NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0759 8.0244 114.2685 61.0202 38.8686 174.7980 4 R 4.0635 7.9653 118.5731 53.4356 32.1834 172.0656 5 P 4.5290 0.0000 0.0000 62.2665 34.0781 175.3788 6 L 4.4736 8.0713 122.9137 53.9375 40.6662 172.0993 7 H 4.2880 8.2918 122.8014 55.9042 30.2676 175.6009 8 D 4.7268 9.3952 127.3988 55.2721 42.0196 173.9485 9 R 4.4003 7.8061 116.1399 56.9594 30.6948 176.5683 10 V 4.5031 9.1745 122.1403 61.2231 35.6871 173.7751 11 I 4.8891 8.7942 127.4196 59.9302 39.6761 175.3322 12 V 5.1905 8.7854 119.5751 59.6606 36.6187 173.9913 13 K 4.7843 8.9227 119.5210 55.1706 35.6353 176.0850 14 R 4.5022 8.8850 124.5286 57.1132 30.8032 175.9243 15 K 4.6874 8.3417 125.4308 54.4736 34.9402 175.4484 16 E 3.8141 8.5494 118.9799 57.1703 29.9360 176.9185 17 V 4.3029 8.1788 121.5873 61.8870 33.1362 172.2654 18 E 3.7947 8.6639 132.4667 55.8382 29.5478 173.8664 19 T 4.3542 8.1216 117.9507 62.9890 69.4916 175.5885 20 K 4.7342 8.3065 125.4617 55.5712 32.8599 176.3496 21 S 5.5313 7.5844 111.7195 58.5853 63.6636 176.7198 22 A 4.2617 7.8958 124.2962 53.3435 20.8991 182.8723 23 G 3.9465 8.9581 112.2043 46.7882 0.0000 175.4979 24 G 4.0149 9.3886 110.4875 45.6147 0.0000 173.8468 25 I 4.2613 7.5223 117.5421 62.6138 39.4836 175.7179 26 V 3.5588 7.5529 118.7602 63.3180 32.1238 174.1962 27 L 5.2212 8.5172 128.4713 53.6118 44.5361 175.0190 28 T 4.3904 8.8026 119.1415 62.1595 70.7700 173.4240 29 G 3.6835 9.1296 115.0013 46.1003 0.0000 175.1470 30 S 4.5911 8.5777 114.9582 57.4432 65.2054 175.1716 31 A 4.1994 8.8738 122.0617 51.7038 17.4085 177.8915 32 A 4.1260 8.0988 131.2139 52.4927 18.0914 179.3423 33 A 4.2453 7.7391 116.4836 52.3625 20.6899 175.4426 34 K 4.2037 8.5283 119.8714 56.0746 30.9437 179.4880 35 S 4.3527 8.6756 114.3361 58.4605 65.5518 173.9898 36 T 3.6979 8.2403 116.9522 62.3357 70.0555 173.6833 37 R 5.1820 7.8354 122.4701 54.6394 33.0167 175.0797 38 G 4.6358 9.3693 110.2865 44.4326 0.0000 170.7802 39 E 4.9946 9.0579 124.4885 54.6359 31.4690 175.3574 40 V 3.9770 8.9804 128.2289 63.1362 32.1265 176.0918 41 L 4.5001 8.6511 127.4539 56.1552 43.8208 177.2405 42 A 4.4230 7.4524 118.2237 50.9724 22.3514 176.0670 43 V 4.0722 8.5489 123.2778 62.3269 32.1339 176.6567 44 G 4.0390 8.2570 114.2729 44.4368 0.0000 173.7258 45 N 4.5406 8.8072 115.6808 55.2527 39.5656 175.4995 46 G 3.7537 6.0966 107.2247 44.5620 0.0000 172.0437 47 R 4.8491 8.8560 123.8023 54.6225 32.4096 177.0631 48 I 3.9318 8.2600 125.3760 62.8619 37.9486 176.0313 49 L 3.7999 7.7495 118.9379 56.7028 41.8503 176.9561 50 E 3.7925 9.0607 121.6181 55.9560 28.1432 175.0780 51 N 4.5910 8.0266 115.2519 54.3076 39.7709 175.3974 52 G 3.8417 7.4579 107.0333 46.0038 0.0000 174.2050 53 E 3.5790 7.6653 119.8946 56.5769 28.8100 173.6627 54 V 4.4292 8.2540 121.0619 62.2461 32.4321 176.8900 55 K 4.6365 8.6987 128.3438 54.9417 34.8108 174.6489 56 P 4.7818 0.0000 0.0000 62.8926 32.4453 175.1736 57 L 4.7560 8.2850 119.6935 53.3991 43.6065 175.9933 58 D 4.7199 8.9726 121.4182 54.2178 41.0373 176.8810 59 V 4.0665 7.4941 111.1115 60.8826 32.0922 175.0333 60 K 4.5326 7.8978 118.1833 55.8642 34.9195 174.9546 61 V 4.0081 8.1451 120.2505 63.5752 32.2565 175.8590 62 G 4.0187 8.8120 115.3796 45.4145 0.0000 173.4258 63 D 4.7243 7.3638 116.0581 54.1140 42.6877 175.2673 64 I 4.9455 8.1986 120.2062 59.9406 39.0800 175.9327 65 V 4.6453 8.9627 120.8152 59.8052 34.8245 174.7954 66 I 4.9594 8.7975 124.5145 60.1063 38.8009 175.0218 67 F 5.3935 8.6254 120.8787 55.3244 41.4149 173.1468 68 N 4.6834 8.9622 119.0150 52.0728 39.9805 176.2362 69 D 4.8272 8.7313 126.6606 54.3213 38.6168 175.6354 70 G 4.1273 7.8366 112.7803 43.4498 0.0000 171.5983 71 Y 4.1760 8.7488 119.9974 60.2693 38.5549 177.5800 72 G 3.7283 8.2651 107.7139 47.3287 0.0000 173.3220 73 V 4.1026 7.7344 120.8641 62.7158 32.3863 175.3116 74 K 4.7441 9.0917 125.5498 55.0963 37.2753 174.4191 75 S 5.3058 8.0646 114.9853 57.0431 66.0214 172.0118 76 E 4.7070 8.3117 118.3022 55.5710 34.5156 175.4486 77 K 4.7941 9.0029 123.7638 55.0127 33.7315 175.7485 78 I 4.0796 8.9122 130.0106 60.4170 36.3423 175.5996 79 D 4.5211 9.6597 123.8144 55.5292 38.3301 174.2858 80 N 4.5159 8.5131 117.7027 53.7139 37.7321 174.3850 81 E 4.3819 8.3579 117.8084 55.5945 30.5697 175.3607 82 E 4.7068 8.5046 121.5138 56.3761 30.7510 176.5518 83 V 4.5003 8.9349 116.9565 59.5130 35.4220 174.7623 84 L 4.8636 8.6854 124.6229 53.8871 43.6420 175.7223 85 I 5.0515 8.5481 123.2624 59.8428 40.8546 174.6801 86 M 5.3506 9.0682 123.2524 53.7783 35.3747 173.7692 87 S 5.3783 9.1013 113.4029 55.9332 65.5392 175.2460 88 E 3.9990 8.9632 121.2270 59.1884 29.5384 179.1062 89 S 4.1822 8.1795 113.9161 61.2392 63.0495 174.8138 90 D 4.6642 8.1926 118.8460 54.8107 41.2555 175.8109 91 I 4.6924 7.5965 120.7845 59.7963 38.5168 175.2296 92 L 4.3888 8.7860 125.3905 56.2218 42.9524 176.6363 93 A 4.5455 7.3194 117.5085 51.9450 22.5496 176.6029 94 I 4.4629 7.9386 122.0324 62.0381 36.5888 177.3548 *95 V 3.9215 8.4335 127.0439 62.0351 32.1549 173.9588 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 3 I 8.02 4.08 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.90 0.00 0.00 4 R 7.97 4.06 0.00 1.78 1.79 0.00 3.39 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 5 P 0.00 4.53 0.00 2.26 2.12 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 6 L 8.07 4.47 0.00 1.58 1.55 0.92 1.02 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 7 H 8.29 4.29 0.00 3.54 3.42 0.00 5.90 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.40 4.73 0.00 2.89 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 9 R 7.81 4.40 0.00 1.75 1.83 0.00 3.32 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.53 0.00 10 V 9.17 4.50 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 0.93 0.00 0.00 0.97 0.00 0.00 11 I 8.79 4.89 1.84 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 1.18 0.54 0.90 0.00 0.00 12 V 8.79 5.19 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 0.64 0.00 0.00 0.63 0.00 0.00 13 K 8.92 4.78 0.00 1.74 1.83 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.37 7.81 14 R 8.88 4.50 0.00 2.07 1.97 0.00 3.32 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 15 K 8.34 4.69 0.00 1.72 1.77 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.45 7.81 16 E 8.55 3.81 0.00 1.95 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 0.00 2.34 2.30 0.00 17 V 8.18 4.30 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 0.91 0.00 0.00 0.94 0.00 0.00 18 E 8.66 3.79 0.00 2.30 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 0.00 2.20 2.30 0.00 19 T 8.12 4.35 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 20 K 8.31 4.73 0.00 1.70 1.80 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.62 7.81 21 S 7.58 5.53 0.00 3.96 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 0.00 22 A 7.90 4.26 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 23 G 8.96 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 24 G 9.39 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 25 I 7.52 4.26 1.87 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 1.18 0.79 0.91 0.00 0.00 26 V 7.55 3.56 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 1.02 0.00 0.00 0.93 0.00 0.00 27 L 8.52 5.22 0.00 1.65 1.48 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.80 4.39 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 1.34 0.00 0.00 29 G 9.13 3.68 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 0.00 0.00 0.00 30 S 8.58 4.59 0.00 3.81 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 31 A 8.87 4.20 1.32 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 0.00 0.00 32 A 8.10 4.13 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 33 A 7.74 4.25 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 34 K 8.53 4.20 0.00 1.72 1.29 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.47 7.81 35 S 8.68 4.35 0.00 3.78 3.68 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 36 T 8.24 3.70 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 1.03 0.00 0.00 37 R 7.84 5.18 0.00 1.81 1.89 0.00 3.05 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 38 G 9.37 4.64 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 0.00 0.00 0.00 39 E 9.06 4.99 0.00 2.06 1.83 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 2.26 2.36 0.00 40 V 8.98 3.98 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 0.87 0.00 0.00 1.00 0.00 0.00 41 L 8.65 4.50 0.00 1.63 1.66 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.45 4.42 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.55 4.07 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 0.79 0.00 0.00 0.92 0.00 0.00 44 G 8.26 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 45 N 8.81 4.54 0.00 2.73 2.91 0.00 0.00 6.79 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 46 G 6.10 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 0.00 0.00 0.00 47 R 8.86 4.85 0.00 1.77 1.75 0.00 3.09 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 48 I 8.26 3.93 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.85 0.00 0.00 49 L 7.75 3.80 0.00 1.63 1.65 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.06 3.79 0.00 2.23 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 0.00 2.24 2.34 0.00 51 N 8.03 4.59 0.00 2.83 3.01 0.00 0.00 7.07 8.21 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 52 G 7.46 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 53 E 7.67 3.58 0.00 2.10 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 2.21 2.33 0.00 54 V 8.25 4.43 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 0.89 0.00 0.00 0.90 0.00 0.00 55 K 8.70 4.64 0.00 1.84 1.90 0.00 1.38 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.52 7.81 56 P 0.00 4.78 0.00 2.10 2.10 0.00 3.73 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 1.99 2.00 0.00 57 L 8.28 4.76 0.00 1.63 1.72 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.97 4.72 0.00 2.62 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 59 V 7.49 4.07 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 0.79 0.00 0.00 0.93 0.00 0.00 60 K 7.90 4.53 0.00 1.89 1.85 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.54 7.81 61 V 8.15 4.01 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 0.83 0.00 0.00 0.92 0.00 0.00 62 G 8.81 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 63 D 7.36 4.72 0.00 2.67 2.62 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 0.00 0.00 0.00 64 I 8.20 4.95 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.98 0.00 0.00 65 V 8.96 4.65 2.16 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 0.75 0.00 0.00 1.06 0.00 0.00 66 I 8.80 4.96 1.90 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 1.29 0.71 0.87 0.00 0.00 67 F 8.63 5.39 0.00 3.12 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 68 N 8.96 4.68 0.00 2.75 2.82 0.00 0.00 7.19 9.28 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 69 D 8.73 4.83 0.00 2.74 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 70 G 7.84 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 71 Y 8.75 4.18 0.00 2.84 3.06 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 72 G 8.27 3.73 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 0.00 0.00 0.00 73 V 7.73 4.10 2.21 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 0.79 0.00 0.00 1.11 0.00 0.00 74 K 9.09 4.74 0.00 1.59 1.58 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.45 7.81 75 S 8.06 5.31 0.00 3.82 3.70 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 E 8.31 4.71 0.00 1.88 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 0.00 2.13 2.30 0.00 77 K 9.00 4.79 0.00 1.68 1.69 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.41 7.81 78 I 8.91 4.08 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.90 0.00 0.00 79 D 9.66 4.52 0.00 2.81 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 80 N 8.51 4.52 0.00 2.73 3.23 0.00 0.00 7.19 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 81 E 8.36 4.38 0.00 2.24 1.84 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 2.30 2.32 0.00 82 E 8.50 4.71 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 83 V 8.93 4.50 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.90 0.00 0.00 84 L 8.69 4.86 0.00 1.48 1.36 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.55 5.05 1.82 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 1.23 0.80 0.89 0.00 0.00 86 M 9.07 5.35 0.00 1.86 2.25 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 87 S 9.10 5.38 0.00 4.09 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 88 E 8.96 4.00 0.00 2.05 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 0.00 2.32 2.29 0.00 89 S 8.18 4.18 0.00 3.93 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 90 D 8.19 4.66 0.00 2.86 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 91 I 7.60 4.69 2.00 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 1.32 0.69 0.96 0.00 0.00 92 L 8.79 4.39 0.00 1.74 1.73 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.32 4.55 1.22 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 0.00 0.00 94 I 7.94 4.46 1.88 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 1.29 0.68 0.93 0.00 0.00 *95 V 8.43 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.