NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5264 8.2227 120.1804 54.3338 43.5551 177.3446 3 K 3.5086 7.7688 119.1140 59.0461 32.2261 177.3679 4 L 3.8520 8.4329 119.9785 57.8954 41.8873 179.1074 5 T 3.8313 7.7522 115.2329 66.8292 68.4031 175.8574 6 H 4.1085 7.9044 119.7611 59.5852 29.9344 176.7495 7 Y 4.2555 8.2221 118.4896 61.2117 37.7039 178.9875 8 R 3.8460 8.3137 118.8938 59.6330 30.2652 178.7111 9 H 4.0979 8.3977 115.8920 59.2432 28.6412 177.9834 10 T 3.7983 8.0756 117.4677 66.6561 68.3100 176.6275 11 I 3.5619 7.5309 121.5533 64.5586 37.0291 178.5099 12 Q 3.9478 7.6822 118.5426 59.0226 28.5362 178.8116 13 E 3.9441 8.1615 119.5516 59.3223 29.5262 179.5608 14 I 3.7708 7.9967 120.0114 64.4513 37.2365 178.3105 15 I 3.8587 8.2478 119.8392 64.1804 37.8303 177.9823 16 K 3.9022 8.2870 119.4737 59.1478 31.8047 179.1567 17 K 3.7748 8.0586 119.8401 59.8796 32.2938 178.5667 18 Y 3.9444 7.8919 116.7967 60.9082 37.2711 177.6909 19 Y 2.3900 7.7179 120.4837 60.3975 38.6813 178.1488 20 D 4.3131 8.0740 119.6563 57.1289 40.6218 178.5694 21 L 3.9075 7.5318 120.2832 57.9212 42.0954 178.6694 22 S 4.4142 7.8137 112.5302 60.3620 62.4084 174.5391 23 N 4.8059 7.1145 115.3908 52.0709 37.3998 175.4176 24 S 3.6539 7.7368 118.1904 60.4829 62.0041 172.3805 *38 L 4.1234 7.2909 119.8572 54.2179 42.6002 175.5735 39 P 4.2410 0.0000 0.0000 64.3630 31.6887 176.7983 40 D 4.9326 7.9622 117.6033 54.4855 41.8711 176.2856 41 T 4.4434 7.2382 109.7854 60.9859 69.8762 174.7634 42 V 3.8189 8.5739 123.7103 63.7184 32.0085 175.3070 43 G 4.3867 9.0019 114.7628 44.4124 0.0000 171.0741 44 D 5.5391 8.7938 121.5870 53.8900 42.3062 176.1897 45 R 4.8836 9.7068 120.9422 54.4212 34.5057 173.7614 46 L 4.9762 8.4263 124.5878 53.3825 44.2141 175.7402 47 I 4.4368 9.2443 126.5367 59.7135 40.0359 173.8224 48 I 4.6279 8.2670 127.7302 59.4901 39.1338 175.1422 49 D 4.6233 8.6919 128.0065 52.2336 42.3131 176.1602 50 E 4.1244 8.7044 126.5461 59.2238 30.1662 179.8514 51 Q 3.9812 8.3318 116.9145 58.9689 28.7355 177.5936 52 R 4.2385 8.0052 112.9996 55.4010 31.1389 175.8266 53 D 4.3136 7.3620 117.2635 55.9078 38.9768 173.2980 54 Q 4.9351 7.5074 117.0013 54.2507 32.4532 176.0297 55 Y 5.1897 9.2549 121.0858 56.2954 41.7926 174.2018 56 L 5.4495 9.2643 126.2110 53.0970 46.4320 174.6460 57 W 5.6430 9.6955 135.0000 55.6554 33.5904 173.9802 58 L 5.3263 9.2879 126.6824 54.0395 44.2137 174.8134 59 C 5.4903 8.9053 113.8203 56.8690 33.0025 172.5837 60 C 4.9603 8.8334 120.3573 57.4098 35.1382 174.3278 61 G 4.1259 7.0826 111.3117 45.7154 0.0000 170.5818 62 W 5.1320 8.6843 120.9630 55.0054 32.4181 175.2307 63 D 4.8300 9.0606 123.6397 52.8904 41.0947 177.4921 64 G 3.9498 8.0601 118.6257 46.4413 0.0000 173.5046 65 K 4.2771 8.9403 124.2314 56.7915 33.1393 176.0904 66 K 4.3438 8.2084 123.2570 55.1926 32.6581 175.2815 67 R 2.9216 8.3808 127.6139 55.8185 30.7753 175.3604 68 V 4.1561 8.0565 126.8974 61.2939 33.9631 174.6362 69 Q 5.0200 8.2686 127.9709 55.7105 30.4091 171.3406 70 H 4.8365 9.1695 124.7354 53.8119 33.4071 171.8890 71 I 3.9938 8.2487 126.8714 61.6010 37.0965 175.4496 72 I 3.7882 8.4043 128.6434 62.5557 38.2694 176.3412 73 L 4.9105 7.4229 123.0129 53.6180 45.7004 174.1349 74 Y 5.6597 9.2033 126.9413 56.3991 42.2218 173.6115 75 L 5.4877 9.6563 126.4924 53.1894 46.4449 175.5373 76 Q 5.2179 9.0013 118.5713 55.0225 32.6998 173.3145 77 I 5.3067 8.4506 121.6431 59.7160 39.3647 175.5500 78 Q 4.4982 9.3070 124.5596 56.0081 31.5813 174.4941 79 N 4.3274 9.7442 118.3178 54.5760 36.1721 174.8363 80 G 4.0630 8.6031 101.6151 46.1107 0.0000 173.8415 81 K 4.9944 7.9543 117.7179 54.3349 36.5071 175.2590 82 I 4.7913 8.8380 124.1559 60.1930 38.8867 174.8040 83 W 4.8229 9.5953 128.4527 55.2137 31.0755 175.7716 84 I 4.3610 8.9616 127.7276 60.6137 36.5280 176.3676 85 E 4.3557 9.3270 128.8695 58.2567 31.1746 176.8125 86 E 4.8091 8.1043 119.6278 54.5964 33.4063 173.7351 87 D 4.9489 8.2684 125.6218 52.5391 43.6042 175.0475 88 S 4.4458 8.5908 119.9766 58.4886 64.0778 174.3869 89 T 4.2290 8.3137 111.4987 60.7333 68.9737 174.1582 90 N 4.2159 8.7080 117.5437 54.8596 36.1497 174.7901 91 L 3.7237 8.7110 114.5627 55.5129 40.5728 176.8376 92 A 4.0563 7.7069 123.0253 55.1932 17.9300 180.2563 93 I 3.6903 7.3746 110.8802 64.1815 37.5613 178.4397 94 V 3.6770 7.6262 118.6724 65.6695 31.7726 176.8680 95 D 4.5419 8.1175 117.8466 57.3228 41.0211 179.1270 96 E 3.9387 8.1685 117.7260 56.5303 29.3738 179.0378 *98 L 4.3893 7.9130 120.6143 54.9258 43.6797 179.5901 99 V 3.4914 7.6942 116.6371 65.8369 31.4536 176.4553 100 A 4.2484 7.9971 120.0241 52.2734 18.0489 178.0004 101 G 3.9277 8.2737 104.7413 45.9631 0.0000 174.0579 102 I 3.9692 7.5007 121.0075 59.7459 37.7503 174.2591 103 P 4.4692 0.0000 0.0000 62.2247 32.1767 177.4737 104 Q 3.9903 8.6245 118.5830 59.2966 28.7115 178.6632 105 T 3.8557 7.8474 107.7514 64.0413 69.0863 174.3849 106 D 4.6925 8.0516 121.1422 54.0803 41.0965 175.1421 107 I 4.7731 7.3807 120.9746 59.4343 39.5355 174.9901 108 I 3.9732 8.5723 128.1276 59.3406 40.1459 175.3592 109 L 4.1724 7.9926 127.1443 52.8972 40.3054 176.9746 110 G 4.0827 9.0316 111.3406 48.4006 0.0000 172.3653 111 F 4.5135 8.1648 114.1956 58.8066 38.3150 174.6928 112 H 4.6048 7.0376 118.7953 53.8110 29.8747 174.0371 113 H 3.8690 8.8071 123.0746 55.8409 30.4547 173.4440 114 P 4.2173 0.0000 0.0000 65.8316 31.4110 178.4009 115 S 4.1665 8.2781 111.3488 61.1745 62.6956 175.1121 116 K 4.3344 8.0386 117.6825 56.6107 32.0812 177.2907 117 R 4.2709 7.6853 118.3039 57.3789 31.3752 176.6523 118 G 3.7142 7.9230 110.0895 45.7313 0.0000 173.1019 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 2 D 8.22 4.53 0.00 2.65 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 3 K 7.77 3.51 0.00 1.74 1.48 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 1.25 7.81 4 L 8.43 3.85 0.00 1.68 1.71 0.92 0.77 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 5 T 7.75 3.83 4.31 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 1.09 0.00 0.00 6 H 7.90 4.11 0.00 3.21 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.22 4.26 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.31 3.85 0.00 2.15 2.09 0.00 3.23 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 9 H 8.40 4.10 0.00 3.31 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.08 3.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 11 I 7.53 3.56 1.16 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 0.43 0.00 0.00 12 Q 7.68 3.95 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 13 E 8.16 3.94 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 14 I 8.00 3.77 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.11 1.09 0.00 0.00 15 I 8.25 3.86 2.04 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 1.03 0.00 0.00 16 K 8.29 3.90 0.00 1.87 1.82 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 17 K 8.06 3.77 0.00 1.84 1.90 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.40 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.82 1.23 7.81 18 Y 7.89 3.94 0.00 3.31 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.72 2.39 0.00 2.24 2.77 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 20 D 8.07 4.31 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.53 3.91 0.00 1.72 1.79 0.75 1.03 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 22 S 7.81 4.41 0.00 4.37 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 23 N 7.11 4.81 0.00 2.71 2.69 0.00 0.00 7.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.74 3.65 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 4.12 0.00 1.76 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.24 0.00 2.13 2.12 0.00 3.74 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 2.05 2.13 0.00 40 D 7.96 4.93 0.00 2.76 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 41 T 7.24 4.44 4.29 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 0.00 0.00 0.00 1.26 0.00 0.00 42 V 8.57 3.82 2.10 0.00 0.00 0.00 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 0.95 0.00 0.00 43 G 9.00 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.79 5.54 0.00 2.64 3.07 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 45 R 9.71 4.88 0.00 1.82 1.82 0.00 3.38 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 46 L 8.43 4.98 0.00 0.36 1.05 0.72 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 47 I 9.24 4.44 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.87 0.00 0.00 48 I 8.27 4.63 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 1.09 0.00 0.00 49 D 8.69 4.62 0.00 2.53 2.42 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 0.00 50 E 8.70 4.12 0.00 2.11 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 2.69 2.42 0.00 51 Q 8.33 3.98 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 52 R 8.01 4.24 0.00 1.76 1.92 0.00 3.28 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 53 D 7.36 4.31 0.00 3.05 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 54 Q 7.51 4.94 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 55 Y 9.25 5.19 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.26 5.45 0.00 1.69 1.42 0.32 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.70 5.64 0.00 3.36 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.29 5.33 0.00 1.89 1.66 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.91 5.49 0.00 3.01 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.83 4.96 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.08 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 8.68 5.13 0.00 3.33 3.39 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 0.00 0.00 0.00 0.00 63 D 9.06 4.83 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.94 4.28 0.00 1.95 1.97 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.49 7.81 66 K 8.21 4.34 0.00 1.97 1.96 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.24 7.81 67 R 8.38 2.92 0.00 0.78 1.43 0.00 2.56 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.00 68 V 8.06 4.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.85 0.00 0.00 69 Q 8.27 5.02 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.47 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 70 H 9.17 4.84 0.00 3.16 3.00 0.00 5.83 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.25 3.99 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.87 0.00 0.00 72 I 8.40 3.79 0.57 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.22 -0.43 0.00 0.00 73 L 7.42 4.91 0.00 1.75 1.79 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.20 5.66 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.66 5.49 0.00 1.76 1.58 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 9.00 5.22 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 77 I 8.45 5.31 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 1.09 0.00 0.00 78 Q 9.31 4.50 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.29 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 79 N 9.74 4.33 0.00 2.99 3.02 0.00 0.00 7.02 7.65 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 80 G 8.60 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.95 4.99 0.00 2.07 1.63 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.68 7.81 82 I 8.84 4.79 1.75 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.90 0.00 0.00 83 W 9.60 4.82 0.00 3.15 3.29 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 0.00 0.00 0.00 0.00 84 I 8.96 4.36 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 1.13 0.00 0.00 85 E 9.33 4.36 0.00 1.81 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 1.92 1.47 0.00 86 E 8.10 4.81 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 87 D 8.27 4.95 0.00 2.40 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.59 4.45 0.00 3.85 3.83 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 0.00 0.00 0.00 89 T 8.31 4.23 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 90 N 8.71 4.22 0.00 2.85 2.90 0.00 0.00 7.10 7.85 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 91 L 8.71 3.72 0.00 1.87 1.82 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.71 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 3.69 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.64 0.00 0.00 94 V 7.63 3.68 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 95 D 8.12 4.54 0.00 2.86 2.82 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 96 E 8.17 3.94 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 *98 L 7.91 4.39 0.00 1.87 1.74 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.69 3.49 2.24 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 0.75 0.00 0.00 0.99 0.00 0.00 100 A 8.00 4.25 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.50 3.97 1.69 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.31 0.00 0.00 103 P 0.00 4.47 0.00 2.22 2.19 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 104 Q 8.62 3.99 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 105 T 7.85 3.86 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 106 D 8.05 4.69 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.38 4.77 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.79 0.00 0.00 108 I 8.57 3.97 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.36 -0.26 0.00 0.00 109 L 7.99 4.17 0.00 1.11 0.48 0.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 110 G 9.03 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.16 4.51 0.00 3.17 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.04 4.60 0.00 2.79 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.81 3.87 0.00 3.14 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.22 0.00 2.13 2.11 0.00 3.18 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 115 S 8.28 4.17 0.00 4.01 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 0.00 116 K 8.04 4.33 0.00 1.77 1.87 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.46 7.81 117 R 7.69 4.27 0.00 1.81 1.85 0.00 3.04 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 118 G 7.92 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.