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 3e7t_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP 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 0.000 176.217 176.000 0.362 0.000 1.003 77 Q CA 0.000 55.936 55.803 0.221 0.000 1.022 77 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 78 Y N -0.399 119.989 120.300 0.146 0.000 2.480 78 Y HA 0.698 5.248 4.550 0.000 0.000 0.329 78 Y C -1.405 174.508 175.900 0.021 0.000 1.127 78 Y CA -1.210 56.959 58.100 0.114 0.000 1.037 78 Y CB 1.037 39.533 38.460 0.059 0.000 1.320 78 Y HN -0.087 nan 8.280 nan 0.000 0.446 79 V N 4.779 124.793 119.914 0.166 0.000 2.546 79 V HA 0.432 4.552 4.120 0.000 0.000 0.284 79 V C 0.344 176.544 176.094 0.176 0.000 1.050 79 V CA -0.663 61.629 62.300 -0.013 0.000 0.981 79 V CB 1.132 32.792 31.823 -0.271 0.000 0.990 79 V HN 0.863 nan 8.190 nan 0.000 0.474 80 R N 3.966 124.534 120.500 0.112 0.000 2.390 80 R HA 0.578 4.918 4.340 0.000 0.000 0.291 80 R C -1.007 175.360 176.300 0.112 0.000 1.070 80 R CA -0.329 55.882 56.100 0.185 0.000 1.014 80 R CB 0.616 30.981 30.300 0.107 0.000 1.007 80 R HN 0.674 nan 8.270 nan 0.000 0.466 81 I N 4.129 124.771 120.570 0.120 0.000 2.447 81 I HA 0.253 4.423 4.170 0.000 0.000 0.287 81 I C -0.527 175.594 176.117 0.006 0.000 1.023 81 I CA -0.639 60.700 61.300 0.064 0.000 1.083 81 I CB 1.958 39.996 38.000 0.064 0.000 1.245 81 I HN 0.488 nan 8.210 nan 0.000 0.434 82 K N 6.083 126.446 120.400 -0.062 0.000 2.164 82 K HA 0.323 4.643 4.320 0.000 0.000 0.258 82 K C -0.562 175.911 176.600 -0.212 0.000 0.951 82 K CA -0.647 55.495 56.287 -0.240 0.000 0.844 82 K CB 1.326 33.474 32.500 -0.586 0.000 1.099 82 K HN 0.513 nan 8.250 nan 0.000 0.435 83 N N 4.744 123.336 118.700 -0.180 0.000 2.609 83 N HA 0.069 4.809 4.740 0.000 0.000 0.234 83 N C -0.406 175.078 175.510 -0.043 0.000 1.001 83 N CA -0.399 52.630 53.050 -0.035 0.000 0.926 83 N CB 0.345 38.833 38.487 0.002 0.000 1.130 83 N HN 0.654 nan 8.380 nan 0.000 0.510 84 W N 2.467 123.792 121.300 0.042 0.000 2.747 84 W HA 0.119 4.779 4.660 0.000 0.000 0.244 84 W C 1.889 178.428 176.519 0.034 0.000 1.270 84 W CA 0.057 57.426 57.345 0.041 0.000 1.333 84 W CB 0.000 29.484 29.460 0.040 0.000 1.139 84 W HN 0.578 nan 8.180 nan 0.000 0.662 85 G N -0.398 108.517 108.800 0.191 0.000 2.497 85 G HA2 -0.123 3.837 3.960 0.000 0.000 0.210 85 G HA3 -0.123 3.837 3.960 0.000 0.000 0.210 85 G C 1.424 176.376 174.900 0.087 0.000 1.177 85 G CA 0.867 46.045 45.100 0.129 0.000 0.822 85 G HN 0.244 nan 8.290 nan 0.000 0.550 86 S N -0.557 115.177 115.700 0.056 0.000 2.554 86 S HA 0.389 4.859 4.470 0.000 0.000 0.226 86 S C 1.790 176.396 174.600 0.009 0.000 0.980 86 S CA 0.975 59.194 58.200 0.033 0.000 0.939 86 S CB 0.317 63.530 63.200 0.022 0.000 0.832 86 S HN 1.471 nan 8.310 nan 0.000 0.486 87 G N 1.375 110.171 108.800 -0.006 0.000 2.200 87 G HA2 -0.357 3.603 3.960 0.000 0.000 0.268 87 G HA3 -0.357 3.603 3.960 0.000 0.000 0.268 87 G C -0.078 174.769 174.900 -0.089 0.000 0.986 87 G CA 0.756 45.817 45.100 -0.066 0.000 0.677 87 G HN 0.739 nan 8.290 nan 0.000 0.532 88 E N -0.423 119.739 120.200 -0.063 0.000 2.392 88 E HA 0.549 4.899 4.350 0.000 0.000 0.259 88 E C 0.610 177.161 176.600 -0.081 0.000 1.108 88 E CA -0.548 55.816 56.400 -0.060 0.000 0.916 88 E CB 0.337 30.013 29.700 -0.040 0.000 0.989 88 E HN 0.402 nan 8.360 nan 0.000 0.432 89 I N 2.720 123.250 120.570 -0.067 0.000 2.797 89 I HA 0.418 4.588 4.170 0.000 0.000 0.307 89 I C -0.528 175.545 176.117 -0.073 0.000 1.033 89 I CA -0.936 60.336 61.300 -0.046 0.000 1.071 89 I CB 1.433 39.444 38.000 0.019 0.000 1.255 89 I HN 0.368 nan 8.210 nan 0.000 0.445 90 L N 3.206 124.423 121.223 -0.010 0.000 2.445 90 L HA 0.453 4.793 4.340 0.000 0.000 0.262 90 L C -1.210 175.743 176.870 0.139 0.000 0.974 90 L CA -0.657 54.151 54.840 -0.053 0.000 0.822 90 L CB 2.440 44.484 42.059 -0.025 0.000 1.339 90 L HN 0.618 nan 8.230 nan 0.000 0.409 91 H N 1.361 120.370 119.070 -0.101 0.000 2.581 91 H HA 0.190 4.746 4.556 0.000 0.000 0.308 91 H C -1.004 174.283 175.328 -0.069 0.000 1.040 91 H CA -0.800 55.145 56.048 -0.171 0.000 1.231 91 H CB 2.103 31.405 29.762 -0.765 0.000 1.396 91 H HN 0.429 nan 8.280 nan 0.000 0.467 92 D N 2.589 123.101 120.400 0.186 0.000 2.277 92 D HA 0.058 4.698 4.640 0.000 0.000 0.249 92 D C 0.268 176.715 176.300 0.245 0.000 1.134 92 D CA 0.049 54.146 54.000 0.161 0.000 0.863 92 D CB 1.696 42.562 40.800 0.109 0.000 1.143 92 D HN 0.550 nan 8.370 nan 0.000 0.458 93 T N 3.736 118.370 114.554 0.134 0.000 3.087 93 T HA 0.037 4.387 4.350 0.000 0.000 0.237 93 T C 2.115 176.741 174.700 -0.124 0.000 0.990 93 T CA -0.153 61.954 62.100 0.012 0.000 1.160 93 T CB -0.088 68.799 68.868 0.031 0.000 0.923 93 T HN 0.332 nan 8.240 nan 0.000 0.442 94 L N 1.714 122.934 121.223 -0.006 0.000 2.085 94 L HA -0.313 4.027 4.340 0.000 0.000 0.218 94 L C 2.548 179.392 176.870 -0.045 0.000 1.080 94 L CA 2.414 57.249 54.840 -0.007 0.000 0.776 94 L CB -0.640 41.441 42.059 0.037 0.000 0.891 94 L HN 0.637 nan 8.230 nan 0.000 0.437 95 H N -2.775 116.264 119.070 -0.052 0.000 2.523 95 H HA -0.248 4.308 4.556 0.000 0.000 0.296 95 H C 1.856 177.203 175.328 0.031 0.000 1.106 95 H CA 1.997 58.028 56.048 -0.030 0.000 1.230 95 H CB -0.759 28.971 29.762 -0.054 0.000 1.359 95 H HN 0.534 nan 8.280 nan 0.000 0.552 96 H N 0.795 119.567 119.070 -0.496 0.000 2.428 96 H HA 0.048 4.604 4.556 0.000 0.000 0.296 96 H C 1.188 176.447 175.328 -0.116 0.000 1.062 96 H CA 0.770 56.627 56.048 -0.318 0.000 1.350 96 H CB 0.250 29.832 29.762 -0.300 0.000 1.403 96 H HN 0.408 nan 8.280 nan 0.000 0.533 97 K N 1.212 121.639 120.400 0.044 0.000 2.591 97 K HA 0.183 4.503 4.320 0.000 0.000 0.197 97 K C 0.467 177.089 176.600 0.038 0.000 1.026 97 K CA -0.258 56.050 56.287 0.036 0.000 1.127 97 K CB 0.462 32.978 32.500 0.028 0.000 0.871 97 K HN 0.164 nan 8.250 nan 0.000 0.507 98 A N 0.816 123.667 122.820 0.051 0.000 2.366 98 A HA 0.113 4.433 4.320 0.000 0.000 0.250 98 A C 1.049 178.658 177.584 0.043 0.000 1.099 98 A CA -0.044 52.026 52.037 0.056 0.000 0.794 98 A CB 0.358 19.407 19.000 0.081 0.000 1.056 98 A HN 0.159 nan 8.150 nan 0.000 0.499 99 T N 0.036 114.612 114.554 0.038 0.000 3.440 99 T HA 0.180 4.530 4.350 0.000 0.000 0.209 99 T C 1.280 175.997 174.700 0.029 0.000 0.906 99 T CA 0.991 63.108 62.100 0.029 0.000 1.757 99 T CB -0.359 68.523 68.868 0.023 0.000 1.568 99 T HN 0.718 nan 8.240 nan 0.000 0.454 109 C N 6.376 125.697 119.300 0.034 0.000 2.585 109 C HA 0.453 4.913 4.460 0.000 0.000 0.406 109 C C 1.271 176.283 174.990 0.037 0.000 1.312 109 C CA -0.511 58.527 59.018 0.033 0.000 1.924 109 C CB -0.741 27.016 27.740 0.028 0.000 2.578 109 C HN 0.816 nan 8.230 nan 0.000 0.580 110 L N 6.542 127.790 121.223 0.042 0.000 2.685 110 L HA 0.207 4.547 4.340 0.000 0.000 0.233 110 L C 2.105 179.020 176.870 0.076 0.000 1.173 110 L CA 0.838 55.711 54.840 0.054 0.000 0.961 110 L CB -1.508 40.580 42.059 0.048 0.000 1.217 110 L HN 1.076 nan 8.230 nan 0.000 0.478 111 G N -0.064 108.781 108.800 0.074 0.000 2.418 111 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 111 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 111 G C 1.495 176.480 174.900 0.142 0.000 1.158 111 G CA 0.968 46.125 45.100 0.096 0.000 0.771 111 G HN 0.411 nan 8.290 nan 0.000 0.545 112 S N 0.133 115.914 115.700 0.136 0.000 2.786 112 S HA 0.193 4.663 4.470 0.000 0.000 0.223 112 S C 0.531 175.252 174.600 0.201 0.000 0.956 112 S CA -0.434 57.866 58.200 0.167 0.000 0.961 112 S CB -0.470 62.811 63.200 0.134 0.000 0.784 112 S HN 0.059 nan 8.310 nan 0.000 0.519 113 I N 2.644 123.332 120.570 0.197 0.000 2.315 113 I HA 0.214 4.384 4.170 0.000 0.000 0.291 113 I C 1.390 177.664 176.117 0.262 0.000 1.006 113 I CA -0.268 61.170 61.300 0.230 0.000 1.265 113 I CB 1.005 39.110 38.000 0.175 0.000 1.387 113 I HN 0.266 nan 8.210 nan 0.000 0.475 114 M N 4.283 124.068 119.600 0.308 0.000 2.084 114 M HA -0.150 4.330 4.480 0.000 0.000 0.259 114 M C 0.434 176.867 176.300 0.221 0.000 1.072 114 M CA 1.723 57.157 55.300 0.224 0.000 1.107 114 M CB -0.327 32.186 32.600 -0.144 0.000 1.299 114 M HN 0.485 nan 8.290 nan 0.000 0.413 115 N N 1.359 120.204 118.700 0.242 0.000 2.898 115 N HA 0.318 5.058 4.740 0.000 0.000 0.245 115 N C -2.380 173.261 175.510 0.218 0.000 1.185 115 N CA -0.759 52.424 53.050 0.221 0.000 0.879 115 N CB 0.904 39.469 38.487 0.131 0.000 1.157 115 N HN 0.259 nan 8.380 nan 0.000 0.503 116 P HA 0.261 nan 4.420 nan 0.000 0.282 116 P C 0.490 177.871 177.300 0.135 0.000 1.249 116 P CA -0.388 62.795 63.100 0.138 0.000 0.806 116 P CB 2.073 33.833 31.700 0.100 0.000 0.984 117 K N 0.680 121.140 120.400 0.100 0.000 2.211 117 K HA -0.100 4.220 4.320 0.000 0.000 0.204 117 K C 1.960 178.616 176.600 0.094 0.000 1.047 117 K CA 1.858 58.199 56.287 0.090 0.000 0.935 117 K CB -0.284 32.249 32.500 0.056 0.000 0.728 117 K HN 0.544 nan 8.250 nan 0.000 0.452 118 S N 0.505 116.248 115.700 0.072 0.000 2.442 118 S HA -0.090 4.380 4.470 0.000 0.000 0.236 118 S C 1.639 176.279 174.600 0.067 0.000 1.007 118 S CA 0.781 59.012 58.200 0.052 0.000 0.965 118 S CB -0.028 63.181 63.200 0.015 0.000 0.773 118 S HN 0.087 nan 8.310 nan 0.000 0.504 119 L N 0.984 122.258 121.223 0.086 0.000 2.556 119 L HA 0.370 4.710 4.340 0.000 0.000 0.226 119 L C 0.566 177.597 176.870 0.267 0.000 1.089 119 L CA 0.721 55.594 54.840 0.056 0.000 0.864 119 L CB -0.185 41.832 42.059 -0.071 0.000 1.067 119 L HN 0.191 nan 8.230 nan 0.000 0.477 120 T N 0.049 114.779 114.554 0.293 0.000 2.882 120 T HA 0.423 4.773 4.350 0.000 0.000 0.287 120 T C -0.152 174.683 174.700 0.225 0.000 0.992 120 T CA -0.291 61.991 62.100 0.303 0.000 1.076 120 T CB 1.592 70.580 68.868 0.201 0.000 0.961 120 T HN -0.116 nan 8.240 nan 0.000 0.490 121 R N 1.749 122.344 120.500 0.158 0.000 2.412 121 R HA 0.551 4.891 4.340 0.000 0.000 0.304 121 R C 0.367 176.657 176.300 -0.016 0.000 1.066 121 R CA -0.393 55.677 56.100 -0.049 0.000 0.923 121 R CB 0.252 30.386 30.300 -0.276 0.000 1.156 121 R HN 0.796 nan 8.270 nan 0.000 0.513 122 G N 3.241 112.025 108.800 -0.027 0.000 2.516 122 G HA2 0.328 4.288 3.960 0.000 0.000 0.276 122 G HA3 0.328 4.288 3.960 0.000 0.000 0.276 122 G C -1.942 172.936 174.900 -0.037 0.000 1.390 122 G CA -1.007 44.076 45.100 -0.030 0.000 1.050 122 G HN 0.492 nan 8.290 nan 0.000 0.519 123 P HA 0.438 nan 4.420 nan 0.000 0.280 123 P C -0.226 177.056 177.300 -0.031 0.000 1.278 123 P CA -0.174 62.906 63.100 -0.033 0.000 0.787 123 P CB 0.491 32.170 31.700 -0.034 0.000 1.163 124 R N -0.584 119.898 120.500 -0.030 0.000 2.831 124 R HA 0.482 4.822 4.340 0.000 0.000 0.266 124 R C -0.319 175.960 176.300 -0.035 0.000 1.051 124 R CA -0.292 55.790 56.100 -0.030 0.000 0.943 124 R CB 0.929 31.213 30.300 -0.027 0.000 1.228 124 R HN 0.276 nan 8.270 nan 0.000 0.467 125 D N -0.824 119.555 120.400 -0.034 0.000 2.186 125 D HA 0.224 4.864 4.640 0.000 0.000 0.316 125 D C -0.815 175.464 176.300 -0.035 0.000 1.071 125 D CA 0.517 54.493 54.000 -0.040 0.000 0.869 125 D CB 0.865 41.646 40.800 -0.032 0.000 1.623 125 D HN 0.276 nan 8.370 nan 0.000 0.531 126 K N 0.559 120.945 120.400 -0.023 0.000 2.443 126 K HA 0.556 4.876 4.320 0.000 0.000 0.251 126 K C -2.732 173.863 176.600 -0.007 0.000 0.972 126 K CA -1.726 54.553 56.287 -0.013 0.000 0.833 126 K CB 2.329 34.823 32.500 -0.010 0.000 1.317 126 K HN -0.251 nan 8.250 nan 0.000 0.441 127 P HA -0.030 nan 4.420 nan 0.000 0.273 127 P C -0.638 176.664 177.300 0.004 0.000 1.258 127 P CA -0.148 62.956 63.100 0.007 0.000 0.802 127 P CB 0.255 31.965 31.700 0.017 0.000 1.040 128 T N 2.026 116.586 114.554 0.009 0.000 2.738 128 T HA 0.213 4.563 4.350 0.000 0.000 0.294 128 T C -2.204 172.500 174.700 0.006 0.000 0.914 128 T CA -0.939 61.168 62.100 0.011 0.000 1.052 128 T CB -0.632 68.252 68.868 0.027 0.000 0.897 128 T HN 0.262 nan 8.240 nan 0.000 0.522 129 P HA -0.045 nan 4.420 nan 0.000 0.255 129 P C 1.225 178.512 177.300 -0.022 0.000 1.151 129 P CA -0.061 63.031 63.100 -0.013 0.000 0.767 129 P CB 0.284 31.973 31.700 -0.019 0.000 0.736 130 L N 4.011 125.224 121.223 -0.017 0.000 2.064 130 L HA -0.247 4.093 4.340 0.000 0.000 0.216 130 L C 2.351 179.193 176.870 -0.047 0.000 1.077 130 L CA 2.230 57.056 54.840 -0.024 0.000 0.766 130 L CB -1.221 40.826 42.059 -0.019 0.000 0.890 130 L HN 0.539 nan 8.230 nan 0.000 0.435 131 E N 0.259 120.430 120.200 -0.049 0.000 2.160 131 E HA -0.243 4.107 4.350 0.000 0.000 0.195 131 E C 1.601 178.137 176.600 -0.107 0.000 0.991 131 E CA 1.499 57.861 56.400 -0.064 0.000 0.810 131 E CB -0.302 29.368 29.700 -0.051 0.000 0.742 131 E HN 0.646 nan 8.360 nan 0.000 0.466 132 E N 0.988 121.114 120.200 -0.124 0.000 2.057 132 E HA 0.059 4.409 4.350 0.000 0.000 0.190 132 E C 2.447 178.866 176.600 -0.302 0.000 0.969 132 E CA 0.305 56.562 56.400 -0.239 0.000 0.812 132 E CB -0.181 29.425 29.700 -0.156 0.000 0.777 132 E HN 0.128 nan 8.360 nan 0.000 0.455 133 L N 1.381 122.537 121.223 -0.111 0.000 1.990 133 L HA -0.226 4.114 4.340 0.000 0.000 0.213 133 L C 2.527 179.376 176.870 -0.034 0.000 1.072 133 L CA 0.970 55.803 54.840 -0.011 0.000 0.755 133 L CB -0.202 41.881 42.059 0.041 0.000 0.889 133 L HN 0.176 nan 8.230 nan 0.000 0.432 134 L N 0.425 121.604 121.223 -0.074 0.000 1.997 134 L HA -0.168 4.172 4.340 0.000 0.000 0.216 134 L C -0.543 176.295 176.870 -0.054 0.000 1.074 134 L CA 2.327 57.118 54.840 -0.082 0.000 0.763 134 L CB -1.799 40.216 42.059 -0.073 0.000 0.890 134 L HN 0.145 nan 8.230 nan 0.000 0.434 135 P HA -0.140 nan 4.420 nan 0.000 0.214 135 P C 1.321 178.679 177.300 0.097 0.000 1.163 135 P CA 1.628 64.713 63.100 -0.025 0.000 0.883 135 P CB -0.233 31.411 31.700 -0.093 0.000 0.788 136 H N -0.188 118.919 119.070 0.062 0.000 2.319 136 H HA -0.098 4.458 4.556 0.000 0.000 0.297 136 H C 2.007 177.433 175.328 0.164 0.000 1.097 136 H CA 1.599 57.712 56.048 0.108 0.000 1.285 136 H CB -1.320 28.501 29.762 0.099 0.000 1.368 136 H HN 0.042 nan 8.280 nan 0.000 0.495 137 A N 1.426 124.395 122.820 0.249 0.000 1.908 137 A HA -0.158 4.162 4.320 0.000 0.000 0.218 137 A C 2.457 180.152 177.584 0.185 0.000 1.181 137 A CA 1.782 53.925 52.037 0.176 0.000 0.627 137 A CB -0.557 18.298 19.000 -0.242 0.000 0.818 137 A HN 0.269 nan 8.150 nan 0.000 0.445 138 I N -0.081 120.557 120.570 0.113 0.000 2.252 138 I HA -0.209 3.961 4.170 0.000 0.000 0.245 138 I C 2.277 178.498 176.117 0.173 0.000 1.102 138 I CA 1.532 62.901 61.300 0.115 0.000 1.385 138 I CB -1.898 36.142 38.000 0.065 0.000 1.064 138 I HN 0.458 nan 8.210 nan 0.000 0.414 139 E N 0.670 120.987 120.200 0.195 0.000 2.058 139 E HA -0.271 4.079 4.350 0.000 0.000 0.194 139 E C 2.169 178.907 176.600 0.229 0.000 0.997 139 E CA 1.560 58.080 56.400 0.199 0.000 0.801 139 E CB -0.372 29.457 29.700 0.214 0.000 0.746 139 E HN 0.400 nan 8.360 nan 0.000 0.450 140 F N 1.439 121.498 119.950 0.183 0.000 2.134 140 F HA -0.155 4.372 4.527 0.000 0.000 0.299 140 F C 1.957 177.887 175.800 0.217 0.000 1.097 140 F CA 1.280 59.407 58.000 0.212 0.000 1.264 140 F CB -0.119 39.024 39.000 0.238 0.000 1.001 140 F HN -0.084 nan 8.300 nan 0.000 0.479 141 I N 0.282 120.882 120.570 0.050 0.000 2.614 141 I HA -0.266 3.904 4.170 0.000 0.000 0.258 141 I C 1.859 178.006 176.117 0.050 0.000 1.189 141 I CA 0.781 62.096 61.300 0.026 0.000 1.462 141 I CB -0.598 37.543 38.000 0.235 0.000 1.092 141 I HN 0.236 nan 8.210 nan 0.000 0.442 142 N N 0.491 119.235 118.700 0.074 0.000 2.290 142 N HA -0.156 4.584 4.740 0.000 0.000 0.179 142 N C 1.832 177.301 175.510 -0.068 0.000 1.016 142 N CA 0.799 53.899 53.050 0.083 0.000 0.871 142 N CB -0.053 38.536 38.487 0.171 0.000 0.987 142 N HN 0.471 nan 8.380 nan 0.000 0.431 143 Q N 0.175 119.927 119.800 -0.080 0.000 2.020 143 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 143 Q C 2.069 177.862 176.000 -0.345 0.000 0.982 143 Q CA 1.359 57.111 55.803 -0.085 0.000 0.838 143 Q CB -0.292 28.489 28.738 0.071 0.000 0.899 143 Q HN 0.389 nan 8.270 nan 0.000 0.423 144 Y N -0.113 119.711 120.300 -0.793 0.000 2.053 144 Y HA -0.333 4.217 4.550 0.000 0.000 0.277 144 Y C 1.779 177.129 175.900 -0.916 0.000 1.159 144 Y CA 2.260 59.590 58.100 -1.282 0.000 1.125 144 Y CB -0.496 37.198 38.460 -1.277 0.000 0.969 144 Y HN 0.230 nan 8.280 nan 0.000 0.492 145 Y N -0.251 119.685 120.300 -0.606 0.000 2.373 145 Y HA 0.030 4.580 4.550 0.000 0.000 0.293 145 Y C 2.363 177.985 175.900 -0.462 0.000 1.129 145 Y CA 1.161 58.897 58.100 -0.608 0.000 1.226 145 Y CB -0.645 37.308 38.460 -0.846 0.000 1.000 145 Y HN 0.215 nan 8.280 nan 0.000 0.549 146 G N -1.708 106.937 108.800 -0.257 0.000 3.424 146 G HA2 0.068 4.028 3.960 0.000 0.000 0.263 146 G HA3 0.068 4.028 3.960 0.000 0.000 0.263 146 G C 1.282 176.093 174.900 -0.148 0.000 1.310 146 G CA 0.699 45.724 45.100 -0.125 0.000 1.089 146 G HN 0.327 nan 8.290 nan 0.000 0.534 147 S N -0.524 115.015 115.700 -0.269 0.000 2.620 147 S HA 0.304 4.774 4.470 0.000 0.000 0.234 147 S C 0.549 175.072 174.600 -0.129 0.000 1.064 147 S CA -0.519 57.545 58.200 -0.226 0.000 0.920 147 S CB -0.091 62.818 63.200 -0.485 0.000 0.826 147 S HN 0.157 nan 8.310 nan 0.000 0.557 148 F N 3.919 123.702 119.950 -0.278 0.000 2.459 148 F HA 0.371 4.898 4.527 0.000 0.000 0.346 148 F C 0.451 176.191 175.800 -0.099 0.000 1.128 148 F CA -0.622 57.275 58.000 -0.173 0.000 1.268 148 F CB 0.566 39.444 39.000 -0.203 0.000 1.161 148 F HN 0.065 nan 8.300 nan 0.000 0.583 149 K N 4.405 124.973 120.400 0.280 0.000 2.414 149 K HA 0.031 4.351 4.320 0.000 0.000 0.272 149 K C -0.266 176.517 176.600 0.305 0.000 0.993 149 K CA 0.151 56.569 56.287 0.220 0.000 0.964 149 K CB 0.189 32.768 32.500 0.131 0.000 0.925 149 K HN 0.825 nan 8.250 nan 0.000 0.487 150 E N 0.667 120.950 120.200 0.139 0.000 2.596 150 E HA -0.263 4.087 4.350 0.000 0.000 0.154 150 E C -0.539 176.092 176.600 0.052 0.000 1.849 150 E CA 0.389 56.836 56.400 0.079 0.000 0.629 150 E CB -1.742 27.993 29.700 0.059 0.000 1.066 150 E HN 0.683 nan 8.360 nan 0.000 0.334 151 A N 3.575 126.427 122.820 0.053 0.000 2.377 151 A HA 0.144 4.464 4.320 0.000 0.000 0.274 151 A C 0.479 178.071 177.584 0.013 0.000 1.178 151 A CA 0.716 52.779 52.037 0.042 0.000 0.836 151 A CB 0.319 19.360 19.000 0.067 0.000 1.111 151 A HN 0.560 nan 8.150 nan 0.000 0.517 152 K N 0.192 120.621 120.400 0.049 0.000 2.827 152 K HA 0.324 4.644 4.320 0.000 0.000 0.186 152 K C 0.320 176.933 176.600 0.022 0.000 1.093 152 K CA -0.111 56.192 56.287 0.027 0.000 0.993 152 K CB 0.609 33.134 32.500 0.041 0.000 1.199 152 K HN 0.583 nan 8.250 nan 0.000 0.598 153 I N 1.106 121.686 120.570 0.017 0.000 2.185 153 I HA -0.423 3.747 4.170 0.000 0.000 0.246 153 I C 2.449 178.528 176.117 -0.063 0.000 1.088 153 I CA 1.479 62.777 61.300 -0.004 0.000 1.347 153 I CB -0.398 37.590 38.000 -0.019 0.000 1.041 153 I HN 0.531 nan 8.210 nan 0.000 0.415 154 E N 2.175 122.342 120.200 -0.054 0.000 2.023 154 E HA -0.278 4.072 4.350 0.000 0.000 0.196 154 E C 1.808 178.355 176.600 -0.089 0.000 1.003 154 E CA 1.755 58.117 56.400 -0.064 0.000 0.809 154 E CB -0.809 28.867 29.700 -0.039 0.000 0.755 154 E HN 0.633 nan 8.360 nan 0.000 0.449 155 E N 0.245 120.395 120.200 -0.082 0.000 2.118 155 E HA -0.218 4.132 4.350 0.000 0.000 0.195 155 E C 2.248 178.621 176.600 -0.378 0.000 0.992 155 E CA 1.230 57.567 56.400 -0.105 0.000 0.804 155 E CB -0.416 29.313 29.700 0.049 0.000 0.741 155 E HN 0.548 nan 8.360 nan 0.000 0.458 156 H N 0.218 118.831 119.070 -0.763 0.000 2.290 156 H HA -0.165 4.391 4.556 0.000 0.000 0.298 156 H C 2.089 177.121 175.328 -0.493 0.000 1.087 156 H CA 1.003 56.403 56.048 -1.081 0.000 1.291 156 H CB 0.188 29.570 29.762 -0.634 0.000 1.369 156 H HN 0.023 nan 8.280 nan 0.000 0.492 157 L N 0.991 122.061 121.223 -0.255 0.000 1.989 157 L HA -0.160 4.180 4.340 0.000 0.000 0.211 157 L C 2.997 179.789 176.870 -0.130 0.000 1.071 157 L CA 1.840 56.548 54.840 -0.221 0.000 0.749 157 L CB -1.311 40.642 42.059 -0.176 0.000 0.890 157 L HN 0.430 nan 8.230 nan 0.000 0.431 158 A N -0.616 122.141 122.820 -0.107 0.000 1.884 158 A HA -0.325 3.995 4.320 0.000 0.000 0.219 158 A C 2.474 180.041 177.584 -0.029 0.000 1.197 158 A CA 2.342 54.346 52.037 -0.056 0.000 0.637 158 A CB -0.609 18.368 19.000 -0.039 0.000 0.827 158 A HN 0.339 nan 8.150 nan 0.000 0.450 159 R N -0.065 120.412 120.500 -0.039 0.000 2.080 159 R HA -0.056 4.284 4.340 0.000 0.000 0.236 159 R C 2.003 178.338 176.300 0.059 0.000 1.137 159 R CA 1.930 58.061 56.100 0.052 0.000 0.943 159 R CB -1.069 29.313 30.300 0.137 0.000 0.846 159 R HN 0.531 nan 8.270 nan 0.000 0.431 160 L N 0.463 121.705 121.223 0.031 0.000 2.013 160 L HA -0.226 4.114 4.340 0.000 0.000 0.212 160 L C 2.667 179.531 176.870 -0.009 0.000 1.073 160 L CA 1.841 56.696 54.840 0.025 0.000 0.753 160 L CB -0.631 41.414 42.059 -0.025 0.000 0.890 160 L HN 0.367 nan 8.230 nan 0.000 0.432 161 E N 0.200 120.384 120.200 -0.027 0.000 2.033 161 E HA -0.283 4.067 4.350 0.000 0.000 0.199 161 E C 2.196 178.791 176.600 -0.008 0.000 1.011 161 E CA 1.700 58.084 56.400 -0.026 0.000 0.815 161 E CB -0.108 29.573 29.700 -0.032 0.000 0.755 161 E HN 0.465 nan 8.360 nan 0.000 0.451 162 A N 0.616 123.441 122.820 0.010 0.000 1.948 162 A HA -0.173 4.147 4.320 0.000 0.000 0.220 162 A C 2.549 180.155 177.584 0.035 0.000 1.177 162 A CA 1.831 53.885 52.037 0.029 0.000 0.636 162 A CB -0.687 18.343 19.000 0.048 0.000 0.815 162 A HN 0.193 nan 8.150 nan 0.000 0.449 163 V N 0.390 120.322 119.914 0.030 0.000 2.244 163 V HA -0.240 3.880 4.120 0.000 0.000 0.244 163 V C 2.947 178.994 176.094 -0.077 0.000 1.042 163 V CA 2.462 64.758 62.300 -0.007 0.000 1.006 163 V CB -1.669 30.125 31.823 -0.048 0.000 0.641 163 V HN 0.782 nan 8.190 nan 0.000 0.446 164 T N -1.145 113.361 114.554 -0.079 0.000 2.699 164 T HA -0.319 4.031 4.350 0.000 0.000 0.268 164 T C 1.918 176.593 174.700 -0.042 0.000 1.036 164 T CA 1.718 63.773 62.100 -0.076 0.000 1.147 164 T CB -0.371 68.464 68.868 -0.055 0.000 0.862 164 T HN 0.269 nan 8.240 nan 0.000 0.446 165 K N 1.496 121.884 120.400 -0.021 0.000 2.009 165 K HA -0.158 4.162 4.320 0.000 0.000 0.210 165 K C 2.384 178.989 176.600 0.009 0.000 1.049 165 K CA 2.056 58.341 56.287 -0.004 0.000 0.929 165 K CB -0.533 31.969 32.500 0.003 0.000 0.714 165 K HN 0.649 nan 8.250 nan 0.000 0.440 166 E N 0.140 120.354 120.200 0.023 0.000 2.204 166 E HA -0.127 4.223 4.350 0.000 0.000 0.194 166 E C 2.110 178.741 176.600 0.051 0.000 0.989 166 E CA 0.706 57.137 56.400 0.052 0.000 0.824 166 E CB 0.016 29.774 29.700 0.097 0.000 0.756 166 E HN 0.336 nan 8.360 nan 0.000 0.477 167 I N 1.397 121.974 120.570 0.013 0.000 2.233 167 I HA -0.242 3.928 4.170 0.000 0.000 0.243 167 I C 2.280 178.402 176.117 0.008 0.000 1.093 167 I CA 1.417 62.720 61.300 0.005 0.000 1.380 167 I CB -0.440 37.515 38.000 -0.074 0.000 1.067 167 I HN 0.184 nan 8.210 nan 0.000 0.413 168 E N 0.423 120.621 120.200 -0.004 0.000 2.418 168 E HA -0.108 4.242 4.350 0.000 0.000 0.197 168 E C 1.483 178.088 176.600 0.009 0.000 1.026 168 E CA 1.222 57.621 56.400 -0.001 0.000 0.862 168 E CB -0.344 29.351 29.700 -0.008 0.000 0.799 168 E HN 0.415 nan 8.360 nan 0.000 0.518 169 T N -0.010 114.554 114.554 0.016 0.000 3.040 169 T HA 0.019 4.369 4.350 0.000 0.000 0.252 169 T C 1.553 176.269 174.700 0.028 0.000 1.064 169 T CA 1.183 63.295 62.100 0.021 0.000 1.110 169 T CB 0.301 69.183 68.868 0.023 0.000 0.921 169 T HN 0.259 nan 8.240 nan 0.000 0.480 170 T N -1.130 113.446 114.554 0.037 0.000 2.964 170 T HA 0.523 4.873 4.350 0.000 0.000 0.250 170 T C 1.721 176.448 174.700 0.044 0.000 0.982 170 T CA 0.404 62.530 62.100 0.043 0.000 0.959 170 T CB 0.704 69.605 68.868 0.056 0.000 1.141 170 T HN 0.449 nan 8.240 nan 0.000 0.494 171 G N 0.995 109.823 108.800 0.046 0.000 3.047 171 G HA2 -0.230 3.730 3.960 0.000 0.000 0.203 171 G HA3 -0.230 3.730 3.960 0.000 0.000 0.203 171 G C 0.424 175.368 174.900 0.073 0.000 1.444 171 G CA 0.284 45.411 45.100 0.044 0.000 1.020 171 G HN 0.683 nan 8.290 nan 0.000 0.563 172 T N 0.015 114.627 114.554 0.097 0.000 2.920 172 T HA 0.717 5.067 4.350 0.000 0.000 0.292 172 T C -0.392 174.474 174.700 0.276 0.000 1.093 172 T CA 0.728 62.928 62.100 0.167 0.000 0.944 172 T CB 0.935 69.851 68.868 0.080 0.000 1.605 172 T HN 1.567 nan 8.240 nan 0.000 0.590 173 Y N -1.102 119.202 120.300 0.007 0.000 2.689 173 Y HA 0.680 5.230 4.550 0.000 0.000 0.333 173 Y C -1.664 174.252 175.900 0.027 0.000 1.208 173 Y CA -1.371 56.744 58.100 0.025 0.000 1.055 173 Y CB 0.684 39.170 38.460 0.044 0.000 1.304 173 Y HN 0.307 nan 8.280 nan 0.000 0.455 174 Q N 2.295 122.089 119.800 -0.009 0.000 2.322 174 Q HA 0.496 4.836 4.340 0.000 0.000 0.265 174 Q C -0.911 175.045 176.000 -0.072 0.000 0.985 174 Q CA -0.682 55.065 55.803 -0.095 0.000 0.849 174 Q CB 2.686 31.426 28.738 0.003 0.000 1.274 174 Q HN 0.853 nan 8.270 nan 0.000 0.449 175 L N 1.718 122.865 121.223 -0.127 0.000 2.417 175 L HA 0.279 4.619 4.340 0.000 0.000 0.268 175 L C 1.001 177.871 176.870 -0.000 0.000 1.158 175 L CA -0.320 54.500 54.840 -0.034 0.000 0.819 175 L CB 0.783 42.819 42.059 -0.038 0.000 1.112 175 L HN 0.635 nan 8.230 nan 0.000 0.458 176 T N -0.264 114.288 114.554 -0.003 0.000 2.910 176 T HA 0.121 4.471 4.350 0.000 0.000 0.293 176 T C 1.067 175.752 174.700 -0.025 0.000 1.015 176 T CA -0.766 61.326 62.100 -0.014 0.000 1.094 176 T CB 1.114 69.962 68.868 -0.033 0.000 0.968 176 T HN 0.490 nan 8.240 nan 0.000 0.521 177 L N 1.979 123.197 121.223 -0.009 0.000 2.054 177 L HA -0.171 4.169 4.340 0.000 0.000 0.220 177 L C 1.907 178.786 176.870 0.015 0.000 1.081 177 L CA 2.194 57.030 54.840 -0.006 0.000 0.780 177 L CB -1.114 40.945 42.059 0.000 0.000 0.893 177 L HN 0.850 nan 8.230 nan 0.000 0.438 178 D N -0.923 119.495 120.400 0.030 0.000 2.178 178 D HA -0.165 4.476 4.640 0.000 0.000 0.201 178 D C 2.109 178.494 176.300 0.142 0.000 0.980 178 D CA 1.345 55.410 54.000 0.108 0.000 0.842 178 D CB 0.026 40.920 40.800 0.157 0.000 0.948 178 D HN 0.565 nan 8.370 nan 0.000 0.472 179 E N -0.072 120.075 120.200 -0.088 0.000 2.107 179 E HA -0.080 4.270 4.350 0.000 0.000 0.191 179 E C 2.124 178.883 176.600 0.265 0.000 0.982 179 E CA 0.190 56.563 56.400 -0.044 0.000 0.809 179 E CB 0.018 29.650 29.700 -0.114 0.000 0.756 179 E HN 0.267 nan 8.360 nan 0.000 0.459 180 L N 1.019 122.291 121.223 0.082 0.000 1.994 180 L HA -0.206 4.134 4.340 0.000 0.000 0.208 180 L C 2.369 179.263 176.870 0.040 0.000 1.071 180 L CA 1.259 56.089 54.840 -0.017 0.000 0.745 180 L CB -0.188 41.805 42.059 -0.110 0.000 0.892 180 L HN 0.190 nan 8.230 nan 0.000 0.431 181 I N -0.852 119.765 120.570 0.078 0.000 2.151 181 I HA -0.396 3.775 4.170 0.000 0.000 0.243 181 I C 2.455 178.684 176.117 0.186 0.000 1.080 181 I CA 1.693 63.048 61.300 0.091 0.000 1.339 181 I CB -0.450 37.604 38.000 0.091 0.000 1.039 181 I HN 0.250 nan 8.210 nan 0.000 0.409 182 F N 1.804 121.864 119.950 0.184 0.000 2.095 182 F HA -0.265 4.262 4.527 0.000 0.000 0.298 182 F C 2.469 178.419 175.800 0.250 0.000 1.104 182 F CA 1.522 59.676 58.000 0.258 0.000 1.232 182 F CB -0.399 38.850 39.000 0.415 0.000 0.987 182 F HN 0.013 nan 8.300 nan 0.000 0.475 183 A N 0.055 123.047 122.820 0.288 0.000 1.877 183 A HA -0.229 4.091 4.320 0.000 0.000 0.216 183 A C 2.288 179.816 177.584 -0.093 0.000 1.186 183 A CA 2.772 54.856 52.037 0.078 0.000 0.620 183 A CB -1.689 17.295 19.000 -0.027 0.000 0.822 183 A HN 0.554 nan 8.150 nan 0.000 0.443 184 T N -1.628 112.898 114.554 -0.046 0.000 2.746 184 T HA -0.167 4.183 4.350 0.000 0.000 0.267 184 T C 1.837 176.608 174.700 0.118 0.000 1.039 184 T CA 1.705 63.815 62.100 0.016 0.000 1.142 184 T CB -0.312 68.575 68.868 0.031 0.000 0.866 184 T HN 0.527 nan 8.240 nan 0.000 0.444 185 K N 0.144 120.611 120.400 0.111 0.000 2.025 185 K HA 0.092 4.412 4.320 0.000 0.000 0.207 185 K C 2.574 179.238 176.600 0.106 0.000 1.049 185 K CA 1.247 57.680 56.287 0.243 0.000 0.933 185 K CB -0.228 32.428 32.500 0.260 0.000 0.714 185 K HN 0.208 nan 8.250 nan 0.000 0.438 186 M N 0.541 120.031 119.600 -0.183 0.000 2.117 186 M HA -0.115 4.365 4.480 0.000 0.000 0.262 186 M C 2.423 178.593 176.300 -0.217 0.000 1.065 186 M CA 1.530 56.629 55.300 -0.336 0.000 1.114 186 M CB -1.116 31.167 32.600 -0.529 0.000 1.361 186 M HN 0.180 nan 8.290 nan 0.000 0.408 187 A N -0.519 122.168 122.820 -0.221 0.000 1.908 187 A HA -0.222 4.098 4.320 0.000 0.000 0.218 187 A C 2.022 179.521 177.584 -0.142 0.000 1.181 187 A CA 1.674 53.483 52.037 -0.381 0.000 0.627 187 A CB -1.227 17.203 19.000 -0.949 0.000 0.818 187 A HN 0.683 nan 8.150 nan 0.000 0.445 188 W N 0.899 122.152 121.300 -0.078 0.000 2.354 188 W HA -0.159 4.501 4.660 0.000 0.000 0.315 188 W C 2.309 178.751 176.519 -0.128 0.000 1.206 188 W CA 1.660 58.987 57.345 -0.029 0.000 1.290 188 W CB -0.894 28.539 29.460 -0.044 0.000 1.152 188 W HN 0.360 nan 8.180 nan 0.000 0.489 189 R N 0.252 120.685 120.500 -0.112 0.000 2.154 189 R HA -0.204 4.136 4.340 0.000 0.000 0.248 189 R C 1.236 177.399 176.300 -0.227 0.000 1.155 189 R CA 1.846 57.725 56.100 -0.369 0.000 0.979 189 R CB -0.496 29.426 30.300 -0.630 0.000 0.869 189 R HN 0.111 nan 8.270 nan 0.000 0.452 190 N N -0.188 118.414 118.700 -0.164 0.000 2.268 190 N HA 0.074 4.814 4.740 0.000 0.000 0.204 190 N C -0.884 174.542 175.510 -0.140 0.000 1.124 190 N CA 0.357 53.334 53.050 -0.122 0.000 0.838 190 N CB 1.169 39.629 38.487 -0.045 0.000 0.994 190 N HN 0.137 nan 8.380 nan 0.000 0.489 191 A N 2.276 125.010 122.820 -0.144 0.000 2.437 191 A HA 0.257 4.577 4.320 0.000 0.000 0.303 191 A C -0.999 176.501 177.584 -0.139 0.000 1.324 191 A CA -1.121 50.780 52.037 -0.227 0.000 0.983 191 A CB 0.473 19.393 19.000 -0.132 0.000 1.142 191 A HN -0.006 nan 8.150 nan 0.000 0.541 192 P HA -0.160 nan 4.420 nan 0.000 0.223 192 P C 0.694 177.922 177.300 -0.120 0.000 1.144 192 P CA 1.070 64.103 63.100 -0.111 0.000 0.783 192 P CB 0.201 31.827 31.700 -0.123 0.000 0.771 193 R N -1.357 119.034 120.500 -0.180 0.000 2.427 193 R HA 0.196 4.536 4.340 0.000 0.000 0.262 193 R C 0.244 176.520 176.300 -0.040 0.000 0.943 193 R CA -0.234 55.791 56.100 -0.126 0.000 1.081 193 R CB -0.215 29.864 30.300 -0.368 0.000 1.166 193 R HN 0.129 nan 8.270 nan 0.000 0.534 194 C N 1.032 120.290 119.300 -0.070 0.000 2.251 194 C HA 0.290 4.750 4.460 0.000 0.000 0.323 194 C C 1.709 176.645 174.990 -0.090 0.000 1.241 194 C CA -0.884 58.114 59.018 -0.033 0.000 1.601 194 C CB -0.567 27.212 27.740 0.066 0.000 2.251 194 C HN 0.496 nan 8.230 nan 0.000 0.488 195 I N 4.662 125.146 120.570 -0.142 0.000 2.614 195 I HA 0.136 4.306 4.170 0.000 0.000 0.258 195 I C 2.028 178.154 176.117 0.015 0.000 1.189 195 I CA 1.770 62.942 61.300 -0.213 0.000 1.462 195 I CB 0.025 37.926 38.000 -0.165 0.000 1.092 195 I HN 0.859 nan 8.210 nan 0.000 0.442 196 G N -0.255 108.560 108.800 0.025 0.000 3.371 196 G HA2 0.018 3.978 3.960 0.000 0.000 0.248 196 G HA3 0.018 3.978 3.960 0.000 0.000 0.248 196 G C 1.281 176.180 174.900 -0.003 0.000 1.161 196 G CA -0.363 44.758 45.100 0.035 0.000 0.796 196 G HN 0.265 nan 8.290 nan 0.000 0.539 197 R N -0.093 120.336 120.500 -0.117 0.000 2.355 197 R HA 0.010 4.350 4.340 0.000 0.000 0.219 197 R C 1.903 177.681 176.300 -0.870 0.000 1.107 197 R CA 0.326 56.073 56.100 -0.588 0.000 1.021 197 R CB -0.261 29.707 30.300 -0.553 0.000 0.852 197 R HN 0.473 nan 8.270 nan 0.000 0.475 198 I N 0.954 121.198 120.570 -0.543 0.000 2.614 198 I HA -0.221 3.949 4.170 0.000 0.000 0.258 198 I C 1.667 177.686 176.117 -0.164 0.000 1.189 198 I CA 1.198 62.365 61.300 -0.221 0.000 1.462 198 I CB 0.162 38.170 38.000 0.013 0.000 1.092 198 I HN 0.131 nan 8.210 nan 0.000 0.442 199 Q N 0.534 120.174 119.800 -0.266 0.000 2.425 199 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 199 Q C 1.688 177.257 176.000 -0.718 0.000 0.933 199 Q CA 0.640 56.280 55.803 -0.272 0.000 0.939 199 Q CB -0.287 28.451 28.738 0.000 0.000 1.044 199 Q HN 0.795 nan 8.270 nan 0.000 0.513 200 W N 1.525 122.022 121.300 -1.338 0.000 2.258 200 W HA -0.330 4.330 4.660 0.000 0.000 0.302 200 W C 1.319 177.434 176.519 -0.674 0.000 1.241 200 W CA 1.740 58.066 57.345 -1.698 0.000 1.246 200 W CB -1.457 27.307 29.460 -1.160 0.000 1.134 200 W HN 0.194 nan 8.180 nan 0.000 0.531 201 S N 0.464 115.273 115.700 -1.484 0.000 2.461 201 S HA -0.053 4.417 4.470 0.000 0.000 0.228 201 S C 0.530 174.851 174.600 -0.465 0.000 1.005 201 S CA 0.446 57.933 58.200 -1.188 0.000 0.942 201 S CB -1.007 61.397 63.200 -1.328 0.000 0.776 201 S HN 0.402 nan 8.310 nan 0.000 0.514 202 N N 1.713 120.243 118.700 -0.283 0.000 2.482 202 N HA 0.530 5.270 4.740 0.000 0.000 0.242 202 N C -1.388 174.197 175.510 0.126 0.000 1.100 202 N CA -0.314 52.706 53.050 -0.050 0.000 0.946 202 N CB 0.863 39.356 38.487 0.011 0.000 1.227 202 N HN 0.243 nan 8.380 nan 0.000 0.508 203 L N 1.837 123.100 121.223 0.066 0.000 2.562 203 L HA 0.269 4.610 4.340 0.000 0.000 0.266 203 L C -1.210 175.609 176.870 -0.085 0.000 0.949 203 L CA -0.707 54.170 54.840 0.062 0.000 0.879 203 L CB 1.911 44.077 42.059 0.178 0.000 1.278 203 L HN 0.289 nan 8.230 nan 0.000 0.404 204 Q N 3.028 122.718 119.800 -0.183 0.000 2.286 204 Q HA 0.614 4.954 4.340 0.000 0.000 0.257 204 Q C -1.590 174.042 176.000 -0.614 0.000 0.941 204 Q CA -0.084 55.437 55.803 -0.471 0.000 0.912 204 Q CB 1.441 29.730 28.738 -0.749 0.000 1.192 204 Q HN 0.523 nan 8.270 nan 0.000 0.410 205 V N 5.921 125.479 119.914 -0.593 0.000 2.350 205 V HA 0.405 4.525 4.120 0.000 0.000 0.285 205 V C -0.911 174.880 176.094 -0.505 0.000 1.014 205 V CA -0.644 61.383 62.300 -0.455 0.000 0.831 205 V CB 0.534 32.222 31.823 -0.225 0.000 1.000 205 V HN 0.641 nan 8.190 nan 0.000 0.433 206 F N 2.509 122.323 119.950 -0.228 0.000 2.391 206 F HA 0.373 4.900 4.527 0.000 0.000 0.359 206 F C 0.663 176.314 175.800 -0.250 0.000 1.122 206 F CA -1.122 56.741 58.000 -0.228 0.000 1.120 206 F CB 0.911 39.775 39.000 -0.228 0.000 1.142 206 F HN 0.418 nan 8.300 nan 0.000 0.483 207 D N 3.396 123.787 120.400 -0.015 0.000 2.402 207 D HA 0.333 4.973 4.640 0.000 0.000 0.235 207 D C 0.288 176.480 176.300 -0.181 0.000 1.226 207 D CA 0.196 54.131 54.000 -0.108 0.000 0.918 207 D CB 0.835 41.600 40.800 -0.058 0.000 1.043 207 D HN 0.612 nan 8.370 nan 0.000 0.506 208 A N 4.388 126.979 122.820 -0.382 0.000 2.574 208 A HA 0.141 4.461 4.320 0.000 0.000 0.283 208 A C 1.742 179.128 177.584 -0.330 0.000 1.270 208 A CA -0.363 51.315 52.037 -0.598 0.000 0.945 208 A CB 0.038 18.237 19.000 -1.335 0.000 1.127 208 A HN 0.478 nan 8.150 nan 0.000 0.522 209 R N 0.562 120.950 120.500 -0.187 0.000 2.293 209 R HA -0.152 4.188 4.340 0.000 0.000 0.219 209 R C 0.991 177.241 176.300 -0.083 0.000 1.091 209 R CA 1.531 57.572 56.100 -0.098 0.000 1.004 209 R CB -0.114 30.174 30.300 -0.019 0.000 0.865 209 R HN 0.799 nan 8.270 nan 0.000 0.469 210 N N -0.951 117.716 118.700 -0.056 0.000 2.280 210 N HA -0.034 4.706 4.740 0.000 0.000 0.192 210 N C 0.375 175.913 175.510 0.045 0.000 1.109 210 N CA -0.224 52.828 53.050 0.003 0.000 0.855 210 N CB -0.108 38.398 38.487 0.031 0.000 0.974 210 N HN 0.014 nan 8.380 nan 0.000 0.482 211 C N 0.829 120.144 119.300 0.026 0.000 2.702 211 C HA 0.342 4.802 4.460 0.000 0.000 0.411 211 C C 1.704 176.829 174.990 0.224 0.000 1.286 211 C CA 0.653 59.773 59.018 0.169 0.000 1.979 211 C CB -0.064 27.825 27.740 0.249 0.000 2.728 211 C HN 0.693 nan 8.230 nan 0.000 0.652 212 S N 1.220 117.120 115.700 0.334 0.000 2.617 212 S HA 0.215 4.685 4.470 0.000 0.000 0.278 212 S C 0.133 174.899 174.600 0.276 0.000 1.082 212 S CA 0.443 58.868 58.200 0.376 0.000 1.228 212 S CB -0.163 63.164 63.200 0.211 0.000 1.130 212 S HN 1.101 nan 8.310 nan 0.000 0.621 213 T N -1.482 113.212 114.554 0.233 0.000 2.916 213 T HA 0.853 5.203 4.350 0.000 0.000 0.292 213 T C 1.197 175.972 174.700 0.124 0.000 1.064 213 T CA -0.211 61.968 62.100 0.132 0.000 1.011 213 T CB 1.379 70.315 68.868 0.113 0.000 1.152 213 T HN 0.274 nan 8.240 nan 0.000 0.510 214 A N 0.327 123.206 122.820 0.097 0.000 1.933 214 A HA -0.064 4.256 4.320 0.000 0.000 0.218 214 A C 2.282 179.858 177.584 -0.012 0.000 1.175 214 A CA 2.008 54.117 52.037 0.120 0.000 0.628 214 A CB -1.134 18.048 19.000 0.304 0.000 0.814 214 A HN 0.861 nan 8.150 nan 0.000 0.444 215 Q N 0.231 120.089 119.800 0.097 0.000 2.124 215 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 215 Q C 1.746 177.738 176.000 -0.013 0.000 0.977 215 Q CA 2.187 57.990 55.803 -0.000 0.000 0.850 215 Q CB -0.335 28.500 28.738 0.162 0.000 0.901 215 Q HN 0.760 nan 8.270 nan 0.000 0.429 216 E N -0.727 119.513 120.200 0.067 0.000 2.152 216 E HA -0.127 4.223 4.350 0.000 0.000 0.192 216 E C 1.990 178.732 176.600 0.237 0.000 0.983 216 E CA 1.051 57.520 56.400 0.116 0.000 0.818 216 E CB -0.088 29.738 29.700 0.209 0.000 0.758 216 E HN 0.448 nan 8.360 nan 0.000 0.467 217 M N 0.046 119.758 119.600 0.187 0.000 2.086 217 M HA -0.159 4.322 4.480 0.000 0.000 0.261 217 M C 2.237 178.619 176.300 0.136 0.000 1.067 217 M CA 1.278 56.679 55.300 0.168 0.000 1.116 217 M CB -0.332 32.159 32.600 -0.181 0.000 1.348 217 M HN 0.136 nan 8.290 nan 0.000 0.407 218 F N 1.495 121.257 119.950 -0.314 0.000 2.120 218 F HA -0.276 4.251 4.527 0.000 0.000 0.300 218 F C 2.262 177.945 175.800 -0.195 0.000 1.095 218 F CA 1.864 59.605 58.000 -0.432 0.000 1.249 218 F CB -0.589 37.762 39.000 -1.081 0.000 0.995 218 F HN 0.189 nan 8.300 nan 0.000 0.480 219 Q N -1.189 118.432 119.800 -0.299 0.000 2.079 219 Q HA -0.201 4.139 4.340 0.000 0.000 0.200 219 Q C 2.072 177.898 176.000 -0.290 0.000 0.974 219 Q CA 1.966 57.540 55.803 -0.382 0.000 0.840 219 Q CB -0.401 28.165 28.738 -0.287 0.000 0.898 219 Q HN 0.578 nan 8.270 nan 0.000 0.430 220 H N -0.021 119.005 119.070 -0.074 0.000 2.353 220 H HA -0.088 4.468 4.556 0.000 0.000 0.300 220 H C 1.908 177.204 175.328 -0.053 0.000 1.090 220 H CA 1.464 57.474 56.048 -0.063 0.000 1.327 220 H CB 0.091 29.895 29.762 0.070 0.000 1.383 220 H HN 0.170 nan 8.280 nan 0.000 0.508 221 I N -0.405 120.257 120.570 0.153 0.000 2.142 221 I HA -0.334 3.836 4.170 0.000 0.000 0.240 221 I C 2.210 178.311 176.117 -0.025 0.000 1.078 221 I CA 0.873 62.227 61.300 0.089 0.000 1.343 221 I CB -0.337 37.724 38.000 0.102 0.000 1.046 221 I HN 0.403 nan 8.210 nan 0.000 0.405 222 C N 0.492 119.677 119.300 -0.191 0.000 2.398 222 C HA -0.222 4.238 4.460 0.000 0.000 0.276 222 C C 3.008 177.924 174.990 -0.123 0.000 1.222 222 C CA 1.304 60.190 59.018 -0.220 0.000 1.746 222 C CB -1.308 26.169 27.740 -0.438 0.000 2.039 222 C HN 0.487 nan 8.230 nan 0.000 0.470 223 R N -0.094 120.305 120.500 -0.168 0.000 2.091 223 R HA -0.204 4.136 4.340 0.000 0.000 0.238 223 R C 2.443 178.670 176.300 -0.122 0.000 1.136 223 R CA 1.922 57.902 56.100 -0.200 0.000 0.959 223 R CB -0.716 29.369 30.300 -0.359 0.000 0.856 223 R HN 0.688 nan 8.270 nan 0.000 0.437 224 H N 0.919 119.883 119.070 -0.177 0.000 2.293 224 H HA -0.097 4.459 4.556 0.000 0.000 0.300 224 H C 2.085 177.496 175.328 0.139 0.000 1.082 224 H CA 2.195 58.263 56.048 0.033 0.000 1.308 224 H CB -0.303 29.503 29.762 0.073 0.000 1.375 224 H HN 0.262 nan 8.280 nan 0.000 0.495 225 I N 0.265 121.017 120.570 0.303 0.000 2.208 225 I HA -0.284 3.886 4.170 0.000 0.000 0.245 225 I C 2.677 178.889 176.117 0.159 0.000 1.097 225 I CA 0.972 62.396 61.300 0.206 0.000 1.363 225 I CB -0.235 37.810 38.000 0.076 0.000 1.051 225 I HN 0.193 nan 8.210 nan 0.000 0.413 226 L N 0.027 121.316 121.223 0.109 0.000 2.027 226 L HA -0.247 4.093 4.340 0.000 0.000 0.206 226 L C 2.461 179.394 176.870 0.105 0.000 1.074 226 L CA 1.839 56.724 54.840 0.075 0.000 0.745 226 L CB -0.964 41.112 42.059 0.029 0.000 0.898 226 L HN 0.264 nan 8.230 nan 0.000 0.433 227 Y N 0.234 120.566 120.300 0.054 0.000 2.114 227 Y HA -0.211 4.339 4.550 0.000 0.000 0.284 227 Y C 2.359 178.320 175.900 0.101 0.000 1.143 227 Y CA 2.137 60.294 58.100 0.095 0.000 1.135 227 Y CB -0.587 37.997 38.460 0.206 0.000 0.980 227 Y HN 0.225 nan 8.280 nan 0.000 0.499 228 A N -0.705 122.221 122.820 0.176 0.000 1.930 228 A HA -0.145 4.175 4.320 0.000 0.000 0.217 228 A C 2.203 179.811 177.584 0.040 0.000 1.175 228 A CA 2.136 54.233 52.037 0.100 0.000 0.627 228 A CB -1.290 17.880 19.000 0.284 0.000 0.815 228 A HN 0.532 nan 8.150 nan 0.000 0.443 229 T N -0.164 114.431 114.554 0.069 0.000 2.737 229 T HA -0.115 4.235 4.350 0.000 0.000 0.265 229 T C 1.138 175.839 174.700 0.003 0.000 1.038 229 T CA 1.322 63.460 62.100 0.063 0.000 1.144 229 T CB -0.405 68.505 68.868 0.071 0.000 0.866 229 T HN 0.635 nan 8.240 nan 0.000 0.434 230 N N 1.841 120.514 118.700 -0.046 0.000 2.708 230 N HA -0.273 4.468 4.740 0.000 0.000 0.251 230 N C 0.082 175.567 175.510 -0.043 0.000 1.017 230 N CA 0.951 53.953 53.050 -0.080 0.000 0.742 230 N CB -2.175 36.218 38.487 -0.158 0.000 0.943 230 N HN 0.672 nan 8.380 nan 0.000 0.539 231 N N -1.911 116.779 118.700 -0.018 0.000 2.735 231 N HA -0.250 4.490 4.740 0.000 0.000 0.248 231 N C 0.919 176.419 175.510 -0.017 0.000 1.083 231 N CA 1.241 54.282 53.050 -0.015 0.000 0.703 231 N CB -1.221 37.253 38.487 -0.021 0.000 1.005 231 N HN 1.048 nan 8.380 nan 0.000 0.550 232 G N 0.307 109.105 108.800 -0.003 0.000 2.349 232 G HA2 -0.312 3.648 3.960 0.000 0.000 0.213 232 G HA3 -0.312 3.648 3.960 0.000 0.000 0.213 232 G C -0.050 174.848 174.900 -0.004 0.000 1.044 232 G CA 0.236 45.336 45.100 0.001 0.000 0.633 232 G HN 0.565 nan 8.290 nan 0.000 0.506 233 N N 2.090 120.769 118.700 -0.035 0.000 2.819 233 N HA 0.309 5.049 4.740 0.000 0.000 0.284 233 N C 0.561 176.042 175.510 -0.049 0.000 1.196 233 N CA -0.650 52.360 53.050 -0.066 0.000 1.114 233 N CB -0.210 38.231 38.487 -0.077 0.000 1.437 233 N HN 0.242 nan 8.380 nan 0.000 0.518 234 I N 2.339 122.912 120.570 0.004 0.000 2.845 234 I HA -0.090 4.080 4.170 0.000 0.000 0.296 234 I C 0.815 177.033 176.117 0.169 0.000 1.216 234 I CA 0.960 62.329 61.300 0.115 0.000 1.438 234 I CB -0.038 38.124 38.000 0.270 0.000 1.342 234 I HN 0.410 nan 8.210 nan 0.000 0.577 235 R N 3.829 124.403 120.500 0.123 0.000 2.599 235 R HA 0.395 4.735 4.340 0.000 0.000 0.295 235 R C -0.440 175.970 176.300 0.184 0.000 0.963 235 R CA -0.685 55.494 56.100 0.131 0.000 0.883 235 R CB 1.892 32.100 30.300 -0.153 0.000 1.171 235 R HN 0.540 nan 8.270 nan 0.000 0.450 236 S N 1.474 117.278 115.700 0.175 0.000 2.531 236 S HA 0.488 4.958 4.470 0.000 0.000 0.279 236 S C -0.354 174.254 174.600 0.014 0.000 1.305 236 S CA -0.285 57.917 58.200 0.005 0.000 1.058 236 S CB 1.214 64.338 63.200 -0.127 0.000 0.899 236 S HN 0.689 nan 8.310 nan 0.000 0.493 237 A N 3.117 125.911 122.820 -0.045 0.000 2.594 237 A HA 0.815 5.135 4.320 0.000 0.000 0.295 237 A C -1.245 176.308 177.584 -0.051 0.000 1.071 237 A CA -0.636 51.294 52.037 -0.177 0.000 0.685 237 A CB 1.196 20.019 19.000 -0.295 0.000 1.285 237 A HN 0.792 nan 8.150 nan 0.000 0.405 238 I N 0.633 121.142 120.570 -0.101 0.000 2.686 238 I HA 0.690 4.860 4.170 0.000 0.000 0.295 238 I C -0.775 175.392 176.117 0.084 0.000 1.114 238 I CA -0.188 61.192 61.300 0.133 0.000 1.038 238 I CB 2.412 40.452 38.000 0.068 0.000 1.238 238 I HN 0.701 nan 8.210 nan 0.000 0.420 239 T N 6.577 121.244 114.554 0.188 0.000 2.815 239 T HA 0.524 4.874 4.350 0.000 0.000 0.289 239 T C -1.052 173.486 174.700 -0.271 0.000 1.000 239 T CA -0.412 61.682 62.100 -0.009 0.000 0.958 239 T CB 0.672 69.567 68.868 0.045 0.000 0.944 239 T HN 0.268 nan 8.240 nan 0.000 0.442 240 V N 7.436 127.159 119.914 -0.318 0.000 2.348 240 V HA 0.444 4.564 4.120 0.000 0.000 0.270 240 V C 0.095 175.960 176.094 -0.381 0.000 1.037 240 V CA -0.657 61.464 62.300 -0.298 0.000 0.872 240 V CB -0.438 31.178 31.823 -0.345 0.000 1.002 240 V HN 0.809 nan 8.190 nan 0.000 0.464 241 F N 5.091 124.992 119.950 -0.082 0.000 2.284 241 F HA 0.407 4.934 4.527 0.000 0.000 0.297 241 F C -1.670 174.025 175.800 -0.175 0.000 1.215 241 F CA -2.154 55.716 58.000 -0.215 0.000 1.120 241 F CB 0.203 39.075 39.000 -0.213 0.000 1.426 241 F HN 0.297 nan 8.300 nan 0.000 0.514 242 P HA -0.028 nan 4.420 nan 0.000 0.264 242 P C -1.189 176.079 177.300 -0.052 0.000 1.183 242 P CA -0.027 62.924 63.100 -0.247 0.000 0.763 242 P CB 0.218 31.541 31.700 -0.629 0.000 0.807 243 Q N 3.081 122.806 119.800 -0.124 0.000 2.492 243 Q HA 0.125 4.465 4.340 0.000 0.000 0.238 243 Q C 0.090 175.971 176.000 -0.198 0.000 1.045 243 Q CA -0.582 54.941 55.803 -0.467 0.000 0.934 243 Q CB 0.696 28.872 28.738 -0.937 0.000 1.276 243 Q HN 0.315 nan 8.270 nan 0.000 0.521 244 R N 1.022 121.398 120.500 -0.207 0.000 2.401 244 R HA 0.024 4.364 4.340 0.000 0.000 0.299 244 R C 0.300 176.567 176.300 -0.055 0.000 1.064 244 R CA 0.666 56.733 56.100 -0.054 0.000 1.000 244 R CB 0.556 30.826 30.300 -0.051 0.000 0.973 244 R HN 0.937 nan 8.270 nan 0.000 0.438 245 S N 3.057 118.775 115.700 0.030 0.000 2.440 245 S HA -0.077 4.393 4.470 0.000 0.000 0.194 245 S C 1.150 175.778 174.600 0.048 0.000 0.952 245 S CA 0.479 58.704 58.200 0.043 0.000 0.898 245 S CB -0.170 63.090 63.200 0.100 0.000 0.875 245 S HN 0.825 nan 8.310 nan 0.000 0.581 246 D N 0.328 120.777 120.400 0.082 0.000 2.269 246 D HA 0.255 4.895 4.640 0.000 0.000 0.220 246 D C 1.586 177.882 176.300 -0.006 0.000 0.962 246 D CA 1.347 55.371 54.000 0.040 0.000 0.884 246 D CB -0.434 40.396 40.800 0.050 0.000 1.023 246 D HN 0.800 nan 8.370 nan 0.000 0.484 247 G N 0.656 109.445 108.800 -0.018 0.000 2.485 247 G HA2 -0.198 3.762 3.960 0.000 0.000 0.181 247 G HA3 -0.198 3.762 3.960 0.000 0.000 0.181 247 G C 0.811 175.668 174.900 -0.072 0.000 0.999 247 G CA 0.215 45.295 45.100 -0.033 0.000 0.721 247 G HN 0.414 nan 8.290 nan 0.000 0.486 248 K N 0.532 120.826 120.400 -0.177 0.000 2.478 248 K HA 0.303 4.623 4.320 0.000 0.000 0.205 248 K C 0.073 176.430 176.600 -0.405 0.000 1.033 248 K CA -0.335 55.784 56.287 -0.280 0.000 1.091 248 K CB 0.138 32.431 32.500 -0.344 0.000 0.844 248 K HN 0.318 nan 8.250 nan 0.000 0.507 249 H N 0.442 119.526 119.070 0.023 0.000 2.535 249 H HA 0.221 4.777 4.556 0.000 0.000 0.232 249 H C -1.234 174.140 175.328 0.076 0.000 1.405 249 H CA -0.670 55.394 56.048 0.027 0.000 1.224 249 H CB 0.360 30.151 29.762 0.049 0.000 1.763 249 H HN 0.104 nan 8.280 nan 0.000 0.529 250 D N 0.662 121.141 120.400 0.133 0.000 2.225 250 D HA 0.166 4.806 4.640 0.000 0.000 0.248 250 D C 0.103 176.485 176.300 0.137 0.000 1.096 250 D CA -0.205 53.896 54.000 0.169 0.000 0.863 250 D CB 1.039 41.905 40.800 0.110 0.000 1.156 250 D HN 0.039 nan 8.370 nan 0.000 0.450 251 F N 2.403 122.393 119.950 0.067 0.000 2.404 251 F HA 0.385 4.912 4.527 0.000 0.000 0.345 251 F C 0.961 176.785 175.800 0.041 0.000 1.110 251 F CA -0.182 57.832 58.000 0.023 0.000 1.130 251 F CB 0.779 39.777 39.000 -0.003 0.000 1.129 251 F HN -0.135 nan 8.300 nan 0.000 0.500 252 R N 3.576 124.175 120.500 0.166 0.000 2.584 252 R HA 0.463 4.803 4.340 0.000 0.000 0.276 252 R C -1.790 174.656 176.300 0.244 0.000 1.046 252 R CA -1.094 55.123 56.100 0.194 0.000 0.906 252 R CB 2.127 32.547 30.300 0.200 0.000 1.215 252 R HN 0.465 nan 8.270 nan 0.000 0.449 253 L N 1.840 123.188 121.223 0.208 0.000 2.275 253 L HA 0.349 4.689 4.340 0.000 0.000 0.288 253 L C 0.731 177.819 176.870 0.363 0.000 1.046 253 L CA -0.066 54.912 54.840 0.230 0.000 0.805 253 L CB 0.712 42.834 42.059 0.106 0.000 1.193 253 L HN 0.585 nan 8.230 nan 0.000 0.426 254 W N 0.648 122.027 121.300 0.132 0.000 2.658 254 W HA 0.054 4.715 4.660 0.000 0.000 0.263 254 W C 0.658 177.307 176.519 0.217 0.000 1.274 254 W CA -0.398 57.127 57.345 0.299 0.000 1.343 254 W CB -0.765 28.938 29.460 0.405 0.000 1.106 254 W HN 0.489 nan 8.180 nan 0.000 0.615 255 N N -0.457 118.373 118.700 0.216 0.000 2.482 255 N HA 0.034 4.774 4.740 0.000 0.000 0.260 255 N C 1.104 176.457 175.510 -0.261 0.000 1.236 255 N CA 0.448 53.316 53.050 -0.302 0.000 0.938 255 N CB 0.749 39.166 38.487 -0.118 0.000 1.128 255 N HN -0.287 nan 8.380 nan 0.000 0.448 256 S N -0.200 115.271 115.700 -0.381 0.000 2.395 256 S HA -0.052 4.418 4.470 0.000 0.000 0.225 256 S C 0.406 174.897 174.600 -0.182 0.000 1.027 256 S CA 0.924 58.995 58.200 -0.214 0.000 0.965 256 S CB -0.130 62.960 63.200 -0.183 0.000 0.812 256 S HN 0.673 nan 8.310 nan 0.000 0.482 257 Q N -0.412 119.269 119.800 -0.198 0.000 2.456 257 Q HA 0.429 4.769 4.340 0.000 0.000 0.284 257 Q C 0.051 175.934 176.000 -0.195 0.000 1.061 257 Q CA -0.838 54.857 55.803 -0.180 0.000 0.799 257 Q CB 0.973 29.643 28.738 -0.114 0.000 1.445 257 Q HN -0.024 nan 8.270 nan 0.000 0.411 258 L N 0.457 121.566 121.223 -0.190 0.000 1.971 258 L HA -0.071 4.269 4.340 0.000 0.000 0.215 258 L C 0.734 177.474 176.870 -0.217 0.000 1.072 258 L CA 1.949 56.686 54.840 -0.171 0.000 0.758 258 L CB -0.382 41.576 42.059 -0.168 0.000 0.889 258 L HN 0.657 nan 8.230 nan 0.000 0.433 259 I N -1.400 118.974 120.570 -0.327 0.000 2.377 259 I HA 0.515 4.685 4.170 0.000 0.000 0.293 259 I C -0.160 175.344 176.117 -1.021 0.000 0.987 259 I CA -0.218 60.717 61.300 -0.608 0.000 1.185 259 I CB 1.614 39.227 38.000 -0.646 0.000 1.341 259 I HN 0.063 nan 8.210 nan 0.000 0.455 260 R N 4.450 124.372 120.500 -0.963 0.000 2.764 260 R HA 0.383 4.723 4.340 0.000 0.000 0.250 260 R C -1.981 174.033 176.300 -0.477 0.000 1.122 260 R CA -0.688 54.948 56.100 -0.773 0.000 1.022 260 R CB 0.484 30.591 30.300 -0.321 0.000 1.266 260 R HN 0.323 nan 8.270 nan 0.000 0.454 261 Y N 1.826 122.043 120.300 -0.137 0.000 2.379 261 Y HA 0.543 5.093 4.550 0.000 0.000 0.337 261 Y C 1.101 176.987 175.900 -0.023 0.000 1.238 261 Y CA 0.298 58.390 58.100 -0.014 0.000 1.405 261 Y CB 0.812 39.351 38.460 0.132 0.000 1.310 261 Y HN 0.715 nan 8.280 nan 0.000 0.569 262 A N 1.017 123.900 122.820 0.104 0.000 2.286 262 A HA 0.728 5.048 4.320 0.000 0.000 0.286 262 A C 0.323 177.709 177.584 -0.329 0.000 1.097 262 A CA 0.043 51.979 52.037 -0.168 0.000 0.821 262 A CB 0.139 18.975 19.000 -0.274 0.000 1.076 262 A HN 0.894 nan 8.150 nan 0.000 0.490 263 G N -0.051 108.497 108.800 -0.420 0.000 2.609 263 G HA2 0.588 4.548 3.960 0.000 0.000 0.308 263 G HA3 0.588 4.548 3.960 0.000 0.000 0.308 263 G C -1.286 173.375 174.900 -0.399 0.000 1.369 263 G CA -0.268 44.626 45.100 -0.343 0.000 0.958 263 G HN 0.535 nan 8.290 nan 0.000 0.499 264 Y N 0.266 120.605 120.300 0.066 0.000 2.446 264 Y HA 0.518 5.068 4.550 0.000 0.000 0.345 264 Y C 0.276 176.233 175.900 0.095 0.000 0.984 264 Y CA -1.179 56.983 58.100 0.103 0.000 1.058 264 Y CB 2.512 41.078 38.460 0.177 0.000 1.220 264 Y HN 0.471 nan 8.280 nan 0.000 0.455 265 Q N 3.005 122.961 119.800 0.259 0.000 2.337 265 Q HA 0.309 4.649 4.340 0.000 0.000 0.255 265 Q C -0.909 175.187 176.000 0.160 0.000 0.997 265 Q CA -0.250 55.647 55.803 0.157 0.000 0.925 265 Q CB 0.474 29.280 28.738 0.112 0.000 1.212 265 Q HN 0.537 nan 8.270 nan 0.000 0.436 266 M N 5.682 125.351 119.600 0.115 0.000 2.202 266 M HA 0.201 4.681 4.480 0.000 0.000 0.316 266 M C -1.411 174.894 176.300 0.009 0.000 1.138 266 M CA -2.251 53.081 55.300 0.054 0.000 1.151 266 M CB 0.137 32.759 32.600 0.036 0.000 1.422 266 M HN 0.539 nan 8.290 nan 0.000 0.471 267 P HA -0.142 nan 4.420 nan 0.000 0.218 267 P C 0.323 177.607 177.300 -0.027 0.000 1.149 267 P CA 1.358 64.433 63.100 -0.042 0.000 0.817 267 P CB -0.189 31.464 31.700 -0.079 0.000 0.785 268 D N -1.110 119.275 120.400 -0.024 0.000 2.324 268 D HA 0.098 4.738 4.640 0.000 0.000 0.235 268 D C 1.457 177.754 176.300 -0.005 0.000 1.095 268 D CA 0.458 54.449 54.000 -0.016 0.000 0.871 268 D CB -0.857 39.932 40.800 -0.018 0.000 0.906 268 D HN 0.289 nan 8.370 nan 0.000 0.522 269 G N -0.042 108.759 108.800 0.002 0.000 2.253 269 G HA2 -0.301 3.659 3.960 0.000 0.000 0.251 269 G HA3 -0.301 3.659 3.960 0.000 0.000 0.251 269 G C 0.606 175.516 174.900 0.017 0.000 0.998 269 G CA 0.578 45.684 45.100 0.010 0.000 0.621 269 G HN 0.810 nan 8.290 nan 0.000 0.524 270 T N -0.622 113.941 114.554 0.016 0.000 2.816 270 T HA 0.685 5.035 4.350 0.000 0.000 0.282 270 T C 0.361 175.082 174.700 0.034 0.000 0.993 270 T CA -0.377 61.735 62.100 0.019 0.000 0.994 270 T CB 1.820 70.696 68.868 0.012 0.000 1.025 270 T HN 0.606 nan 8.240 nan 0.000 0.529 271 I N 1.296 121.881 120.570 0.026 0.000 2.389 271 I HA 0.411 4.581 4.170 0.000 0.000 0.288 271 I C 0.475 176.600 176.117 0.015 0.000 0.999 271 I CA -0.902 60.419 61.300 0.035 0.000 1.129 271 I CB 1.612 39.618 38.000 0.011 0.000 1.288 271 I HN 0.521 nan 8.210 nan 0.000 0.444 272 R N 3.704 124.248 120.500 0.073 0.000 2.474 272 R HA 0.712 5.052 4.340 0.000 0.000 0.295 272 R C 0.546 176.837 176.300 -0.016 0.000 0.980 272 R CA 0.109 56.240 56.100 0.051 0.000 0.934 272 R CB 1.742 32.135 30.300 0.155 0.000 1.101 272 R HN 0.921 nan 8.270 nan 0.000 0.469 273 G N 1.901 110.602 108.800 -0.164 0.000 2.512 273 G HA2 -0.271 3.689 3.960 0.000 0.000 0.240 273 G HA3 -0.271 3.689 3.960 0.000 0.000 0.240 273 G C -0.963 173.635 174.900 -0.504 0.000 1.246 273 G CA -0.166 44.779 45.100 -0.259 0.000 0.919 273 G HN 0.604 nan 8.290 nan 0.000 0.577 274 D N 1.786 122.065 120.400 -0.201 0.000 2.393 274 D HA 0.593 5.233 4.640 0.000 0.000 0.232 274 D C 1.511 177.774 176.300 -0.061 0.000 1.192 274 D CA 0.822 54.761 54.000 -0.103 0.000 0.882 274 D CB 0.648 41.671 40.800 0.372 0.000 1.038 274 D HN 0.921 nan 8.370 nan 0.000 0.499 275 A N 3.698 126.454 122.820 -0.108 0.000 2.076 275 A HA -0.128 4.192 4.320 0.000 0.000 0.220 275 A C 1.981 179.589 177.584 0.041 0.000 1.160 275 A CA 1.646 53.666 52.037 -0.028 0.000 0.653 275 A CB -0.243 18.743 19.000 -0.024 0.000 0.801 275 A HN 0.594 nan 8.150 nan 0.000 0.455 276 A N -0.550 122.323 122.820 0.089 0.000 2.239 276 A HA 0.127 4.447 4.320 0.000 0.000 0.209 276 A C 1.732 179.384 177.584 0.113 0.000 1.171 276 A CA 1.737 53.850 52.037 0.127 0.000 0.768 276 A CB -0.741 18.365 19.000 0.175 0.000 0.790 276 A HN 0.825 nan 8.150 nan 0.000 0.478 277 T N -4.168 110.436 114.554 0.083 0.000 3.231 277 T HA 0.365 4.715 4.350 0.000 0.000 0.292 277 T C 1.220 175.945 174.700 0.042 0.000 1.001 277 T CA -0.071 62.075 62.100 0.076 0.000 0.920 277 T CB -0.455 68.456 68.868 0.072 0.000 1.140 277 T HN 0.149 nan 8.240 nan 0.000 0.525 278 L N 0.781 122.020 121.223 0.027 0.000 2.043 278 L HA -0.119 4.221 4.340 0.000 0.000 0.212 278 L C 2.887 179.767 176.870 0.017 0.000 1.075 278 L CA 1.881 56.729 54.840 0.013 0.000 0.752 278 L CB -0.406 41.673 42.059 0.032 0.000 0.891 278 L HN 0.398 nan 8.230 nan 0.000 0.432 279 E N -0.665 119.553 120.200 0.030 0.000 2.006 279 E HA -0.251 4.099 4.350 0.000 0.000 0.192 279 E C 2.057 178.616 176.600 -0.068 0.000 0.993 279 E CA 1.398 57.793 56.400 -0.008 0.000 0.808 279 E CB -0.191 29.518 29.700 0.015 0.000 0.764 279 E HN 0.318 nan 8.360 nan 0.000 0.449 280 F N 1.562 121.382 119.950 -0.217 0.000 2.192 280 F HA -0.241 4.286 4.527 0.000 0.000 0.301 280 F C 2.341 178.020 175.800 -0.201 0.000 1.079 280 F CA 1.610 59.440 58.000 -0.283 0.000 1.303 280 F CB -0.337 38.517 39.000 -0.243 0.000 1.024 280 F HN -0.015 nan 8.300 nan 0.000 0.494 281 T N -0.481 114.021 114.554 -0.086 0.000 2.708 281 T HA -0.263 4.087 4.350 0.000 0.000 0.266 281 T C 1.762 176.404 174.700 -0.096 0.000 1.037 281 T CA 1.614 63.630 62.100 -0.141 0.000 1.146 281 T CB -0.335 68.461 68.868 -0.121 0.000 0.865 281 T HN 0.224 nan 8.240 nan 0.000 0.435 282 Q N 0.769 120.531 119.800 -0.063 0.000 2.061 282 Q HA -0.059 4.281 4.340 0.000 0.000 0.204 282 Q C 2.133 178.069 176.000 -0.106 0.000 0.984 282 Q CA 1.303 57.087 55.803 -0.031 0.000 0.846 282 Q CB -0.854 27.873 28.738 -0.018 0.000 0.902 282 Q HN 0.419 nan 8.270 nan 0.000 0.421 283 L N -0.358 120.728 121.223 -0.229 0.000 2.043 283 L HA -0.216 4.124 4.340 0.000 0.000 0.212 283 L C 2.209 178.911 176.870 -0.281 0.000 1.075 283 L CA 1.900 56.577 54.840 -0.272 0.000 0.752 283 L CB -0.911 40.889 42.059 -0.431 0.000 0.891 283 L HN 0.399 nan 8.230 nan 0.000 0.432 284 C N -0.664 118.392 119.300 -0.406 0.000 2.432 284 C HA -0.138 4.322 4.460 0.000 0.000 0.277 284 C C 2.696 177.693 174.990 0.011 0.000 1.249 284 C CA 0.536 59.369 59.018 -0.308 0.000 1.725 284 C CB -0.867 26.567 27.740 -0.510 0.000 2.028 284 C HN 0.560 nan 8.230 nan 0.000 0.477 285 I N 1.486 122.119 120.570 0.105 0.000 2.151 285 I HA -0.199 3.971 4.170 0.000 0.000 0.243 285 I C 2.124 178.265 176.117 0.040 0.000 1.080 285 I CA 1.929 63.317 61.300 0.147 0.000 1.339 285 I CB -1.560 36.511 38.000 0.118 0.000 1.039 285 I HN 0.381 nan 8.210 nan 0.000 0.409 286 D N 0.982 121.373 120.400 -0.014 0.000 2.149 286 D HA -0.141 4.499 4.640 0.000 0.000 0.198 286 D C 2.074 178.347 176.300 -0.046 0.000 0.990 286 D CA 1.040 55.016 54.000 -0.040 0.000 0.839 286 D CB -0.191 40.570 40.800 -0.065 0.000 0.948 286 D HN 0.357 nan 8.370 nan 0.000 0.460 287 L N -0.436 120.754 121.223 -0.054 0.000 2.645 287 L HA 0.203 4.543 4.340 0.000 0.000 0.235 287 L C 1.139 177.979 176.870 -0.051 0.000 1.150 287 L CA 0.222 55.023 54.840 -0.066 0.000 0.911 287 L CB -0.258 41.730 42.059 -0.119 0.000 1.077 287 L HN 0.089 nan 8.230 nan 0.000 0.438 288 G N -0.788 108.003 108.800 -0.016 0.000 2.140 288 G HA2 -0.280 3.680 3.960 0.000 0.000 0.211 288 G HA3 -0.280 3.680 3.960 0.000 0.000 0.211 288 G C -0.478 174.442 174.900 0.034 0.000 1.013 288 G CA -0.434 44.656 45.100 -0.016 0.000 0.705 288 G HN 0.368 nan 8.290 nan 0.000 0.508 289 W N 1.898 123.128 121.300 -0.118 0.000 2.417 289 W HA 0.717 5.377 4.660 0.000 0.000 0.317 289 W C 0.044 176.515 176.519 -0.080 0.000 1.121 289 W CA -1.346 55.936 57.345 -0.106 0.000 1.208 289 W CB 0.889 30.279 29.460 -0.116 0.000 1.253 289 W HN -0.050 nan 8.180 nan 0.000 0.533 290 K N 7.778 127.656 120.400 -0.871 0.000 2.284 290 K HA 0.236 4.556 4.320 0.000 0.000 0.287 290 K C -2.410 173.348 176.600 -1.404 0.000 1.081 290 K CA -1.886 53.908 56.287 -0.822 0.000 0.910 290 K CB 0.555 32.748 32.500 -0.512 0.000 1.088 290 K HN 0.332 nan 8.250 nan 0.000 0.478 291 P HA 0.246 nan 4.420 nan 0.000 0.276 291 P C -0.110 176.655 177.300 -0.892 0.000 1.243 291 P CA -0.395 62.025 63.100 -1.133 0.000 0.768 291 P CB 0.893 31.992 31.700 -1.002 0.000 0.856 292 R N 1.949 122.099 120.500 -0.584 0.000 2.310 292 R HA 0.117 4.457 4.340 0.000 0.000 0.202 292 R C 0.028 176.190 176.300 -0.231 0.000 0.933 292 R CA -0.235 55.704 56.100 -0.269 0.000 1.054 292 R CB -1.263 29.009 30.300 -0.046 0.000 0.985 292 R HN 0.417 nan 8.270 nan 0.000 0.489 293 Y N -1.280 118.637 120.300 -0.639 0.000 3.001 293 Y HA -0.260 4.290 4.550 0.000 0.000 0.207 293 Y C 0.880 176.697 175.900 -0.139 0.000 1.231 293 Y CA 0.787 58.441 58.100 -0.742 0.000 1.024 293 Y CB -1.743 36.416 38.460 -0.501 0.000 1.267 293 Y HN 0.202 nan 8.280 nan 0.000 0.501 294 G N -0.583 108.357 108.800 0.234 0.000 2.685 294 G HA2 0.572 4.532 3.960 0.000 0.000 0.298 294 G HA3 0.572 4.532 3.960 0.000 0.000 0.298 294 G C 0.456 175.463 174.900 0.179 0.000 1.277 294 G CA -1.035 44.187 45.100 0.203 0.000 0.986 294 G HN 0.227 nan 8.290 nan 0.000 0.487 295 R N -1.168 119.324 120.500 -0.013 0.000 2.193 295 R HA 0.079 4.419 4.340 0.000 0.000 0.213 295 R C -0.052 175.792 176.300 -0.761 0.000 1.055 295 R CA 0.952 56.834 56.100 -0.363 0.000 0.995 295 R CB -0.050 29.929 30.300 -0.536 0.000 0.893 295 R HN 0.388 nan 8.270 nan 0.000 0.459 296 F N 0.609 120.533 119.950 -0.044 0.000 2.623 296 F HA 0.234 4.761 4.527 0.000 0.000 0.361 296 F C -0.851 174.955 175.800 0.010 0.000 1.469 296 F CA -1.168 56.584 58.000 -0.414 0.000 1.126 296 F CB 0.617 39.197 39.000 -0.700 0.000 1.221 296 F HN -0.293 nan 8.300 nan 0.000 0.536 297 D N 1.618 122.208 120.400 0.316 0.000 2.316 297 D HA 0.172 4.812 4.640 0.000 0.000 0.245 297 D C 0.251 176.807 176.300 0.427 0.000 1.171 297 D CA 0.041 54.282 54.000 0.401 0.000 0.856 297 D CB 2.415 43.505 40.800 0.484 0.000 1.090 297 D HN -0.058 nan 8.370 nan 0.000 0.476 298 V N 3.991 124.123 119.914 0.363 0.000 2.485 298 V HA -0.034 4.086 4.120 0.000 0.000 0.287 298 V C 1.052 177.162 176.094 0.028 0.000 1.022 298 V CA -0.185 62.198 62.300 0.138 0.000 1.067 298 V CB -0.020 31.832 31.823 0.048 0.000 0.967 298 V HN 0.346 nan 8.190 nan 0.000 0.479 299 L N 8.782 129.922 121.223 -0.138 0.000 2.482 299 L HA 0.246 4.586 4.340 0.000 0.000 0.273 299 L C -1.638 175.034 176.870 -0.331 0.000 1.228 299 L CA -1.005 53.605 54.840 -0.384 0.000 0.827 299 L CB 0.305 42.212 42.059 -0.254 0.000 1.099 299 L HN 0.479 nan 8.230 nan 0.000 0.494 300 P HA 0.172 nan 4.420 nan 0.000 0.281 300 P C -1.041 176.196 177.300 -0.104 0.000 1.264 300 P CA -0.730 62.197 63.100 -0.289 0.000 0.824 300 P CB 1.145 32.571 31.700 -0.458 0.000 1.092 301 L N 1.425 122.658 121.223 0.017 0.000 2.380 301 L HA 0.162 4.502 4.340 0.000 0.000 0.273 301 L C 0.206 177.132 176.870 0.092 0.000 1.138 301 L CA 0.002 54.907 54.840 0.107 0.000 0.832 301 L CB 0.559 42.739 42.059 0.202 0.000 1.124 301 L HN 0.103 nan 8.230 nan 0.000 0.454 302 V N 5.871 125.860 119.914 0.126 0.000 2.276 302 V HA 0.313 4.433 4.120 0.000 0.000 0.268 302 V C -0.391 175.699 176.094 -0.008 0.000 1.032 302 V CA -0.705 61.600 62.300 0.009 0.000 0.810 302 V CB 1.087 32.930 31.823 0.033 0.000 1.060 302 V HN 0.376 nan 8.190 nan 0.000 0.446 303 L N 4.317 125.548 121.223 0.014 0.000 2.343 303 L HA 0.673 5.013 4.340 0.000 0.000 0.275 303 L C 0.102 176.883 176.870 -0.148 0.000 1.056 303 L CA -0.309 54.528 54.840 -0.005 0.000 0.804 303 L CB 1.492 43.599 42.059 0.081 0.000 1.203 303 L HN 0.809 nan 8.230 nan 0.000 0.440 304 Q N 1.489 121.197 119.800 -0.154 0.000 2.304 304 Q HA 0.889 5.229 4.340 0.000 0.000 0.270 304 Q C -1.462 174.385 176.000 -0.255 0.000 1.035 304 Q CA -0.776 54.897 55.803 -0.217 0.000 0.781 304 Q CB 2.113 30.721 28.738 -0.218 0.000 1.261 304 Q HN 0.683 nan 8.270 nan 0.000 0.444 305 A N 2.507 125.107 122.820 -0.366 0.000 2.337 305 A HA 0.644 4.964 4.320 0.000 0.000 0.331 305 A C 0.070 177.155 177.584 -0.831 0.000 1.137 305 A CA 0.158 51.693 52.037 -0.838 0.000 0.807 305 A CB 0.998 19.699 19.000 -0.499 0.000 1.250 305 A HN 1.019 nan 8.150 nan 0.000 0.468 306 D N 0.198 119.742 120.400 -1.427 0.000 4.570 306 D HA -0.260 4.380 4.640 0.000 0.000 0.219 306 D C 1.136 177.336 176.300 -0.168 0.000 0.595 306 D CA 3.485 57.184 54.000 -0.502 0.000 1.484 306 D CB -1.255 39.416 40.800 -0.214 0.000 0.932 306 D HN 1.297 nan 8.370 nan 0.000 0.407 307 G N -0.456 108.300 108.800 -0.074 0.000 3.193 307 G HA2 0.173 4.133 3.960 0.000 0.000 0.183 307 G HA3 0.173 4.133 3.960 0.000 0.000 0.183 307 G C 0.246 175.158 174.900 0.019 0.000 1.254 307 G CA 0.721 45.833 45.100 0.020 0.000 0.898 307 G HN 0.424 nan 8.290 nan 0.000 0.816 308 Q N 1.611 121.388 119.800 -0.039 0.000 2.624 308 Q HA 0.176 4.516 4.340 0.000 0.000 0.256 308 Q C -0.035 175.935 176.000 -0.051 0.000 1.119 308 Q CA 0.208 55.987 55.803 -0.041 0.000 0.995 308 Q CB 0.325 29.025 28.738 -0.063 0.000 1.318 308 Q HN 0.235 nan 8.270 nan 0.000 0.534 309 D N 2.079 122.439 120.400 -0.066 0.000 2.378 309 D HA 0.131 4.771 4.640 0.000 0.000 0.238 309 D C -2.113 174.002 176.300 -0.309 0.000 1.180 309 D CA -0.754 53.141 54.000 -0.174 0.000 0.895 309 D CB -0.110 40.642 40.800 -0.081 0.000 1.192 309 D HN 0.433 nan 8.370 nan 0.000 0.438 310 P HA 0.154 nan 4.420 nan 0.000 0.276 310 P C -0.721 176.344 177.300 -0.392 0.000 1.230 310 P CA -0.130 62.595 63.100 -0.625 0.000 0.776 310 P CB 1.021 31.943 31.700 -1.298 0.000 0.888 311 E N 0.933 120.952 120.200 -0.301 0.000 2.202 311 E HA 0.380 4.730 4.350 0.000 0.000 0.272 311 E C -0.639 175.674 176.600 -0.480 0.000 0.951 311 E CA -1.184 54.993 56.400 -0.372 0.000 0.813 311 E CB 1.762 31.230 29.700 -0.387 0.000 1.151 311 E HN 0.170 nan 8.360 nan 0.000 0.398 312 V N 3.599 123.181 119.914 -0.555 0.000 2.383 312 V HA 0.272 4.392 4.120 0.000 0.000 0.275 312 V C -0.795 174.885 176.094 -0.690 0.000 1.036 312 V CA -0.335 61.692 62.300 -0.456 0.000 0.889 312 V CB -0.180 31.487 31.823 -0.260 0.000 0.985 312 V HN 0.496 nan 8.190 nan 0.000 0.459 313 F N 2.479 122.247 119.950 -0.304 0.000 2.449 313 F HA 0.450 4.977 4.527 0.000 0.000 0.342 313 F C 0.451 176.051 175.800 -0.332 0.000 1.127 313 F CA -0.633 57.038 58.000 -0.547 0.000 0.975 313 F CB 1.484 39.814 39.000 -1.116 0.000 1.146 313 F HN 0.445 nan 8.300 nan 0.000 0.444 314 E N 3.340 123.517 120.200 -0.038 0.000 2.354 314 E HA 0.363 4.713 4.350 0.000 0.000 0.269 314 E C -0.539 176.191 176.600 0.218 0.000 1.036 314 E CA -0.399 56.073 56.400 0.121 0.000 0.876 314 E CB 0.885 30.701 29.700 0.193 0.000 1.009 314 E HN 0.488 nan 8.360 nan 0.000 0.416 315 I N 5.842 126.548 120.570 0.227 0.000 2.416 315 I HA 0.156 4.326 4.170 0.000 0.000 0.288 315 I C -1.989 174.258 176.117 0.217 0.000 1.051 315 I CA -2.159 59.302 61.300 0.269 0.000 1.375 315 I CB 0.769 38.861 38.000 0.154 0.000 1.407 315 I HN 0.335 nan 8.210 nan 0.000 0.516 316 P HA 0.057 nan 4.420 nan 0.000 0.260 316 P C -2.007 175.357 177.300 0.107 0.000 1.207 316 P CA -0.787 62.404 63.100 0.151 0.000 0.780 316 P CB 0.089 31.856 31.700 0.112 0.000 0.789 317 P HA -0.249 nan 4.420 nan 0.000 0.218 317 P C 0.983 178.326 177.300 0.070 0.000 1.152 317 P CA 1.439 64.595 63.100 0.092 0.000 0.857 317 P CB -0.034 31.722 31.700 0.093 0.000 0.787 318 D N -0.997 119.439 120.400 0.060 0.000 2.221 318 D HA -0.112 4.528 4.640 0.000 0.000 0.204 318 D C 1.755 178.078 176.300 0.039 0.000 0.982 318 D CA 1.018 55.045 54.000 0.044 0.000 0.857 318 D CB -0.230 40.591 40.800 0.035 0.000 0.934 318 D HN 0.274 nan 8.370 nan 0.000 0.475 319 L N 0.495 121.744 121.223 0.042 0.000 2.492 319 L HA 0.025 4.365 4.340 0.000 0.000 0.223 319 L C 0.632 177.529 176.870 0.046 0.000 1.132 319 L CA 0.138 55.000 54.840 0.037 0.000 0.850 319 L CB 0.360 42.435 42.059 0.026 0.000 0.966 319 L HN -0.223 nan 8.230 nan 0.000 0.454 320 V N 2.295 122.240 119.914 0.052 0.000 2.304 320 V HA 0.134 4.255 4.120 0.000 0.000 0.262 320 V C 0.093 176.226 176.094 0.066 0.000 1.061 320 V CA -0.487 61.846 62.300 0.055 0.000 0.872 320 V CB 0.996 32.849 31.823 0.050 0.000 1.077 320 V HN 0.066 nan 8.190 nan 0.000 0.480 321 L N 5.599 126.863 121.223 0.069 0.000 2.367 321 L HA 0.444 4.784 4.340 0.000 0.000 0.275 321 L C 0.177 177.084 176.870 0.062 0.000 1.129 321 L CA 0.812 55.683 54.840 0.052 0.000 0.839 321 L CB 0.450 42.534 42.059 0.042 0.000 1.133 321 L HN 0.662 nan 8.230 nan 0.000 0.453 322 E N 3.412 123.624 120.200 0.020 0.000 2.336 322 E HA 0.584 4.934 4.350 0.000 0.000 0.267 322 E C -1.487 175.044 176.600 -0.115 0.000 0.906 322 E CA -1.064 55.339 56.400 0.004 0.000 0.781 322 E CB 2.485 32.218 29.700 0.056 0.000 1.261 322 E HN 0.368 nan 8.360 nan 0.000 0.436 323 V N 1.648 121.445 119.914 -0.195 0.000 2.448 323 V HA 0.287 4.407 4.120 0.000 0.000 0.295 323 V C -0.099 175.910 176.094 -0.143 0.000 1.025 323 V CA -0.733 61.383 62.300 -0.306 0.000 0.859 323 V CB 1.683 33.036 31.823 -0.783 0.000 0.988 323 V HN 0.839 nan 8.190 nan 0.000 0.431 324 T N 3.592 118.086 114.554 -0.100 0.000 2.856 324 T HA 0.570 4.920 4.350 0.000 0.000 0.292 324 T C -0.174 174.540 174.700 0.023 0.000 0.980 324 T CA -0.814 61.263 62.100 -0.038 0.000 1.091 324 T CB 0.949 69.800 68.868 -0.027 0.000 0.936 324 T HN 0.311 nan 8.240 nan 0.000 0.503 325 M N 3.669 123.336 119.600 0.111 0.000 2.185 325 M HA 0.359 4.839 4.480 0.000 0.000 0.357 325 M C 0.325 176.797 176.300 0.287 0.000 1.260 325 M CA -0.167 55.269 55.300 0.226 0.000 1.124 325 M CB 0.221 33.075 32.600 0.424 0.000 1.600 325 M HN 0.960 nan 8.290 nan 0.000 0.467 326 E N 1.551 121.870 120.200 0.198 0.000 2.335 326 E HA 0.346 4.696 4.350 0.000 0.000 0.280 326 E C -1.325 175.299 176.600 0.040 0.000 0.918 326 E CA -0.837 55.691 56.400 0.215 0.000 0.765 326 E CB 1.856 31.660 29.700 0.174 0.000 1.218 326 E HN 0.628 nan 8.360 nan 0.000 0.425 327 H N 3.894 122.860 119.070 -0.173 0.000 2.548 327 H HA 0.186 4.742 4.556 0.000 0.000 0.331 327 H C -1.609 173.528 175.328 -0.317 0.000 1.093 327 H CA -2.018 53.815 56.048 -0.359 0.000 1.367 327 H CB 1.762 31.291 29.762 -0.388 0.000 1.455 327 H HN 0.457 nan 8.280 nan 0.000 0.519 328 P HA -0.088 nan 4.420 nan 0.000 0.225 328 P C 0.549 177.765 177.300 -0.141 0.000 1.148 328 P CA 1.062 63.759 63.100 -0.671 0.000 0.779 328 P CB 0.836 31.957 31.700 -0.965 0.000 0.780 329 K N -1.403 119.128 120.400 0.218 0.000 2.354 329 K HA 0.171 4.491 4.320 0.000 0.000 0.210 329 K C 0.297 176.787 176.600 -0.184 0.000 1.184 329 K CA 0.356 56.624 56.287 -0.033 0.000 0.880 329 K CB -0.386 32.014 32.500 -0.168 0.000 1.328 329 K HN -0.035 nan 8.250 nan 0.000 0.466 330 Y N 2.496 122.610 120.300 -0.309 0.000 2.480 330 Y HA 0.091 4.641 4.550 0.000 0.000 0.341 330 Y C 0.815 176.443 175.900 -0.453 0.000 1.031 330 Y CA 0.113 57.861 58.100 -0.587 0.000 1.295 330 Y CB 0.533 38.198 38.460 -1.324 0.000 1.162 330 Y HN 0.138 nan 8.280 nan 0.000 0.523 331 E N 3.460 123.596 120.200 -0.108 0.000 2.481 331 E HA -0.093 4.257 4.350 0.000 0.000 0.195 331 E C 0.978 177.625 176.600 0.077 0.000 1.047 331 E CA 0.354 56.761 56.400 0.011 0.000 0.867 331 E CB 0.036 29.773 29.700 0.061 0.000 0.858 331 E HN 0.878 nan 8.360 nan 0.000 0.513 332 W N -0.580 120.827 121.300 0.178 0.000 3.256 332 W HA 0.103 4.763 4.660 0.000 0.000 0.269 332 W C 1.017 177.593 176.519 0.094 0.000 1.310 332 W CA -0.410 57.002 57.345 0.111 0.000 1.673 332 W CB -0.678 28.829 29.460 0.077 0.000 1.115 332 W HN -0.036 nan 8.180 nan 0.000 0.686 333 F N 3.214 122.969 119.950 -0.324 0.000 2.113 333 F HA -0.234 4.293 4.527 0.000 0.000 0.297 333 F C 3.010 178.821 175.800 0.017 0.000 1.103 333 F CA 2.917 60.774 58.000 -0.239 0.000 1.248 333 F CB -0.547 38.265 39.000 -0.312 0.000 0.999 333 F HN -0.042 nan 8.300 nan 0.000 0.475 334 Q N 0.266 120.204 119.800 0.230 0.000 2.439 334 Q HA -0.215 4.125 4.340 0.000 0.000 0.211 334 Q C 1.474 177.532 176.000 0.096 0.000 0.978 334 Q CA 1.677 57.584 55.803 0.173 0.000 0.897 334 Q CB -0.495 28.336 28.738 0.155 0.000 0.956 334 Q HN 0.564 nan 8.270 nan 0.000 0.483 335 E N -0.141 120.123 120.200 0.107 0.000 2.347 335 E HA -0.091 4.259 4.350 0.000 0.000 0.196 335 E C 1.111 177.741 176.600 0.048 0.000 1.008 335 E CA 0.179 56.639 56.400 0.100 0.000 0.852 335 E CB 0.233 30.029 29.700 0.159 0.000 0.783 335 E HN 0.333 nan 8.360 nan 0.000 0.505 336 L N -0.218 120.990 121.223 -0.024 0.000 2.552 336 L HA 0.072 4.412 4.340 0.000 0.000 0.227 336 L C 1.233 178.090 176.870 -0.022 0.000 1.146 336 L CA 0.929 55.718 54.840 -0.085 0.000 0.858 336 L CB -0.984 40.892 42.059 -0.305 0.000 0.969 336 L HN 0.103 nan 8.230 nan 0.000 0.451 337 G N 0.622 109.431 108.800 0.016 0.000 2.370 337 G HA2 -0.253 3.707 3.960 0.000 0.000 0.293 337 G HA3 -0.253 3.707 3.960 0.000 0.000 0.293 337 G C -0.218 174.731 174.900 0.081 0.000 0.992 337 G CA 0.060 45.197 45.100 0.062 0.000 1.247 337 G HN 0.138 nan 8.290 nan 0.000 0.505 338 L N 0.060 121.283 121.223 0.001 0.000 2.330 338 L HA 0.956 5.296 4.340 0.000 0.000 0.271 338 L C 0.322 177.106 176.870 -0.143 0.000 1.013 338 L CA -0.716 54.082 54.840 -0.070 0.000 0.816 338 L CB 1.956 43.915 42.059 -0.168 0.000 1.287 338 L HN 0.740 nan 8.230 nan 0.000 0.435 339 K N 0.550 120.734 120.400 -0.361 0.000 2.614 339 K HA 0.581 4.901 4.320 0.000 0.000 0.293 339 K C -1.912 174.738 176.600 0.083 0.000 1.045 339 K CA -0.994 55.186 56.287 -0.178 0.000 0.880 339 K CB 1.856 34.156 32.500 -0.335 0.000 1.552 339 K HN 0.482 nan 8.250 nan 0.000 0.404 340 W N 1.525 122.796 121.300 -0.048 0.000 3.275 340 W HA 0.283 4.943 4.660 0.000 0.000 0.306 340 W C -1.303 175.255 176.519 0.066 0.000 1.259 340 W CA -0.740 56.659 57.345 0.090 0.000 1.194 340 W CB 1.380 30.769 29.460 -0.120 0.000 1.375 340 W HN 0.681 nan 8.180 nan 0.000 0.564 341 Y N 1.172 121.380 120.300 -0.153 0.000 2.426 341 Y HA 0.472 5.022 4.550 0.000 0.000 0.344 341 Y C 0.770 176.857 175.900 0.312 0.000 1.256 341 Y CA 0.263 58.350 58.100 -0.023 0.000 1.451 341 Y CB 0.018 38.335 38.460 -0.239 0.000 1.342 341 Y HN 0.328 nan 8.280 nan 0.000 0.600 342 A N 1.828 124.878 122.820 0.384 0.000 2.220 342 A HA 0.220 4.540 4.320 0.000 0.000 0.211 342 A C 0.155 178.061 177.584 0.536 0.000 1.176 342 A CA -0.059 52.275 52.037 0.494 0.000 0.834 342 A CB -0.152 18.997 19.000 0.249 0.000 0.868 342 A HN 0.626 nan 8.150 nan 0.000 0.488 343 L N 2.104 123.605 121.223 0.464 0.000 2.264 343 L HA 0.453 4.793 4.340 0.000 0.000 0.287 343 L C -2.638 174.377 176.870 0.241 0.000 1.039 343 L CA -2.157 52.866 54.840 0.304 0.000 0.829 343 L CB 1.575 43.756 42.059 0.203 0.000 1.211 343 L HN -0.057 nan 8.230 nan 0.000 0.427 344 P HA 0.429 nan 4.420 nan 0.000 0.294 344 P C -1.526 175.699 177.300 -0.126 0.000 1.389 344 P CA -0.342 62.608 63.100 -0.250 0.000 0.875 344 P CB 1.423 32.631 31.700 -0.820 0.000 1.018 345 A N 4.066 126.831 122.820 -0.091 0.000 2.375 345 A HA 0.481 4.801 4.320 0.000 0.000 0.295 345 A C -0.573 176.869 177.584 -0.236 0.000 1.066 345 A CA -0.703 51.244 52.037 -0.150 0.000 0.722 345 A CB 1.434 20.345 19.000 -0.148 0.000 1.206 345 A HN 0.289 nan 8.150 nan 0.000 0.435 346 V N 2.293 121.978 119.914 -0.382 0.000 2.530 346 V HA 0.415 4.535 4.120 0.000 0.000 0.282 346 V C 1.204 176.948 176.094 -0.583 0.000 1.048 346 V CA 0.979 62.992 62.300 -0.478 0.000 0.997 346 V CB 1.270 32.742 31.823 -0.585 0.000 0.987 346 V HN 1.177 nan 8.190 nan 0.000 0.477 347 A N 4.147 126.754 122.820 -0.354 0.000 2.108 347 A HA 0.096 4.416 4.320 0.000 0.000 0.206 347 A C 1.300 178.783 177.584 -0.168 0.000 1.212 347 A CA 0.513 52.397 52.037 -0.256 0.000 0.843 347 A CB -0.092 18.814 19.000 -0.157 0.000 0.902 347 A HN 0.911 nan 8.150 nan 0.000 0.477 348 N N -1.016 117.596 118.700 -0.147 0.000 2.320 348 N HA 0.298 5.038 4.740 0.000 0.000 0.237 348 N C 0.067 175.569 175.510 -0.012 0.000 1.129 348 N CA -0.217 52.795 53.050 -0.063 0.000 0.854 348 N CB 0.164 38.612 38.487 -0.064 0.000 1.083 348 N HN 0.325 nan 8.380 nan 0.000 0.504 349 M N 1.071 120.659 119.600 -0.021 0.000 2.494 349 M HA 0.388 4.868 4.480 0.000 0.000 0.300 349 M C -0.631 175.797 176.300 0.214 0.000 1.189 349 M CA -0.838 54.543 55.300 0.134 0.000 0.982 349 M CB 2.144 34.858 32.600 0.190 0.000 1.534 349 M HN 0.136 nan 8.290 nan 0.000 0.488 350 L N 2.114 123.520 121.223 0.306 0.000 2.341 350 L HA 0.557 4.897 4.340 0.000 0.000 0.278 350 L C -1.574 175.541 176.870 0.408 0.000 1.005 350 L CA -1.040 53.991 54.840 0.319 0.000 0.818 350 L CB 1.554 43.755 42.059 0.237 0.000 1.259 350 L HN 0.579 nan 8.230 nan 0.000 0.418 351 L N 4.971 126.426 121.223 0.387 0.000 2.255 351 L HA 0.438 4.778 4.340 0.000 0.000 0.289 351 L C -0.341 176.678 176.870 0.249 0.000 1.046 351 L CA 0.272 55.265 54.840 0.256 0.000 0.816 351 L CB 0.979 43.151 42.059 0.188 0.000 1.197 351 L HN 0.584 nan 8.230 nan 0.000 0.427 352 E N 4.813 125.127 120.200 0.190 0.000 2.197 352 E HA 0.495 4.845 4.350 0.000 0.000 0.281 352 E C -1.747 174.887 176.600 0.056 0.000 0.995 352 E CA -0.283 56.206 56.400 0.148 0.000 0.808 352 E CB 1.721 31.538 29.700 0.195 0.000 1.093 352 E HN 0.526 nan 8.360 nan 0.000 0.394 353 V N 3.175 123.095 119.914 0.010 0.000 2.852 353 V HA 0.456 4.576 4.120 0.000 0.000 0.300 353 V C 0.318 176.310 176.094 -0.171 0.000 1.205 353 V CA 0.425 62.632 62.300 -0.154 0.000 0.940 353 V CB 1.403 33.034 31.823 -0.320 0.000 1.047 353 V HN 0.858 nan 8.190 nan 0.000 0.429 354 G N 4.203 112.931 108.800 -0.120 0.000 2.321 354 G HA2 0.051 4.011 3.960 0.000 0.000 0.287 354 G HA3 0.051 4.011 3.960 0.000 0.000 0.287 354 G C 1.691 176.752 174.900 0.268 0.000 1.018 354 G CA 1.534 46.735 45.100 0.168 0.000 0.855 354 G HN 2.760 nan 8.290 nan 0.000 0.507 355 G N -2.104 106.793 108.800 0.163 0.000 2.253 355 G HA2 -0.244 3.716 3.960 0.000 0.000 0.251 355 G HA3 -0.244 3.716 3.960 0.000 0.000 0.251 355 G C 0.537 175.505 174.900 0.115 0.000 0.998 355 G CA 0.626 45.860 45.100 0.224 0.000 0.621 355 G HN 1.302 nan 8.290 nan 0.000 0.524 356 L N 1.067 122.319 121.223 0.049 0.000 2.421 356 L HA 0.677 5.017 4.340 0.000 0.000 0.263 356 L C 0.469 177.258 176.870 -0.136 0.000 1.122 356 L CA -0.551 54.219 54.840 -0.116 0.000 0.804 356 L CB 1.079 42.972 42.059 -0.277 0.000 1.150 356 L HN 0.497 nan 8.230 nan 0.000 0.457 357 E N 1.107 121.143 120.200 -0.273 0.000 2.278 357 E HA 0.414 4.764 4.350 0.000 0.000 0.272 357 E C -1.690 174.755 176.600 -0.258 0.000 0.890 357 E CA -0.631 55.687 56.400 -0.137 0.000 0.770 357 E CB 1.387 31.050 29.700 -0.061 0.000 1.212 357 E HN 0.204 nan 8.360 nan 0.000 0.415 358 F N 3.450 123.417 119.950 0.029 0.000 2.308 358 F HA 0.303 4.830 4.527 0.000 0.000 0.370 358 F C -1.567 174.300 175.800 0.111 0.000 1.100 358 F CA -2.580 55.457 58.000 0.061 0.000 1.108 358 F CB 1.512 40.542 39.000 0.050 0.000 1.293 358 F HN 0.380 nan 8.300 nan 0.000 0.478 359 P HA 0.054 nan 4.420 nan 0.000 0.245 359 P C -0.172 177.261 177.300 0.222 0.000 1.212 359 P CA 0.525 63.743 63.100 0.198 0.000 0.774 359 P CB 0.464 32.247 31.700 0.138 0.000 0.999 360 A N 0.373 123.368 122.820 0.292 0.000 2.499 360 A HA 0.535 4.855 4.320 0.000 0.000 0.280 360 A C -0.194 177.614 177.584 0.373 0.000 1.135 360 A CA -0.420 51.805 52.037 0.312 0.000 0.744 360 A CB 0.184 19.385 19.000 0.335 0.000 1.213 360 A HN 0.267 nan 8.150 nan 0.000 0.434 361 C N 0.834 120.282 119.300 0.247 0.000 3.253 361 C HA 0.466 4.926 4.460 0.000 0.000 0.230 361 C C -2.814 172.189 174.990 0.022 0.000 1.124 361 C CA -1.493 57.627 59.018 0.170 0.000 1.143 361 C CB -0.279 27.587 27.740 0.211 0.000 1.794 361 C HN 0.587 nan 8.230 nan 0.000 0.617 362 P HA 0.333 nan 4.420 nan 0.000 0.265 362 P C -0.615 176.555 177.300 -0.217 0.000 1.193 362 P CA 1.004 63.927 63.100 -0.295 0.000 0.765 362 P CB 0.541 32.110 31.700 -0.219 0.000 0.823 363 F N 0.376 120.231 119.950 -0.158 0.000 2.629 363 F HA 0.701 5.228 4.527 0.000 0.000 0.316 363 F C -0.641 175.050 175.800 -0.181 0.000 1.081 363 F CA -1.349 56.567 58.000 -0.140 0.000 0.954 363 F CB 1.507 40.287 39.000 -0.367 0.000 1.337 363 F HN 0.389 nan 8.300 nan 0.000 0.474 364 N N -0.419 118.375 118.700 0.158 0.000 2.591 364 N HA 0.695 5.435 4.740 0.000 0.000 0.263 364 N C -1.276 174.144 175.510 -0.151 0.000 1.308 364 N CA -0.396 52.666 53.050 0.021 0.000 0.837 364 N CB 1.951 40.503 38.487 0.109 0.000 1.548 364 N HN 1.085 nan 8.380 nan 0.000 0.493 365 G N -0.760 107.912 108.800 -0.214 0.000 3.259 365 G HA2 0.701 4.661 3.960 0.000 0.000 0.178 365 G HA3 0.701 4.661 3.960 0.000 0.000 0.178 365 G C -1.701 173.117 174.900 -0.138 0.000 1.129 365 G CA -0.710 44.166 45.100 -0.372 0.000 0.816 365 G HN 0.701 nan 8.290 nan 0.000 0.634 366 W N -1.888 119.381 121.300 -0.051 0.000 2.929 366 W HA 0.819 5.479 4.660 0.000 0.000 0.345 366 W C -1.376 175.102 176.519 -0.069 0.000 1.151 366 W CA -2.114 55.215 57.345 -0.026 0.000 1.111 366 W CB 0.348 29.830 29.460 0.036 0.000 1.449 366 W HN 0.409 nan 8.180 nan 0.000 0.572 367 Y N 1.951 122.399 120.300 0.246 0.000 2.357 367 Y HA 0.313 4.863 4.550 0.000 0.000 0.340 367 Y C 0.642 176.536 175.900 -0.009 0.000 1.260 367 Y CA -0.637 57.470 58.100 0.013 0.000 1.425 367 Y CB 1.060 39.405 38.460 -0.190 0.000 1.326 367 Y HN 0.375 nan 8.280 nan 0.000 0.580 368 M N 1.945 121.650 119.600 0.176 0.000 2.181 368 M HA 0.325 4.805 4.480 0.000 0.000 0.323 368 M C 0.995 177.223 176.300 -0.121 0.000 1.004 368 M CA -0.275 55.045 55.300 0.033 0.000 0.941 368 M CB 1.368 33.978 32.600 0.018 0.000 1.579 368 M HN 0.868 nan 8.290 nan 0.000 0.427 369 G N 1.897 110.577 108.800 -0.201 0.000 2.679 369 G HA2 -0.363 3.597 3.960 0.000 0.000 0.222 369 G HA3 -0.363 3.597 3.960 0.000 0.000 0.222 369 G C 1.119 175.809 174.900 -0.349 0.000 1.164 369 G CA 2.137 47.051 45.100 -0.311 0.000 0.769 369 G HN 0.862 nan 8.290 nan 0.000 0.610 370 T N -0.900 113.457 114.554 -0.329 0.000 2.897 370 T HA -0.051 4.299 4.350 0.000 0.000 0.271 370 T C 1.919 176.407 174.700 -0.353 0.000 1.084 370 T CA 1.721 63.587 62.100 -0.390 0.000 1.123 370 T CB -0.286 68.275 68.868 -0.512 0.000 0.865 370 T HN 0.578 nan 8.240 nan 0.000 0.496 371 E N 0.873 120.885 120.200 -0.312 0.000 2.077 371 E HA -0.030 4.320 4.350 0.000 0.000 0.193 371 E C 2.101 178.400 176.600 -0.502 0.000 0.989 371 E CA 1.382 57.613 56.400 -0.281 0.000 0.800 371 E CB -0.253 29.414 29.700 -0.055 0.000 0.746 371 E HN 0.589 nan 8.360 nan 0.000 0.452 372 I N 0.324 120.434 120.570 -0.768 0.000 2.296 372 I HA -0.056 4.114 4.170 0.000 0.000 0.242 372 I C 2.608 178.048 176.117 -1.130 0.000 1.087 372 I CA 0.887 61.431 61.300 -1.260 0.000 1.393 372 I CB -0.519 36.629 38.000 -1.421 0.000 1.093 372 I HN 0.109 nan 8.210 nan 0.000 0.421 373 G N 0.598 108.987 108.800 -0.685 0.000 2.422 373 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 373 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 373 G C 1.577 176.367 174.900 -0.182 0.000 1.146 373 G CA 1.158 46.065 45.100 -0.322 0.000 0.769 373 G HN 0.245 nan 8.290 nan 0.000 0.547 374 V N -0.109 119.650 119.914 -0.258 0.000 2.627 374 V HA 0.105 4.225 4.120 0.000 0.000 0.239 374 V C 2.749 178.753 176.094 -0.151 0.000 1.077 374 V CA 0.749 62.946 62.300 -0.172 0.000 1.103 374 V CB -0.224 31.473 31.823 -0.210 0.000 0.802 374 V HN 0.104 nan 8.190 nan 0.000 0.482 375 R N 0.798 121.168 120.500 -0.216 0.000 2.052 375 R HA -0.042 4.298 4.340 0.000 0.000 0.226 375 R C 1.958 178.183 176.300 -0.124 0.000 1.145 375 R CA 1.577 57.581 56.100 -0.160 0.000 0.952 375 R CB -0.987 29.205 30.300 -0.181 0.000 0.847 375 R HN 0.479 nan 8.270 nan 0.000 0.431 376 D N 0.235 120.451 120.400 -0.307 0.000 2.144 376 D HA -0.106 4.534 4.640 0.000 0.000 0.200 376 D C 1.747 178.079 176.300 0.053 0.000 0.978 376 D CA 1.054 54.871 54.000 -0.305 0.000 0.833 376 D CB -0.104 40.007 40.800 -1.148 0.000 0.961 376 D HN 0.110 nan 8.370 nan 0.000 0.470 377 F N -0.070 119.787 119.950 -0.156 0.000 2.530 377 F HA 0.096 4.623 4.527 0.000 0.000 0.292 377 F C 2.134 177.972 175.800 0.063 0.000 1.109 377 F CA -0.440 57.560 58.000 0.000 0.000 1.450 377 F CB -0.491 38.494 39.000 -0.025 0.000 1.114 377 F HN 0.006 nan 8.300 nan 0.000 0.560 378 C N -1.049 118.369 119.300 0.197 0.000 3.070 378 C HA 0.226 4.686 4.460 0.000 0.000 0.280 378 C C 0.445 175.488 174.990 0.088 0.000 1.264 378 C CA -0.652 58.442 59.018 0.127 0.000 1.690 378 C CB -0.657 27.122 27.740 0.065 0.000 2.049 378 C HN 0.045 nan 8.230 nan 0.000 0.636 379 D N 1.232 121.685 120.400 0.089 0.000 2.414 379 D HA 0.114 4.754 4.640 0.000 0.000 0.242 379 D C 1.284 177.644 176.300 0.099 0.000 1.129 379 D CA 0.567 54.612 54.000 0.074 0.000 0.885 379 D CB 1.086 41.929 40.800 0.070 0.000 1.198 379 D HN 0.085 nan 8.370 nan 0.000 0.437 380 T N 1.130 115.732 114.554 0.081 0.000 2.821 380 T HA -0.168 4.182 4.350 0.000 0.000 0.267 380 T C 1.576 176.324 174.700 0.080 0.000 1.046 380 T CA 0.948 63.096 62.100 0.080 0.000 1.139 380 T CB -0.010 68.899 68.868 0.068 0.000 0.871 380 T HN 0.501 nan 8.240 nan 0.000 0.454 381 Q N 0.825 120.679 119.800 0.089 0.000 2.482 381 Q HA 0.069 4.410 4.340 0.000 0.000 0.209 381 Q C 0.839 176.898 176.000 0.098 0.000 0.961 381 Q CA 0.438 56.296 55.803 0.092 0.000 0.945 381 Q CB 0.145 28.953 28.738 0.115 0.000 1.012 381 Q HN 0.325 nan 8.270 nan 0.000 0.515 382 R N -0.510 120.061 120.500 0.118 0.000 3.322 382 R HA 0.260 4.600 4.340 0.000 0.000 0.189 382 R C 1.469 177.833 176.300 0.106 0.000 1.510 382 R CA -0.646 55.554 56.100 0.166 0.000 0.827 382 R CB -1.063 29.413 30.300 0.292 0.000 1.856 382 R HN -0.005 nan 8.270 nan 0.000 0.497 383 Y N 1.429 121.859 120.300 0.218 0.000 2.333 383 Y HA -0.172 4.378 4.550 0.000 0.000 0.290 383 Y C 0.792 176.768 175.900 0.127 0.000 1.144 383 Y CA 1.420 59.638 58.100 0.197 0.000 1.228 383 Y CB -0.478 38.172 38.460 0.317 0.000 0.985 383 Y HN 0.576 nan 8.280 nan 0.000 0.542 384 N N 0.290 119.141 118.700 0.251 0.000 2.667 384 N HA -0.221 4.519 4.740 0.000 0.000 0.263 384 N C 0.106 175.698 175.510 0.136 0.000 1.038 384 N CA 0.779 53.927 53.050 0.162 0.000 0.749 384 N CB -1.272 37.279 38.487 0.108 0.000 0.892 384 N HN 0.633 nan 8.380 nan 0.000 0.546 385 I N -2.432 118.224 120.570 0.144 0.000 3.928 385 I HA 0.174 4.344 4.170 0.000 0.000 0.335 385 I C 1.554 177.738 176.117 0.112 0.000 1.325 385 I CA -0.542 60.809 61.300 0.085 0.000 1.107 385 I CB -0.077 37.921 38.000 -0.003 0.000 1.014 385 I HN 0.293 nan 8.210 nan 0.000 0.400 386 L N 1.464 122.779 121.223 0.154 0.000 1.994 386 L HA -0.208 4.132 4.340 0.000 0.000 0.208 386 L C 2.670 179.735 176.870 0.326 0.000 1.071 386 L CA 2.226 57.191 54.840 0.210 0.000 0.745 386 L CB -0.083 42.070 42.059 0.155 0.000 0.892 386 L HN 0.455 nan 8.230 nan 0.000 0.431 387 E N 0.313 120.678 120.200 0.275 0.000 2.070 387 E HA -0.341 4.009 4.350 0.000 0.000 0.197 387 E C 1.895 178.495 176.600 0.000 0.000 1.004 387 E CA 1.966 58.456 56.400 0.151 0.000 0.805 387 E CB -0.117 29.629 29.700 0.076 0.000 0.744 387 E HN 0.466 nan 8.360 nan 0.000 0.451 388 E N -0.174 120.034 120.200 0.013 0.000 2.077 388 E HA -0.128 4.222 4.350 0.000 0.000 0.193 388 E C 1.991 178.555 176.600 -0.061 0.000 0.989 388 E CA 1.674 58.045 56.400 -0.049 0.000 0.800 388 E CB -0.375 29.303 29.700 -0.037 0.000 0.746 388 E HN 0.228 nan 8.360 nan 0.000 0.452 389 V N 0.404 120.346 119.914 0.047 0.000 2.515 389 V HA -0.108 4.012 4.120 0.000 0.000 0.250 389 V C 2.267 178.417 176.094 0.094 0.000 1.058 389 V CA 1.710 64.089 62.300 0.132 0.000 1.064 389 V CB -0.919 31.048 31.823 0.240 0.000 0.675 389 V HN 0.511 nan 8.190 nan 0.000 0.461 390 G N -0.005 108.867 108.800 0.121 0.000 2.418 390 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 390 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 390 G C 1.754 176.579 174.900 -0.125 0.000 1.158 390 G CA 0.689 45.845 45.100 0.093 0.000 0.771 390 G HN 0.426 nan 8.290 nan 0.000 0.545 391 R N -0.014 120.351 120.500 -0.224 0.000 2.070 391 R HA 0.037 4.377 4.340 0.000 0.000 0.233 391 R C 2.715 178.833 176.300 -0.304 0.000 1.137 391 R CA 1.124 57.067 56.100 -0.262 0.000 0.945 391 R CB -0.294 29.856 30.300 -0.251 0.000 0.845 391 R HN 0.201 nan 8.270 nan 0.000 0.430 392 R N 0.125 120.344 120.500 -0.469 0.000 2.241 392 R HA -0.051 4.289 4.340 0.000 0.000 0.224 392 R C 1.825 177.764 176.300 -0.603 0.000 1.101 392 R CA 0.975 56.548 56.100 -0.877 0.000 0.995 392 R CB -0.092 29.089 30.300 -1.864 0.000 0.870 392 R HN 0.317 nan 8.270 nan 0.000 0.463 393 M N -0.877 118.600 119.600 -0.205 0.000 2.509 393 M HA 0.118 4.598 4.480 0.000 0.000 0.250 393 M C 0.708 177.044 176.300 0.060 0.000 1.132 393 M CA 0.478 55.833 55.300 0.091 0.000 1.080 393 M CB 0.803 33.488 32.600 0.142 0.000 1.408 393 M HN 0.344 nan 8.290 nan 0.000 0.484 394 G N 1.815 110.585 108.800 -0.051 0.000 2.225 394 G HA2 -0.200 3.760 3.960 0.000 0.000 0.264 394 G HA3 -0.200 3.760 3.960 0.000 0.000 0.264 394 G C -0.505 174.382 174.900 -0.022 0.000 1.060 394 G CA -0.324 44.751 45.100 -0.042 0.000 0.833 394 G HN 0.237 nan 8.290 nan 0.000 0.498 395 L N -0.320 120.876 121.223 -0.045 0.000 2.375 395 L HA 0.491 4.831 4.340 0.000 0.000 0.268 395 L C 0.969 177.752 176.870 -0.145 0.000 1.058 395 L CA -0.855 53.971 54.840 -0.023 0.000 0.803 395 L CB 0.909 43.021 42.059 0.089 0.000 1.212 395 L HN 0.290 nan 8.230 nan 0.000 0.451 396 E N 0.443 120.591 120.200 -0.087 0.000 1.999 396 E HA 0.018 4.368 4.350 0.000 0.000 0.296 396 E C 0.617 176.977 176.600 -0.400 0.000 1.187 396 E CA -0.006 56.315 56.400 -0.131 0.000 1.229 396 E CB -0.195 29.506 29.700 0.002 0.000 1.131 396 E HN 0.539 nan 8.360 nan 0.000 0.478 397 T N 0.778 114.874 114.554 -0.764 0.000 2.969 397 T HA -0.158 4.192 4.350 0.000 0.000 0.271 397 T C 0.781 174.826 174.700 -1.093 0.000 1.127 397 T CA 1.032 62.220 62.100 -1.521 0.000 1.102 397 T CB -0.129 68.000 68.868 -1.232 0.000 0.855 397 T HN 0.475 nan 8.240 nan 0.000 0.536 398 H N 0.047 118.915 119.070 -0.337 0.000 2.505 398 H HA 0.260 4.816 4.556 0.000 0.000 0.286 398 H C 0.023 175.355 175.328 0.007 0.000 1.072 398 H CA 0.142 56.120 56.048 -0.115 0.000 1.141 398 H CB 0.553 30.257 29.762 -0.097 0.000 1.550 398 H HN 0.155 nan 8.280 nan 0.000 0.547 399 T N 2.581 117.213 114.554 0.130 0.000 3.068 399 T HA 0.087 4.437 4.350 0.000 0.000 0.364 399 T C 1.270 176.153 174.700 0.305 0.000 1.161 399 T CA -0.420 61.792 62.100 0.187 0.000 1.155 399 T CB 1.181 70.129 68.868 0.133 0.000 1.060 399 T HN -0.041 nan 8.240 nan 0.000 0.513 400 L N 2.273 123.665 121.223 0.282 0.000 2.010 400 L HA -0.199 4.141 4.340 0.000 0.000 0.219 400 L C 2.710 179.661 176.870 0.135 0.000 1.077 400 L CA 2.381 57.352 54.840 0.217 0.000 0.773 400 L CB -1.456 40.678 42.059 0.124 0.000 0.892 400 L HN 0.732 nan 8.230 nan 0.000 0.436 401 A N -0.787 122.102 122.820 0.116 0.000 2.076 401 A HA -0.203 4.117 4.320 0.000 0.000 0.220 401 A C 2.367 180.007 177.584 0.094 0.000 1.160 401 A CA 1.774 53.861 52.037 0.082 0.000 0.653 401 A CB -0.662 18.381 19.000 0.071 0.000 0.801 401 A HN 0.652 nan 8.150 nan 0.000 0.455 402 S N -0.678 115.113 115.700 0.151 0.000 2.474 402 S HA 0.070 4.540 4.470 0.000 0.000 0.235 402 S C 0.869 175.553 174.600 0.140 0.000 0.997 402 S CA 0.733 59.028 58.200 0.159 0.000 0.949 402 S CB -0.717 62.613 63.200 0.215 0.000 0.766 402 S HN 0.906 nan 8.310 nan 0.000 0.517 403 L N 0.464 121.741 121.223 0.089 0.000 3.717 403 L HA -0.153 4.187 4.340 0.000 0.000 0.411 403 L C 1.484 178.348 176.870 -0.010 0.000 1.233 403 L CA 0.679 55.507 54.840 -0.020 0.000 0.917 403 L CB -2.549 39.511 42.059 0.002 0.000 1.902 403 L HN 0.755 nan 8.230 nan 0.000 0.894 404 W N -0.135 121.175 121.300 0.016 0.000 2.425 404 W HA -0.081 4.579 4.660 0.000 0.000 0.277 404 W C 1.666 178.195 176.519 0.016 0.000 1.231 404 W CA 1.043 58.396 57.345 0.014 0.000 1.248 404 W CB -0.633 28.825 29.460 -0.003 0.000 1.117 404 W HN 0.277 nan 8.180 nan 0.000 0.568 405 K N 1.122 120.926 120.400 -0.994 0.000 2.057 405 K HA -0.159 4.161 4.320 0.000 0.000 0.207 405 K C 1.472 177.877 176.600 -0.326 0.000 1.049 405 K CA 2.280 58.028 56.287 -0.899 0.000 0.931 405 K CB -0.353 31.543 32.500 -1.005 0.000 0.714 405 K HN 0.014 nan 8.250 nan 0.000 0.440 406 D N 0.105 120.369 120.400 -0.226 0.000 2.178 406 D HA -0.104 4.536 4.640 0.000 0.000 0.201 406 D C 1.937 178.224 176.300 -0.022 0.000 0.980 406 D CA 0.944 54.886 54.000 -0.098 0.000 0.842 406 D CB 0.106 40.867 40.800 -0.064 0.000 0.948 406 D HN 0.110 nan 8.370 nan 0.000 0.472 407 R N 0.538 121.047 120.500 0.016 0.000 2.057 407 R HA 0.053 4.393 4.340 0.000 0.000 0.229 407 R C 2.305 178.662 176.300 0.095 0.000 1.136 407 R CA 1.099 57.248 56.100 0.080 0.000 0.952 407 R CB -0.466 29.912 30.300 0.129 0.000 0.848 407 R HN 0.157 nan 8.270 nan 0.000 0.430 408 A N 1.153 124.042 122.820 0.116 0.000 1.851 408 A HA -0.157 4.163 4.320 0.000 0.000 0.216 408 A C 2.424 180.072 177.584 0.106 0.000 1.195 408 A CA 1.870 53.994 52.037 0.144 0.000 0.622 408 A CB -0.923 18.209 19.000 0.221 0.000 0.831 408 A HN 0.117 nan 8.150 nan 0.000 0.444 409 V N -0.109 119.833 119.914 0.047 0.000 2.370 409 V HA -0.306 3.814 4.120 0.000 0.000 0.252 409 V C 2.709 178.826 176.094 0.040 0.000 1.068 409 V CA 2.615 64.933 62.300 0.029 0.000 1.061 409 V CB -1.462 30.341 31.823 -0.034 0.000 0.656 409 V HN 0.647 nan 8.190 nan 0.000 0.455 410 T N -0.765 113.818 114.554 0.049 0.000 2.708 410 T HA -0.152 4.199 4.350 0.000 0.000 0.266 410 T C 1.907 176.655 174.700 0.079 0.000 1.037 410 T CA 1.423 63.560 62.100 0.063 0.000 1.146 410 T CB -0.244 68.669 68.868 0.074 0.000 0.865 410 T HN 0.478 nan 8.240 nan 0.000 0.435 411 E N 0.926 121.193 120.200 0.113 0.000 2.106 411 E HA -0.003 4.347 4.350 0.000 0.000 0.192 411 E C 2.233 178.891 176.600 0.096 0.000 0.984 411 E CA 0.664 57.166 56.400 0.170 0.000 0.806 411 E CB -0.408 29.344 29.700 0.086 0.000 0.750 411 E HN 0.531 nan 8.360 nan 0.000 0.458 412 I N 1.553 122.196 120.570 0.123 0.000 2.226 412 I HA -0.265 3.905 4.170 0.000 0.000 0.245 412 I C 2.079 178.208 176.117 0.020 0.000 1.100 412 I CA 0.850 62.240 61.300 0.151 0.000 1.374 412 I CB -0.331 37.834 38.000 0.274 0.000 1.057 412 I HN 0.046 nan 8.210 nan 0.000 0.413 413 N N 0.708 119.408 118.700 0.000 0.000 2.166 413 N HA -0.141 4.599 4.740 0.000 0.000 0.186 413 N C 1.965 177.434 175.510 -0.068 0.000 1.019 413 N CA 1.818 54.836 53.050 -0.054 0.000 0.856 413 N CB -0.244 38.215 38.487 -0.046 0.000 0.993 413 N HN 0.413 nan 8.380 nan 0.000 0.426 414 V N -1.201 118.665 119.914 -0.079 0.000 2.548 414 V HA 0.078 4.198 4.120 0.000 0.000 0.249 414 V C 2.302 178.249 176.094 -0.244 0.000 1.055 414 V CA 1.516 63.733 62.300 -0.139 0.000 1.065 414 V CB -1.005 30.720 31.823 -0.163 0.000 0.681 414 V HN 0.147 nan 8.190 nan 0.000 0.462 415 A N 0.725 123.320 122.820 -0.375 0.000 1.877 415 A HA -0.092 4.228 4.320 0.000 0.000 0.216 415 A C 2.402 179.887 177.584 -0.166 0.000 1.186 415 A CA 2.425 54.165 52.037 -0.494 0.000 0.620 415 A CB -1.012 17.296 19.000 -1.153 0.000 0.822 415 A HN 0.455 nan 8.150 nan 0.000 0.443 416 V N -0.117 119.745 119.914 -0.087 0.000 2.220 416 V HA -0.268 3.852 4.120 0.000 0.000 0.246 416 V C 2.529 178.661 176.094 0.064 0.000 1.049 416 V CA 2.075 64.393 62.300 0.029 0.000 1.003 416 V CB -0.882 30.884 31.823 -0.094 0.000 0.634 416 V HN 0.489 nan 8.190 nan 0.000 0.444 417 L N -0.187 121.020 121.223 -0.027 0.000 1.990 417 L HA -0.241 4.099 4.340 0.000 0.000 0.213 417 L C 2.469 179.367 176.870 0.046 0.000 1.072 417 L CA 2.364 57.198 54.840 -0.010 0.000 0.755 417 L CB -1.644 40.403 42.059 -0.020 0.000 0.889 417 L HN 0.554 nan 8.230 nan 0.000 0.432 418 H N -0.818 118.206 119.070 -0.077 0.000 2.289 418 H HA -0.172 4.385 4.556 0.000 0.000 0.296 418 H C 2.158 177.465 175.328 -0.035 0.000 1.091 418 H CA 2.028 58.022 56.048 -0.091 0.000 1.274 418 H CB 0.335 29.979 29.762 -0.197 0.000 1.364 418 H HN 0.301 nan 8.280 nan 0.000 0.490 419 S N 0.130 115.744 115.700 -0.143 0.000 2.370 419 S HA -0.138 4.332 4.470 0.000 0.000 0.226 419 S C 2.000 176.537 174.600 -0.106 0.000 1.033 419 S CA 1.378 59.481 58.200 -0.161 0.000 1.011 419 S CB -0.496 62.697 63.200 -0.013 0.000 0.852 419 S HN 0.306 nan 8.310 nan 0.000 0.457 420 F N 1.907 121.778 119.950 -0.132 0.000 2.146 420 F HA -0.095 4.432 4.527 0.000 0.000 0.298 420 F C 2.654 178.385 175.800 -0.116 0.000 1.096 420 F CA 1.159 59.102 58.000 -0.096 0.000 1.275 420 F CB -0.588 38.370 39.000 -0.070 0.000 1.008 420 F HN 0.207 nan 8.300 nan 0.000 0.480 421 Q N -0.124 119.709 119.800 0.054 0.000 2.084 421 Q HA -0.256 4.084 4.340 0.000 0.000 0.202 421 Q C 2.193 178.135 176.000 -0.097 0.000 0.978 421 Q CA 1.775 57.561 55.803 -0.028 0.000 0.844 421 Q CB -0.290 28.425 28.738 -0.039 0.000 0.898 421 Q HN 0.326 nan 8.270 nan 0.000 0.426 422 K N 0.883 121.164 120.400 -0.197 0.000 2.057 422 K HA -0.176 4.144 4.320 0.000 0.000 0.207 422 K C 1.510 178.024 176.600 -0.143 0.000 1.049 422 K CA 1.311 57.471 56.287 -0.212 0.000 0.931 422 K CB 0.165 32.446 32.500 -0.365 0.000 0.714 422 K HN 0.151 nan 8.250 nan 0.000 0.440 423 Q N 0.513 120.224 119.800 -0.148 0.000 2.322 423 Q HA 0.091 4.431 4.340 0.000 0.000 0.203 423 Q C -0.717 175.224 176.000 -0.100 0.000 0.923 423 Q CA -0.193 55.533 55.803 -0.129 0.000 0.949 423 Q CB 0.363 28.997 28.738 -0.173 0.000 1.039 423 Q HN 0.285 nan 8.270 nan 0.000 0.496 424 N N 0.105 118.759 118.700 -0.077 0.000 2.714 424 N HA -0.147 4.593 4.740 0.000 0.000 0.253 424 N C -1.456 174.031 175.510 -0.038 0.000 1.024 424 N CA 0.582 53.599 53.050 -0.053 0.000 0.726 424 N CB -1.209 37.246 38.487 -0.053 0.000 0.908 424 N HN 0.019 nan 8.380 nan 0.000 0.542 425 V N 0.855 120.767 119.914 -0.003 0.000 2.444 425 V HA 0.237 4.357 4.120 0.000 0.000 0.294 425 V C 0.781 176.984 176.094 0.181 0.000 1.022 425 V CA -0.704 61.639 62.300 0.071 0.000 0.850 425 V CB 2.040 33.862 31.823 -0.003 0.000 0.992 425 V HN 0.226 nan 8.190 nan 0.000 0.426 426 T N 6.429 121.017 114.554 0.058 0.000 2.923 426 T HA 0.354 4.704 4.350 0.000 0.000 0.304 426 T C -0.204 174.490 174.700 -0.010 0.000 1.044 426 T CA 1.091 63.130 62.100 -0.103 0.000 1.141 426 T CB 0.066 68.736 68.868 -0.329 0.000 1.023 426 T HN 0.600 nan 8.240 nan 0.000 0.533 427 I N 2.325 122.807 120.570 -0.147 0.000 2.961 427 I HA 0.532 4.702 4.170 0.000 0.000 0.303 427 I C -1.726 174.337 176.117 -0.090 0.000 1.505 427 I CA -1.239 59.987 61.300 -0.124 0.000 0.964 427 I CB 1.790 39.590 38.000 -0.335 0.000 1.348 427 I HN 0.795 nan 8.210 nan 0.000 0.508 428 M N 2.684 122.290 119.600 0.010 0.000 2.484 428 M HA 0.578 5.058 4.480 0.000 0.000 0.289 428 M C -1.821 174.509 176.300 0.051 0.000 1.206 428 M CA -0.632 54.703 55.300 0.057 0.000 0.892 428 M CB 2.014 34.724 32.600 0.183 0.000 1.712 428 M HN 0.509 nan 8.290 nan 0.000 0.462 429 D N 0.325 120.767 120.400 0.070 0.000 2.329 429 D HA 0.184 4.824 4.640 0.000 0.000 0.246 429 D C 1.088 177.481 176.300 0.156 0.000 1.111 429 D CA -0.270 53.813 54.000 0.138 0.000 0.941 429 D CB 0.581 41.459 40.800 0.130 0.000 1.169 429 D HN 0.739 nan 8.370 nan 0.000 0.441 430 H N 0.193 119.225 119.070 -0.063 0.000 2.457 430 H HA -0.128 4.428 4.556 0.000 0.000 0.294 430 H C 1.073 176.307 175.328 -0.157 0.000 1.064 430 H CA 1.357 57.322 56.048 -0.139 0.000 1.330 430 H CB -0.722 28.900 29.762 -0.233 0.000 1.395 430 H HN 0.541 nan 8.280 nan 0.000 0.541 431 H N 1.148 120.003 119.070 -0.358 0.000 2.276 431 H HA -0.084 4.472 4.556 0.000 0.000 0.301 431 H C 2.400 177.679 175.328 -0.081 0.000 1.073 431 H CA 2.511 58.407 56.048 -0.253 0.000 1.311 431 H CB -0.303 29.287 29.762 -0.286 0.000 1.379 431 H HN 0.597 nan 8.280 nan 0.000 0.494 432 T N -0.791 113.813 114.554 0.084 0.000 2.881 432 T HA 0.013 4.363 4.350 0.000 0.000 0.270 432 T C 2.227 176.981 174.700 0.089 0.000 1.068 432 T CA 0.964 63.110 62.100 0.076 0.000 1.131 432 T CB -0.326 68.581 68.868 0.066 0.000 0.871 432 T HN 0.328 nan 8.240 nan 0.000 0.479 433 A N 1.518 124.389 122.820 0.085 0.000 1.873 433 A HA 0.057 4.378 4.320 0.000 0.000 0.215 433 A C 2.747 180.401 177.584 0.116 0.000 1.186 433 A CA 1.722 53.822 52.037 0.105 0.000 0.616 433 A CB -1.128 17.922 19.000 0.084 0.000 0.823 433 A HN 0.516 nan 8.150 nan 0.000 0.442 434 S N -0.400 115.343 115.700 0.071 0.000 2.368 434 S HA -0.169 4.301 4.470 0.000 0.000 0.225 434 S C 1.894 176.586 174.600 0.153 0.000 1.030 434 S CA 1.540 59.799 58.200 0.099 0.000 0.999 434 S CB -0.296 62.918 63.200 0.023 0.000 0.844 434 S HN 0.668 nan 8.310 nan 0.000 0.459 435 E N 0.818 121.085 120.200 0.113 0.000 2.077 435 E HA -0.126 4.224 4.350 0.000 0.000 0.193 435 E C 2.410 179.077 176.600 0.111 0.000 0.989 435 E CA 1.395 57.857 56.400 0.103 0.000 0.800 435 E CB -0.190 29.557 29.700 0.077 0.000 0.746 435 E HN 0.596 nan 8.360 nan 0.000 0.452 436 S N 0.491 116.268 115.700 0.129 0.000 2.402 436 S HA -0.168 4.302 4.470 0.000 0.000 0.229 436 S C 1.910 176.609 174.600 0.166 0.000 1.021 436 S CA 0.591 58.870 58.200 0.131 0.000 0.974 436 S CB -0.381 62.902 63.200 0.138 0.000 0.800 436 S HN 0.296 nan 8.310 nan 0.000 0.484 437 F N 2.435 122.433 119.950 0.080 0.000 2.102 437 F HA 0.039 4.566 4.527 0.000 0.000 0.298 437 F C 2.341 178.217 175.800 0.126 0.000 1.105 437 F CA 1.581 59.646 58.000 0.109 0.000 1.239 437 F CB -0.455 38.586 39.000 0.067 0.000 0.991 437 F HN 0.106 nan 8.300 nan 0.000 0.474 438 M N 0.271 119.889 119.600 0.031 0.000 2.108 438 M HA -0.251 4.229 4.480 0.000 0.000 0.257 438 M C 2.197 178.423 176.300 -0.124 0.000 1.071 438 M CA 1.770 57.030 55.300 -0.067 0.000 1.093 438 M CB -1.221 31.411 32.600 0.053 0.000 1.345 438 M HN 0.130 nan 8.290 nan 0.000 0.403 439 K N -0.531 119.841 120.400 -0.046 0.000 2.057 439 K HA -0.181 4.139 4.320 0.000 0.000 0.206 439 K C 1.949 178.508 176.600 -0.068 0.000 1.050 439 K CA 1.735 58.001 56.287 -0.034 0.000 0.935 439 K CB -0.609 31.902 32.500 0.019 0.000 0.715 439 K HN 0.382 nan 8.250 nan 0.000 0.439 440 H N 0.107 119.074 119.070 -0.172 0.000 2.265 440 H HA -0.136 4.420 4.556 0.000 0.000 0.295 440 H C 2.030 177.201 175.328 -0.262 0.000 1.084 440 H CA 2.728 58.660 56.048 -0.193 0.000 1.261 440 H CB -0.344 29.290 29.762 -0.213 0.000 1.360 440 H HN 0.246 nan 8.280 nan 0.000 0.487 441 M N 0.029 119.260 119.600 -0.616 0.000 2.082 441 M HA -0.301 4.179 4.480 0.000 0.000 0.258 441 M C 2.302 178.472 176.300 -0.217 0.000 1.069 441 M CA 2.237 57.236 55.300 -0.502 0.000 1.102 441 M CB -0.116 32.166 32.600 -0.530 0.000 1.336 441 M HN 0.504 nan 8.290 nan 0.000 0.404 442 Q N -0.044 119.639 119.800 -0.195 0.000 2.061 442 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 442 Q C 1.767 177.724 176.000 -0.073 0.000 0.984 442 Q CA 1.882 57.620 55.803 -0.107 0.000 0.846 442 Q CB -0.341 28.344 28.738 -0.087 0.000 0.902 442 Q HN 0.615 nan 8.270 nan 0.000 0.421 443 N N 0.621 119.249 118.700 -0.120 0.000 2.084 443 N HA -0.188 4.552 4.740 0.000 0.000 0.190 443 N C 1.695 177.123 175.510 -0.136 0.000 1.030 443 N CA 1.211 54.202 53.050 -0.100 0.000 0.849 443 N CB -0.316 38.123 38.487 -0.079 0.000 1.012 443 N HN 0.184 nan 8.380 nan 0.000 0.423 444 E N 0.265 120.301 120.200 -0.274 0.000 2.097 444 E HA -0.149 4.201 4.350 0.000 0.000 0.196 444 E C 1.714 178.199 176.600 -0.191 0.000 1.000 444 E CA 1.161 57.373 56.400 -0.313 0.000 0.804 444 E CB -0.286 29.107 29.700 -0.511 0.000 0.740 444 E HN 0.416 nan 8.360 nan 0.000 0.454 445 Y N -0.169 120.021 120.300 -0.183 0.000 2.200 445 Y HA -0.138 4.412 4.550 0.000 0.000 0.290 445 Y C 2.423 178.270 175.900 -0.089 0.000 1.137 445 Y CA 1.663 59.696 58.100 -0.111 0.000 1.163 445 Y CB -0.344 38.063 38.460 -0.087 0.000 0.988 445 Y HN -0.009 nan 8.280 nan 0.000 0.518 446 R N 0.896 121.427 120.500 0.051 0.000 2.075 446 R HA -0.157 4.183 4.340 0.000 0.000 0.230 446 R C 2.298 178.580 176.300 -0.031 0.000 1.140 446 R CA 1.942 58.046 56.100 0.008 0.000 0.928 446 R CB -1.247 29.051 30.300 -0.004 0.000 0.834 446 R HN 0.201 nan 8.270 nan 0.000 0.429 447 A N 1.039 123.826 122.820 -0.056 0.000 1.859 447 A HA -0.226 4.094 4.320 0.000 0.000 0.218 447 A C 1.682 179.213 177.584 -0.089 0.000 1.209 447 A CA 2.367 54.362 52.037 -0.070 0.000 0.639 447 A CB -0.547 18.402 19.000 -0.085 0.000 0.835 447 A HN 0.623 nan 8.150 nan 0.000 0.450 448 R N -1.732 118.686 120.500 -0.136 0.000 2.727 448 R HA 0.448 4.788 4.340 0.000 0.000 0.410 448 R C 0.543 176.732 176.300 -0.184 0.000 1.101 448 R CA 0.166 56.181 56.100 -0.142 0.000 1.045 448 R CB -0.829 29.379 30.300 -0.154 0.000 1.380 448 R HN 0.848 nan 8.270 nan 0.000 0.587 449 G N 0.367 109.061 108.800 -0.176 0.000 2.196 449 G HA2 0.053 4.013 3.960 0.000 0.000 0.261 449 G HA3 0.053 4.013 3.960 0.000 0.000 0.261 449 G C 0.354 174.978 174.900 -0.460 0.000 0.832 449 G CA 0.551 45.519 45.100 -0.219 0.000 1.246 449 G HN 1.020 nan 8.290 nan 0.000 0.383 450 G N -1.722 106.473 108.800 -1.008 0.000 2.333 450 G HA2 0.525 4.485 3.960 0.000 0.000 0.330 450 G HA3 0.525 4.485 3.960 0.000 0.000 0.330 450 G C -0.592 173.816 174.900 -0.819 0.000 1.465 450 G CA 0.249 44.636 45.100 -1.188 0.000 0.996 450 G HN 2.335 nan 8.290 nan 0.000 0.655 451 C N 2.384 121.442 119.300 -0.403 0.000 3.096 451 C HA 0.581 5.041 4.460 0.000 0.000 0.391 451 C C -2.573 172.395 174.990 -0.036 0.000 1.085 451 C CA -0.793 58.140 59.018 -0.141 0.000 1.289 451 C CB 0.727 28.434 27.740 -0.055 0.000 1.685 451 C HN 0.835 nan 8.230 nan 0.000 0.515 452 P HA 0.408 nan 4.420 nan 0.000 0.265 452 P C -0.565 176.663 177.300 -0.120 0.000 1.193 452 P CA 0.613 63.381 63.100 -0.554 0.000 0.765 452 P CB 1.076 32.246 31.700 -0.883 0.000 0.823 453 A N 2.118 124.924 122.820 -0.024 0.000 2.491 453 A HA 0.326 4.646 4.320 0.000 0.000 0.293 453 A C -1.048 176.591 177.584 0.091 0.000 1.047 453 A CA -0.577 51.519 52.037 0.099 0.000 0.735 453 A CB 1.073 20.251 19.000 0.296 0.000 1.281 453 A HN 0.466 nan 8.150 nan 0.000 0.398 454 D N 2.381 122.811 120.400 0.051 0.000 2.456 454 D HA 0.124 4.764 4.640 0.000 0.000 0.219 454 D C 0.872 177.291 176.300 0.197 0.000 1.126 454 D CA -0.390 53.674 54.000 0.107 0.000 0.890 454 D CB 0.355 41.158 40.800 0.006 0.000 1.025 454 D HN 0.626 nan 8.370 nan 0.000 0.511 455 W N 4.628 125.952 121.300 0.039 0.000 2.318 455 W HA -0.232 4.428 4.660 0.000 0.000 0.313 455 W C 1.834 178.369 176.519 0.028 0.000 1.221 455 W CA 1.250 58.602 57.345 0.012 0.000 1.266 455 W CB -0.121 29.326 29.460 -0.020 0.000 1.150 455 W HN 0.472 nan 8.180 nan 0.000 0.496 456 I N -0.910 119.942 120.570 0.470 0.000 2.315 456 I HA -0.318 3.852 4.170 0.000 0.000 0.251 456 I C 1.713 177.878 176.117 0.080 0.000 1.125 456 I CA 1.498 62.990 61.300 0.319 0.000 1.392 456 I CB -0.650 37.578 38.000 0.379 0.000 1.065 456 I HN 0.128 nan 8.210 nan 0.000 0.424 457 W N 0.089 121.341 121.300 -0.080 0.000 2.704 457 W HA 0.126 4.786 4.660 0.000 0.000 0.266 457 W C 2.215 178.595 176.519 -0.233 0.000 1.266 457 W CA 0.223 57.486 57.345 -0.137 0.000 1.377 457 W CB -0.350 29.050 29.460 -0.100 0.000 1.082 457 W HN -0.044 nan 8.180 nan 0.000 0.608 458 L N -0.267 120.879 121.223 -0.129 0.000 2.240 458 L HA 0.018 4.358 4.340 0.000 0.000 0.211 458 L C 0.639 177.280 176.870 -0.382 0.000 1.106 458 L CA 0.274 54.921 54.840 -0.323 0.000 0.793 458 L CB -0.898 40.879 42.059 -0.469 0.000 0.927 458 L HN -0.393 nan 8.230 nan 0.000 0.446 459 V N 1.286 120.890 119.914 -0.517 0.000 2.555 459 V HA 0.116 4.236 4.120 0.000 0.000 0.286 459 V C -1.845 174.051 176.094 -0.330 0.000 1.044 459 V CA -1.275 60.713 62.300 -0.519 0.000 1.026 459 V CB 0.417 31.717 31.823 -0.872 0.000 0.981 459 V HN 0.036 nan 8.190 nan 0.000 0.480 460 P HA 0.111 nan 4.420 nan 0.000 0.269 460 P C -1.787 175.393 177.300 -0.200 0.000 1.217 460 P CA -1.024 61.961 63.100 -0.192 0.000 0.783 460 P CB 0.019 31.663 31.700 -0.093 0.000 0.898 461 P HA -0.048 nan 4.420 nan 0.000 0.234 461 P C -0.086 177.120 177.300 -0.157 0.000 1.167 461 P CA 1.001 63.982 63.100 -0.199 0.000 0.763 461 P CB 0.143 31.709 31.700 -0.223 0.000 0.835 462 V N -6.577 113.241 119.914 -0.160 0.000 3.087 462 V HA 0.557 4.677 4.120 0.000 0.000 0.306 462 V C 0.184 176.253 176.094 -0.041 0.000 1.187 462 V CA -0.942 61.295 62.300 -0.105 0.000 0.999 462 V CB 1.379 33.129 31.823 -0.123 0.000 1.049 462 V HN -0.124 nan 8.190 nan 0.000 0.431 463 S N 1.261 116.952 115.700 -0.016 0.000 3.614 463 S HA -0.180 4.290 4.470 0.000 0.000 0.360 463 S C 1.514 176.071 174.600 -0.072 0.000 1.023 463 S CA 1.161 59.359 58.200 -0.004 0.000 1.114 463 S CB -1.499 61.758 63.200 0.095 0.000 0.907 463 S HN 2.016 nan 8.310 nan 0.000 0.470 464 G N 2.301 111.044 108.800 -0.094 0.000 2.545 464 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 464 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 464 G C 1.456 176.181 174.900 -0.293 0.000 1.218 464 G CA 1.402 46.443 45.100 -0.098 0.000 0.787 464 G HN 1.188 nan 8.290 nan 0.000 0.571 465 S N 0.300 115.540 115.700 -0.767 0.000 2.507 465 S HA 0.060 4.530 4.470 0.000 0.000 0.235 465 S C 2.041 176.481 174.600 -0.266 0.000 0.988 465 S CA 0.513 58.068 58.200 -1.074 0.000 0.944 465 S CB -0.048 62.414 63.200 -1.230 0.000 0.762 465 S HN 0.174 nan 8.310 nan 0.000 0.526 466 I N 1.903 122.389 120.570 -0.139 0.000 3.001 466 I HA 0.066 4.236 4.170 0.000 0.000 0.268 466 I C 0.906 177.062 176.117 0.066 0.000 1.267 466 I CA 0.649 61.960 61.300 0.019 0.000 1.472 466 I CB -1.671 36.379 38.000 0.082 0.000 1.089 466 I HN 0.264 nan 8.210 nan 0.000 0.468 467 T N 1.995 116.542 114.554 -0.012 0.000 2.875 467 T HA 0.223 4.573 4.350 0.000 0.000 0.284 467 T C -1.463 173.286 174.700 0.083 0.000 0.995 467 T CA -1.132 60.972 62.100 0.007 0.000 1.060 467 T CB 2.328 71.146 68.868 -0.083 0.000 0.967 467 T HN -0.083 nan 8.240 nan 0.000 0.476 468 P HA -0.096 nan 4.420 nan 0.000 0.217 468 P C 1.653 179.073 177.300 0.200 0.000 1.150 468 P CA 0.637 63.864 63.100 0.213 0.000 0.832 468 P CB -0.119 31.677 31.700 0.160 0.000 0.787 469 V N -3.195 116.799 119.914 0.133 0.000 2.867 469 V HA -0.199 3.921 4.120 0.000 0.000 0.260 469 V C 1.938 178.077 176.094 0.076 0.000 1.099 469 V CA 1.355 63.727 62.300 0.119 0.000 1.122 469 V CB -1.861 29.986 31.823 0.042 0.000 0.708 469 V HN -0.045 nan 8.190 nan 0.000 0.490 470 F N 1.789 121.643 119.950 -0.160 0.000 2.259 470 F HA 0.004 4.531 4.527 0.000 0.000 0.298 470 F C 2.286 178.163 175.800 0.129 0.000 1.088 470 F CA 1.830 59.764 58.000 -0.109 0.000 1.358 470 F CB -0.238 38.550 39.000 -0.353 0.000 1.040 470 F HN 0.337 nan 8.300 nan 0.000 0.505 471 H N -0.605 118.797 119.070 0.553 0.000 2.526 471 H HA 0.150 4.706 4.556 0.000 0.000 0.274 471 H C 0.185 175.656 175.328 0.238 0.000 0.999 471 H CA 0.140 56.413 56.048 0.376 0.000 1.157 471 H CB -0.285 29.657 29.762 0.300 0.000 1.407 471 H HN 0.259 nan 8.280 nan 0.000 0.568 472 Q N 1.982 121.982 119.800 0.333 0.000 2.340 472 Q HA 0.168 4.508 4.340 0.000 0.000 0.259 472 Q C -0.552 175.591 176.000 0.238 0.000 0.964 472 Q CA -0.398 55.553 55.803 0.246 0.000 0.900 472 Q CB 0.805 29.682 28.738 0.233 0.000 1.228 472 Q HN 0.233 nan 8.270 nan 0.000 0.449 473 E N 4.188 124.456 120.200 0.114 0.000 2.354 473 E HA 0.427 4.777 4.350 0.000 0.000 0.269 473 E C -0.399 176.269 176.600 0.113 0.000 1.036 473 E CA -0.030 56.404 56.400 0.057 0.000 0.876 473 E CB 0.796 30.498 29.700 0.005 0.000 1.009 473 E HN 0.686 nan 8.360 nan 0.000 0.416 474 M N 0.591 120.274 119.600 0.138 0.000 2.520 474 M HA 0.413 4.893 4.480 0.000 0.000 0.280 474 M C -1.690 174.721 176.300 0.185 0.000 1.232 474 M CA -1.162 54.258 55.300 0.200 0.000 0.892 474 M CB 1.107 33.876 32.600 0.281 0.000 1.728 474 M HN 0.129 nan 8.290 nan 0.000 0.475 475 L N 2.434 123.804 121.223 0.244 0.000 2.309 475 L HA 0.523 4.863 4.340 0.000 0.000 0.282 475 L C -0.476 176.534 176.870 0.233 0.000 1.036 475 L CA 0.089 55.092 54.840 0.271 0.000 0.806 475 L CB 1.344 43.630 42.059 0.378 0.000 1.220 475 L HN 0.802 nan 8.230 nan 0.000 0.429 476 N N 2.578 121.388 118.700 0.184 0.000 2.626 476 N HA 0.411 5.151 4.740 0.000 0.000 0.242 476 N C -1.625 173.929 175.510 0.074 0.000 1.005 476 N CA -0.399 52.672 53.050 0.036 0.000 0.905 476 N CB 0.317 38.826 38.487 0.037 0.000 1.128 476 N HN 0.372 nan 8.380 nan 0.000 0.512 477 Y N 0.209 120.499 120.300 -0.016 0.000 2.512 477 Y HA 0.665 5.215 4.550 0.000 0.000 0.348 477 Y C -0.740 175.094 175.900 -0.111 0.000 0.990 477 Y CA -1.528 56.533 58.100 -0.064 0.000 1.033 477 Y CB 0.656 39.083 38.460 -0.054 0.000 1.259 477 Y HN -0.055 nan 8.280 nan 0.000 0.461 478 V N 5.002 124.840 119.914 -0.126 0.000 2.372 478 V HA 0.219 4.339 4.120 0.000 0.000 0.261 478 V C 0.456 176.398 176.094 -0.253 0.000 1.055 478 V CA -0.335 61.691 62.300 -0.456 0.000 0.930 478 V CB -0.288 31.072 31.823 -0.772 0.000 1.031 478 V HN 0.787 nan 8.190 nan 0.000 0.479 479 L N 3.001 124.149 121.223 -0.126 0.000 3.011 479 L HA 0.692 5.032 4.340 0.000 0.000 0.185 479 L C 0.535 177.401 176.870 -0.006 0.000 1.457 479 L CA -0.278 54.566 54.840 0.007 0.000 1.482 479 L CB 0.867 42.968 42.059 0.070 0.000 2.432 479 L HN 0.649 nan 8.230 nan 0.000 0.546 480 S N -0.623 115.116 115.700 0.065 0.000 2.556 480 S HA 0.385 4.855 4.470 0.000 0.000 0.280 480 S C -2.821 171.844 174.600 0.109 0.000 1.141 480 S CA -0.989 57.268 58.200 0.095 0.000 0.883 480 S CB 1.713 64.945 63.200 0.055 0.000 1.103 480 S HN 0.285 nan 8.310 nan 0.000 0.453 481 P HA 0.356 nan 4.420 nan 0.000 0.268 481 P C -1.051 176.259 177.300 0.017 0.000 1.208 481 P CA -0.075 63.037 63.100 0.021 0.000 0.777 481 P CB 0.189 31.846 31.700 -0.072 0.000 0.875 482 F N 1.005 120.832 119.950 -0.205 0.000 2.645 482 F HA 0.444 4.971 4.527 0.000 0.000 0.310 482 F C -1.418 174.182 175.800 -0.332 0.000 1.102 482 F CA -0.986 56.832 58.000 -0.303 0.000 0.952 482 F CB 1.492 40.316 39.000 -0.293 0.000 1.326 482 F HN 0.129 nan 8.300 nan 0.000 0.456 483 Y N 3.929 123.798 120.300 -0.718 0.000 2.385 483 Y HA 0.427 4.977 4.550 0.000 0.000 0.341 483 Y C -0.976 174.700 175.900 -0.374 0.000 0.965 483 Y CA -0.667 57.226 58.100 -0.345 0.000 1.180 483 Y CB 0.360 38.604 38.460 -0.360 0.000 1.139 483 Y HN 0.359 nan 8.280 nan 0.000 0.502 484 Y N 1.535 121.941 120.300 0.177 0.000 2.403 484 Y HA 0.344 4.894 4.550 0.000 0.000 0.323 484 Y C 0.059 176.064 175.900 0.175 0.000 1.226 484 Y CA -1.204 57.010 58.100 0.189 0.000 1.235 484 Y CB 0.819 39.407 38.460 0.213 0.000 1.248 484 Y HN 0.498 nan 8.280 nan 0.000 0.489 485 Y N 1.242 121.691 120.300 0.248 0.000 2.298 485 Y HA 0.313 4.863 4.550 0.000 0.000 0.329 485 Y C 0.200 176.173 175.900 0.121 0.000 1.293 485 Y CA -0.735 57.436 58.100 0.119 0.000 1.388 485 Y CB 1.068 39.568 38.460 0.067 0.000 1.309 485 Y HN 0.471 nan 8.280 nan 0.000 0.544 486 Q N 0.260 120.178 119.800 0.197 0.000 2.511 486 Q HA 0.487 4.827 4.340 0.000 0.000 0.289 486 Q C -1.622 174.349 176.000 -0.048 0.000 1.021 486 Q CA -1.042 54.807 55.803 0.076 0.000 0.785 486 Q CB 1.899 30.671 28.738 0.057 0.000 1.472 486 Q HN 0.599 nan 8.270 nan 0.000 0.411 487 I N 1.792 122.306 120.570 -0.092 0.000 2.710 487 I HA -0.027 4.143 4.170 0.000 0.000 0.286 487 I C -0.128 175.767 176.117 -0.370 0.000 1.181 487 I CA -0.124 61.061 61.300 -0.192 0.000 1.430 487 I CB 0.261 38.167 38.000 -0.156 0.000 1.367 487 I HN 0.578 nan 8.210 nan 0.000 0.577 488 E N 9.144 129.008 120.200 -0.560 0.000 2.729 488 E HA -0.087 4.263 4.350 0.000 0.000 0.246 488 E C -1.379 174.558 176.600 -1.105 0.000 0.984 488 E CA -0.695 55.036 56.400 -1.116 0.000 0.951 488 E CB -0.154 28.576 29.700 -1.617 0.000 0.914 488 E HN 0.415 nan 8.360 nan 0.000 0.509 489 P HA -0.216 nan 4.420 nan 0.000 0.217 489 P C 0.702 177.482 177.300 -0.866 0.000 1.148 489 P CA 1.520 64.063 63.100 -0.928 0.000 0.834 489 P CB -0.112 30.782 31.700 -1.344 0.000 0.783 490 W N 0.318 121.119 121.300 -0.832 0.000 2.937 490 W HA 0.245 4.906 4.660 0.000 0.000 0.245 490 W C 1.685 178.245 176.519 0.070 0.000 1.306 490 W CA 0.149 57.335 57.345 -0.266 0.000 1.470 490 W CB -1.028 28.429 29.460 -0.005 0.000 1.132 490 W HN -0.120 nan 8.180 nan 0.000 0.675 491 K N 0.549 120.781 120.400 -0.280 0.000 2.202 491 K HA 0.045 4.365 4.320 0.000 0.000 0.201 491 K C 0.527 177.126 176.600 -0.002 0.000 1.051 491 K CA 1.374 57.599 56.287 -0.103 0.000 0.977 491 K CB -0.034 32.315 32.500 -0.252 0.000 0.792 491 K HN 0.089 nan 8.250 nan 0.000 0.469 492 T N -0.625 113.893 114.554 -0.060 0.000 3.060 492 T HA 0.385 4.735 4.350 0.000 0.000 0.367 492 T C -1.069 173.679 174.700 0.080 0.000 1.229 492 T CA -0.790 61.313 62.100 0.005 0.000 1.104 492 T CB 0.586 69.424 68.868 -0.050 0.000 1.083 492 T HN 0.200 nan 8.240 nan 0.000 0.524 493 H N 2.334 121.417 119.070 0.021 0.000 3.094 493 H HA 0.487 5.043 4.556 0.000 0.000 0.335 493 H C 0.034 175.385 175.328 0.039 0.000 1.254 493 H CA -0.886 55.145 56.048 -0.028 0.000 1.240 493 H CB 1.108 30.795 29.762 -0.124 0.000 1.936 493 H HN 0.674 nan 8.280 nan 0.000 0.536 494 I N -0.315 119.783 120.570 -0.786 0.000 2.274 494 I HA 0.137 4.307 4.170 0.000 0.000 0.163 494 I C -0.396 175.536 176.117 -0.309 0.000 1.429 494 I CA -0.164 60.865 61.300 -0.451 0.000 0.542 494 I CB 0.404 38.156 38.000 -0.414 0.000 1.906 494 I HN 0.609 nan 8.210 nan 0.000 1.110 495 W N 2.454 123.622 121.300 -0.220 0.000 1.542 495 W HA 0.000 4.660 4.660 0.000 0.000 0.320 495 W C -0.775 175.736 176.519 -0.014 0.000 1.042 495 W CA -0.732 56.595 57.345 -0.029 0.000 0.742 495 W CB -0.492 29.006 29.460 0.064 0.000 0.592 495 W HN 0.711 nan 8.180 nan 0.000 0.293 496 Q N 0.000 119.892 119.800 0.154 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.870 55.803 0.111 0.000 1.022 496 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481