NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 Q 4.4070 8.1876 119.6361 55.3900 31.3846 173.0614 1 C 5.1286 8.0624 113.2748 51.8983 43.2729 171.4301 2 Y 5.0249 8.9255 119.8264 55.8212 40.8841 175.6013 3 H 4.9996 9.0782 118.0243 54.0296 31.9415 178.1122 4 G 4.1601 8.8512 110.9035 47.2852 0.0000 174.3068 5 N 4.6813 9.3109 120.9537 52.0188 37.6068 175.5865 6 G 3.8000 8.9132 107.9502 46.0861 0.0000 175.8297 7 Q 4.0101 8.0950 119.4314 58.5770 28.7895 177.3830 8 S 4.5336 7.9589 110.8245 58.5153 63.8350 173.5874 9 Y 4.4369 7.7245 123.6883 57.8642 38.9713 176.1343 10 R 4.7111 7.6161 127.0073 55.5476 31.4549 175.4450 11 G 3.7767 5.5546 105.8648 44.4545 0.0000 174.0207 12 T 3.0405 7.8701 106.2933 60.6088 69.0153 174.5747 13 F 4.2946 8.1525 125.0010 58.9185 40.2462 175.2635 14 S 5.1022 7.6768 121.3635 58.5527 64.0389 172.9797 15 T 5.0403 7.5982 115.6795 63.0158 72.2361 174.1719 16 T 4.7915 8.7970 122.4459 62.9109 69.6317 176.3184 17 V 3.6958 8.3636 123.2566 65.1858 31.3949 177.7366 18 T 3.9135 7.5069 113.3959 63.1354 67.3307 175.1167 19 G 3.9228 8.0247 108.9736 45.3721 0.0000 173.3091 20 R 4.2114 7.7347 119.9379 56.4750 31.8609 175.0105 21 T 4.8436 8.1887 117.8848 61.8713 71.1114 175.0734 22 C 4.9483 8.4398 122.5171 56.9542 40.9870 173.4053 23 Q 4.3775 8.8933 124.4265 55.2717 29.9923 175.8770 24 S 4.2786 8.3953 120.8500 58.0690 63.6049 175.6007 25 W 4.3820 8.2521 125.3219 59.8929 28.9656 178.0194 26 S 4.3118 8.1718 111.5181 60.3779 62.8908 174.3390 27 S 4.3474 7.7104 116.2919 58.2105 62.6074 173.5016 28 M 4.3561 8.4713 125.0606 55.5156 32.4512 176.0321 29 T 4.6492 7.6077 115.9615 60.9317 71.7183 172.5698 30 P 4.3347 0.0000 0.0000 64.5689 32.0094 175.8366 31 H 4.8563 8.1611 116.6561 53.8595 30.3214 174.1692 32 R 4.2429 8.3174 124.3682 55.7494 30.9115 174.7188 33 H 4.6362 7.8963 118.2585 55.7586 30.7158 173.1982 34 Q 4.6516 8.8461 115.3162 56.0028 29.6019 177.5617 35 R 4.5333 8.2819 120.4260 54.8830 28.8960 175.3753 *37 T 4.6179 7.5693 109.6407 60.4948 70.5663 174.1462 38 P 4.2561 0.0000 0.0000 65.9785 31.3937 178.4849 39 E 3.9792 8.3461 117.7554 59.1693 29.4816 177.5825 40 N 4.5478 8.3392 114.5734 54.4092 39.7791 175.0284 41 Y 4.6952 7.5521 114.7416 55.7665 38.1664 174.3051 42 P 4.8456 0.0000 0.0000 63.8866 32.1213 177.3249 43 N 5.0094 8.0631 114.6758 53.1123 39.1819 174.2928 44 D 4.7504 7.9187 115.6344 53.3617 41.5648 176.3381 45 G 3.8444 7.9115 105.9861 46.7704 0.0000 174.9459 46 L 3.6045 7.5047 115.3185 54.0049 41.1973 178.2462 47 T 4.2334 7.6191 116.1429 64.6742 71.0390 175.3812 48 M 2.9015 8.0944 125.5058 56.5805 31.7742 177.7607 49 N 5.1304 8.2362 120.9377 53.3732 37.7193 173.9204 50 Y 4.8836 7.7818 116.0484 59.1323 38.5941 175.5103 51 C 4.8789 9.1511 121.7440 57.7638 41.8567 173.3224 52 R 4.5406 8.9294 120.9902 55.3508 34.8435 174.2292 53 N 5.2331 7.8503 115.5412 52.5774 38.0157 172.6798 54 P 4.2463 0.0000 0.0000 63.9537 32.3301 177.6532 55 D 4.7547 8.1663 117.2334 52.2820 39.8156 175.8164 56 A 3.7005 8.0091 119.5047 53.7833 15.9366 176.8600 57 D 4.7106 9.8095 121.5381 54.4101 43.1684 175.4408 58 T 4.1984 9.2188 108.8161 62.2913 69.2878 174.4122 *60 G 3.0885 7.6249 110.4488 44.1275 0.0000 170.7320 61 P 4.7633 0.0000 0.0000 62.4854 32.6312 175.8389 62 W 6.0833 9.0564 120.3859 55.8546 32.6900 170.7317 63 C 4.5895 9.3554 112.9406 54.2407 43.0950 173.5638 64 F 4.9183 7.9179 118.0574 58.0408 39.8383 174.7519 65 T 5.0915 8.4982 117.6220 62.4540 70.4711 175.1303 66 T 4.1400 8.5168 119.4824 65.0541 69.5247 174.8195 67 D 4.4549 8.0988 121.8600 53.0668 40.7350 174.6216 68 P 4.2202 0.0000 0.0000 65.3232 31.5745 178.1542 69 S 4.2932 8.6315 114.0714 59.8965 63.0686 174.1289 70 I 4.3338 7.5305 120.9535 59.1479 38.5489 175.1830 71 R 3.7454 8.6398 126.8368 58.4884 30.5369 175.9494 72 W 5.4560 7.4891 112.0182 56.0520 31.0038 172.5243 73 E 3.7530 8.7425 118.5628 55.0584 34.2332 174.5068 74 Y 4.8443 8.0650 118.5697 58.5413 39.2496 176.1961 75 C 5.0810 9.1009 119.8289 56.1162 41.7416 174.3450 76 N 4.7631 8.9980 121.8241 53.0957 35.7785 173.8558 77 L 4.6903 7.5995 119.8324 52.8242 46.7019 176.1497 78 T 4.3406 7.8225 114.1248 60.6321 69.8627 173.2974 79 R 3.4193 7.7814 126.7072 54.5944 30.9895 176.7565 80 C 4.3029 8.7347 124.1372 57.4134 40.8535 173.8236 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 0 Q 8.19 4.41 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 1 C 8.06 5.13 0.00 2.94 2.83 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 Y 8.93 5.02 0.00 2.96 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 3 H 9.08 5.00 0.00 3.16 3.29 0.00 5.77 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 4 G 8.85 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 5 N 9.31 4.68 0.00 3.01 2.99 0.00 0.00 5.94 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.91 3.80 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 0.00 0.00 0.00 7 Q 8.09 4.01 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.89 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 8 S 7.96 4.53 0.00 3.93 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 9 Y 7.72 4.44 0.00 3.04 3.01 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 10 R 7.62 4.71 0.00 1.61 1.70 0.00 3.36 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 11 G 5.55 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 12 T 7.87 3.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 13 F 8.15 4.29 0.00 3.29 3.16 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 14 S 7.68 5.10 0.00 4.02 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 15 T 7.60 5.04 4.02 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 0.00 0.00 1.29 0.00 0.00 16 T 8.80 4.79 4.40 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 1.51 0.00 0.00 17 V 8.36 3.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.97 0.00 0.00 18 T 7.51 3.91 4.40 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 1.28 0.00 0.00 19 G 8.02 3.92 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 0.00 0.00 0.00 20 R 7.73 4.21 0.00 1.97 1.82 0.00 3.32 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 21 T 8.19 4.84 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 22 C 8.44 4.95 0.00 2.94 2.84 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 0.00 0.00 0.00 0.00 23 Q 8.89 4.38 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 24 S 8.40 4.28 0.00 3.88 3.75 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 25 W 8.25 4.38 0.00 3.40 3.31 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 26 S 8.17 4.31 0.00 4.01 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 27 S 7.71 4.35 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.47 4.36 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 29 T 7.61 4.65 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 30 P 0.00 4.33 0.00 1.95 2.08 0.00 3.92 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.10 0.00 31 H 8.16 4.86 0.00 3.07 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.32 4.24 0.00 1.87 1.79 0.00 3.26 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 33 H 7.90 4.64 0.00 3.12 2.58 0.00 5.53 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 34 Q 8.85 4.65 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.43 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 35 R 8.28 4.53 0.00 2.21 1.56 0.00 3.31 0.00 0.00 3.68 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.97 0.00 *37 T 7.57 4.62 4.59 0.00 0.00 0.00 0.00 0.00 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 38 P 0.00 4.26 0.00 2.26 2.50 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 39 E 8.35 3.98 0.00 1.99 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 2.33 2.41 0.00 40 N 8.34 4.55 0.00 2.69 2.60 0.00 0.00 6.85 7.55 0.00 0.00 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 Y 7.55 4.70 0.00 2.93 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 42 P 0.00 4.85 0.00 2.03 2.10 0.00 3.63 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 43 N 8.06 5.01 0.00 2.67 2.77 0.00 0.00 6.78 8.06 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 44 D 7.92 4.75 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.50 3.60 0.00 1.42 1.47 0.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.62 4.23 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 1.13 0.00 0.00 48 M 8.09 2.90 0.00 1.78 0.57 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 2.42 2.35 0.00 49 N 8.24 5.13 0.00 2.83 2.78 0.00 0.00 5.92 7.55 0.00 0.00 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 Y 7.78 4.88 0.00 3.28 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 51 C 9.15 4.88 0.00 3.22 3.22 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 0.00 52 R 8.93 4.54 0.00 1.23 1.36 0.00 3.35 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 53 N 7.85 5.23 0.00 2.68 2.81 0.00 0.00 6.92 7.69 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 54 P 0.00 4.25 0.00 1.46 1.54 0.00 3.43 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.00 55 D 8.17 4.75 0.00 2.76 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 56 A 8.01 3.70 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 57 D 9.81 4.71 0.00 2.71 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.22 4.20 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 1.24 0.00 0.00 *60 G 7.62 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.76 0.00 1.99 2.04 0.00 2.60 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.99 0.00 62 W 9.06 6.08 0.00 3.72 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.36 4.59 0.00 2.57 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 64 F 7.92 4.92 0.00 2.87 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 65 T 8.50 5.09 4.67 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 1.26 0.00 0.00 66 T 8.52 4.14 4.45 0.00 0.00 0.00 0.00 0.00 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 67 D 8.10 4.45 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.07 2.08 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 69 S 8.63 4.29 0.00 3.87 3.92 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 70 I 7.53 4.33 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.77 0.00 0.00 71 R 8.64 3.75 0.00 1.96 2.03 0.00 3.36 0.00 0.00 3.58 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 72 W 7.49 5.46 0.00 3.37 2.73 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 0.00 0.00 0.00 0.00 73 E 8.74 3.75 0.00 1.86 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 74 Y 8.06 4.84 0.00 3.03 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 75 C 9.10 5.08 0.00 3.14 3.32 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 76 N 9.00 4.76 0.00 2.98 3.11 0.00 0.00 6.91 7.95 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 77 L 7.60 4.69 0.00 1.60 1.39 0.49 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.82 4.34 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 1.11 0.00 0.00 79 R 7.78 3.42 0.00 1.22 1.47 0.00 3.31 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.47 0.00 80 C 8.73 4.30 0.00 2.57 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 * Residues marked with a * may have inaccurate shift predictions.