NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4661 8.2601 123.6132 52.4461 19.6996 176.7540 3 A 3.9980 8.5026 123.9973 51.1969 19.9875 173.2487 4 V 4.7542 8.4966 116.2891 61.1606 34.8863 173.1035 5 T 4.7297 9.2300 124.5614 61.9051 71.5361 172.8589 6 Q 5.3763 8.8665 125.3435 54.3936 31.1183 175.2874 7 S 4.8425 9.2329 117.8050 55.9819 66.5438 172.3028 8 P 4.7686 0.0000 0.0000 62.5574 32.3034 176.3951 9 R 4.2772 8.4527 117.3893 58.3957 31.1457 176.2863 10 N 5.5459 8.0496 114.0043 51.3826 42.9503 174.0630 11 K 4.5290 9.0398 122.1698 55.0361 36.1408 174.7733 12 V 4.8054 8.5754 127.0614 61.2665 33.1082 174.3501 13 A 4.9839 9.2643 129.7764 50.1049 22.6381 174.7637 14 V 4.4737 8.7783 119.9305 61.3412 33.5622 175.6809 15 T 4.1204 8.6352 123.7497 65.7859 68.6994 173.9122 16 G 4.2602 8.9174 115.2941 44.6152 0.0000 173.8271 17 E 4.1550 8.0423 119.5159 56.0189 30.6961 176.3489 18 K 4.7483 8.4328 124.6057 55.6352 33.4443 176.0546 19 V 4.3738 8.8545 127.0150 61.3128 34.5405 173.9933 20 T 4.8908 8.5075 123.9754 61.7248 70.9187 173.2309 21 L 4.5983 8.6953 126.9596 52.9034 44.1792 175.3458 22 S 5.3595 9.2487 118.6866 55.8902 65.1900 171.7269 23 C 5.4644 9.4176 126.4888 54.8902 43.2674 172.1105 24 Q 5.3110 9.4947 128.0478 54.2414 31.5025 174.0407 25 Q 5.1296 8.8975 123.8866 54.3894 31.4378 175.1525 26 T 4.5385 8.7661 110.1447 61.8446 69.6444 175.5976 27 N 4.1255 8.2173 119.8613 54.1931 38.8650 174.9753 28 N 4.2774 8.1398 114.4297 54.5310 37.4746 173.3407 29 H 4.6120 8.3204 113.0138 55.0251 29.3878 175.7173 30 N 4.4748 8.9045 120.9475 55.7686 38.9893 175.1156 31 N 5.0595 8.3029 115.1523 51.8585 41.2258 174.4425 32 M 5.1081 7.8712 120.4072 53.8905 36.9414 173.9695 33 Y 5.4721 8.8634 117.3145 56.4526 43.1685 174.1068 34 W 5.4241 9.5818 122.7120 55.2837 32.3944 174.2951 35 Y 5.4701 10.0193 122.0649 56.2497 41.6393 174.4393 36 R 4.7239 9.0777 121.6527 54.6252 33.5199 174.4430 37 Q 5.0123 9.1108 127.2585 54.2427 31.1306 174.0832 38 D 4.7819 8.5175 126.2158 53.7006 42.6348 176.2673 39 T 3.8676 8.5072 117.9935 65.8501 68.6697 174.7165 40 G 3.8201 9.1816 114.3393 45.5066 0.0000 171.7213 41 H 4.8881 8.0006 115.6550 53.3436 32.1474 172.9631 42 G 3.9538 8.2499 108.2180 45.2627 0.0000 173.1606 43 L 4.5022 8.1914 120.0892 54.7528 42.1069 177.1614 44 R 4.7527 9.3669 123.9406 54.2750 32.7958 175.3185 45 L 3.9604 8.6204 126.0788 55.3462 42.8767 176.4504 46 I 4.0220 9.0427 128.4117 63.3627 37.9997 175.3992 47 H 5.6401 8.0056 116.9667 54.8465 34.0060 171.1877 48 Y 5.4345 8.6161 117.5467 56.5269 42.2296 173.4045 49 S 4.5195 7.9690 112.2261 57.5839 65.7736 174.4405 50 Y 4.5683 9.3753 124.1770 57.4799 38.2853 175.5051 51 G 4.1219 7.3088 110.8253 44.1537 0.0000 172.1152 52 V 3.7254 7.9196 118.6447 63.6044 31.0701 176.9578 53 G 3.9469 9.1812 112.7806 45.1692 0.0000 172.5503 54 N 4.8761 8.0301 118.8105 52.0376 40.3073 173.9278 55 T 4.8749 8.1609 114.2351 59.9766 72.2657 172.8509 56 E 4.5361 8.7260 122.5112 54.0742 33.3998 175.3772 57 K 4.2524 8.7049 123.7774 56.5840 32.5259 177.8662 58 G 4.2094 8.6749 117.4302 47.0569 0.0000 173.8491 59 D 4.8208 8.8805 120.5554 54.8689 41.7968 177.5025 60 I 4.7051 7.1639 110.0937 59.1479 37.3133 173.9792 61 P 4.4097 0.0000 0.0000 65.5889 32.2873 177.3233 62 D 4.3733 8.0897 119.7049 55.5556 41.1309 176.0781 63 G 3.5305 8.6106 111.5255 46.7590 0.0000 172.2240 *65 Y 4.8654 7.5986 114.8829 57.7062 39.2524 174.3129 66 E 4.8276 9.2090 121.0982 54.5897 33.6460 174.4307 67 A 5.0258 8.0470 121.0322 50.6862 23.0176 175.4142 68 S 4.4886 8.8376 112.9184 57.0025 66.3239 173.2359 69 R 4.9120 8.6774 127.5931 54.2133 29.1391 173.8970 70 P 4.4687 0.0000 0.0000 63.9159 32.4897 177.0757 71 S 4.6748 7.6024 112.5428 56.7943 65.8499 174.1700 72 H 4.0362 8.9192 120.8878 59.1972 29.7835 176.0170 73 E 4.2876 7.9645 116.4319 57.0613 29.6809 175.3912 74 Q 5.2712 7.9212 120.5464 54.0934 32.7094 173.9656 75 F 5.6708 9.4306 127.5167 56.9814 42.7239 173.2648 76 S 5.3277 9.3346 122.8661 56.7512 65.8216 172.7962 77 L 4.5592 8.2093 125.7341 53.1036 44.2113 174.9609 78 I 4.7531 8.5023 126.8692 59.5112 40.3910 174.6122 79 L 4.6080 8.9404 128.7425 52.9995 41.7666 177.8817 80 V 3.4469 8.2840 125.2374 64.2609 31.6623 175.6080 81 S 4.7221 7.5586 115.9944 55.6609 64.3215 172.2741 82 A 4.4678 9.0455 129.0362 52.7883 19.3148 176.2379 83 T 4.8053 8.7482 111.2343 59.0135 72.0839 173.2630 84 P 4.2877 0.0000 0.0000 66.0290 31.4947 178.6314 85 S 4.2979 7.9752 110.5535 60.4017 63.0927 174.7198 86 Q 4.4372 8.1772 119.4342 56.5892 28.9533 176.1320 87 S 4.4374 7.9049 115.5390 59.6448 63.4504 173.9236 88 S 4.5111 8.4544 118.0166 58.2544 67.4734 173.9472 89 V 4.8557 7.4478 118.6025 61.4345 33.6382 174.3933 90 Y 5.2464 9.0630 125.8548 56.3572 40.7249 174.6931 91 F 5.4877 9.7885 122.3522 55.9201 42.7188 172.2042 92 C 5.0879 9.4315 117.9555 53.9348 45.8031 172.3165 93 A 5.2157 8.6743 120.0085 50.6421 22.6764 175.5555 94 S 5.1524 8.8179 115.0679 56.6273 66.5975 173.0427 95 G 4.4959 8.6902 107.1282 46.7532 0.0000 172.1875 96 V 4.6237 7.8330 117.1825 60.8625 34.1246 174.5632 97 G 3.6126 8.9388 111.6831 47.4185 0.0000 174.7040 98 G 3.8889 8.6581 112.7396 45.8649 0.0000 173.2348 99 T 4.1937 7.9370 118.2631 63.3638 69.7317 173.6741 100 L 4.9778 8.3572 124.4560 53.0897 45.4239 175.2685 101 Y 4.2841 9.1067 125.4081 55.8110 40.7506 174.2423 *108 F 4.9076 8.5758 124.6396 57.0748 40.4920 175.3638 109 G 4.1433 9.2560 109.3198 46.0458 0.0000 173.5845 110 A 4.4350 8.7967 121.4798 52.7242 18.9965 178.8089 111 G 3.2195 8.9106 101.0266 45.2067 0.0000 173.2151 112 T 5.2584 8.1780 115.5560 60.3907 72.2781 173.6292 113 R 4.5556 8.6531 126.4789 55.8063 31.7769 175.3112 114 L 5.1535 9.3354 126.3187 53.2954 45.2855 174.7386 115 S 4.9545 9.0412 121.6047 56.5929 64.6184 172.5599 116 V 4.6712 8.6525 128.3277 61.4099 32.8450 175.6098 117 L 4.3969 9.0183 127.4418 54.8510 41.8658 176.4778 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 2 A 8.26 4.47 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 3 A 8.50 4.00 0.67 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 4 V 8.50 4.75 2.27 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 0.88 0.00 0.00 0.89 0.00 0.00 5 T 9.23 4.73 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 1.25 0.00 0.00 6 Q 8.87 5.38 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 7 S 9.23 4.84 0.00 3.85 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 8 P 0.00 4.77 0.00 2.47 2.10 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 9 R 8.45 4.28 0.00 1.79 2.04 0.00 3.39 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 10 N 8.05 5.55 0.00 2.55 2.67 0.00 0.00 6.60 7.61 0.00 0.00 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 K 9.04 4.53 0.00 1.79 1.56 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.39 7.81 12 V 8.58 4.81 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.26 4.98 1.16 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 14 V 8.78 4.47 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 0.93 0.00 0.00 0.92 0.00 0.00 15 T 8.64 4.12 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 1.19 0.00 0.00 16 G 8.92 4.26 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 0.00 17 E 8.04 4.15 0.00 1.99 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 2.33 0.00 18 K 8.43 4.75 0.00 1.81 1.65 0.00 1.49 0.00 0.00 2.24 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.20 7.81 19 V 8.85 4.37 1.94 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 0.76 0.00 0.00 0.85 0.00 0.00 20 T 8.51 4.89 4.17 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 0.00 0.00 0.00 1.13 0.00 0.00 21 L 8.70 4.60 0.00 0.59 1.24 0.16 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.25 5.36 0.00 3.89 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 23 C 9.42 5.46 0.00 2.88 3.18 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 24 Q 9.49 5.31 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 25 Q 8.90 5.13 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 26 T 8.77 4.54 4.18 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 1.17 0.00 0.00 27 N 8.22 4.13 0.00 2.63 2.18 0.00 0.00 7.00 8.00 0.00 0.00 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 N 8.14 4.28 0.00 2.80 2.85 0.00 0.00 7.04 7.89 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 29 H 8.32 4.61 0.00 3.29 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.90 4.47 0.00 2.74 2.91 0.00 0.00 6.91 8.00 0.00 0.00 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 N 8.30 5.06 0.00 2.74 2.04 0.00 0.00 6.74 8.42 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 32 M 7.87 5.11 0.00 1.75 1.15 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 33 Y 8.86 5.47 0.00 2.95 2.54 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 0.00 0.00 0.00 0.00 34 W 9.58 5.42 0.00 3.25 3.02 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 35 Y 10.02 5.47 0.00 3.28 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 36 R 9.08 4.72 0.00 1.64 1.69 0.00 3.06 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 1.38 1.01 0.00 37 Q 9.11 5.01 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 38 D 8.52 4.78 0.00 2.74 2.63 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 0.00 0.00 0.00 39 T 8.51 3.87 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 40 G 9.18 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.00 4.89 0.00 3.20 3.20 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.25 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 43 L 8.19 4.50 0.00 1.24 1.35 0.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.37 4.75 0.00 1.76 1.89 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 45 L 8.62 3.96 0.00 1.72 1.56 0.53 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.04 4.02 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.66 0.50 0.00 0.00 47 H 8.01 5.64 0.00 3.14 3.26 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.62 5.43 0.00 2.61 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 49 S 7.97 4.52 0.00 3.28 2.63 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 0.00 0.00 0.00 50 Y 9.38 4.57 0.00 3.10 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 51 G 7.31 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.92 3.73 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 0.75 0.00 0.00 0.99 0.00 0.00 53 G 9.18 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 54 N 8.03 4.88 0.00 2.69 2.88 0.00 0.00 6.90 8.56 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 55 T 8.16 4.87 4.28 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 1.38 0.00 0.00 56 E 8.73 4.54 0.00 1.16 1.12 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 0.00 1.96 1.78 0.00 57 K 8.70 4.25 0.00 1.67 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.48 7.81 58 G 8.67 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 0.00 0.00 0.00 0.00 59 D 8.88 4.82 0.00 2.63 2.78 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 60 I 7.16 4.71 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.96 0.00 0.00 61 P 0.00 4.41 0.00 2.24 2.14 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 62 D 8.09 4.37 0.00 2.74 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 63 G 8.61 3.53 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 0.00 0.00 0.00 *65 Y 7.60 4.87 0.00 3.10 2.93 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 66 E 9.21 4.83 0.00 1.77 1.75 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 2.19 2.18 0.00 67 A 8.05 5.03 0.99 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 68 S 8.84 4.49 0.00 3.85 3.64 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 69 R 8.68 4.91 0.00 2.03 1.79 0.00 3.59 0.00 0.00 3.06 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 70 P 0.00 4.47 0.00 2.25 2.19 0.00 4.17 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 1.99 0.00 71 S 7.60 4.67 0.00 3.99 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 72 H 8.92 4.04 0.00 3.08 3.40 0.00 5.91 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 73 E 7.96 4.29 0.00 2.18 1.97 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 2.30 2.30 0.00 74 Q 7.92 5.27 0.00 2.34 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 75 F 9.43 5.67 0.00 2.97 2.90 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 76 S 9.33 5.33 0.00 3.72 3.63 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 0.00 0.00 0.00 77 L 8.21 4.56 0.00 0.27 0.13 0.65 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.50 4.75 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.82 0.00 0.00 79 L 8.94 4.61 0.00 1.43 1.45 0.74 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.28 3.45 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 0.70 0.00 0.00 0.88 0.00 0.00 81 S 7.56 4.72 0.00 3.81 3.66 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 82 A 9.05 4.47 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 83 T 8.75 4.81 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 1.21 0.00 0.00 84 P 0.00 4.29 0.00 2.20 2.18 0.00 3.59 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 2.12 2.11 0.00 85 S 7.98 4.30 0.00 4.00 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 86 Q 8.18 4.44 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 87 S 7.90 4.44 0.00 3.81 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 88 S 8.45 4.51 0.00 3.77 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 89 V 7.45 4.86 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 0.72 0.00 0.00 0.96 0.00 0.00 90 Y 9.06 5.25 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.79 5.49 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 9.43 5.09 0.00 1.98 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 93 A 8.67 5.22 0.66 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 0.00 0.00 94 S 8.82 5.15 0.00 3.99 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 95 G 8.69 4.50 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 0.00 96 V 7.83 4.62 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 0.64 0.00 0.00 0.95 0.00 0.00 97 G 8.94 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.66 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 0.00 0.00 0.00 99 T 7.94 4.19 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 100 L 8.36 4.98 0.00 1.39 0.97 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.11 4.28 0.00 3.01 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 *108 F 8.58 4.91 0.00 2.92 3.08 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 0.00 109 G 9.26 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.80 4.43 1.38 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 0.00 111 G 8.91 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 0.00 0.00 0.00 112 T 8.18 5.26 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 1.27 0.00 0.00 113 R 8.65 4.56 0.00 1.79 1.88 0.00 3.08 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 114 L 9.34 5.15 0.00 1.75 1.78 0.95 0.55 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 0.00 115 S 9.04 4.95 0.00 3.94 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 0.00 116 V 8.65 4.67 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 0.82 0.00 0.00 0.94 0.00 0.00 117 L 9.02 4.40 0.00 1.57 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.