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 1qom_1_A 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 0.000 176.238 176.000 0.396 0.000 1.003 77 Q CA 0.000 55.885 55.803 0.137 0.000 1.022 77 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 78 Y N -1.740 118.707 120.300 0.244 0.000 2.713 78 Y HA 0.704 5.254 4.550 -0.000 0.000 0.335 78 Y C -1.700 174.265 175.900 0.108 0.000 1.222 78 Y CA -1.218 57.023 58.100 0.236 0.000 1.061 78 Y CB 0.924 39.476 38.460 0.154 0.000 1.314 78 Y HN -0.204 nan 8.280 nan 0.000 0.453 79 V N 2.750 122.894 119.914 0.384 0.000 2.459 79 V HA 0.540 4.660 4.120 0.000 0.000 0.295 79 V C -0.167 176.124 176.094 0.330 0.000 1.029 79 V CA -0.929 61.470 62.300 0.165 0.000 0.874 79 V CB 1.518 33.249 31.823 -0.153 0.000 0.985 79 V HN 0.796 nan 8.190 nan 0.000 0.438 80 R N 4.136 124.805 120.500 0.280 0.000 2.267 80 R HA 0.541 4.881 4.340 0.000 0.000 0.319 80 R C -1.042 175.314 176.300 0.094 0.000 1.067 80 R CA -0.150 56.112 56.100 0.270 0.000 0.936 80 R CB 0.393 30.837 30.300 0.240 0.000 1.006 80 R HN 0.683 nan 8.270 nan 0.000 0.452 81 I N 4.752 125.336 120.570 0.023 0.000 2.410 81 I HA 0.248 4.418 4.170 0.000 0.000 0.286 81 I C -0.408 175.650 176.117 -0.098 0.000 1.009 81 I CA -0.639 60.646 61.300 -0.024 0.000 1.111 81 I CB 1.819 39.802 38.000 -0.027 0.000 1.262 81 I HN 0.498 nan 8.210 nan 0.000 0.443 82 K N 6.397 126.713 120.400 -0.139 0.000 2.164 82 K HA 0.311 4.631 4.320 0.000 0.000 0.258 82 K C -0.538 175.864 176.600 -0.330 0.000 0.951 82 K CA -0.655 55.441 56.287 -0.317 0.000 0.844 82 K CB 1.387 33.541 32.500 -0.577 0.000 1.099 82 K HN 0.535 nan 8.250 nan 0.000 0.435 83 N N 4.416 122.938 118.700 -0.297 0.000 2.527 83 N HA 0.057 4.797 4.740 0.000 0.000 0.236 83 N C -0.202 175.199 175.510 -0.181 0.000 0.999 83 N CA -0.369 52.590 53.050 -0.152 0.000 0.935 83 N CB 0.366 38.809 38.487 -0.073 0.000 1.132 83 N HN 0.671 nan 8.380 nan 0.000 0.511 84 W N 2.636 123.954 121.300 0.030 0.000 2.662 84 W HA 0.040 4.700 4.660 0.000 0.000 0.249 84 W C 1.934 178.473 176.519 0.033 0.000 1.251 84 W CA 0.271 57.638 57.345 0.037 0.000 1.277 84 W CB 0.170 29.655 29.460 0.043 0.000 1.140 84 W HN 0.630 nan 8.180 nan 0.000 0.645 85 G N -0.707 108.187 108.800 0.158 0.000 2.497 85 G HA2 -0.145 3.815 3.960 0.000 0.000 0.210 85 G HA3 -0.145 3.815 3.960 0.000 0.000 0.210 85 G C 1.517 176.458 174.900 0.069 0.000 1.177 85 G CA 0.863 46.031 45.100 0.114 0.000 0.822 85 G HN 0.249 nan 8.290 nan 0.000 0.550 86 S N -0.641 115.075 115.700 0.026 0.000 2.524 86 S HA 0.356 4.826 4.470 0.000 0.000 0.216 86 S C 1.966 176.552 174.600 -0.023 0.000 0.987 86 S CA 1.099 59.303 58.200 0.006 0.000 0.909 86 S CB 0.178 63.374 63.200 -0.007 0.000 0.781 86 S HN 1.565 nan 8.310 nan 0.000 0.521 87 G N 1.344 110.105 108.800 -0.065 0.000 2.184 87 G HA2 -0.348 3.612 3.960 0.000 0.000 0.264 87 G HA3 -0.348 3.612 3.960 0.000 0.000 0.264 87 G C -0.098 174.705 174.900 -0.161 0.000 0.975 87 G CA 0.455 45.474 45.100 -0.135 0.000 0.642 87 G HN 0.780 nan 8.290 nan 0.000 0.536 88 E N 0.222 120.348 120.200 -0.124 0.000 2.415 88 E HA 0.428 4.778 4.350 0.000 0.000 0.262 88 E C 0.322 176.818 176.600 -0.173 0.000 1.038 88 E CA -0.238 56.089 56.400 -0.122 0.000 0.921 88 E CB 0.208 29.854 29.700 -0.090 0.000 0.950 88 E HN 0.413 nan 8.360 nan 0.000 0.438 89 I N 4.552 125.014 120.570 -0.180 0.000 2.603 89 I HA 0.347 4.517 4.170 0.000 0.000 0.300 89 I C -0.400 175.515 176.117 -0.337 0.000 1.017 89 I CA -0.880 60.282 61.300 -0.230 0.000 1.098 89 I CB 1.377 39.267 38.000 -0.184 0.000 1.279 89 I HN 0.445 nan 8.210 nan 0.000 0.437 90 L N 4.527 125.538 121.223 -0.354 0.000 2.354 90 L HA 0.489 4.829 4.340 0.000 0.000 0.264 90 L C -1.180 175.427 176.870 -0.439 0.000 1.008 90 L CA -0.788 53.807 54.840 -0.409 0.000 0.819 90 L CB 2.235 44.175 42.059 -0.198 0.000 1.339 90 L HN 0.563 nan 8.230 nan 0.000 0.420 91 H N 0.289 119.253 119.070 -0.177 0.000 2.685 91 H HA 0.185 4.741 4.556 0.000 0.000 0.307 91 H C -1.032 174.199 175.328 -0.162 0.000 1.017 91 H CA -0.680 55.181 56.048 -0.312 0.000 1.237 91 H CB 1.591 30.876 29.762 -0.795 0.000 1.409 91 H HN 0.381 nan 8.280 nan 0.000 0.488 92 D N 2.964 123.405 120.400 0.069 0.000 2.365 92 D HA 0.026 4.666 4.640 0.000 0.000 0.237 92 D C 0.345 176.765 176.300 0.201 0.000 1.190 92 D CA 0.074 54.123 54.000 0.082 0.000 0.867 92 D CB 1.152 41.962 40.800 0.018 0.000 1.050 92 D HN 0.606 nan 8.370 nan 0.000 0.491 93 T N 3.835 118.474 114.554 0.142 0.000 3.031 93 T HA 0.022 4.372 4.350 0.000 0.000 0.254 93 T C 2.098 176.829 174.700 0.051 0.000 1.060 93 T CA -0.112 62.076 62.100 0.147 0.000 1.135 93 T CB 0.298 69.237 68.868 0.118 0.000 0.896 93 T HN 0.366 nan 8.240 nan 0.000 0.472 94 L N 1.638 122.893 121.223 0.053 0.000 2.081 94 L HA -0.219 4.121 4.340 0.000 0.000 0.212 94 L C 2.665 179.506 176.870 -0.048 0.000 1.080 94 L CA 2.057 56.904 54.840 0.011 0.000 0.754 94 L CB -0.524 41.547 42.059 0.019 0.000 0.893 94 L HN 0.592 nan 8.230 nan 0.000 0.433 95 H N -2.674 116.309 119.070 -0.144 0.000 2.496 95 H HA -0.250 4.306 4.556 0.000 0.000 0.296 95 H C 1.852 177.105 175.328 -0.124 0.000 1.107 95 H CA 1.901 57.852 56.048 -0.162 0.000 1.263 95 H CB -0.723 28.924 29.762 -0.191 0.000 1.369 95 H HN 0.483 nan 8.280 nan 0.000 0.541 96 H N 0.765 119.518 119.070 -0.528 0.000 2.457 96 H HA 0.025 4.581 4.556 0.000 0.000 0.294 96 H C 1.187 176.425 175.328 -0.150 0.000 1.064 96 H CA 1.045 56.878 56.048 -0.359 0.000 1.330 96 H CB 0.214 29.790 29.762 -0.309 0.000 1.395 96 H HN 0.430 nan 8.280 nan 0.000 0.541 97 K N 0.924 121.321 120.400 -0.006 0.000 2.504 97 K HA 0.243 4.563 4.320 0.000 0.000 0.199 97 K C 0.384 176.980 176.600 -0.007 0.000 1.028 97 K CA -0.220 56.068 56.287 0.002 0.000 1.164 97 K CB 0.705 33.206 32.500 0.002 0.000 0.877 97 K HN 0.159 nan 8.250 nan 0.000 0.508 98 A N 1.050 123.863 122.820 -0.013 0.000 2.466 98 A HA 0.080 4.400 4.320 0.000 0.000 0.238 98 A C 1.055 178.642 177.584 0.005 0.000 1.074 98 A CA -0.102 51.926 52.037 -0.014 0.000 0.774 98 A CB 0.266 19.257 19.000 -0.015 0.000 1.015 98 A HN 0.197 nan 8.150 nan 0.000 0.498 99 T N 1.191 115.750 114.554 0.009 0.000 3.374 99 T HA 0.056 4.406 4.350 0.000 0.000 0.212 99 T C 1.535 176.256 174.700 0.035 0.000 0.981 99 T CA 1.448 63.562 62.100 0.023 0.000 2.269 99 T CB -0.341 68.546 68.868 0.032 0.000 1.403 99 T HN 0.684 nan 8.240 nan 0.000 0.350 100 S N 0.381 116.111 115.700 0.050 0.000 3.769 100 S HA 0.290 4.760 4.470 0.000 0.000 0.183 100 S C -0.543 174.103 174.600 0.077 0.000 0.903 100 S CA -0.485 57.747 58.200 0.053 0.000 1.413 100 S CB -0.030 63.198 63.200 0.046 0.000 0.753 100 S HN 0.438 nan 8.310 nan 0.000 0.773 101 D N 0.523 120.975 120.400 0.086 0.000 2.168 101 D HA 0.489 5.129 4.640 0.000 0.000 0.246 101 D C -0.334 176.075 176.300 0.181 0.000 1.050 101 D CA -0.380 53.687 54.000 0.112 0.000 0.857 101 D CB 1.114 41.956 40.800 0.070 0.000 1.169 101 D HN 0.057 nan 8.370 nan 0.000 0.453 102 F N 1.122 121.081 119.950 0.016 0.000 2.407 102 F HA 0.133 4.660 4.527 -0.000 0.000 0.181 102 F C 1.748 177.553 175.800 0.007 0.000 0.769 102 F CA -0.112 57.895 58.000 0.012 0.000 1.031 102 F CB -0.593 38.417 39.000 0.016 0.000 2.270 102 F HN 0.213 nan 8.300 nan 0.000 0.702 103 T N 0.181 114.345 114.554 -0.649 0.000 3.374 103 T HA -0.182 4.168 4.350 0.000 0.000 0.212 103 T C 1.782 176.384 174.700 -0.163 0.000 0.981 103 T CA 1.326 63.147 62.100 -0.466 0.000 2.269 103 T CB -1.159 67.367 68.868 -0.571 0.000 1.403 103 T HN 0.663 nan 8.240 nan 0.000 0.350 104 C N 1.134 120.374 119.300 -0.101 0.000 2.485 104 C HA 0.284 4.744 4.460 0.000 0.000 0.277 104 C C 1.101 176.100 174.990 0.016 0.000 1.376 104 C CA 0.039 59.038 59.018 -0.032 0.000 1.759 104 C CB -0.979 26.751 27.740 -0.017 0.000 1.970 104 C HN 0.463 nan 8.230 nan 0.000 0.509 105 K N 0.372 120.805 120.400 0.056 0.000 2.087 105 K HA 0.370 4.690 4.320 0.000 0.000 0.255 105 K C 0.948 177.645 176.600 0.160 0.000 0.988 105 K CA 0.188 56.540 56.287 0.108 0.000 0.915 105 K CB 1.209 33.788 32.500 0.131 0.000 1.043 105 K HN 0.170 nan 8.250 nan 0.000 0.457 106 S N 2.209 117.986 115.700 0.128 0.000 2.361 106 S HA -0.135 4.335 4.470 0.000 0.000 0.214 106 S C 0.726 175.410 174.600 0.140 0.000 1.034 106 S CA 1.734 60.008 58.200 0.123 0.000 1.025 106 S CB -0.315 62.937 63.200 0.087 0.000 0.996 106 S HN 0.726 nan 8.310 nan 0.000 0.422 107 K N -0.119 120.350 120.400 0.113 0.000 2.455 107 K HA 0.485 4.805 4.320 0.000 0.000 0.206 107 K C -0.447 176.171 176.600 0.030 0.000 1.027 107 K CA -0.146 56.186 56.287 0.074 0.000 1.113 107 K CB 0.682 33.237 32.500 0.091 0.000 0.850 107 K HN 0.078 nan 8.250 nan 0.000 0.503 108 S N 0.184 115.919 115.700 0.058 0.000 2.674 108 S HA 0.062 4.532 4.470 0.000 0.000 0.321 108 S C -1.894 172.788 174.600 0.136 0.000 0.934 108 S CA -0.890 57.315 58.200 0.007 0.000 0.827 108 S CB 1.011 64.196 63.200 -0.025 0.000 1.041 108 S HN 0.369 nan 8.310 nan 0.000 0.470 109 C N 6.755 126.179 119.300 0.208 0.000 2.225 109 C HA 0.550 5.010 4.460 0.000 0.000 0.328 109 C C 0.804 175.871 174.990 0.127 0.000 1.187 109 C CA -0.495 58.668 59.018 0.243 0.000 1.665 109 C CB -1.885 26.072 27.740 0.363 0.000 2.253 109 C HN 0.771 nan 8.230 nan 0.000 0.497 110 L N 5.773 127.048 121.223 0.087 0.000 2.805 110 L HA 0.297 4.637 4.340 0.000 0.000 0.237 110 L C 1.976 178.894 176.870 0.080 0.000 1.252 110 L CA 0.203 55.079 54.840 0.060 0.000 1.064 110 L CB -0.559 41.518 42.059 0.030 0.000 1.361 110 L HN 0.891 nan 8.230 nan 0.000 0.474 111 G N -0.347 108.514 108.800 0.102 0.000 2.471 111 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 111 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 111 G C 1.680 176.667 174.900 0.145 0.000 1.125 111 G CA 0.974 46.142 45.100 0.113 0.000 0.775 111 G HN 0.441 nan 8.290 nan 0.000 0.548 112 S N -0.220 115.565 115.700 0.141 0.000 2.481 112 S HA 0.104 4.574 4.470 0.000 0.000 0.231 112 S C 1.161 175.870 174.600 0.182 0.000 0.996 112 S CA -0.358 57.941 58.200 0.166 0.000 0.942 112 S CB -0.270 63.010 63.200 0.133 0.000 0.768 112 S HN 0.056 nan 8.310 nan 0.000 0.520 113 I N 2.876 123.534 120.570 0.146 0.000 2.648 113 I HA 0.043 4.213 4.170 0.000 0.000 0.284 113 I C 1.654 177.863 176.117 0.153 0.000 1.153 113 I CA 0.252 61.643 61.300 0.151 0.000 1.426 113 I CB 0.329 38.385 38.000 0.093 0.000 1.381 113 I HN 0.353 nan 8.210 nan 0.000 0.571 114 M N 4.490 124.209 119.600 0.199 0.000 2.073 114 M HA -0.088 4.392 4.480 0.000 0.000 0.259 114 M C 0.429 176.655 176.300 -0.123 0.000 1.079 114 M CA 1.590 56.954 55.300 0.108 0.000 1.131 114 M CB -0.325 32.304 32.600 0.050 0.000 1.316 114 M HN 0.494 nan 8.290 nan 0.000 0.415 115 N N 1.622 120.260 118.700 -0.104 0.000 3.044 115 N HA 0.306 5.046 4.740 0.000 0.000 0.254 115 N C -2.397 173.030 175.510 -0.139 0.000 1.253 115 N CA -0.799 52.074 53.050 -0.295 0.000 0.944 115 N CB 0.525 38.885 38.487 -0.212 0.000 1.217 115 N HN 0.275 nan 8.380 nan 0.000 0.498 116 P HA 0.190 nan 4.420 nan 0.000 0.275 116 P C 0.589 177.872 177.300 -0.027 0.000 1.228 116 P CA -0.330 62.744 63.100 -0.042 0.000 0.786 116 P CB 1.947 33.631 31.700 -0.026 0.000 0.927 117 K N 0.785 121.185 120.400 0.000 0.000 2.281 117 K HA -0.106 4.214 4.320 0.000 0.000 0.203 117 K C 1.892 178.520 176.600 0.047 0.000 1.046 117 K CA 1.839 58.137 56.287 0.018 0.000 0.938 117 K CB -0.208 32.299 32.500 0.013 0.000 0.737 117 K HN 0.564 nan 8.250 nan 0.000 0.458 118 S N 0.152 115.877 115.700 0.042 0.000 2.453 118 S HA -0.050 4.420 4.470 0.000 0.000 0.231 118 S C 1.489 176.158 174.600 0.115 0.000 1.005 118 S CA 0.556 58.794 58.200 0.062 0.000 0.949 118 S CB 0.073 63.291 63.200 0.029 0.000 0.774 118 S HN 0.090 nan 8.310 nan 0.000 0.510 119 L N 1.529 122.820 121.223 0.113 0.000 2.728 119 L HA 0.430 4.770 4.340 0.000 0.000 0.238 119 L C 0.054 177.168 176.870 0.408 0.000 1.143 119 L CA 0.511 55.474 54.840 0.205 0.000 0.937 119 L CB 0.150 42.272 42.059 0.105 0.000 1.225 119 L HN 0.207 nan 8.230 nan 0.000 0.507 120 T N -0.511 114.235 114.554 0.319 0.000 2.855 120 T HA 0.523 4.873 4.350 0.000 0.000 0.281 120 T C -0.378 174.454 174.700 0.220 0.000 1.007 120 T CA -0.479 61.796 62.100 0.292 0.000 1.009 120 T CB 2.199 71.144 68.868 0.128 0.000 0.983 120 T HN -0.143 nan 8.240 nan 0.000 0.455 121 R N 1.611 122.198 120.500 0.146 0.000 2.407 121 R HA 0.559 4.899 4.340 0.000 0.000 0.298 121 R C 0.398 176.690 176.300 -0.014 0.000 1.166 121 R CA -0.400 55.673 56.100 -0.044 0.000 1.006 121 R CB 0.161 30.328 30.300 -0.223 0.000 1.145 121 R HN 0.831 nan 8.270 nan 0.000 0.538 122 G N 3.025 111.811 108.800 -0.023 0.000 2.516 122 G HA2 0.298 4.258 3.960 0.000 0.000 0.276 122 G HA3 0.298 4.258 3.960 0.000 0.000 0.276 122 G C -1.821 173.058 174.900 -0.035 0.000 1.390 122 G CA -0.956 44.128 45.100 -0.027 0.000 1.050 122 G HN 0.477 nan 8.290 nan 0.000 0.519 123 P HA 0.231 nan 4.420 nan 0.000 0.276 123 P C 0.074 177.354 177.300 -0.033 0.000 1.264 123 P CA 0.136 63.216 63.100 -0.033 0.000 0.815 123 P CB 0.401 32.080 31.700 -0.035 0.000 1.121 124 R N -0.656 119.825 120.500 -0.032 0.000 2.762 124 R HA 0.285 4.625 4.340 0.000 0.000 0.271 124 R C -0.726 175.550 176.300 -0.039 0.000 1.038 124 R CA -0.544 55.535 56.100 -0.034 0.000 0.906 124 R CB 1.214 31.493 30.300 -0.036 0.000 1.259 124 R HN 0.346 nan 8.270 nan 0.000 0.457 125 D N -0.433 119.942 120.400 -0.042 0.000 2.042 125 D HA 0.155 4.795 4.640 0.000 0.000 0.351 125 D C -0.805 175.465 176.300 -0.050 0.000 1.053 125 D CA 0.610 54.580 54.000 -0.049 0.000 0.903 125 D CB 1.045 41.823 40.800 -0.038 0.000 1.749 125 D HN 0.174 nan 8.370 nan 0.000 0.537 126 K N 0.972 121.349 120.400 -0.038 0.000 2.267 126 K HA 0.575 4.895 4.320 0.000 0.000 0.246 126 K C -2.657 173.927 176.600 -0.027 0.000 0.954 126 K CA -1.696 54.573 56.287 -0.031 0.000 0.824 126 K CB 2.338 34.825 32.500 -0.022 0.000 1.167 126 K HN -0.204 nan 8.250 nan 0.000 0.431 127 P HA -0.007 nan 4.420 nan 0.000 0.274 127 P C -0.696 176.598 177.300 -0.009 0.000 1.264 127 P CA -0.248 62.844 63.100 -0.014 0.000 0.795 127 P CB 0.297 31.995 31.700 -0.003 0.000 1.064 128 T N 1.894 116.447 114.554 -0.002 0.000 2.727 128 T HA 0.222 4.572 4.350 0.000 0.000 0.295 128 T C -2.204 172.505 174.700 0.015 0.000 0.915 128 T CA -0.932 61.173 62.100 0.009 0.000 1.066 128 T CB -0.561 68.321 68.868 0.024 0.000 0.891 128 T HN 0.252 nan 8.240 nan 0.000 0.516 129 P HA 0.010 nan 4.420 nan 0.000 0.260 129 P C 1.208 178.507 177.300 -0.002 0.000 1.172 129 P CA -0.230 62.870 63.100 -0.000 0.000 0.760 129 P CB 0.377 32.073 31.700 -0.007 0.000 0.773 130 L N 3.804 125.024 121.223 -0.004 0.000 2.064 130 L HA -0.231 4.109 4.340 0.000 0.000 0.216 130 L C 2.270 179.123 176.870 -0.029 0.000 1.077 130 L CA 2.175 57.008 54.840 -0.010 0.000 0.766 130 L CB -1.240 40.812 42.059 -0.011 0.000 0.890 130 L HN 0.554 nan 8.230 nan 0.000 0.435 131 E N 0.046 120.225 120.200 -0.035 0.000 2.204 131 E HA -0.217 4.133 4.350 0.000 0.000 0.195 131 E C 1.577 178.126 176.600 -0.086 0.000 0.990 131 E CA 1.154 57.523 56.400 -0.052 0.000 0.821 131 E CB -0.187 29.486 29.700 -0.044 0.000 0.750 131 E HN 0.620 nan 8.360 nan 0.000 0.477 132 E N 0.997 121.148 120.200 -0.082 0.000 2.045 132 E HA 0.062 4.412 4.350 0.000 0.000 0.190 132 E C 2.399 178.914 176.600 -0.142 0.000 0.968 132 E CA 0.262 56.571 56.400 -0.150 0.000 0.813 132 E CB -0.169 29.500 29.700 -0.052 0.000 0.780 132 E HN 0.104 nan 8.360 nan 0.000 0.455 133 L N 1.361 122.585 121.223 0.001 0.000 2.021 133 L HA -0.244 4.096 4.340 0.000 0.000 0.215 133 L C 2.515 179.403 176.870 0.030 0.000 1.074 133 L CA 0.975 55.862 54.840 0.077 0.000 0.760 133 L CB -0.200 41.905 42.059 0.076 0.000 0.889 133 L HN 0.186 nan 8.230 nan 0.000 0.433 134 L N 0.286 121.487 121.223 -0.036 0.000 1.990 134 L HA -0.141 4.199 4.340 0.000 0.000 0.213 134 L C -0.469 176.372 176.870 -0.047 0.000 1.072 134 L CA 2.262 57.062 54.840 -0.066 0.000 0.755 134 L CB -1.902 40.117 42.059 -0.067 0.000 0.889 134 L HN 0.118 nan 8.230 nan 0.000 0.432 135 P HA -0.142 nan 4.420 nan 0.000 0.215 135 P C 1.364 178.694 177.300 0.049 0.000 1.157 135 P CA 1.508 64.576 63.100 -0.053 0.000 0.868 135 P CB -0.206 31.409 31.700 -0.142 0.000 0.788 136 H N -0.421 118.683 119.070 0.056 0.000 2.352 136 H HA -0.075 4.481 4.556 0.000 0.000 0.299 136 H C 1.960 177.383 175.328 0.157 0.000 1.097 136 H CA 1.630 57.737 56.048 0.100 0.000 1.311 136 H CB -1.111 28.702 29.762 0.085 0.000 1.377 136 H HN 0.042 nan 8.280 nan 0.000 0.504 137 A N 1.269 124.231 122.820 0.236 0.000 1.877 137 A HA -0.127 4.193 4.320 0.000 0.000 0.216 137 A C 2.436 180.129 177.584 0.180 0.000 1.186 137 A CA 1.485 53.626 52.037 0.174 0.000 0.620 137 A CB -0.493 18.379 19.000 -0.213 0.000 0.822 137 A HN 0.228 nan 8.150 nan 0.000 0.443 138 I N 0.340 120.967 120.570 0.094 0.000 2.264 138 I HA -0.222 3.948 4.170 0.000 0.000 0.248 138 I C 2.405 178.610 176.117 0.146 0.000 1.111 138 I CA 2.023 63.376 61.300 0.089 0.000 1.382 138 I CB -1.531 36.494 38.000 0.042 0.000 1.060 138 I HN 0.577 nan 8.210 nan 0.000 0.418 139 E N 1.730 122.039 120.200 0.183 0.000 2.031 139 E HA -0.293 4.057 4.350 0.000 0.000 0.193 139 E C 2.284 179.024 176.600 0.233 0.000 0.994 139 E CA 1.559 58.078 56.400 0.198 0.000 0.800 139 E CB -0.814 29.024 29.700 0.231 0.000 0.752 139 E HN 0.330 nan 8.360 nan 0.000 0.447 140 F N 0.850 120.908 119.950 0.180 0.000 2.161 140 F HA -0.084 4.444 4.527 -0.000 0.000 0.300 140 F C 1.913 177.840 175.800 0.212 0.000 1.089 140 F CA 1.681 59.811 58.000 0.217 0.000 1.282 140 F CB -0.198 38.945 39.000 0.238 0.000 1.010 140 F HN 0.104 nan 8.300 nan 0.000 0.485 141 I N 0.151 120.730 120.570 0.015 0.000 2.546 141 I HA -0.264 3.906 4.170 0.000 0.000 0.255 141 I C 2.091 178.202 176.117 -0.009 0.000 1.163 141 I CA 0.948 62.218 61.300 -0.049 0.000 1.457 141 I CB -0.635 37.440 38.000 0.125 0.000 1.092 141 I HN 0.222 nan 8.210 nan 0.000 0.434 142 N N 0.505 119.238 118.700 0.054 0.000 2.331 142 N HA -0.191 4.549 4.740 0.000 0.000 0.180 142 N C 1.867 177.369 175.510 -0.013 0.000 1.019 142 N CA 0.901 54.000 53.050 0.082 0.000 0.881 142 N CB 0.055 38.632 38.487 0.151 0.000 0.972 142 N HN 0.510 nan 8.380 nan 0.000 0.435 143 Q N 0.031 119.811 119.800 -0.033 0.000 2.049 143 Q HA -0.178 4.162 4.340 0.000 0.000 0.198 143 Q C 1.987 177.881 176.000 -0.177 0.000 0.971 143 Q CA 1.093 56.895 55.803 -0.001 0.000 0.833 143 Q CB -0.152 28.661 28.738 0.125 0.000 0.896 143 Q HN 0.346 nan 8.270 nan 0.000 0.434 144 Y N 0.048 119.924 120.300 -0.708 0.000 2.049 144 Y HA -0.317 4.233 4.550 0.000 0.000 0.277 144 Y C 1.734 177.130 175.900 -0.840 0.000 1.143 144 Y CA 2.199 59.508 58.100 -1.320 0.000 1.115 144 Y CB -0.635 37.046 38.460 -1.298 0.000 0.975 144 Y HN 0.191 nan 8.280 nan 0.000 0.487 145 Y N -0.140 119.973 120.300 -0.311 0.000 2.421 145 Y HA -0.034 4.516 4.550 0.000 0.000 0.292 145 Y C 2.562 178.284 175.900 -0.296 0.000 1.136 145 Y CA 1.180 59.070 58.100 -0.349 0.000 1.255 145 Y CB -0.748 37.323 38.460 -0.648 0.000 0.991 145 Y HN 0.273 nan 8.280 nan 0.000 0.552 146 G N -1.838 106.884 108.800 -0.131 0.000 2.650 146 G HA2 -0.159 3.801 3.960 0.000 0.000 0.214 146 G HA3 -0.159 3.801 3.960 0.000 0.000 0.214 146 G C 1.800 176.674 174.900 -0.043 0.000 1.136 146 G CA 0.828 45.908 45.100 -0.035 0.000 0.789 146 G HN 0.373 nan 8.290 nan 0.000 0.536 147 S N 0.055 115.674 115.700 -0.135 0.000 2.343 147 S HA 0.047 4.517 4.470 0.000 0.000 0.212 147 S C 0.934 175.499 174.600 -0.059 0.000 1.033 147 S CA -0.351 57.785 58.200 -0.107 0.000 1.004 147 S CB -0.466 62.608 63.200 -0.211 0.000 0.977 147 S HN 0.134 nan 8.310 nan 0.000 0.427 148 F N 3.297 123.113 119.950 -0.223 0.000 2.594 148 F HA 0.007 4.534 4.527 0.000 0.000 0.384 148 F C 1.587 177.346 175.800 -0.069 0.000 1.060 148 F CA 0.582 58.494 58.000 -0.146 0.000 1.278 148 F CB 0.406 39.300 39.000 -0.176 0.000 0.977 148 F HN 0.277 nan 8.300 nan 0.000 0.576 149 K N 2.738 123.258 120.400 0.199 0.000 2.127 149 K HA -0.202 4.118 4.320 0.000 0.000 0.208 149 K C -0.013 176.709 176.600 0.203 0.000 1.047 149 K CA 2.069 58.456 56.287 0.167 0.000 0.927 149 K CB -0.109 32.455 32.500 0.107 0.000 0.716 149 K HN 0.757 nan 8.250 nan 0.000 0.450 150 E N 0.311 120.686 120.200 0.291 0.000 2.675 150 E HA 0.361 4.711 4.350 0.000 0.000 0.236 150 E C -1.178 175.460 176.600 0.064 0.000 1.059 150 E CA -0.579 55.897 56.400 0.127 0.000 0.775 150 E CB 1.330 31.079 29.700 0.082 0.000 1.356 150 E HN 0.183 nan 8.360 nan 0.000 0.403 151 A N 3.530 126.401 122.820 0.085 0.000 2.603 151 A HA -0.090 4.230 4.320 0.000 0.000 0.235 151 A C 0.132 177.752 177.584 0.060 0.000 1.035 151 A CA 0.305 52.396 52.037 0.089 0.000 0.755 151 A CB -0.031 19.041 19.000 0.119 0.000 0.954 151 A HN 0.577 nan 8.150 nan 0.000 0.511 152 K N 3.657 124.113 120.400 0.093 0.000 2.363 152 K HA 0.297 4.617 4.320 0.000 0.000 0.240 152 K C 0.676 177.322 176.600 0.076 0.000 1.169 152 K CA -0.129 56.198 56.287 0.067 0.000 1.131 152 K CB 0.031 32.584 32.500 0.088 0.000 1.771 152 K HN 0.700 nan 8.250 nan 0.000 0.380 153 I N 1.436 122.042 120.570 0.060 0.000 2.091 153 I HA -0.468 3.702 4.170 0.000 0.000 0.240 153 I C 2.507 178.599 176.117 -0.042 0.000 1.046 153 I CA 1.538 62.855 61.300 0.028 0.000 1.306 153 I CB -0.483 37.514 38.000 -0.005 0.000 1.018 153 I HN 0.531 nan 8.210 nan 0.000 0.404 154 E N 2.044 122.219 120.200 -0.041 0.000 2.049 154 E HA -0.299 4.051 4.350 0.000 0.000 0.198 154 E C 1.809 178.361 176.600 -0.081 0.000 1.007 154 E CA 2.039 58.405 56.400 -0.058 0.000 0.809 154 E CB -0.857 28.822 29.700 -0.035 0.000 0.749 154 E HN 0.671 nan 8.360 nan 0.000 0.450 155 E N 0.010 120.169 120.200 -0.068 0.000 2.150 155 E HA -0.164 4.186 4.350 0.000 0.000 0.193 155 E C 2.211 178.586 176.600 -0.374 0.000 0.985 155 E CA 0.905 57.249 56.400 -0.094 0.000 0.814 155 E CB -0.354 29.384 29.700 0.063 0.000 0.752 155 E HN 0.570 nan 8.360 nan 0.000 0.466 156 H N 0.337 119.007 119.070 -0.666 0.000 2.293 156 H HA -0.138 4.418 4.556 0.000 0.000 0.300 156 H C 1.894 176.906 175.328 -0.526 0.000 1.082 156 H CA 0.835 56.266 56.048 -1.029 0.000 1.308 156 H CB 0.255 29.706 29.762 -0.518 0.000 1.375 156 H HN 0.026 nan 8.280 nan 0.000 0.495 157 L N 1.131 122.207 121.223 -0.245 0.000 1.994 157 L HA -0.118 4.222 4.340 0.000 0.000 0.208 157 L C 3.001 179.782 176.870 -0.147 0.000 1.071 157 L CA 1.802 56.508 54.840 -0.222 0.000 0.745 157 L CB -1.563 40.386 42.059 -0.182 0.000 0.892 157 L HN 0.441 nan 8.230 nan 0.000 0.431 158 A N -0.552 122.191 122.820 -0.129 0.000 1.917 158 A HA -0.292 4.028 4.320 0.000 0.000 0.219 158 A C 2.518 180.060 177.584 -0.070 0.000 1.182 158 A CA 2.173 54.160 52.037 -0.083 0.000 0.633 158 A CB -0.529 18.435 19.000 -0.060 0.000 0.819 158 A HN 0.334 nan 8.150 nan 0.000 0.448 159 R N -0.264 120.172 120.500 -0.106 0.000 2.075 159 R HA 0.050 4.390 4.340 0.000 0.000 0.232 159 R C 1.966 178.251 176.300 -0.026 0.000 1.126 159 R CA 1.500 57.575 56.100 -0.041 0.000 0.963 159 R CB -0.840 29.447 30.300 -0.022 0.000 0.858 159 R HN 0.509 nan 8.270 nan 0.000 0.435 160 L N 0.364 121.558 121.223 -0.048 0.000 2.012 160 L HA -0.214 4.126 4.340 0.000 0.000 0.210 160 L C 2.457 179.298 176.870 -0.048 0.000 1.073 160 L CA 1.988 56.810 54.840 -0.031 0.000 0.748 160 L CB -0.522 41.511 42.059 -0.043 0.000 0.891 160 L HN 0.330 nan 8.230 nan 0.000 0.431 161 E N 0.398 120.565 120.200 -0.055 0.000 2.031 161 E HA -0.243 4.107 4.350 0.000 0.000 0.193 161 E C 2.051 178.630 176.600 -0.034 0.000 0.994 161 E CA 1.725 58.096 56.400 -0.048 0.000 0.800 161 E CB -0.234 29.436 29.700 -0.049 0.000 0.752 161 E HN 0.361 nan 8.360 nan 0.000 0.447 162 A N 0.233 123.039 122.820 -0.022 0.000 1.972 162 A HA -0.109 4.211 4.320 0.000 0.000 0.219 162 A C 2.473 180.057 177.584 -0.001 0.000 1.169 162 A CA 1.651 53.686 52.037 -0.003 0.000 0.635 162 A CB -0.611 18.397 19.000 0.014 0.000 0.810 162 A HN 0.230 nan 8.150 nan 0.000 0.446 163 V N -0.647 119.255 119.914 -0.020 0.000 2.302 163 V HA -0.178 3.942 4.120 0.000 0.000 0.243 163 V C 2.707 178.730 176.094 -0.119 0.000 1.036 163 V CA 2.306 64.563 62.300 -0.072 0.000 1.020 163 V CB -1.318 30.428 31.823 -0.128 0.000 0.657 163 V HN 0.577 nan 8.190 nan 0.000 0.453 164 T N 0.027 114.522 114.554 -0.099 0.000 2.635 164 T HA -0.328 4.022 4.350 0.000 0.000 0.267 164 T C 1.925 176.590 174.700 -0.058 0.000 1.040 164 T CA 2.242 64.290 62.100 -0.087 0.000 1.156 164 T CB -0.267 68.563 68.868 -0.063 0.000 0.863 164 T HN 0.442 nan 8.240 nan 0.000 0.430 165 K N 0.877 121.254 120.400 -0.038 0.000 2.009 165 K HA -0.176 4.144 4.320 0.000 0.000 0.210 165 K C 2.427 179.024 176.600 -0.006 0.000 1.049 165 K CA 1.806 58.081 56.287 -0.019 0.000 0.929 165 K CB -0.166 32.327 32.500 -0.012 0.000 0.714 165 K HN 0.427 nan 8.250 nan 0.000 0.440 166 E N 0.435 120.637 120.200 0.003 0.000 2.118 166 E HA -0.197 4.153 4.350 0.000 0.000 0.195 166 E C 1.944 178.567 176.600 0.039 0.000 0.992 166 E CA 1.330 57.751 56.400 0.035 0.000 0.804 166 E CB -0.050 29.694 29.700 0.073 0.000 0.741 166 E HN 0.397 nan 8.360 nan 0.000 0.458 167 I N 1.444 122.011 120.570 -0.004 0.000 2.163 167 I HA -0.256 3.914 4.170 0.000 0.000 0.240 167 I C 2.436 178.556 176.117 0.004 0.000 1.081 167 I CA 1.576 62.874 61.300 -0.004 0.000 1.353 167 I CB -0.565 37.380 38.000 -0.091 0.000 1.054 167 I HN 0.215 nan 8.210 nan 0.000 0.407 168 E N 0.493 120.686 120.200 -0.012 0.000 2.472 168 E HA -0.127 4.223 4.350 0.000 0.000 0.200 168 E C 1.433 178.035 176.600 0.004 0.000 1.046 168 E CA 1.244 57.640 56.400 -0.007 0.000 0.871 168 E CB -0.299 29.392 29.700 -0.015 0.000 0.806 168 E HN 0.432 nan 8.360 nan 0.000 0.533 169 T N 0.089 114.650 114.554 0.012 0.000 3.021 169 T HA -0.004 4.346 4.350 0.000 0.000 0.245 169 T C 1.726 176.442 174.700 0.026 0.000 1.028 169 T CA 1.264 63.375 62.100 0.018 0.000 1.139 169 T CB 0.221 69.101 68.868 0.021 0.000 0.884 169 T HN 0.284 nan 8.240 nan 0.000 0.457 170 T N -0.731 113.845 114.554 0.037 0.000 3.018 170 T HA 0.462 4.812 4.350 0.000 0.000 0.246 170 T C 1.796 176.522 174.700 0.043 0.000 1.026 170 T CA 0.559 62.685 62.100 0.043 0.000 1.081 170 T CB 0.327 69.228 68.868 0.056 0.000 0.970 170 T HN 0.488 nan 8.240 nan 0.000 0.475 171 G N 0.506 109.334 108.800 0.047 0.000 2.218 171 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 171 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 171 G C 0.232 175.172 174.900 0.067 0.000 0.994 171 G CA 0.246 45.372 45.100 0.044 0.000 0.637 171 G HN 0.779 nan 8.290 nan 0.000 0.505 172 T N -1.068 113.545 114.554 0.099 0.000 2.671 172 T HA 0.698 5.048 4.350 0.000 0.000 0.300 172 T C -1.809 173.045 174.700 0.256 0.000 1.238 172 T CA 0.372 62.562 62.100 0.150 0.000 1.020 172 T CB 1.491 70.389 68.868 0.050 0.000 1.503 172 T HN 1.521 nan 8.240 nan 0.000 0.497 173 Y N -0.519 119.777 120.300 -0.007 0.000 2.656 173 Y HA 0.778 5.328 4.550 0.000 0.000 0.334 173 Y C -1.526 174.382 175.900 0.014 0.000 1.179 173 Y CA -1.238 56.868 58.100 0.010 0.000 1.050 173 Y CB 0.792 39.267 38.460 0.025 0.000 1.308 173 Y HN 0.346 nan 8.280 nan 0.000 0.456 174 Q N 2.246 122.031 119.800 -0.025 0.000 2.274 174 Q HA 0.539 4.879 4.340 0.000 0.000 0.260 174 Q C -1.056 174.918 176.000 -0.042 0.000 0.974 174 Q CA -0.820 54.927 55.803 -0.093 0.000 0.876 174 Q CB 2.914 31.652 28.738 -0.000 0.000 1.297 174 Q HN 0.862 nan 8.270 nan 0.000 0.446 175 L N 1.426 122.612 121.223 -0.062 0.000 2.334 175 L HA 0.326 4.666 4.340 0.000 0.000 0.277 175 L C 1.012 177.908 176.870 0.042 0.000 1.075 175 L CA -0.528 54.328 54.840 0.027 0.000 0.804 175 L CB 1.153 43.234 42.059 0.036 0.000 1.174 175 L HN 0.700 nan 8.230 nan 0.000 0.438 176 T N -0.539 114.039 114.554 0.040 0.000 2.802 176 T HA 0.065 4.415 4.350 0.000 0.000 0.305 176 T C 1.013 175.740 174.700 0.044 0.000 1.053 176 T CA -0.524 61.593 62.100 0.029 0.000 1.058 176 T CB 0.839 69.707 68.868 0.001 0.000 0.988 176 T HN 0.486 nan 8.240 nan 0.000 0.539 177 L N 0.797 122.047 121.223 0.045 0.000 1.989 177 L HA -0.017 4.323 4.340 0.000 0.000 0.211 177 L C 2.319 179.246 176.870 0.094 0.000 1.071 177 L CA 2.109 56.976 54.840 0.045 0.000 0.749 177 L CB -1.000 41.079 42.059 0.032 0.000 0.890 177 L HN 0.908 nan 8.230 nan 0.000 0.431 178 D N -0.822 119.657 120.400 0.132 0.000 2.311 178 D HA -0.191 4.449 4.640 0.000 0.000 0.212 178 D C 1.994 178.540 176.300 0.410 0.000 0.972 178 D CA 0.936 55.071 54.000 0.225 0.000 0.887 178 D CB 0.153 41.093 40.800 0.233 0.000 0.915 178 D HN 0.546 nan 8.370 nan 0.000 0.497 179 E N -0.555 119.820 120.200 0.291 0.000 2.051 179 E HA -0.035 4.315 4.350 0.000 0.000 0.189 179 E C 2.192 179.067 176.600 0.458 0.000 0.979 179 E CA 0.054 56.670 56.400 0.360 0.000 0.803 179 E CB 0.032 29.765 29.700 0.056 0.000 0.761 179 E HN 0.265 nan 8.360 nan 0.000 0.451 180 L N 1.127 122.480 121.223 0.217 0.000 2.046 180 L HA -0.201 4.139 4.340 0.000 0.000 0.208 180 L C 2.314 179.245 176.870 0.101 0.000 1.077 180 L CA 1.063 55.952 54.840 0.081 0.000 0.747 180 L CB -0.182 41.840 42.059 -0.060 0.000 0.896 180 L HN 0.227 nan 8.230 nan 0.000 0.432 181 I N -0.751 119.900 120.570 0.135 0.000 2.076 181 I HA -0.407 3.763 4.170 0.000 0.000 0.237 181 I C 2.454 178.692 176.117 0.202 0.000 1.059 181 I CA 1.869 63.239 61.300 0.117 0.000 1.317 181 I CB -0.442 37.627 38.000 0.116 0.000 1.037 181 I HN 0.231 nan 8.210 nan 0.000 0.398 182 F N 1.726 121.772 119.950 0.161 0.000 2.154 182 F HA -0.298 4.229 4.527 -0.000 0.000 0.301 182 F C 2.348 178.278 175.800 0.217 0.000 1.087 182 F CA 1.502 59.606 58.000 0.174 0.000 1.274 182 F CB -0.408 38.695 39.000 0.171 0.000 1.009 182 F HN 0.046 nan 8.300 nan 0.000 0.485 183 A N 0.523 123.561 122.820 0.363 0.000 1.835 183 A HA -0.235 4.085 4.320 0.000 0.000 0.215 183 A C 2.337 179.895 177.584 -0.045 0.000 1.199 183 A CA 3.042 55.194 52.037 0.192 0.000 0.615 183 A CB -1.738 17.361 19.000 0.164 0.000 0.838 183 A HN 0.556 nan 8.150 nan 0.000 0.444 184 T N -1.179 113.367 114.554 -0.014 0.000 2.685 184 T HA -0.247 4.103 4.350 0.000 0.000 0.268 184 T C 1.776 176.536 174.700 0.100 0.000 1.034 184 T CA 1.887 63.996 62.100 0.015 0.000 1.149 184 T CB -0.441 68.433 68.868 0.010 0.000 0.860 184 T HN 0.561 nan 8.240 nan 0.000 0.449 185 K N 0.167 120.626 120.400 0.099 0.000 2.025 185 K HA 0.078 4.398 4.320 0.000 0.000 0.207 185 K C 2.580 179.206 176.600 0.043 0.000 1.049 185 K CA 1.272 57.690 56.287 0.217 0.000 0.933 185 K CB -0.242 32.422 32.500 0.272 0.000 0.714 185 K HN 0.245 nan 8.250 nan 0.000 0.438 186 M N 0.583 120.059 119.600 -0.205 0.000 2.117 186 M HA -0.101 4.379 4.480 0.000 0.000 0.262 186 M C 2.446 178.615 176.300 -0.218 0.000 1.065 186 M CA 1.444 56.549 55.300 -0.326 0.000 1.114 186 M CB -1.114 31.188 32.600 -0.497 0.000 1.361 186 M HN 0.167 nan 8.290 nan 0.000 0.408 187 A N -0.605 122.072 122.820 -0.238 0.000 1.908 187 A HA -0.224 4.096 4.320 0.000 0.000 0.218 187 A C 2.022 179.455 177.584 -0.252 0.000 1.181 187 A CA 1.690 53.453 52.037 -0.456 0.000 0.627 187 A CB -1.188 17.183 19.000 -1.048 0.000 0.818 187 A HN 0.682 nan 8.150 nan 0.000 0.445 188 W N 0.748 121.976 121.300 -0.120 0.000 2.379 188 W HA -0.094 4.566 4.660 0.000 0.000 0.307 188 W C 2.287 178.727 176.519 -0.130 0.000 1.200 188 W CA 1.470 58.794 57.345 -0.034 0.000 1.297 188 W CB -0.729 28.707 29.460 -0.040 0.000 1.140 188 W HN 0.334 nan 8.180 nan 0.000 0.507 189 R N 0.330 120.755 120.500 -0.126 0.000 2.159 189 R HA -0.173 4.167 4.340 0.000 0.000 0.237 189 R C 1.048 177.231 176.300 -0.196 0.000 1.131 189 R CA 1.688 57.594 56.100 -0.322 0.000 0.982 189 R CB -0.407 29.596 30.300 -0.494 0.000 0.868 189 R HN 0.090 nan 8.270 nan 0.000 0.453 190 N N -0.252 118.359 118.700 -0.149 0.000 2.270 190 N HA 0.086 4.826 4.740 0.000 0.000 0.198 190 N C -0.867 174.562 175.510 -0.136 0.000 1.117 190 N CA 0.306 53.301 53.050 -0.091 0.000 0.845 190 N CB 1.249 39.740 38.487 0.006 0.000 0.980 190 N HN 0.116 nan 8.380 nan 0.000 0.486 191 A N 2.187 124.899 122.820 -0.180 0.000 2.343 191 A HA 0.292 4.612 4.320 0.000 0.000 0.305 191 A C -1.078 176.430 177.584 -0.127 0.000 1.308 191 A CA -1.148 50.726 52.037 -0.271 0.000 0.949 191 A CB 0.590 19.493 19.000 -0.162 0.000 1.148 191 A HN -0.020 nan 8.150 nan 0.000 0.545 192 P HA -0.156 nan 4.420 nan 0.000 0.222 192 P C 0.813 178.078 177.300 -0.059 0.000 1.147 192 P CA 1.067 64.133 63.100 -0.056 0.000 0.790 192 P CB 0.233 31.909 31.700 -0.041 0.000 0.780 193 R N -1.600 118.830 120.500 -0.117 0.000 2.334 193 R HA 0.155 4.495 4.340 0.000 0.000 0.216 193 R C 0.706 177.015 176.300 0.016 0.000 0.905 193 R CA -0.184 55.875 56.100 -0.068 0.000 1.064 193 R CB -0.210 29.876 30.300 -0.357 0.000 1.046 193 R HN 0.166 nan 8.270 nan 0.000 0.508 194 C N 0.518 119.800 119.300 -0.029 0.000 2.330 194 C HA 0.347 4.807 4.460 0.000 0.000 0.344 194 C C 1.700 176.639 174.990 -0.085 0.000 1.273 194 C CA -0.706 58.313 59.018 0.001 0.000 1.879 194 C CB -0.092 27.712 27.740 0.107 0.000 2.376 194 C HN 0.528 nan 8.230 nan 0.000 0.534 195 I N 3.830 124.321 120.570 -0.132 0.000 3.645 195 I HA 0.206 4.376 4.170 0.000 0.000 0.300 195 I C 1.982 178.097 176.117 -0.003 0.000 1.260 195 I CA 0.895 62.040 61.300 -0.258 0.000 1.365 195 I CB 0.103 37.944 38.000 -0.265 0.000 1.077 195 I HN 0.925 nan 8.210 nan 0.000 0.439 196 G N 0.167 108.986 108.800 0.031 0.000 3.124 196 G HA2 -0.054 3.906 3.960 0.000 0.000 0.212 196 G HA3 -0.054 3.906 3.960 0.000 0.000 0.212 196 G C 1.321 176.211 174.900 -0.017 0.000 1.181 196 G CA -0.291 44.832 45.100 0.038 0.000 0.803 196 G HN 0.268 nan 8.290 nan 0.000 0.529 197 R N -0.264 120.153 120.500 -0.139 0.000 2.355 197 R HA 0.028 4.368 4.340 0.000 0.000 0.219 197 R C 1.927 177.690 176.300 -0.895 0.000 1.107 197 R CA 0.355 56.056 56.100 -0.664 0.000 1.021 197 R CB -0.213 29.797 30.300 -0.483 0.000 0.852 197 R HN 0.467 nan 8.270 nan 0.000 0.475 198 I N 0.621 120.873 120.570 -0.530 0.000 3.111 198 I HA -0.165 4.005 4.170 0.000 0.000 0.272 198 I C 1.095 177.054 176.117 -0.263 0.000 1.268 198 I CA 0.909 62.020 61.300 -0.315 0.000 1.467 198 I CB 0.194 38.171 38.000 -0.037 0.000 1.087 198 I HN 0.151 nan 8.210 nan 0.000 0.467 199 Q N 0.594 120.180 119.800 -0.357 0.000 2.280 199 Q HA -0.057 4.283 4.340 0.000 0.000 0.201 199 Q C 1.527 177.182 176.000 -0.575 0.000 0.890 199 Q CA 0.105 55.737 55.803 -0.285 0.000 0.947 199 Q CB -0.118 28.622 28.738 0.003 0.000 1.081 199 Q HN 0.759 nan 8.270 nan 0.000 0.502 200 W N 1.125 121.785 121.300 -1.067 0.000 2.313 200 W HA -0.238 4.422 4.660 0.000 0.000 0.293 200 W C 1.293 177.641 176.519 -0.285 0.000 1.216 200 W CA 1.556 58.253 57.345 -1.080 0.000 1.223 200 W CB -1.243 27.672 29.460 -0.908 0.000 1.138 200 W HN 0.168 nan 8.180 nan 0.000 0.535 201 S N 0.771 115.695 115.700 -1.293 0.000 2.489 201 S HA -0.066 4.404 4.470 0.000 0.000 0.228 201 S C 0.324 174.693 174.600 -0.384 0.000 0.995 201 S CA 0.439 58.011 58.200 -1.047 0.000 0.934 201 S CB -0.991 61.392 63.200 -1.363 0.000 0.771 201 S HN 0.369 nan 8.310 nan 0.000 0.522 202 N N 1.487 120.058 118.700 -0.215 0.000 2.678 202 N HA 0.602 5.342 4.740 0.000 0.000 0.231 202 N C -1.366 174.211 175.510 0.112 0.000 1.038 202 N CA -0.416 52.616 53.050 -0.029 0.000 0.932 202 N CB 1.277 39.771 38.487 0.013 0.000 1.176 202 N HN 0.254 nan 8.380 nan 0.000 0.511 203 L N 1.121 122.388 121.223 0.074 0.000 2.445 203 L HA 0.458 4.798 4.340 0.000 0.000 0.262 203 L C -1.414 175.412 176.870 -0.075 0.000 0.974 203 L CA -0.721 54.147 54.840 0.047 0.000 0.822 203 L CB 2.176 44.309 42.059 0.124 0.000 1.339 203 L HN 0.239 nan 8.230 nan 0.000 0.409 204 Q N 2.338 122.029 119.800 -0.182 0.000 2.271 204 Q HA 0.701 5.041 4.340 0.000 0.000 0.258 204 Q C -1.677 173.931 176.000 -0.654 0.000 0.936 204 Q CA -0.370 55.168 55.803 -0.442 0.000 0.909 204 Q CB 1.798 30.143 28.738 -0.655 0.000 1.253 204 Q HN 0.526 nan 8.270 nan 0.000 0.440 205 V N 5.016 124.547 119.914 -0.640 0.000 2.409 205 V HA 0.468 4.588 4.120 0.000 0.000 0.291 205 V C -0.935 174.790 176.094 -0.616 0.000 1.020 205 V CA -0.678 61.287 62.300 -0.560 0.000 0.848 205 V CB 0.792 32.445 31.823 -0.283 0.000 0.990 205 V HN 0.623 nan 8.190 nan 0.000 0.430 206 F N 2.419 122.165 119.950 -0.341 0.000 2.334 206 F HA 0.368 4.895 4.527 0.000 0.000 0.367 206 F C 0.635 176.212 175.800 -0.371 0.000 1.115 206 F CA -1.441 56.353 58.000 -0.342 0.000 1.116 206 F CB 0.973 39.739 39.000 -0.390 0.000 1.230 206 F HN 0.455 nan 8.300 nan 0.000 0.484 207 D N 3.468 123.808 120.400 -0.100 0.000 2.455 207 D HA 0.240 4.880 4.640 0.000 0.000 0.234 207 D C 0.527 176.672 176.300 -0.258 0.000 1.224 207 D CA 0.258 54.152 54.000 -0.176 0.000 0.999 207 D CB 0.552 41.294 40.800 -0.096 0.000 1.072 207 D HN 0.582 nan 8.370 nan 0.000 0.514 208 A N 4.197 126.728 122.820 -0.481 0.000 2.577 208 A HA 0.141 4.461 4.320 0.000 0.000 0.280 208 A C 1.858 179.191 177.584 -0.418 0.000 1.331 208 A CA -0.353 51.248 52.037 -0.726 0.000 0.935 208 A CB 0.001 18.097 19.000 -1.508 0.000 1.082 208 A HN 0.431 nan 8.150 nan 0.000 0.525 209 R N 0.610 120.963 120.500 -0.245 0.000 2.148 209 R HA -0.139 4.201 4.340 0.000 0.000 0.227 209 R C 1.163 177.390 176.300 -0.121 0.000 1.103 209 R CA 1.575 57.593 56.100 -0.136 0.000 0.983 209 R CB -0.104 30.168 30.300 -0.046 0.000 0.874 209 R HN 0.774 nan 8.270 nan 0.000 0.451 210 N N -0.451 118.196 118.700 -0.088 0.000 2.398 210 N HA -0.052 4.688 4.740 0.000 0.000 0.188 210 N C 0.458 175.967 175.510 -0.000 0.000 1.122 210 N CA -0.101 52.930 53.050 -0.032 0.000 0.866 210 N CB -0.311 38.175 38.487 -0.000 0.000 0.970 210 N HN 0.054 nan 8.380 nan 0.000 0.462 211 C N 0.541 119.825 119.300 -0.027 0.000 2.745 211 C HA 0.406 4.866 4.460 0.000 0.000 0.387 211 C C 1.583 176.648 174.990 0.125 0.000 1.312 211 C CA 0.575 59.652 59.018 0.098 0.000 2.204 211 C CB 0.086 27.914 27.740 0.147 0.000 2.686 211 C HN 0.686 nan 8.230 nan 0.000 0.705 212 S N 0.247 116.114 115.700 0.278 0.000 2.551 212 S HA 0.202 4.672 4.470 0.000 0.000 0.276 212 S C -0.045 174.747 174.600 0.320 0.000 1.051 212 S CA 0.308 58.728 58.200 0.366 0.000 1.377 212 S CB -0.268 63.056 63.200 0.207 0.000 1.208 212 S HN 1.014 nan 8.310 nan 0.000 0.656 213 T N -0.244 114.470 114.554 0.265 0.000 2.916 213 T HA 0.862 5.212 4.350 0.000 0.000 0.292 213 T C 1.252 176.031 174.700 0.131 0.000 1.055 213 T CA -0.290 61.903 62.100 0.155 0.000 1.009 213 T CB 1.519 70.459 68.868 0.121 0.000 1.118 213 T HN 0.225 nan 8.240 nan 0.000 0.497 214 A N 0.701 123.559 122.820 0.064 0.000 1.883 214 A HA -0.153 4.167 4.320 0.000 0.000 0.217 214 A C 2.295 179.793 177.584 -0.143 0.000 1.186 214 A CA 2.177 54.215 52.037 0.002 0.000 0.624 214 A CB -1.119 17.972 19.000 0.152 0.000 0.822 214 A HN 0.857 nan 8.150 nan 0.000 0.444 215 Q N -0.059 119.767 119.800 0.044 0.000 2.096 215 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 215 Q C 1.849 177.860 176.000 0.018 0.000 0.982 215 Q CA 2.232 58.053 55.803 0.030 0.000 0.850 215 Q CB -0.322 28.554 28.738 0.231 0.000 0.901 215 Q HN 0.766 nan 8.270 nan 0.000 0.422 216 E N -0.800 119.450 120.200 0.084 0.000 2.150 216 E HA -0.153 4.197 4.350 0.000 0.000 0.193 216 E C 1.949 178.708 176.600 0.266 0.000 0.985 216 E CA 0.944 57.422 56.400 0.129 0.000 0.814 216 E CB -0.065 29.749 29.700 0.191 0.000 0.752 216 E HN 0.475 nan 8.360 nan 0.000 0.466 217 M N -0.024 119.721 119.600 0.242 0.000 2.059 217 M HA -0.163 4.317 4.480 0.000 0.000 0.259 217 M C 2.224 178.685 176.300 0.268 0.000 1.072 217 M CA 1.254 56.752 55.300 0.331 0.000 1.117 217 M CB -0.386 32.166 32.600 -0.081 0.000 1.320 217 M HN 0.137 nan 8.290 nan 0.000 0.408 218 F N 1.674 121.488 119.950 -0.226 0.000 2.087 218 F HA -0.322 4.205 4.527 0.000 0.000 0.299 218 F C 2.283 178.026 175.800 -0.096 0.000 1.100 218 F CA 1.999 59.826 58.000 -0.289 0.000 1.226 218 F CB -0.824 37.747 39.000 -0.716 0.000 0.983 218 F HN 0.231 nan 8.300 nan 0.000 0.479 219 Q N -1.365 118.310 119.800 -0.210 0.000 2.084 219 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 219 Q C 2.067 177.928 176.000 -0.233 0.000 0.978 219 Q CA 1.995 57.599 55.803 -0.331 0.000 0.844 219 Q CB -0.423 28.153 28.738 -0.269 0.000 0.898 219 Q HN 0.602 nan 8.270 nan 0.000 0.426 220 H N -0.051 118.982 119.070 -0.062 0.000 2.357 220 H HA -0.070 4.486 4.556 0.000 0.000 0.301 220 H C 1.947 177.257 175.328 -0.029 0.000 1.082 220 H CA 1.411 57.412 56.048 -0.078 0.000 1.342 220 H CB 0.120 29.860 29.762 -0.037 0.000 1.389 220 H HN 0.164 nan 8.280 nan 0.000 0.511 221 I N -0.299 120.415 120.570 0.240 0.000 2.179 221 I HA -0.343 3.827 4.170 0.000 0.000 0.242 221 I C 2.215 178.386 176.117 0.090 0.000 1.088 221 I CA 0.898 62.335 61.300 0.229 0.000 1.357 221 I CB -0.382 37.778 38.000 0.268 0.000 1.051 221 I HN 0.418 nan 8.210 nan 0.000 0.409 222 C N 0.463 119.723 119.300 -0.067 0.000 2.401 222 C HA -0.202 4.258 4.460 0.000 0.000 0.276 222 C C 3.013 177.953 174.990 -0.083 0.000 1.233 222 C CA 1.202 60.141 59.018 -0.132 0.000 1.753 222 C CB -1.299 26.241 27.740 -0.333 0.000 2.029 222 C HN 0.489 nan 8.230 nan 0.000 0.478 223 R N -0.106 120.321 120.500 -0.121 0.000 2.096 223 R HA -0.177 4.163 4.340 0.000 0.000 0.235 223 R C 2.270 178.528 176.300 -0.069 0.000 1.127 223 R CA 1.840 57.846 56.100 -0.157 0.000 0.968 223 R CB -0.704 29.414 30.300 -0.303 0.000 0.861 223 R HN 0.780 nan 8.270 nan 0.000 0.440 224 H N 0.110 119.104 119.070 -0.126 0.000 2.270 224 H HA -0.097 4.459 4.556 0.000 0.000 0.299 224 H C 2.164 177.587 175.328 0.158 0.000 1.077 224 H CA 1.931 58.030 56.048 0.085 0.000 1.294 224 H CB -0.055 29.791 29.762 0.140 0.000 1.371 224 H HN 0.202 nan 8.280 nan 0.000 0.491 225 I N 0.597 121.190 120.570 0.039 0.000 2.248 225 I HA -0.294 3.876 4.170 0.000 0.000 0.248 225 I C 2.580 178.706 176.117 0.016 0.000 1.107 225 I CA 0.730 61.998 61.300 -0.052 0.000 1.373 225 I CB -0.202 37.775 38.000 -0.039 0.000 1.055 225 I HN 0.321 nan 8.210 nan 0.000 0.418 226 L N 0.326 121.577 121.223 0.045 0.000 1.988 226 L HA -0.253 4.087 4.340 0.000 0.000 0.207 226 L C 2.521 179.448 176.870 0.095 0.000 1.071 226 L CA 1.886 56.752 54.840 0.043 0.000 0.744 226 L CB -1.072 40.996 42.059 0.015 0.000 0.893 226 L HN 0.235 nan 8.230 nan 0.000 0.433 227 Y N 0.289 120.630 120.300 0.068 0.000 2.165 227 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 227 Y C 2.301 178.294 175.900 0.155 0.000 1.155 227 Y CA 2.039 60.228 58.100 0.149 0.000 1.164 227 Y CB -0.664 37.983 38.460 0.312 0.000 0.978 227 Y HN 0.275 nan 8.280 nan 0.000 0.513 228 A N -0.378 122.633 122.820 0.318 0.000 1.858 228 A HA -0.203 4.117 4.320 0.000 0.000 0.216 228 A C 2.250 179.851 177.584 0.028 0.000 1.190 228 A CA 2.507 54.649 52.037 0.176 0.000 0.617 228 A CB -1.457 17.586 19.000 0.071 0.000 0.827 228 A HN 0.522 nan 8.150 nan 0.000 0.443 229 T N -0.214 114.350 114.554 0.017 0.000 2.652 229 T HA -0.188 4.162 4.350 0.000 0.000 0.267 229 T C 1.180 175.865 174.700 -0.026 0.000 1.039 229 T CA 1.607 63.712 62.100 0.010 0.000 1.153 229 T CB -0.532 68.340 68.868 0.006 0.000 0.863 229 T HN 0.663 nan 8.240 nan 0.000 0.428 230 N N 1.637 120.298 118.700 -0.064 0.000 2.716 230 N HA -0.264 4.476 4.740 0.000 0.000 0.250 230 N C -0.118 175.356 175.510 -0.060 0.000 1.033 230 N CA 0.923 53.917 53.050 -0.093 0.000 0.727 230 N CB -2.151 36.239 38.487 -0.160 0.000 0.950 230 N HN 0.654 nan 8.380 nan 0.000 0.541 231 N N -1.708 116.967 118.700 -0.041 0.000 2.738 231 N HA -0.224 4.516 4.740 0.000 0.000 0.249 231 N C 0.951 176.436 175.510 -0.041 0.000 1.047 231 N CA 1.047 54.074 53.050 -0.038 0.000 0.707 231 N CB -1.239 37.225 38.487 -0.039 0.000 0.937 231 N HN 1.018 nan 8.380 nan 0.000 0.545 232 G N 0.588 109.370 108.800 -0.031 0.000 2.336 232 G HA2 -0.359 3.601 3.960 0.000 0.000 0.233 232 G HA3 -0.359 3.601 3.960 0.000 0.000 0.233 232 G C 0.087 174.974 174.900 -0.022 0.000 1.053 232 G CA 0.380 45.463 45.100 -0.028 0.000 0.625 232 G HN 0.614 nan 8.290 nan 0.000 0.511 233 N N 1.951 120.625 118.700 -0.044 0.000 3.254 233 N HA 0.241 4.981 4.740 0.000 0.000 0.308 233 N C 0.694 176.178 175.510 -0.043 0.000 1.281 233 N CA -0.569 52.443 53.050 -0.064 0.000 1.212 233 N CB -0.329 38.114 38.487 -0.072 0.000 1.478 233 N HN 0.308 nan 8.380 nan 0.000 0.548 234 I N 1.891 122.467 120.570 0.011 0.000 2.989 234 I HA -0.166 4.004 4.170 0.000 0.000 0.311 234 I C 0.772 177.000 176.117 0.184 0.000 1.221 234 I CA 1.168 62.534 61.300 0.111 0.000 1.449 234 I CB -0.231 37.911 38.000 0.237 0.000 1.325 234 I HN 0.311 nan 8.210 nan 0.000 0.557 235 R N 3.962 124.560 120.500 0.164 0.000 2.534 235 R HA 0.387 4.727 4.340 0.000 0.000 0.301 235 R C -0.383 176.074 176.300 0.261 0.000 0.961 235 R CA -0.655 55.574 56.100 0.215 0.000 0.871 235 R CB 1.885 32.190 30.300 0.009 0.000 1.170 235 R HN 0.547 nan 8.270 nan 0.000 0.446 236 S N 1.506 117.340 115.700 0.223 0.000 2.531 236 S HA 0.527 4.997 4.470 0.000 0.000 0.279 236 S C -0.350 174.288 174.600 0.065 0.000 1.305 236 S CA -0.205 58.010 58.200 0.024 0.000 1.058 236 S CB 1.232 64.333 63.200 -0.165 0.000 0.899 236 S HN 0.706 nan 8.310 nan 0.000 0.493 237 A N 2.869 125.714 122.820 0.042 0.000 2.601 237 A HA 0.796 5.116 4.320 0.000 0.000 0.291 237 A C -1.435 176.139 177.584 -0.016 0.000 1.075 237 A CA -0.660 51.364 52.037 -0.021 0.000 0.671 237 A CB 1.088 20.142 19.000 0.089 0.000 1.277 237 A HN 0.790 nan 8.150 nan 0.000 0.417 238 I N 0.356 120.727 120.570 -0.330 0.000 2.656 238 I HA 0.670 4.840 4.170 0.000 0.000 0.292 238 I C -0.911 174.906 176.117 -0.501 0.000 1.144 238 I CA -0.137 60.978 61.300 -0.308 0.000 1.038 238 I CB 2.359 40.255 38.000 -0.172 0.000 1.244 238 I HN 0.677 nan 8.210 nan 0.000 0.420 239 T N 6.780 121.056 114.554 -0.462 0.000 2.842 239 T HA 0.466 4.816 4.350 0.000 0.000 0.308 239 T C -0.892 173.565 174.700 -0.404 0.000 1.041 239 T CA -0.353 61.495 62.100 -0.420 0.000 0.964 239 T CB 0.355 68.976 68.868 -0.411 0.000 0.972 239 T HN 0.294 nan 8.240 nan 0.000 0.460 240 V N 7.544 127.212 119.914 -0.409 0.000 2.389 240 V HA 0.386 4.506 4.120 0.000 0.000 0.264 240 V C 0.222 176.074 176.094 -0.404 0.000 1.049 240 V CA -0.501 61.584 62.300 -0.359 0.000 0.932 240 V CB -0.585 30.953 31.823 -0.474 0.000 1.011 240 V HN 0.748 nan 8.190 nan 0.000 0.475 241 F N 5.723 125.598 119.950 -0.124 0.000 2.284 241 F HA 0.394 4.921 4.527 0.000 0.000 0.297 241 F C -1.665 174.063 175.800 -0.121 0.000 1.215 241 F CA -2.063 55.833 58.000 -0.173 0.000 1.120 241 F CB 0.007 38.941 39.000 -0.110 0.000 1.426 241 F HN 0.301 nan 8.300 nan 0.000 0.514 242 P HA -0.009 nan 4.420 nan 0.000 0.262 242 P C -0.971 176.335 177.300 0.011 0.000 1.182 242 P CA -0.010 62.966 63.100 -0.206 0.000 0.761 242 P CB 0.190 31.461 31.700 -0.716 0.000 0.795 243 Q N 3.437 123.221 119.800 -0.026 0.000 2.841 243 Q HA 0.088 4.428 4.340 0.000 0.000 0.198 243 Q C 0.057 175.927 176.000 -0.216 0.000 1.135 243 Q CA -0.287 55.246 55.803 -0.451 0.000 1.167 243 Q CB 0.495 28.697 28.738 -0.893 0.000 1.288 243 Q HN 0.301 nan 8.270 nan 0.000 0.670 244 R N 0.066 120.402 120.500 -0.274 0.000 2.357 244 R HA 0.117 4.457 4.340 0.000 0.000 0.296 244 R C 0.272 176.529 176.300 -0.073 0.000 1.052 244 R CA 0.524 56.565 56.100 -0.099 0.000 0.988 244 R CB 0.841 31.083 30.300 -0.097 0.000 1.025 244 R HN 0.917 nan 8.270 nan 0.000 0.469 245 S N 2.445 118.152 115.700 0.012 0.000 2.696 245 S HA -0.034 4.436 4.470 0.000 0.000 0.172 245 S C 1.055 175.660 174.600 0.008 0.000 0.767 245 S CA 0.367 58.585 58.200 0.029 0.000 0.856 245 S CB -0.217 63.050 63.200 0.111 0.000 0.782 245 S HN 0.800 nan 8.310 nan 0.000 0.582 246 D N 0.407 120.807 120.400 0.000 0.000 2.269 246 D HA 0.258 4.898 4.640 0.000 0.000 0.220 246 D C 1.456 177.721 176.300 -0.058 0.000 0.962 246 D CA 1.278 55.250 54.000 -0.046 0.000 0.884 246 D CB -0.418 40.320 40.800 -0.104 0.000 1.023 246 D HN 0.894 nan 8.370 nan 0.000 0.484 247 G N 0.424 109.185 108.800 -0.066 0.000 2.456 247 G HA2 -0.145 3.815 3.960 0.000 0.000 0.208 247 G HA3 -0.145 3.815 3.960 0.000 0.000 0.208 247 G C 0.544 175.405 174.900 -0.064 0.000 1.004 247 G CA 0.177 45.247 45.100 -0.049 0.000 0.791 247 G HN 0.408 nan 8.290 nan 0.000 0.537 248 K N 0.112 120.433 120.400 -0.132 0.000 2.562 248 K HA 0.267 4.587 4.320 0.000 0.000 0.201 248 K C 0.061 176.623 176.600 -0.062 0.000 1.131 248 K CA -0.327 55.878 56.287 -0.136 0.000 1.059 248 K CB 0.364 32.739 32.500 -0.209 0.000 0.913 248 K HN 0.218 nan 8.250 nan 0.000 0.563 249 H N 0.443 119.535 119.070 0.037 0.000 2.674 249 H HA 0.267 4.823 4.556 0.000 0.000 0.235 249 H C -1.219 174.161 175.328 0.087 0.000 1.330 249 H CA -0.723 55.348 56.048 0.039 0.000 1.052 249 H CB 0.262 30.067 29.762 0.071 0.000 1.954 249 H HN 0.096 nan 8.280 nan 0.000 0.566 250 D N 0.508 121.007 120.400 0.165 0.000 2.210 250 D HA 0.135 4.775 4.640 0.000 0.000 0.249 250 D C 0.075 176.441 176.300 0.110 0.000 1.078 250 D CA -0.197 53.917 54.000 0.189 0.000 0.875 250 D CB 1.150 42.028 40.800 0.129 0.000 1.175 250 D HN 0.019 nan 8.370 nan 0.000 0.440 251 F N 2.312 122.297 119.950 0.059 0.000 2.411 251 F HA 0.348 4.875 4.527 0.000 0.000 0.355 251 F C 0.961 176.766 175.800 0.009 0.000 1.117 251 F CA -0.299 57.703 58.000 0.003 0.000 1.139 251 F CB 0.739 39.727 39.000 -0.020 0.000 1.120 251 F HN -0.153 nan 8.300 nan 0.000 0.493 252 R N 3.774 124.350 120.500 0.127 0.000 2.564 252 R HA 0.475 4.815 4.340 0.000 0.000 0.284 252 R C -1.654 174.784 176.300 0.230 0.000 1.031 252 R CA -1.093 55.108 56.100 0.168 0.000 0.904 252 R CB 2.203 32.616 30.300 0.188 0.000 1.199 252 R HN 0.469 nan 8.270 nan 0.000 0.443 253 L N 2.071 123.401 121.223 0.179 0.000 2.276 253 L HA 0.338 4.678 4.340 0.000 0.000 0.286 253 L C 0.771 177.878 176.870 0.396 0.000 1.061 253 L CA -0.112 54.851 54.840 0.205 0.000 0.807 253 L CB 0.526 42.632 42.059 0.079 0.000 1.177 253 L HN 0.559 nan 8.230 nan 0.000 0.429 254 W N 0.649 122.028 121.300 0.132 0.000 3.047 254 W HA 0.092 4.752 4.660 0.000 0.000 0.250 254 W C 0.535 177.244 176.519 0.318 0.000 1.314 254 W CA -0.622 56.922 57.345 0.332 0.000 1.540 254 W CB -1.050 28.668 29.460 0.430 0.000 1.127 254 W HN 0.501 nan 8.180 nan 0.000 0.679 255 N N -0.656 118.180 118.700 0.226 0.000 2.467 255 N HA 0.071 4.811 4.740 0.000 0.000 0.262 255 N C 1.180 176.541 175.510 -0.249 0.000 1.234 255 N CA 0.324 53.180 53.050 -0.323 0.000 0.952 255 N CB 0.732 39.098 38.487 -0.202 0.000 1.158 255 N HN -0.315 nan 8.380 nan 0.000 0.463 256 S N -0.342 115.131 115.700 -0.378 0.000 2.357 256 S HA -0.077 4.393 4.470 0.000 0.000 0.221 256 S C 0.325 174.814 174.600 -0.184 0.000 1.031 256 S CA 1.054 59.136 58.200 -0.195 0.000 0.982 256 S CB -0.185 62.919 63.200 -0.160 0.000 0.853 256 S HN 0.713 nan 8.310 nan 0.000 0.458 257 Q N -0.870 118.802 119.800 -0.214 0.000 2.456 257 Q HA 0.474 4.814 4.340 0.000 0.000 0.283 257 Q C -0.078 175.786 176.000 -0.226 0.000 1.084 257 Q CA -0.911 54.764 55.803 -0.215 0.000 0.801 257 Q CB 0.863 29.505 28.738 -0.160 0.000 1.434 257 Q HN -0.093 nan 8.270 nan 0.000 0.419 258 L N 0.661 121.755 121.223 -0.215 0.000 1.963 258 L HA -0.071 4.269 4.340 0.000 0.000 0.220 258 L C 0.897 177.619 176.870 -0.246 0.000 1.076 258 L CA 1.929 56.661 54.840 -0.180 0.000 0.772 258 L CB -0.395 41.566 42.059 -0.162 0.000 0.892 258 L HN 0.644 nan 8.230 nan 0.000 0.435 259 I N -0.972 119.367 120.570 -0.385 0.000 2.359 259 I HA 0.387 4.557 4.170 0.000 0.000 0.294 259 I C -0.157 175.341 176.117 -1.032 0.000 0.987 259 I CA -0.573 60.333 61.300 -0.657 0.000 1.225 259 I CB 1.414 38.958 38.000 -0.759 0.000 1.366 259 I HN 0.112 nan 8.210 nan 0.000 0.466 260 R N 5.286 125.273 120.500 -0.854 0.000 2.647 260 R HA 0.330 4.670 4.340 0.000 0.000 0.260 260 R C -1.705 174.387 176.300 -0.346 0.000 1.154 260 R CA -0.610 55.109 56.100 -0.635 0.000 1.029 260 R CB 0.709 30.828 30.300 -0.302 0.000 1.262 260 R HN 0.308 nan 8.270 nan 0.000 0.437 261 Y N 1.757 122.036 120.300 -0.034 0.000 2.426 261 Y HA 0.482 5.032 4.550 0.000 0.000 0.344 261 Y C 1.152 177.057 175.900 0.009 0.000 1.256 261 Y CA 0.372 58.504 58.100 0.053 0.000 1.451 261 Y CB 0.537 39.111 38.460 0.191 0.000 1.342 261 Y HN 0.711 nan 8.280 nan 0.000 0.600 262 A N 0.492 123.397 122.820 0.142 0.000 2.269 262 A HA 0.787 5.107 4.320 0.000 0.000 0.319 262 A C 0.192 177.566 177.584 -0.350 0.000 1.110 262 A CA -0.033 51.923 52.037 -0.134 0.000 0.847 262 A CB 0.385 19.270 19.000 -0.191 0.000 1.161 262 A HN 0.901 nan 8.150 nan 0.000 0.497 263 G N -0.146 108.386 108.800 -0.447 0.000 2.683 263 G HA2 0.582 4.542 3.960 0.000 0.000 0.299 263 G HA3 0.582 4.542 3.960 0.000 0.000 0.299 263 G C -1.423 173.252 174.900 -0.376 0.000 1.432 263 G CA -0.244 44.625 45.100 -0.386 0.000 0.978 263 G HN 0.498 nan 8.290 nan 0.000 0.513 264 Y N 0.188 120.545 120.300 0.095 0.000 2.429 264 Y HA 0.507 5.057 4.550 0.000 0.000 0.342 264 Y C 0.438 176.411 175.900 0.121 0.000 1.004 264 Y CA -1.122 57.064 58.100 0.144 0.000 1.075 264 Y CB 2.335 40.950 38.460 0.258 0.000 1.214 264 Y HN 0.497 nan 8.280 nan 0.000 0.455 265 Q N 4.138 124.095 119.800 0.261 0.000 2.406 265 Q HA 0.337 4.677 4.340 0.000 0.000 0.242 265 Q C -0.748 175.343 176.000 0.151 0.000 1.036 265 Q CA -0.297 55.602 55.803 0.161 0.000 0.904 265 Q CB 0.402 29.209 28.738 0.114 0.000 1.244 265 Q HN 0.686 nan 8.270 nan 0.000 0.478 266 M N 4.943 124.618 119.600 0.125 0.000 2.232 266 M HA 0.094 4.574 4.480 0.000 0.000 0.321 266 M C -1.248 175.063 176.300 0.018 0.000 1.101 266 M CA -1.475 53.860 55.300 0.058 0.000 1.181 266 M CB 0.255 32.885 32.600 0.049 0.000 1.432 266 M HN 0.511 nan 8.290 nan 0.000 0.457 267 P HA -0.228 nan 4.420 nan 0.000 0.216 267 P C 0.382 177.675 177.300 -0.012 0.000 1.157 267 P CA 1.766 64.849 63.100 -0.028 0.000 0.880 267 P CB -0.436 31.228 31.700 -0.060 0.000 0.791 268 D N -1.453 118.941 120.400 -0.010 0.000 2.348 268 D HA 0.023 4.663 4.640 0.000 0.000 0.248 268 D C 1.362 177.667 176.300 0.009 0.000 1.142 268 D CA 0.829 54.828 54.000 -0.002 0.000 0.904 268 D CB -0.729 40.069 40.800 -0.003 0.000 0.901 268 D HN 0.350 nan 8.370 nan 0.000 0.523 269 G N 0.985 109.794 108.800 0.015 0.000 2.253 269 G HA2 -0.335 3.625 3.960 0.000 0.000 0.251 269 G HA3 -0.335 3.625 3.960 0.000 0.000 0.251 269 G C 0.687 175.606 174.900 0.031 0.000 0.998 269 G CA 0.639 45.753 45.100 0.023 0.000 0.621 269 G HN 0.697 nan 8.290 nan 0.000 0.524 270 T N -0.824 113.749 114.554 0.032 0.000 2.732 270 T HA 0.693 5.043 4.350 0.000 0.000 0.287 270 T C 0.415 175.146 174.700 0.051 0.000 0.993 270 T CA -0.178 61.944 62.100 0.037 0.000 0.966 270 T CB 1.737 70.626 68.868 0.034 0.000 1.047 270 T HN 0.622 nan 8.240 nan 0.000 0.527 271 I N 0.333 120.930 120.570 0.044 0.000 2.498 271 I HA 0.514 4.684 4.170 0.000 0.000 0.290 271 I C 0.001 176.135 176.117 0.028 0.000 1.032 271 I CA -0.981 60.347 61.300 0.046 0.000 1.073 271 I CB 2.246 40.257 38.000 0.018 0.000 1.251 271 I HN 0.579 nan 8.210 nan 0.000 0.426 272 R N 3.342 123.882 120.500 0.066 0.000 2.562 272 R HA 0.748 5.088 4.340 0.000 0.000 0.298 272 R C 0.076 176.341 176.300 -0.058 0.000 0.961 272 R CA 0.363 56.492 56.100 0.048 0.000 0.881 272 R CB 1.818 32.222 30.300 0.174 0.000 1.159 272 R HN 0.911 nan 8.270 nan 0.000 0.450 273 G N 2.427 111.097 108.800 -0.217 0.000 2.508 273 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 273 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 273 G C -1.226 173.182 174.900 -0.820 0.000 1.287 273 G CA -0.135 44.736 45.100 -0.382 0.000 0.916 273 G HN 0.621 nan 8.290 nan 0.000 0.574 274 D N 1.668 121.792 120.400 -0.459 0.000 2.374 274 D HA 0.584 5.224 4.640 0.000 0.000 0.240 274 D C 1.484 177.701 176.300 -0.140 0.000 1.229 274 D CA 0.833 54.665 54.000 -0.279 0.000 0.895 274 D CB 0.742 41.687 40.800 0.242 0.000 1.046 274 D HN 0.963 nan 8.370 nan 0.000 0.498 275 A N 3.877 126.610 122.820 -0.145 0.000 2.070 275 A HA -0.074 4.246 4.320 0.000 0.000 0.220 275 A C 2.072 179.680 177.584 0.039 0.000 1.159 275 A CA 1.631 53.644 52.037 -0.040 0.000 0.656 275 A CB -0.253 18.736 19.000 -0.018 0.000 0.800 275 A HN 0.617 nan 8.150 nan 0.000 0.453 276 A N -0.150 122.716 122.820 0.077 0.000 1.930 276 A HA -0.034 4.286 4.320 0.000 0.000 0.217 276 A C 1.983 179.638 177.584 0.120 0.000 1.175 276 A CA 1.887 54.000 52.037 0.126 0.000 0.627 276 A CB -1.077 18.015 19.000 0.154 0.000 0.815 276 A HN 0.812 nan 8.150 nan 0.000 0.443 277 T N -2.195 112.412 114.554 0.088 0.000 3.327 277 T HA 0.514 4.864 4.350 0.000 0.000 0.241 277 T C 0.981 175.720 174.700 0.064 0.000 0.907 277 T CA -0.161 61.990 62.100 0.086 0.000 0.931 277 T CB -0.234 68.671 68.868 0.062 0.000 1.112 277 T HN 0.246 nan 8.240 nan 0.000 0.589 278 L N -0.046 121.218 121.223 0.069 0.000 2.084 278 L HA 0.143 4.483 4.340 0.000 0.000 0.202 278 L C 2.941 179.847 176.870 0.060 0.000 1.074 278 L CA 1.205 56.076 54.840 0.052 0.000 0.757 278 L CB -0.245 41.851 42.059 0.063 0.000 0.918 278 L HN 0.427 nan 8.230 nan 0.000 0.444 279 E N -0.112 120.139 120.200 0.084 0.000 2.077 279 E HA -0.282 4.068 4.350 0.000 0.000 0.193 279 E C 2.133 178.702 176.600 -0.051 0.000 0.989 279 E CA 1.347 57.776 56.400 0.047 0.000 0.800 279 E CB -0.069 29.703 29.700 0.120 0.000 0.746 279 E HN 0.353 nan 8.360 nan 0.000 0.452 280 F N 1.077 120.916 119.950 -0.186 0.000 2.186 280 F HA -0.144 4.383 4.527 0.000 0.000 0.299 280 F C 2.294 177.956 175.800 -0.229 0.000 1.090 280 F CA 1.680 59.495 58.000 -0.307 0.000 1.307 280 F CB -0.407 38.457 39.000 -0.226 0.000 1.019 280 F HN -0.036 nan 8.300 nan 0.000 0.489 281 T N -0.183 114.341 114.554 -0.050 0.000 2.708 281 T HA -0.281 4.069 4.350 0.000 0.000 0.266 281 T C 1.774 176.412 174.700 -0.102 0.000 1.037 281 T CA 1.747 63.778 62.100 -0.116 0.000 1.146 281 T CB -0.375 68.471 68.868 -0.037 0.000 0.865 281 T HN 0.254 nan 8.240 nan 0.000 0.435 282 Q N 0.509 120.278 119.800 -0.050 0.000 2.152 282 Q HA -0.102 4.238 4.340 0.000 0.000 0.206 282 Q C 2.072 178.007 176.000 -0.109 0.000 0.985 282 Q CA 1.289 57.078 55.803 -0.024 0.000 0.863 282 Q CB -0.681 28.054 28.738 -0.006 0.000 0.904 282 Q HN 0.416 nan 8.270 nan 0.000 0.422 283 L N -0.532 120.541 121.223 -0.250 0.000 2.017 283 L HA -0.192 4.148 4.340 0.000 0.000 0.208 283 L C 2.197 178.889 176.870 -0.297 0.000 1.073 283 L CA 1.869 56.527 54.840 -0.303 0.000 0.745 283 L CB -0.973 40.778 42.059 -0.513 0.000 0.894 283 L HN 0.411 nan 8.230 nan 0.000 0.432 284 C N -0.424 118.605 119.300 -0.450 0.000 2.413 284 C HA -0.169 4.291 4.460 0.000 0.000 0.277 284 C C 2.704 177.686 174.990 -0.013 0.000 1.265 284 C CA 0.538 59.342 59.018 -0.357 0.000 1.752 284 C CB -1.033 26.327 27.740 -0.634 0.000 1.998 284 C HN 0.552 nan 8.230 nan 0.000 0.489 285 I N 1.286 121.893 120.570 0.062 0.000 2.252 285 I HA -0.128 4.042 4.170 0.000 0.000 0.245 285 I C 2.049 178.188 176.117 0.036 0.000 1.102 285 I CA 1.751 63.127 61.300 0.125 0.000 1.385 285 I CB -1.478 36.594 38.000 0.120 0.000 1.064 285 I HN 0.340 nan 8.210 nan 0.000 0.414 286 D N 0.858 121.248 120.400 -0.017 0.000 2.178 286 D HA -0.086 4.554 4.640 0.000 0.000 0.201 286 D C 1.829 178.103 176.300 -0.044 0.000 0.980 286 D CA 0.884 54.860 54.000 -0.041 0.000 0.842 286 D CB -0.105 40.654 40.800 -0.068 0.000 0.948 286 D HN 0.316 nan 8.370 nan 0.000 0.472 287 L N 0.024 121.223 121.223 -0.041 0.000 2.737 287 L HA 0.278 4.618 4.340 0.000 0.000 0.236 287 L C 0.795 177.655 176.870 -0.017 0.000 1.219 287 L CA -0.295 54.523 54.840 -0.036 0.000 1.021 287 L CB -0.489 41.528 42.059 -0.070 0.000 1.291 287 L HN -0.022 nan 8.230 nan 0.000 0.470 288 G N 0.192 108.994 108.800 0.004 0.000 2.367 288 G HA2 -0.293 3.667 3.960 0.000 0.000 0.295 288 G HA3 -0.293 3.667 3.960 0.000 0.000 0.295 288 G C -0.623 174.317 174.900 0.068 0.000 1.019 288 G CA -0.147 44.961 45.100 0.013 0.000 1.224 288 G HN 0.495 nan 8.290 nan 0.000 0.510 289 W N 1.806 123.045 121.300 -0.101 0.000 2.512 289 W HA 0.717 5.377 4.660 0.000 0.000 0.335 289 W C 0.025 176.494 176.519 -0.083 0.000 1.088 289 W CA -1.785 55.501 57.345 -0.097 0.000 1.236 289 W CB 0.988 30.386 29.460 -0.104 0.000 1.307 289 W HN 0.058 nan 8.180 nan 0.000 0.567 290 K N 6.959 126.906 120.400 -0.755 0.000 2.220 290 K HA 0.173 4.493 4.320 0.000 0.000 0.283 290 K C -2.333 173.552 176.600 -1.192 0.000 1.098 290 K CA -1.993 53.851 56.287 -0.738 0.000 0.928 290 K CB -0.157 32.032 32.500 -0.519 0.000 1.214 290 K HN 0.294 nan 8.250 nan 0.000 0.442 291 P HA 0.148 nan 4.420 nan 0.000 0.268 291 P C 0.107 176.846 177.300 -0.935 0.000 1.282 291 P CA -0.086 62.384 63.100 -1.050 0.000 0.880 291 P CB 0.430 31.499 31.700 -1.052 0.000 0.971 292 R N 2.309 122.374 120.500 -0.726 0.000 2.323 292 R HA 0.018 4.358 4.340 0.000 0.000 0.198 292 R C -0.012 176.159 176.300 -0.215 0.000 0.988 292 R CA -0.220 55.679 56.100 -0.335 0.000 1.041 292 R CB -0.726 29.483 30.300 -0.152 0.000 0.926 292 R HN 0.415 nan 8.270 nan 0.000 0.476 293 Y N -0.519 119.458 120.300 -0.538 0.000 2.975 293 Y HA -0.298 4.252 4.550 0.000 0.000 0.194 293 Y C 0.751 176.618 175.900 -0.056 0.000 1.437 293 Y CA 0.772 58.514 58.100 -0.596 0.000 0.863 293 Y CB -1.397 36.788 38.460 -0.459 0.000 1.368 293 Y HN 0.261 nan 8.280 nan 0.000 0.365 294 G N 0.797 109.822 108.800 0.374 0.000 2.827 294 G HA2 0.616 4.576 3.960 0.000 0.000 0.296 294 G HA3 0.616 4.576 3.960 0.000 0.000 0.296 294 G C 0.204 175.259 174.900 0.259 0.000 1.362 294 G CA -1.016 44.250 45.100 0.277 0.000 0.809 294 G HN 0.238 nan 8.290 nan 0.000 0.522 295 R N -1.401 119.153 120.500 0.089 0.000 2.206 295 R HA 0.234 4.574 4.340 0.000 0.000 0.198 295 R C 0.034 176.042 176.300 -0.487 0.000 0.986 295 R CA 0.649 56.651 56.100 -0.165 0.000 1.029 295 R CB 0.216 30.363 30.300 -0.254 0.000 0.966 295 R HN 0.301 nan 8.270 nan 0.000 0.487 296 F N 1.017 120.936 119.950 -0.051 0.000 2.761 296 F HA 0.248 4.775 4.527 0.000 0.000 0.367 296 F C -0.772 174.988 175.800 -0.066 0.000 1.386 296 F CA -1.095 56.610 58.000 -0.492 0.000 1.177 296 F CB 0.649 39.243 39.000 -0.677 0.000 1.092 296 F HN -0.282 nan 8.300 nan 0.000 0.517 297 D N 1.648 122.231 120.400 0.305 0.000 2.365 297 D HA 0.151 4.791 4.640 0.000 0.000 0.237 297 D C 0.272 176.863 176.300 0.485 0.000 1.190 297 D CA 0.125 54.376 54.000 0.418 0.000 0.867 297 D CB 1.745 42.833 40.800 0.480 0.000 1.050 297 D HN -0.079 nan 8.370 nan 0.000 0.491 298 V N 3.882 124.065 119.914 0.449 0.000 2.509 298 V HA -0.090 4.030 4.120 0.000 0.000 0.297 298 V C 1.152 177.344 176.094 0.163 0.000 1.014 298 V CA 0.008 62.447 62.300 0.231 0.000 1.127 298 V CB -0.149 31.747 31.823 0.121 0.000 0.925 298 V HN 0.357 nan 8.190 nan 0.000 0.480 299 L N 8.550 129.764 121.223 -0.015 0.000 2.473 299 L HA 0.282 4.622 4.340 0.000 0.000 0.268 299 L C -1.648 175.102 176.870 -0.202 0.000 1.215 299 L CA -1.238 53.465 54.840 -0.230 0.000 0.823 299 L CB 0.527 42.484 42.059 -0.170 0.000 1.099 299 L HN 0.481 nan 8.230 nan 0.000 0.483 300 P HA 0.091 nan 4.420 nan 0.000 0.281 300 P C -0.938 176.298 177.300 -0.107 0.000 1.249 300 P CA -0.672 62.289 63.100 -0.232 0.000 0.810 300 P CB 1.232 32.666 31.700 -0.443 0.000 1.008 301 L N 3.430 124.630 121.223 -0.039 0.000 2.385 301 L HA 0.099 4.439 4.340 0.000 0.000 0.281 301 L C 0.002 176.880 176.870 0.015 0.000 1.106 301 L CA -0.050 54.798 54.840 0.014 0.000 0.856 301 L CB 0.099 42.173 42.059 0.025 0.000 1.186 301 L HN 0.104 nan 8.230 nan 0.000 0.453 302 V N 6.805 126.757 119.914 0.062 0.000 2.320 302 V HA 0.272 4.392 4.120 0.000 0.000 0.265 302 V C 0.093 176.128 176.094 -0.097 0.000 1.048 302 V CA -0.583 61.688 62.300 -0.048 0.000 0.865 302 V CB 0.930 32.734 31.823 -0.032 0.000 1.043 302 V HN 0.395 nan 8.190 nan 0.000 0.474 303 L N 5.092 126.246 121.223 -0.116 0.000 2.334 303 L HA 0.670 5.010 4.340 0.000 0.000 0.272 303 L C -0.033 176.676 176.870 -0.269 0.000 1.020 303 L CA -0.203 54.547 54.840 -0.149 0.000 0.812 303 L CB 1.870 43.852 42.059 -0.128 0.000 1.264 303 L HN 0.834 nan 8.230 nan 0.000 0.439 304 Q N 1.532 121.187 119.800 -0.242 0.000 2.263 304 Q HA 0.877 5.217 4.340 0.000 0.000 0.266 304 Q C -1.619 174.197 176.000 -0.307 0.000 1.002 304 Q CA -0.772 54.862 55.803 -0.281 0.000 0.790 304 Q CB 1.976 30.557 28.738 -0.261 0.000 1.272 304 Q HN 0.662 nan 8.270 nan 0.000 0.435 305 A N 2.441 125.015 122.820 -0.409 0.000 2.340 305 A HA 0.585 4.905 4.320 0.000 0.000 0.331 305 A C -0.311 176.770 177.584 -0.838 0.000 1.140 305 A CA -0.346 51.175 52.037 -0.860 0.000 0.801 305 A CB 0.957 19.642 19.000 -0.526 0.000 1.234 305 A HN 1.011 nan 8.150 nan 0.000 0.469 306 D N 0.631 120.199 120.400 -1.387 0.000 2.779 306 D HA -0.097 4.543 4.640 0.000 0.000 0.223 306 D C 1.373 177.566 176.300 -0.179 0.000 1.227 306 D CA 2.842 56.519 54.000 -0.538 0.000 0.653 306 D CB -0.882 39.714 40.800 -0.341 0.000 0.973 306 D HN 1.864 nan 8.370 nan 0.000 0.402 307 G N -0.225 108.530 108.800 -0.075 0.000 2.708 307 G HA2 -0.436 3.524 3.960 0.000 0.000 0.229 307 G HA3 -0.436 3.524 3.960 0.000 0.000 0.229 307 G C 0.444 175.380 174.900 0.061 0.000 1.236 307 G CA 0.447 45.602 45.100 0.092 0.000 0.749 307 G HN 0.582 nan 8.290 nan 0.000 0.515 308 Q N 2.379 122.147 119.800 -0.054 0.000 2.352 308 Q HA 0.350 4.690 4.340 0.000 0.000 0.326 308 Q C 0.530 176.458 176.000 -0.120 0.000 1.135 308 Q CA 0.765 56.529 55.803 -0.065 0.000 1.000 308 Q CB 0.249 28.922 28.738 -0.109 0.000 1.237 308 Q HN 0.573 nan 8.270 nan 0.000 0.409 309 D N 2.574 122.904 120.400 -0.117 0.000 2.346 309 D HA 0.050 4.690 4.640 0.000 0.000 0.236 309 D C -2.161 173.875 176.300 -0.440 0.000 1.259 309 D CA -0.838 52.971 54.000 -0.318 0.000 0.898 309 D CB -0.050 40.623 40.800 -0.212 0.000 1.178 309 D HN 0.340 nan 8.370 nan 0.000 0.457 310 P HA 0.114 nan 4.420 nan 0.000 0.276 310 P C -0.810 176.242 177.300 -0.412 0.000 1.253 310 P CA -0.037 62.617 63.100 -0.743 0.000 0.766 310 P CB 0.588 31.423 31.700 -1.442 0.000 0.845 311 E N 1.810 121.865 120.200 -0.241 0.000 2.197 311 E HA 0.289 4.639 4.350 0.000 0.000 0.281 311 E C -0.367 176.100 176.600 -0.221 0.000 0.995 311 E CA -1.044 55.236 56.400 -0.200 0.000 0.808 311 E CB 1.517 31.184 29.700 -0.055 0.000 1.093 311 E HN 0.231 nan 8.360 nan 0.000 0.394 312 V N 4.818 124.507 119.914 -0.376 0.000 2.408 312 V HA 0.211 4.331 4.120 0.000 0.000 0.267 312 V C -0.576 175.210 176.094 -0.513 0.000 1.047 312 V CA -0.118 61.997 62.300 -0.309 0.000 0.937 312 V CB -0.410 31.280 31.823 -0.221 0.000 0.999 312 V HN 0.481 nan 8.190 nan 0.000 0.472 313 F N 2.385 122.122 119.950 -0.356 0.000 2.507 313 F HA 0.478 5.005 4.527 0.000 0.000 0.325 313 F C 0.321 175.858 175.800 -0.437 0.000 1.116 313 F CA -0.821 56.827 58.000 -0.587 0.000 0.930 313 F CB 1.637 39.860 39.000 -1.295 0.000 1.146 313 F HN 0.438 nan 8.300 nan 0.000 0.447 314 E N 3.514 123.663 120.200 -0.085 0.000 2.249 314 E HA 0.435 4.785 4.350 0.000 0.000 0.280 314 E C -0.622 176.095 176.600 0.195 0.000 1.016 314 E CA -0.551 55.904 56.400 0.092 0.000 0.830 314 E CB 0.942 30.750 29.700 0.180 0.000 1.081 314 E HN 0.523 nan 8.360 nan 0.000 0.395 315 I N 5.626 126.324 120.570 0.214 0.000 2.556 315 I HA 0.124 4.294 4.170 0.000 0.000 0.284 315 I C -1.986 174.264 176.117 0.222 0.000 1.114 315 I CA -1.995 59.471 61.300 0.277 0.000 1.418 315 I CB 0.454 38.549 38.000 0.159 0.000 1.394 315 I HN 0.345 nan 8.210 nan 0.000 0.552 316 P HA 0.095 nan 4.420 nan 0.000 0.264 316 P C -1.997 175.360 177.300 0.094 0.000 1.229 316 P CA -0.894 62.289 63.100 0.138 0.000 0.780 316 P CB 0.209 31.963 31.700 0.090 0.000 0.808 317 P HA -0.233 nan 4.420 nan 0.000 0.218 317 P C 0.800 178.132 177.300 0.052 0.000 1.147 317 P CA 1.433 64.579 63.100 0.077 0.000 0.827 317 P CB -0.021 31.726 31.700 0.078 0.000 0.778 318 D N -1.383 119.042 120.400 0.042 0.000 2.310 318 D HA -0.046 4.594 4.640 0.000 0.000 0.212 318 D C 1.788 178.098 176.300 0.017 0.000 0.965 318 D CA 0.849 54.863 54.000 0.025 0.000 0.879 318 D CB -0.078 40.733 40.800 0.018 0.000 0.921 318 D HN 0.283 nan 8.370 nan 0.000 0.510 319 L N 0.385 121.621 121.223 0.022 0.000 2.307 319 L HA 0.022 4.362 4.340 0.000 0.000 0.211 319 L C 0.775 177.651 176.870 0.010 0.000 1.099 319 L CA 0.209 55.056 54.840 0.011 0.000 0.816 319 L CB 0.364 42.428 42.059 0.009 0.000 0.952 319 L HN -0.221 nan 8.230 nan 0.000 0.455 320 V N 2.732 122.658 119.914 0.019 0.000 2.326 320 V HA 0.040 4.160 4.120 0.000 0.000 0.249 320 V C 0.142 176.251 176.094 0.026 0.000 1.114 320 V CA -0.330 61.979 62.300 0.016 0.000 1.028 320 V CB 0.334 32.172 31.823 0.024 0.000 1.170 320 V HN 0.080 nan 8.190 nan 0.000 0.494 321 L N 5.726 126.962 121.223 0.021 0.000 2.360 321 L HA 0.448 4.788 4.340 0.000 0.000 0.276 321 L C 0.161 177.039 176.870 0.014 0.000 1.121 321 L CA 0.691 55.535 54.840 0.006 0.000 0.845 321 L CB 0.429 42.484 42.059 -0.007 0.000 1.143 321 L HN 0.648 nan 8.230 nan 0.000 0.452 322 E N 3.375 123.563 120.200 -0.020 0.000 2.320 322 E HA 0.637 4.987 4.350 0.000 0.000 0.264 322 E C -1.464 175.048 176.600 -0.146 0.000 0.923 322 E CA -1.106 55.272 56.400 -0.036 0.000 0.796 322 E CB 2.476 32.183 29.700 0.011 0.000 1.262 322 E HN 0.393 nan 8.360 nan 0.000 0.428 323 V N 1.604 121.394 119.914 -0.206 0.000 2.483 323 V HA 0.240 4.360 4.120 0.000 0.000 0.297 323 V C -0.216 175.793 176.094 -0.141 0.000 1.027 323 V CA -0.826 61.299 62.300 -0.292 0.000 0.855 323 V CB 1.633 33.029 31.823 -0.711 0.000 0.995 323 V HN 0.838 nan 8.190 nan 0.000 0.424 324 T N 3.687 118.175 114.554 -0.109 0.000 2.832 324 T HA 0.500 4.850 4.350 0.000 0.000 0.296 324 T C -0.044 174.662 174.700 0.010 0.000 0.968 324 T CA -0.754 61.305 62.100 -0.068 0.000 1.107 324 T CB 0.745 69.573 68.868 -0.067 0.000 0.916 324 T HN 0.306 nan 8.240 nan 0.000 0.517 325 M N 3.887 123.528 119.600 0.068 0.000 2.188 325 M HA 0.298 4.778 4.480 0.000 0.000 0.354 325 M C 0.409 176.871 176.300 0.270 0.000 1.342 325 M CA -0.041 55.389 55.300 0.215 0.000 1.117 325 M CB -0.165 32.624 32.600 0.316 0.000 1.670 325 M HN 0.956 nan 8.290 nan 0.000 0.466 326 E N 1.969 122.366 120.200 0.327 0.000 2.321 326 E HA 0.307 4.657 4.350 0.000 0.000 0.281 326 E C -1.248 175.502 176.600 0.250 0.000 0.910 326 E CA -0.811 55.792 56.400 0.340 0.000 0.770 326 E CB 1.585 31.401 29.700 0.194 0.000 1.225 326 E HN 0.599 nan 8.360 nan 0.000 0.417 327 H N 4.505 123.559 119.070 -0.026 0.000 2.610 327 H HA 0.173 4.729 4.556 0.000 0.000 0.336 327 H C -1.571 173.614 175.328 -0.238 0.000 1.087 327 H CA -1.941 53.907 56.048 -0.333 0.000 1.405 327 H CB 1.679 31.048 29.762 -0.656 0.000 1.460 327 H HN 0.486 nan 8.280 nan 0.000 0.538 328 P HA -0.031 nan 4.420 nan 0.000 0.234 328 P C 0.314 177.624 177.300 0.017 0.000 1.167 328 P CA 0.877 63.726 63.100 -0.417 0.000 0.763 328 P CB 0.791 31.987 31.700 -0.839 0.000 0.835 329 K N -1.986 118.614 120.400 0.333 0.000 2.703 329 K HA 0.170 4.490 4.320 0.000 0.000 0.196 329 K C 0.021 176.623 176.600 0.004 0.000 1.457 329 K CA 0.342 56.717 56.287 0.147 0.000 1.115 329 K CB 0.055 32.669 32.500 0.189 0.000 1.661 329 K HN -0.122 nan 8.250 nan 0.000 0.552 330 Y N 3.091 123.093 120.300 -0.496 0.000 2.616 330 Y HA 0.166 4.716 4.550 0.000 0.000 0.350 330 Y C 0.667 176.233 175.900 -0.557 0.000 1.119 330 Y CA -0.430 57.281 58.100 -0.648 0.000 1.467 330 Y CB -0.066 37.687 38.460 -1.178 0.000 1.287 330 Y HN 0.127 nan 8.280 nan 0.000 0.504 331 E N 2.540 122.671 120.200 -0.115 0.000 2.333 331 E HA -0.185 4.165 4.350 0.000 0.000 0.198 331 E C 1.288 177.907 176.600 0.032 0.000 1.007 331 E CA 1.031 57.427 56.400 -0.008 0.000 0.845 331 E CB -0.073 29.660 29.700 0.056 0.000 0.766 331 E HN 0.878 nan 8.360 nan 0.000 0.507 332 W N -0.256 121.139 121.300 0.157 0.000 2.937 332 W HA -0.001 4.659 4.660 -0.000 0.000 0.245 332 W C 1.233 177.847 176.519 0.159 0.000 1.306 332 W CA -0.266 57.156 57.345 0.128 0.000 1.470 332 W CB -0.727 28.795 29.460 0.103 0.000 1.132 332 W HN -0.049 nan 8.180 nan 0.000 0.675 333 F N 3.454 123.066 119.950 -0.563 0.000 2.146 333 F HA -0.217 4.310 4.527 0.000 0.000 0.298 333 F C 2.846 178.581 175.800 -0.107 0.000 1.096 333 F CA 2.799 60.509 58.000 -0.483 0.000 1.275 333 F CB -0.460 38.197 39.000 -0.571 0.000 1.008 333 F HN 0.015 nan 8.300 nan 0.000 0.480 334 Q N -0.427 119.385 119.800 0.020 0.000 2.436 334 Q HA -0.135 4.205 4.340 0.000 0.000 0.209 334 Q C 1.376 177.361 176.000 -0.025 0.000 0.965 334 Q CA 1.401 57.197 55.803 -0.011 0.000 0.910 334 Q CB -0.657 28.113 28.738 0.053 0.000 0.980 334 Q HN 0.494 nan 8.270 nan 0.000 0.491 335 E N 0.340 120.555 120.200 0.026 0.000 2.427 335 E HA -0.065 4.285 4.350 0.000 0.000 0.196 335 E C 1.098 177.709 176.600 0.019 0.000 1.028 335 E CA 0.161 56.596 56.400 0.058 0.000 0.864 335 E CB 0.168 29.952 29.700 0.139 0.000 0.813 335 E HN 0.300 nan 8.360 nan 0.000 0.514 336 L N -0.284 120.895 121.223 -0.074 0.000 2.376 336 L HA 0.045 4.385 4.340 0.000 0.000 0.219 336 L C 1.452 178.275 176.870 -0.079 0.000 1.133 336 L CA 1.164 55.932 54.840 -0.121 0.000 0.816 336 L CB -0.605 41.241 42.059 -0.356 0.000 0.933 336 L HN 0.186 nan 8.230 nan 0.000 0.449 337 G N -0.138 108.621 108.800 -0.069 0.000 2.295 337 G HA2 -0.253 3.707 3.960 0.000 0.000 0.287 337 G HA3 -0.253 3.707 3.960 0.000 0.000 0.287 337 G C -0.112 174.799 174.900 0.018 0.000 1.055 337 G CA -0.048 45.050 45.100 -0.004 0.000 0.922 337 G HN 0.126 nan 8.290 nan 0.000 0.503 338 L N -0.177 120.975 121.223 -0.119 0.000 2.344 338 L HA 0.931 5.271 4.340 0.000 0.000 0.272 338 L C 0.477 177.213 176.870 -0.223 0.000 1.035 338 L CA -0.410 54.343 54.840 -0.145 0.000 0.807 338 L CB 1.714 43.556 42.059 -0.360 0.000 1.237 338 L HN 0.674 nan 8.230 nan 0.000 0.442 339 K N 0.660 120.850 120.400 -0.351 0.000 2.672 339 K HA 0.525 4.845 4.320 0.000 0.000 0.295 339 K C -1.960 174.665 176.600 0.042 0.000 1.042 339 K CA -1.034 55.118 56.287 -0.225 0.000 0.869 339 K CB 1.574 33.816 32.500 -0.430 0.000 1.541 339 K HN 0.496 nan 8.250 nan 0.000 0.396 340 W N 1.791 123.048 121.300 -0.071 0.000 3.275 340 W HA 0.309 4.969 4.660 0.000 0.000 0.306 340 W C -1.318 175.204 176.519 0.005 0.000 1.259 340 W CA -0.783 56.587 57.345 0.040 0.000 1.194 340 W CB 1.359 30.692 29.460 -0.211 0.000 1.375 340 W HN 0.686 nan 8.180 nan 0.000 0.564 341 Y N 1.349 121.472 120.300 -0.295 0.000 2.480 341 Y HA 0.445 4.995 4.550 0.000 0.000 0.338 341 Y C 0.809 176.815 175.900 0.178 0.000 1.220 341 Y CA 0.387 58.407 58.100 -0.134 0.000 1.430 341 Y CB 0.118 38.388 38.460 -0.318 0.000 1.311 341 Y HN 0.339 nan 8.280 nan 0.000 0.575 342 A N 2.555 125.554 122.820 0.298 0.000 2.218 342 A HA 0.188 4.508 4.320 0.000 0.000 0.209 342 A C 0.160 178.063 177.584 0.532 0.000 1.168 342 A CA 0.002 52.276 52.037 0.396 0.000 0.804 342 A CB -0.217 18.855 19.000 0.119 0.000 0.834 342 A HN 0.642 nan 8.150 nan 0.000 0.482 343 L N 1.747 123.252 121.223 0.469 0.000 2.276 343 L HA 0.451 4.791 4.340 0.000 0.000 0.286 343 L C -2.613 174.405 176.870 0.247 0.000 1.024 343 L CA -2.117 52.896 54.840 0.289 0.000 0.826 343 L CB 1.805 43.926 42.059 0.102 0.000 1.211 343 L HN -0.070 nan 8.230 nan 0.000 0.422 344 P HA 0.377 nan 4.420 nan 0.000 0.270 344 P C -1.459 175.713 177.300 -0.213 0.000 1.551 344 P CA -0.306 62.625 63.100 -0.281 0.000 1.049 344 P CB 1.229 32.448 31.700 -0.802 0.000 1.397 345 A N 4.154 126.856 122.820 -0.197 0.000 2.332 345 A HA 0.495 4.815 4.320 0.000 0.000 0.300 345 A C -0.310 177.044 177.584 -0.384 0.000 1.153 345 A CA -0.685 51.178 52.037 -0.289 0.000 0.764 345 A CB 1.258 20.102 19.000 -0.260 0.000 1.174 345 A HN 0.268 nan 8.150 nan 0.000 0.467 346 V N 2.870 122.383 119.914 -0.668 0.000 2.455 346 V HA 0.384 4.504 4.120 0.000 0.000 0.273 346 V C 1.244 176.889 176.094 -0.748 0.000 1.045 346 V CA 0.667 62.513 62.300 -0.756 0.000 0.976 346 V CB 0.484 31.670 31.823 -1.063 0.000 0.993 346 V HN 1.094 nan 8.190 nan 0.000 0.475 347 A N 4.707 127.285 122.820 -0.403 0.000 1.881 347 A HA 0.000 4.320 4.320 0.000 0.000 0.210 347 A C 1.556 179.045 177.584 -0.158 0.000 1.239 347 A CA 0.791 52.683 52.037 -0.242 0.000 0.629 347 A CB -0.424 18.491 19.000 -0.143 0.000 0.906 347 A HN 0.917 nan 8.150 nan 0.000 0.460 348 N N -0.401 118.222 118.700 -0.129 0.000 2.530 348 N HA 0.118 4.858 4.740 0.000 0.000 0.216 348 N C -0.082 175.401 175.510 -0.045 0.000 1.315 348 N CA -0.062 52.953 53.050 -0.057 0.000 0.858 348 N CB -0.182 38.281 38.487 -0.039 0.000 1.138 348 N HN 0.407 nan 8.380 nan 0.000 0.473 349 M N 1.159 120.732 119.600 -0.044 0.000 2.472 349 M HA 0.345 4.825 4.480 0.000 0.000 0.331 349 M C -0.642 175.760 176.300 0.169 0.000 1.170 349 M CA -0.905 54.422 55.300 0.046 0.000 1.009 349 M CB 2.716 35.352 32.600 0.060 0.000 1.672 349 M HN 0.153 nan 8.290 nan 0.000 0.453 350 L N 3.005 124.361 121.223 0.221 0.000 2.322 350 L HA 0.554 4.894 4.340 0.000 0.000 0.279 350 L C -1.404 175.681 176.870 0.358 0.000 1.036 350 L CA -0.923 54.075 54.840 0.263 0.000 0.807 350 L CB 1.252 43.430 42.059 0.199 0.000 1.226 350 L HN 0.593 nan 8.230 nan 0.000 0.433 351 L N 5.122 126.559 121.223 0.356 0.000 2.276 351 L HA 0.440 4.780 4.340 0.000 0.000 0.286 351 L C -0.431 176.597 176.870 0.264 0.000 1.024 351 L CA 0.104 55.123 54.840 0.298 0.000 0.826 351 L CB 1.110 43.336 42.059 0.278 0.000 1.211 351 L HN 0.610 nan 8.230 nan 0.000 0.422 352 E N 4.716 125.030 120.200 0.190 0.000 2.216 352 E HA 0.531 4.881 4.350 0.000 0.000 0.279 352 E C -1.834 174.790 176.600 0.040 0.000 0.997 352 E CA -0.363 56.100 56.400 0.104 0.000 0.817 352 E CB 1.891 31.648 29.700 0.096 0.000 1.096 352 E HN 0.512 nan 8.360 nan 0.000 0.393 353 V N 3.128 123.021 119.914 -0.035 0.000 2.823 353 V HA 0.423 4.543 4.120 0.000 0.000 0.296 353 V C 0.176 176.126 176.094 -0.240 0.000 1.250 353 V CA 0.411 62.603 62.300 -0.180 0.000 0.939 353 V CB 1.318 32.968 31.823 -0.288 0.000 1.062 353 V HN 0.893 nan 8.190 nan 0.000 0.433 354 G N 4.405 113.101 108.800 -0.172 0.000 2.422 354 G HA2 0.082 4.042 3.960 0.000 0.000 0.301 354 G HA3 0.082 4.042 3.960 0.000 0.000 0.301 354 G C 1.635 176.633 174.900 0.162 0.000 0.981 354 G CA 1.558 46.707 45.100 0.083 0.000 0.994 354 G HN 2.767 nan 8.290 nan 0.000 0.514 355 G N -2.054 106.770 108.800 0.040 0.000 2.267 355 G HA2 -0.264 3.696 3.960 0.000 0.000 0.257 355 G HA3 -0.264 3.696 3.960 0.000 0.000 0.257 355 G C 0.538 175.444 174.900 0.009 0.000 0.998 355 G CA 0.645 45.798 45.100 0.089 0.000 0.620 355 G HN 1.282 nan 8.290 nan 0.000 0.529 356 L N 1.094 122.276 121.223 -0.068 0.000 2.379 356 L HA 0.677 5.017 4.340 0.000 0.000 0.269 356 L C 0.399 177.111 176.870 -0.264 0.000 1.084 356 L CA -0.627 54.067 54.840 -0.244 0.000 0.802 356 L CB 1.233 43.039 42.059 -0.421 0.000 1.175 356 L HN 0.492 nan 8.230 nan 0.000 0.448 357 E N 1.493 121.457 120.200 -0.393 0.000 2.278 357 E HA 0.393 4.743 4.350 0.000 0.000 0.272 357 E C -1.658 174.747 176.600 -0.325 0.000 0.890 357 E CA -0.622 55.640 56.400 -0.230 0.000 0.770 357 E CB 1.384 31.011 29.700 -0.121 0.000 1.212 357 E HN 0.227 nan 8.360 nan 0.000 0.415 358 F N 3.407 123.364 119.950 0.012 0.000 2.291 358 F HA 0.299 4.826 4.527 0.000 0.000 0.368 358 F C -1.531 174.326 175.800 0.095 0.000 1.085 358 F CA -2.534 55.494 58.000 0.046 0.000 1.165 358 F CB 1.380 40.403 39.000 0.037 0.000 1.429 358 F HN 0.381 nan 8.300 nan 0.000 0.503 359 P HA -0.053 nan 4.420 nan 0.000 0.236 359 P C -0.028 177.392 177.300 0.200 0.000 1.172 359 P CA 0.637 63.844 63.100 0.179 0.000 0.759 359 P CB 0.366 32.142 31.700 0.127 0.000 0.843 360 A N 0.269 123.250 122.820 0.268 0.000 2.457 360 A HA 0.536 4.856 4.320 0.000 0.000 0.283 360 A C -0.136 177.667 177.584 0.365 0.000 1.166 360 A CA -0.409 51.791 52.037 0.271 0.000 0.740 360 A CB 0.300 19.434 19.000 0.223 0.000 1.181 360 A HN 0.275 nan 8.150 nan 0.000 0.446 361 C N 0.720 120.185 119.300 0.274 0.000 2.890 361 C HA 0.434 4.894 4.460 0.000 0.000 0.264 361 C C -3.005 172.057 174.990 0.119 0.000 0.934 361 C CA -1.396 57.739 59.018 0.194 0.000 1.016 361 C CB -0.347 27.481 27.740 0.146 0.000 1.704 361 C HN 0.566 nan 8.230 nan 0.000 0.671 362 P HA 0.305 nan 4.420 nan 0.000 0.264 362 P C -0.497 176.797 177.300 -0.010 0.000 1.193 362 P CA 0.964 64.016 63.100 -0.080 0.000 0.763 362 P CB 0.446 32.174 31.700 0.046 0.000 0.810 363 F N 0.925 120.810 119.950 -0.108 0.000 2.611 363 F HA 0.723 5.250 4.527 0.000 0.000 0.324 363 F C -0.363 175.321 175.800 -0.192 0.000 1.061 363 F CA -1.207 56.685 58.000 -0.181 0.000 0.954 363 F CB 1.608 40.314 39.000 -0.489 0.000 1.301 363 F HN 0.309 nan 8.300 nan 0.000 0.482 364 N N -0.170 118.540 118.700 0.017 0.000 2.396 364 N HA 0.697 5.437 4.740 0.000 0.000 0.275 364 N C -1.217 174.186 175.510 -0.179 0.000 1.218 364 N CA -0.359 52.625 53.050 -0.110 0.000 0.812 364 N CB 1.849 40.258 38.487 -0.130 0.000 1.592 364 N HN 1.063 nan 8.380 nan 0.000 0.480 365 G N -0.615 108.054 108.800 -0.219 0.000 3.264 365 G HA2 0.696 4.656 3.960 0.000 0.000 0.168 365 G HA3 0.696 4.656 3.960 0.000 0.000 0.168 365 G C -1.686 173.153 174.900 -0.101 0.000 1.145 365 G CA -0.764 44.133 45.100 -0.338 0.000 0.855 365 G HN 0.682 nan 8.290 nan 0.000 0.629 366 W N -1.596 119.682 121.300 -0.036 0.000 2.864 366 W HA 0.794 5.454 4.660 0.000 0.000 0.343 366 W C -1.353 175.151 176.519 -0.025 0.000 1.109 366 W CA -2.301 55.047 57.345 0.005 0.000 1.192 366 W CB 0.338 29.836 29.460 0.063 0.000 1.426 366 W HN 0.425 nan 8.180 nan 0.000 0.529 367 Y N 2.671 123.143 120.300 0.286 0.000 2.550 367 Y HA 0.134 4.684 4.550 0.000 0.000 0.343 367 Y C 0.861 176.795 175.900 0.056 0.000 1.245 367 Y CA 0.058 58.201 58.100 0.072 0.000 1.462 367 Y CB 0.777 39.180 38.460 -0.093 0.000 1.340 367 Y HN 0.400 nan 8.280 nan 0.000 0.604 368 M N 3.336 123.049 119.600 0.189 0.000 2.125 368 M HA 0.280 4.760 4.480 0.000 0.000 0.321 368 M C 1.038 177.306 176.300 -0.054 0.000 0.983 368 M CA -0.234 55.108 55.300 0.071 0.000 0.934 368 M CB 1.209 33.832 32.600 0.038 0.000 1.542 368 M HN 0.895 nan 8.290 nan 0.000 0.424 369 G N 2.668 111.379 108.800 -0.149 0.000 2.830 369 G HA2 -0.420 3.540 3.960 0.000 0.000 0.230 369 G HA3 -0.420 3.540 3.960 0.000 0.000 0.230 369 G C 1.093 175.808 174.900 -0.309 0.000 1.172 369 G CA 2.442 47.380 45.100 -0.271 0.000 0.764 369 G HN 0.868 nan 8.290 nan 0.000 0.640 370 T N -0.747 113.622 114.554 -0.309 0.000 2.802 370 T HA -0.141 4.209 4.350 0.000 0.000 0.269 370 T C 1.923 176.439 174.700 -0.305 0.000 1.062 370 T CA 1.897 63.779 62.100 -0.363 0.000 1.133 370 T CB -0.400 68.191 68.868 -0.461 0.000 0.852 370 T HN 0.619 nan 8.240 nan 0.000 0.485 371 E N 0.901 120.956 120.200 -0.241 0.000 2.058 371 E HA -0.065 4.285 4.350 0.000 0.000 0.194 371 E C 2.194 178.559 176.600 -0.391 0.000 0.997 371 E CA 1.556 57.836 56.400 -0.199 0.000 0.801 371 E CB -0.302 29.421 29.700 0.039 0.000 0.746 371 E HN 0.591 nan 8.360 nan 0.000 0.450 372 I N 0.377 120.578 120.570 -0.615 0.000 2.206 372 I HA -0.089 4.081 4.170 0.000 0.000 0.239 372 I C 2.647 178.221 176.117 -0.906 0.000 1.078 372 I CA 1.003 61.638 61.300 -1.109 0.000 1.367 372 I CB -0.665 36.550 38.000 -1.309 0.000 1.078 372 I HN 0.132 nan 8.210 nan 0.000 0.413 373 G N 0.670 109.155 108.800 -0.524 0.000 2.442 373 G HA2 -0.154 3.806 3.960 0.000 0.000 0.219 373 G HA3 -0.154 3.806 3.960 0.000 0.000 0.219 373 G C 1.588 176.411 174.900 -0.128 0.000 1.141 373 G CA 1.308 46.286 45.100 -0.205 0.000 0.763 373 G HN 0.268 nan 8.290 nan 0.000 0.554 374 V N 0.019 119.803 119.914 -0.215 0.000 2.581 374 V HA 0.097 4.217 4.120 0.000 0.000 0.240 374 V C 2.749 178.757 176.094 -0.142 0.000 1.054 374 V CA 0.818 63.023 62.300 -0.158 0.000 1.076 374 V CB -0.253 31.450 31.823 -0.200 0.000 0.748 374 V HN 0.119 nan 8.190 nan 0.000 0.474 375 R N 0.812 121.190 120.500 -0.204 0.000 2.051 375 R HA -0.023 4.317 4.340 0.000 0.000 0.225 375 R C 1.977 178.191 176.300 -0.142 0.000 1.155 375 R CA 1.541 57.542 56.100 -0.164 0.000 0.945 375 R CB -1.048 29.141 30.300 -0.185 0.000 0.840 375 R HN 0.461 nan 8.270 nan 0.000 0.432 376 D N 0.453 120.659 120.400 -0.322 0.000 2.097 376 D HA -0.125 4.515 4.640 0.000 0.000 0.195 376 D C 1.886 178.131 176.300 -0.091 0.000 0.989 376 D CA 1.177 54.935 54.000 -0.405 0.000 0.827 376 D CB -0.168 39.832 40.800 -1.332 0.000 0.966 376 D HN 0.085 nan 8.370 nan 0.000 0.456 377 F N 0.264 120.091 119.950 -0.205 0.000 2.317 377 F HA 0.043 4.570 4.527 0.000 0.000 0.293 377 F C 2.269 178.094 175.800 0.042 0.000 1.085 377 F CA -0.212 57.758 58.000 -0.050 0.000 1.390 377 F CB -0.549 38.398 39.000 -0.087 0.000 1.077 377 F HN 0.006 nan 8.300 nan 0.000 0.517 378 C N -0.742 118.669 119.300 0.185 0.000 2.906 378 C HA 0.225 4.685 4.460 0.000 0.000 0.274 378 C C 0.435 175.474 174.990 0.081 0.000 1.257 378 C CA -0.734 58.355 59.018 0.117 0.000 1.695 378 C CB -1.104 26.672 27.740 0.060 0.000 1.958 378 C HN 0.064 nan 8.230 nan 0.000 0.619 379 D N 0.846 121.297 120.400 0.086 0.000 2.339 379 D HA 0.188 4.828 4.640 0.000 0.000 0.245 379 D C 1.277 177.635 176.300 0.097 0.000 1.115 379 D CA 0.403 54.447 54.000 0.072 0.000 0.917 379 D CB 1.067 41.907 40.800 0.067 0.000 1.192 379 D HN 0.051 nan 8.370 nan 0.000 0.428 380 T N 0.324 114.928 114.554 0.083 0.000 2.942 380 T HA -0.136 4.214 4.350 0.000 0.000 0.265 380 T C 1.535 176.286 174.700 0.086 0.000 1.062 380 T CA 0.721 62.871 62.100 0.084 0.000 1.139 380 T CB 0.022 68.934 68.868 0.074 0.000 0.883 380 T HN 0.469 nan 8.240 nan 0.000 0.468 381 Q N 0.641 120.499 119.800 0.097 0.000 2.444 381 Q HA 0.115 4.455 4.340 0.000 0.000 0.206 381 Q C 0.952 177.012 176.000 0.100 0.000 0.948 381 Q CA 0.351 56.217 55.803 0.105 0.000 0.946 381 Q CB 0.224 29.048 28.738 0.143 0.000 1.027 381 Q HN 0.300 nan 8.270 nan 0.000 0.513 382 R N -0.269 120.297 120.500 0.111 0.000 3.006 382 R HA 0.259 4.599 4.340 0.000 0.000 0.150 382 R C 1.571 177.928 176.300 0.096 0.000 1.285 382 R CA -0.529 55.657 56.100 0.142 0.000 0.813 382 R CB -1.127 29.317 30.300 0.240 0.000 1.582 382 R HN 0.022 nan 8.270 nan 0.000 0.441 383 Y N 1.418 121.833 120.300 0.192 0.000 2.352 383 Y HA -0.098 4.452 4.550 0.000 0.000 0.292 383 Y C 0.702 176.676 175.900 0.125 0.000 1.136 383 Y CA 1.139 59.345 58.100 0.178 0.000 1.227 383 Y CB -0.207 38.426 38.460 0.290 0.000 0.991 383 Y HN 0.453 nan 8.280 nan 0.000 0.545 384 N N 0.499 119.348 118.700 0.248 0.000 2.696 384 N HA -0.216 4.524 4.740 0.000 0.000 0.256 384 N C 0.381 175.986 175.510 0.160 0.000 1.031 384 N CA 0.833 53.984 53.050 0.168 0.000 0.730 384 N CB -1.359 37.200 38.487 0.119 0.000 0.894 384 N HN 0.672 nan 8.380 nan 0.000 0.544 385 I N -3.319 117.350 120.570 0.167 0.000 3.603 385 I HA 0.038 4.208 4.170 0.000 0.000 0.297 385 I C 1.929 178.134 176.117 0.147 0.000 1.269 385 I CA -0.221 61.151 61.300 0.119 0.000 1.361 385 I CB -0.113 37.902 38.000 0.025 0.000 1.063 385 I HN 0.147 nan 8.210 nan 0.000 0.448 386 L N 2.342 123.667 121.223 0.171 0.000 2.034 386 L HA -0.283 4.057 4.340 0.000 0.000 0.217 386 L C 2.577 179.656 176.870 0.348 0.000 1.077 386 L CA 2.559 57.533 54.840 0.224 0.000 0.769 386 L CB -0.860 41.288 42.059 0.149 0.000 0.890 386 L HN 0.542 nan 8.230 nan 0.000 0.435 387 E N -0.529 119.845 120.200 0.289 0.000 2.058 387 E HA -0.287 4.063 4.350 0.000 0.000 0.194 387 E C 2.175 178.824 176.600 0.083 0.000 0.997 387 E CA 2.012 58.539 56.400 0.212 0.000 0.801 387 E CB -0.304 29.474 29.700 0.130 0.000 0.746 387 E HN 0.624 nan 8.360 nan 0.000 0.450 388 E N -0.653 119.602 120.200 0.092 0.000 2.046 388 E HA -0.124 4.226 4.350 0.000 0.000 0.190 388 E C 2.047 178.697 176.600 0.084 0.000 0.982 388 E CA 1.365 57.795 56.400 0.051 0.000 0.800 388 E CB 0.113 29.847 29.700 0.056 0.000 0.756 388 E HN 0.237 nan 8.360 nan 0.000 0.449 389 V N 0.554 120.583 119.914 0.191 0.000 2.594 389 V HA -0.166 3.954 4.120 0.000 0.000 0.253 389 V C 2.267 178.530 176.094 0.283 0.000 1.069 389 V CA 1.693 64.195 62.300 0.337 0.000 1.082 389 V CB -0.805 31.249 31.823 0.384 0.000 0.680 389 V HN 0.428 nan 8.190 nan 0.000 0.469 390 G N -0.178 108.765 108.800 0.238 0.000 2.394 390 G HA2 -0.181 3.779 3.960 0.000 0.000 0.214 390 G HA3 -0.181 3.779 3.960 0.000 0.000 0.214 390 G C 1.758 176.636 174.900 -0.037 0.000 1.176 390 G CA 0.486 45.713 45.100 0.212 0.000 0.786 390 G HN 0.387 nan 8.290 nan 0.000 0.533 391 R N 0.064 120.480 120.500 -0.141 0.000 2.083 391 R HA -0.022 4.318 4.340 0.000 0.000 0.237 391 R C 2.727 178.884 176.300 -0.238 0.000 1.137 391 R CA 1.308 57.282 56.100 -0.211 0.000 0.951 391 R CB -0.269 29.919 30.300 -0.185 0.000 0.851 391 R HN 0.228 nan 8.270 nan 0.000 0.434 392 R N -0.087 120.215 120.500 -0.331 0.000 2.293 392 R HA -0.025 4.315 4.340 0.000 0.000 0.219 392 R C 1.837 177.733 176.300 -0.675 0.000 1.091 392 R CA 0.905 56.578 56.100 -0.711 0.000 1.004 392 R CB -0.009 29.520 30.300 -1.285 0.000 0.865 392 R HN 0.272 nan 8.270 nan 0.000 0.469 393 M N -0.889 118.586 119.600 -0.209 0.000 2.502 393 M HA 0.142 4.622 4.480 0.000 0.000 0.243 393 M C 0.746 177.051 176.300 0.009 0.000 1.130 393 M CA 0.467 55.823 55.300 0.092 0.000 1.055 393 M CB 0.856 33.627 32.600 0.284 0.000 1.457 393 M HN 0.347 nan 8.290 nan 0.000 0.488 394 G N 2.268 111.012 108.800 -0.094 0.000 2.225 394 G HA2 -0.227 3.733 3.960 0.000 0.000 0.264 394 G HA3 -0.227 3.733 3.960 0.000 0.000 0.264 394 G C -0.242 174.619 174.900 -0.064 0.000 1.060 394 G CA -0.137 44.909 45.100 -0.091 0.000 0.833 394 G HN 0.391 nan 8.290 nan 0.000 0.498 395 L N -0.929 120.244 121.223 -0.082 0.000 2.375 395 L HA 0.481 4.821 4.340 0.000 0.000 0.268 395 L C 0.936 177.673 176.870 -0.222 0.000 1.058 395 L CA -0.994 53.803 54.840 -0.072 0.000 0.803 395 L CB 0.855 42.944 42.059 0.050 0.000 1.212 395 L HN 0.150 nan 8.230 nan 0.000 0.451 396 E N 0.553 120.654 120.200 -0.164 0.000 2.053 396 E HA -0.018 4.332 4.350 0.000 0.000 0.297 396 E C 0.574 176.857 176.600 -0.528 0.000 1.173 396 E CA -0.134 56.140 56.400 -0.210 0.000 1.219 396 E CB -0.088 29.587 29.700 -0.042 0.000 1.103 396 E HN 0.571 nan 8.360 nan 0.000 0.476 397 T N 0.854 114.869 114.554 -0.899 0.000 2.778 397 T HA -0.180 4.170 4.350 0.000 0.000 0.269 397 T C 0.945 175.083 174.700 -0.937 0.000 1.050 397 T CA 1.072 62.254 62.100 -1.529 0.000 1.137 397 T CB -0.131 67.943 68.868 -1.324 0.000 0.860 397 T HN 0.520 nan 8.240 nan 0.000 0.468 398 H N 0.665 119.576 119.070 -0.265 0.000 2.537 398 H HA 0.279 4.835 4.556 0.000 0.000 0.295 398 H C -0.041 175.298 175.328 0.018 0.000 1.054 398 H CA 0.235 56.239 56.048 -0.072 0.000 1.156 398 H CB -0.030 29.691 29.762 -0.067 0.000 1.468 398 H HN 0.185 nan 8.280 nan 0.000 0.551 399 T N 2.405 117.028 114.554 0.114 0.000 3.103 399 T HA 0.082 4.432 4.350 0.000 0.000 0.352 399 T C 1.186 176.073 174.700 0.312 0.000 1.048 399 T CA -0.478 61.726 62.100 0.173 0.000 1.175 399 T CB 1.233 70.172 68.868 0.118 0.000 1.029 399 T HN -0.007 nan 8.240 nan 0.000 0.498 400 L N 2.066 123.463 121.223 0.289 0.000 2.021 400 L HA -0.125 4.215 4.340 0.000 0.000 0.215 400 L C 2.650 179.611 176.870 0.153 0.000 1.074 400 L CA 2.205 57.189 54.840 0.240 0.000 0.760 400 L CB -1.342 40.796 42.059 0.132 0.000 0.889 400 L HN 0.749 nan 8.230 nan 0.000 0.433 401 A N -0.852 122.044 122.820 0.128 0.000 2.225 401 A HA -0.121 4.199 4.320 0.000 0.000 0.215 401 A C 2.227 179.873 177.584 0.104 0.000 1.164 401 A CA 1.320 53.411 52.037 0.090 0.000 0.710 401 A CB -0.562 18.482 19.000 0.073 0.000 0.780 401 A HN 0.615 nan 8.150 nan 0.000 0.473 402 S N -0.713 115.089 115.700 0.170 0.000 2.562 402 S HA 0.197 4.667 4.470 0.000 0.000 0.221 402 S C 0.830 175.530 174.600 0.167 0.000 0.975 402 S CA 0.434 58.739 58.200 0.175 0.000 0.918 402 S CB -0.670 62.659 63.200 0.215 0.000 0.772 402 S HN 0.764 nan 8.310 nan 0.000 0.531 403 L N 0.726 122.015 121.223 0.110 0.000 3.843 403 L HA -0.182 4.158 4.340 0.000 0.000 0.411 403 L C 1.671 178.562 176.870 0.035 0.000 1.205 403 L CA 0.824 55.668 54.840 0.006 0.000 0.945 403 L CB -2.538 39.531 42.059 0.016 0.000 1.929 403 L HN 0.756 nan 8.230 nan 0.000 0.934 404 W N 0.180 121.489 121.300 0.016 0.000 2.363 404 W HA -0.137 4.523 4.660 0.000 0.000 0.296 404 W C 1.757 178.289 176.519 0.022 0.000 1.212 404 W CA 1.255 58.610 57.345 0.018 0.000 1.260 404 W CB -0.762 28.700 29.460 0.003 0.000 1.131 404 W HN 0.255 nan 8.180 nan 0.000 0.530 405 K N 1.080 120.984 120.400 -0.826 0.000 2.032 405 K HA -0.188 4.132 4.320 0.000 0.000 0.209 405 K C 1.508 177.942 176.600 -0.275 0.000 1.048 405 K CA 2.433 58.258 56.287 -0.770 0.000 0.927 405 K CB -0.442 31.483 32.500 -0.958 0.000 0.712 405 K HN 0.037 nan 8.250 nan 0.000 0.441 406 D N 0.120 120.400 120.400 -0.200 0.000 2.144 406 D HA -0.116 4.524 4.640 0.000 0.000 0.199 406 D C 1.963 178.250 176.300 -0.023 0.000 0.984 406 D CA 1.116 55.062 54.000 -0.090 0.000 0.834 406 D CB 0.021 40.785 40.800 -0.060 0.000 0.955 406 D HN 0.136 nan 8.370 nan 0.000 0.465 407 R N 0.463 120.977 120.500 0.023 0.000 2.066 407 R HA 0.046 4.386 4.340 0.000 0.000 0.232 407 R C 2.317 178.665 176.300 0.080 0.000 1.131 407 R CA 1.132 57.276 56.100 0.074 0.000 0.955 407 R CB -0.354 30.024 30.300 0.130 0.000 0.851 407 R HN 0.139 nan 8.270 nan 0.000 0.432 408 A N 0.952 123.844 122.820 0.120 0.000 1.851 408 A HA -0.165 4.155 4.320 0.000 0.000 0.216 408 A C 2.384 180.011 177.584 0.071 0.000 1.195 408 A CA 1.886 54.009 52.037 0.143 0.000 0.622 408 A CB -0.923 18.224 19.000 0.245 0.000 0.831 408 A HN 0.120 nan 8.150 nan 0.000 0.444 409 V N -0.097 119.834 119.914 0.028 0.000 2.278 409 V HA -0.322 3.798 4.120 0.000 0.000 0.251 409 V C 2.699 178.781 176.094 -0.021 0.000 1.062 409 V CA 2.687 64.986 62.300 -0.002 0.000 1.038 409 V CB -1.667 30.127 31.823 -0.048 0.000 0.646 409 V HN 0.630 nan 8.190 nan 0.000 0.447 410 T N -0.619 113.924 114.554 -0.018 0.000 2.720 410 T HA -0.187 4.163 4.350 0.000 0.000 0.268 410 T C 1.893 176.561 174.700 -0.053 0.000 1.037 410 T CA 1.593 63.681 62.100 -0.019 0.000 1.144 410 T CB -0.285 68.588 68.868 0.009 0.000 0.864 410 T HN 0.499 nan 8.240 nan 0.000 0.444 411 E N 0.894 121.058 120.200 -0.060 0.000 2.072 411 E HA 0.008 4.358 4.350 0.000 0.000 0.191 411 E C 2.273 178.730 176.600 -0.238 0.000 0.985 411 E CA 0.682 57.001 56.400 -0.135 0.000 0.801 411 E CB -0.450 29.126 29.700 -0.208 0.000 0.750 411 E HN 0.528 nan 8.360 nan 0.000 0.452 412 I N 1.657 122.155 120.570 -0.121 0.000 2.208 412 I HA -0.275 3.895 4.170 0.000 0.000 0.245 412 I C 2.052 178.119 176.117 -0.083 0.000 1.097 412 I CA 0.840 62.108 61.300 -0.053 0.000 1.363 412 I CB -0.365 37.723 38.000 0.146 0.000 1.051 412 I HN 0.052 nan 8.210 nan 0.000 0.413 413 N N 0.712 119.356 118.700 -0.093 0.000 2.120 413 N HA -0.129 4.611 4.740 0.000 0.000 0.188 413 N C 1.944 177.372 175.510 -0.136 0.000 1.024 413 N CA 1.356 54.339 53.050 -0.112 0.000 0.852 413 N CB -0.323 38.103 38.487 -0.101 0.000 1.003 413 N HN 0.190 nan 8.380 nan 0.000 0.424 414 V N 1.563 121.360 119.914 -0.194 0.000 2.407 414 V HA -0.170 3.950 4.120 0.000 0.000 0.248 414 V C 2.501 178.401 176.094 -0.323 0.000 1.055 414 V CA 1.636 63.783 62.300 -0.255 0.000 1.049 414 V CB -1.103 30.508 31.823 -0.354 0.000 0.662 414 V HN 0.247 nan 8.190 nan 0.000 0.455 415 A N 0.416 122.952 122.820 -0.474 0.000 1.859 415 A HA -0.200 4.120 4.320 0.000 0.000 0.217 415 A C 2.437 179.991 177.584 -0.049 0.000 1.198 415 A CA 2.509 54.289 52.037 -0.427 0.000 0.629 415 A CB -0.963 17.584 19.000 -0.754 0.000 0.830 415 A HN 0.313 nan 8.150 nan 0.000 0.446 416 V N -0.341 119.578 119.914 0.008 0.000 2.231 416 V HA -0.298 3.822 4.120 0.000 0.000 0.248 416 V C 2.561 178.699 176.094 0.073 0.000 1.054 416 V CA 2.252 64.603 62.300 0.086 0.000 1.015 416 V CB -0.940 30.841 31.823 -0.071 0.000 0.638 416 V HN 0.506 nan 8.190 nan 0.000 0.444 417 L N -0.488 120.714 121.223 -0.035 0.000 2.043 417 L HA -0.225 4.115 4.340 0.000 0.000 0.212 417 L C 2.460 179.373 176.870 0.072 0.000 1.075 417 L CA 2.295 57.125 54.840 -0.017 0.000 0.752 417 L CB -1.132 40.910 42.059 -0.029 0.000 0.891 417 L HN 0.506 nan 8.230 nan 0.000 0.432 418 H N -0.984 118.057 119.070 -0.050 0.000 2.270 418 H HA -0.140 4.416 4.556 0.000 0.000 0.299 418 H C 2.212 177.551 175.328 0.018 0.000 1.077 418 H CA 1.735 57.754 56.048 -0.049 0.000 1.294 418 H CB 0.329 30.007 29.762 -0.141 0.000 1.371 418 H HN 0.288 nan 8.280 nan 0.000 0.491 419 S N 0.254 115.942 115.700 -0.021 0.000 2.387 419 S HA -0.154 4.316 4.470 0.000 0.000 0.230 419 S C 1.925 176.511 174.600 -0.024 0.000 1.035 419 S CA 1.417 59.587 58.200 -0.049 0.000 1.014 419 S CB -0.436 62.822 63.200 0.096 0.000 0.836 419 S HN 0.299 nan 8.310 nan 0.000 0.466 420 F N 1.689 121.581 119.950 -0.097 0.000 2.128 420 F HA -0.022 4.505 4.527 0.000 0.000 0.295 420 F C 2.638 178.380 175.800 -0.096 0.000 1.100 420 F CA 0.925 58.879 58.000 -0.076 0.000 1.260 420 F CB -0.634 38.334 39.000 -0.054 0.000 1.009 420 F HN 0.172 nan 8.300 nan 0.000 0.476 421 Q N 0.017 119.867 119.800 0.083 0.000 2.084 421 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 421 Q C 2.212 178.167 176.000 -0.075 0.000 0.978 421 Q CA 1.775 57.576 55.803 -0.004 0.000 0.844 421 Q CB -0.275 28.458 28.738 -0.009 0.000 0.898 421 Q HN 0.330 nan 8.270 nan 0.000 0.426 422 K N 0.962 121.261 120.400 -0.169 0.000 2.032 422 K HA -0.183 4.137 4.320 0.000 0.000 0.209 422 K C 1.378 177.897 176.600 -0.136 0.000 1.048 422 K CA 1.416 57.582 56.287 -0.202 0.000 0.927 422 K CB 0.120 32.400 32.500 -0.368 0.000 0.712 422 K HN 0.178 nan 8.250 nan 0.000 0.441 423 Q N 0.879 120.594 119.800 -0.141 0.000 2.253 423 Q HA 0.084 4.424 4.340 0.000 0.000 0.210 423 Q C -0.737 175.198 176.000 -0.109 0.000 0.907 423 Q CA -0.214 55.512 55.803 -0.129 0.000 0.948 423 Q CB 0.128 28.765 28.738 -0.167 0.000 1.033 423 Q HN 0.305 nan 8.270 nan 0.000 0.471 424 N N 0.294 118.945 118.700 -0.082 0.000 2.699 424 N HA -0.158 4.582 4.740 0.000 0.000 0.256 424 N C -1.279 174.199 175.510 -0.054 0.000 0.993 424 N CA 0.608 53.621 53.050 -0.060 0.000 0.759 424 N CB -1.029 37.423 38.487 -0.058 0.000 0.906 424 N HN 0.057 nan 8.380 nan 0.000 0.541 425 V N 1.080 120.974 119.914 -0.033 0.000 2.350 425 V HA 0.165 4.285 4.120 0.000 0.000 0.285 425 V C 0.729 176.924 176.094 0.167 0.000 1.014 425 V CA -0.689 61.620 62.300 0.014 0.000 0.831 425 V CB 1.853 33.584 31.823 -0.154 0.000 1.000 425 V HN 0.206 nan 8.190 nan 0.000 0.433 426 T N 6.703 121.293 114.554 0.059 0.000 2.819 426 T HA 0.228 4.578 4.350 0.000 0.000 0.282 426 T C -0.217 174.516 174.700 0.055 0.000 1.013 426 T CA 1.236 63.300 62.100 -0.060 0.000 1.159 426 T CB -0.086 68.625 68.868 -0.261 0.000 1.007 426 T HN 0.574 nan 8.240 nan 0.000 0.514 427 I N 2.591 123.122 120.570 -0.066 0.000 2.947 427 I HA 0.590 4.760 4.170 0.000 0.000 0.301 427 I C -1.525 174.551 176.117 -0.069 0.000 1.453 427 I CA -1.128 60.138 61.300 -0.056 0.000 0.984 427 I CB 2.146 40.009 38.000 -0.229 0.000 1.333 427 I HN 0.635 nan 8.210 nan 0.000 0.475 428 M N 5.722 125.336 119.600 0.023 0.000 2.393 428 M HA 0.379 4.859 4.480 0.000 0.000 0.299 428 M C -1.654 174.680 176.300 0.058 0.000 1.103 428 M CA -0.648 54.690 55.300 0.063 0.000 0.910 428 M CB 1.831 34.545 32.600 0.189 0.000 1.659 428 M HN 0.579 nan 8.290 nan 0.000 0.445 429 D N 3.169 123.609 120.400 0.066 0.000 2.313 429 D HA 0.052 4.692 4.640 0.000 0.000 0.247 429 D C 0.704 177.082 176.300 0.130 0.000 1.094 429 D CA -0.182 53.891 54.000 0.122 0.000 0.925 429 D CB 0.621 41.497 40.800 0.128 0.000 1.188 429 D HN 0.848 nan 8.370 nan 0.000 0.430 430 H N 1.060 120.062 119.070 -0.114 0.000 2.457 430 H HA -0.176 4.380 4.556 0.000 0.000 0.297 430 H C 1.269 176.474 175.328 -0.206 0.000 1.092 430 H CA 1.382 57.315 56.048 -0.191 0.000 1.309 430 H CB -0.800 28.788 29.762 -0.290 0.000 1.382 430 H HN 0.546 nan 8.280 nan 0.000 0.535 431 H N 0.769 119.635 119.070 -0.340 0.000 2.299 431 H HA -0.031 4.525 4.556 0.000 0.000 0.302 431 H C 2.004 177.290 175.328 -0.071 0.000 1.078 431 H CA 1.927 57.835 56.048 -0.234 0.000 1.323 431 H CB -0.400 29.202 29.762 -0.267 0.000 1.381 431 H HN 0.385 nan 8.280 nan 0.000 0.498 432 T N 1.278 115.883 114.554 0.085 0.000 2.803 432 T HA -0.110 4.240 4.350 0.000 0.000 0.269 432 T C 2.270 177.026 174.700 0.093 0.000 1.052 432 T CA 1.097 63.244 62.100 0.079 0.000 1.136 432 T CB -0.342 68.568 68.868 0.070 0.000 0.864 432 T HN 0.436 nan 8.240 nan 0.000 0.467 433 A N 1.197 124.069 122.820 0.087 0.000 1.898 433 A HA -0.055 4.265 4.320 0.000 0.000 0.216 433 A C 2.625 180.279 177.584 0.117 0.000 1.181 433 A CA 1.790 53.892 52.037 0.107 0.000 0.620 433 A CB -0.791 18.260 19.000 0.085 0.000 0.819 433 A HN 0.436 nan 8.150 nan 0.000 0.442 434 S N -0.168 115.578 115.700 0.076 0.000 2.368 434 S HA -0.146 4.324 4.470 0.000 0.000 0.224 434 S C 1.810 176.509 174.600 0.165 0.000 1.029 434 S CA 1.406 59.672 58.200 0.109 0.000 0.988 434 S CB -0.325 62.900 63.200 0.042 0.000 0.838 434 S HN 0.682 nan 8.310 nan 0.000 0.462 435 E N 1.262 121.535 120.200 0.121 0.000 2.153 435 E HA -0.117 4.233 4.350 0.000 0.000 0.194 435 E C 2.298 178.967 176.600 0.115 0.000 0.988 435 E CA 1.393 57.858 56.400 0.109 0.000 0.811 435 E CB -0.181 29.567 29.700 0.082 0.000 0.746 435 E HN 0.638 nan 8.360 nan 0.000 0.466 436 S N 0.313 116.096 115.700 0.140 0.000 2.436 436 S HA -0.097 4.373 4.470 0.000 0.000 0.228 436 S C 1.823 176.533 174.600 0.183 0.000 1.014 436 S CA 0.161 58.445 58.200 0.141 0.000 0.950 436 S CB -0.320 62.967 63.200 0.145 0.000 0.784 436 S HN 0.265 nan 8.310 nan 0.000 0.504 437 F N 2.582 122.582 119.950 0.083 0.000 2.163 437 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 437 F C 2.296 178.169 175.800 0.123 0.000 1.094 437 F CA 1.143 59.211 58.000 0.113 0.000 1.290 437 F CB -0.360 38.684 39.000 0.073 0.000 1.017 437 F HN 0.051 nan 8.300 nan 0.000 0.483 438 M N 0.269 119.895 119.600 0.044 0.000 2.108 438 M HA -0.219 4.261 4.480 0.000 0.000 0.261 438 M C 2.218 178.450 176.300 -0.113 0.000 1.066 438 M CA 1.704 56.967 55.300 -0.061 0.000 1.107 438 M CB -1.180 31.450 32.600 0.050 0.000 1.356 438 M HN 0.112 nan 8.290 nan 0.000 0.406 439 K N -0.148 120.234 120.400 -0.031 0.000 2.057 439 K HA -0.214 4.106 4.320 0.000 0.000 0.207 439 K C 1.941 178.514 176.600 -0.044 0.000 1.049 439 K CA 1.827 58.104 56.287 -0.018 0.000 0.931 439 K CB -0.615 31.904 32.500 0.032 0.000 0.714 439 K HN 0.358 nan 8.250 nan 0.000 0.440 440 H N -0.100 118.876 119.070 -0.156 0.000 2.319 440 H HA -0.071 4.485 4.556 0.000 0.000 0.299 440 H C 1.989 177.169 175.328 -0.247 0.000 1.092 440 H CA 2.493 58.432 56.048 -0.181 0.000 1.302 440 H CB -0.243 29.392 29.762 -0.211 0.000 1.373 440 H HN 0.259 nan 8.280 nan 0.000 0.497 441 M N -0.053 119.183 119.600 -0.608 0.000 2.108 441 M HA -0.263 4.217 4.480 0.000 0.000 0.261 441 M C 2.243 178.413 176.300 -0.218 0.000 1.066 441 M CA 2.132 57.137 55.300 -0.491 0.000 1.107 441 M CB -0.030 32.288 32.600 -0.469 0.000 1.356 441 M HN 0.459 nan 8.290 nan 0.000 0.406 442 Q N -0.262 119.423 119.800 -0.192 0.000 2.084 442 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 442 Q C 1.718 177.681 176.000 -0.062 0.000 0.978 442 Q CA 1.564 57.307 55.803 -0.099 0.000 0.844 442 Q CB -0.229 28.460 28.738 -0.082 0.000 0.898 442 Q HN 0.581 nan 8.270 nan 0.000 0.426 443 N N 0.568 119.209 118.700 -0.099 0.000 2.142 443 N HA -0.171 4.569 4.740 0.000 0.000 0.186 443 N C 1.663 177.105 175.510 -0.113 0.000 1.023 443 N CA 1.162 54.174 53.050 -0.063 0.000 0.852 443 N CB -0.134 38.353 38.487 -0.001 0.000 0.998 443 N HN 0.217 nan 8.380 nan 0.000 0.424 444 E N 0.241 120.286 120.200 -0.258 0.000 2.051 444 E HA -0.117 4.233 4.350 0.000 0.000 0.192 444 E C 1.644 178.136 176.600 -0.181 0.000 0.991 444 E CA 1.093 57.308 56.400 -0.309 0.000 0.799 444 E CB -0.214 29.161 29.700 -0.541 0.000 0.748 444 E HN 0.342 nan 8.360 nan 0.000 0.449 445 Y N 0.246 120.425 120.300 -0.202 0.000 2.163 445 Y HA -0.062 4.488 4.550 -0.000 0.000 0.288 445 Y C 2.551 178.396 175.900 -0.092 0.000 1.136 445 Y CA 1.798 59.824 58.100 -0.122 0.000 1.147 445 Y CB -0.249 38.149 38.460 -0.102 0.000 0.987 445 Y HN -0.009 nan 8.280 nan 0.000 0.509 446 R N 0.041 120.578 120.500 0.061 0.000 2.096 446 R HA -0.155 4.185 4.340 0.000 0.000 0.235 446 R C 2.188 178.475 176.300 -0.021 0.000 1.127 446 R CA 1.142 57.252 56.100 0.018 0.000 0.968 446 R CB -0.336 29.969 30.300 0.009 0.000 0.861 446 R HN 0.330 nan 8.270 nan 0.000 0.440 447 A N 1.734 124.524 122.820 -0.050 0.000 1.823 447 A HA -0.155 4.165 4.320 0.000 0.000 0.214 447 A C 1.926 179.456 177.584 -0.090 0.000 1.225 447 A CA 1.547 53.545 52.037 -0.066 0.000 0.604 447 A CB -0.406 18.545 19.000 -0.081 0.000 0.878 447 A HN 0.516 nan 8.150 nan 0.000 0.450 448 R N -1.151 119.264 120.500 -0.142 0.000 2.334 448 R HA 0.371 4.711 4.340 0.000 0.000 0.216 448 R C 0.882 177.079 176.300 -0.172 0.000 0.905 448 R CA 0.671 56.683 56.100 -0.147 0.000 1.064 448 R CB -0.254 29.947 30.300 -0.165 0.000 1.046 448 R HN 1.042 nan 8.270 nan 0.000 0.508 449 G N 0.063 108.742 108.800 -0.203 0.000 2.182 449 G HA2 -0.111 3.849 3.960 0.000 0.000 0.248 449 G HA3 -0.111 3.849 3.960 0.000 0.000 0.248 449 G C 0.165 174.764 174.900 -0.502 0.000 1.042 449 G CA -0.038 44.916 45.100 -0.243 0.000 0.775 449 G HN 0.897 nan 8.290 nan 0.000 0.501 450 G N -2.474 105.822 108.800 -0.840 0.000 2.325 450 G HA2 0.573 4.533 3.960 0.000 0.000 0.297 450 G HA3 0.573 4.533 3.960 0.000 0.000 0.297 450 G C -0.891 173.592 174.900 -0.695 0.000 1.448 450 G CA 0.292 44.737 45.100 -1.092 0.000 0.838 450 G HN 1.883 nan 8.290 nan 0.000 0.579 451 C N 2.279 121.374 119.300 -0.342 0.000 3.044 451 C HA 0.610 5.070 4.460 0.000 0.000 0.382 451 C C -2.554 172.392 174.990 -0.073 0.000 1.071 451 C CA -1.184 57.770 59.018 -0.107 0.000 1.296 451 C CB 0.971 28.706 27.740 -0.008 0.000 1.730 451 C HN 0.680 nan 8.230 nan 0.000 0.513 452 P HA 0.307 nan 4.420 nan 0.000 0.261 452 P C -0.477 176.729 177.300 -0.157 0.000 1.203 452 P CA 0.832 63.559 63.100 -0.622 0.000 0.767 452 P CB 0.654 31.946 31.700 -0.680 0.000 0.785 453 A N 3.150 125.943 122.820 -0.045 0.000 2.359 453 A HA 0.374 4.694 4.320 0.000 0.000 0.303 453 A C -0.644 177.007 177.584 0.112 0.000 1.066 453 A CA -0.566 51.540 52.037 0.115 0.000 0.730 453 A CB 1.103 20.274 19.000 0.285 0.000 1.211 453 A HN 0.427 nan 8.150 nan 0.000 0.439 454 D N 2.530 122.987 120.400 0.096 0.000 2.485 454 D HA 0.090 4.730 4.640 0.000 0.000 0.221 454 D C 0.882 177.320 176.300 0.230 0.000 1.112 454 D CA -0.553 53.537 54.000 0.150 0.000 0.911 454 D CB 0.183 41.028 40.800 0.075 0.000 1.019 454 D HN 0.639 nan 8.370 nan 0.000 0.516 455 W N 4.631 125.970 121.300 0.065 0.000 2.290 455 W HA -0.292 4.368 4.660 0.000 0.000 0.318 455 W C 1.802 178.355 176.519 0.056 0.000 1.248 455 W CA 1.460 58.827 57.345 0.036 0.000 1.263 455 W CB -0.121 29.336 29.460 -0.004 0.000 1.147 455 W HN 0.440 nan 8.180 nan 0.000 0.494 456 I N -1.019 119.856 120.570 0.509 0.000 2.248 456 I HA -0.341 3.829 4.170 0.000 0.000 0.248 456 I C 1.867 178.053 176.117 0.114 0.000 1.107 456 I CA 1.803 63.330 61.300 0.378 0.000 1.373 456 I CB -0.820 37.436 38.000 0.427 0.000 1.055 456 I HN 0.158 nan 8.210 nan 0.000 0.418 457 W N 0.423 121.689 121.300 -0.055 0.000 2.525 457 W HA 0.092 4.752 4.660 -0.000 0.000 0.288 457 W C 2.364 178.753 176.519 -0.217 0.000 1.200 457 W CA 0.214 57.491 57.345 -0.114 0.000 1.349 457 W CB -0.710 28.707 29.460 -0.072 0.000 1.102 457 W HN -0.064 nan 8.180 nan 0.000 0.558 458 L N 0.036 121.211 121.223 -0.080 0.000 2.191 458 L HA -0.094 4.246 4.340 0.000 0.000 0.212 458 L C 0.622 177.265 176.870 -0.378 0.000 1.103 458 L CA 0.433 55.094 54.840 -0.298 0.000 0.769 458 L CB -1.017 40.801 42.059 -0.401 0.000 0.908 458 L HN -0.362 nan 8.230 nan 0.000 0.438 459 V N 0.743 120.352 119.914 -0.509 0.000 2.488 459 V HA 0.163 4.283 4.120 0.000 0.000 0.277 459 V C -1.887 174.003 176.094 -0.339 0.000 1.046 459 V CA -1.495 60.492 62.300 -0.521 0.000 0.986 459 V CB 0.569 31.832 31.823 -0.933 0.000 0.989 459 V HN 0.009 nan 8.190 nan 0.000 0.475 460 P HA 0.084 nan 4.420 nan 0.000 0.267 460 P C -1.762 175.420 177.300 -0.195 0.000 1.200 460 P CA -0.915 62.067 63.100 -0.197 0.000 0.772 460 P CB 0.082 31.720 31.700 -0.104 0.000 0.855 461 P HA -0.060 nan 4.420 nan 0.000 0.236 461 P C -0.099 177.111 177.300 -0.149 0.000 1.172 461 P CA 1.018 64.006 63.100 -0.187 0.000 0.759 461 P CB 0.100 31.673 31.700 -0.211 0.000 0.843 462 V N -6.745 113.077 119.914 -0.155 0.000 3.087 462 V HA 0.548 4.668 4.120 0.000 0.000 0.306 462 V C 0.166 176.240 176.094 -0.033 0.000 1.187 462 V CA -0.939 61.299 62.300 -0.104 0.000 0.999 462 V CB 1.399 33.142 31.823 -0.134 0.000 1.049 462 V HN -0.128 nan 8.190 nan 0.000 0.431 463 S N 1.232 116.931 115.700 -0.003 0.000 3.682 463 S HA -0.180 4.290 4.470 0.000 0.000 0.354 463 S C 1.528 176.097 174.600 -0.052 0.000 1.034 463 S CA 1.208 59.421 58.200 0.021 0.000 1.084 463 S CB -1.521 61.767 63.200 0.148 0.000 0.903 463 S HN 2.071 nan 8.310 nan 0.000 0.470 464 G N 2.445 111.187 108.800 -0.097 0.000 2.679 464 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 464 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 464 G C 1.438 176.129 174.900 -0.349 0.000 1.267 464 G CA 1.493 46.520 45.100 -0.121 0.000 0.799 464 G HN 1.309 nan 8.290 nan 0.000 0.606 465 S N 0.157 115.357 115.700 -0.834 0.000 2.603 465 S HA 0.095 4.565 4.470 0.000 0.000 0.229 465 S C 1.866 176.327 174.600 -0.232 0.000 0.972 465 S CA 0.454 58.052 58.200 -1.003 0.000 0.935 465 S CB -0.020 62.515 63.200 -1.108 0.000 0.769 465 S HN 0.198 nan 8.310 nan 0.000 0.536 466 I N 1.581 122.082 120.570 -0.114 0.000 3.578 466 I HA 0.151 4.321 4.170 0.000 0.000 0.295 466 I C 0.694 176.871 176.117 0.100 0.000 1.280 466 I CA 0.437 61.759 61.300 0.038 0.000 1.347 466 I CB -1.512 36.538 38.000 0.085 0.000 1.051 466 I HN 0.239 nan 8.210 nan 0.000 0.460 467 T N 2.203 116.774 114.554 0.029 0.000 2.859 467 T HA 0.275 4.625 4.350 0.000 0.000 0.281 467 T C -1.563 173.192 174.700 0.092 0.000 1.005 467 T CA -1.088 61.039 62.100 0.045 0.000 1.025 467 T CB 2.556 71.395 68.868 -0.049 0.000 0.977 467 T HN -0.117 nan 8.240 nan 0.000 0.458 468 P HA -0.103 nan 4.420 nan 0.000 0.216 468 P C 1.648 179.065 177.300 0.195 0.000 1.153 468 P CA 0.707 63.931 63.100 0.206 0.000 0.848 468 P CB -0.110 31.685 31.700 0.158 0.000 0.787 469 V N -3.796 116.199 119.914 0.135 0.000 3.026 469 V HA -0.181 3.939 4.120 0.000 0.000 0.265 469 V C 1.954 178.094 176.094 0.077 0.000 1.121 469 V CA 1.274 63.645 62.300 0.118 0.000 1.142 469 V CB -1.912 29.943 31.823 0.053 0.000 0.730 469 V HN -0.040 nan 8.190 nan 0.000 0.503 470 F N 2.330 122.200 119.950 -0.134 0.000 2.206 470 F HA 0.051 4.578 4.527 0.000 0.000 0.298 470 F C 1.957 177.843 175.800 0.143 0.000 1.090 470 F CA 1.790 59.752 58.000 -0.063 0.000 1.323 470 F CB -0.254 38.560 39.000 -0.310 0.000 1.028 470 F HN 0.342 nan 8.300 nan 0.000 0.492 471 H N -1.039 118.341 119.070 0.517 0.000 2.567 471 H HA 0.220 4.776 4.556 0.000 0.000 0.294 471 H C -0.241 175.217 175.328 0.217 0.000 1.050 471 H CA -0.209 56.044 56.048 0.342 0.000 1.168 471 H CB -0.093 29.840 29.762 0.285 0.000 1.422 471 H HN 0.103 nan 8.280 nan 0.000 0.562 472 Q N 1.759 121.744 119.800 0.308 0.000 2.333 472 Q HA 0.201 4.541 4.340 0.000 0.000 0.268 472 Q C -0.923 175.211 176.000 0.224 0.000 1.007 472 Q CA -0.636 55.303 55.803 0.227 0.000 0.810 472 Q CB 0.924 29.790 28.738 0.213 0.000 1.264 472 Q HN 0.345 nan 8.270 nan 0.000 0.452 473 E N 3.721 123.987 120.200 0.110 0.000 2.338 473 E HA 0.332 4.682 4.350 0.000 0.000 0.272 473 E C -0.539 176.128 176.600 0.112 0.000 1.029 473 E CA 0.139 56.577 56.400 0.062 0.000 0.872 473 E CB 0.913 30.617 29.700 0.007 0.000 1.015 473 E HN 0.592 nan 8.360 nan 0.000 0.417 474 M N 2.169 121.855 119.600 0.143 0.000 2.658 474 M HA 0.413 4.893 4.480 0.000 0.000 0.295 474 M C -1.310 175.093 176.300 0.171 0.000 1.248 474 M CA -1.034 54.381 55.300 0.193 0.000 0.843 474 M CB 1.548 34.306 32.600 0.264 0.000 1.749 474 M HN 0.214 nan 8.290 nan 0.000 0.464 475 L N 2.008 123.365 121.223 0.222 0.000 2.343 475 L HA 0.469 4.809 4.340 0.000 0.000 0.278 475 L C -0.786 176.205 176.870 0.202 0.000 0.996 475 L CA -0.227 54.772 54.840 0.265 0.000 0.831 475 L CB 1.366 43.669 42.059 0.408 0.000 1.232 475 L HN 0.538 nan 8.230 nan 0.000 0.413 476 N N 3.788 122.587 118.700 0.165 0.000 2.426 476 N HA 0.483 5.223 4.740 0.000 0.000 0.257 476 N C -1.605 173.983 175.510 0.130 0.000 1.002 476 N CA -0.105 52.974 53.050 0.049 0.000 0.942 476 N CB 0.473 39.005 38.487 0.075 0.000 1.112 476 N HN 0.405 nan 8.380 nan 0.000 0.499 477 Y N -0.127 120.190 120.300 0.028 0.000 2.552 477 Y HA 0.494 5.044 4.550 0.000 0.000 0.337 477 Y C -1.141 174.716 175.900 -0.071 0.000 1.094 477 Y CA -1.339 56.746 58.100 -0.025 0.000 1.028 477 Y CB 0.404 38.847 38.460 -0.028 0.000 1.321 477 Y HN -0.018 nan 8.280 nan 0.000 0.456 478 V N 5.066 124.948 119.914 -0.054 0.000 2.389 478 V HA 0.281 4.401 4.120 0.000 0.000 0.264 478 V C 0.296 176.252 176.094 -0.230 0.000 1.049 478 V CA -0.129 61.896 62.300 -0.457 0.000 0.932 478 V CB 0.056 31.464 31.823 -0.692 0.000 1.011 478 V HN 0.776 nan 8.190 nan 0.000 0.475 479 L N 3.198 124.345 121.223 -0.127 0.000 2.793 479 L HA 0.747 5.087 4.340 0.000 0.000 0.242 479 L C 0.299 177.190 176.870 0.035 0.000 1.315 479 L CA -0.503 54.356 54.840 0.032 0.000 1.263 479 L CB 1.398 43.532 42.059 0.126 0.000 2.076 479 L HN 0.596 nan 8.230 nan 0.000 0.575 480 S N -0.372 115.386 115.700 0.096 0.000 2.535 480 S HA 0.485 4.955 4.470 0.000 0.000 0.272 480 S C -2.781 171.893 174.600 0.124 0.000 1.149 480 S CA -1.028 57.244 58.200 0.121 0.000 0.888 480 S CB 1.914 65.164 63.200 0.084 0.000 1.110 480 S HN 0.244 nan 8.310 nan 0.000 0.463 481 P HA 0.398 nan 4.420 nan 0.000 0.271 481 P C -1.052 176.279 177.300 0.052 0.000 1.244 481 P CA -0.167 62.954 63.100 0.036 0.000 0.793 481 P CB 0.261 31.923 31.700 -0.063 0.000 0.984 482 F N -0.432 119.396 119.950 -0.203 0.000 2.665 482 F HA 0.359 4.886 4.527 0.000 0.000 0.308 482 F C -1.466 174.149 175.800 -0.309 0.000 1.112 482 F CA -0.849 56.974 58.000 -0.294 0.000 0.972 482 F CB 1.263 40.119 39.000 -0.240 0.000 1.295 482 F HN 0.100 nan 8.300 nan 0.000 0.440 483 Y N 4.922 124.862 120.300 -0.599 0.000 2.518 483 Y HA 0.378 4.928 4.550 0.000 0.000 0.344 483 Y C -0.769 174.971 175.900 -0.266 0.000 0.982 483 Y CA -0.691 57.215 58.100 -0.324 0.000 1.234 483 Y CB -0.160 38.029 38.460 -0.452 0.000 1.114 483 Y HN 0.342 nan 8.280 nan 0.000 0.515 484 Y N 0.975 121.401 120.300 0.210 0.000 2.326 484 Y HA 0.283 4.833 4.550 -0.000 0.000 0.324 484 Y C 0.116 176.112 175.900 0.160 0.000 1.291 484 Y CA -0.968 57.304 58.100 0.287 0.000 1.348 484 Y CB 0.528 39.154 38.460 0.277 0.000 1.294 484 Y HN 0.423 nan 8.280 nan 0.000 0.525 485 Y N 0.438 120.890 120.300 0.252 0.000 2.289 485 Y HA 0.334 4.884 4.550 0.000 0.000 0.332 485 Y C 0.199 176.171 175.900 0.120 0.000 1.324 485 Y CA -0.341 57.835 58.100 0.126 0.000 1.478 485 Y CB 0.684 39.185 38.460 0.069 0.000 1.378 485 Y HN 0.439 nan 8.280 nan 0.000 0.558 486 Q N 0.201 120.134 119.800 0.222 0.000 2.553 486 Q HA 0.482 4.822 4.340 0.000 0.000 0.293 486 Q C -1.410 174.597 176.000 0.011 0.000 1.038 486 Q CA -1.093 54.765 55.803 0.091 0.000 0.777 486 Q CB 2.619 31.377 28.738 0.034 0.000 1.487 486 Q HN 0.422 nan 8.270 nan 0.000 0.426 487 I N 1.597 122.128 120.570 -0.065 0.000 2.474 487 I HA 0.077 4.247 4.170 0.000 0.000 0.287 487 I C 0.267 176.198 176.117 -0.310 0.000 1.048 487 I CA 0.026 61.236 61.300 -0.150 0.000 1.383 487 I CB 0.605 38.521 38.000 -0.139 0.000 1.412 487 I HN 0.548 nan 8.210 nan 0.000 0.531 488 E N 8.521 128.435 120.200 -0.477 0.000 2.491 488 E HA -0.034 4.316 4.350 0.000 0.000 0.250 488 E C -1.275 174.684 176.600 -1.068 0.000 1.061 488 E CA -1.143 54.677 56.400 -0.966 0.000 0.942 488 E CB 0.317 29.150 29.700 -1.445 0.000 0.957 488 E HN 0.413 nan 8.360 nan 0.000 0.480 489 P HA -0.224 nan 4.420 nan 0.000 0.219 489 P C 0.858 177.641 177.300 -0.861 0.000 1.151 489 P CA 1.643 64.202 63.100 -0.903 0.000 0.850 489 P CB -0.188 30.711 31.700 -1.335 0.000 0.784 490 W N 0.526 121.361 121.300 -0.774 0.000 2.699 490 W HA 0.177 4.837 4.660 0.000 0.000 0.249 490 W C 1.745 178.279 176.519 0.026 0.000 1.280 490 W CA 0.314 57.486 57.345 -0.289 0.000 1.345 490 W CB -1.147 28.332 29.460 0.032 0.000 1.128 490 W HN -0.100 nan 8.180 nan 0.000 0.642 491 K N 0.441 120.717 120.400 -0.207 0.000 2.211 491 K HA 0.022 4.342 4.320 0.000 0.000 0.201 491 K C 1.794 178.390 176.600 -0.007 0.000 1.052 491 K CA 1.644 57.893 56.287 -0.064 0.000 0.973 491 K CB -0.232 32.153 32.500 -0.193 0.000 0.766 491 K HN 0.237 nan 8.250 nan 0.000 0.466 492 T N -2.380 112.133 114.554 -0.068 0.000 3.092 492 T HA 0.060 4.410 4.350 0.000 0.000 0.258 492 T C 0.021 174.739 174.700 0.031 0.000 1.031 492 T CA -0.403 61.683 62.100 -0.024 0.000 0.925 492 T CB -0.236 68.590 68.868 -0.069 0.000 1.036 492 T HN 0.073 nan 8.240 nan 0.000 0.544 493 H N 1.289 120.345 119.070 -0.024 0.000 2.580 493 H HA 0.514 5.070 4.556 0.000 0.000 0.322 493 H C -0.305 175.048 175.328 0.042 0.000 1.082 493 H CA -1.109 54.930 56.048 -0.014 0.000 1.383 493 H CB 0.371 30.121 29.762 -0.019 0.000 1.450 493 H HN 0.246 nan 8.280 nan 0.000 0.505 494 I N 6.138 126.329 120.570 -0.631 0.000 2.308 494 I HA 0.008 4.178 4.170 0.000 0.000 0.293 494 I C -0.188 175.603 176.117 -0.544 0.000 1.078 494 I CA -0.279 60.795 61.300 -0.376 0.000 1.292 494 I CB 0.067 37.935 38.000 -0.221 0.000 1.423 494 I HN 0.512 nan 8.210 nan 0.000 0.493 495 W N 6.757 127.955 121.300 -0.169 0.000 2.158 495 W HA 0.208 4.868 4.660 -0.000 0.000 0.339 495 W C 0.613 177.137 176.519 0.008 0.000 1.294 495 W CA 0.093 57.447 57.345 0.016 0.000 1.231 495 W CB 0.455 29.982 29.460 0.111 0.000 1.143 495 W HN 0.458 nan 8.180 nan 0.000 0.571 496 Q N 0.000 119.983 119.800 0.306 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.914 55.803 0.185 0.000 1.022 496 Q CB 0.000 28.798 28.738 0.101 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481