NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6298 8.1476 118.3347 55.0821 33.3327 174.0028 2 V 4.1712 8.2800 117.8682 61.6877 32.7286 173.7109 3 K 4.9698 10.0851 122.4436 54.4780 38.2222 176.2074 4 I 5.1407 8.0351 120.4787 60.1131 40.6349 175.2816 5 R 4.8296 9.1428 123.1789 55.6097 33.3735 173.2068 6 L 4.7977 8.5073 119.0564 53.8491 42.8436 176.6145 7 A 4.5416 8.7471 127.0831 50.0397 20.0864 176.2754 8 R 3.8946 8.4696 122.0567 58.2588 30.9693 175.0064 9 F 4.5376 8.3175 119.9502 57.6301 43.2270 173.4151 10 G 4.0555 9.0047 107.8709 45.2552 0.0000 173.7910 11 S 4.2593 8.2219 115.9827 57.8357 63.3259 173.6351 12 K 4.0459 8.3182 122.0003 58.1589 32.2380 175.9597 13 H 4.2101 8.7322 121.2822 56.6683 26.5612 174.7177 14 N 5.0027 7.8835 113.3903 51.3381 39.0435 172.0938 15 P 4.0863 0.0000 0.0000 63.6089 32.6981 176.2417 16 H 4.4737 7.5502 112.0254 54.2745 30.5812 173.8150 17 Y 4.4811 7.1262 116.4983 58.1684 39.5363 177.5050 18 R 4.6771 9.0412 120.4794 54.4400 33.2454 174.4197 19 I 4.1909 8.3918 129.1199 62.0219 38.1549 175.8578 20 V 4.7151 8.9463 126.1222 60.2533 35.7200 174.5698 21 V 5.3561 8.6808 115.0283 59.7083 33.4378 174.5377 22 T 5.1580 8.0123 118.5370 59.9539 72.5514 171.3663 23 D 5.1835 8.4535 119.5955 52.7829 42.6906 178.2017 24 A 4.0800 9.1496 129.4358 55.3282 18.4647 178.3766 25 R 4.4235 8.5264 113.3041 56.2604 30.0513 176.7265 26 R 4.3732 8.0525 119.1339 54.8683 31.6015 175.9816 27 K 4.3326 8.1385 117.6570 55.5093 33.4425 176.2871 28 R 3.5390 7.9295 114.9899 61.5871 30.4119 176.2617 29 D 4.5862 7.8339 120.3974 54.3326 41.5639 177.2816 30 G 3.8302 7.6673 112.4026 45.1905 0.0000 174.6111 31 K 4.1022 8.3781 123.7067 54.9234 31.5126 176.4200 32 Y 4.5315 7.5618 124.5506 56.2007 39.1707 177.0028 33 I 3.8140 8.5140 123.7781 64.4328 37.9349 176.0908 34 E 4.9123 7.5986 116.6734 55.3698 33.6409 174.9248 35 K 4.3721 8.7296 127.1338 54.8230 33.4731 176.6456 36 I 4.5593 8.0620 119.3981 58.8240 36.2247 175.6682 37 G 4.5700 8.6282 110.5529 47.6901 0.0000 170.0715 38 Y 5.1720 6.9884 117.2077 57.4933 41.2290 173.6465 39 Y 5.7122 8.2911 117.8278 58.3346 42.4531 172.9005 40 D 4.9477 8.7133 128.7831 51.5022 42.0134 174.7876 41 P 5.2167 0.0000 0.0000 63.2664 30.7995 177.3197 42 R 4.4319 8.3866 116.8673 55.5174 31.4810 175.9453 43 K 3.8567 8.1640 116.5637 57.2493 30.1903 176.3376 44 T 4.0278 7.7043 108.4668 63.7811 69.1603 174.5012 45 T 4.6906 7.6703 119.2036 60.7010 70.4752 173.5773 46 P 4.5088 0.0000 0.0000 65.0797 31.8611 176.3963 47 D 5.1213 7.5233 118.2024 52.7690 40.5133 175.8258 48 W 4.4863 8.8071 120.9515 59.1482 29.2661 177.2213 49 L 4.4591 6.1027 119.2780 52.6498 43.5757 175.1760 50 K 4.0563 7.5435 121.6304 56.1572 35.1252 173.9518 51 V 4.5142 8.1385 126.9386 61.7170 33.4930 172.6123 52 D 4.2801 8.7709 128.6831 55.2528 41.5438 177.2802 53 V 3.8574 8.4917 119.4301 63.4908 31.8896 178.0850 54 E 3.9654 8.2215 117.4034 59.3880 29.5958 179.1678 55 R 4.0274 8.3655 117.7909 59.0374 30.1019 178.5451 56 A 4.1299 7.8959 119.9672 55.9070 18.1965 179.4860 57 R 3.8827 8.1029 116.4167 59.5827 30.1194 177.9982 58 Y 4.1473 7.9490 119.6423 60.5436 38.5326 178.7766 59 W 4.5817 8.0286 119.0299 59.9601 29.6015 178.1408 60 L 4.2796 7.8431 118.9087 57.4987 41.2053 179.4427 61 S 4.2290 8.4941 114.6366 60.2241 62.6166 175.7940 62 V 4.2315 7.2626 115.0956 60.5631 31.8374 171.7878 63 G 3.7897 9.1120 117.0254 45.7382 0.0000 175.2627 64 A 4.8325 8.3710 125.6429 50.3518 19.2900 175.5754 65 Q 4.0055 7.9047 120.3323 55.4210 30.1842 176.3541 66 P 4.9896 0.0000 0.0000 60.7687 34.1586 175.1110 67 T 3.9863 8.2429 117.9031 63.9759 69.3895 174.8203 68 D 4.2834 8.6240 122.6846 58.2534 41.0211 179.0736 69 T 4.0529 7.9004 108.1162 62.6331 67.0776 174.8151 70 A 4.6364 7.9667 123.6050 52.5430 20.6437 179.1653 71 R 3.9985 7.9666 117.3793 59.9412 30.0725 178.0716 72 R 3.9426 8.1872 117.5909 60.1663 29.6951 178.0991 73 L 3.7726 7.7639 117.9587 57.2072 41.6899 179.4515 74 L 3.9886 7.5901 118.6853 57.6821 41.8682 178.6428 75 R 4.2606 8.9757 119.0004 59.6751 29.9203 180.4346 76 Q 4.4960 8.1738 118.4160 55.1211 29.1657 176.9680 77 A 4.2688 8.8545 118.4907 52.0189 21.0894 177.3481 78 G 3.7362 8.1153 105.9098 47.8728 0.0000 173.2278 79 V 3.9245 7.4941 118.4453 64.3571 33.8384 176.3944 80 F 4.5787 7.6921 115.3321 58.4071 39.6760 176.2684 81 R 4.1255 7.9597 120.0467 56.9814 30.1639 175.5113 82 Q 4.5666 8.1335 115.7733 54.6843 33.4486 177.5684 83 E 3.5166 8.6817 117.8178 57.3144 27.5654 173.9963 *84 A 4.1104 9.2071 129.7005 53.1662 18.9361 177.7321 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 1 M 8.15 4.63 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 2 V 8.28 4.17 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 0.77 0.00 0.00 0.78 0.00 0.00 3 K 10.09 4.97 0.00 1.59 1.69 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.24 7.81 4 I 8.04 5.14 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.93 0.00 0.00 5 R 9.14 4.83 0.00 1.80 2.02 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 6 L 8.51 4.80 0.00 1.48 1.79 0.97 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.75 4.54 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.89 0.00 1.73 1.62 0.00 3.16 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.40 0.00 9 F 8.32 4.54 0.00 3.10 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 10 G 9.00 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 11 S 8.22 4.26 0.00 3.89 3.85 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 12 K 8.32 4.05 0.00 1.63 1.61 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.92 1.29 7.81 13 H 8.73 4.21 0.00 3.35 3.33 0.00 5.73 0.00 0.00 0.00 0.00 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.88 5.00 0.00 2.60 2.85 0.00 0.00 7.00 8.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.09 0.00 1.99 1.77 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 16 H 7.55 4.47 0.00 3.15 3.27 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.13 4.48 0.00 2.86 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 18 R 9.04 4.68 0.00 2.52 2.13 0.00 3.24 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 19 I 8.39 4.19 2.24 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.93 0.00 0.00 20 V 8.95 4.72 2.17 0.00 0.00 0.00 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 0.12 0.00 0.00 21 V 8.68 5.36 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 0.55 0.00 0.00 0.51 0.00 0.00 22 T 8.01 5.16 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 1.33 0.00 0.00 23 D 8.45 5.18 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.15 4.08 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 25 R 8.53 4.42 0.00 1.87 1.95 0.00 3.16 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 R 8.05 4.37 0.00 1.86 1.88 0.00 3.24 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 27 K 8.14 4.33 0.00 1.91 1.91 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 28 R 7.93 3.54 0.00 1.78 1.84 0.00 3.28 0.00 0.00 3.24 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 29 D 7.83 4.59 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.67 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 0.00 0.00 0.00 31 K 8.38 4.10 0.00 1.66 1.73 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.31 7.81 32 Y 7.56 4.53 0.00 3.09 3.11 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 33 I 8.51 3.81 1.66 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 1.15 0.62 0.84 0.00 0.00 34 E 7.60 4.91 0.00 2.26 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 2.20 2.28 0.00 35 K 8.73 4.37 0.00 1.33 1.59 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.25 7.81 36 I 8.06 4.56 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 1.05 0.00 0.00 37 G 8.63 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.99 5.17 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.29 5.71 0.00 2.99 2.95 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 40 D 8.71 4.95 0.00 2.82 2.81 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 41 P 0.00 5.22 0.00 2.34 2.19 0.00 3.19 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 42 R 8.39 4.43 0.00 1.95 1.97 0.00 3.31 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 43 K 8.16 3.86 0.00 1.39 1.06 0.00 1.31 0.00 0.00 1.26 0.00 0.00 2.29 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.83 7.81 44 T 7.70 4.03 4.25 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 1.27 0.00 0.00 45 T 7.67 4.69 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 1.38 0.00 0.00 46 P 0.00 4.51 0.00 2.27 2.26 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 47 D 7.52 5.12 0.00 2.88 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 48 W 8.81 4.49 0.00 4.06 3.42 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 49 L 6.10 4.46 0.00 0.57 0.63 0.61 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.54 4.06 0.00 1.31 0.74 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.06 0.98 7.81 51 V 8.14 4.51 1.93 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 0.64 0.00 0.00 0.82 0.00 0.00 52 D 8.77 4.28 0.00 2.79 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 53 V 8.49 3.86 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 0.74 0.00 0.00 0.87 0.00 0.00 54 E 8.22 3.97 0.00 2.08 1.99 0.00 0.00 0.00 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 2.33 0.00 55 R 8.37 4.03 0.00 1.89 2.17 0.00 3.28 0.00 0.00 3.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 56 A 7.90 4.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.88 0.00 2.07 1.94 0.00 3.30 0.00 0.00 3.05 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 58 Y 7.95 4.15 0.00 2.81 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 59 W 8.03 4.58 0.00 3.40 3.27 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 0.00 60 L 7.84 4.28 0.00 2.05 1.77 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.49 4.23 0.00 3.87 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 4.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.77 0.00 0.00 63 G 9.11 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.83 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 4.01 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 66 P 0.00 4.99 0.00 2.10 2.07 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 67 T 8.24 3.99 4.25 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 1.20 0.00 0.00 68 D 8.62 4.28 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.90 4.05 4.25 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 1.20 0.00 0.00 70 A 7.97 4.64 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.97 4.00 0.00 2.16 1.99 0.00 3.05 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 72 R 8.19 3.94 0.00 1.92 1.90 0.00 3.26 0.00 0.00 3.35 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 73 L 7.76 3.77 0.00 1.58 1.49 1.16 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.59 3.99 0.00 2.01 1.36 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.98 4.26 0.00 2.37 2.23 0.00 3.13 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 76 Q 8.17 4.50 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 77 A 8.85 4.27 1.10 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 0.00 0.00 78 G 8.12 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.49 3.92 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 0.68 0.00 0.00 80 F 7.69 4.58 0.00 3.07 3.03 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 0.00 81 R 7.96 4.13 0.00 1.78 1.86 0.00 3.20 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 82 Q 8.13 4.57 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.91 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 83 E 8.68 3.52 0.00 2.15 1.62 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 2.20 2.23 0.00 *84 A 9.21 4.11 1.23 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 * Residues marked with a * may have inaccurate shift predictions.