NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3344 8.3193 115.2957 57.8227 63.0502 173.3381 2 W 4.5607 8.3623 125.2105 55.2880 29.5099 173.7739 3 D 4.9639 8.6646 118.8981 52.4158 43.7328 177.8478 4 V 4.0554 8.1954 123.1723 66.3481 32.1481 175.4747 5 I 4.3095 7.6222 123.1902 61.2827 36.9933 175.4565 6 K 4.4013 9.0525 128.1025 58.1981 32.6379 177.2153 7 H 4.6950 7.6494 112.6352 54.2576 30.9009 171.7112 8 P 4.4021 0.0000 0.0000 63.0877 32.0790 175.7657 9 H 4.6943 8.7859 125.0097 54.8386 30.1976 174.8956 10 V 4.1616 8.1455 126.8199 60.2596 31.8855 175.7191 11 T 4.6431 7.8638 114.3642 58.7780 73.2454 173.8673 12 E 3.8324 8.7641 120.5543 59.9219 29.5241 179.5977 13 K 3.8034 8.1098 118.2502 59.6449 31.8680 178.3325 14 A 3.9495 7.5560 119.6776 55.3826 18.2415 179.4825 15 M 3.9033 8.1117 117.1501 58.6117 32.0689 178.6544 16 N 3.6151 7.7345 116.0094 56.3373 38.7167 177.2068 17 D 4.6281 7.9305 119.4570 56.8472 40.5376 178.3541 18 M 4.3367 7.0484 119.2379 57.5254 32.5561 177.4615 19 D 4.4967 8.1052 118.3031 56.7457 41.1902 177.9947 20 F 5.0351 8.4204 116.5597 58.1374 39.6849 176.6259 21 Q 4.5147 7.5111 113.8590 54.3311 30.7198 174.2632 22 N 4.1730 8.1739 115.4128 54.9713 37.4907 173.2332 23 K 5.1312 8.3369 115.5573 54.4535 35.9498 176.1887 24 L 4.7037 9.2878 124.1188 53.0002 44.7631 175.2625 25 Q 5.1425 8.1614 121.0452 54.2938 31.4114 174.6382 26 F 5.2251 9.3681 121.2588 55.6062 43.8884 173.4330 27 A 5.1021 8.9863 122.4840 50.7030 20.9037 176.7027 28 V 5.0567 9.5092 115.6118 59.1051 37.1497 174.2916 29 D 4.4983 8.8774 122.2464 54.0436 41.4035 176.7652 30 D 4.3951 8.8477 125.7803 55.2968 39.3363 177.1710 31 R 4.0153 7.2194 117.7133 56.7963 30.6223 176.7366 32 A 4.7374 8.0820 122.0923 51.9573 19.1778 177.5557 33 S 4.8075 8.9453 116.5332 56.3550 66.6620 175.7590 34 K 3.9760 8.5747 121.4496 59.6887 31.7694 179.5335 35 G 3.6741 8.1019 105.1250 48.1113 0.0000 175.2979 36 E 4.0177 8.0865 121.2265 58.9189 29.3735 179.7903 37 V 3.5425 8.3197 118.5325 65.8964 31.6159 177.5760 38 A 3.9402 8.3718 120.9041 55.3879 18.1502 178.9724 39 D 4.2700 8.2497 116.1669 57.5511 40.9334 178.8758 40 A 3.9389 7.8201 120.9185 55.6413 18.4529 179.8607 41 V 3.5783 7.8841 116.2911 66.0395 31.4181 178.1122 42 E 4.0933 8.1403 118.2610 59.6446 29.2499 179.2039 43 E 4.0235 8.2372 116.4536 58.5978 29.5127 178.4829 44 Q 4.2407 7.6412 116.8486 56.5930 29.4358 175.7596 45 Y 4.5255 7.5492 113.6727 56.4062 40.1274 174.7464 46 D 4.3929 8.4009 118.7191 55.5643 39.7486 171.2892 47 V 5.1895 7.2127 110.2910 58.9879 36.5919 175.2145 48 T 4.7404 9.0187 116.9132 61.9796 70.9966 174.0756 49 V 4.2883 9.1014 128.0739 62.7783 31.6893 175.5455 50 E 4.5425 9.1505 126.9986 57.7032 31.2017 175.9824 51 Q 4.6275 7.5467 117.3342 55.1777 32.5712 173.0359 52 V 4.8948 8.3627 123.5297 61.3194 34.6720 173.9948 53 N 5.2558 9.2038 125.2116 51.6361 41.3518 173.7743 54 T 5.1801 8.3815 111.9932 60.2882 72.3269 172.9096 55 Q 4.5335 8.6613 122.5822 55.1162 33.1963 173.0654 56 N 4.9329 8.7155 124.0162 52.3639 39.0062 175.1316 57 T 4.0640 8.2759 120.9392 63.4460 69.6182 174.2193 58 M 4.4733 8.3887 120.0217 55.7599 31.9234 176.8581 59 D 4.7829 8.2381 116.4041 53.7860 42.0959 176.8640 60 G 3.9612 8.3574 108.2343 45.0450 0.0000 173.3893 61 E 4.4982 7.6841 118.6625 55.0515 32.3759 174.4093 62 K 4.9285 8.2875 121.2268 54.7963 34.9508 174.6861 63 K 4.9189 8.9687 128.6071 54.7883 34.5628 174.6489 64 A 5.1985 9.1357 128.2767 50.1732 22.5445 175.0873 65 V 4.3595 9.1835 123.0842 61.4887 33.0689 174.4227 66 V 4.7115 9.0005 129.6881 61.3273 33.4975 174.2901 67 R 4.8782 8.9123 129.0757 55.0969 31.7339 175.8958 68 L 5.0353 8.5077 126.8711 53.6472 43.7911 176.1939 69 S 4.5886 8.3611 114.8568 57.5427 64.3883 175.4922 70 E 4.0980 8.8055 119.4091 59.1713 29.3343 178.4569 71 D 4.5091 7.5478 117.6110 55.9772 41.5418 176.1445 72 D 4.8249 7.8788 119.1717 52.4901 42.7397 175.1745 73 D 4.7751 8.2843 120.9621 52.2495 42.3176 176.0396 74 A 3.9700 9.1640 130.6532 55.6548 18.8184 178.4816 75 Q 4.1569 8.4459 113.9215 59.3970 28.9704 179.7576 76 E 4.1107 8.9779 115.4435 58.6865 29.9684 177.2524 77 V 3.8109 7.9852 120.5300 62.6253 32.9138 175.7143 *78 A 4.3234 8.1528 123.6736 51.9521 19.8728 177.2091 79 S 4.3099 8.1987 114.4193 60.2971 63.0760 175.6129 80 R 4.7283 7.9257 116.4415 55.6535 29.7519 175.7759 81 I 4.1932 8.3488 118.2980 61.6640 37.6513 174.5248 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 S 8.32 4.33 0.00 3.78 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 2 W 8.36 4.56 0.00 3.76 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 3 D 8.66 4.96 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.20 4.06 2.11 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 1.05 0.00 0.00 0.97 0.00 0.00 5 I 7.62 4.31 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 1.05 0.00 0.00 6 K 9.05 4.40 0.00 1.82 1.94 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.44 7.81 7 H 7.65 4.69 0.00 3.27 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.40 0.00 1.94 1.83 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 9 H 8.79 4.69 0.00 3.13 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.15 4.16 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 0.78 0.00 0.00 0.87 0.00 0.00 11 T 7.86 4.64 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 1.09 0.00 0.00 12 E 8.76 3.83 0.00 2.04 2.04 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 2.39 2.44 0.00 13 K 8.11 3.80 0.00 1.80 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 14 A 7.56 3.95 1.47 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 0.00 0.00 15 M 8.11 3.90 0.00 1.90 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.84 0.00 16 N 7.73 3.62 0.00 2.75 2.57 0.00 0.00 7.10 7.36 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 17 D 7.93 4.63 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.05 4.34 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 19 D 8.11 4.50 0.00 2.03 2.72 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 20 F 8.42 5.04 0.00 3.00 2.97 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 21 Q 7.51 4.51 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 22 N 8.17 4.17 0.00 2.94 2.81 0.00 0.00 6.90 6.82 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 23 K 8.34 5.13 0.00 1.84 1.64 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.61 7.81 24 L 9.29 4.70 0.00 1.57 1.04 0.83 0.89 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 25 Q 8.16 5.14 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 26 F 9.37 5.23 0.00 2.94 2.92 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 0.00 0.00 0.00 27 A 8.99 5.10 1.04 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 0.00 0.00 28 V 9.51 5.06 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 29 D 8.88 4.50 0.00 3.01 2.31 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 30 D 8.85 4.40 0.00 2.73 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 31 R 7.22 4.02 0.00 0.67 1.74 0.00 2.21 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.07 0.00 32 A 8.08 4.74 1.50 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 0.00 0.00 33 S 8.95 4.81 0.00 4.06 4.04 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 34 K 8.57 3.98 0.00 1.83 1.93 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.54 7.81 35 G 8.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.09 4.02 0.00 2.36 2.07 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 2.35 2.37 0.00 37 V 8.32 3.54 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 1.03 0.00 0.00 1.00 0.00 0.00 38 A 8.37 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.27 0.00 2.69 2.97 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 40 A 7.82 3.94 1.39 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 41 V 7.88 3.58 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 0.81 0.00 0.00 0.43 0.00 0.00 42 E 8.14 4.09 0.00 2.21 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 2.34 2.65 0.00 43 E 8.24 4.02 0.00 1.91 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 2.33 2.34 0.00 44 Q 7.64 4.24 0.00 2.15 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 45 Y 7.55 4.53 0.00 2.95 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 46 D 8.40 4.39 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.21 5.19 2.12 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 1.27 0.00 0.00 1.01 0.00 0.00 48 T 9.02 4.74 4.37 0.00 0.00 0.00 0.00 0.00 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 49 V 9.10 4.29 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 0.77 0.00 0.00 0.93 0.00 0.00 50 E 9.15 4.54 0.00 1.84 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 2.27 2.39 0.00 51 Q 7.55 4.63 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 52 V 8.36 4.89 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 0.89 0.00 0.00 0.94 0.00 0.00 53 N 9.20 5.26 0.00 2.66 2.67 0.00 0.00 6.13 6.57 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 54 T 8.38 5.18 4.24 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 0.00 0.00 0.00 1.22 0.00 0.00 55 Q 8.66 4.53 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 56 N 8.72 4.93 0.00 2.63 2.75 0.00 0.00 7.05 7.54 0.00 0.00 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 T 8.28 4.06 4.35 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 1.25 0.00 0.00 58 M 8.39 4.47 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 59 D 8.24 4.78 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.68 4.50 0.00 1.94 1.91 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 2.36 2.31 0.00 62 K 8.29 4.93 0.00 1.72 1.79 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.51 7.81 63 K 8.97 4.92 0.00 1.80 1.58 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.39 7.81 64 A 9.14 5.20 1.26 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 0.00 0.00 0.00 65 V 9.18 4.36 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 0.92 0.00 0.00 0.92 0.00 0.00 66 V 9.00 4.71 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 0.89 0.00 0.00 1.01 0.00 0.00 67 R 8.91 4.88 0.00 1.93 1.78 0.00 3.15 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 68 L 8.51 5.04 0.00 1.58 1.61 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.36 4.59 0.00 3.94 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 70 E 8.81 4.10 0.00 1.99 2.07 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 2.33 2.34 0.00 71 D 7.55 4.51 0.00 2.53 2.74 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 72 D 7.88 4.82 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.28 4.78 0.00 2.64 2.72 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 74 A 9.16 3.97 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 75 Q 8.45 4.16 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 76 E 8.98 4.11 0.00 2.04 2.03 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 2.36 2.54 0.00 77 V 7.99 3.81 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.02 0.00 0.00 *78 A 8.15 4.32 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 79 S 8.20 4.31 0.00 4.03 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 0.00 80 R 7.93 4.73 0.00 1.96 2.05 0.00 3.10 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.60 0.00 81 I 8.35 4.19 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.