.000 0.980 226 D CA 0.854 54.816 54.000 -0.064 0.000 0.842 226 D CB -0.277 40.480 40.800 -0.071 0.000 0.948 226 D HN 0.465 nan 8.370 nan 0.000 0.472 227 I N 0.557 121.082 120.570 -0.076 0.000 2.072 227 I HA -0.260 3.910 4.170 0.001 0.000 0.235 227 I C 2.308 178.378 176.117 -0.079 0.000 1.058 227 I CA 1.101 62.352 61.300 -0.082 0.000 1.320 227 I CB -0.193 37.754 38.000 -0.088 0.000 1.047 227 I HN -0.108 nan 8.210 nan 0.000 0.397 228 K N 0.336 120.686 120.400 -0.084 0.000 2.089 228 K HA -0.279 4.041 4.320 0.001 0.000 0.210 228 K C 2.285 178.848 176.600 -0.063 0.000 1.048 228 K CA 1.763 57.998 56.287 -0.086 0.000 0.926 228 K CB -0.281 32.169 32.500 -0.084 0.000 0.714 228 K HN 0.202 nan 8.250 nan 0.000 0.448 229 R N 0.956 121.423 120.500 -0.054 0.000 2.080 229 R HA -0.170 4.170 4.340 0.001 0.000 0.236 229 R C 2.378 178.655 176.300 -0.039 0.000 1.137 229 R CA 1.533 57.607 56.100 -0.044 0.000 0.943 229 R CB -0.374 29.901 30.300 -0.042 0.000 0.846 229 R HN 0.137 nan 8.270 nan 0.000 0.431 230 L N 0.877 122.074 121.223 -0.044 0.000 2.083 230 L HA -0.118 4.223 4.340 0.001 0.000 0.209 230 L C 2.064 178.919 176.870 -0.025 0.000 1.083 230 L CA 1.487 56.305 54.840 -0.037 0.000 0.752 230 L CB -0.229 41.802 42.059 -0.047 0.000 0.899 230 L HN 0.267 nan 8.230 nan 0.000 0.433 231 L N -1.245 119.961 121.223 -0.027 0.000 2.017 231 L HA -0.235 4.105 4.340 0.001 0.000 0.208 231 L C 2.410 179.282 176.870 0.003 0.000 1.073 231 L CA 1.886 56.724 54.840 -0.005 0.000 0.745 231 L CB -1.035 41.012 42.059 -0.021 0.000 0.894 231 L HN 0.259 nan 8.230 nan 0.000 0.432 232 T N -0.364 114.181 114.554 -0.015 0.000 2.624 232 T HA -0.279 4.072 4.350 0.001 0.000 0.268 232 T C 1.887 176.587 174.700 -0.001 0.000 1.041 232 T CA 1.598 63.693 62.100 -0.009 0.000 1.159 232 T CB -0.185 68.670 68.868 -0.020 0.000 0.863 232 T HN 0.275 nan 8.240 nan 0.000 0.434 233 K N 0.438 120.833 120.400 -0.008 0.000 2.147 233 K HA 0.068 4.389 4.320 0.001 0.000 0.205 233 K C 2.093 178.694 176.600 0.001 0.000 1.049 233 K CA 0.866 57.149 56.287 -0.007 0.000 0.936 233 K CB -0.228 32.263 32.500 -0.014 0.000 0.722 233 K HN 0.339 nan 8.250 nan 0.000 0.446 234 L N 0.575 121.802 121.223 0.007 0.000 2.554 234 L HA -0.003 4.338 4.340 0.001 0.000 0.226 234 L C 1.466 178.352 176.870 0.026 0.000 1.137 234 L CA 0.419 55.268 54.840 0.015 0.000 0.863 234 L CB 0.122 42.192 42.059 0.017 0.000 0.985 234 L HN 0.145 nan 8.230 nan 0.000 0.451 235 L N -0.770 120.471 121.223 0.030 0.000 2.808 235 L HA 0.185 4.526 4.340 0.001 0.000 0.246 235 L C 0.277 177.164 176.870 0.029 0.000 1.153 235 L CA -0.386 54.478 54.840 0.040 0.000 0.956 235 L CB 0.820 42.917 42.059 0.063 0.000 1.270 235 L HN -0.110 nan 8.230 nan 0.000 0.528 236 V N 0.892 120.817 119.914 0.018 0.000 2.673 236 V HA 0.291 4.412 4.120 0.001 0.000 0.303 236 V C 1.476 177.578 176.094 0.014 0.000 1.046 236 V CA 1.047 63.355 62.300 0.013 0.000 1.126 236 V CB 0.211 32.038 31.823 0.006 0.000 0.934 236 V HN 0.636 nan 8.190 nan 0.000 0.487 237 G N 4.643 113.451 108.800 0.013 0.000 4.526 237 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 237 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 237 G C 0.453 175.363 174.900 0.017 0.000 1.428 237 G CA 0.219 45.327 45.100 0.013 0.000 0.928 237 G HN 0.713 nan 8.290 nan 0.000 0.639 238 R N 1.948 122.461 120.500 0.020 0.000 2.784 238 R HA 0.389 4.729 4.340 0.001 0.000 0.266 238 R C -2.353 173.966 176.300 0.031 0.000 1.044 238 R CA -0.729 55.385 56.100 0.024 0.000 1.151 238 R CB -0.384 29.932 30.300 0.027 0.000 1.037 238 R HN 0.285 nan 8.270 nan 0.000 0.478 239 P HA -0.006 nan 4.420 nan 0.000 0.271 239 P C -0.135 177.199 177.300 0.058 0.000 1.218 239 P CA -0.058 63.064 63.100 0.037 0.000 0.780 239 P CB 0.449 32.163 31.700 0.024 0.000 0.901 240 T N -0.438 114.167 114.554 0.085 0.000 4.282 240 T HA 0.066 4.416 4.350 0.001 0.000 0.231 240 T C 0.295 175.094 174.700 0.165 0.000 1.004 240 T CA -0.215 61.978 62.100 0.155 0.000 1.146 240 T CB -1.034 67.952 68.868 0.196 0.000 1.285 240 T HN 0.208 nan 8.240 nan 0.000 0.971 241 K N 3.021 123.477 120.400 0.093 0.000 2.319 241 K HA 0.200 4.521 4.320 0.001 0.000 0.237 241 K C 1.058 177.676 176.600 0.029 0.000 1.113 241 K CA -0.782 55.499 56.287 -0.011 0.000 1.072 241 K CB 0.114 32.603 32.500 -0.018 0.000 1.734 241 K HN 0.786 nan 8.250 nan 0.000 0.429 242 W N 1.754 123.093 121.300 0.066 0.000 2.576 242 W HA -0.120 4.541 4.660 0.001 0.000 0.270 242 W C 1.126 177.679 176.519 0.056 0.000 1.255 242 W CA -0.070 57.303 57.345 0.045 0.000 1.314 242 W CB -0.852 28.625 29.460 0.028 0.000 1.101 242 W HN 0.425 nan 8.180 nan 0.000 0.595 243 Y N 3.443 123.415 120.300 -0.548 0.000 2.030 243 Y HA -0.374 4.177 4.550 0.001 0.000 0.272 243 Y C 1.685 177.496 175.900 -0.147 0.000 1.185 243 Y CA 3.052 60.881 58.100 -0.452 0.000 1.120 243 Y CB -0.698 37.406 38.460 -0.594 0.000 0.955 243 Y HN -0.101 nan 8.280 nan 0.000 0.495 244 D N -0.094 120.358 120.400 0.087 0.000 2.350 244 D HA -0.110 4.530 4.640 0.001 0.000 0.216 244 D C 1.948 178.243 176.300 -0.007 0.000 0.968 244 D CA 1.003 55.030 54.000 0.044 0.000 0.894 244 D CB -0.186 40.663 40.800 0.082 0.000 0.909 244 D HN 0.412 nan 8.370 nan 0.000 0.520 245 L N 0.013 121.251 121.223 0.025 0.000 2.209 245 L HA 0.002 4.343 4.340 0.001 0.000 0.207 245 L C 2.080 178.950 176.870 -0.001 0.000 1.094 245 L CA 0.232 55.090 54.840 0.031 0.000 0.790 245 L CB -0.186 41.921 42.059 0.080 0.000 0.932 245 L HN 0.132 nan 8.230 nan 0.000 0.447 246 L N 0.318 121.536 121.223 -0.008 0.000 1.991 246 L HA -0.254 4.087 4.340 0.001 0.000 0.221 246 L C -0.124 176.691 176.870 -0.093 0.000 1.079 246 L CA 2.029 56.842 54.840 -0.045 0.000 0.778 246 L CB -2.117 39.894 42.059 -0.080 0.000 0.893 246 L HN 0.229 nan 8.230 nan 0.000 0.437 247 P HA -0.198 nan 4.420 nan 0.000 0.217 247 P C 1.830 179.084 177.300 -0.077 0.000 1.162 247 P CA 2.001 65.044 63.100 -0.096 0.000 0.901 247 P CB -0.259 31.395 31.700 -0.076 0.000 0.793 248 V N -0.152 119.728 119.914 -0.056 0.000 2.255 248 V HA -0.238 3.882 4.120 0.001 0.000 0.247 248 V C 2.751 178.807 176.094 -0.064 0.000 1.051 248 V CA 2.206 64.479 62.300 -0.046 0.000 1.018 248 V CB -1.825 29.983 31.823 -0.025 0.000 0.641 248 V HN -0.069 nan 8.190 nan 0.000 0.445 249 V N -0.259 119.617 119.914 -0.063 0.000 2.252 249 V HA -0.405 3.715 4.120 0.001 0.000 0.249 249 V C 2.533 178.551 176.094 -0.127 0.000 1.056 249 V CA 2.594 64.846 62.300 -0.080 0.000 1.022 249 V CB -0.864 30.920 31.823 -0.065 0.000 0.641 249 V HN 0.600 nan 8.190 nan 0.000 0.445 250 Q N -0.564 119.147 119.800 -0.149 0.000 1.998 250 Q HA -0.275 4.066 4.340 0.001 0.000 0.209 250 Q C 2.393 178.238 176.000 -0.258 0.000 1.002 250 Q CA 2.496 58.164 55.803 -0.226 0.000 0.858 250 Q CB -0.312 28.295 28.738 -0.219 0.000 0.932 250 Q HN 0.597 nan 8.270 nan 0.000 0.416 251 L N -0.143 120.974 121.223 -0.176 0.000 1.997 251 L HA -0.298 4.043 4.340 0.001 0.000 0.216 251 L C 2.490 179.275 176.870 -0.140 0.000 1.074 251 L CA 1.574 56.331 54.840 -0.138 0.000 0.763 251 L CB -0.623 41.393 42.059 -0.072 0.000 0.890 251 L HN 0.408 nan 8.230 nan 0.000 0.434 252 A N -0.353 122.399 122.820 -0.114 0.000 1.883 252 A HA -0.235 4.086 4.320 0.001 0.000 0.217 252 A C 2.131 179.641 177.584 -0.123 0.000 1.186 252 A CA 1.790 53.770 52.037 -0.095 0.000 0.624 252 A CB -0.812 18.144 19.000 -0.074 0.000 0.822 252 A HN 0.469 nan 8.150 nan 0.000 0.444 253 L N -0.529 120.599 121.223 -0.158 0.000 2.217 253 L HA -0.121 4.219 4.340 0.001 0.000 0.211 253 L C 1.896 178.624 176.870 -0.236 0.000 1.107 253 L CA 0.826 55.559 54.840 -0.178 0.000 0.783 253 L CB -0.458 41.488 42.059 -0.188 0.000 0.919 253 L HN 0.364 nan 8.230 nan 0.000 0.442 254 N N -0.272 118.235 118.700 -0.322 0.000 2.446 254 N HA -0.062 4.678 4.740 0.001 0.000 0.179 254 N C 0.908 176.307 175.510 -0.185 0.000 1.054 254 N CA 0.686 53.477 53.050 -0.431 0.000 0.905 254 N CB 0.018 38.000 38.487 -0.841 0.000 0.973 254 N HN 0.300 nan 8.380 nan 0.000 0.448 255 N N 0.096 118.706 118.700 -0.150 0.000 2.273 255 N HA 0.075 4.815 4.740 0.001 0.000 0.231 255 N C -0.626 174.801 175.510 -0.139 0.000 1.134 255 N CA 0.162 53.135 53.050 -0.129 0.000 0.856 255 N CB 0.820 39.229 38.487 -0.130 0.000 1.068 255 N HN -0.040 nan 8.380 nan 0.000 0.510 256 T N 0.882 115.361 114.554 -0.125 0.000 2.767 256 T HA 0.257 4.607 4.350 0.001 0.000 0.288 256 T C -0.054 174.609 174.700 -0.062 0.000 0.963 256 T CA -0.268 61.790 62.100 -0.069 0.000 1.019 256 T CB 0.581 69.416 68.868 -0.055 0.000 0.923 256 T HN 0.021 nan 8.240 nan 0.000 0.468 257 Y N 2.255 122.535 120.300 -0.033 0.000 2.632 257 Y HA 0.121 4.672 4.550 0.001 0.000 0.329 257 Y C 1.352 177.233 175.900 -0.031 0.000 1.174 257 Y CA 0.242 58.327 58.100 -0.025 0.000 1.469 257 Y CB 0.462 38.888 38.460 -0.056 0.000 1.242 257 Y HN 0.525 nan 8.280 nan 0.000 0.540 258 S N 5.973 121.745 115.700 0.120 0.000 2.448 258 S HA 0.175 4.645 4.470 0.001 0.000 0.279 258 S C -1.634 173.007 174.600 0.068 0.000 1.195 258 S CA -1.471 56.773 58.200 0.073 0.000 1.051 258 S CB 0.720 63.960 63.200 0.066 0.000 0.948 258 S HN 0.438 nan 8.310 nan 0.000 0.493 259 P HA -0.108 nan 4.420 nan 0.000 0.219 259 P C 1.274 178.544 177.300 -0.051 0.000 1.146 259 P CA 0.743 63.827 63.100 -0.027 0.000 0.808 259 P CB 0.022 31.692 31.700 -0.050 0.000 0.779 260 V N -1.405 118.479 119.914 -0.050 0.000 2.548 260 V HA -0.136 3.984 4.120 0.001 0.000 0.249 260 V C 2.193 178.273 176.094 -0.023 0.000 1.055 260 V CA 1.480 63.718 62.300 -0.102 0.000 1.065 260 V CB -1.056 30.688 31.823 -0.131 0.000 0.681 260 V HN 0.089 nan 8.190 nan 0.000 0.462 261 L N -1.053 120.210 121.223 0.067 0.000 2.463 261 L HA 0.204 4.545 4.340 0.001 0.000 0.219 261 L C 0.993 177.920 176.870 0.094 0.000 1.088 261 L CA 0.173 55.118 54.840 0.175 0.000 0.849 261 L CB -0.256 41.955 42.059 0.254 0.000 1.012 261 L HN 0.219 nan 8.230 nan 0.000 0.468 262 K N -0.010 120.381 120.400 -0.015 0.000 3.096 262 K HA -0.217 4.103 4.320 0.001 0.000 0.266 262 K C -1.404 174.972 176.600 -0.374 0.000 1.043 262 K CA 0.669 56.855 56.287 -0.168 0.000 0.758 262 K CB -1.927 30.389 32.500 -0.307 0.000 1.260 262 K HN 0.231 nan 8.250 nan 0.000 0.481 263 Y N -0.937 119.513 120.300 0.250 0.000 2.482 263 Y HA 0.134 4.684 4.550 0.001 0.000 0.334 263 Y C 0.542 176.359 175.900 -0.139 0.000 1.091 263 Y CA -0.877 57.249 58.100 0.044 0.000 1.027 263 Y CB 1.561 40.050 38.460 0.048 0.000 1.306 263 Y HN 0.143 nan 8.280 nan 0.000 0.446 264 T N -0.051 114.363 114.554 -0.234 0.000 2.913 264 T HA 0.249 4.599 4.350 0.001 0.000 0.297 264 T C -2.140 172.561 174.700 0.001 0.000 1.029 264 T CA -1.735 60.245 62.100 -0.199 0.000 1.104 264 T CB 1.547 70.229 68.868 -0.309 0.000 0.964 264 T HN 0.297 nan 8.240 nan 0.000 0.532 265 P HA -0.176 nan 4.420 nan 0.000 0.215 265 P C 1.319 178.732 177.300 0.189 0.000 1.157 265 P CA 1.675 64.809 63.100 0.057 0.000 0.874 265 P CB -0.234 31.447 31.700 -0.032 0.000 0.790 266 H N -0.227 118.958 119.070 0.192 0.000 2.321 266 H HA -0.214 4.343 4.556 0.001 0.000 0.295 266 H C 2.080 177.527 175.328 0.199 0.000 1.102 266 H CA 2.077 58.346 56.048 0.368 0.000 1.266 266 H CB -0.380 29.604 29.762 0.370 0.000 1.363 266 H HN 0.097 nan 8.280 nan 0.000 0.492 267 Q N 0.076 120.092 119.800 0.360 0.000 2.061 267 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 267 Q C 2.577 178.595 176.000 0.030 0.000 0.984 267 Q CA 1.917 57.864 55.803 0.240 0.000 0.846 267 Q CB -0.054 28.807 28.738 0.205 0.000 0.902 267 Q HN 0.552 nan 8.270 nan 0.000 0.421 268 L N -0.060 121.142 121.223 -0.036 0.000 2.191 268 L HA -0.168 4.173 4.340 0.001 0.000 0.212 268 L C 2.213 178.960 176.870 -0.205 0.000 1.103 268 L CA 0.315 55.075 54.840 -0.133 0.000 0.769 268 L CB -0.344 41.654 42.059 -0.102 0.000 0.908 268 L HN 0.262 nan 8.230 nan 0.000 0.438 269 L N -0.946 120.078 121.223 -0.331 0.000 2.127 269 L HA -0.014 4.326 4.340 0.001 0.000 0.203 269 L C 1.822 178.247 176.870 -0.742 0.000 1.080 269 L CA 1.826 56.254 54.840 -0.686 0.000 0.768 269 L CB -0.218 41.121 42.059 -1.200 0.000 0.924 269 L HN 0.047 nan 8.230 nan 0.000 0.444 270 F N -1.539 118.269 119.950 -0.237 0.000 2.727 270 F HA 0.383 4.910 4.527 0.001 0.000 0.302 270 F C 1.884 177.641 175.800 -0.071 0.000 1.107 270 F CA 0.373 58.261 58.000 -0.186 0.000 1.277 270 F CB 0.014 38.819 39.000 -0.325 0.000 1.079 270 F HN 0.089 nan 8.300 nan 0.000 0.594 271 G N 1.883 110.744 108.800 0.101 0.000 2.184 271 G HA2 -0.334 3.627 3.960 0.001 0.000 0.264 271 G HA3 -0.334 3.627 3.960 0.001 0.000 0.264 271 G C 0.095 175.080 174.900 0.142 0.000 0.975 271 G CA 0.660 45.812 45.100 0.087 0.000 0.642 271 G HN 0.467 nan 8.290 nan 0.000 0.536 272 I N -3.313 117.385 120.570 0.214 0.000 2.894 272 I HA 0.747 4.918 4.170 0.001 0.000 0.302 272 I C -1.076 175.251 176.117 0.350 0.000 1.188 272 I CA -1.670 59.760 61.300 0.216 0.000 1.014 272 I CB 1.871 39.960 38.000 0.148 0.000 1.242 272 I HN -0.141 nan 8.210 nan 0.000 0.430 273 D N 3.603 124.134 120.400 0.219 0.000 2.304 273 D HA 0.317 4.957 4.640 0.001 0.000 0.250 273 D C 0.304 176.636 176.300 0.053 0.000 1.107 273 D CA 0.179 54.228 54.000 0.082 0.000 0.885 273 D CB 1.735 42.543 40.800 0.012 0.000 1.192 273 D HN 0.817 nan 8.370 nan 0.000 0.436 274 S N 2.242 117.898 115.700 -0.074 0.000 2.562 274 S HA 0.001 4.472 4.470 0.001 0.000 0.256 274 S C 0.720 175.294 174.600 -0.043 0.000 1.248 274 S CA -0.612 57.573 58.200 -0.024 0.000 0.988 274 S CB 0.247 63.447 63.200 -0.001 0.000 1.035 274 S HN 0.385 nan 8.310 nan 0.000 0.548 275 N N 1.206 119.888 118.700 -0.030 0.000 3.243 275 N HA 0.224 4.965 4.740 0.001 0.000 0.310 275 N C -0.889 174.603 175.510 -0.029 0.000 1.313 275 N CA 0.019 53.053 53.050 -0.025 0.000 1.204 275 N CB -1.008 37.469 38.487 -0.017 0.000 1.483 275 N HN 0.500 nan 8.380 nan 0.000 0.553 276 T N 1.378 115.908 114.554 -0.040 0.000 2.934 276 T HA 0.385 4.736 4.350 0.001 0.000 0.283 276 T C -2.355 172.350 174.700 0.008 0.000 1.005 276 T CA -1.178 60.906 62.100 -0.026 0.000 1.041 276 T CB 1.052 69.879 68.868 -0.067 0.000 1.042 276 T HN 0.180 nan 8.240 nan 0.000 0.505 277 P HA 0.087 nan 4.420 nan 0.000 0.263 277 P C -0.039 177.415 177.300 0.256 0.000 1.175 277 P CA 0.321 63.487 63.100 0.110 0.000 0.761 277 P CB -0.242 31.597 31.700 0.232 0.000 0.794 278 F N -0.985 118.968 119.950 0.004 0.000 3.091 278 F HA -0.256 4.271 4.527 0.001 0.000 0.288 278 F C 0.928 176.748 175.800 0.034 0.000 0.907 278 F CA 0.421 58.434 58.000 0.020 0.000 1.028 278 F CB -2.081 36.938 39.000 0.031 0.000 1.022 278 F HN 0.328 nan 8.300 nan 0.000 0.665 279 A N 1.077 123.963 122.820 0.110 0.000 2.491 279 A HA 0.225 4.545 4.320 0.001 0.000 0.261 279 A C 0.736 178.378 177.584 0.096 0.000 1.101 279 A CA -0.100 51.985 52.037 0.079 0.000 0.772 279 A CB 0.129 19.142 19.000 0.022 0.000 1.043 279 A HN 0.417 nan 8.150 nan 0.000 0.501 280 N N 2.350 121.128 118.700 0.130 0.000 2.468 280 N HA 0.011 4.752 4.740 0.001 0.000 0.265 280 N C 0.441 176.012 175.510 0.102 0.000 1.199 280 N CA 0.376 53.508 53.050 0.137 0.000 0.928 280 N CB 0.877 39.480 38.487 0.194 0.000 1.059 280 N HN 0.726 nan 8.380 nan 0.000 0.467 281 Q N 1.624 121.473 119.800 0.082 0.000 2.319 281 Q HA 0.057 4.397 4.340 0.001 0.000 0.209 281 Q C 0.407 176.446 176.000 0.065 0.000 0.884 281 Q CA -0.138 55.703 55.803 0.063 0.000 0.938 281 Q CB 0.457 29.221 28.738 0.043 0.000 1.098 281 Q HN 0.604 nan 8.270 nan 0.000 0.517 282 D N 0.215 120.661 120.400 0.077 0.000 2.244 282 D HA -0.197 4.444 4.640 0.001 0.000 0.197 282 D C 1.594 177.934 176.300 0.068 0.000 1.006 282 D CA 2.037 56.080 54.000 0.072 0.000 0.888 282 D CB -0.241 40.611 40.800 0.086 0.000 0.912 282 D HN 0.383 nan 8.370 nan 0.000 0.452 283 T N -2.117 112.482 114.554 0.075 0.000 3.186 283 T HA 0.127 4.478 4.350 0.001 0.000 0.257 283 T C 1.541 176.273 174.700 0.053 0.000 1.029 283 T CA -0.347 61.792 62.100 0.066 0.000 0.916 283 T CB -0.124 68.790 68.868 0.077 0.000 1.041 283 T HN -0.105 nan 8.240 nan 0.000 0.562 284 L N 1.521 122.773 121.223 0.048 0.000 2.261 284 L HA 0.053 4.394 4.340 0.001 0.000 0.216 284 L C 1.619 178.509 176.870 0.032 0.000 1.114 284 L CA 1.551 56.414 54.840 0.038 0.000 0.777 284 L CB -0.381 41.698 42.059 0.033 0.000 0.910 284 L HN 0.268 nan 8.230 nan 0.000 0.440 285 D N -1.416 119.003 120.400 0.032 0.000 2.354 285 D HA 0.132 4.772 4.640 0.001 0.000 0.209 285 D C 0.686 177.002 176.300 0.027 0.000 1.015 285 D CA 0.180 54.196 54.000 0.026 0.000 0.867 285 D CB 0.328 41.143 40.800 0.025 0.000 0.933 285 D HN 0.208 nan 8.370 nan 0.000 0.520 286 L N 1.526 122.768 121.223 0.031 0.000 2.395 286 L HA 0.190 4.531 4.340 0.001 0.000 0.269 286 L C 1.299 178.186 176.870 0.028 0.000 1.133 286 L CA -0.498 54.360 54.840 0.030 0.000 0.812 286 L CB 0.864 42.944 42.059 0.035 0.000 1.125 286 L HN -0.050 nan 8.230 nan 0.000 0.452 287 T N -1.078 113.490 114.554 0.024 0.000 2.795 287 T HA -0.019 4.331 4.350 0.001 0.000 0.314 287 T C 1.138 175.853 174.700 0.026 0.000 1.069 287 T CA -0.357 61.756 62.100 0.022 0.000 1.071 287 T CB 0.923 69.803 68.868 0.019 0.000 0.988 287 T HN 0.624 nan 8.240 nan 0.000 0.543 288 R N 0.940 121.456 120.500 0.026 0.000 2.103 288 R HA -0.124 4.216 4.340 0.001 0.000 0.242 288 R C 2.349 178.666 176.300 0.028 0.000 1.142 288 R CA 2.195 58.313 56.100 0.030 0.000 0.960 288 R CB -1.024 29.293 30.300 0.028 0.000 0.858 288 R HN 0.899 nan 8.270 nan 0.000 0.439 289 E N 0.153 120.366 120.200 0.023 0.000 2.038 289 E HA -0.224 4.127 4.350 0.001 0.000 0.195 289 E C 1.982 178.595 176.600 0.020 0.000 1.000 289 E CA 1.737 58.148 56.400 0.019 0.000 0.803 289 E CB -0.177 29.532 29.700 0.015 0.000 0.750 289 E HN 0.551 nan 8.360 nan 0.000 0.448 290 E N 0.910 121.123 120.200 0.021 0.000 2.038 290 E HA -0.242 4.108 4.350 0.001 0.000 0.195 290 E C 2.174 178.790 176.600 0.026 0.000 1.000 290 E CA 1.193 57.607 56.400 0.022 0.000 0.803 290 E CB -0.137 29.577 29.700 0.023 0.000 0.750 290 E HN 0.263 nan 8.360 nan 0.000 0.448 291 E N 0.951 121.170 120.200 0.032 0.000 2.065 291 E HA -0.244 4.106 4.350 0.001 0.000 0.201 291 E C 2.177 178.796 176.600 0.031 0.000 1.016 291 E CA 1.081 57.504 56.400 0.038 0.000 0.818 291 E CB -0.127 29.600 29.700 0.045 0.000 0.749 291 E HN 0.208 nan 8.360 nan 0.000 0.453 292 L N 0.558 121.798 121.223 0.028 0.000 2.127 292 L HA -0.190 4.150 4.340 0.001 0.000 0.211 292 L C 2.702 179.579 176.870 0.011 0.000 1.089 292 L CA 1.594 56.447 54.840 0.022 0.000 0.757 292 L CB -0.334 41.740 42.059 0.024 0.000 0.899 292 L HN 0.314 nan 8.230 nan 0.000 0.434 293 S N -0.792 114.915 115.700 0.012 0.000 2.425 293 S HA -0.132 4.338 4.470 0.001 0.000 0.225 293 S C 1.857 176.461 174.600 0.006 0.000 1.024 293 S CA 0.391 58.596 58.200 0.007 0.000 0.951 293 S CB -0.416 62.789 63.200 0.009 0.000 0.796 293 S HN 0.298 nan 8.310 nan 0.000 0.498 294 L N 1.356 122.587 121.223 0.013 0.000 2.042 294 L HA 0.065 4.406 4.340 0.001 0.000 0.210 294 L C 2.256 179.123 176.870 -0.004 0.000 1.076 294 L CA 1.642 56.492 54.840 0.015 0.000 0.749 294 L CB -0.790 41.288 42.059 0.032 0.000 0.893 294 L HN 0.433 nan 8.230 nan 0.000 0.432 295 L N -0.511 120.704 121.223 -0.013 0.000 2.046 295 L HA -0.244 4.096 4.340 0.001 0.000 0.208 295 L C 2.510 179.345 176.870 -0.059 0.000 1.077 295 L CA 2.051 56.860 54.840 -0.052 0.000 0.747 295 L CB -0.803 41.234 42.059 -0.037 0.000 0.896 295 L HN 0.489 nan 8.230 nan 0.000 0.432 296 Q N -0.885 118.896 119.800 -0.032 0.000 2.170 296 Q HA -0.233 4.107 4.340 0.001 0.000 0.203 296 Q C 2.152 178.135 176.000 -0.027 0.000 0.976 296 Q CA 1.530 57.316 55.803 -0.028 0.000 0.858 296 Q CB -0.131 28.599 28.738 -0.014 0.000 0.907 296 Q HN 0.613 nan 8.270 nan 0.000 0.433 297 E N 0.813 121.001 120.200 -0.019 0.000 2.006 297 E HA -0.188 4.162 4.350 0.001 0.000 0.192 297 E C 1.919 178.507 176.600 -0.020 0.000 0.993 297 E CA 1.215 57.609 56.400 -0.010 0.000 0.808 297 E CB -0.364 29.339 29.700 0.005 0.000 0.764 297 E HN 0.429 nan 8.360 nan 0.000 0.449 298 I N 1.108 121.653 120.570 -0.042 0.000 2.143 298 I HA -0.377 3.794 4.170 0.001 0.000 0.245 298 I C 2.814 178.881 176.117 -0.083 0.000 1.068 298 I CA 1.665 62.919 61.300 -0.078 0.000 1.326 298 I CB -0.339 37.517 38.000 -0.240 0.000 1.028 298 I HN 0.112 nan 8.210 nan 0.000 0.412 299 R N 0.109 120.549 120.500 -0.100 0.000 2.117 299 R HA -0.206 4.135 4.340 0.001 0.000 0.243 299 R C 2.350 178.629 176.300 -0.034 0.000 1.143 299 R CA 2.210 58.266 56.100 -0.074 0.000 0.968 299 R CB -0.907 29.351 30.300 -0.071 0.000 0.863 299 R HN 0.598 nan 8.270 nan 0.000 0.444 300 T N -1.788 112.752 114.554 -0.024 0.000 2.978 300 T HA -0.054 4.296 4.350 0.001 0.000 0.262 300 T C 1.847 176.549 174.700 0.004 0.000 1.063 300 T CA 1.056 63.147 62.100 -0.014 0.000 1.140 300 T CB -0.096 68.764 68.868 -0.013 0.000 0.886 300 T HN 0.248 nan 8.240 nan 0.000 0.470 301 S N 0.947 116.659 115.700 0.021 0.000 2.701 301 S HA 0.315 4.785 4.470 0.001 0.000 0.220 301 S C 0.580 175.231 174.600 0.086 0.000 0.954 301 S CA -0.666 57.563 58.200 0.050 0.000 0.936 301 S CB -0.992 62.243 63.200 0.059 0.000 0.777 301 S HN 0.497 nan 8.310 nan 0.000 0.518 302 L N 2.404 123.674 121.223 0.079 0.000 2.456 302 L HA 0.214 4.554 4.340 0.001 0.000 0.272 302 L C 0.582 177.546 176.870 0.157 0.000 1.189 302 L CA -0.718 54.202 54.840 0.132 0.000 0.846 302 L CB 0.193 42.315 42.059 0.105 0.000 1.111 302 L HN 0.424 nan 8.230 nan 0.000 0.475 303 Y N 3.196 123.557 120.300 0.101 0.000 2.805 303 Y HA -0.062 4.488 4.550 0.001 0.000 0.331 303 Y C -0.246 175.731 175.900 0.129 0.000 1.241 303 Y CA 0.182 58.337 58.100 0.092 0.000 1.546 303 Y CB -0.002 38.495 38.460 0.062 0.000 1.248 303 Y HN 0.432 nan 8.280 nan 0.000 0.559 304 H N 7.890 126.440 119.070 -0.866 0.000 2.823 304 H HA 0.448 5.004 4.556 0.001 0.000 0.332 304 H C -2.548 172.283 175.328 -0.828 0.000 0.980 304 H CA -2.276 53.343 56.048 -0.715 0.000 1.286 304 H CB 1.104 30.689 29.762 -0.294 0.000 1.541 304 H HN 0.549 nan 8.280 nan 0.000 0.521 305 P HA 0.094 nan 4.420 nan 0.000 0.269 305 P C -0.706 176.347 177.300 -0.412 0.000 1.215 305 P CA -0.264 62.482 63.100 -0.590 0.000 0.780 305 P CB 1.055 32.539 31.700 -0.360 0.000 0.898 306 S N -0.149 115.451 115.700 -0.167 0.000 2.681 306 S HA 0.495 4.966 4.470 0.001 0.000 0.299 306 S C 0.212 174.782 174.600 -0.049 0.000 1.113 306 S CA -0.693 57.461 58.200 -0.076 0.000 1.013 306 S CB 0.633 63.817 63.200 -0.026 0.000 1.076 306 S HN 0.672 nan 8.310 nan 0.000 0.534 307 T N 0.101 114.642 114.554 -0.023 0.000 2.926 307 T HA 0.401 4.751 4.350 0.001 0.000 0.307 307 T C -2.153 172.542 174.700 -0.007 0.000 1.059 307 T CA -1.015 61.077 62.100 -0.013 0.000 1.122 307 T CB -0.435 68.430 68.868 -0.004 0.000 0.972 307 T HN 0.589 nan 8.240 nan 0.000 0.545 308 P HA 0.395 nan 4.420 nan 0.000 0.276 308 P C -2.694 174.608 177.300 0.003 0.000 1.252 308 P CA -1.707 61.394 63.100 0.001 0.000 0.802 308 P CB -0.662 31.039 31.700 0.002 0.000 1.035 309 P HA 0.101 nan 4.420 nan 0.000 0.267 309 P C -0.266 177.038 177.300 0.007 0.000 1.200 309 P CA 0.159 63.264 63.100 0.007 0.000 0.772 309 P CB 0.053 31.759 31.700 0.010 0.000 0.855 310 A N 2.715 125.539 122.820 0.006 0.000 2.498 310 A HA 0.326 4.646 4.320 0.001 0.000 0.239 310 A C 0.791 178.384 177.584 0.016 0.000 1.068 310 A CA 0.042 52.083 52.037 0.008 0.000 0.766 310 A CB -0.460 18.544 19.000 0.007 0.000 1.003 310 A HN 0.610 nan 8.150 nan 0.000 0.497 311 S N 1.818 117.531 115.700 0.022 0.000 2.576 311 S HA 0.200 4.671 4.470 0.001 0.000 0.276 311 S C 1.325 175.947 174.600 0.036 0.000 1.339 311 S CA 0.090 58.308 58.200 0.030 0.000 1.039 311 S CB 0.867 64.091 63.200 0.039 0.000 0.902 311 S HN 1.721 nan 8.310 nan 0.000 0.516 312 S N 2.501 118.221 115.700 0.034 0.000 2.440 312 S HA -0.067 4.404 4.470 0.001 0.000 0.238 312 S C 0.906 175.532 174.600 0.044 0.000 1.010 312 S CA 0.444 58.665 58.200 0.034 0.000 0.972 312 S CB -0.463 62.755 63.200 0.029 0.000 0.774 312 S HN 0.785 nan 8.310 nan 0.000 0.501 313 R N 2.088 122.621 120.500 0.055 0.000 3.026 313 R HA 0.326 4.667 4.340 0.001 0.000 0.317 313 R C -0.295 176.070 176.300 0.108 0.000 1.278 313 R CA 0.090 56.231 56.100 0.070 0.000 1.407 313 R CB 0.847 31.182 30.300 0.058 0.000 1.368 313 R HN 0.572 nan 8.270 nan 0.000 0.612 314 S N 0.110 115.878 115.700 0.112 0.000 2.745 314 S HA 0.660 5.131 4.470 0.001 0.000 0.292 314 S C -0.187 174.553 174.600 0.234 0.000 1.133 314 S CA -0.752 57.538 58.200 0.150 0.000 0.998 314 S CB 1.735 64.968 63.200 0.055 0.000 1.087 314 S HN 0.479 nan 8.310 nan 0.000 0.551 315 W N -0.336 120.971 121.300 0.012 0.000 3.033 315 W HA 0.755 5.416 4.660 0.001 0.000 0.336 315 W C -1.613 174.914 176.519 0.013 0.000 1.173 315 W CA -1.012 56.336 57.345 0.006 0.000 1.185 315 W CB 0.769 30.226 29.460 -0.005 0.000 1.425 315 W HN 0.597 nan 8.180 nan 0.000 0.536 316 S N 2.592 118.315 115.700 0.038 0.000 2.536 316 S HA 0.628 5.099 4.470 0.001 0.000 0.298 316 S C -2.602 172.028 174.600 0.050 0.000 1.083 316 S CA -1.095 57.008 58.200 -0.162 0.000 0.995 316 S CB 2.225 65.374 63.200 -0.085 0.000 1.058 316 S HN 0.210 nan 8.310 nan 0.000 0.488 317 P HA 0.350 nan 4.420 nan 0.000 0.287 317 P C -1.129 176.235 177.300 0.107 0.000 1.294 317 P CA -0.368 62.817 63.100 0.142 0.000 0.776 317 P CB 0.546 32.267 31.700 0.035 0.000 0.889 318 V N 4.558 124.558 119.914 0.143 0.000 2.532 318 V HA 0.174 4.294 4.120 0.001 0.000 0.295 318 V C 0.615 176.757 176.094 0.079 0.000 1.041 318 V CA -0.951 61.403 62.300 0.089 0.000 0.926 318 V CB 1.949 33.821 31.823 0.082 0.000 0.992 318 V HN 0.292 nan 8.190 nan 0.000 0.457 319 V N 3.473 123.420 119.914 0.056 0.000 2.694 319 V HA 0.316 4.436 4.120 0.001 0.000 0.306 319 V C 1.367 177.488 176.094 0.045 0.000 1.054 319 V CA 1.156 63.485 62.300 0.048 0.000 1.161 319 V CB 0.028 31.872 31.823 0.035 0.000 0.916 319 V HN 1.390 nan 8.190 nan 0.000 0.490 320 G N 3.153 111.979 108.800 0.043 0.000 2.272 320 G HA2 -0.254 3.707 3.960 0.001 0.000 0.280 320 G HA3 -0.254 3.707 3.960 0.001 0.000 0.280 320 G C -0.086 174.835 174.900 0.035 0.000 1.067 320 G CA 0.508 45.629 45.100 0.035 0.000 0.902 320 G HN 0.874 nan 8.290 nan 0.000 0.500 321 Q N -0.755 119.073 119.800 0.047 0.000 2.274 321 Q HA 0.640 4.981 4.340 0.001 0.000 0.260 321 Q C 0.374 176.385 176.000 0.017 0.000 0.974 321 Q CA -1.035 54.791 55.803 0.038 0.000 0.876 321 Q CB 0.809 29.593 28.738 0.077 0.000 1.297 321 Q HN 0.318 nan 8.270 nan 0.000 0.446 322 L N 4.162 125.375 121.223 -0.018 0.000 2.369 322 L HA 0.330 4.670 4.340 0.001 0.000 0.279 322 L C -0.888 175.930 176.870 -0.086 0.000 1.108 322 L CA -0.241 54.576 54.840 -0.039 0.000 0.852 322 L CB 0.754 42.782 42.059 -0.050 0.000 1.169 322 L HN 0.453 nan 8.230 nan 0.000 0.452 323 V N 4.061 123.943 119.914 -0.054 0.000 2.888 323 V HA 0.383 4.503 4.120 0.001 0.000 0.309 323 V C -0.673 175.409 176.094 -0.021 0.000 1.114 323 V CA -0.716 61.543 62.300 -0.069 0.000 0.940 323 V CB 2.570 34.421 31.823 0.047 0.000 1.021 323 V HN 0.705 nan 8.190 nan 0.000 0.426 324 Q N 1.937 121.706 119.800 -0.053 0.000 2.375 324 Q HA 0.533 4.874 4.340 0.001 0.000 0.271 324 Q C -0.922 175.235 176.000 0.261 0.000 1.074 324 Q CA -0.626 55.214 55.803 0.062 0.000 0.808 324 Q CB 3.172 31.891 28.738 -0.032 0.000 1.327 324 Q HN 0.747 nan 8.270 nan 0.000 0.441 325 E N 1.893 122.313 120.200 0.366 0.000 2.249 325 E HA 0.200 4.550 4.350 0.001 0.000 0.280 325 E C -0.735 176.193 176.600 0.548 0.000 1.016 325 E CA -0.507 56.160 56.400 0.445 0.000 0.830 325 E CB 1.078 30.983 29.700 0.342 0.000 1.081 325 E HN 0.365 nan 8.360 nan 0.000 0.395 326 R N 2.698 123.398 120.500 0.334 0.000 2.594 326 R HA 0.128 4.469 4.340 0.001 0.000 0.272 326 R C -0.708 175.487 176.300 -0.175 0.000 1.074 326 R CA -0.487 55.470 56.100 -0.238 0.000 1.105 326 R CB 0.702 30.666 30.300 -0.559 0.000 1.008 326 R HN 0.318 nan 8.270 nan 0.000 0.472 327 V N 4.847 124.495 119.914 -0.443 0.000 2.740 327 V HA 0.015 4.135 4.120 0.001 0.000 0.303 327 V C 1.456 177.371 176.094 -0.298 0.000 1.054 327 V CA 0.750 62.789 62.300 -0.435 0.000 1.106 327 V CB 0.831 32.360 31.823 -0.491 0.000 0.957 327 V HN 1.117 nan 8.190 nan 0.000 0.486 328 A N 5.377 128.090 122.820 -0.178 0.000 2.021 328 A HA -0.036 4.285 4.320 0.001 0.000 0.206 328 A C 1.591 178.980 177.584 -0.324 0.000 1.210 328 A CA 2.086 53.926 52.037 -0.328 0.000 0.733 328 A CB -0.514 18.447 19.000 -0.064 0.000 0.839 328 A HN 1.163 nan 8.150 nan 0.000 0.495 329 R N 0.565 120.969 120.500 -0.159 0.000 2.575 329 R HA 0.559 4.900 4.340 0.001 0.000 0.281 329 R C -2.707 173.528 176.300 -0.109 0.000 1.272 329 R CA -1.498 54.533 56.100 -0.116 0.000 1.417 329 R CB -1.237 29.043 30.300 -0.035 0.000 1.121 329 R HN 0.560 nan 8.270 nan 0.000 0.583 330 P HA 0.194 nan 4.420 nan 0.000 0.264 330 P C 0.036 177.277 177.300 -0.098 0.000 1.183 330 P CA 0.153 63.165 63.100 -0.148 0.000 0.763 330 P CB 1.279 32.870 31.700 -0.181 0.000 0.807 331 A N 2.832 125.604 122.820 -0.080 0.000 2.280 331 A HA 0.337 4.657 4.320 0.001 0.000 0.268 331 A C 0.557 178.108 177.584 -0.055 0.000 1.111 331 A CA -0.290 51.714 52.037 -0.055 0.000 0.814 331 A CB -0.010 18.965 19.000 -0.041 0.000 1.093 331 A HN 0.465 nan 8.150 nan 0.000 0.498 332 S N -0.444 115.232 115.700 -0.041 0.000 2.481 332 S HA 0.356 4.826 4.470 0.001 0.000 0.282 332 S C 0.641 175.218 174.600 -0.037 0.000 1.243 332 S CA 0.343 58.520 58.200 -0.038 0.000 1.078 332 S CB -1.023 62.160 63.200 -0.028 0.000 0.916 332 S HN 1.042 nan 8.310 nan 0.000 0.495 333 L N 2.152 123.350 121.223 -0.041 0.000 4.800 333 L HA -0.197 4.143 4.340 0.001 0.000 0.412 333 L C 0.470 177.312 176.870 -0.045 0.000 1.063 333 L CA 0.612 55.428 54.840 -0.039 0.000 1.114 333 L CB -1.104 40.936 42.059 -0.031 0.000 2.089 333 L HN 0.607 nan 8.230 nan 0.000 0.686 334 R N 0.257 120.724 120.500 -0.056 0.000 2.720 334 R HA 0.570 4.911 4.340 0.001 0.000 0.272 334 R C -2.213 174.039 176.300 -0.081 0.000 0.991 334 R CA -1.799 54.264 56.100 -0.063 0.000 1.010 334 R CB 0.692 30.955 30.300 -0.062 0.000 1.141 334 R HN -0.247 nan 8.270 nan 0.000 0.494 335 P HA 0.062 nan 4.420 nan 0.000 0.264 335 P C 0.143 177.355 177.300 -0.146 0.000 1.193 335 P CA 0.017 63.076 63.100 -0.069 0.000 0.763 335 P CB 0.590 32.266 31.700 -0.041 0.000 0.810 336 R N 1.292 121.692 120.500 -0.167 0.000 2.307 336 R HA 0.111 4.451 4.340 0.001 0.000 0.199 336 R C -0.407 175.467 176.300 -0.710 0.000 1.000 336 R CA 0.432 56.281 56.100 -0.418 0.000 1.023 336 R CB -0.246 29.791 30.300 -0.439 0.000 0.908 336 R HN 0.565 nan 8.270 nan 0.000 0.473 337 W N -0.978 120.222 121.300 -0.166 0.000 2.936 337 W HA 0.382 5.043 4.660 0.001 0.000 0.338 337 W C 0.306 176.688 176.519 -0.229 0.000 1.121 337 W CA -0.886 56.360 57.345 -0.166 0.000 1.209 337 W CB 0.693 30.106 29.460 -0.078 0.000 1.420 337 W HN -0.078 nan 8.180 nan 0.000 0.516 338 H N 1.060 120.228 119.070 0.164 0.000 2.597 338 H HA 0.385 4.941 4.556 0.001 0.000 0.370 338 H C 0.667 176.013 175.328 0.030 0.000 1.281 338 H CA 0.032 56.071 56.048 -0.015 0.000 1.422 338 H CB 0.375 30.037 29.762 -0.167 0.000 1.524 338 H HN 0.506 nan 8.280 nan 0.000 0.607 339 K N 1.482 121.958 120.400 0.126 0.000 2.234 339 K HA 0.170 4.491 4.320 0.001 0.000 0.251 339 K C -2.470 174.177 176.600 0.078 0.000 1.011 339 K CA -1.235 55.099 56.287 0.079 0.000 0.889 339 K CB -1.247 31.290 32.500 0.062 0.000 1.011 339 K HN 0.393 nan 8.250 nan 0.000 0.505 340 P HA 0.206 nan 4.420 nan 0.000 0.269 340 P C -0.710 176.619 177.300 0.048 0.000 1.209 340 P CA -0.044 63.071 63.100 0.025 0.000 0.776 340 P CB 0.936 32.635 31.700 -0.003 0.000 0.876 341 S N -0.046 115.683 115.700 0.049 0.000 2.638 341 S HA 0.710 5.181 4.470 0.001 0.000 0.274 341 S C -0.944 173.685 174.600 0.049 0.000 1.157 341 S CA -0.755 57.481 58.200 0.061 0.000 0.826 341 S CB 1.155 64.410 63.200 0.092 0.000 1.139 341 S HN 0.275 nan 8.310 nan 0.000 0.474 342 T N 1.181 115.764 114.554 0.049 0.000 2.855 342 T HA 0.531 4.881 4.350 0.001 0.000 0.281 342 T C -0.282 174.451 174.700 0.056 0.000 1.007 342 T CA -0.605 61.522 62.100 0.044 0.000 1.009 342 T CB 1.411 70.300 68.868 0.034 0.000 0.983 342 T HN 0.553 nan 8.240 nan 0.000 0.455 343 V N 4.719 124.670 119.914 0.063 0.000 2.446 343 V HA 0.068 4.189 4.120 0.001 0.000 0.276 343 V C 1.264 177.389 176.094 0.053 0.000 1.030 343 V CA 0.296 62.639 62.300 0.072 0.000 1.033 343 V CB -0.337 31.539 31.823 0.089 0.000 0.993 343 V HN 0.796 nan 8.190 nan 0.000 0.477 344 L N 4.397 125.648 121.223 0.048 0.000 2.062 344 L HA 0.178 4.519 4.340 0.001 0.000 0.202 344 L C 1.306 178.197 176.870 0.035 0.000 1.079 344 L CA 1.389 56.251 54.840 0.037 0.000 0.755 344 L CB -0.336 41.742 42.059 0.032 0.000 0.913 344 L HN 0.676 nan 8.230 nan 0.000 0.445 345 K N -0.370 120.051 120.400 0.036 0.000 2.395 345 K HA 0.644 4.964 4.320 0.001 0.000 0.247 345 K C -0.988 175.632 176.600 0.034 0.000 0.973 345 K CA -0.492 55.814 56.287 0.032 0.000 0.828 345 K CB 1.629 34.146 32.500 0.027 0.000 1.272 345 K HN -0.153 nan 8.250 nan 0.000 0.439 346 V N 4.186 124.117 119.914 0.028 0.000 2.257 346 V HA 0.200 4.321 4.120 0.001 0.000 0.269 346 V C 1.421 177.525 176.094 0.016 0.000 1.040 346 V CA -0.433 61.881 62.300 0.023 0.000 0.813 346 V CB 0.142 31.977 31.823 0.019 0.000 1.065 346 V HN 0.833 nan 8.190 nan 0.000 0.457 347 L N 2.870 124.104 121.223 0.019 0.000 2.042 347 L HA -0.069 4.271 4.340 0.001 0.000 0.210 347 L C 1.007 177.885 176.870 0.014 0.000 1.076 347 L CA 1.425 56.278 54.840 0.021 0.000 0.749 347 L CB -0.213 41.863 42.059 0.029 0.000 0.893 347 L HN 0.904 nan 8.230 nan 0.000 0.432 348 N N -3.667 115.035 118.700 0.004 0.000 3.020 348 N HA 0.222 4.962 4.740 0.001 0.000 0.248 348 N C -2.630 172.865 175.510 -0.025 0.000 1.480 348 N CA -1.786 51.262 53.050 -0.004 0.000 0.874 348 N CB 0.347 38.837 38.487 0.004 0.000 1.433 348 N HN -0.383 nan 8.380 nan 0.000 0.530 349 P HA 0.053 nan 4.420 nan 0.000 0.236 349 P C 0.163 177.397 177.300 -0.110 0.000 1.172 349 P CA 0.950 64.010 63.100 -0.067 0.000 0.759 349 P CB 0.166 31.831 31.700 -0.058 0.000 0.843 350 R N -2.441 118.010 120.500 -0.082 0.000 2.541 350 R HA 0.209 4.549 4.340 0.001 0.000 0.332 350 R C -0.239 176.013 176.300 -0.081 0.000 0.951 350 R CA 0.270 56.312 56.100 -0.097 0.000 1.136 350 R CB 0.947 31.212 30.300 -0.059 0.000 1.449 350 R HN 0.070 nan 8.270 nan 0.000 0.531 351 T N 0.485 115.009 114.554 -0.050 0.000 2.886 351 T HA 0.515 4.866 4.350 0.001 0.000 0.292 351 T C -0.816 173.884 174.700 -0.001 0.000 1.012 351 T CA -0.499 61.585 62.100 -0.026 0.000 0.982 351 T CB 2.859 71.724 68.868 -0.004 0.000 1.018 351 T HN -0.258 nan 8.240 nan 0.000 0.451 352 V N 2.353 122.280 119.914 0.021 0.000 2.876 352 V HA 0.582 4.702 4.120 0.001 0.000 0.312 352 V C -0.587 175.538 176.094 0.053 0.000 1.085 352 V CA -0.859 61.467 62.300 0.043 0.000 0.945 352 V CB 2.446 34.311 31.823 0.070 0.000 1.017 352 V HN 0.767 nan 8.190 nan 0.000 0.428 353 V N 5.160 125.104 119.914 0.050 0.000 2.394 353 V HA 0.590 4.710 4.120 0.001 0.000 0.282 353 V C -0.246 175.881 176.094 0.054 0.000 1.031 353 V CA -0.380 61.949 62.300 0.049 0.000 0.881 353 V CB 1.325 33.171 31.823 0.039 0.000 0.982 353 V HN 0.769 nan 8.190 nan 0.000 0.451 354 I N 2.796 123.399 120.570 0.056 0.000 2.608 354 I HA 0.667 4.837 4.170 0.001 0.000 0.295 354 I C -0.830 175.311 176.117 0.041 0.000 1.049 354 I CA -1.149 60.187 61.300 0.059 0.000 1.063 354 I CB 1.974 40.024 38.000 0.084 0.000 1.248 354 I HN 0.462 nan 8.210 nan 0.000 0.424 355 L N 6.151 127.397 121.223 0.038 0.000 2.295 355 L HA 0.382 4.723 4.340 0.001 0.000 0.288 355 L C 0.023 176.914 176.870 0.035 0.000 1.079 355 L CA 0.394 55.248 54.840 0.025 0.000 0.830 355 L CB -0.242 41.830 42.059 0.023 0.000 1.200 355 L HN 0.876 nan 8.230 nan 0.000 0.438 356 D N 2.843 123.253 120.400 0.017 0.000 2.311 356 D HA 0.078 4.718 4.640 0.001 0.000 0.284 356 D C -0.246 176.097 176.300 0.071 0.000 1.182 356 D CA 0.137 54.173 54.000 0.059 0.000 1.111 356 D CB -0.151 40.645 40.800 -0.006 0.000 1.176 356 D HN 0.675 nan 8.370 nan 0.000 0.539 357 H N -1.473 117.566 119.070 -0.052 0.000 2.818 357 H HA 0.675 5.232 4.556 0.001 0.000 0.269 357 H C -0.572 174.737 175.328 -0.031 0.000 1.277 357 H CA -0.925 55.100 56.048 -0.038 0.000 1.290 357 H CB 0.082 29.812 29.762 -0.054 0.000 1.479 357 H HN 0.247 nan 8.280 nan 0.000 0.507 358 L N 3.276 124.467 121.223 -0.053 0.000 3.138 358 L HA 0.450 4.791 4.340 0.001 0.000 0.248 358 L C -1.123 175.742 176.870 -0.009 0.000 0.954 358 L CA -0.144 54.698 54.840 0.003 0.000 1.147 358 L CB 1.343 43.437 42.059 0.058 0.000 1.648 358 L HN 0.919 nan 8.230 nan 0.000 0.567 359 G N 2.195 110.983 108.800 -0.019 0.000 2.687 359 G HA2 0.658 4.618 3.960 0.001 0.000 0.301 359 G HA3 0.658 4.618 3.960 0.001 0.000 0.301 359 G C -1.624 173.251 174.900 -0.042 0.000 1.416 359 G CA -0.597 44.486 45.100 -0.029 0.000 1.005 359 G HN 0.503 nan 8.290 nan 0.000 0.509 360 N N 0.786 119.446 118.700 -0.067 0.000 2.272 360 N HA 0.360 5.101 4.740 0.001 0.000 0.305 360 N C -0.898 174.587 175.510 -0.042 0.000 1.103 360 N CA -1.096 51.919 53.050 -0.058 0.000 0.791 360 N CB 1.237 39.674 38.487 -0.083 0.000 1.356 360 N HN 0.296 nan 8.380 nan 0.000 0.486 361 N N 1.497 120.184 118.700 -0.022 0.000 2.452 361 N HA 0.124 4.864 4.740 0.001 0.000 0.266 361 N C -0.557 174.949 175.510 -0.007 0.000 1.209 361 N CA 0.121 53.168 53.050 -0.005 0.000 0.929 361 N CB 0.427 38.916 38.487 0.003 0.000 1.063 361 N HN 0.288 nan 8.380 nan 0.000 0.472 362 R N 1.113 121.617 120.500 0.007 0.000 2.599 362 R HA 0.413 4.753 4.340 0.001 0.000 0.295 362 R C -0.607 175.716 176.300 0.039 0.000 0.963 362 R CA -0.557 55.554 56.100 0.017 0.000 0.883 362 R CB 1.525 31.838 30.300 0.022 0.000 1.171 362 R HN 0.419 nan 8.270 nan 0.000 0.450 363 T N 2.159 116.738 114.554 0.042 0.000 2.767 363 T HA 0.466 4.816 4.350 0.001 0.000 0.288 363 T C -0.072 174.666 174.700 0.063 0.000 0.963 363 T CA -0.386 61.745 62.100 0.052 0.000 1.019 363 T CB 1.197 70.097 68.868 0.054 0.000 0.923 363 T HN 0.154 nan 8.240 nan 0.000 0.468 364 V N 1.896 121.848 119.914 0.063 0.000 3.049 364 V HA 0.579 4.699 4.120 0.001 0.000 0.309 364 V C -0.161 175.949 176.094 0.027 0.000 1.148 364 V CA -0.953 61.392 62.300 0.074 0.000 0.990 364 V CB 2.552 34.444 31.823 0.115 0.000 1.039 364 V HN 0.831 nan 8.190 nan 0.000 0.430 365 S N 1.441 117.131 115.700 -0.016 0.000 2.541 365 S HA 0.508 4.979 4.470 0.001 0.000 0.283 365 S C 1.196 175.806 174.600 0.018 0.000 1.196 365 S CA -0.605 57.515 58.200 -0.133 0.000 1.062 365 S CB 0.790 63.649 63.200 -0.568 0.000 1.009 365 S HN 0.528 nan 8.310 nan 0.000 0.502 366 I N 2.524 123.093 120.570 -0.002 0.000 2.315 366 I HA -0.199 3.971 4.170 0.001 0.000 0.251 366 I C 1.474 177.720 176.117 0.214 0.000 1.125 366 I CA 1.075 62.412 61.300 0.063 0.000 1.392 366 I CB -0.379 37.509 38.000 -0.186 0.000 1.065 366 I HN 0.550 nan 8.210 nan 0.000 0.424 367 D N 0.989 121.514 120.400 0.207 0.000 2.311 367 D HA -0.133 4.508 4.640 0.001 0.000 0.212 367 D C 1.282 177.772 176.300 0.317 0.000 0.972 367 D CA 0.975 55.151 54.000 0.294 0.000 0.887 367 D CB -0.363 40.666 40.800 0.381 0.000 0.915 367 D HN 0.348 nan 8.370 nan 0.000 0.497 368 N N -0.183 118.701 118.700 0.307 0.000 2.251 368 N HA 0.159 4.900 4.740 0.001 0.000 0.217 368 N C -0.277 175.488 175.510 0.424 0.000 1.124 368 N CA 0.034 53.267 53.050 0.304 0.000 0.843 368 N CB 0.928 39.563 38.487 0.247 0.000 1.024 368 N HN 0.194 nan 8.380 nan 0.000 0.501 369 L N 0.531 122.042 121.223 0.480 0.000 2.370 369 L HA 0.495 4.835 4.340 0.001 0.000 0.266 369 L C -0.254 176.833 176.870 0.362 0.000 1.002 369 L CA -1.005 54.122 54.840 0.478 0.000 0.818 369 L CB 2.261 44.610 42.059 0.483 0.000 1.325 369 L HN -0.028 nan 8.230 nan 0.000 0.418 370 K N 1.278 121.609 120.400 -0.115 0.000 2.371 370 K HA 0.703 5.024 4.320 0.001 0.000 0.251 370 K C -2.938 173.248 176.600 -0.690 0.000 0.934 370 K CA -2.002 53.956 56.287 -0.548 0.000 0.798 370 K CB 1.975 33.861 32.500 -1.023 0.000 1.204 370 K HN 0.058 nan 8.250 nan 0.000 0.427 371 P HA 0.082 nan 4.420 nan 0.000 0.276 371 P C -0.804 176.171 177.300 -0.542 0.000 1.235 371 P CA -0.301 62.303 63.100 -0.827 0.000 0.772 371 P CB 0.929 32.036 31.700 -0.988 0.000 0.871 372 T N 2.550 116.879 114.554 -0.374 0.000 2.867 372 T HA 0.173 4.523 4.350 0.001 0.000 0.297 372 T C 0.573 175.087 174.700 -0.310 0.000 0.989 372 T CA 0.174 62.092 62.100 -0.303 0.000 1.159 372 T CB -0.316 68.440 68.868 -0.186 0.000 0.928 372 T HN 0.409 nan 8.240 nan 0.000 0.538 373 S N 5.270 120.746 115.700 -0.373 0.000 2.537 373 S HA 0.497 4.968 4.470 0.001 0.000 0.275 373 S C -0.220 174.057 174.600 -0.538 0.000 1.272 373 S CA -0.867 57.035 58.200 -0.497 0.000 1.050 373 S CB 0.423 63.247 63.200 -0.627 0.000 0.961 373 S HN 0.894 nan 8.310 nan 0.000 0.496 374 H N 0.000 119.013 119.070 -0.094 0.000 2.539 374 H HA 0.000 4.557 4.556 0.001 0.000 0.296 374 H CA 0.000 56.004 56.048 -0.073 0.000 1.023 374 H CB 0.000 29.720 29.762 -0.070 0.000 1.292 374 H HN 0.000 nan 8.280 nan 0.000 0.496