NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.3595 8.3049 120.3420 55.3670 33.6211 174.5273 7 I 4.2836 7.6927 124.8923 58.4452 40.0855 173.8345 8 P 4.6280 0.0000 0.0000 61.4135 29.8792 176.5547 9 G 4.3428 7.5095 116.5630 45.9083 0.0000 172.2957 10 G 3.7790 7.3530 110.4068 44.9736 0.0000 173.0357 11 L 4.6204 7.8302 118.6127 52.9967 43.7636 176.8317 12 S 4.4022 8.3244 116.7075 57.4859 64.3850 173.1527 13 E 4.1887 8.4856 121.0502 56.0925 30.3404 175.3789 14 A 4.5799 8.2371 124.0794 50.9284 20.3615 176.8173 15 K 4.6848 8.0473 119.3909 53.4699 36.5356 174.2617 16 P 4.7716 0.0000 0.0000 62.9194 32.0337 176.2167 17 A 4.5190 8.6956 123.7855 52.2045 19.2943 177.1059 18 T 4.6574 7.9275 109.7362 58.7133 71.8864 173.4309 19 P 4.2115 0.0000 0.0000 65.9851 31.1760 178.2663 20 E 3.9245 7.7386 117.7664 58.7486 29.5244 178.7357 21 I 3.3559 7.7990 120.4939 64.3388 37.1069 178.1024 22 Q 3.9637 7.9014 119.8004 58.9258 28.8757 177.6924 23 E 3.8400 7.7413 120.3698 59.3180 29.6930 178.7641 24 I 3.5063 7.7160 120.0441 64.4413 37.1766 178.5839 25 V 3.5243 8.0663 119.2428 66.1360 31.1107 177.8364 26 D 4.3585 8.5005 117.9958 57.2111 40.7559 178.4490 27 K 4.0725 8.4719 119.6064 58.6884 32.4110 178.5322 28 V 3.9437 7.6371 119.2059 63.3013 31.7969 177.9408 29 K 3.7495 8.3861 120.9157 59.3620 31.9122 176.5000 30 P 4.3037 0.0000 0.0000 65.7375 31.1128 178.6062 31 Q 4.8811 8.6748 118.6429 58.1051 28.5123 178.2832 32 L 3.7449 7.8338 121.0602 58.2245 42.2739 178.6649 33 E 4.1308 8.0177 118.1131 59.7193 29.4592 179.3874 34 E 4.0691 8.4754 118.0981 58.6377 29.1703 179.1401 35 K 4.2574 7.5495 118.0337 57.9998 32.9756 178.0195 36 T 4.3920 8.1514 107.1493 60.5528 69.3642 173.8521 37 N 4.1665 8.1000 119.1424 54.5529 38.0878 173.2383 38 E 4.3834 7.5021 114.1735 54.3332 31.7853 175.6979 39 T 4.8214 7.3716 114.5008 61.2971 71.2967 173.4350 40 Y 4.5549 8.4353 124.2863 56.5619 40.7719 175.7932 *43 G 4.2267 7.9091 110.3265 45.2218 0.0000 175.2247 44 K 4.1872 8.6049 126.9806 56.1490 33.8076 175.2796 45 L 4.6975 8.4973 126.1984 53.2096 41.9057 175.1153 46 E 4.5029 9.5414 127.0645 54.9392 30.7310 175.5086 47 A 4.3853 9.3854 130.2816 52.3345 18.5543 177.1068 48 V 4.4045 8.5503 119.6374 63.9742 34.4005 175.3993 49 Q 5.1353 7.9895 116.6312 55.5482 33.5194 172.7746 50 Y 5.9384 8.3479 116.9138 57.5970 41.8698 173.3740 51 K 4.6440 8.6965 118.1205 55.0349 36.9843 175.3629 52 T 5.0693 8.4097 118.0331 62.1804 73.0172 173.1956 53 Q 4.5166 8.0286 123.1405 55.1101 32.7722 173.4934 54 V 4.2124 8.3785 127.3826 63.0803 32.2000 175.6703 55 V 4.2164 8.6837 121.6331 60.8246 34.7593 174.9763 56 A 4.5028 8.7295 120.7161 51.3018 18.7335 178.2720 57 G 4.1623 6.8217 112.6591 46.6262 0.0000 171.5685 58 T 5.0464 8.1727 119.2906 62.0561 72.9576 172.6747 59 N 5.4978 9.3691 123.8625 51.9917 41.1445 173.3590 60 Y 5.0542 9.5351 121.8710 56.7722 40.7906 174.5371 61 Y 4.8698 9.3791 121.9113 56.1481 39.4915 173.7594 62 I 4.9219 8.7036 124.6388 59.4829 40.3484 174.8964 63 K 4.9667 9.3090 128.6977 55.1775 32.4774 173.8049 64 V 4.6336 8.5201 126.7667 61.1986 33.4677 174.6572 65 R 4.1949 9.7013 130.3112 55.8105 29.9280 175.8598 66 A 4.6756 7.5130 124.8106 52.3702 19.8561 176.4658 67 G 3.7230 8.2207 101.8872 45.3896 0.0000 172.7258 68 D 4.4813 8.2379 120.7227 55.1964 47.3800 174.3787 *92 N 4.9307 7.5750 117.7778 52.7589 39.1174 174.6511 93 K 4.7664 7.2431 118.1078 55.2767 36.3477 174.4245 94 Y 5.1095 9.0361 124.0470 56.5250 41.5253 174.5849 95 M 5.2323 9.1195 121.6927 53.9105 36.3994 174.7258 96 H 5.2185 8.9103 117.7448 54.4725 31.7394 173.2604 97 L 5.1264 8.9599 124.0451 53.4748 44.3926 176.1657 98 K 4.6316 8.9996 121.5617 54.9811 35.1273 175.1202 99 V 4.9920 8.8948 127.5461 61.0017 35.3542 173.8407 100 F 5.3114 9.1881 128.4639 56.4187 41.8887 173.6359 101 K 4.4796 8.6994 128.6191 54.7232 33.6020 176.2947 102 S 4.3864 8.0617 123.3389 57.7330 64.1879 174.0078 102A L 4.1537 8.3472 120.7119 54.1958 41.8781 176.7917 103 P 4.3744 0.0000 0.0000 64.0014 31.1790 177.0431 104 G 4.0731 7.9919 106.0973 45.3671 0.0000 173.9302 105 Q 4.2730 8.1841 117.1023 55.1730 29.0366 176.8666 105A N 4.0555 8.4750 116.6972 53.3547 37.3539 173.3666 106 E 3.9290 8.7494 118.5360 56.4470 29.7652 173.0604 107 D 5.0706 8.0158 120.2442 51.0420 42.0433 174.8174 108 L 4.3013 8.3799 119.4233 55.3134 42.1156 176.8762 109 V 4.3392 8.3912 124.3449 60.7090 33.8227 174.3621 110 L 4.6348 8.6774 130.5559 55.5656 41.4963 176.5808 111 T 4.2582 9.1652 118.3568 62.7680 69.8466 174.7677 112 G 4.3190 7.8802 109.3208 46.6671 0.0000 171.4364 113 Y 5.6060 7.9255 116.7632 55.7743 41.1628 174.1618 114 Q 4.4488 9.2595 121.2173 54.1605 31.2559 175.8043 115 V 3.9923 8.5473 117.5725 61.7606 32.9147 175.5012 115A D 4.3339 8.9220 122.0386 54.6939 37.6856 172.1498 116 K 4.5750 8.9778 120.8514 53.9977 35.8973 176.4989 117 N 4.8235 8.4806 120.4323 52.7100 39.3346 176.0921 118 K 2.4800 8.0462 121.3065 58.9315 32.3983 177.8520 119 D 4.3307 7.8858 117.1502 56.4934 41.4917 175.8565 120 D 4.2908 7.2817 116.9773 54.0411 40.9457 176.5154 121 E 4.0661 8.6962 125.3686 56.0380 30.3238 176.0329 122 L 4.3685 8.3854 126.1971 54.5491 42.5076 176.1136 123 T 4.7417 8.4803 112.0152 59.3362 72.0136 173.3651 124 G 4.0709 8.5471 111.1033 44.6958 0.0000 173.8200 125 F 4.4793 8.4117 113.3451 57.7373 37.2392 173.7660 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 M 8.30 4.36 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 7 I 7.69 4.28 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.90 0.00 0.00 8 P 0.00 4.63 0.00 2.02 2.02 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 G 7.51 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.35 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.83 4.62 0.00 1.29 1.24 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.32 4.40 0.00 3.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.49 4.19 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 14 A 8.24 4.58 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.05 4.68 0.00 1.77 1.64 0.00 0.61 0.00 0.00 0.68 0.00 0.00 2.74 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.20 1.21 7.81 16 P 0.00 4.77 0.00 2.01 2.06 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 17 A 8.70 4.52 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.93 4.66 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 19 P 0.00 4.21 0.00 2.14 2.14 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 20 E 7.74 3.92 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 21 I 7.80 3.36 1.75 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.13 0.74 0.00 0.00 22 Q 7.90 3.96 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 23 E 7.74 3.84 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 24 I 7.72 3.51 1.80 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.29 0.64 0.00 0.00 25 V 8.07 3.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 26 D 8.50 4.36 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.47 4.07 0.00 1.89 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 28 V 7.64 3.94 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 29 K 8.39 3.75 0.00 1.90 1.88 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.50 7.81 30 P 0.00 4.30 0.00 2.20 2.09 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 31 Q 8.67 4.88 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.64 2.23 0.00 32 L 7.83 3.74 0.00 1.68 1.61 -0.07 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.02 4.13 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 34 E 8.48 4.07 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 35 K 7.55 4.26 0.00 1.84 2.02 0.00 1.89 0.00 0.00 2.03 0.00 0.00 3.21 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.61 7.81 36 T 8.15 4.39 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 37 N 8.10 4.17 0.00 2.74 2.83 0.00 0.00 7.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.50 4.38 0.00 1.40 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.38 0.00 39 T 7.37 4.82 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 40 Y 8.44 4.55 0.00 2.98 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 7.91 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.60 4.19 0.00 1.83 1.96 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 45 L 8.50 4.70 0.00 1.49 1.62 0.59 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.54 4.50 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 47 A 9.39 4.39 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.55 4.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.17 0.00 0.00 49 Q 7.99 5.14 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 50 Y 8.35 5.94 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.70 4.64 0.00 1.61 1.47 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.34 7.81 52 T 8.41 5.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 53 Q 8.03 4.52 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 54 V 8.38 4.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 55 V 8.68 4.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.18 0.00 0.00 56 A 8.73 4.50 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 6.82 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.17 5.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 59 N 9.37 5.50 0.00 2.85 3.01 0.00 0.00 6.58 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 9.54 5.05 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 9.38 4.87 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.70 4.92 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 1.08 0.00 0.00 63 K 9.31 4.97 0.00 1.82 1.82 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.63 7.81 64 V 8.52 4.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 65 R 9.70 4.19 0.00 1.64 1.82 0.00 3.03 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.00 66 A 7.51 4.68 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.22 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.24 4.48 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 N 7.57 4.93 0.00 2.75 2.84 0.00 0.00 7.04 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.24 4.77 0.00 1.83 1.53 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.51 7.81 94 Y 9.04 5.11 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 M 9.12 5.23 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 96 H 8.91 5.22 0.00 3.14 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.96 5.13 0.00 1.71 1.63 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.00 4.63 0.00 1.35 1.75 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.60 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.97 0.21 7.81 99 V 8.89 4.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 100 F 9.19 5.31 0.00 3.24 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.70 4.48 0.00 1.97 1.80 0.00 2.05 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.35 7.81 102 S 8.06 4.39 0.00 3.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102A L 8.35 4.15 0.00 1.88 1.60 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.37 0.00 2.03 2.09 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 104 G 7.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.18 4.27 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 105A N 8.48 4.06 0.00 2.87 2.89 0.00 0.00 7.03 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.75 3.93 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 107 D 8.02 5.07 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.38 4.30 0.00 1.49 1.63 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.39 4.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.02 0.00 0.00 110 L 8.68 4.63 0.00 1.76 1.79 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.17 4.26 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 112 G 7.88 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.93 5.61 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 9.26 4.45 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 1.72 1.30 0.00 115 V 8.55 3.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 115A D 8.92 4.33 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.98 4.58 0.00 1.85 1.51 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.24 1.08 7.81 117 N 8.48 4.82 0.00 2.99 2.65 0.00 0.00 6.78 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.05 2.48 0.00 0.83 1.53 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.09 1.27 7.81 119 D 7.89 4.33 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.28 4.29 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.70 4.07 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 122 L 8.39 4.37 0.00 1.69 1.65 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.48 4.74 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 124 G 8.55 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.41 4.48 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.