NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7906 8.3127 115.5893 55.5973 43.7541 171.7826 2 K 4.9634 8.2147 119.4602 54.2023 34.9895 174.2122 3 G 3.9031 9.3267 115.1035 46.0265 0.0000 172.8767 4 A 4.3436 8.4543 122.7624 51.7704 19.6726 177.0852 5 D 4.9525 8.5998 120.0548 53.9965 41.9793 176.5373 6 G 3.9572 8.9790 108.2969 45.5095 0.0000 173.7252 7 A 4.2211 8.4553 123.7716 52.0140 19.6044 176.8679 8 H 4.8193 8.6092 118.8088 55.5190 29.6744 175.6819 9 G 3.9398 9.1995 109.9830 46.2315 0.0000 175.5552 10 V 4.2636 8.9108 113.6649 61.7050 34.2405 179.5635 *12 G 4.0190 8.7444 121.5006 47.2890 0.0000 171.2141 13 C 5.6949 8.3998 114.1496 54.7856 43.3994 172.8631 14 P 4.7751 0.0000 0.0000 60.9663 33.3962 176.8715 15 G 4.0247 8.7142 107.7093 47.1302 0.0000 173.3836 16 T 4.6084 8.6528 112.3035 60.5860 70.7199 173.8121 17 A 4.5436 8.4896 124.6911 51.7495 19.0388 177.9109 18 G 3.8280 8.7810 109.3864 46.2442 0.0000 173.3915 19 A 4.5773 8.8142 123.9573 50.8074 20.1233 177.1086 20 A 4.4801 8.5383 121.6921 51.7936 19.1858 178.0717 21 G 3.7913 8.8103 108.5795 46.0560 0.0000 173.8811 22 S 4.4546 8.8125 118.3895 57.9302 64.0662 174.2550 23 V 4.0591 8.4061 123.9382 62.8080 32.0783 175.8758 24 G 3.7154 8.9088 115.8052 46.0296 0.0000 173.6893 25 G 4.0052 8.7059 111.3781 44.9224 0.0000 170.9027 26 P 4.4904 0.0000 0.0000 64.4897 31.4355 177.3010 27 G 3.9706 9.2830 112.1763 45.1854 0.0000 172.1184 28 C 5.2232 8.0819 117.1227 54.8956 40.9588 173.5078 29 D 4.9534 8.9127 121.7473 54.0332 41.8845 176.1987 30 G 3.9950 8.6564 108.2114 45.9838 0.0000 174.0885 31 G 3.9442 8.9255 109.5552 45.9633 0.0000 172.8065 32 H 5.0960 9.2305 119.5036 54.8579 30.1930 175.6242 33 G 3.9833 8.9940 109.9487 45.9766 0.0000 173.7936 34 G 4.0188 9.1217 109.4535 45.6181 0.0000 173.0670 35 N 4.9307 9.2399 119.4487 53.1631 39.7638 174.9525 36 G 3.9818 8.8769 110.1268 45.9505 0.0000 173.8335 37 G 3.9498 9.2389 109.8815 46.0572 0.0000 172.5305 38 N 5.1665 8.6548 120.2378 52.3011 39.6850 175.3044 39 G 3.8404 8.9499 111.5122 45.8868 0.0000 173.3608 40 N 4.7550 8.8639 121.4119 51.8841 40.2889 172.8195 41 P 4.2077 0.0000 0.0000 64.7596 31.5803 177.2664 42 G 3.9576 9.0293 110.2939 45.6053 0.0000 173.3793 43 C 5.1582 8.1182 117.0089 54.4822 44.8331 173.4934 44 A 4.6079 8.5136 123.6201 51.8984 19.2437 177.4417 45 G 3.9487 8.7753 108.8533 46.0661 0.0000 173.8411 46 G 4.3127 9.4403 109.3926 44.3266 0.0000 173.6184 47 V 4.3715 8.2651 120.3225 61.1459 32.8386 176.0166 48 G 3.9747 8.7968 110.8098 46.1082 0.0000 173.7165 49 G 4.0372 9.1720 109.6122 45.4873 0.0000 173.1918 50 A 4.6732 8.5997 124.0365 51.4361 19.6996 177.5005 51 G 3.9591 8.9363 108.8511 46.1178 0.0000 173.7742 52 G 4.0829 9.1689 109.4865 45.1830 0.0000 173.3976 53 A 4.9058 8.5394 124.5218 51.6459 19.7381 177.3333 54 S 4.5730 8.8457 115.5911 57.7521 64.5169 173.6917 55 G 4.0027 9.0075 106.4502 46.9797 0.0000 175.6036 56 G 4.1866 8.4997 109.2151 45.1132 0.0000 175.6523 57 T 3.9536 7.7283 108.8525 62.7069 69.2990 175.8643 58 G 3.8361 8.5598 109.5047 45.1236 0.0000 173.4301 59 V 4.2286 7.5310 120.0472 60.5282 32.9438 175.3547 60 G 4.2475 8.0001 114.0575 44.5765 0.0000 171.1642 61 G 3.9948 8.9290 108.0453 45.8856 0.0000 173.6605 62 R 4.5741 8.9144 120.3262 55.4854 31.5467 176.5664 63 G 4.3114 8.0773 109.1780 45.6164 0.0000 173.6816 64 G 4.0232 9.0162 110.0502 45.6213 0.0000 173.1774 65 K 4.7440 8.6119 121.5823 55.5387 33.3960 177.0625 66 G 4.3759 8.6467 112.1271 45.7763 0.0000 173.6380 67 G 4.0726 8.9863 109.7462 45.5908 0.0000 173.5220 68 S 4.6452 9.1766 116.8092 57.5700 64.5313 174.5935 69 G 3.7628 7.3190 105.3058 46.8084 0.0000 171.5963 70 T 4.9150 8.1246 111.1448 61.3761 67.8982 170.9724 71 P 5.1855 0.0000 0.0000 59.6352 35.4030 175.5705 72 K 4.3557 8.6387 120.5321 56.9581 32.8393 177.2170 73 G 3.9718 9.0233 113.5998 45.6122 0.0000 172.8826 74 A 4.5516 8.4578 122.0161 51.9165 19.6637 177.0089 75 D 4.9762 8.5875 119.4890 53.7698 42.2685 176.8155 76 G 3.9065 8.9918 108.3430 45.9749 0.0000 173.1517 77 A 4.5522 8.4670 123.1289 50.8640 19.7319 175.6157 78 P 4.6225 0.0000 0.0000 62.3550 31.9930 176.6731 79 G 3.9011 9.1380 109.7878 45.7358 0.0000 173.0656 80 A 4.3831 8.5357 124.6109 50.8639 19.7263 176.1447 81 P 4.4341 0.0000 0.0000 62.9599 31.3979 176.3648 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 C 8.31 4.79 0.00 3.01 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.96 0.00 1.80 1.64 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.68 7.81 3 G 9.33 3.90 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 0.00 0.00 0.00 4 A 8.45 4.34 1.24 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 0.00 0.00 0.00 5 D 8.60 4.95 0.00 2.57 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 6 G 8.98 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 7 A 8.46 4.22 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 8 H 8.61 4.82 0.00 3.07 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.20 3.94 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 0.00 0.00 0.00 10 V 8.91 4.26 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 0.79 0.00 0.00 0.94 0.00 0.00 *12 G 8.74 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 0.00 0.00 0.00 0.00 13 C 8.40 5.69 0.00 2.93 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 14 P 0.00 4.78 0.00 2.11 2.04 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 15 G 8.71 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 0.00 0.00 0.00 0.00 16 T 8.65 4.61 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 1.21 0.00 0.00 17 A 8.49 4.54 1.25 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 0.00 0.00 18 G 8.78 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 0.00 0.00 0.00 19 A 8.81 4.58 1.27 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 0.00 0.00 20 A 8.54 4.48 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 21 G 8.81 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 22 S 8.81 4.45 0.00 3.94 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 23 V 8.41 4.06 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 0.78 0.00 0.00 0.95 0.00 0.00 24 G 8.91 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 25 G 8.71 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 0.00 0.00 0.00 26 P 0.00 4.49 0.00 2.05 2.04 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 27 G 9.28 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 0.00 0.00 0.00 28 C 8.08 5.22 0.00 3.02 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 29 D 8.91 4.95 0.00 2.57 2.66 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 0.00 0.00 0.00 0.00 30 G 8.66 3.99 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 0.00 0.00 0.00 31 G 8.93 3.94 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 0.00 0.00 0.00 32 H 9.23 5.10 0.00 3.11 3.23 0.00 5.62 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 33 G 8.99 3.98 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 0.00 0.00 0.00 34 G 9.12 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 0.00 0.00 0.00 0.00 35 N 9.24 4.93 0.00 2.60 2.72 0.00 0.00 6.87 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 36 G 8.88 3.98 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 0.00 0.00 0.00 37 G 9.24 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 38 N 8.65 5.17 0.00 2.62 2.75 0.00 0.00 6.95 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 39 G 8.95 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 40 N 8.86 4.76 0.00 2.68 2.77 0.00 0.00 6.81 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 41 P 0.00 4.21 0.00 2.03 2.02 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 42 G 9.03 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 43 C 8.12 5.16 0.00 3.04 2.96 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 44 A 8.51 4.61 1.24 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 0.00 0.00 0.00 45 G 8.78 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 46 G 9.44 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 0.00 0.00 0.00 0.00 47 V 8.27 4.37 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 0.69 0.00 0.00 0.96 0.00 0.00 48 G 8.80 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 0.00 0.00 0.00 49 G 9.17 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 0.00 0.00 0.00 50 A 8.60 4.67 1.25 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 0.00 0.00 51 G 8.94 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 52 G 9.17 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 53 A 8.54 4.91 1.25 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 0.00 0.00 54 S 8.85 4.57 0.00 3.92 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 55 G 9.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.73 3.95 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 1.23 0.00 0.00 58 G 8.56 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 59 V 7.53 4.23 2.28 0.00 0.00 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 0.93 0.00 0.00 60 G 8.00 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 0.00 0.00 0.00 0.00 61 G 8.93 3.99 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 0.00 0.00 0.00 62 R 8.91 4.57 0.00 1.78 1.86 0.00 3.10 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 63 G 8.08 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 0.00 0.00 0.00 0.00 64 G 9.02 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 0.00 0.00 0.00 0.00 65 K 8.61 4.74 0.00 1.69 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.38 7.81 66 G 8.65 4.38 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 0.00 0.00 0.00 67 G 8.99 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 68 S 9.18 4.65 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.32 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 0.00 0.00 0.00 0.00 70 T 8.12 4.92 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 1.21 0.00 0.00 71 P 0.00 5.19 0.00 2.09 2.19 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.77 0.00 72 K 8.64 4.36 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.62 7.81 73 G 9.02 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 0.00 0.00 0.00 74 A 8.46 4.55 1.25 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 0.00 0.00 75 D 8.59 4.98 0.00 2.58 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 76 G 8.99 3.91 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 0.00 0.00 0.00 77 A 8.47 4.55 1.25 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 0.00 0.00 78 P 0.00 4.62 0.00 1.96 2.01 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 79 G 9.14 3.90 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 0.00 0.00 0.00 80 A 8.54 4.38 1.25 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 0.00 0.00 81 P 0.00 4.43 0.00 2.05 2.17 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.