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 3e7i_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.089 176.000 0.149 0.000 1.003 77 Q CA 0.000 55.783 55.803 -0.033 0.000 1.022 77 Q CB 0.000 28.563 28.738 -0.291 0.000 1.108 78 Y N -1.714 118.682 120.300 0.161 0.000 2.744 78 Y HA 0.822 5.372 4.550 0.000 0.000 0.330 78 Y C -1.211 174.777 175.900 0.146 0.000 1.263 78 Y CA -1.515 56.688 58.100 0.173 0.000 1.065 78 Y CB 0.603 39.155 38.460 0.153 0.000 1.306 78 Y HN 0.125 nan 8.280 nan 0.000 0.459 79 V N 2.095 122.307 119.914 0.496 0.000 2.513 79 V HA 0.547 4.667 4.120 0.000 0.000 0.299 79 V C -0.267 175.937 176.094 0.184 0.000 1.035 79 V CA -0.950 61.483 62.300 0.221 0.000 0.889 79 V CB 1.532 33.289 31.823 -0.109 0.000 0.988 79 V HN 0.751 nan 8.190 nan 0.000 0.440 80 R N 3.902 124.480 120.500 0.131 0.000 2.221 80 R HA 0.596 4.937 4.340 0.000 0.000 0.327 80 R C -1.045 175.204 176.300 -0.084 0.000 1.033 80 R CA -0.304 55.770 56.100 -0.042 0.000 0.887 80 R CB 0.621 30.932 30.300 0.019 0.000 1.057 80 R HN 0.660 nan 8.270 nan 0.000 0.455 81 I N 4.103 124.577 120.570 -0.160 0.000 2.404 81 I HA 0.295 4.465 4.170 0.000 0.000 0.293 81 I C -0.103 175.889 176.117 -0.208 0.000 0.992 81 I CA -0.597 60.625 61.300 -0.129 0.000 1.149 81 I CB 1.850 39.783 38.000 -0.112 0.000 1.315 81 I HN 0.437 nan 8.210 nan 0.000 0.446 82 K N 5.406 125.696 120.400 -0.183 0.000 2.208 82 K HA 0.358 4.678 4.320 0.000 0.000 0.247 82 K C -0.779 175.632 176.600 -0.316 0.000 0.953 82 K CA -0.722 55.358 56.287 -0.346 0.000 0.837 82 K CB 1.510 33.667 32.500 -0.572 0.000 1.131 82 K HN 0.500 nan 8.250 nan 0.000 0.431 83 N N 3.665 122.151 118.700 -0.357 0.000 2.564 83 N HA 0.103 4.843 4.740 0.000 0.000 0.248 83 N C -0.320 175.060 175.510 -0.216 0.000 0.986 83 N CA -0.388 52.570 53.050 -0.152 0.000 0.921 83 N CB 0.442 38.884 38.487 -0.076 0.000 1.136 83 N HN 0.640 nan 8.380 nan 0.000 0.509 84 W N 2.486 123.837 121.300 0.084 0.000 2.632 84 W HA 0.107 4.767 4.660 0.000 0.000 0.248 84 W C 1.960 178.499 176.519 0.033 0.000 1.259 84 W CA 0.347 57.739 57.345 0.079 0.000 1.288 84 W CB 0.049 29.594 29.460 0.142 0.000 1.136 84 W HN 0.620 nan 8.180 nan 0.000 0.640 85 G N -0.118 108.774 108.800 0.155 0.000 2.473 85 G HA2 -0.180 3.780 3.960 0.000 0.000 0.212 85 G HA3 -0.180 3.780 3.960 0.000 0.000 0.212 85 G C 1.598 176.500 174.900 0.004 0.000 1.211 85 G CA 1.170 46.291 45.100 0.034 0.000 0.813 85 G HN 0.268 nan 8.290 nan 0.000 0.541 86 S N -0.747 114.945 115.700 -0.013 0.000 2.478 86 S HA 0.345 4.815 4.470 0.000 0.000 0.222 86 S C 1.970 176.524 174.600 -0.077 0.000 1.008 86 S CA 1.149 59.325 58.200 -0.039 0.000 0.928 86 S CB 0.097 63.273 63.200 -0.040 0.000 0.781 86 S HN 1.637 nan 8.310 nan 0.000 0.518 87 G N 1.096 109.817 108.800 -0.132 0.000 2.176 87 G HA2 -0.302 3.658 3.960 0.000 0.000 0.253 87 G HA3 -0.302 3.658 3.960 0.000 0.000 0.253 87 G C -0.113 174.656 174.900 -0.218 0.000 0.979 87 G CA 0.321 45.294 45.100 -0.212 0.000 0.641 87 G HN 0.712 nan 8.290 nan 0.000 0.530 88 E N 0.038 120.134 120.200 -0.173 0.000 2.422 88 E HA 0.470 4.820 4.350 0.000 0.000 0.260 88 E C 0.394 176.858 176.600 -0.226 0.000 1.108 88 E CA -0.034 56.267 56.400 -0.164 0.000 0.943 88 E CB 0.244 29.866 29.700 -0.131 0.000 0.961 88 E HN 0.448 nan 8.360 nan 0.000 0.443 89 I N 3.275 123.711 120.570 -0.222 0.000 2.785 89 I HA 0.417 4.587 4.170 0.000 0.000 0.302 89 I C -0.570 175.333 176.117 -0.357 0.000 1.069 89 I CA -0.846 60.272 61.300 -0.304 0.000 1.045 89 I CB 1.530 39.349 38.000 -0.302 0.000 1.236 89 I HN 0.406 nan 8.210 nan 0.000 0.429 90 L N 3.078 124.009 121.223 -0.488 0.000 2.359 90 L HA 0.541 4.881 4.340 0.000 0.000 0.256 90 L C -1.590 174.910 176.870 -0.617 0.000 1.026 90 L CA -0.899 53.680 54.840 -0.435 0.000 0.828 90 L CB 2.444 44.229 42.059 -0.457 0.000 1.406 90 L HN 0.553 nan 8.230 nan 0.000 0.413 91 H N -0.733 118.286 119.070 -0.086 0.000 2.906 91 H HA 0.245 4.802 4.556 0.000 0.000 0.324 91 H C -1.159 174.179 175.328 0.016 0.000 0.973 91 H CA -0.737 55.156 56.048 -0.259 0.000 1.321 91 H CB 1.248 30.427 29.762 -0.970 0.000 1.535 91 H HN 0.334 nan 8.280 nan 0.000 0.518 92 D N 2.190 122.727 120.400 0.229 0.000 2.371 92 D HA 0.029 4.669 4.640 0.000 0.000 0.256 92 D C 0.234 176.623 176.300 0.148 0.000 1.193 92 D CA 0.437 54.545 54.000 0.179 0.000 0.881 92 D CB 1.167 42.101 40.800 0.223 0.000 1.143 92 D HN 0.597 nan 8.370 nan 0.000 0.473 93 T N 3.955 118.461 114.554 -0.081 0.000 3.056 93 T HA 0.017 4.367 4.350 0.000 0.000 0.241 93 T C 1.944 176.428 174.700 -0.360 0.000 1.006 93 T CA -0.238 61.754 62.100 -0.180 0.000 1.115 93 T CB 0.060 68.879 68.868 -0.080 0.000 0.939 93 T HN 0.356 nan 8.240 nan 0.000 0.462 94 L N 1.949 123.010 121.223 -0.270 0.000 2.127 94 L HA -0.205 4.135 4.340 0.000 0.000 0.211 94 L C 2.534 179.152 176.870 -0.421 0.000 1.089 94 L CA 1.975 56.681 54.840 -0.224 0.000 0.757 94 L CB -0.363 41.650 42.059 -0.076 0.000 0.899 94 L HN 0.583 nan 8.230 nan 0.000 0.434 95 H N -3.153 115.453 119.070 -0.773 0.000 2.539 95 H HA -0.228 4.329 4.556 0.000 0.000 0.292 95 H C 1.754 176.717 175.328 -0.608 0.000 1.069 95 H CA 1.855 57.136 56.048 -1.280 0.000 1.244 95 H CB -0.744 28.326 29.762 -1.154 0.000 1.365 95 H HN 0.521 nan 8.280 nan 0.000 0.575 96 H N 0.518 119.166 119.070 -0.704 0.000 2.436 96 H HA 0.093 4.649 4.556 0.000 0.000 0.294 96 H C 1.388 176.583 175.328 -0.222 0.000 1.048 96 H CA 0.620 56.412 56.048 -0.428 0.000 1.353 96 H CB 0.303 29.822 29.762 -0.404 0.000 1.414 96 H HN 0.349 nan 8.280 nan 0.000 0.536 97 K N 1.169 121.525 120.400 -0.073 0.000 2.555 97 K HA 0.129 4.449 4.320 0.000 0.000 0.193 97 K C 0.574 177.174 176.600 -0.001 0.000 1.032 97 K CA -0.057 56.219 56.287 -0.018 0.000 1.004 97 K CB 0.305 32.804 32.500 -0.002 0.000 0.804 97 K HN 0.182 nan 8.250 nan 0.000 0.496 98 A N 1.783 124.580 122.820 -0.038 0.000 2.624 98 A HA -0.074 4.246 4.320 0.000 0.000 0.231 98 A C 0.813 178.416 177.584 0.032 0.000 1.034 98 A CA 0.385 52.428 52.037 0.009 0.000 0.754 98 A CB 0.002 18.983 19.000 -0.032 0.000 0.953 98 A HN 0.260 nan 8.150 nan 0.000 0.509 99 T N 2.403 116.980 114.554 0.039 0.000 4.169 99 T HA 0.114 4.464 4.350 0.000 0.000 0.413 99 T C 1.975 176.704 174.700 0.048 0.000 1.164 99 T CA 0.397 62.513 62.100 0.026 0.000 0.996 99 T CB -0.283 68.585 68.868 -0.001 0.000 1.636 99 T HN 0.745 nan 8.240 nan 0.000 0.511 100 S N 0.818 116.550 115.700 0.054 0.000 2.436 100 S HA -0.001 4.469 4.470 0.000 0.000 0.208 100 S C 0.393 175.037 174.600 0.073 0.000 1.063 100 S CA 0.906 59.143 58.200 0.063 0.000 1.120 100 S CB -0.253 62.981 63.200 0.058 0.000 1.053 100 S HN 0.596 nan 8.310 nan 0.000 0.407 101 D N -1.125 119.325 120.400 0.083 0.000 2.601 101 D HA 0.509 5.149 4.640 0.000 0.000 0.230 101 D C -0.833 175.570 176.300 0.171 0.000 1.106 101 D CA -0.496 53.570 54.000 0.110 0.000 0.873 101 D CB 1.722 42.564 40.800 0.070 0.000 1.515 101 D HN 0.082 nan 8.370 nan 0.000 0.468 102 F N 0.204 120.154 119.950 -0.000 0.000 2.363 102 F HA 0.196 4.723 4.527 0.000 0.000 0.332 102 F C 1.927 177.719 175.800 -0.012 0.000 1.039 102 F CA -0.211 57.784 58.000 -0.009 0.000 1.127 102 F CB 0.422 39.430 39.000 0.013 0.000 1.701 102 F HN 0.176 nan 8.300 nan 0.000 0.532 103 T N -0.048 114.049 114.554 -0.762 0.000 2.985 103 T HA 0.032 4.382 4.350 0.000 0.000 0.266 103 T C 0.478 175.086 174.700 -0.152 0.000 1.076 103 T CA 0.658 62.454 62.100 -0.506 0.000 1.135 103 T CB -0.586 67.855 68.868 -0.713 0.000 0.890 103 T HN 0.322 nan 8.240 nan 0.000 0.480 104 C N 2.286 121.597 119.300 0.019 0.000 2.370 104 C HA 0.513 4.973 4.460 0.000 0.000 0.354 104 C C 1.079 176.104 174.990 0.059 0.000 1.218 104 C CA -1.494 57.559 59.018 0.058 0.000 2.154 104 C CB 1.190 28.999 27.740 0.114 0.000 2.391 104 C HN 0.414 nan 8.230 nan 0.000 0.540 105 K N 0.920 121.342 120.400 0.035 0.000 2.679 105 K HA 0.180 4.500 4.320 0.000 0.000 0.280 105 K C 1.263 177.884 176.600 0.036 0.000 1.040 105 K CA 0.068 56.373 56.287 0.030 0.000 1.002 105 K CB 0.191 32.702 32.500 0.017 0.000 1.276 105 K HN 0.799 nan 8.250 nan 0.000 0.492 106 S N -0.226 115.490 115.700 0.027 0.000 2.501 106 S HA 0.041 4.511 4.470 0.000 0.000 0.220 106 S C 1.125 175.737 174.600 0.020 0.000 0.997 106 S CA 0.505 58.720 58.200 0.025 0.000 0.919 106 S CB 0.108 63.320 63.200 0.020 0.000 0.778 106 S HN 0.425 nan 8.310 nan 0.000 0.523 107 K N -0.057 120.354 120.400 0.017 0.000 2.544 107 K HA 0.319 4.639 4.320 0.000 0.000 0.213 107 K C 0.710 177.318 176.600 0.013 0.000 1.392 107 K CA 0.121 56.416 56.287 0.013 0.000 0.980 107 K CB 0.876 33.382 32.500 0.010 0.000 1.177 107 K HN 0.235 nan 8.250 nan 0.000 0.570 108 S N -0.253 115.456 115.700 0.016 0.000 2.677 108 S HA 0.549 5.019 4.470 0.000 0.000 0.290 108 S C -1.132 173.482 174.600 0.022 0.000 1.124 108 S CA -0.509 57.700 58.200 0.015 0.000 1.017 108 S CB 1.505 64.712 63.200 0.012 0.000 1.215 108 S HN 0.316 nan 8.310 nan 0.000 0.524 109 C N 1.592 120.905 119.300 0.021 0.000 3.146 109 C HA 0.490 4.950 4.460 0.000 0.000 0.405 109 C C -1.020 173.984 174.990 0.024 0.000 1.012 109 C CA -0.653 58.384 59.018 0.031 0.000 1.217 109 C CB 0.100 27.860 27.740 0.033 0.000 1.599 109 C HN 0.719 nan 8.230 nan 0.000 0.567 110 L N 5.199 126.433 121.223 0.018 0.000 3.066 110 L HA 0.302 4.642 4.340 0.000 0.000 0.265 110 L C 2.120 178.999 176.870 0.014 0.000 1.232 110 L CA 1.088 55.931 54.840 0.004 0.000 1.031 110 L CB -0.525 41.515 42.059 -0.031 0.000 1.379 110 L HN 1.120 nan 8.230 nan 0.000 0.563 111 G N 1.067 109.898 108.800 0.052 0.000 2.562 111 G HA2 -0.324 3.636 3.960 0.000 0.000 0.223 111 G HA3 -0.324 3.636 3.960 0.000 0.000 0.223 111 G C 1.352 176.315 174.900 0.105 0.000 1.102 111 G CA 1.413 46.567 45.100 0.090 0.000 0.742 111 G HN 0.541 nan 8.290 nan 0.000 0.587 112 S N -0.511 115.245 115.700 0.093 0.000 2.572 112 S HA 0.412 4.882 4.470 0.000 0.000 0.228 112 S C 0.554 175.219 174.600 0.108 0.000 0.963 112 S CA -0.677 57.597 58.200 0.123 0.000 0.939 112 S CB 0.152 63.416 63.200 0.107 0.000 0.804 112 S HN 0.043 nan 8.310 nan 0.000 0.480 113 I N 2.214 122.823 120.570 0.064 0.000 2.395 113 I HA 0.252 4.422 4.170 0.000 0.000 0.289 113 I C 1.490 177.650 176.117 0.072 0.000 1.023 113 I CA -0.147 61.183 61.300 0.050 0.000 1.350 113 I CB 0.755 38.754 38.000 -0.002 0.000 1.409 113 I HN 0.301 nan 8.210 nan 0.000 0.507 114 M N 4.545 124.220 119.600 0.126 0.000 2.077 114 M HA -0.086 4.394 4.480 0.000 0.000 0.261 114 M C 0.380 176.753 176.300 0.122 0.000 1.070 114 M CA 1.601 57.023 55.300 0.203 0.000 1.125 114 M CB 0.030 32.786 32.600 0.261 0.000 1.339 114 M HN 0.504 nan 8.290 nan 0.000 0.409 115 N N 1.317 120.076 118.700 0.098 0.000 3.012 115 N HA 0.308 5.048 4.740 0.000 0.000 0.270 115 N C -2.481 173.005 175.510 -0.040 0.000 1.469 115 N CA -0.803 52.281 53.050 0.058 0.000 0.928 115 N CB 0.342 38.946 38.487 0.195 0.000 1.219 115 N HN 0.255 nan 8.380 nan 0.000 0.492 116 P HA 0.196 nan 4.420 nan 0.000 0.275 116 P C 0.531 177.755 177.300 -0.127 0.000 1.228 116 P CA -0.306 62.712 63.100 -0.138 0.000 0.786 116 P CB 1.925 33.497 31.700 -0.213 0.000 0.927 117 K N 0.819 121.168 120.400 -0.085 0.000 2.211 117 K HA -0.105 4.215 4.320 0.000 0.000 0.204 117 K C 1.945 178.506 176.600 -0.065 0.000 1.047 117 K CA 1.849 58.102 56.287 -0.056 0.000 0.935 117 K CB -0.340 32.135 32.500 -0.042 0.000 0.728 117 K HN 0.542 nan 8.250 nan 0.000 0.452 118 S N 0.423 116.047 115.700 -0.127 0.000 2.474 118 S HA -0.062 4.408 4.470 0.000 0.000 0.235 118 S C 1.244 175.771 174.600 -0.121 0.000 0.997 118 S CA 0.694 58.805 58.200 -0.149 0.000 0.949 118 S CB 0.065 63.083 63.200 -0.303 0.000 0.766 118 S HN 0.072 nan 8.310 nan 0.000 0.517 119 L N 1.858 122.996 121.223 -0.142 0.000 3.066 119 L HA 0.460 4.800 4.340 0.000 0.000 0.265 119 L C -0.241 176.680 176.870 0.085 0.000 1.232 119 L CA 0.335 55.108 54.840 -0.112 0.000 1.031 119 L CB -0.113 41.707 42.059 -0.398 0.000 1.379 119 L HN 0.206 nan 8.230 nan 0.000 0.563 120 T N -0.730 113.925 114.554 0.167 0.000 2.876 120 T HA 0.604 4.954 4.350 0.000 0.000 0.289 120 T C -0.507 174.269 174.700 0.125 0.000 1.014 120 T CA -0.625 61.594 62.100 0.198 0.000 0.986 120 T CB 2.693 71.618 68.868 0.095 0.000 1.021 120 T HN -0.105 nan 8.240 nan 0.000 0.458 121 R N 1.289 121.838 120.500 0.082 0.000 2.467 121 R HA 0.636 4.976 4.340 0.000 0.000 0.299 121 R C 0.262 176.556 176.300 -0.011 0.000 1.120 121 R CA -0.335 55.718 56.100 -0.079 0.000 0.940 121 R CB 0.457 30.591 30.300 -0.276 0.000 1.161 121 R HN 0.883 nan 8.270 nan 0.000 0.506 122 G N 2.948 111.736 108.800 -0.020 0.000 2.543 122 G HA2 0.440 4.400 3.960 0.000 0.000 0.267 122 G HA3 0.440 4.400 3.960 0.000 0.000 0.267 122 G C -2.028 172.865 174.900 -0.012 0.000 1.406 122 G CA -1.199 43.893 45.100 -0.013 0.000 1.048 122 G HN 0.487 nan 8.290 nan 0.000 0.548 123 P HA 0.289 nan 4.420 nan 0.000 0.270 123 P C -0.062 177.239 177.300 0.002 0.000 1.227 123 P CA 0.120 63.222 63.100 0.004 0.000 0.788 123 P CB 0.653 32.356 31.700 0.005 0.000 0.926 124 R N 0.333 120.840 120.500 0.011 0.000 3.045 124 R HA 0.441 4.781 4.340 0.000 0.000 0.245 124 R C -0.320 175.982 176.300 0.003 0.000 1.333 124 R CA -0.577 55.525 56.100 0.003 0.000 1.036 124 R CB 1.226 31.527 30.300 0.001 0.000 1.340 124 R HN 0.367 nan 8.270 nan 0.000 0.488 125 D N -0.716 119.681 120.400 -0.006 0.000 2.411 125 D HA 0.144 4.784 4.640 0.000 0.000 0.374 125 D C -1.085 175.202 176.300 -0.022 0.000 1.187 125 D CA 0.359 54.350 54.000 -0.014 0.000 0.928 125 D CB 1.030 41.825 40.800 -0.010 0.000 1.402 125 D HN 0.247 nan 8.370 nan 0.000 0.478 126 K N 0.682 121.072 120.400 -0.017 0.000 2.551 126 K HA 0.491 4.811 4.320 0.000 0.000 0.269 126 K C -2.903 173.691 176.600 -0.010 0.000 0.949 126 K CA -1.503 54.775 56.287 -0.016 0.000 0.849 126 K CB 2.674 35.166 32.500 -0.012 0.000 1.411 126 K HN -0.286 nan 8.250 nan 0.000 0.432 127 P HA -0.030 nan 4.420 nan 0.000 0.271 127 P C -0.702 176.599 177.300 0.002 0.000 1.233 127 P CA -0.036 63.066 63.100 0.003 0.000 0.795 127 P CB 0.319 32.025 31.700 0.011 0.000 0.936 128 T N 3.262 117.820 114.554 0.006 0.000 2.743 128 T HA 0.169 4.519 4.350 0.000 0.000 0.290 128 T C -2.161 172.541 174.700 0.004 0.000 0.908 128 T CA -0.890 61.213 62.100 0.006 0.000 1.092 128 T CB -0.641 68.236 68.868 0.014 0.000 0.882 128 T HN 0.275 nan 8.240 nan 0.000 0.531 129 P HA -0.076 nan 4.420 nan 0.000 0.248 129 P C 1.228 178.515 177.300 -0.021 0.000 1.127 129 P CA -0.006 63.087 63.100 -0.013 0.000 0.801 129 P CB 0.151 31.840 31.700 -0.019 0.000 0.732 130 L N 3.941 125.157 121.223 -0.012 0.000 2.151 130 L HA -0.266 4.074 4.340 0.000 0.000 0.219 130 L C 2.288 179.134 176.870 -0.040 0.000 1.083 130 L CA 2.215 57.045 54.840 -0.016 0.000 0.782 130 L CB -1.426 40.626 42.059 -0.011 0.000 0.891 130 L HN 0.502 nan 8.230 nan 0.000 0.439 131 E N 1.020 121.192 120.200 -0.047 0.000 2.150 131 E HA -0.237 4.113 4.350 0.000 0.000 0.193 131 E C 1.600 178.131 176.600 -0.115 0.000 0.985 131 E CA 1.503 57.865 56.400 -0.064 0.000 0.814 131 E CB -0.331 29.339 29.700 -0.050 0.000 0.752 131 E HN 0.834 nan 8.360 nan 0.000 0.466 132 E N 0.273 120.391 120.200 -0.136 0.000 2.452 132 E HA 0.045 4.395 4.350 0.000 0.000 0.197 132 E C 2.076 178.464 176.600 -0.353 0.000 1.022 132 E CA -0.171 56.067 56.400 -0.269 0.000 0.890 132 E CB 0.025 29.624 29.700 -0.169 0.000 0.918 132 E HN 0.085 nan 8.360 nan 0.000 0.496 133 L N 1.184 122.326 121.223 -0.136 0.000 2.130 133 L HA 0.044 4.384 4.340 0.000 0.000 0.200 133 L C 2.103 178.972 176.870 -0.002 0.000 1.075 133 L CA 1.091 55.921 54.840 -0.016 0.000 0.768 133 L CB -0.758 41.322 42.059 0.036 0.000 0.933 133 L HN 0.322 nan 8.230 nan 0.000 0.451 134 L N 1.051 122.250 121.223 -0.041 0.000 2.042 134 L HA -0.123 4.217 4.340 0.000 0.000 0.210 134 L C -0.317 176.535 176.870 -0.030 0.000 1.076 134 L CA 2.004 56.815 54.840 -0.049 0.000 0.749 134 L CB -2.053 39.974 42.059 -0.053 0.000 0.893 134 L HN 0.178 nan 8.230 nan 0.000 0.432 135 P HA -0.105 nan 4.420 nan 0.000 0.219 135 P C 1.195 178.570 177.300 0.126 0.000 1.150 135 P CA 1.368 64.466 63.100 -0.003 0.000 0.814 135 P CB -0.067 31.597 31.700 -0.060 0.000 0.787 136 H N -0.991 118.117 119.070 0.064 0.000 2.395 136 H HA 0.047 4.603 4.556 0.000 0.000 0.299 136 H C 2.005 177.428 175.328 0.158 0.000 1.070 136 H CA 0.649 56.760 56.048 0.106 0.000 1.356 136 H CB -0.103 29.718 29.762 0.099 0.000 1.401 136 H HN 0.060 nan 8.280 nan 0.000 0.524 137 A N 1.368 124.336 122.820 0.246 0.000 1.858 137 A HA -0.151 4.169 4.320 0.000 0.000 0.216 137 A C 2.353 180.023 177.584 0.145 0.000 1.190 137 A CA 1.315 53.459 52.037 0.177 0.000 0.617 137 A CB -0.734 18.140 19.000 -0.210 0.000 0.827 137 A HN 0.298 nan 8.150 nan 0.000 0.443 138 I N -0.157 120.456 120.570 0.071 0.000 2.208 138 I HA -0.304 3.866 4.170 0.000 0.000 0.245 138 I C 2.551 178.746 176.117 0.129 0.000 1.097 138 I CA 1.915 63.258 61.300 0.070 0.000 1.363 138 I CB -0.533 37.493 38.000 0.044 0.000 1.051 138 I HN 0.559 nan 8.210 nan 0.000 0.413 139 E N 2.032 122.336 120.200 0.174 0.000 2.021 139 E HA -0.316 4.035 4.350 0.000 0.000 0.200 139 E C 2.120 178.857 176.600 0.228 0.000 1.015 139 E CA 1.976 58.492 56.400 0.193 0.000 0.824 139 E CB -0.830 29.003 29.700 0.221 0.000 0.762 139 E HN 0.367 nan 8.360 nan 0.000 0.454 140 F N 1.255 121.292 119.950 0.146 0.000 2.043 140 F HA -0.171 4.356 4.527 0.000 0.000 0.297 140 F C 2.224 178.119 175.800 0.158 0.000 1.121 140 F CA 2.139 60.242 58.000 0.171 0.000 1.199 140 F CB -0.827 38.300 39.000 0.213 0.000 0.968 140 F HN 0.154 nan 8.300 nan 0.000 0.478 141 I N 0.672 121.172 120.570 -0.117 0.000 2.300 141 I HA -0.416 3.754 4.170 0.000 0.000 0.252 141 I C 2.047 178.082 176.117 -0.137 0.000 1.119 141 I CA 1.624 62.780 61.300 -0.240 0.000 1.384 141 I CB -0.716 37.283 38.000 -0.000 0.000 1.062 141 I HN 0.332 nan 8.210 nan 0.000 0.426 142 N N 0.356 119.047 118.700 -0.015 0.000 2.300 142 N HA -0.183 4.557 4.740 0.000 0.000 0.179 142 N C 1.852 177.317 175.510 -0.075 0.000 1.016 142 N CA 0.893 53.962 53.050 0.032 0.000 0.876 142 N CB -0.131 38.450 38.487 0.156 0.000 0.979 142 N HN 0.542 nan 8.380 nan 0.000 0.432 143 Q N -0.105 119.652 119.800 -0.072 0.000 2.119 143 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 143 Q C 1.908 177.727 176.000 -0.301 0.000 0.972 143 Q CA 0.937 56.705 55.803 -0.058 0.000 0.847 143 Q CB -0.137 28.678 28.738 0.128 0.000 0.903 143 Q HN 0.320 nan 8.270 nan 0.000 0.433 144 Y N 0.512 120.370 120.300 -0.736 0.000 2.034 144 Y HA -0.304 4.246 4.550 0.000 0.000 0.269 144 Y C 1.535 176.682 175.900 -1.254 0.000 1.125 144 Y CA 2.106 59.449 58.100 -1.262 0.000 1.097 144 Y CB -0.912 36.751 38.460 -1.328 0.000 0.978 144 Y HN 0.172 nan 8.280 nan 0.000 0.480 145 Y N 0.150 120.221 120.300 -0.382 0.000 2.651 145 Y HA -0.059 4.492 4.550 0.000 0.000 0.293 145 Y C 2.357 178.094 175.900 -0.273 0.000 1.151 145 Y CA 1.106 59.021 58.100 -0.308 0.000 1.362 145 Y CB -0.749 37.443 38.460 -0.446 0.000 0.973 145 Y HN 0.318 nan 8.280 nan 0.000 0.561 146 G N -1.801 106.829 108.800 -0.283 0.000 2.986 146 G HA2 -0.065 3.895 3.960 0.000 0.000 0.213 146 G HA3 -0.065 3.895 3.960 0.000 0.000 0.213 146 G C 1.588 176.376 174.900 -0.187 0.000 1.156 146 G CA 0.560 45.594 45.100 -0.111 0.000 0.763 146 G HN 0.427 nan 8.290 nan 0.000 0.547 147 S N 0.673 116.059 115.700 -0.523 0.000 2.414 147 S HA 0.164 4.635 4.470 0.000 0.000 0.227 147 S C 0.721 175.178 174.600 -0.239 0.000 1.022 147 S CA -0.031 57.908 58.200 -0.435 0.000 0.958 147 S CB -0.359 62.362 63.200 -0.799 0.000 0.797 147 S HN 0.242 nan 8.310 nan 0.000 0.493 148 F N 1.836 121.694 119.950 -0.153 0.000 2.422 148 F HA 0.697 5.224 4.527 0.000 0.000 0.333 148 F C 0.139 175.922 175.800 -0.028 0.000 1.095 148 F CA -3.062 54.889 58.000 -0.081 0.000 1.038 148 F CB 0.427 39.362 39.000 -0.108 0.000 1.156 148 F HN -0.025 nan 8.300 nan 0.000 0.483 149 K N 2.314 122.845 120.400 0.219 0.000 2.455 149 K HA -0.041 4.279 4.320 0.000 0.000 0.269 149 K C 0.113 176.760 176.600 0.077 0.000 0.972 149 K CA 0.567 56.926 56.287 0.120 0.000 0.938 149 K CB 0.142 32.685 32.500 0.072 0.000 0.931 149 K HN 0.951 nan 8.250 nan 0.000 0.507 150 E N -0.284 119.948 120.200 0.053 0.000 2.452 150 E HA -0.256 4.094 4.350 0.000 0.000 0.155 150 E C -0.687 175.912 176.600 -0.002 0.000 1.746 150 E CA 0.357 56.768 56.400 0.018 0.000 0.636 150 E CB -1.909 27.783 29.700 -0.014 0.000 1.069 150 E HN 0.656 nan 8.360 nan 0.000 0.335 151 A N 2.916 125.783 122.820 0.079 0.000 2.536 151 A HA 0.036 4.356 4.320 0.000 0.000 0.234 151 A C 0.634 178.246 177.584 0.047 0.000 1.076 151 A CA 0.450 52.568 52.037 0.135 0.000 0.769 151 A CB 0.365 19.506 19.000 0.234 0.000 1.020 151 A HN 0.493 nan 8.150 nan 0.000 0.508 152 K N 2.130 122.582 120.400 0.085 0.000 2.997 152 K HA 0.208 4.528 4.320 0.000 0.000 0.249 152 K C 1.086 177.714 176.600 0.047 0.000 1.284 152 K CA -0.013 56.295 56.287 0.036 0.000 1.245 152 K CB -0.361 32.173 32.500 0.057 0.000 1.670 152 K HN 0.708 nan 8.250 nan 0.000 0.385 153 I N -1.701 118.905 120.570 0.060 0.000 2.231 153 I HA -0.446 3.724 4.170 0.000 0.000 0.251 153 I C 2.122 178.210 176.117 -0.048 0.000 1.076 153 I CA 1.731 63.049 61.300 0.029 0.000 1.347 153 I CB -0.447 37.557 38.000 0.006 0.000 1.038 153 I HN 0.462 nan 8.210 nan 0.000 0.429 154 E N 1.507 121.675 120.200 -0.053 0.000 2.033 154 E HA -0.198 4.152 4.350 0.000 0.000 0.189 154 E C 2.154 178.685 176.600 -0.116 0.000 0.979 154 E CA 1.051 57.406 56.400 -0.076 0.000 0.802 154 E CB -0.056 29.614 29.700 -0.051 0.000 0.763 154 E HN 0.567 nan 8.360 nan 0.000 0.449 155 E N -0.518 119.608 120.200 -0.124 0.000 2.204 155 E HA -0.230 4.120 4.350 0.000 0.000 0.195 155 E C 1.925 178.217 176.600 -0.514 0.000 0.990 155 E CA 0.983 57.270 56.400 -0.188 0.000 0.821 155 E CB -0.207 29.465 29.700 -0.045 0.000 0.750 155 E HN 0.475 nan 8.360 nan 0.000 0.477 156 H N 0.153 118.754 119.070 -0.782 0.000 2.293 156 H HA -0.141 4.415 4.556 0.000 0.000 0.300 156 H C 2.084 177.119 175.328 -0.488 0.000 1.082 156 H CA 1.084 56.521 56.048 -1.018 0.000 1.308 156 H CB 0.193 29.668 29.762 -0.478 0.000 1.375 156 H HN 0.035 nan 8.280 nan 0.000 0.495 157 L N 0.699 121.776 121.223 -0.243 0.000 2.027 157 L HA -0.100 4.240 4.340 0.000 0.000 0.206 157 L C 2.995 179.784 176.870 -0.134 0.000 1.074 157 L CA 1.430 56.148 54.840 -0.204 0.000 0.745 157 L CB -0.798 41.151 42.059 -0.184 0.000 0.898 157 L HN 0.400 nan 8.230 nan 0.000 0.433 158 A N -0.275 122.467 122.820 -0.130 0.000 1.884 158 A HA -0.329 3.991 4.320 0.000 0.000 0.219 158 A C 2.433 179.973 177.584 -0.073 0.000 1.197 158 A CA 2.393 54.378 52.037 -0.088 0.000 0.637 158 A CB -0.609 18.345 19.000 -0.077 0.000 0.827 158 A HN 0.319 nan 8.150 nan 0.000 0.450 159 R N -0.168 120.266 120.500 -0.110 0.000 2.070 159 R HA -0.027 4.313 4.340 0.000 0.000 0.232 159 R C 2.056 178.343 176.300 -0.021 0.000 1.138 159 R CA 1.888 57.962 56.100 -0.043 0.000 0.936 159 R CB -1.126 29.157 30.300 -0.029 0.000 0.839 159 R HN 0.512 nan 8.270 nan 0.000 0.429 160 L N 0.432 121.641 121.223 -0.024 0.000 2.010 160 L HA -0.295 4.045 4.340 0.000 0.000 0.219 160 L C 2.626 179.474 176.870 -0.036 0.000 1.077 160 L CA 2.280 57.117 54.840 -0.006 0.000 0.773 160 L CB -0.597 41.457 42.059 -0.009 0.000 0.892 160 L HN 0.472 nan 8.230 nan 0.000 0.436 161 E N -0.320 119.852 120.200 -0.048 0.000 2.007 161 E HA -0.265 4.085 4.350 0.000 0.000 0.194 161 E C 2.190 178.771 176.600 -0.032 0.000 0.999 161 E CA 1.209 57.583 56.400 -0.043 0.000 0.811 161 E CB -0.109 29.563 29.700 -0.047 0.000 0.762 161 E HN 0.446 nan 8.360 nan 0.000 0.450 162 A N 0.679 123.484 122.820 -0.024 0.000 1.881 162 A HA -0.273 4.047 4.320 0.000 0.000 0.219 162 A C 2.450 180.031 177.584 -0.004 0.000 1.215 162 A CA 2.445 54.478 52.037 -0.006 0.000 0.648 162 A CB -1.222 17.782 19.000 0.007 0.000 0.832 162 A HN 0.262 nan 8.150 nan 0.000 0.455 163 V N -0.462 119.443 119.914 -0.016 0.000 2.233 163 V HA -0.274 3.846 4.120 0.000 0.000 0.247 163 V C 2.682 178.712 176.094 -0.107 0.000 1.050 163 V CA 2.581 64.846 62.300 -0.058 0.000 1.010 163 V CB -1.710 30.048 31.823 -0.108 0.000 0.637 163 V HN 0.645 nan 8.190 nan 0.000 0.444 164 T N 0.118 114.614 114.554 -0.096 0.000 2.620 164 T HA -0.329 4.021 4.350 0.000 0.000 0.267 164 T C 1.876 176.542 174.700 -0.056 0.000 1.044 164 T CA 2.215 64.263 62.100 -0.085 0.000 1.161 164 T CB -0.373 68.460 68.868 -0.058 0.000 0.862 164 T HN 0.519 nan 8.240 nan 0.000 0.438 165 K N 0.708 121.088 120.400 -0.034 0.000 2.032 165 K HA -0.167 4.153 4.320 0.000 0.000 0.209 165 K C 2.478 179.078 176.600 -0.000 0.000 1.048 165 K CA 1.663 57.941 56.287 -0.014 0.000 0.927 165 K CB -0.227 32.269 32.500 -0.006 0.000 0.712 165 K HN 0.532 nan 8.250 nan 0.000 0.441 166 E N 1.307 121.514 120.200 0.011 0.000 2.153 166 E HA -0.192 4.158 4.350 0.000 0.000 0.194 166 E C 1.853 178.484 176.600 0.052 0.000 0.988 166 E CA 1.067 57.494 56.400 0.046 0.000 0.811 166 E CB -0.041 29.711 29.700 0.087 0.000 0.746 166 E HN 0.303 nan 8.360 nan 0.000 0.466 167 I N 0.756 121.330 120.570 0.006 0.000 2.286 167 I HA -0.178 3.992 4.170 0.000 0.000 0.245 167 I C 2.117 178.239 176.117 0.008 0.000 1.104 167 I CA 1.097 62.398 61.300 0.002 0.000 1.397 167 I CB -0.332 37.601 38.000 -0.111 0.000 1.072 167 I HN 0.122 nan 8.210 nan 0.000 0.417 168 E N 0.778 120.974 120.200 -0.007 0.000 2.152 168 E HA -0.144 4.206 4.350 0.000 0.000 0.192 168 E C 2.187 178.793 176.600 0.009 0.000 0.983 168 E CA 1.832 58.230 56.400 -0.003 0.000 0.818 168 E CB -0.134 29.559 29.700 -0.011 0.000 0.758 168 E HN 0.609 nan 8.360 nan 0.000 0.467 169 T N -0.641 113.922 114.554 0.015 0.000 2.770 169 T HA -0.097 4.253 4.350 0.000 0.000 0.263 169 T C 2.160 176.878 174.700 0.029 0.000 1.039 169 T CA 1.604 63.717 62.100 0.021 0.000 1.142 169 T CB -0.408 68.474 68.868 0.024 0.000 0.868 169 T HN 0.199 nan 8.240 nan 0.000 0.435 170 T N -2.727 111.852 114.554 0.042 0.000 3.040 170 T HA 0.613 4.963 4.350 0.000 0.000 0.266 170 T C 1.649 176.382 174.700 0.055 0.000 1.005 170 T CA 0.525 62.654 62.100 0.048 0.000 0.906 170 T CB 0.334 69.237 68.868 0.058 0.000 1.082 170 T HN 0.838 nan 8.240 nan 0.000 0.531 171 G N 1.513 110.347 108.800 0.056 0.000 4.951 171 G HA2 -0.319 3.641 3.960 0.000 0.000 0.295 171 G HA3 -0.319 3.641 3.960 0.000 0.000 0.295 171 G C 0.425 175.395 174.900 0.116 0.000 1.540 171 G CA 0.180 45.318 45.100 0.063 0.000 1.044 171 G HN 0.831 nan 8.290 nan 0.000 0.731 172 T N 1.392 116.018 114.554 0.121 0.000 2.724 172 T HA 0.493 4.843 4.350 0.000 0.000 0.324 172 T C -0.138 174.723 174.700 0.268 0.000 1.071 172 T CA 1.349 63.549 62.100 0.167 0.000 1.061 172 T CB 0.154 69.064 68.868 0.071 0.000 0.990 172 T HN 1.762 nan 8.240 nan 0.000 0.543 173 Y N -0.162 120.158 120.300 0.034 0.000 2.558 173 Y HA 0.566 5.116 4.550 0.000 0.000 0.333 173 Y C -1.049 174.890 175.900 0.064 0.000 1.125 173 Y CA -1.429 56.701 58.100 0.050 0.000 1.039 173 Y CB 0.736 39.232 38.460 0.060 0.000 1.331 173 Y HN 0.382 nan 8.280 nan 0.000 0.456 174 Q N 3.190 122.995 119.800 0.009 0.000 2.260 174 Q HA 0.432 4.772 4.340 0.000 0.000 0.242 174 Q C -0.768 175.228 176.000 -0.006 0.000 0.932 174 Q CA -0.764 55.005 55.803 -0.056 0.000 0.891 174 Q CB 2.180 30.940 28.738 0.037 0.000 1.222 174 Q HN 0.696 nan 8.270 nan 0.000 0.453 175 L N 1.604 122.828 121.223 0.001 0.000 2.357 175 L HA 0.318 4.658 4.340 0.000 0.000 0.273 175 L C 0.842 177.785 176.870 0.121 0.000 1.080 175 L CA -0.243 54.666 54.840 0.114 0.000 0.803 175 L CB 1.172 43.326 42.059 0.158 0.000 1.174 175 L HN 0.733 nan 8.230 nan 0.000 0.443 176 T N -0.205 114.429 114.554 0.133 0.000 2.907 176 T HA 0.117 4.467 4.350 0.000 0.000 0.298 176 T C 1.427 176.202 174.700 0.125 0.000 1.017 176 T CA -0.652 61.513 62.100 0.107 0.000 1.118 176 T CB 0.998 69.917 68.868 0.085 0.000 0.948 176 T HN 0.482 nan 8.240 nan 0.000 0.531 177 L N 1.494 122.773 121.223 0.093 0.000 2.103 177 L HA -0.167 4.173 4.340 0.000 0.000 0.215 177 L C 2.096 179.036 176.870 0.117 0.000 1.080 177 L CA 2.389 57.275 54.840 0.077 0.000 0.764 177 L CB -1.250 40.837 42.059 0.046 0.000 0.890 177 L HN 0.964 nan 8.230 nan 0.000 0.435 178 D N -0.469 120.024 120.400 0.155 0.000 2.264 178 D HA -0.193 4.447 4.640 0.000 0.000 0.208 178 D C 1.806 178.315 176.300 0.349 0.000 0.966 178 D CA 0.944 55.068 54.000 0.207 0.000 0.864 178 D CB 0.317 41.253 40.800 0.227 0.000 0.933 178 D HN 0.594 nan 8.370 nan 0.000 0.499 179 E N -0.065 120.389 120.200 0.425 0.000 2.033 179 E HA -0.129 4.221 4.350 0.000 0.000 0.189 179 E C 2.104 179.013 176.600 0.516 0.000 0.979 179 E CA 0.139 56.933 56.400 0.657 0.000 0.802 179 E CB -0.080 29.916 29.700 0.494 0.000 0.763 179 E HN 0.117 nan 8.360 nan 0.000 0.449 180 L N 1.295 122.688 121.223 0.283 0.000 2.081 180 L HA -0.204 4.136 4.340 0.000 0.000 0.212 180 L C 1.978 178.914 176.870 0.110 0.000 1.080 180 L CA 1.428 56.342 54.840 0.124 0.000 0.754 180 L CB -0.383 41.678 42.059 0.002 0.000 0.893 180 L HN 0.077 nan 8.230 nan 0.000 0.433 181 I N -1.198 119.456 120.570 0.141 0.000 2.142 181 I HA -0.301 3.869 4.170 0.000 0.000 0.240 181 I C 2.338 178.552 176.117 0.162 0.000 1.078 181 I CA 1.595 62.959 61.300 0.106 0.000 1.343 181 I CB -0.839 37.215 38.000 0.091 0.000 1.046 181 I HN 0.280 nan 8.210 nan 0.000 0.405 182 F N 0.878 120.881 119.950 0.088 0.000 2.202 182 F HA -0.257 4.270 4.527 0.000 0.000 0.301 182 F C 2.332 178.231 175.800 0.164 0.000 1.082 182 F CA 1.365 59.420 58.000 0.091 0.000 1.313 182 F CB -0.148 38.849 39.000 -0.004 0.000 1.024 182 F HN 0.068 nan 8.300 nan 0.000 0.495 183 A N -0.373 122.588 122.820 0.235 0.000 1.898 183 A HA -0.173 4.147 4.320 0.000 0.000 0.216 183 A C 2.250 179.782 177.584 -0.086 0.000 1.181 183 A CA 2.125 54.159 52.037 -0.004 0.000 0.620 183 A CB -1.453 17.488 19.000 -0.099 0.000 0.819 183 A HN 0.490 nan 8.150 nan 0.000 0.442 184 T N -1.787 112.762 114.554 -0.009 0.000 2.812 184 T HA -0.077 4.273 4.350 0.000 0.000 0.264 184 T C 1.792 176.578 174.700 0.143 0.000 1.042 184 T CA 1.507 63.652 62.100 0.075 0.000 1.140 184 T CB -0.331 68.606 68.868 0.115 0.000 0.870 184 T HN 0.465 nan 8.240 nan 0.000 0.445 185 K N -0.042 120.413 120.400 0.091 0.000 2.283 185 K HA 0.138 4.458 4.320 0.000 0.000 0.202 185 K C 2.114 178.755 176.600 0.068 0.000 1.048 185 K CA 1.061 57.432 56.287 0.140 0.000 0.948 185 K CB -0.209 32.322 32.500 0.052 0.000 0.742 185 K HN 0.234 nan 8.250 nan 0.000 0.458 186 M N 0.253 119.757 119.600 -0.159 0.000 2.216 186 M HA 0.075 4.555 4.480 0.000 0.000 0.264 186 M C 2.027 178.214 176.300 -0.188 0.000 1.080 186 M CA 1.089 56.220 55.300 -0.282 0.000 1.153 186 M CB -0.263 32.064 32.600 -0.455 0.000 1.356 186 M HN 0.116 nan 8.290 nan 0.000 0.432 187 A N -0.436 122.259 122.820 -0.208 0.000 1.851 187 A HA -0.245 4.075 4.320 0.000 0.000 0.216 187 A C 2.026 179.527 177.584 -0.138 0.000 1.195 187 A CA 2.078 53.887 52.037 -0.380 0.000 0.622 187 A CB -1.774 16.651 19.000 -0.958 0.000 0.831 187 A HN 0.781 nan 8.150 nan 0.000 0.444 188 W N 1.060 122.367 121.300 0.011 0.000 2.321 188 W HA -0.223 4.437 4.660 0.000 0.000 0.306 188 W C 2.272 178.761 176.519 -0.050 0.000 1.217 188 W CA 1.903 59.298 57.345 0.083 0.000 1.257 188 W CB -0.764 28.711 29.460 0.025 0.000 1.145 188 W HN 0.382 nan 8.180 nan 0.000 0.509 189 R N 0.301 120.721 120.500 -0.133 0.000 2.127 189 R HA -0.161 4.179 4.340 0.000 0.000 0.238 189 R C 0.777 176.947 176.300 -0.215 0.000 1.134 189 R CA 1.716 57.614 56.100 -0.338 0.000 0.975 189 R CB -0.557 29.457 30.300 -0.476 0.000 0.865 189 R HN 0.122 nan 8.270 nan 0.000 0.447 190 N N 0.149 118.759 118.700 -0.149 0.000 2.376 190 N HA 0.096 4.836 4.740 0.000 0.000 0.249 190 N C -1.153 174.275 175.510 -0.136 0.000 1.140 190 N CA 0.172 53.163 53.050 -0.099 0.000 0.870 190 N CB 1.560 40.041 38.487 -0.009 0.000 1.124 190 N HN 0.118 nan 8.380 nan 0.000 0.505 191 A N 2.080 124.828 122.820 -0.119 0.000 2.650 191 A HA 0.301 4.621 4.320 0.000 0.000 0.320 191 A C -0.971 176.558 177.584 -0.090 0.000 1.466 191 A CA -1.268 50.660 52.037 -0.181 0.000 1.099 191 A CB 0.507 19.494 19.000 -0.023 0.000 1.136 191 A HN -0.015 nan 8.150 nan 0.000 0.532 192 P HA -0.207 nan 4.420 nan 0.000 0.221 192 P C 0.825 178.093 177.300 -0.053 0.000 1.141 192 P CA 1.219 64.293 63.100 -0.043 0.000 0.794 192 P CB 0.212 31.903 31.700 -0.016 0.000 0.764 193 R N -1.670 118.772 120.500 -0.097 0.000 2.334 193 R HA 0.137 4.477 4.340 0.000 0.000 0.212 193 R C 0.871 177.194 176.300 0.039 0.000 0.897 193 R CA -0.186 55.884 56.100 -0.049 0.000 1.056 193 R CB -0.188 29.947 30.300 -0.275 0.000 1.046 193 R HN 0.176 nan 8.270 nan 0.000 0.513 194 C N 1.079 120.379 119.300 -0.000 0.000 2.499 194 C HA 0.266 4.726 4.460 0.000 0.000 0.386 194 C C 1.767 176.698 174.990 -0.099 0.000 1.293 194 C CA -0.582 58.446 59.018 0.017 0.000 1.884 194 C CB -0.559 27.260 27.740 0.131 0.000 2.509 194 C HN 0.548 nan 8.230 nan 0.000 0.566 195 I N 4.159 124.642 120.570 -0.145 0.000 3.728 195 I HA 0.227 4.397 4.170 0.000 0.000 0.307 195 I C 1.655 177.801 176.117 0.047 0.000 1.276 195 I CA 0.755 61.885 61.300 -0.283 0.000 1.285 195 I CB 0.042 37.899 38.000 -0.237 0.000 1.038 195 I HN 0.921 nan 8.210 nan 0.000 0.445 196 G N 0.497 109.348 108.800 0.085 0.000 3.936 196 G HA2 0.138 4.098 3.960 0.000 0.000 0.296 196 G HA3 0.138 4.098 3.960 0.000 0.000 0.296 196 G C 0.985 175.976 174.900 0.152 0.000 1.121 196 G CA -0.409 44.758 45.100 0.112 0.000 0.899 196 G HN 0.201 nan 8.290 nan 0.000 0.542 197 R N 0.045 120.584 120.500 0.064 0.000 2.328 197 R HA 0.083 4.423 4.340 0.000 0.000 0.207 197 R C 1.852 177.756 176.300 -0.659 0.000 1.056 197 R CA 0.131 56.030 56.100 -0.334 0.000 1.016 197 R CB -0.133 29.934 30.300 -0.388 0.000 0.872 197 R HN 0.486 nan 8.270 nan 0.000 0.471 198 I N 1.102 121.439 120.570 -0.387 0.000 2.756 198 I HA -0.219 3.951 4.170 0.000 0.000 0.262 198 I C 1.471 177.596 176.117 0.014 0.000 1.225 198 I CA 1.168 62.405 61.300 -0.105 0.000 1.472 198 I CB 0.178 38.241 38.000 0.104 0.000 1.094 198 I HN 0.155 nan 8.210 nan 0.000 0.454 199 Q N 0.537 120.285 119.800 -0.087 0.000 2.402 199 Q HA -0.111 4.229 4.340 0.000 0.000 0.206 199 Q C 1.726 177.408 176.000 -0.530 0.000 0.919 199 Q CA 0.718 56.459 55.803 -0.103 0.000 0.923 199 Q CB -0.282 28.546 28.738 0.150 0.000 1.048 199 Q HN 0.784 nan 8.270 nan 0.000 0.515 200 W N 1.661 122.211 121.300 -1.252 0.000 2.200 200 W HA -0.337 4.323 4.660 0.000 0.000 0.328 200 W C 1.255 177.345 176.519 -0.714 0.000 1.343 200 W CA 1.826 58.102 57.345 -1.782 0.000 1.379 200 W CB -1.730 26.997 29.460 -1.221 0.000 1.102 200 W HN 0.196 nan 8.180 nan 0.000 0.501 201 S N 0.159 114.817 115.700 -1.737 0.000 2.607 201 S HA 0.006 4.476 4.470 0.000 0.000 0.224 201 S C 0.653 174.929 174.600 -0.541 0.000 0.969 201 S CA 0.350 57.736 58.200 -1.357 0.000 0.927 201 S CB -0.585 61.694 63.200 -1.536 0.000 0.772 201 S HN 0.278 nan 8.310 nan 0.000 0.533 202 N N 1.238 119.764 118.700 -0.290 0.000 2.976 202 N HA 0.455 5.195 4.740 0.000 0.000 0.255 202 N C -1.405 174.194 175.510 0.147 0.000 1.312 202 N CA -0.283 52.743 53.050 -0.040 0.000 0.897 202 N CB 0.843 39.340 38.487 0.016 0.000 1.184 202 N HN 0.394 nan 8.380 nan 0.000 0.497 203 L N 1.379 122.666 121.223 0.107 0.000 2.350 203 L HA 0.566 4.906 4.340 0.000 0.000 0.260 203 L C -0.845 176.029 176.870 0.007 0.000 1.015 203 L CA -0.647 54.274 54.840 0.134 0.000 0.821 203 L CB 2.140 44.338 42.059 0.231 0.000 1.370 203 L HN 0.152 nan 8.230 nan 0.000 0.416 204 Q N 1.912 121.684 119.800 -0.046 0.000 2.322 204 Q HA 0.636 4.977 4.340 0.000 0.000 0.265 204 Q C -1.922 173.845 176.000 -0.388 0.000 0.985 204 Q CA -0.434 55.197 55.803 -0.287 0.000 0.849 204 Q CB 1.739 30.249 28.738 -0.380 0.000 1.274 204 Q HN 0.496 nan 8.270 nan 0.000 0.449 205 V N 5.541 125.181 119.914 -0.456 0.000 2.370 205 V HA 0.489 4.610 4.120 0.000 0.000 0.283 205 V C -0.873 174.915 176.094 -0.511 0.000 1.023 205 V CA -0.531 61.564 62.300 -0.343 0.000 0.857 205 V CB 0.720 32.441 31.823 -0.170 0.000 0.985 205 V HN 0.678 nan 8.190 nan 0.000 0.443 206 F N 2.698 122.583 119.950 -0.110 0.000 2.332 206 F HA 0.361 4.889 4.527 0.000 0.000 0.368 206 F C 0.474 176.149 175.800 -0.208 0.000 1.110 206 F CA -0.988 56.934 58.000 -0.131 0.000 1.087 206 F CB 1.142 40.091 39.000 -0.085 0.000 1.235 206 F HN 0.434 nan 8.300 nan 0.000 0.470 207 D N 3.530 123.913 120.400 -0.029 0.000 2.402 207 D HA 0.279 4.919 4.640 0.000 0.000 0.235 207 D C 0.301 176.494 176.300 -0.179 0.000 1.226 207 D CA 0.196 54.121 54.000 -0.124 0.000 0.918 207 D CB 0.938 41.696 40.800 -0.070 0.000 1.043 207 D HN 0.599 nan 8.370 nan 0.000 0.506 208 A N 4.598 127.162 122.820 -0.427 0.000 2.610 208 A HA 0.145 4.465 4.320 0.000 0.000 0.286 208 A C 1.603 178.934 177.584 -0.421 0.000 1.306 208 A CA -0.425 51.213 52.037 -0.664 0.000 0.942 208 A CB -0.070 18.032 19.000 -1.496 0.000 1.112 208 A HN 0.507 nan 8.150 nan 0.000 0.527 209 R N 0.928 121.277 120.500 -0.251 0.000 2.395 209 R HA -0.082 4.259 4.340 0.000 0.000 0.203 209 R C 0.562 176.800 176.300 -0.103 0.000 1.076 209 R CA 1.276 57.288 56.100 -0.148 0.000 1.059 209 R CB -0.273 29.989 30.300 -0.064 0.000 0.860 209 R HN 0.885 nan 8.270 nan 0.000 0.476 210 N N -1.677 116.970 118.700 -0.088 0.000 2.194 210 N HA 0.022 4.762 4.740 0.000 0.000 0.231 210 N C 0.364 175.897 175.510 0.039 0.000 1.247 210 N CA -0.528 52.515 53.050 -0.011 0.000 0.884 210 N CB 0.181 38.683 38.487 0.025 0.000 1.146 210 N HN -0.041 nan 8.380 nan 0.000 0.516 211 C N 1.406 120.712 119.300 0.010 0.000 2.779 211 C HA 0.286 4.746 4.460 0.000 0.000 0.334 211 C C 1.742 176.891 174.990 0.265 0.000 1.406 211 C CA 1.085 60.208 59.018 0.175 0.000 2.281 211 C CB 0.608 28.500 27.740 0.254 0.000 2.437 211 C HN 0.683 nan 8.230 nan 0.000 0.748 212 S N -0.992 114.935 115.700 0.379 0.000 2.342 212 S HA 0.147 4.617 4.470 0.000 0.000 0.229 212 S C -0.166 174.562 174.600 0.212 0.000 0.900 212 S CA 0.449 58.866 58.200 0.362 0.000 1.610 212 S CB -0.754 62.568 63.200 0.204 0.000 1.250 212 S HN 1.334 nan 8.310 nan 0.000 0.610 213 T N -1.033 113.650 114.554 0.214 0.000 2.903 213 T HA 0.869 5.219 4.350 0.000 0.000 0.299 213 T C 1.268 176.060 174.700 0.152 0.000 1.093 213 T CA -0.172 62.002 62.100 0.124 0.000 1.002 213 T CB 1.427 70.361 68.868 0.110 0.000 1.127 213 T HN 0.541 nan 8.240 nan 0.000 0.488 214 A N 1.162 124.050 122.820 0.113 0.000 1.873 214 A HA -0.140 4.180 4.320 0.000 0.000 0.218 214 A C 2.325 180.095 177.584 0.310 0.000 1.193 214 A CA 1.613 53.775 52.037 0.208 0.000 0.629 214 A CB -1.143 17.976 19.000 0.197 0.000 0.826 214 A HN 0.843 nan 8.150 nan 0.000 0.447 215 Q N -0.433 119.538 119.800 0.286 0.000 2.133 215 Q HA -0.251 4.089 4.340 0.000 0.000 0.208 215 Q C 1.955 177.996 176.000 0.068 0.000 0.991 215 Q CA 2.128 58.005 55.803 0.123 0.000 0.867 215 Q CB -0.356 28.460 28.738 0.129 0.000 0.911 215 Q HN 0.828 nan 8.270 nan 0.000 0.417 216 E N -0.489 119.799 120.200 0.146 0.000 2.150 216 E HA -0.121 4.229 4.350 0.000 0.000 0.193 216 E C 2.102 178.908 176.600 0.343 0.000 0.985 216 E CA 0.700 57.218 56.400 0.198 0.000 0.814 216 E CB -0.029 29.829 29.700 0.263 0.000 0.752 216 E HN 0.359 nan 8.360 nan 0.000 0.466 217 M N 0.002 119.796 119.600 0.323 0.000 2.064 217 M HA -0.133 4.347 4.480 0.000 0.000 0.260 217 M C 2.200 178.662 176.300 0.270 0.000 1.073 217 M CA 1.122 56.618 55.300 0.325 0.000 1.124 217 M CB -0.352 32.292 32.600 0.075 0.000 1.326 217 M HN 0.115 nan 8.290 nan 0.000 0.410 218 F N 1.613 121.525 119.950 -0.063 0.000 2.287 218 F HA -0.251 4.276 4.527 0.000 0.000 0.301 218 F C 2.016 177.708 175.800 -0.181 0.000 1.069 218 F CA 1.642 59.493 58.000 -0.249 0.000 1.372 218 F CB -0.453 37.983 39.000 -0.941 0.000 1.056 218 F HN 0.250 nan 8.300 nan 0.000 0.523 219 Q N -1.703 117.970 119.800 -0.211 0.000 2.165 219 Q HA -0.086 4.254 4.340 0.000 0.000 0.197 219 Q C 2.126 178.006 176.000 -0.201 0.000 0.952 219 Q CA 0.866 56.467 55.803 -0.338 0.000 0.848 219 Q CB -0.363 28.197 28.738 -0.297 0.000 0.931 219 Q HN 0.480 nan 8.270 nan 0.000 0.470 220 H N 0.564 119.619 119.070 -0.024 0.000 2.421 220 H HA -0.056 4.500 4.556 0.000 0.000 0.298 220 H C 2.083 177.396 175.328 -0.026 0.000 1.087 220 H CA 1.149 57.182 56.048 -0.024 0.000 1.330 220 H CB 0.197 30.013 29.762 0.089 0.000 1.388 220 H HN 0.242 nan 8.280 nan 0.000 0.526 221 I N -0.131 120.560 120.570 0.201 0.000 2.163 221 I HA -0.281 3.889 4.170 0.000 0.000 0.240 221 I C 2.714 178.867 176.117 0.060 0.000 1.081 221 I CA 0.745 62.136 61.300 0.152 0.000 1.353 221 I CB -0.376 37.733 38.000 0.182 0.000 1.054 221 I HN 0.213 nan 8.210 nan 0.000 0.407 222 C N 0.565 119.831 119.300 -0.055 0.000 2.398 222 C HA -0.219 4.242 4.460 0.000 0.000 0.276 222 C C 3.002 177.933 174.990 -0.098 0.000 1.222 222 C CA 1.216 60.167 59.018 -0.112 0.000 1.746 222 C CB -1.298 26.269 27.740 -0.289 0.000 2.039 222 C HN 0.476 nan 8.230 nan 0.000 0.470 223 R N -0.176 120.233 120.500 -0.153 0.000 2.103 223 R HA -0.203 4.137 4.340 0.000 0.000 0.242 223 R C 2.402 178.577 176.300 -0.210 0.000 1.142 223 R CA 1.905 57.880 56.100 -0.208 0.000 0.960 223 R CB -0.706 29.401 30.300 -0.321 0.000 0.858 223 R HN 0.728 nan 8.270 nan 0.000 0.439 224 H N 0.663 119.559 119.070 -0.291 0.000 2.256 224 H HA -0.092 4.464 4.556 0.000 0.000 0.301 224 H C 2.233 177.569 175.328 0.013 0.000 1.062 224 H CA 2.237 58.177 56.048 -0.180 0.000 1.283 224 H CB -0.294 29.413 29.762 -0.092 0.000 1.379 224 H HN 0.205 nan 8.280 nan 0.000 0.493 225 I N 1.003 121.668 120.570 0.158 0.000 2.181 225 I HA -0.351 3.819 4.170 0.000 0.000 0.247 225 I C 2.991 179.119 176.117 0.018 0.000 1.081 225 I CA 1.154 62.511 61.300 0.095 0.000 1.340 225 I CB -0.344 37.703 38.000 0.079 0.000 1.036 225 I HN 0.326 nan 8.210 nan 0.000 0.417 226 L N -0.431 120.793 121.223 0.002 0.000 2.027 226 L HA -0.265 4.075 4.340 0.000 0.000 0.206 226 L C 2.710 179.581 176.870 0.001 0.000 1.074 226 L CA 1.736 56.570 54.840 -0.009 0.000 0.745 226 L CB -0.452 41.593 42.059 -0.024 0.000 0.898 226 L HN 0.281 nan 8.230 nan 0.000 0.433 227 Y N 0.529 120.780 120.300 -0.082 0.000 2.181 227 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 227 Y C 2.327 178.225 175.900 -0.003 0.000 1.146 227 Y CA 1.688 59.782 58.100 -0.010 0.000 1.164 227 Y CB -0.312 38.205 38.460 0.095 0.000 0.982 227 Y HN 0.178 nan 8.280 nan 0.000 0.515 228 A N -1.257 121.487 122.820 -0.127 0.000 2.119 228 A HA -0.041 4.279 4.320 0.000 0.000 0.216 228 A C 2.120 179.638 177.584 -0.111 0.000 1.152 228 A CA 1.647 53.584 52.037 -0.166 0.000 0.708 228 A CB -0.971 17.957 19.000 -0.119 0.000 0.805 228 A HN 0.493 nan 8.150 nan 0.000 0.460 229 T N -0.076 114.430 114.554 -0.079 0.000 2.851 229 T HA -0.060 4.290 4.350 0.000 0.000 0.262 229 T C 1.026 175.688 174.700 -0.063 0.000 1.043 229 T CA 0.990 63.072 62.100 -0.031 0.000 1.140 229 T CB -0.370 68.493 68.868 -0.007 0.000 0.872 229 T HN 0.631 nan 8.240 nan 0.000 0.446 230 N N 2.096 120.728 118.700 -0.113 0.000 2.698 230 N HA -0.274 4.466 4.740 0.000 0.000 0.258 230 N C 0.200 175.667 175.510 -0.073 0.000 0.978 230 N CA 0.908 53.887 53.050 -0.119 0.000 0.777 230 N CB -1.997 36.377 38.487 -0.189 0.000 0.907 230 N HN 0.618 nan 8.380 nan 0.000 0.543 231 N N -1.549 117.121 118.700 -0.051 0.000 2.741 231 N HA -0.261 4.479 4.740 0.000 0.000 0.251 231 N C 0.832 176.316 175.510 -0.043 0.000 1.112 231 N CA 1.138 54.163 53.050 -0.042 0.000 0.750 231 N CB -1.140 37.322 38.487 -0.041 0.000 1.119 231 N HN 1.041 nan 8.380 nan 0.000 0.561 232 G N -0.231 108.546 108.800 -0.037 0.000 2.218 232 G HA2 -0.280 3.680 3.960 0.000 0.000 0.216 232 G HA3 -0.280 3.680 3.960 0.000 0.000 0.216 232 G C -0.122 174.757 174.900 -0.036 0.000 0.994 232 G CA 0.219 45.299 45.100 -0.033 0.000 0.637 232 G HN 0.519 nan 8.290 nan 0.000 0.505 233 N N 2.050 120.718 118.700 -0.054 0.000 2.918 233 N HA 0.374 5.114 4.740 0.000 0.000 0.247 233 N C 0.894 176.366 175.510 -0.063 0.000 1.117 233 N CA -0.670 52.334 53.050 -0.076 0.000 1.005 233 N CB -0.294 38.148 38.487 -0.076 0.000 1.297 233 N HN 0.324 nan 8.380 nan 0.000 0.513 234 I N 1.562 122.118 120.570 -0.024 0.000 2.845 234 I HA -0.039 4.131 4.170 0.000 0.000 0.296 234 I C 0.832 177.036 176.117 0.145 0.000 1.216 234 I CA 0.666 62.012 61.300 0.077 0.000 1.438 234 I CB -0.264 37.869 38.000 0.221 0.000 1.342 234 I HN 0.331 nan 8.210 nan 0.000 0.577 235 R N 3.521 124.066 120.500 0.075 0.000 2.686 235 R HA 0.440 4.780 4.340 0.000 0.000 0.286 235 R C -0.555 175.820 176.300 0.124 0.000 0.969 235 R CA -0.699 55.454 56.100 0.089 0.000 0.898 235 R CB 2.132 32.327 30.300 -0.174 0.000 1.183 235 R HN 0.572 nan 8.270 nan 0.000 0.456 236 S N 1.215 116.998 115.700 0.138 0.000 2.523 236 S HA 0.602 5.072 4.470 0.000 0.000 0.275 236 S C -0.473 174.197 174.600 0.116 0.000 1.281 236 S CA -0.374 57.837 58.200 0.019 0.000 1.050 236 S CB 1.451 64.559 63.200 -0.153 0.000 0.937 236 S HN 0.687 nan 8.310 nan 0.000 0.492 237 A N 2.806 125.697 122.820 0.117 0.000 2.567 237 A HA 0.918 5.238 4.320 0.000 0.000 0.289 237 A C -1.307 176.516 177.584 0.398 0.000 1.177 237 A CA -0.705 51.463 52.037 0.219 0.000 0.694 237 A CB 1.188 20.386 19.000 0.330 0.000 1.292 237 A HN 0.795 nan 8.150 nan 0.000 0.425 238 I N -0.430 120.407 120.570 0.444 0.000 2.787 238 I HA 0.535 4.705 4.170 0.000 0.000 0.294 238 I C -1.537 174.741 176.117 0.268 0.000 1.365 238 I CA -0.144 61.352 61.300 0.327 0.000 1.029 238 I CB 2.436 40.538 38.000 0.170 0.000 1.313 238 I HN 0.589 nan 8.210 nan 0.000 0.431 239 T N 6.019 120.594 114.554 0.035 0.000 2.912 239 T HA 0.358 4.708 4.350 0.000 0.000 0.326 239 T C -0.572 173.900 174.700 -0.380 0.000 1.080 239 T CA -0.329 61.672 62.100 -0.164 0.000 1.000 239 T CB 1.152 69.837 68.868 -0.305 0.000 1.008 239 T HN 0.241 nan 8.240 nan 0.000 0.473 240 V N 4.885 124.573 119.914 -0.376 0.000 2.455 240 V HA 0.385 4.505 4.120 0.000 0.000 0.273 240 V C -0.124 175.634 176.094 -0.561 0.000 1.045 240 V CA -0.213 61.851 62.300 -0.393 0.000 0.976 240 V CB -0.327 31.217 31.823 -0.464 0.000 0.993 240 V HN 0.681 nan 8.190 nan 0.000 0.475 241 F N 5.224 125.070 119.950 -0.174 0.000 2.377 241 F HA 0.510 5.037 4.527 0.000 0.000 0.335 241 F C -1.847 173.817 175.800 -0.227 0.000 1.099 241 F CA -2.527 55.322 58.000 -0.252 0.000 1.072 241 F CB 0.371 39.241 39.000 -0.216 0.000 1.417 241 F HN 0.301 nan 8.300 nan 0.000 0.495 242 P HA -0.028 nan 4.420 nan 0.000 0.261 242 P C -0.868 176.456 177.300 0.039 0.000 1.173 242 P CA 0.059 62.985 63.100 -0.289 0.000 0.760 242 P CB 0.193 31.397 31.700 -0.827 0.000 0.783 243 Q N 3.550 123.442 119.800 0.154 0.000 2.677 243 Q HA 0.132 4.472 4.340 0.000 0.000 0.187 243 Q C 0.128 176.099 176.000 -0.049 0.000 1.146 243 Q CA -0.404 55.347 55.803 -0.088 0.000 1.224 243 Q CB 0.397 28.815 28.738 -0.535 0.000 1.268 243 Q HN 0.285 nan 8.270 nan 0.000 0.674 244 R N -0.203 120.203 120.500 -0.157 0.000 2.404 244 R HA 0.178 4.518 4.340 0.000 0.000 0.291 244 R C 0.051 176.345 176.300 -0.009 0.000 1.025 244 R CA 0.490 56.574 56.100 -0.026 0.000 0.991 244 R CB 1.055 31.322 30.300 -0.055 0.000 1.053 244 R HN 0.882 nan 8.270 nan 0.000 0.479 245 S N 2.539 118.281 115.700 0.070 0.000 3.049 245 S HA 0.064 4.534 4.470 0.000 0.000 0.182 245 S C 0.636 175.263 174.600 0.045 0.000 0.725 245 S CA 0.265 58.511 58.200 0.077 0.000 0.811 245 S CB -0.189 63.115 63.200 0.172 0.000 0.801 245 S HN 0.799 nan 8.310 nan 0.000 0.627 246 D N 0.582 121.004 120.400 0.037 0.000 2.838 246 D HA 0.427 5.067 4.640 0.000 0.000 0.245 246 D C 1.475 177.771 176.300 -0.007 0.000 1.424 246 D CA 0.756 54.746 54.000 -0.018 0.000 1.214 246 D CB -0.390 40.352 40.800 -0.096 0.000 0.937 246 D HN 0.571 nan 8.370 nan 0.000 0.232 247 G N -0.165 108.616 108.800 -0.031 0.000 2.610 247 G HA2 0.024 3.985 3.960 0.000 0.000 0.171 247 G HA3 0.024 3.985 3.960 0.000 0.000 0.171 247 G C 0.855 175.781 174.900 0.044 0.000 1.281 247 G CA -0.265 44.840 45.100 0.010 0.000 0.691 247 G HN 0.193 nan 8.290 nan 0.000 0.691 248 K N 1.066 121.464 120.400 -0.004 0.000 2.687 248 K HA 0.029 4.349 4.320 0.000 0.000 0.197 248 K C 0.130 176.869 176.600 0.232 0.000 1.018 248 K CA 0.433 56.765 56.287 0.076 0.000 1.035 248 K CB -0.373 32.145 32.500 0.029 0.000 0.834 248 K HN 0.531 nan 8.250 nan 0.000 0.496 249 H N 0.280 119.395 119.070 0.075 0.000 2.492 249 H HA 0.122 4.678 4.556 0.000 0.000 0.264 249 H C -0.667 174.741 175.328 0.134 0.000 1.150 249 H CA -0.718 55.381 56.048 0.084 0.000 0.962 249 H CB 0.584 30.403 29.762 0.096 0.000 1.766 249 H HN 0.103 nan 8.280 nan 0.000 0.589 250 D N 0.635 121.168 120.400 0.221 0.000 2.255 250 D HA 0.084 4.724 4.640 0.000 0.000 0.249 250 D C -0.248 176.151 176.300 0.164 0.000 1.078 250 D CA 0.032 54.166 54.000 0.224 0.000 0.896 250 D CB 1.333 42.234 40.800 0.169 0.000 1.194 250 D HN 0.109 nan 8.370 nan 0.000 0.429 251 F N 1.971 121.970 119.950 0.082 0.000 2.410 251 F HA 0.346 4.873 4.527 0.000 0.000 0.349 251 F C 0.892 176.710 175.800 0.030 0.000 1.117 251 F CA -0.320 57.700 58.000 0.032 0.000 1.104 251 F CB 0.915 39.938 39.000 0.037 0.000 1.122 251 F HN -0.134 nan 8.300 nan 0.000 0.483 252 R N 3.914 124.483 120.500 0.115 0.000 2.604 252 R HA 0.466 4.806 4.340 0.000 0.000 0.281 252 R C -1.787 174.607 176.300 0.156 0.000 1.020 252 R CA -1.125 55.070 56.100 0.158 0.000 0.899 252 R CB 2.328 32.772 30.300 0.240 0.000 1.205 252 R HN 0.445 nan 8.270 nan 0.000 0.450 253 L N 2.331 123.633 121.223 0.131 0.000 2.255 253 L HA 0.294 4.634 4.340 0.000 0.000 0.289 253 L C 0.725 177.777 176.870 0.302 0.000 1.046 253 L CA -0.061 54.852 54.840 0.123 0.000 0.816 253 L CB 0.566 42.628 42.059 0.006 0.000 1.197 253 L HN 0.594 nan 8.230 nan 0.000 0.427 254 W N 1.107 122.463 121.300 0.093 0.000 2.595 254 W HA -0.007 4.653 4.660 0.000 0.000 0.257 254 W C 0.773 177.523 176.519 0.386 0.000 1.267 254 W CA -0.276 57.239 57.345 0.283 0.000 1.300 254 W CB -0.831 28.815 29.460 0.310 0.000 1.120 254 W HN 0.508 nan 8.180 nan 0.000 0.618 255 N N -0.675 118.202 118.700 0.295 0.000 2.408 255 N HA 0.071 4.811 4.740 0.000 0.000 0.260 255 N C 1.395 176.742 175.510 -0.271 0.000 1.242 255 N CA 0.732 53.594 53.050 -0.314 0.000 0.959 255 N CB 0.515 38.843 38.487 -0.266 0.000 1.201 255 N HN -0.175 nan 8.380 nan 0.000 0.511 256 S N -0.670 114.776 115.700 -0.425 0.000 2.387 256 S HA 0.015 4.486 4.470 0.000 0.000 0.221 256 S C 0.170 174.632 174.600 -0.229 0.000 1.041 256 S CA 0.404 58.449 58.200 -0.259 0.000 0.959 256 S CB -0.215 62.843 63.200 -0.237 0.000 0.843 256 S HN 0.680 nan 8.310 nan 0.000 0.488 257 Q N -0.591 119.064 119.800 -0.240 0.000 2.484 257 Q HA 0.548 4.888 4.340 0.000 0.000 0.285 257 Q C -0.157 175.723 176.000 -0.199 0.000 1.097 257 Q CA -1.006 54.681 55.803 -0.194 0.000 0.802 257 Q CB 1.158 29.825 28.738 -0.119 0.000 1.444 257 Q HN -0.038 nan 8.270 nan 0.000 0.429 258 L N 0.428 121.557 121.223 -0.156 0.000 1.943 258 L HA -0.046 4.294 4.340 0.000 0.000 0.215 258 L C 0.627 177.382 176.870 -0.191 0.000 1.074 258 L CA 1.885 56.652 54.840 -0.122 0.000 0.759 258 L CB -0.286 41.744 42.059 -0.048 0.000 0.888 258 L HN 0.609 nan 8.230 nan 0.000 0.433 259 I N -1.399 119.001 120.570 -0.284 0.000 2.437 259 I HA 0.490 4.660 4.170 0.000 0.000 0.298 259 I C -0.120 175.452 176.117 -0.908 0.000 0.984 259 I CA -0.133 60.822 61.300 -0.574 0.000 1.214 259 I CB 1.496 39.078 38.000 -0.697 0.000 1.365 259 I HN 0.146 nan 8.210 nan 0.000 0.469 260 R N 4.232 124.156 120.500 -0.959 0.000 3.737 260 R HA 0.310 4.650 4.340 0.000 0.000 0.240 260 R C -2.012 173.984 176.300 -0.507 0.000 1.044 260 R CA -0.639 55.001 56.100 -0.765 0.000 1.164 260 R CB 0.220 30.316 30.300 -0.340 0.000 1.244 260 R HN 0.334 nan 8.270 nan 0.000 0.537 261 Y N 1.907 122.107 120.300 -0.167 0.000 2.357 261 Y HA 0.562 5.112 4.550 0.000 0.000 0.340 261 Y C 1.081 176.944 175.900 -0.062 0.000 1.260 261 Y CA 0.459 58.536 58.100 -0.038 0.000 1.425 261 Y CB 0.802 39.329 38.460 0.112 0.000 1.326 261 Y HN 0.721 nan 8.280 nan 0.000 0.580 262 A N 0.604 123.487 122.820 0.105 0.000 2.306 262 A HA 0.808 5.128 4.320 0.000 0.000 0.330 262 A C 0.088 177.526 177.584 -0.243 0.000 1.146 262 A CA -0.098 51.848 52.037 -0.152 0.000 0.827 262 A CB 0.593 19.403 19.000 -0.317 0.000 1.178 262 A HN 0.882 nan 8.150 nan 0.000 0.490 263 G N 0.007 108.592 108.800 -0.359 0.000 2.590 263 G HA2 0.590 4.550 3.960 0.000 0.000 0.310 263 G HA3 0.590 4.550 3.960 0.000 0.000 0.310 263 G C -1.275 173.424 174.900 -0.334 0.000 1.347 263 G CA -0.285 44.657 45.100 -0.265 0.000 0.963 263 G HN 0.496 nan 8.290 nan 0.000 0.494 264 Y N -0.140 120.203 120.300 0.073 0.000 2.528 264 Y HA 0.538 5.088 4.550 0.000 0.000 0.335 264 Y C 0.666 176.613 175.900 0.080 0.000 1.093 264 Y CA -1.207 56.965 58.100 0.120 0.000 1.134 264 Y CB 2.119 40.728 38.460 0.250 0.000 1.253 264 Y HN 0.467 nan 8.280 nan 0.000 0.478 265 Q N 2.703 122.646 119.800 0.239 0.000 2.901 265 Q HA 0.291 4.631 4.340 0.000 0.000 0.265 265 Q C -0.649 175.421 176.000 0.117 0.000 1.263 265 Q CA -0.566 55.318 55.803 0.134 0.000 1.088 265 Q CB 0.128 28.919 28.738 0.088 0.000 1.339 265 Q HN 0.588 nan 8.270 nan 0.000 0.546 266 M N 2.073 121.738 119.600 0.109 0.000 2.162 266 M HA -0.119 4.361 4.480 0.000 0.000 0.286 266 M C -1.352 174.950 176.300 0.003 0.000 1.006 266 M CA -0.210 55.107 55.300 0.029 0.000 1.047 266 M CB -0.519 32.085 32.600 0.006 0.000 1.341 266 M HN 0.390 nan 8.290 nan 0.000 0.407 267 P HA -0.158 nan 4.420 nan 0.000 0.213 267 P C 0.507 177.797 177.300 -0.017 0.000 1.170 267 P CA 1.616 64.698 63.100 -0.030 0.000 0.889 267 P CB -0.424 31.242 31.700 -0.057 0.000 0.782 268 D N -0.735 119.652 120.400 -0.021 0.000 2.434 268 D HA -0.112 4.528 4.640 0.000 0.000 0.228 268 D C 1.461 177.760 176.300 -0.001 0.000 0.995 268 D CA 1.319 55.312 54.000 -0.012 0.000 0.976 268 D CB -1.075 39.716 40.800 -0.015 0.000 0.867 268 D HN 0.420 nan 8.370 nan 0.000 0.519 269 G N 0.333 109.135 108.800 0.004 0.000 2.268 269 G HA2 -0.325 3.635 3.960 0.000 0.000 0.240 269 G HA3 -0.325 3.635 3.960 0.000 0.000 0.240 269 G C 0.640 175.551 174.900 0.018 0.000 1.010 269 G CA 0.662 45.770 45.100 0.012 0.000 0.618 269 G HN 0.780 nan 8.290 nan 0.000 0.516 270 T N -0.707 113.857 114.554 0.016 0.000 2.754 270 T HA 0.697 5.048 4.350 0.000 0.000 0.286 270 T C 0.400 175.119 174.700 0.031 0.000 0.997 270 T CA -0.253 61.859 62.100 0.020 0.000 0.982 270 T CB 1.815 70.692 68.868 0.015 0.000 1.027 270 T HN 0.593 nan 8.240 nan 0.000 0.529 271 I N 0.533 121.121 120.570 0.029 0.000 2.509 271 I HA 0.477 4.647 4.170 0.000 0.000 0.293 271 I C 0.471 176.607 176.117 0.032 0.000 1.020 271 I CA -1.047 60.278 61.300 0.042 0.000 1.088 271 I CB 2.230 40.242 38.000 0.020 0.000 1.267 271 I HN 0.597 nan 8.210 nan 0.000 0.430 272 R N 2.370 122.926 120.500 0.093 0.000 2.643 272 R HA 0.664 5.004 4.340 0.000 0.000 0.272 272 R C 0.465 176.782 176.300 0.028 0.000 0.995 272 R CA 0.431 56.581 56.100 0.084 0.000 1.032 272 R CB 1.688 32.098 30.300 0.183 0.000 1.126 272 R HN 0.892 nan 8.270 nan 0.000 0.505 273 G N 1.527 110.259 108.800 -0.112 0.000 2.574 273 G HA2 -0.316 3.644 3.960 0.000 0.000 0.282 273 G HA3 -0.316 3.644 3.960 0.000 0.000 0.282 273 G C -0.643 173.923 174.900 -0.556 0.000 1.257 273 G CA 0.205 45.143 45.100 -0.270 0.000 0.956 273 G HN 0.637 nan 8.290 nan 0.000 0.560 274 D N 1.737 121.970 120.400 -0.279 0.000 2.344 274 D HA 0.512 5.152 4.640 0.000 0.000 0.253 274 D C 1.452 177.690 176.300 -0.103 0.000 1.255 274 D CA 0.777 54.683 54.000 -0.157 0.000 0.894 274 D CB 0.675 41.590 40.800 0.190 0.000 1.067 274 D HN 0.814 nan 8.370 nan 0.000 0.492 275 A N 3.805 126.555 122.820 -0.118 0.000 2.067 275 A HA -0.045 4.275 4.320 0.000 0.000 0.219 275 A C 2.060 179.641 177.584 -0.004 0.000 1.158 275 A CA 1.462 53.469 52.037 -0.049 0.000 0.661 275 A CB -0.146 18.834 19.000 -0.035 0.000 0.801 275 A HN 0.608 nan 8.150 nan 0.000 0.452 276 A N -0.172 122.665 122.820 0.027 0.000 1.969 276 A HA -0.039 4.282 4.320 0.000 0.000 0.218 276 A C 2.072 179.673 177.584 0.027 0.000 1.169 276 A CA 1.970 54.035 52.037 0.047 0.000 0.635 276 A CB -0.942 18.110 19.000 0.086 0.000 0.810 276 A HN 0.783 nan 8.150 nan 0.000 0.445 277 T N -2.677 111.880 114.554 0.004 0.000 3.244 277 T HA 0.419 4.769 4.350 0.000 0.000 0.254 277 T C 1.285 175.961 174.700 -0.041 0.000 1.024 277 T CA -0.064 62.023 62.100 -0.021 0.000 0.920 277 T CB -0.309 68.528 68.868 -0.051 0.000 1.042 277 T HN 0.245 nan 8.240 nan 0.000 0.572 278 L N 0.587 121.788 121.223 -0.038 0.000 1.989 278 L HA -0.119 4.221 4.340 0.000 0.000 0.211 278 L C 2.933 179.767 176.870 -0.059 0.000 1.071 278 L CA 2.113 56.922 54.840 -0.052 0.000 0.749 278 L CB -0.420 41.629 42.059 -0.018 0.000 0.890 278 L HN 0.445 nan 8.230 nan 0.000 0.431 279 E N -0.317 119.858 120.200 -0.042 0.000 2.049 279 E HA -0.309 4.041 4.350 0.000 0.000 0.198 279 E C 2.149 178.634 176.600 -0.192 0.000 1.007 279 E CA 1.787 58.130 56.400 -0.095 0.000 0.809 279 E CB -0.217 29.449 29.700 -0.057 0.000 0.749 279 E HN 0.347 nan 8.360 nan 0.000 0.450 280 F N 1.115 120.860 119.950 -0.342 0.000 2.134 280 F HA -0.182 4.345 4.527 0.000 0.000 0.299 280 F C 2.389 177.987 175.800 -0.336 0.000 1.097 280 F CA 1.890 59.641 58.000 -0.415 0.000 1.264 280 F CB -0.420 38.380 39.000 -0.335 0.000 1.001 280 F HN 0.015 nan 8.300 nan 0.000 0.479 281 T N -0.438 114.036 114.554 -0.133 0.000 2.833 281 T HA -0.253 4.097 4.350 0.000 0.000 0.269 281 T C 1.693 176.276 174.700 -0.195 0.000 1.054 281 T CA 1.518 63.470 62.100 -0.246 0.000 1.135 281 T CB -0.256 68.431 68.868 -0.302 0.000 0.869 281 T HN 0.247 nan 8.240 nan 0.000 0.466 282 Q N 0.926 120.628 119.800 -0.163 0.000 1.965 282 Q HA 0.005 4.345 4.340 0.000 0.000 0.200 282 Q C 2.157 178.068 176.000 -0.148 0.000 0.981 282 Q CA 1.165 56.907 55.803 -0.101 0.000 0.834 282 Q CB -0.912 27.775 28.738 -0.085 0.000 0.900 282 Q HN 0.373 nan 8.270 nan 0.000 0.426 283 L N 0.112 121.177 121.223 -0.263 0.000 2.089 283 L HA -0.246 4.094 4.340 0.000 0.000 0.213 283 L C 2.194 178.911 176.870 -0.256 0.000 1.079 283 L CA 1.904 56.579 54.840 -0.275 0.000 0.758 283 L CB -0.982 40.805 42.059 -0.453 0.000 0.891 283 L HN 0.463 nan 8.230 nan 0.000 0.433 284 C N -0.750 118.329 119.300 -0.368 0.000 2.429 284 C HA -0.125 4.335 4.460 0.000 0.000 0.277 284 C C 2.681 177.676 174.990 0.009 0.000 1.262 284 C CA 0.574 59.415 59.018 -0.295 0.000 1.733 284 C CB -0.847 26.579 27.740 -0.522 0.000 2.010 284 C HN 0.574 nan 8.230 nan 0.000 0.483 285 I N 1.177 121.788 120.570 0.068 0.000 2.315 285 I HA -0.130 4.040 4.170 0.000 0.000 0.248 285 I C 2.043 178.195 176.117 0.059 0.000 1.117 285 I CA 1.690 63.072 61.300 0.136 0.000 1.404 285 I CB -1.474 36.598 38.000 0.119 0.000 1.071 285 I HN 0.381 nan 8.210 nan 0.000 0.419 286 D N 1.114 121.523 120.400 0.015 0.000 2.178 286 D HA -0.093 4.547 4.640 0.000 0.000 0.201 286 D C 1.913 178.230 176.300 0.027 0.000 0.980 286 D CA 0.999 55.010 54.000 0.018 0.000 0.842 286 D CB -0.031 40.773 40.800 0.007 0.000 0.948 286 D HN 0.341 nan 8.370 nan 0.000 0.472 287 L N -0.223 121.000 121.223 0.000 0.000 2.688 287 L HA 0.278 4.618 4.340 0.000 0.000 0.234 287 L C 0.985 177.832 176.870 -0.038 0.000 1.192 287 L CA -0.050 54.772 54.840 -0.029 0.000 0.984 287 L CB -0.089 41.909 42.059 -0.101 0.000 1.232 287 L HN 0.041 nan 8.230 nan 0.000 0.465 288 G N -0.736 108.068 108.800 0.006 0.000 2.142 288 G HA2 -0.288 3.672 3.960 0.000 0.000 0.225 288 G HA3 -0.288 3.672 3.960 0.000 0.000 0.225 288 G C -0.511 174.422 174.900 0.056 0.000 1.015 288 G CA -0.458 44.645 45.100 0.005 0.000 0.716 288 G HN 0.393 nan 8.290 nan 0.000 0.508 289 W N 1.161 122.398 121.300 -0.105 0.000 2.390 289 W HA 0.714 5.374 4.660 0.000 0.000 0.312 289 W C 0.102 176.575 176.519 -0.077 0.000 1.123 289 W CA -1.543 55.743 57.345 -0.098 0.000 1.202 289 W CB 1.077 30.468 29.460 -0.115 0.000 1.251 289 W HN -0.099 nan 8.180 nan 0.000 0.511 290 K N 8.447 128.434 120.400 -0.689 0.000 2.219 290 K HA 0.202 4.522 4.320 0.000 0.000 0.280 290 K C -2.354 173.597 176.600 -1.081 0.000 1.104 290 K CA -1.961 53.945 56.287 -0.635 0.000 0.925 290 K CB 0.452 32.691 32.500 -0.434 0.000 1.261 290 K HN 0.277 nan 8.250 nan 0.000 0.445 291 P HA 0.108 nan 4.420 nan 0.000 0.265 291 P C -0.038 176.831 177.300 -0.719 0.000 1.222 291 P CA -0.175 62.396 63.100 -0.881 0.000 0.767 291 P CB 0.750 32.036 31.700 -0.689 0.000 0.801 292 R N 2.076 122.281 120.500 -0.492 0.000 2.323 292 R HA 0.074 4.414 4.340 0.000 0.000 0.198 292 R C -0.075 176.145 176.300 -0.132 0.000 0.988 292 R CA -0.174 55.794 56.100 -0.221 0.000 1.041 292 R CB -1.295 28.954 30.300 -0.085 0.000 0.926 292 R HN 0.424 nan 8.270 nan 0.000 0.476 293 Y N -0.929 119.163 120.300 -0.348 0.000 2.845 293 Y HA -0.200 4.350 4.550 0.000 0.000 0.144 293 Y C 0.903 176.583 175.900 -0.366 0.000 1.742 293 Y CA 0.919 58.552 58.100 -0.778 0.000 1.074 293 Y CB -1.366 36.774 38.460 -0.534 0.000 1.682 293 Y HN 0.279 nan 8.280 nan 0.000 0.320 294 G N 1.457 110.219 108.800 -0.064 0.000 2.731 294 G HA2 0.599 4.559 3.960 0.000 0.000 0.309 294 G HA3 0.599 4.559 3.960 0.000 0.000 0.309 294 G C 0.142 175.126 174.900 0.139 0.000 1.273 294 G CA -0.868 44.280 45.100 0.081 0.000 0.798 294 G HN 0.245 nan 8.290 nan 0.000 0.509 295 R N -1.358 119.167 120.500 0.042 0.000 2.282 295 R HA 0.283 4.623 4.340 0.000 0.000 0.195 295 R C -0.291 175.672 176.300 -0.562 0.000 0.909 295 R CA 0.441 56.416 56.100 -0.210 0.000 1.039 295 R CB 0.378 30.497 30.300 -0.302 0.000 1.015 295 R HN 0.260 nan 8.270 nan 0.000 0.513 296 F N 1.079 121.010 119.950 -0.031 0.000 2.566 296 F HA 0.263 4.790 4.527 0.000 0.000 0.347 296 F C -0.855 174.965 175.800 0.034 0.000 1.515 296 F CA -1.110 56.643 58.000 -0.411 0.000 1.103 296 F CB 0.803 39.467 39.000 -0.559 0.000 1.385 296 F HN -0.270 nan 8.300 nan 0.000 0.560 297 D N 1.732 122.359 120.400 0.378 0.000 2.317 297 D HA 0.245 4.885 4.640 0.000 0.000 0.234 297 D C 0.138 176.715 176.300 0.462 0.000 1.112 297 D CA -0.104 54.163 54.000 0.446 0.000 0.840 297 D CB 2.684 43.790 40.800 0.509 0.000 1.078 297 D HN -0.057 nan 8.370 nan 0.000 0.486 298 V N 3.593 123.730 119.914 0.372 0.000 2.540 298 V HA -0.022 4.098 4.120 0.000 0.000 0.297 298 V C 1.185 177.329 176.094 0.084 0.000 1.024 298 V CA -0.176 62.204 62.300 0.133 0.000 1.105 298 V CB 0.124 31.972 31.823 0.042 0.000 0.938 298 V HN 0.365 nan 8.190 nan 0.000 0.482 299 L N 7.862 129.007 121.223 -0.130 0.000 2.476 299 L HA 0.274 4.614 4.340 0.000 0.000 0.264 299 L C -1.765 174.940 176.870 -0.275 0.000 1.224 299 L CA -1.243 53.378 54.840 -0.365 0.000 0.821 299 L CB 0.600 42.474 42.059 -0.308 0.000 1.101 299 L HN 0.483 nan 8.230 nan 0.000 0.488 300 P HA 0.118 nan 4.420 nan 0.000 0.290 300 P C -0.864 176.373 177.300 -0.106 0.000 1.276 300 P CA -0.676 62.293 63.100 -0.219 0.000 0.808 300 P CB 1.415 32.917 31.700 -0.330 0.000 0.966 301 L N 4.532 125.727 121.223 -0.046 0.000 2.477 301 L HA 0.090 4.430 4.340 0.000 0.000 0.272 301 L C -0.096 176.757 176.870 -0.028 0.000 1.157 301 L CA 0.276 55.119 54.840 0.004 0.000 0.889 301 L CB 0.259 42.354 42.059 0.060 0.000 1.158 301 L HN 0.140 nan 8.230 nan 0.000 0.473 302 V N 6.792 126.712 119.914 0.010 0.000 2.325 302 V HA 0.397 4.517 4.120 0.000 0.000 0.280 302 V C -0.353 175.672 176.094 -0.115 0.000 1.016 302 V CA -0.600 61.632 62.300 -0.112 0.000 0.818 302 V CB 1.279 33.046 31.823 -0.094 0.000 1.019 302 V HN 0.512 nan 8.190 nan 0.000 0.434 303 L N 4.468 125.583 121.223 -0.180 0.000 2.313 303 L HA 0.818 5.159 4.340 0.000 0.000 0.268 303 L C -0.195 176.469 176.870 -0.343 0.000 1.010 303 L CA -0.746 53.988 54.840 -0.177 0.000 0.814 303 L CB 1.587 43.622 42.059 -0.039 0.000 1.304 303 L HN 0.748 nan 8.230 nan 0.000 0.441 304 Q N 0.395 120.004 119.800 -0.319 0.000 2.275 304 Q HA 0.879 5.219 4.340 0.000 0.000 0.266 304 Q C -1.408 174.370 176.000 -0.369 0.000 1.002 304 Q CA -0.783 54.791 55.803 -0.380 0.000 0.761 304 Q CB 1.985 30.455 28.738 -0.448 0.000 1.255 304 Q HN 0.776 nan 8.270 nan 0.000 0.446 305 A N 2.485 125.035 122.820 -0.450 0.000 2.303 305 A HA 0.598 4.918 4.320 0.000 0.000 0.317 305 A C 0.238 177.230 177.584 -0.987 0.000 1.149 305 A CA 0.410 51.908 52.037 -0.898 0.000 0.822 305 A CB 0.738 19.453 19.000 -0.474 0.000 1.131 305 A HN 1.057 nan 8.150 nan 0.000 0.493 306 D N 0.476 119.790 120.400 -1.811 0.000 4.429 306 D HA -0.262 4.378 4.640 0.000 0.000 0.235 306 D C 1.035 177.162 176.300 -0.288 0.000 1.091 306 D CA 4.277 57.852 54.000 -0.709 0.000 2.197 306 D CB -1.248 39.330 40.800 -0.370 0.000 1.181 306 D HN 1.517 nan 8.370 nan 0.000 0.415 307 G N -1.799 106.876 108.800 -0.209 0.000 4.449 307 G HA2 0.139 4.099 3.960 0.000 0.000 0.195 307 G HA3 0.139 4.099 3.960 0.000 0.000 0.195 307 G C 0.275 175.195 174.900 0.033 0.000 0.806 307 G CA 0.480 45.584 45.100 0.006 0.000 0.774 307 G HN 0.339 nan 8.290 nan 0.000 0.508 308 Q N 1.018 120.762 119.800 -0.092 0.000 3.001 308 Q HA 0.277 4.617 4.340 0.000 0.000 0.190 308 Q C 0.112 176.055 176.000 -0.096 0.000 1.201 308 Q CA 0.583 56.326 55.803 -0.100 0.000 1.308 308 Q CB 0.237 28.878 28.738 -0.162 0.000 1.467 308 Q HN 0.265 nan 8.270 nan 0.000 0.706 309 D N 0.415 120.681 120.400 -0.224 0.000 2.332 309 D HA 0.314 4.954 4.640 0.000 0.000 0.252 309 D C -2.238 173.724 176.300 -0.563 0.000 1.050 309 D CA -1.363 52.407 54.000 -0.382 0.000 0.970 309 D CB 0.356 40.819 40.800 -0.562 0.000 1.141 309 D HN 0.275 nan 8.370 nan 0.000 0.485 310 P HA 0.091 nan 4.420 nan 0.000 0.271 310 P C -0.676 176.200 177.300 -0.707 0.000 1.216 310 P CA 0.034 62.542 63.100 -0.986 0.000 0.771 310 P CB 1.076 31.745 31.700 -1.717 0.000 0.864 311 E N 1.344 121.174 120.200 -0.616 0.000 2.158 311 E HA 0.320 4.670 4.350 0.000 0.000 0.271 311 E C -0.528 175.574 176.600 -0.829 0.000 0.911 311 E CA -1.114 54.882 56.400 -0.673 0.000 0.767 311 E CB 2.057 31.360 29.700 -0.662 0.000 1.120 311 E HN 0.205 nan 8.360 nan 0.000 0.405 312 V N 3.988 123.446 119.914 -0.761 0.000 2.583 312 V HA 0.292 4.412 4.120 0.000 0.000 0.287 312 V C -0.518 175.070 176.094 -0.844 0.000 1.051 312 V CA 0.036 61.969 62.300 -0.612 0.000 1.010 312 V CB -0.013 31.610 31.823 -0.333 0.000 0.988 312 V HN 0.480 nan 8.190 nan 0.000 0.478 313 F N 1.766 121.502 119.950 -0.356 0.000 2.574 313 F HA 0.460 4.987 4.527 0.000 0.000 0.313 313 F C -0.016 175.561 175.800 -0.373 0.000 1.130 313 F CA -1.142 56.502 58.000 -0.593 0.000 0.936 313 F CB 1.867 40.004 39.000 -1.439 0.000 1.219 313 F HN 0.447 nan 8.300 nan 0.000 0.445 314 E N 2.876 123.091 120.200 0.025 0.000 2.289 314 E HA 0.442 4.792 4.350 0.000 0.000 0.278 314 E C -0.743 175.968 176.600 0.186 0.000 1.032 314 E CA -0.121 56.367 56.400 0.146 0.000 0.854 314 E CB 0.623 30.429 29.700 0.176 0.000 1.046 314 E HN 0.457 nan 8.360 nan 0.000 0.409 315 I N 6.997 127.678 120.570 0.184 0.000 2.379 315 I HA 0.184 4.354 4.170 0.000 0.000 0.290 315 I C -1.867 174.358 176.117 0.180 0.000 1.063 315 I CA -2.115 59.318 61.300 0.221 0.000 1.351 315 I CB 0.692 38.768 38.000 0.127 0.000 1.410 315 I HN 0.432 nan 8.210 nan 0.000 0.505 316 P HA -0.000 nan 4.420 nan 0.000 0.255 316 P C -1.972 175.374 177.300 0.077 0.000 1.173 316 P CA -0.648 62.518 63.100 0.111 0.000 0.780 316 P CB 0.031 31.770 31.700 0.064 0.000 0.758 317 P HA -0.226 nan 4.420 nan 0.000 0.217 317 P C 0.933 178.257 177.300 0.041 0.000 1.148 317 P CA 1.406 64.543 63.100 0.062 0.000 0.834 317 P CB -0.032 31.705 31.700 0.062 0.000 0.783 318 D N -1.421 118.997 120.400 0.031 0.000 2.351 318 D HA -0.057 4.583 4.640 0.000 0.000 0.216 318 D C 1.576 177.882 176.300 0.010 0.000 0.968 318 D CA 0.854 54.864 54.000 0.016 0.000 0.899 318 D CB -0.037 40.768 40.800 0.007 0.000 0.907 318 D HN 0.281 nan 8.370 nan 0.000 0.514 319 L N -0.136 121.097 121.223 0.017 0.000 2.556 319 L HA 0.097 4.437 4.340 0.000 0.000 0.226 319 L C 0.510 177.390 176.870 0.017 0.000 1.089 319 L CA 0.079 54.926 54.840 0.011 0.000 0.864 319 L CB 0.896 42.961 42.059 0.010 0.000 1.067 319 L HN -0.259 nan 8.230 nan 0.000 0.477 320 V N 2.373 122.300 119.914 0.022 0.000 2.320 320 V HA 0.152 4.272 4.120 0.000 0.000 0.265 320 V C 0.032 176.145 176.094 0.031 0.000 1.048 320 V CA -0.449 61.864 62.300 0.020 0.000 0.865 320 V CB 1.246 33.074 31.823 0.008 0.000 1.043 320 V HN 0.049 nan 8.190 nan 0.000 0.474 321 L N 5.910 127.154 121.223 0.035 0.000 2.395 321 L HA 0.548 4.888 4.340 0.000 0.000 0.269 321 L C 0.041 176.928 176.870 0.028 0.000 1.133 321 L CA 0.709 55.560 54.840 0.018 0.000 0.812 321 L CB 0.852 42.914 42.059 0.006 0.000 1.125 321 L HN 0.690 nan 8.230 nan 0.000 0.452 322 E N 2.602 122.791 120.200 -0.019 0.000 2.408 322 E HA 0.577 4.927 4.350 0.000 0.000 0.275 322 E C -1.645 174.864 176.600 -0.152 0.000 0.935 322 E CA -0.950 55.427 56.400 -0.038 0.000 0.775 322 E CB 2.423 32.133 29.700 0.018 0.000 1.277 322 E HN 0.380 nan 8.360 nan 0.000 0.455 323 V N 1.599 121.377 119.914 -0.226 0.000 2.495 323 V HA 0.347 4.467 4.120 0.000 0.000 0.298 323 V C -0.247 175.757 176.094 -0.149 0.000 1.031 323 V CA -0.769 61.337 62.300 -0.324 0.000 0.871 323 V CB 1.716 33.055 31.823 -0.808 0.000 0.988 323 V HN 0.816 nan 8.190 nan 0.000 0.432 324 T N 3.759 118.240 114.554 -0.121 0.000 2.817 324 T HA 0.517 4.867 4.350 0.000 0.000 0.293 324 T C -0.138 174.555 174.700 -0.011 0.000 0.964 324 T CA -0.776 61.282 62.100 -0.071 0.000 1.085 324 T CB 0.847 69.672 68.868 -0.072 0.000 0.921 324 T HN 0.336 nan 8.240 nan 0.000 0.502 325 M N 4.054 123.682 119.600 0.047 0.000 2.143 325 M HA 0.295 4.775 4.480 0.000 0.000 0.348 325 M C 0.333 176.771 176.300 0.230 0.000 1.375 325 M CA -0.029 55.369 55.300 0.163 0.000 1.124 325 M CB -0.261 32.461 32.600 0.203 0.000 1.669 325 M HN 0.932 nan 8.290 nan 0.000 0.469 326 E N 2.200 122.546 120.200 0.242 0.000 2.290 326 E HA 0.335 4.685 4.350 0.000 0.000 0.274 326 E C -1.255 175.465 176.600 0.201 0.000 0.889 326 E CA -0.815 55.752 56.400 0.278 0.000 0.760 326 E CB 1.776 31.550 29.700 0.124 0.000 1.206 326 E HN 0.584 nan 8.360 nan 0.000 0.419 327 H N 4.581 123.634 119.070 -0.027 0.000 2.548 327 H HA 0.196 4.752 4.556 0.000 0.000 0.331 327 H C -1.678 173.631 175.328 -0.031 0.000 1.093 327 H CA -2.142 53.753 56.048 -0.254 0.000 1.367 327 H CB 1.782 31.154 29.762 -0.650 0.000 1.455 327 H HN 0.493 nan 8.280 nan 0.000 0.519 328 P HA -0.019 nan 4.420 nan 0.000 0.242 328 P C 0.230 177.594 177.300 0.106 0.000 1.197 328 P CA 0.656 63.692 63.100 -0.107 0.000 0.765 328 P CB 0.716 31.955 31.700 -0.768 0.000 0.936 329 K N -1.682 118.920 120.400 0.337 0.000 2.826 329 K HA 0.130 4.450 4.320 0.000 0.000 0.195 329 K C 0.249 176.783 176.600 -0.109 0.000 1.516 329 K CA 0.387 56.717 56.287 0.072 0.000 1.213 329 K CB -0.219 32.322 32.500 0.067 0.000 1.762 329 K HN 0.053 nan 8.250 nan 0.000 0.583 330 Y N 3.299 123.294 120.300 -0.508 0.000 2.585 330 Y HA 0.161 4.711 4.550 0.000 0.000 0.354 330 Y C 1.613 177.219 175.900 -0.489 0.000 1.024 330 Y CA -0.185 57.550 58.100 -0.610 0.000 1.321 330 Y CB 0.551 38.306 38.460 -1.175 0.000 1.151 330 Y HN 0.173 nan 8.280 nan 0.000 0.525 331 E N 4.033 124.177 120.200 -0.093 0.000 2.208 331 E HA -0.138 4.212 4.350 0.000 0.000 0.193 331 E C 1.357 177.981 176.600 0.040 0.000 0.988 331 E CA 0.975 57.382 56.400 0.012 0.000 0.828 331 E CB -0.020 29.724 29.700 0.075 0.000 0.763 331 E HN 0.897 nan 8.360 nan 0.000 0.478 332 W N -0.345 121.045 121.300 0.151 0.000 2.525 332 W HA -0.107 4.553 4.660 0.000 0.000 0.259 332 W C 1.253 177.869 176.519 0.163 0.000 1.253 332 W CA -0.188 57.234 57.345 0.129 0.000 1.262 332 W CB -1.015 28.509 29.460 0.107 0.000 1.122 332 W HN 0.009 nan 8.180 nan 0.000 0.607 333 F N 2.482 122.048 119.950 -0.640 0.000 2.095 333 F HA -0.246 4.281 4.527 0.000 0.000 0.298 333 F C 2.836 178.553 175.800 -0.139 0.000 1.104 333 F CA 2.741 60.431 58.000 -0.517 0.000 1.232 333 F CB -0.762 37.930 39.000 -0.514 0.000 0.987 333 F HN -0.104 nan 8.300 nan 0.000 0.475 334 Q N -0.048 119.770 119.800 0.030 0.000 2.077 334 Q HA -0.288 4.052 4.340 0.000 0.000 0.206 334 Q C 2.083 178.072 176.000 -0.018 0.000 0.989 334 Q CA 2.220 58.029 55.803 0.011 0.000 0.853 334 Q CB -0.341 28.427 28.738 0.050 0.000 0.907 334 Q HN 0.510 nan 8.270 nan 0.000 0.418 335 E N -0.235 119.989 120.200 0.040 0.000 2.333 335 E HA -0.211 4.139 4.350 0.000 0.000 0.200 335 E C 1.508 178.120 176.600 0.021 0.000 1.010 335 E CA 0.418 56.856 56.400 0.062 0.000 0.841 335 E CB 0.047 29.831 29.700 0.140 0.000 0.757 335 E HN 0.220 nan 8.360 nan 0.000 0.508 336 L N -0.452 120.729 121.223 -0.070 0.000 2.217 336 L HA 0.020 4.360 4.340 0.000 0.000 0.211 336 L C 1.480 178.297 176.870 -0.088 0.000 1.107 336 L CA 1.460 56.221 54.840 -0.131 0.000 0.783 336 L CB -1.225 40.591 42.059 -0.404 0.000 0.919 336 L HN 0.221 nan 8.230 nan 0.000 0.442 337 G N 0.639 109.387 108.800 -0.086 0.000 2.350 337 G HA2 -0.283 3.677 3.960 0.000 0.000 0.298 337 G HA3 -0.283 3.677 3.960 0.000 0.000 0.298 337 G C 0.186 175.089 174.900 0.006 0.000 1.037 337 G CA 0.286 45.370 45.100 -0.027 0.000 1.074 337 G HN 0.297 nan 8.290 nan 0.000 0.511 338 L N -0.808 120.362 121.223 -0.089 0.000 2.375 338 L HA 0.854 5.194 4.340 0.000 0.000 0.268 338 L C 0.581 177.380 176.870 -0.117 0.000 1.058 338 L CA -0.660 54.174 54.840 -0.010 0.000 0.803 338 L CB 1.791 43.693 42.059 -0.261 0.000 1.212 338 L HN 0.612 nan 8.230 nan 0.000 0.451 339 K N -0.224 120.044 120.400 -0.220 0.000 2.617 339 K HA 0.554 4.874 4.320 0.000 0.000 0.293 339 K C -1.927 174.739 176.600 0.110 0.000 1.034 339 K CA -1.052 55.100 56.287 -0.226 0.000 0.884 339 K CB 1.811 33.977 32.500 -0.557 0.000 1.541 339 K HN 0.560 nan 8.250 nan 0.000 0.409 340 W N 1.478 122.760 121.300 -0.030 0.000 3.298 340 W HA 0.302 4.962 4.660 0.000 0.000 0.302 340 W C -1.473 175.105 176.519 0.098 0.000 1.255 340 W CA -0.765 56.666 57.345 0.144 0.000 1.196 340 W CB 1.290 30.703 29.460 -0.079 0.000 1.364 340 W HN 0.694 nan 8.180 nan 0.000 0.566 341 Y N 1.391 121.588 120.300 -0.172 0.000 2.304 341 Y HA 0.564 5.114 4.550 0.000 0.000 0.327 341 Y C 0.785 176.852 175.900 0.278 0.000 1.209 341 Y CA 0.072 58.142 58.100 -0.050 0.000 1.299 341 Y CB 0.200 38.505 38.460 -0.258 0.000 1.249 341 Y HN 0.344 nan 8.280 nan 0.000 0.519 342 A N 2.733 125.752 122.820 0.332 0.000 1.930 342 A HA 0.042 4.362 4.320 0.000 0.000 0.215 342 A C 0.692 178.629 177.584 0.589 0.000 1.176 342 A CA 0.307 52.614 52.037 0.449 0.000 0.632 342 A CB -0.388 18.731 19.000 0.199 0.000 0.819 342 A HN 0.700 nan 8.150 nan 0.000 0.445 343 L N 2.246 123.740 121.223 0.453 0.000 2.278 343 L HA 0.368 4.708 4.340 0.000 0.000 0.287 343 L C -2.464 174.599 176.870 0.323 0.000 1.072 343 L CA -1.938 53.102 54.840 0.334 0.000 0.819 343 L CB 1.111 43.293 42.059 0.204 0.000 1.176 343 L HN 0.048 nan 8.230 nan 0.000 0.435 344 P HA 0.432 nan 4.420 nan 0.000 0.300 344 P C -1.669 175.600 177.300 -0.051 0.000 1.375 344 P CA -0.431 62.608 63.100 -0.102 0.000 0.864 344 P CB 1.567 32.872 31.700 -0.659 0.000 0.958 345 A N 3.896 126.704 122.820 -0.020 0.000 2.374 345 A HA 0.552 4.872 4.320 0.000 0.000 0.305 345 A C -0.637 176.831 177.584 -0.193 0.000 1.053 345 A CA -0.713 51.283 52.037 -0.069 0.000 0.726 345 A CB 1.533 20.540 19.000 0.012 0.000 1.229 345 A HN 0.290 nan 8.150 nan 0.000 0.431 346 V N 2.150 121.829 119.914 -0.391 0.000 2.432 346 V HA 0.477 4.598 4.120 0.000 0.000 0.275 346 V C 1.079 176.795 176.094 -0.630 0.000 1.043 346 V CA 0.721 62.700 62.300 -0.536 0.000 0.925 346 V CB 1.150 32.525 31.823 -0.746 0.000 0.985 346 V HN 1.187 nan 8.190 nan 0.000 0.466 347 A N 3.951 126.539 122.820 -0.387 0.000 2.324 347 A HA 0.122 4.442 4.320 0.000 0.000 0.220 347 A C 1.286 178.750 177.584 -0.200 0.000 1.209 347 A CA 0.402 52.269 52.037 -0.283 0.000 0.918 347 A CB -0.125 18.768 19.000 -0.178 0.000 0.959 347 A HN 0.909 nan 8.150 nan 0.000 0.507 348 N N -1.128 117.449 118.700 -0.204 0.000 2.214 348 N HA 0.247 4.987 4.740 0.000 0.000 0.214 348 N C 0.105 175.572 175.510 -0.071 0.000 1.132 348 N CA -0.238 52.744 53.050 -0.112 0.000 0.856 348 N CB 0.147 38.569 38.487 -0.108 0.000 1.020 348 N HN 0.300 nan 8.380 nan 0.000 0.509 349 M N 1.454 121.005 119.600 -0.082 0.000 2.409 349 M HA 0.331 4.811 4.480 0.000 0.000 0.329 349 M C -0.530 175.918 176.300 0.246 0.000 1.180 349 M CA -0.767 54.594 55.300 0.102 0.000 1.053 349 M CB 2.520 35.224 32.600 0.174 0.000 1.586 349 M HN 0.125 nan 8.290 nan 0.000 0.461 350 L N 2.937 124.366 121.223 0.345 0.000 2.322 350 L HA 0.582 4.922 4.340 0.000 0.000 0.279 350 L C -1.434 175.727 176.870 0.484 0.000 1.036 350 L CA -0.961 54.098 54.840 0.365 0.000 0.807 350 L CB 1.303 43.523 42.059 0.268 0.000 1.226 350 L HN 0.601 nan 8.230 nan 0.000 0.433 351 L N 4.839 126.335 121.223 0.455 0.000 2.307 351 L HA 0.504 4.845 4.340 0.000 0.000 0.284 351 L C -0.667 176.404 176.870 0.335 0.000 1.023 351 L CA 0.193 55.270 54.840 0.395 0.000 0.810 351 L CB 1.321 43.615 42.059 0.392 0.000 1.231 351 L HN 0.650 nan 8.230 nan 0.000 0.423 352 E N 4.978 125.322 120.200 0.239 0.000 2.199 352 E HA 0.525 4.875 4.350 0.000 0.000 0.265 352 E C -2.067 174.573 176.600 0.067 0.000 0.882 352 E CA -0.417 56.065 56.400 0.137 0.000 0.759 352 E CB 2.067 31.823 29.700 0.094 0.000 1.148 352 E HN 0.535 nan 8.360 nan 0.000 0.412 353 V N 2.594 122.507 119.914 -0.002 0.000 3.049 353 V HA 0.584 4.704 4.120 0.000 0.000 0.309 353 V C 0.656 176.677 176.094 -0.123 0.000 1.148 353 V CA 0.339 62.535 62.300 -0.172 0.000 0.990 353 V CB 1.739 33.360 31.823 -0.336 0.000 1.039 353 V HN 0.868 nan 8.190 nan 0.000 0.430 354 G N 3.154 111.884 108.800 -0.116 0.000 2.483 354 G HA2 0.050 4.010 3.960 0.000 0.000 0.309 354 G HA3 0.050 4.010 3.960 0.000 0.000 0.309 354 G C 1.500 176.578 174.900 0.296 0.000 0.908 354 G CA 1.752 46.990 45.100 0.229 0.000 0.943 354 G HN 2.665 nan 8.290 nan 0.000 0.511 355 G N -2.765 106.148 108.800 0.188 0.000 2.258 355 G HA2 -0.132 3.828 3.960 0.000 0.000 0.233 355 G HA3 -0.132 3.828 3.960 0.000 0.000 0.233 355 G C 0.309 175.270 174.900 0.102 0.000 1.006 355 G CA 0.431 45.671 45.100 0.234 0.000 0.620 355 G HN 1.112 nan 8.290 nan 0.000 0.511 356 L N 1.339 122.560 121.223 -0.003 0.000 2.375 356 L HA 0.725 5.065 4.340 0.000 0.000 0.268 356 L C 0.356 177.068 176.870 -0.264 0.000 1.058 356 L CA -0.647 54.072 54.840 -0.201 0.000 0.803 356 L CB 1.334 43.142 42.059 -0.420 0.000 1.212 356 L HN 0.472 nan 8.230 nan 0.000 0.451 357 E N 0.576 120.555 120.200 -0.368 0.000 2.265 357 E HA 0.441 4.791 4.350 0.000 0.000 0.262 357 E C -1.658 174.765 176.600 -0.296 0.000 0.889 357 E CA -0.509 55.746 56.400 -0.241 0.000 0.789 357 E CB 0.982 30.625 29.700 -0.096 0.000 1.221 357 E HN 0.234 nan 8.360 nan 0.000 0.414 358 F N 3.963 123.953 119.950 0.067 0.000 2.390 358 F HA 0.284 4.811 4.527 0.000 0.000 0.361 358 F C -1.436 174.448 175.800 0.139 0.000 1.124 358 F CA -2.527 55.531 58.000 0.096 0.000 1.149 358 F CB 1.311 40.367 39.000 0.093 0.000 1.160 358 F HN 0.393 nan 8.300 nan 0.000 0.501 359 P HA 0.101 nan 4.420 nan 0.000 0.249 359 P C -0.331 177.106 177.300 0.229 0.000 1.241 359 P CA 0.479 63.711 63.100 0.220 0.000 0.781 359 P CB 0.469 32.273 31.700 0.175 0.000 1.088 360 A N 0.361 123.355 122.820 0.290 0.000 2.547 360 A HA 0.526 4.846 4.320 0.000 0.000 0.279 360 A C -0.335 177.470 177.584 0.368 0.000 1.088 360 A CA -0.418 51.772 52.037 0.256 0.000 0.796 360 A CB 0.114 19.231 19.000 0.194 0.000 1.308 360 A HN 0.264 nan 8.150 nan 0.000 0.415 361 C N 0.971 120.434 119.300 0.271 0.000 3.166 361 C HA 0.523 4.983 4.460 0.000 0.000 0.277 361 C C -2.993 172.047 174.990 0.083 0.000 0.984 361 C CA -1.499 57.664 59.018 0.241 0.000 1.142 361 C CB -0.036 27.837 27.740 0.221 0.000 1.721 361 C HN 0.577 nan 8.230 nan 0.000 0.628 362 P HA 0.318 nan 4.420 nan 0.000 0.265 362 P C -0.598 176.534 177.300 -0.280 0.000 1.193 362 P CA 0.952 63.876 63.100 -0.294 0.000 0.765 362 P CB 0.417 31.984 31.700 -0.221 0.000 0.823 363 F N 0.697 120.547 119.950 -0.167 0.000 2.613 363 F HA 0.697 5.224 4.527 0.000 0.000 0.314 363 F C -0.607 175.128 175.800 -0.108 0.000 1.075 363 F CA -1.347 56.574 58.000 -0.132 0.000 0.945 363 F CB 1.601 40.414 39.000 -0.311 0.000 1.310 363 F HN 0.335 nan 8.300 nan 0.000 0.467 364 N N -0.051 118.776 118.700 0.212 0.000 2.610 364 N HA 0.773 5.513 4.740 0.000 0.000 0.264 364 N C -1.209 174.217 175.510 -0.140 0.000 1.348 364 N CA -0.355 52.726 53.050 0.053 0.000 0.819 364 N CB 1.955 40.516 38.487 0.123 0.000 1.521 364 N HN 1.116 nan 8.380 nan 0.000 0.497 365 G N -1.030 107.655 108.800 -0.193 0.000 2.976 365 G HA2 0.665 4.625 3.960 0.000 0.000 0.276 365 G HA3 0.665 4.625 3.960 0.000 0.000 0.276 365 G C -1.829 173.011 174.900 -0.101 0.000 1.207 365 G CA -0.668 44.232 45.100 -0.333 0.000 0.803 365 G HN 0.712 nan 8.290 nan 0.000 0.572 366 W N -1.616 119.640 121.300 -0.073 0.000 2.958 366 W HA 0.843 5.503 4.660 0.000 0.000 0.339 366 W C -1.383 175.088 176.519 -0.081 0.000 1.174 366 W CA -2.221 55.102 57.345 -0.036 0.000 1.064 366 W CB 0.244 29.731 29.460 0.045 0.000 1.471 366 W HN 0.427 nan 8.180 nan 0.000 0.599 367 Y N 1.789 122.298 120.300 0.348 0.000 2.326 367 Y HA 0.354 4.904 4.550 0.000 0.000 0.333 367 Y C 0.599 176.547 175.900 0.079 0.000 1.240 367 Y CA -0.591 57.568 58.100 0.099 0.000 1.365 367 Y CB 1.280 39.673 38.460 -0.111 0.000 1.289 367 Y HN 0.324 nan 8.280 nan 0.000 0.548 368 M N 2.308 122.040 119.600 0.219 0.000 2.125 368 M HA 0.327 4.807 4.480 0.000 0.000 0.321 368 M C 1.027 177.304 176.300 -0.039 0.000 0.983 368 M CA -0.233 55.120 55.300 0.089 0.000 0.934 368 M CB 1.147 33.781 32.600 0.057 0.000 1.542 368 M HN 0.889 nan 8.290 nan 0.000 0.424 369 G N 2.039 110.766 108.800 -0.122 0.000 2.759 369 G HA2 -0.404 3.556 3.960 0.000 0.000 0.224 369 G HA3 -0.404 3.556 3.960 0.000 0.000 0.224 369 G C 1.129 175.872 174.900 -0.262 0.000 1.173 369 G CA 2.248 47.207 45.100 -0.235 0.000 0.770 369 G HN 0.858 nan 8.290 nan 0.000 0.626 370 T N -0.893 113.512 114.554 -0.248 0.000 2.897 370 T HA -0.069 4.281 4.350 0.000 0.000 0.271 370 T C 1.915 176.451 174.700 -0.273 0.000 1.084 370 T CA 1.782 63.697 62.100 -0.308 0.000 1.123 370 T CB -0.334 68.275 68.868 -0.432 0.000 0.865 370 T HN 0.602 nan 8.240 nan 0.000 0.496 371 E N 1.105 121.169 120.200 -0.228 0.000 2.058 371 E HA -0.089 4.261 4.350 0.000 0.000 0.194 371 E C 2.213 178.582 176.600 -0.384 0.000 0.997 371 E CA 1.695 57.977 56.400 -0.198 0.000 0.801 371 E CB -0.330 29.385 29.700 0.025 0.000 0.746 371 E HN 0.668 nan 8.360 nan 0.000 0.450 372 I N -0.153 120.054 120.570 -0.605 0.000 2.270 372 I HA 0.005 4.175 4.170 0.000 0.000 0.239 372 I C 2.646 178.328 176.117 -0.726 0.000 1.080 372 I CA 0.995 61.671 61.300 -1.041 0.000 1.383 372 I CB -0.987 36.193 38.000 -1.366 0.000 1.097 372 I HN 0.047 nan 8.210 nan 0.000 0.420 373 G N 1.092 109.676 108.800 -0.360 0.000 2.462 373 G HA2 -0.101 3.859 3.960 0.000 0.000 0.220 373 G HA3 -0.101 3.859 3.960 0.000 0.000 0.220 373 G C 1.599 176.469 174.900 -0.049 0.000 1.121 373 G CA 1.069 46.144 45.100 -0.041 0.000 0.758 373 G HN 0.287 nan 8.290 nan 0.000 0.559 374 V N -0.507 119.310 119.914 -0.163 0.000 2.908 374 V HA 0.141 4.261 4.120 0.000 0.000 0.240 374 V C 2.612 178.635 176.094 -0.119 0.000 1.117 374 V CA 0.571 62.793 62.300 -0.130 0.000 1.133 374 V CB 0.043 31.756 31.823 -0.184 0.000 0.857 374 V HN 0.109 nan 8.190 nan 0.000 0.478 375 R N 0.731 121.123 120.500 -0.179 0.000 2.043 375 R HA 0.034 4.374 4.340 0.000 0.000 0.221 375 R C 1.962 178.185 176.300 -0.129 0.000 1.196 375 R CA 1.405 57.417 56.100 -0.147 0.000 0.949 375 R CB -1.160 29.040 30.300 -0.167 0.000 0.838 375 R HN 0.413 nan 8.270 nan 0.000 0.446 376 D N 0.663 120.890 120.400 -0.289 0.000 2.133 376 D HA -0.150 4.490 4.640 0.000 0.000 0.195 376 D C 1.815 178.032 176.300 -0.138 0.000 0.997 376 D CA 1.251 55.053 54.000 -0.330 0.000 0.840 376 D CB -0.196 39.970 40.800 -1.057 0.000 0.947 376 D HN 0.105 nan 8.370 nan 0.000 0.452 377 F N -0.051 119.794 119.950 -0.175 0.000 2.569 377 F HA 0.061 4.588 4.527 0.000 0.000 0.295 377 F C 2.204 178.032 175.800 0.046 0.000 1.115 377 F CA -0.158 57.819 58.000 -0.037 0.000 1.450 377 F CB -0.176 38.768 39.000 -0.093 0.000 1.107 377 F HN 0.033 nan 8.300 nan 0.000 0.563 378 C N -1.469 117.934 119.300 0.173 0.000 3.188 378 C HA 0.184 4.644 4.460 0.000 0.000 0.315 378 C C 0.539 175.572 174.990 0.071 0.000 1.285 378 C CA -0.629 58.456 59.018 0.111 0.000 1.729 378 C CB -0.353 27.420 27.740 0.054 0.000 2.257 378 C HN 0.102 nan 8.230 nan 0.000 0.645 379 D N 2.109 122.543 120.400 0.056 0.000 2.400 379 D HA 0.043 4.683 4.640 0.000 0.000 0.238 379 D C 1.356 177.696 176.300 0.066 0.000 1.157 379 D CA 0.717 54.741 54.000 0.039 0.000 0.889 379 D CB 0.792 41.611 40.800 0.032 0.000 1.199 379 D HN 0.396 nan 8.370 nan 0.000 0.436 380 T N -1.445 113.139 114.554 0.051 0.000 2.995 380 T HA -0.189 4.161 4.350 0.000 0.000 0.269 380 T C 1.348 176.081 174.700 0.056 0.000 1.091 380 T CA 0.620 62.755 62.100 0.058 0.000 1.128 380 T CB -0.049 68.848 68.868 0.048 0.000 0.891 380 T HN 0.499 nan 8.240 nan 0.000 0.492 381 Q N 0.599 120.430 119.800 0.052 0.000 2.373 381 Q HA 0.157 4.497 4.340 0.000 0.000 0.206 381 Q C 0.768 176.802 176.000 0.057 0.000 0.942 381 Q CA -0.082 55.750 55.803 0.048 0.000 0.953 381 Q CB 0.198 28.962 28.738 0.045 0.000 1.022 381 Q HN 0.377 nan 8.270 nan 0.000 0.502 382 R N -0.390 120.159 120.500 0.081 0.000 2.732 382 R HA 0.207 4.547 4.340 0.000 0.000 0.099 382 R C 0.816 177.164 176.300 0.078 0.000 0.977 382 R CA -0.288 55.880 56.100 0.115 0.000 0.796 382 R CB -0.889 29.549 30.300 0.231 0.000 0.680 382 R HN 0.082 nan 8.270 nan 0.000 0.360 383 Y N 2.247 122.652 120.300 0.176 0.000 2.471 383 Y HA 0.136 4.686 4.550 0.000 0.000 0.286 383 Y C 0.439 176.437 175.900 0.163 0.000 1.188 383 Y CA -0.388 57.838 58.100 0.210 0.000 1.286 383 Y CB -0.354 38.342 38.460 0.393 0.000 1.072 383 Y HN 0.328 nan 8.280 nan 0.000 0.517 384 N N 2.077 120.919 118.700 0.237 0.000 2.913 384 N HA -0.229 4.511 4.740 0.000 0.000 0.305 384 N C 0.451 176.060 175.510 0.165 0.000 1.084 384 N CA 1.020 54.171 53.050 0.168 0.000 0.811 384 N CB -0.670 37.884 38.487 0.112 0.000 0.984 384 N HN 0.721 nan 8.380 nan 0.000 0.605 385 I N -0.684 119.990 120.570 0.173 0.000 4.154 385 I HA 0.072 4.242 4.170 0.000 0.000 0.334 385 I C 1.480 177.685 176.117 0.147 0.000 1.371 385 I CA -0.639 60.739 61.300 0.131 0.000 1.110 385 I CB 0.102 38.140 38.000 0.064 0.000 1.085 385 I HN 0.143 nan 8.210 nan 0.000 0.398 386 L N 1.964 123.287 121.223 0.167 0.000 1.990 386 L HA -0.225 4.115 4.340 0.000 0.000 0.213 386 L C 2.464 179.548 176.870 0.357 0.000 1.072 386 L CA 2.677 57.648 54.840 0.218 0.000 0.755 386 L CB -0.656 41.489 42.059 0.143 0.000 0.889 386 L HN 0.584 nan 8.230 nan 0.000 0.432 387 E N -0.223 120.166 120.200 0.314 0.000 2.031 387 E HA -0.309 4.041 4.350 0.000 0.000 0.193 387 E C 1.950 178.592 176.600 0.070 0.000 0.994 387 E CA 1.549 58.065 56.400 0.193 0.000 0.800 387 E CB -0.043 29.708 29.700 0.084 0.000 0.752 387 E HN 0.375 nan 8.360 nan 0.000 0.447 388 E N 0.131 120.380 120.200 0.081 0.000 2.086 388 E HA -0.206 4.144 4.350 0.000 0.000 0.200 388 E C 1.880 178.534 176.600 0.089 0.000 1.012 388 E CA 1.992 58.425 56.400 0.056 0.000 0.812 388 E CB -0.332 29.409 29.700 0.067 0.000 0.743 388 E HN 0.244 nan 8.360 nan 0.000 0.453 389 V N -0.037 119.983 119.914 0.177 0.000 3.041 389 V HA -0.003 4.117 4.120 0.000 0.000 0.260 389 V C 2.053 178.294 176.094 0.246 0.000 1.105 389 V CA 1.381 63.858 62.300 0.295 0.000 1.125 389 V CB -0.365 31.655 31.823 0.330 0.000 0.730 389 V HN 0.460 nan 8.190 nan 0.000 0.479 390 G N 0.435 109.345 108.800 0.183 0.000 2.404 390 G HA2 -0.139 3.821 3.960 0.000 0.000 0.213 390 G HA3 -0.139 3.821 3.960 0.000 0.000 0.213 390 G C 1.719 176.566 174.900 -0.089 0.000 1.189 390 G CA 0.278 45.450 45.100 0.119 0.000 0.796 390 G HN 0.419 nan 8.290 nan 0.000 0.532 391 R N 0.176 120.571 120.500 -0.176 0.000 2.091 391 R HA 0.006 4.346 4.340 0.000 0.000 0.238 391 R C 2.631 178.800 176.300 -0.217 0.000 1.136 391 R CA 1.121 57.097 56.100 -0.206 0.000 0.959 391 R CB -0.302 29.887 30.300 -0.186 0.000 0.856 391 R HN 0.199 nan 8.270 nan 0.000 0.437 392 R N 0.109 120.437 120.500 -0.287 0.000 2.285 392 R HA 0.027 4.367 4.340 0.000 0.000 0.213 392 R C 1.877 177.822 176.300 -0.592 0.000 1.068 392 R CA 0.926 56.654 56.100 -0.620 0.000 1.004 392 R CB 0.026 29.670 30.300 -1.093 0.000 0.873 392 R HN 0.243 nan 8.270 nan 0.000 0.467 393 M N -1.068 118.427 119.600 -0.175 0.000 2.502 393 M HA 0.151 4.631 4.480 0.000 0.000 0.243 393 M C 0.748 177.065 176.300 0.029 0.000 1.130 393 M CA 0.511 55.870 55.300 0.098 0.000 1.055 393 M CB 0.866 33.608 32.600 0.235 0.000 1.457 393 M HN 0.362 nan 8.290 nan 0.000 0.488 394 G N 2.330 111.086 108.800 -0.072 0.000 2.198 394 G HA2 -0.228 3.732 3.960 0.000 0.000 0.257 394 G HA3 -0.228 3.732 3.960 0.000 0.000 0.257 394 G C -0.181 174.697 174.900 -0.038 0.000 1.042 394 G CA -0.074 44.984 45.100 -0.070 0.000 0.791 394 G HN 0.396 nan 8.290 nan 0.000 0.502 395 L N -0.962 120.236 121.223 -0.042 0.000 2.387 395 L HA 0.470 4.810 4.340 0.000 0.000 0.266 395 L C 1.035 177.822 176.870 -0.138 0.000 1.059 395 L CA -0.967 53.865 54.840 -0.014 0.000 0.801 395 L CB 0.770 42.893 42.059 0.107 0.000 1.223 395 L HN 0.099 nan 8.230 nan 0.000 0.456 396 E N 0.446 120.592 120.200 -0.090 0.000 2.053 396 E HA -0.014 4.336 4.350 0.000 0.000 0.297 396 E C 0.291 176.600 176.600 -0.484 0.000 1.173 396 E CA -0.146 56.161 56.400 -0.154 0.000 1.219 396 E CB -0.115 29.581 29.700 -0.007 0.000 1.103 396 E HN 0.545 nan 8.360 nan 0.000 0.476 397 T N 0.746 114.780 114.554 -0.866 0.000 3.139 397 T HA -0.118 4.232 4.350 0.000 0.000 0.267 397 T C 0.771 174.815 174.700 -1.094 0.000 1.164 397 T CA 0.815 61.896 62.100 -1.698 0.000 1.075 397 T CB -0.126 67.870 68.868 -1.452 0.000 0.904 397 T HN 0.444 nan 8.240 nan 0.000 0.540 398 H N -0.303 118.564 119.070 -0.338 0.000 2.893 398 H HA 0.204 4.760 4.556 0.000 0.000 0.270 398 H C 0.338 175.681 175.328 0.026 0.000 1.095 398 H CA 0.155 56.143 56.048 -0.100 0.000 1.186 398 H CB 0.915 30.623 29.762 -0.090 0.000 1.562 398 H HN 0.180 nan 8.280 nan 0.000 0.536 399 T N 2.819 117.457 114.554 0.141 0.000 3.378 399 T HA 0.060 4.410 4.350 0.000 0.000 0.359 399 T C 1.424 176.294 174.700 0.283 0.000 1.815 399 T CA -0.209 62.000 62.100 0.181 0.000 1.509 399 T CB 0.607 69.551 68.868 0.127 0.000 1.049 399 T HN 0.005 nan 8.240 nan 0.000 0.705 400 L N 2.536 123.946 121.223 0.312 0.000 2.149 400 L HA -0.291 4.050 4.340 0.000 0.000 0.223 400 L C 2.419 179.374 176.870 0.142 0.000 1.089 400 L CA 2.426 57.420 54.840 0.258 0.000 0.800 400 L CB -0.725 41.428 42.059 0.157 0.000 0.897 400 L HN 0.609 nan 8.230 nan 0.000 0.443 401 A N -1.761 121.132 122.820 0.121 0.000 2.216 401 A HA -0.108 4.212 4.320 0.000 0.000 0.214 401 A C 2.217 179.857 177.584 0.093 0.000 1.160 401 A CA 1.308 53.392 52.037 0.080 0.000 0.725 401 A CB -0.840 18.200 19.000 0.067 0.000 0.784 401 A HN 0.684 nan 8.150 nan 0.000 0.472 402 S N -0.578 115.217 115.700 0.158 0.000 2.607 402 S HA 0.159 4.629 4.470 0.000 0.000 0.224 402 S C 0.865 175.556 174.600 0.151 0.000 0.969 402 S CA 0.504 58.805 58.200 0.168 0.000 0.927 402 S CB -0.740 62.597 63.200 0.229 0.000 0.772 402 S HN 0.750 nan 8.310 nan 0.000 0.533 403 L N 0.293 121.563 121.223 0.078 0.000 4.001 403 L HA -0.194 4.146 4.340 0.000 0.000 0.413 403 L C 1.756 178.613 176.870 -0.021 0.000 1.185 403 L CA 0.915 55.739 54.840 -0.027 0.000 0.963 403 L CB -2.531 39.528 42.059 -0.001 0.000 1.976 403 L HN 0.765 nan 8.230 nan 0.000 0.939 404 W N 0.293 121.601 121.300 0.013 0.000 2.374 404 W HA -0.150 4.510 4.660 0.000 0.000 0.288 404 W C 1.711 178.238 176.519 0.014 0.000 1.218 404 W CA 1.262 58.615 57.345 0.014 0.000 1.245 404 W CB -0.772 28.690 29.460 0.004 0.000 1.126 404 W HN 0.255 nan 8.180 nan 0.000 0.545 405 K N 0.936 120.746 120.400 -0.982 0.000 2.147 405 K HA -0.166 4.154 4.320 0.000 0.000 0.205 405 K C 1.451 177.855 176.600 -0.327 0.000 1.049 405 K CA 2.269 58.025 56.287 -0.886 0.000 0.936 405 K CB -0.239 31.640 32.500 -1.034 0.000 0.722 405 K HN 0.085 nan 8.250 nan 0.000 0.446 406 D N 0.100 120.366 120.400 -0.224 0.000 2.091 406 D HA -0.103 4.537 4.640 0.000 0.000 0.199 406 D C 1.907 178.186 176.300 -0.035 0.000 0.980 406 D CA 0.889 54.825 54.000 -0.107 0.000 0.831 406 D CB -0.019 40.734 40.800 -0.078 0.000 0.987 406 D HN -0.022 nan 8.370 nan 0.000 0.460 407 R N 0.789 121.296 120.500 0.011 0.000 2.094 407 R HA -0.120 4.220 4.340 0.000 0.000 0.239 407 R C 2.070 178.411 176.300 0.068 0.000 1.137 407 R CA 1.727 57.865 56.100 0.063 0.000 0.943 407 R CB -0.692 29.680 30.300 0.120 0.000 0.850 407 R HN 0.179 nan 8.270 nan 0.000 0.433 408 A N -0.324 122.558 122.820 0.104 0.000 1.841 408 A HA -0.196 4.124 4.320 0.000 0.000 0.216 408 A C 2.307 179.926 177.584 0.057 0.000 1.199 408 A CA 1.971 54.083 52.037 0.125 0.000 0.621 408 A CB -1.350 17.790 19.000 0.233 0.000 0.835 408 A HN 0.275 nan 8.150 nan 0.000 0.445 409 V N 0.078 120.002 119.914 0.016 0.000 2.380 409 V HA -0.262 3.858 4.120 0.000 0.000 0.251 409 V C 2.560 178.641 176.094 -0.022 0.000 1.063 409 V CA 3.084 65.380 62.300 -0.006 0.000 1.055 409 V CB -0.996 30.797 31.823 -0.050 0.000 0.657 409 V HN 0.703 nan 8.190 nan 0.000 0.455 410 T N -0.301 114.241 114.554 -0.020 0.000 2.746 410 T HA -0.152 4.198 4.350 0.000 0.000 0.267 410 T C 1.798 176.468 174.700 -0.049 0.000 1.039 410 T CA 1.559 63.647 62.100 -0.019 0.000 1.142 410 T CB -0.288 68.584 68.868 0.007 0.000 0.866 410 T HN 0.509 nan 8.240 nan 0.000 0.444 411 E N 1.088 121.255 120.200 -0.055 0.000 2.077 411 E HA -0.040 4.310 4.350 0.000 0.000 0.193 411 E C 2.256 178.721 176.600 -0.224 0.000 0.989 411 E CA 0.784 57.106 56.400 -0.130 0.000 0.800 411 E CB -0.537 29.055 29.700 -0.180 0.000 0.746 411 E HN 0.532 nan 8.360 nan 0.000 0.452 412 I N 1.570 122.075 120.570 -0.109 0.000 2.208 412 I HA -0.294 3.876 4.170 0.000 0.000 0.245 412 I C 2.111 178.179 176.117 -0.081 0.000 1.097 412 I CA 0.938 62.208 61.300 -0.050 0.000 1.363 412 I CB -0.435 37.630 38.000 0.109 0.000 1.051 412 I HN 0.089 nan 8.210 nan 0.000 0.413 413 N N 0.743 119.397 118.700 -0.077 0.000 2.069 413 N HA -0.173 4.567 4.740 0.000 0.000 0.191 413 N C 1.991 177.435 175.510 -0.110 0.000 1.031 413 N CA 1.702 54.703 53.050 -0.083 0.000 0.852 413 N CB -0.388 38.054 38.487 -0.075 0.000 1.018 413 N HN 0.333 nan 8.380 nan 0.000 0.423 414 V N 1.057 120.874 119.914 -0.163 0.000 2.759 414 V HA -0.064 4.056 4.120 0.000 0.000 0.256 414 V C 2.150 178.076 176.094 -0.280 0.000 1.080 414 V CA 1.802 63.980 62.300 -0.205 0.000 1.101 414 V CB -0.570 31.103 31.823 -0.249 0.000 0.698 414 V HN 0.240 nan 8.190 nan 0.000 0.477 415 A N -0.065 122.514 122.820 -0.402 0.000 1.855 415 A HA -0.086 4.234 4.320 0.000 0.000 0.215 415 A C 2.375 179.920 177.584 -0.065 0.000 1.191 415 A CA 2.117 53.920 52.037 -0.389 0.000 0.613 415 A CB -0.940 17.611 19.000 -0.747 0.000 0.829 415 A HN 0.457 nan 8.150 nan 0.000 0.442 416 V N -0.254 119.657 119.914 -0.004 0.000 2.255 416 V HA -0.252 3.868 4.120 0.000 0.000 0.247 416 V C 2.543 178.676 176.094 0.065 0.000 1.051 416 V CA 2.091 64.442 62.300 0.085 0.000 1.018 416 V CB -0.753 31.054 31.823 -0.027 0.000 0.641 416 V HN 0.509 nan 8.190 nan 0.000 0.445 417 L N -0.394 120.817 121.223 -0.020 0.000 1.989 417 L HA -0.231 4.109 4.340 0.000 0.000 0.211 417 L C 2.450 179.365 176.870 0.076 0.000 1.071 417 L CA 2.433 57.270 54.840 -0.005 0.000 0.749 417 L CB -1.291 40.758 42.059 -0.015 0.000 0.890 417 L HN 0.529 nan 8.230 nan 0.000 0.431 418 H N -1.276 117.760 119.070 -0.057 0.000 2.265 418 H HA -0.186 4.370 4.556 0.000 0.000 0.295 418 H C 2.176 177.510 175.328 0.010 0.000 1.084 418 H CA 1.822 57.837 56.048 -0.054 0.000 1.261 418 H CB 0.332 30.010 29.762 -0.140 0.000 1.360 418 H HN 0.336 nan 8.280 nan 0.000 0.487 419 S N 0.404 115.998 115.700 -0.176 0.000 2.359 419 S HA -0.184 4.286 4.470 0.000 0.000 0.223 419 S C 1.965 176.523 174.600 -0.070 0.000 1.039 419 S CA 1.627 59.709 58.200 -0.196 0.000 1.042 419 S CB -0.679 62.502 63.200 -0.032 0.000 0.915 419 S HN 0.318 nan 8.310 nan 0.000 0.439 420 F N 1.592 121.476 119.950 -0.110 0.000 2.161 420 F HA -0.159 4.368 4.527 0.000 0.000 0.300 420 F C 2.728 178.477 175.800 -0.086 0.000 1.089 420 F CA 1.360 59.313 58.000 -0.079 0.000 1.282 420 F CB -0.640 38.323 39.000 -0.061 0.000 1.010 420 F HN 0.180 nan 8.300 nan 0.000 0.485 421 Q N 0.293 120.155 119.800 0.103 0.000 2.050 421 Q HA -0.238 4.102 4.340 0.000 0.000 0.202 421 Q C 2.325 178.312 176.000 -0.022 0.000 0.980 421 Q CA 2.033 57.858 55.803 0.037 0.000 0.840 421 Q CB -0.184 28.589 28.738 0.058 0.000 0.898 421 Q HN 0.336 nan 8.270 nan 0.000 0.424 422 K N -0.017 120.324 120.400 -0.099 0.000 2.026 422 K HA -0.199 4.121 4.320 0.000 0.000 0.208 422 K C 1.408 177.948 176.600 -0.099 0.000 1.048 422 K CA 1.718 57.929 56.287 -0.126 0.000 0.929 422 K CB 0.038 32.373 32.500 -0.275 0.000 0.713 422 K HN 0.213 nan 8.250 nan 0.000 0.439 423 Q N 0.580 120.307 119.800 -0.122 0.000 2.322 423 Q HA 0.109 4.449 4.340 0.000 0.000 0.203 423 Q C -0.611 175.331 176.000 -0.097 0.000 0.923 423 Q CA -0.109 55.624 55.803 -0.117 0.000 0.949 423 Q CB 0.324 28.965 28.738 -0.163 0.000 1.039 423 Q HN 0.321 nan 8.270 nan 0.000 0.496 424 N N -0.236 118.424 118.700 -0.067 0.000 2.735 424 N HA -0.145 4.595 4.740 0.000 0.000 0.248 424 N C -1.283 174.198 175.510 -0.048 0.000 1.083 424 N CA 0.590 53.610 53.050 -0.050 0.000 0.703 424 N CB -1.328 37.129 38.487 -0.049 0.000 1.005 424 N HN 0.048 nan 8.380 nan 0.000 0.550 425 V N 0.896 120.790 119.914 -0.032 0.000 2.398 425 V HA 0.252 4.372 4.120 0.000 0.000 0.286 425 V C 1.002 177.182 176.094 0.143 0.000 1.026 425 V CA -0.598 61.711 62.300 0.015 0.000 0.868 425 V CB 1.951 33.700 31.823 -0.124 0.000 0.982 425 V HN 0.138 nan 8.190 nan 0.000 0.443 426 T N 6.235 120.813 114.554 0.039 0.000 2.946 426 T HA 0.412 4.762 4.350 0.000 0.000 0.311 426 T C -0.214 174.478 174.700 -0.014 0.000 1.063 426 T CA 0.832 62.860 62.100 -0.120 0.000 1.139 426 T CB 0.144 68.779 68.868 -0.388 0.000 0.994 426 T HN 0.598 nan 8.240 nan 0.000 0.547 427 I N 1.983 122.456 120.570 -0.162 0.000 2.793 427 I HA 0.453 4.623 4.170 0.000 0.000 0.295 427 I C -1.759 174.302 176.117 -0.093 0.000 1.610 427 I CA -0.879 60.349 61.300 -0.120 0.000 0.986 427 I CB 1.885 39.725 38.000 -0.267 0.000 1.402 427 I HN 0.643 nan 8.210 nan 0.000 0.500 428 M N 6.426 126.045 119.600 0.032 0.000 2.395 428 M HA 0.381 4.861 4.480 0.000 0.000 0.307 428 M C -1.384 174.967 176.300 0.085 0.000 1.091 428 M CA -0.631 54.724 55.300 0.092 0.000 0.919 428 M CB 1.634 34.388 32.600 0.256 0.000 1.662 428 M HN 0.562 nan 8.290 nan 0.000 0.440 429 D N 3.741 124.191 120.400 0.084 0.000 2.372 429 D HA -0.002 4.639 4.640 0.000 0.000 0.243 429 D C 0.677 177.057 176.300 0.133 0.000 1.121 429 D CA -0.131 53.945 54.000 0.127 0.000 0.898 429 D CB 0.615 41.480 40.800 0.108 0.000 1.202 429 D HN 0.852 nan 8.370 nan 0.000 0.428 430 H N 1.529 120.578 119.070 -0.034 0.000 2.489 430 H HA -0.154 4.402 4.556 0.000 0.000 0.293 430 H C 1.136 176.377 175.328 -0.144 0.000 1.066 430 H CA 1.188 57.164 56.048 -0.120 0.000 1.305 430 H CB -0.657 28.976 29.762 -0.215 0.000 1.386 430 H HN 0.569 nan 8.280 nan 0.000 0.551 431 H N 0.557 119.423 119.070 -0.339 0.000 2.395 431 H HA -0.008 4.548 4.556 0.000 0.000 0.299 431 H C 1.651 176.943 175.328 -0.059 0.000 1.070 431 H CA 1.798 57.711 56.048 -0.225 0.000 1.356 431 H CB 0.084 29.683 29.762 -0.271 0.000 1.401 431 H HN 0.409 nan 8.280 nan 0.000 0.524 432 T N 0.737 115.346 114.554 0.092 0.000 2.942 432 T HA 0.044 4.394 4.350 0.000 0.000 0.265 432 T C 2.314 177.082 174.700 0.113 0.000 1.062 432 T CA 0.742 62.900 62.100 0.096 0.000 1.139 432 T CB -0.146 68.775 68.868 0.089 0.000 0.883 432 T HN 0.384 nan 8.240 nan 0.000 0.468 433 A N 1.430 124.316 122.820 0.111 0.000 1.877 433 A HA -0.083 4.237 4.320 0.000 0.000 0.216 433 A C 2.595 180.263 177.584 0.140 0.000 1.186 433 A CA 1.892 54.008 52.037 0.132 0.000 0.620 433 A CB -0.949 18.116 19.000 0.109 0.000 0.822 433 A HN 0.408 nan 8.150 nan 0.000 0.443 434 S N -0.194 115.565 115.700 0.098 0.000 2.354 434 S HA -0.191 4.279 4.470 0.000 0.000 0.219 434 S C 1.863 176.564 174.600 0.168 0.000 1.035 434 S CA 1.592 59.867 58.200 0.125 0.000 1.037 434 S CB -0.464 62.777 63.200 0.068 0.000 0.956 434 S HN 0.691 nan 8.310 nan 0.000 0.428 435 E N 0.769 121.046 120.200 0.128 0.000 2.187 435 E HA -0.173 4.177 4.350 0.000 0.000 0.199 435 E C 2.229 178.904 176.600 0.126 0.000 1.004 435 E CA 1.226 57.696 56.400 0.115 0.000 0.813 435 E CB -0.265 29.490 29.700 0.091 0.000 0.736 435 E HN 0.392 nan 8.360 nan 0.000 0.468 436 S N 0.352 116.142 115.700 0.151 0.000 2.348 436 S HA -0.173 4.297 4.470 0.000 0.000 0.221 436 S C 1.729 176.448 174.600 0.198 0.000 1.033 436 S CA 0.956 59.255 58.200 0.165 0.000 1.010 436 S CB -0.300 63.010 63.200 0.183 0.000 0.891 436 S HN 0.337 nan 8.310 nan 0.000 0.442 437 F N 1.734 121.741 119.950 0.096 0.000 2.171 437 F HA -0.003 4.524 4.527 0.000 0.000 0.300 437 F C 2.157 178.034 175.800 0.129 0.000 1.090 437 F CA 1.387 59.455 58.000 0.114 0.000 1.293 437 F CB -0.310 38.736 39.000 0.077 0.000 1.013 437 F HN 0.198 nan 8.300 nan 0.000 0.486 438 M N 0.124 119.785 119.600 0.101 0.000 2.080 438 M HA -0.203 4.277 4.480 0.000 0.000 0.260 438 M C 2.243 178.494 176.300 -0.082 0.000 1.068 438 M CA 1.656 56.955 55.300 -0.002 0.000 1.109 438 M CB -1.079 31.567 32.600 0.077 0.000 1.342 438 M HN 0.094 nan 8.290 nan 0.000 0.405 439 K N -0.260 120.130 120.400 -0.016 0.000 1.985 439 K HA -0.213 4.107 4.320 0.000 0.000 0.210 439 K C 1.983 178.543 176.600 -0.066 0.000 1.047 439 K CA 2.056 58.331 56.287 -0.021 0.000 0.932 439 K CB -0.892 31.628 32.500 0.034 0.000 0.716 439 K HN 0.376 nan 8.250 nan 0.000 0.439 440 H N -0.216 118.770 119.070 -0.139 0.000 2.394 440 H HA -0.173 4.383 4.556 0.000 0.000 0.297 440 H C 1.981 177.148 175.328 -0.268 0.000 1.113 440 H CA 2.619 58.562 56.048 -0.175 0.000 1.277 440 H CB -0.145 29.502 29.762 -0.193 0.000 1.370 440 H HN 0.323 nan 8.280 nan 0.000 0.506 441 M N 0.010 119.304 119.600 -0.510 0.000 2.132 441 M HA -0.193 4.287 4.480 0.000 0.000 0.263 441 M C 2.575 178.717 176.300 -0.263 0.000 1.065 441 M CA 2.068 57.084 55.300 -0.473 0.000 1.122 441 M CB -0.126 32.187 32.600 -0.478 0.000 1.365 441 M HN 0.670 nan 8.290 nan 0.000 0.411 442 Q N -0.161 119.509 119.800 -0.216 0.000 2.124 442 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 442 Q C 1.288 177.229 176.000 -0.098 0.000 0.977 442 Q CA 1.854 57.575 55.803 -0.138 0.000 0.850 442 Q CB -0.567 28.108 28.738 -0.106 0.000 0.901 442 Q HN 0.518 nan 8.270 nan 0.000 0.429 443 N N 0.866 119.478 118.700 -0.147 0.000 2.142 443 N HA -0.169 4.571 4.740 0.000 0.000 0.186 443 N C 1.590 176.996 175.510 -0.173 0.000 1.023 443 N CA 1.577 54.551 53.050 -0.128 0.000 0.852 443 N CB -0.235 38.185 38.487 -0.111 0.000 0.998 443 N HN 0.367 nan 8.380 nan 0.000 0.424 444 E N -0.093 119.912 120.200 -0.326 0.000 2.265 444 E HA -0.107 4.243 4.350 0.000 0.000 0.196 444 E C 1.239 177.733 176.600 -0.176 0.000 0.996 444 E CA 0.806 56.997 56.400 -0.348 0.000 0.832 444 E CB -0.059 29.295 29.700 -0.577 0.000 0.756 444 E HN 0.369 nan 8.360 nan 0.000 0.491 445 Y N -0.302 119.874 120.300 -0.206 0.000 2.262 445 Y HA 0.145 4.695 4.550 0.000 0.000 0.295 445 Y C 2.130 177.971 175.900 -0.099 0.000 1.121 445 Y CA 0.885 58.909 58.100 -0.127 0.000 1.144 445 Y CB -0.015 38.380 38.460 -0.108 0.000 1.043 445 Y HN -0.085 nan 8.280 nan 0.000 0.528 446 R N 0.591 121.116 120.500 0.043 0.000 2.377 446 R HA -0.066 4.274 4.340 0.000 0.000 0.207 446 R C 0.733 177.012 176.300 -0.035 0.000 1.075 446 R CA 0.733 56.834 56.100 0.001 0.000 1.035 446 R CB -0.194 30.103 30.300 -0.006 0.000 0.857 446 R HN 0.367 nan 8.270 nan 0.000 0.475 447 A N 0.707 123.482 122.820 -0.075 0.000 3.078 447 A HA 0.109 4.429 4.320 0.000 0.000 0.206 447 A C 0.980 178.498 177.584 -0.110 0.000 1.967 447 A CA -0.265 51.719 52.037 -0.088 0.000 1.845 447 A CB -0.181 18.747 19.000 -0.120 0.000 1.345 447 A HN 0.326 nan 8.150 nan 0.000 0.393 448 R N 0.906 121.317 120.500 -0.149 0.000 2.395 448 R HA 0.124 4.464 4.340 0.000 0.000 0.202 448 R C 0.687 176.876 176.300 -0.187 0.000 1.088 448 R CA 0.692 56.704 56.100 -0.147 0.000 1.090 448 R CB -1.513 28.692 30.300 -0.158 0.000 0.876 448 R HN 1.487 nan 8.270 nan 0.000 0.477 449 G N 0.478 109.146 108.800 -0.220 0.000 2.342 449 G HA2 0.008 3.968 3.960 0.000 0.000 0.267 449 G HA3 0.008 3.968 3.960 0.000 0.000 0.267 449 G C 0.294 174.878 174.900 -0.527 0.000 0.922 449 G CA 0.412 45.334 45.100 -0.296 0.000 1.342 449 G HN 0.935 nan 8.290 nan 0.000 0.430 450 G N -1.451 106.688 108.800 -1.101 0.000 2.347 450 G HA2 0.513 4.473 3.960 0.000 0.000 0.477 450 G HA3 0.513 4.473 3.960 0.000 0.000 0.477 450 G C -0.408 174.084 174.900 -0.680 0.000 1.349 450 G CA 0.405 44.752 45.100 -1.255 0.000 1.000 450 G HN 2.459 nan 8.290 nan 0.000 0.605 451 C N 1.904 121.116 119.300 -0.146 0.000 3.096 451 C HA 0.549 5.009 4.460 0.000 0.000 0.391 451 C C -2.592 172.406 174.990 0.013 0.000 1.085 451 C CA -0.785 58.241 59.018 0.014 0.000 1.289 451 C CB 1.067 28.891 27.740 0.139 0.000 1.685 451 C HN 0.788 nan 8.230 nan 0.000 0.515 452 P HA 0.306 nan 4.420 nan 0.000 0.263 452 P C -0.251 176.959 177.300 -0.150 0.000 1.247 452 P CA 0.836 63.568 63.100 -0.614 0.000 0.876 452 P CB 0.509 31.686 31.700 -0.873 0.000 0.928 453 A N 3.340 126.156 122.820 -0.007 0.000 2.337 453 A HA 0.458 4.778 4.320 0.000 0.000 0.329 453 A C -0.327 177.324 177.584 0.112 0.000 1.146 453 A CA -0.551 51.572 52.037 0.143 0.000 0.800 453 A CB 1.000 20.186 19.000 0.310 0.000 1.220 453 A HN 0.439 nan 8.150 nan 0.000 0.472 454 D N 1.967 122.430 120.400 0.105 0.000 2.458 454 D HA 0.083 4.723 4.640 0.000 0.000 0.258 454 D C 0.721 177.160 176.300 0.230 0.000 1.134 454 D CA -0.620 53.472 54.000 0.153 0.000 0.915 454 D CB 0.217 41.057 40.800 0.067 0.000 1.028 454 D HN 0.615 nan 8.370 nan 0.000 0.508 455 W N 4.319 125.666 121.300 0.078 0.000 2.280 455 W HA -0.306 4.354 4.660 0.000 0.000 0.332 455 W C 1.860 178.429 176.519 0.084 0.000 1.300 455 W CA 1.682 59.059 57.345 0.053 0.000 1.274 455 W CB -0.239 29.224 29.460 0.005 0.000 1.141 455 W HN 0.469 nan 8.180 nan 0.000 0.474 456 I N -1.019 119.842 120.570 0.484 0.000 2.479 456 I HA -0.322 3.848 4.170 0.000 0.000 0.258 456 I C 1.538 177.763 176.117 0.179 0.000 1.165 456 I CA 1.511 63.032 61.300 0.369 0.000 1.422 456 I CB -0.605 37.661 38.000 0.443 0.000 1.087 456 I HN 0.197 nan 8.210 nan 0.000 0.441 457 W N -0.503 120.751 121.300 -0.078 0.000 2.842 457 W HA 0.204 4.864 4.660 0.000 0.000 0.267 457 W C 1.989 178.376 176.519 -0.220 0.000 1.219 457 W CA -0.067 57.207 57.345 -0.119 0.000 1.458 457 W CB -0.292 29.129 29.460 -0.065 0.000 1.006 457 W HN -0.105 nan 8.180 nan 0.000 0.603 458 L N 0.074 121.228 121.223 -0.116 0.000 2.554 458 L HA 0.103 4.443 4.340 0.000 0.000 0.226 458 L C 0.409 177.074 176.870 -0.342 0.000 1.137 458 L CA 0.252 54.914 54.840 -0.298 0.000 0.863 458 L CB -0.518 41.288 42.059 -0.422 0.000 0.985 458 L HN -0.380 nan 8.230 nan 0.000 0.451 459 V N 1.451 121.096 119.914 -0.448 0.000 2.383 459 V HA 0.242 4.362 4.120 0.000 0.000 0.275 459 V C -1.888 174.027 176.094 -0.298 0.000 1.036 459 V CA -1.577 60.448 62.300 -0.459 0.000 0.889 459 V CB 1.191 32.496 31.823 -0.863 0.000 0.985 459 V HN 0.012 nan 8.190 nan 0.000 0.459 460 P HA 0.058 nan 4.420 nan 0.000 0.265 460 P C -1.852 175.331 177.300 -0.194 0.000 1.187 460 P CA -0.817 62.176 63.100 -0.178 0.000 0.766 460 P CB 0.117 31.767 31.700 -0.084 0.000 0.820 461 P HA -0.068 nan 4.420 nan 0.000 0.236 461 P C -0.387 176.811 177.300 -0.170 0.000 1.172 461 P CA 0.981 63.964 63.100 -0.195 0.000 0.759 461 P CB 0.055 31.628 31.700 -0.212 0.000 0.843 462 V N -5.995 113.810 119.914 -0.182 0.000 3.077 462 V HA 0.404 4.524 4.120 0.000 0.000 0.299 462 V C 0.164 176.212 176.094 -0.076 0.000 1.276 462 V CA -1.074 61.142 62.300 -0.140 0.000 0.993 462 V CB 1.175 32.892 31.823 -0.177 0.000 1.076 462 V HN -0.120 nan 8.190 nan 0.000 0.434 463 S N 1.181 116.861 115.700 -0.034 0.000 3.706 463 S HA -0.167 4.303 4.470 0.000 0.000 0.363 463 S C 1.536 176.098 174.600 -0.063 0.000 0.999 463 S CA 1.079 59.279 58.200 -0.000 0.000 1.143 463 S CB -1.339 61.939 63.200 0.131 0.000 0.902 463 S HN 1.975 nan 8.310 nan 0.000 0.476 464 G N 2.366 111.093 108.800 -0.123 0.000 2.587 464 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 464 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 464 G C 1.452 176.155 174.900 -0.328 0.000 1.240 464 G CA 1.285 46.294 45.100 -0.152 0.000 0.794 464 G HN 1.184 nan 8.290 nan 0.000 0.580 465 S N 0.328 115.541 115.700 -0.812 0.000 2.507 465 S HA 0.070 4.540 4.470 0.000 0.000 0.235 465 S C 2.019 176.559 174.600 -0.100 0.000 0.988 465 S CA 0.473 58.134 58.200 -0.898 0.000 0.944 465 S CB -0.040 62.544 63.200 -1.027 0.000 0.762 465 S HN 0.193 nan 8.310 nan 0.000 0.526 466 I N 1.904 122.437 120.570 -0.061 0.000 3.111 466 I HA 0.066 4.236 4.170 0.000 0.000 0.272 466 I C 0.722 176.909 176.117 0.118 0.000 1.268 466 I CA 0.646 61.984 61.300 0.065 0.000 1.467 466 I CB -1.514 36.546 38.000 0.100 0.000 1.087 466 I HN 0.258 nan 8.210 nan 0.000 0.467 467 T N 2.169 116.772 114.554 0.082 0.000 2.882 467 T HA 0.196 4.546 4.350 0.000 0.000 0.287 467 T C -1.421 173.425 174.700 0.243 0.000 0.992 467 T CA -1.069 61.096 62.100 0.108 0.000 1.076 467 T CB 2.266 71.147 68.868 0.022 0.000 0.961 467 T HN -0.075 nan 8.240 nan 0.000 0.490 468 P HA -0.140 nan 4.420 nan 0.000 0.214 468 P C 1.850 179.328 177.300 0.296 0.000 1.163 468 P CA 0.871 64.122 63.100 0.253 0.000 0.883 468 P CB -0.164 31.639 31.700 0.172 0.000 0.788 469 V N -2.506 117.544 119.914 0.227 0.000 2.392 469 V HA -0.281 3.839 4.120 0.000 0.000 0.249 469 V C 2.125 178.356 176.094 0.229 0.000 1.059 469 V CA 1.792 64.217 62.300 0.208 0.000 1.051 469 V CB -2.126 29.766 31.823 0.116 0.000 0.658 469 V HN -0.026 nan 8.190 nan 0.000 0.455 470 F N 1.932 121.897 119.950 0.026 0.000 2.184 470 F HA -0.207 4.320 4.527 0.000 0.000 0.301 470 F C 2.210 178.176 175.800 0.275 0.000 1.076 470 F CA 2.308 60.358 58.000 0.084 0.000 1.295 470 F CB -0.436 38.504 39.000 -0.100 0.000 1.026 470 F HN 0.346 nan 8.300 nan 0.000 0.494 471 H N -0.491 118.909 119.070 0.550 0.000 2.567 471 H HA 0.186 4.742 4.556 0.000 0.000 0.294 471 H C -0.062 175.486 175.328 0.367 0.000 1.050 471 H CA 0.122 56.441 56.048 0.450 0.000 1.168 471 H CB -0.183 29.837 29.762 0.430 0.000 1.422 471 H HN 0.283 nan 8.280 nan 0.000 0.562 472 Q N 1.462 121.505 119.800 0.405 0.000 2.325 472 Q HA 0.221 4.561 4.340 0.000 0.000 0.270 472 Q C -0.693 175.471 176.000 0.273 0.000 1.020 472 Q CA -0.563 55.412 55.803 0.286 0.000 0.785 472 Q CB 1.335 30.211 28.738 0.230 0.000 1.259 472 Q HN 0.213 nan 8.270 nan 0.000 0.452 473 E N 3.467 123.774 120.200 0.177 0.000 2.374 473 E HA 0.523 4.873 4.350 0.000 0.000 0.260 473 E C -0.280 176.388 176.600 0.113 0.000 1.101 473 E CA 0.019 56.487 56.400 0.114 0.000 0.907 473 E CB 0.809 30.567 29.700 0.097 0.000 1.014 473 E HN 0.715 nan 8.360 nan 0.000 0.427 474 M N -0.078 119.593 119.600 0.119 0.000 2.732 474 M HA 0.442 4.922 4.480 0.000 0.000 0.272 474 M C -1.910 174.472 176.300 0.137 0.000 1.203 474 M CA -1.040 54.350 55.300 0.149 0.000 0.841 474 M CB 1.023 33.757 32.600 0.223 0.000 1.685 474 M HN 0.184 nan 8.290 nan 0.000 0.492 475 L N 2.201 123.529 121.223 0.175 0.000 2.341 475 L HA 0.581 4.921 4.340 0.000 0.000 0.278 475 L C -0.708 176.224 176.870 0.103 0.000 1.005 475 L CA -0.113 54.832 54.840 0.175 0.000 0.818 475 L CB 1.797 44.005 42.059 0.247 0.000 1.259 475 L HN 0.757 nan 8.230 nan 0.000 0.418 476 N N 2.711 121.414 118.700 0.006 0.000 2.430 476 N HA 0.634 5.374 4.740 0.000 0.000 0.292 476 N C -1.752 173.477 175.510 -0.469 0.000 1.051 476 N CA -0.279 52.661 53.050 -0.183 0.000 0.917 476 N CB 0.895 39.416 38.487 0.057 0.000 1.164 476 N HN 0.391 nan 8.380 nan 0.000 0.484 477 Y N -0.075 119.956 120.300 -0.449 0.000 2.409 477 Y HA 0.367 4.917 4.550 0.000 0.000 0.321 477 Y C -1.097 174.695 175.900 -0.180 0.000 1.209 477 Y CA -1.336 56.400 58.100 -0.607 0.000 1.086 477 Y CB -0.165 38.066 38.460 -0.381 0.000 1.320 477 Y HN 0.070 nan 8.280 nan 0.000 0.440 478 V N 5.049 124.968 119.914 0.009 0.000 2.740 478 V HA 0.267 4.387 4.120 0.000 0.000 0.303 478 V C 0.375 176.394 176.094 -0.125 0.000 1.054 478 V CA 0.270 62.402 62.300 -0.280 0.000 1.106 478 V CB 0.714 32.243 31.823 -0.489 0.000 0.957 478 V HN 0.838 nan 8.190 nan 0.000 0.486 479 L N 2.736 123.892 121.223 -0.111 0.000 2.816 479 L HA 0.789 5.129 4.340 0.000 0.000 0.245 479 L C -0.228 176.672 176.870 0.051 0.000 1.687 479 L CA -0.600 54.263 54.840 0.039 0.000 1.762 479 L CB 1.677 43.806 42.059 0.118 0.000 2.007 479 L HN 0.604 nan 8.230 nan 0.000 0.558 480 S N -0.029 115.724 115.700 0.088 0.000 2.556 480 S HA 0.505 4.975 4.470 0.000 0.000 0.280 480 S C -2.935 171.709 174.600 0.072 0.000 1.141 480 S CA -0.833 57.421 58.200 0.089 0.000 0.883 480 S CB 1.969 65.189 63.200 0.033 0.000 1.103 480 S HN 0.316 nan 8.310 nan 0.000 0.453 481 P HA 0.401 nan 4.420 nan 0.000 0.272 481 P C -1.080 176.242 177.300 0.036 0.000 1.240 481 P CA -0.192 62.896 63.100 -0.020 0.000 0.791 481 P CB 0.277 31.882 31.700 -0.158 0.000 0.978 482 F N 0.218 120.085 119.950 -0.139 0.000 2.645 482 F HA 0.447 4.974 4.527 0.000 0.000 0.310 482 F C -1.387 174.267 175.800 -0.243 0.000 1.102 482 F CA -0.984 56.878 58.000 -0.230 0.000 0.952 482 F CB 1.499 40.367 39.000 -0.221 0.000 1.326 482 F HN 0.117 nan 8.300 nan 0.000 0.456 483 Y N 3.849 123.846 120.300 -0.505 0.000 2.385 483 Y HA 0.429 4.979 4.550 0.000 0.000 0.341 483 Y C -1.043 174.832 175.900 -0.041 0.000 0.965 483 Y CA -0.737 57.275 58.100 -0.148 0.000 1.180 483 Y CB 0.282 38.598 38.460 -0.240 0.000 1.139 483 Y HN 0.344 nan 8.280 nan 0.000 0.502 484 Y N 1.302 121.863 120.300 0.436 0.000 2.534 484 Y HA 0.413 4.963 4.550 0.000 0.000 0.329 484 Y C -0.181 175.995 175.900 0.461 0.000 1.154 484 Y CA -1.380 56.996 58.100 0.461 0.000 1.192 484 Y CB 0.698 39.365 38.460 0.345 0.000 1.275 484 Y HN 0.389 nan 8.280 nan 0.000 0.491 485 Y N 0.530 121.010 120.300 0.300 0.000 2.282 485 Y HA 0.393 4.943 4.550 0.000 0.000 0.335 485 Y C 0.112 176.093 175.900 0.136 0.000 1.335 485 Y CA -1.374 56.820 58.100 0.157 0.000 1.529 485 Y CB 0.470 38.985 38.460 0.091 0.000 1.429 485 Y HN 0.481 nan 8.280 nan 0.000 0.563 486 Q N -0.137 119.787 119.800 0.205 0.000 2.553 486 Q HA 0.506 4.846 4.340 0.000 0.000 0.293 486 Q C -1.452 174.543 176.000 -0.008 0.000 1.038 486 Q CA -1.041 54.812 55.803 0.085 0.000 0.777 486 Q CB 2.713 31.476 28.738 0.043 0.000 1.487 486 Q HN 0.460 nan 8.270 nan 0.000 0.426 487 I N 1.437 121.966 120.570 -0.067 0.000 2.519 487 I HA 0.065 4.235 4.170 0.000 0.000 0.287 487 I C 0.151 176.082 176.117 -0.309 0.000 1.047 487 I CA -0.135 61.073 61.300 -0.153 0.000 1.381 487 I CB 0.752 38.671 38.000 -0.135 0.000 1.417 487 I HN 0.476 nan 8.210 nan 0.000 0.540 488 E N 7.916 127.817 120.200 -0.498 0.000 2.608 488 E HA -0.089 4.261 4.350 0.000 0.000 0.259 488 E C -1.452 174.599 176.600 -0.916 0.000 0.951 488 E CA -0.692 55.128 56.400 -0.966 0.000 0.945 488 E CB 0.298 29.003 29.700 -1.659 0.000 0.916 488 E HN 0.408 nan 8.360 nan 0.000 0.477 489 P HA -0.180 nan 4.420 nan 0.000 0.215 489 P C 0.846 177.692 177.300 -0.755 0.000 1.157 489 P CA 1.326 63.986 63.100 -0.734 0.000 0.863 489 P CB -0.212 30.935 31.700 -0.923 0.000 0.787 490 W N 1.193 121.883 121.300 -1.016 0.000 2.782 490 W HA 0.092 4.752 4.660 0.000 0.000 0.248 490 W C 1.274 177.667 176.519 -0.211 0.000 1.265 490 W CA 0.239 57.197 57.345 -0.645 0.000 1.316 490 W CB -1.243 27.890 29.460 -0.544 0.000 1.140 490 W HN -0.028 nan 8.180 nan 0.000 0.665 491 K N -0.723 119.439 120.400 -0.398 0.000 2.344 491 K HA 0.032 4.352 4.320 0.000 0.000 0.200 491 K C 1.038 177.577 176.600 -0.103 0.000 1.132 491 K CA 0.891 57.041 56.287 -0.228 0.000 0.935 491 K CB 0.105 32.397 32.500 -0.347 0.000 1.089 491 K HN -0.029 nan 8.250 nan 0.000 0.496 492 T N 1.340 115.829 114.554 -0.110 0.000 3.213 492 T HA 0.110 4.460 4.350 0.000 0.000 0.240 492 T C -1.528 173.265 174.700 0.154 0.000 1.033 492 T CA -0.373 61.725 62.100 -0.004 0.000 1.087 492 T CB -0.474 68.367 68.868 -0.045 0.000 1.119 492 T HN 0.109 nan 8.240 nan 0.000 0.571 493 H N 1.377 120.519 119.070 0.119 0.000 2.689 493 H HA 0.468 5.025 4.556 0.000 0.000 0.346 493 H C -0.606 174.939 175.328 0.361 0.000 1.037 493 H CA -1.212 55.015 56.048 0.298 0.000 1.234 493 H CB 0.866 30.970 29.762 0.571 0.000 1.572 493 H HN 0.347 nan 8.280 nan 0.000 0.524 494 I N 5.473 125.982 120.570 -0.102 0.000 2.278 494 I HA 0.039 4.209 4.170 0.000 0.000 0.296 494 I C 0.001 175.965 176.117 -0.254 0.000 1.121 494 I CA -0.390 60.851 61.300 -0.099 0.000 1.267 494 I CB -0.125 37.858 38.000 -0.028 0.000 1.447 494 I HN 0.393 nan 8.210 nan 0.000 0.509 495 W N 4.709 125.789 121.300 -0.366 0.000 1.624 495 W HA 0.092 4.752 4.660 0.000 0.000 0.380 495 W C 1.092 177.535 176.519 -0.127 0.000 1.766 495 W CA 0.103 57.308 57.345 -0.234 0.000 1.952 495 W CB 0.048 29.471 29.460 -0.062 0.000 1.468 495 W HN 0.399 nan 8.180 nan 0.000 0.784 496 Q N 0.000 119.889 119.800 0.148 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.842 55.803 0.065 0.000 1.022 496 Q CB 0.000 28.745 28.738 0.011 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481