NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1288 8.4181 114.7664 58.2278 64.6497 174.1180 2 M 3.7527 8.4997 121.4568 58.9065 30.5030 177.1702 3 Y 4.2303 7.7431 118.6884 60.8647 38.4214 179.8625 4 Q 4.1147 8.4134 119.1901 59.0921 28.8734 178.3113 5 L 4.0756 8.1522 120.7734 58.1401 41.8052 178.8194 6 W 4.0242 8.9467 128.8297 60.0621 30.6864 178.0624 7 K 4.2711 8.6336 119.8053 59.9652 31.8411 178.2351 8 M 4.1450 8.6411 119.2869 59.1714 31.8910 178.8646 9 I 3.7052 8.1437 119.5561 64.6873 37.2004 177.7615 10 L 4.1218 7.8541 123.2256 57.2972 41.7266 178.7246 11 Q 4.1096 8.2955 119.2327 58.7986 28.4749 178.0453 12 E 4.3308 7.9682 121.3302 59.0881 30.1335 177.7366 13 T 4.3114 8.3874 109.6766 63.3020 69.2851 176.0793 *15 G 4.3933 7.6534 108.1920 44.8466 0.0000 172.1083 16 K 4.5746 7.6053 117.0474 53.3299 36.3813 175.3844 17 N 4.2485 8.4390 117.9857 52.9647 39.3998 175.0441 18 A 3.7903 7.7363 126.2549 55.4594 18.1512 179.0033 19 V 3.6357 8.1860 114.0284 65.2437 32.0075 176.3717 20 P 4.2874 0.0000 0.0000 65.7452 31.4157 178.1772 21 S 4.7476 7.9507 111.5925 58.7977 63.8019 174.2884 22 Y 4.7897 8.6539 119.1918 58.8463 40.4067 177.8085 23 G 4.3224 8.0339 108.8876 48.2062 0.0000 174.2231 24 L 4.8430 7.9083 118.3275 54.3756 43.2504 175.1329 25 Y 4.3561 8.2631 118.7011 57.8976 39.8291 176.9724 26 G 3.5088 7.3964 112.6926 47.3026 0.0000 173.8575 27 C 4.6327 9.0633 115.4753 57.6838 39.7988 173.9483 28 N 4.9915 8.4274 116.0651 54.1887 39.7793 176.2130 29 C 4.0292 7.7167 114.4344 60.0413 40.4848 174.7046 30 G 4.2899 7.2165 105.3572 44.0406 0.0000 173.1907 31 V 4.1220 8.1694 118.3509 61.7721 30.6520 175.2427 32 G 4.2666 8.9312 115.4778 45.0479 0.0000 171.1372 33 S 4.8349 7.6809 112.5408 56.2790 65.9000 172.7534 34 R 5.3271 6.9524 117.2267 56.1317 33.6716 174.2182 35 G 3.9132 8.4814 107.9011 45.5368 0.0000 171.4518 36 K 3.7972 7.7481 121.4340 55.9714 32.3742 175.2911 37 P 4.3227 0.0000 0.0000 63.2143 31.6829 176.9094 38 K 3.8870 9.7273 123.1519 57.9044 32.3933 176.2123 39 D 4.3385 7.9146 116.5492 51.8480 41.5079 176.8268 40 A 3.8963 8.0985 120.2202 55.8799 18.3411 179.7778 41 T 3.6139 7.8088 113.1959 66.7081 68.6533 176.0992 42 D 4.4145 7.9143 118.8364 57.5111 41.0923 178.6218 43 R 3.9786 8.5260 118.6754 59.5645 30.1089 178.0010 44 C 3.9267 8.0694 116.2358 60.5916 40.0072 175.7944 45 C 4.0869 7.6831 115.7475 59.9844 35.7069 175.6077 46 F 4.4034 8.0272 121.9165 61.6641 38.9791 177.4462 47 V 3.0674 8.0830 117.9607 65.9841 31.0074 177.3683 48 H 3.9981 8.5429 118.1101 58.4385 29.2763 177.5400 49 K 3.8264 7.3209 119.7588 59.6890 32.3597 178.0593 50 C 4.2557 7.7550 116.1972 60.0675 39.8383 176.4238 51 C 4.0768 7.7826 118.8717 60.2091 38.9630 175.2566 52 Y 4.2301 7.6402 117.4808 60.7122 37.4037 178.1399 53 K 4.2244 7.7472 117.0804 57.4567 31.5739 178.5631 *57 K 4.6717 7.7798 119.5852 56.4793 33.8325 176.0795 58 L 4.2093 7.5212 118.9322 54.6800 39.8884 175.9861 59 T 4.5235 8.1576 112.0641 61.3342 69.0394 175.4361 60 D 4.8085 7.7462 117.3906 54.1616 43.4098 173.9148 61 C 4.5793 7.7678 112.6765 54.3660 38.5826 173.0080 *67 S 4.4336 8.7315 116.8791 57.5058 63.3662 172.7917 68 P 4.1805 0.0000 0.0000 64.3145 31.3696 177.4711 69 K 4.0081 7.8216 121.4669 58.7890 32.4958 178.0464 70 T 4.2916 7.4496 107.7695 62.1543 70.2226 174.9307 71 D 4.3634 7.8037 122.8427 54.2422 41.0427 175.5681 72 S 5.1127 8.7925 118.8890 56.0487 64.3755 173.6572 73 Y 4.6339 7.5654 123.3844 55.5941 39.9322 174.0138 74 S 4.9528 8.6577 114.7421 56.8246 63.9727 172.2701 75 Y 5.2487 8.0879 123.4520 57.8423 40.9124 172.8668 76 S 4.3385 9.1168 114.2863 57.5104 67.8987 173.2271 77 W 5.3048 8.7082 119.1006 55.1530 30.1174 175.3416 78 K 4.1312 9.3291 126.1347 56.8939 29.8539 173.8926 79 D 4.4433 9.2831 119.7426 55.2500 37.6136 174.1592 80 K 3.3328 8.4771 116.0833 56.2898 30.5184 175.8027 81 T 4.1150 6.5818 115.9113 61.0573 71.4484 173.7662 82 I 4.5380 7.9209 127.2742 61.6552 38.4207 176.6194 83 V 4.1284 9.1342 126.0838 62.0707 33.6273 175.1344 84 C 4.4812 9.4829 127.3879 56.8929 38.8245 174.6087 85 G 4.0595 9.4212 124.3222 46.9009 0.0000 172.1449 86 D 4.5413 8.1005 124.8319 52.6034 41.9545 175.4455 87 N 4.4572 8.6294 115.9855 54.3647 39.2923 174.6650 88 N 4.4146 8.5818 119.7607 52.7264 39.4848 171.6744 89 P 4.6930 0.0000 0.0000 64.4578 33.1797 177.7934 90 C 4.0235 8.2286 119.2309 58.9199 40.0284 175.1058 *92 L 4.2222 7.7893 118.0096 54.8605 43.5280 178.8804 93 Q 3.7886 8.2206 119.2105 59.1587 28.9453 177.5768 94 E 3.9190 8.1927 119.1702 59.8406 29.5175 178.7635 95 M 3.9495 7.8903 117.6748 59.1748 32.1564 177.4527 96 C 2.9158 8.2738 118.4651 59.2260 43.3108 175.3824 97 E 3.8089 8.4223 119.9700 59.0228 29.3627 178.2958 98 C 4.4278 8.5589 117.0947 60.1660 40.9264 175.4833 99 D 4.4091 8.2295 120.4763 57.7018 40.5930 179.2640 100 K 3.9272 7.8124 119.3879 59.2028 31.6474 178.5355 101 A 4.0966 7.9882 121.0221 53.9930 18.2137 179.9259 102 V 3.5115 7.4470 117.5462 64.7284 31.5013 178.2975 103 A 3.8748 7.9001 121.8032 54.5979 17.9401 179.4194 104 I 3.8733 7.4258 116.9222 63.9111 37.5422 177.3037 105 C 4.3157 7.6399 118.9990 59.3332 41.8053 175.1536 106 L 3.5702 8.1642 120.8968 58.0683 40.9869 179.8087 107 R 3.7744 7.3959 116.7277 59.0822 30.1591 177.8272 108 E 4.1182 8.1852 118.0957 57.7302 30.2929 176.3808 109 N 5.1218 7.5703 116.7659 52.6945 39.7130 176.7763 110 L 4.0950 8.1614 120.4687 58.1502 42.1565 179.8374 111 D 4.5983 8.1604 112.2068 54.5900 38.6380 176.5269 112 T 4.5961 7.6445 113.4974 62.9894 70.6639 173.7484 113 Y 4.0405 8.3710 124.3881 57.9648 39.3558 174.4925 114 N 5.0484 9.0418 124.4979 51.4499 40.2816 175.1056 115 K 4.2986 8.7902 125.9829 59.1465 32.3346 178.4991 116 N 4.2911 7.8797 114.5534 54.8782 38.6803 175.2459 117 Y 4.4602 7.8962 116.0618 59.0008 39.0060 178.3669 118 K 4.3678 7.1663 120.6527 59.0166 32.6175 176.6150 119 I 4.6070 7.2548 118.5414 59.4747 37.6462 172.5626 120 Y 4.4253 8.2765 123.1303 55.7464 41.1206 171.5275 121 P 3.7221 0.0000 0.0000 65.1671 30.8772 177.2435 122 K 4.8724 8.7868 135.0000 58.2051 32.9171 173.5667 123 P 4.2594 0.0000 0.0000 64.6665 31.2819 177.4395 *125 L 4.4525 7.6277 118.2868 54.5951 43.4136 176.3912 126 C 5.1233 8.1167 115.7706 56.3489 41.5333 171.6205 127 K 4.3289 7.9805 117.2055 55.9327 36.4631 174.7375 *129 K 4.1078 8.4999 120.3020 56.4038 33.2798 175.4377 130 A 4.1122 8.5798 130.1526 51.8821 19.0900 176.8882 131 D 4.4520 7.9569 120.7865 53.8471 41.6421 176.1452 132 A 4.3273 8.2859 124.3774 51.6898 19.3365 178.5991 133 C 4.3895 9.0605 118.6089 57.6373 41.2702 173.9859 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 8.42 5.13 0.00 4.02 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 0.00 2 M 8.50 3.75 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 2.29 0.00 3 Y 7.74 4.23 0.00 3.05 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 4 Q 8.41 4.11 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 5 L 8.15 4.08 0.00 2.06 1.90 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.95 4.02 0.00 3.66 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.27 0.00 2.25 1.99 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.62 7.81 8 M 8.64 4.14 0.00 2.08 2.40 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 9 I 8.14 3.71 1.68 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.81 0.00 0.00 10 L 7.85 4.12 0.00 1.72 1.70 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.30 4.11 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 12 E 7.97 4.33 0.00 2.41 2.14 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 2.35 2.41 0.00 13 T 8.39 4.31 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 1.30 0.00 0.00 *15 G 7.65 4.39 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 0.00 16 K 7.61 4.57 0.00 1.77 1.56 0.00 1.73 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.57 7.81 17 N 8.44 4.25 0.00 2.79 2.84 0.00 0.00 6.66 7.14 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 18 A 7.74 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.19 3.64 2.32 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 1.20 0.00 0.00 1.40 0.00 0.00 20 P 0.00 4.29 0.00 2.19 2.18 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 21 S 7.95 4.75 0.00 3.64 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.65 4.79 0.00 3.08 2.87 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 0.00 0.00 0.00 23 G 8.03 4.32 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 0.00 24 L 7.91 4.84 0.00 1.76 1.82 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.26 4.36 0.00 3.07 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 26 G 7.40 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.06 4.63 0.00 2.90 3.12 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 28 N 8.43 4.99 0.00 3.13 2.94 0.00 0.00 7.21 7.04 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 29 C 7.72 4.03 0.00 3.20 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.17 4.12 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 0.89 0.00 0.00 0.99 0.00 0.00 32 G 8.93 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 0.00 0.00 0.00 33 S 7.68 4.83 0.00 4.25 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 34 R 6.95 5.33 0.00 1.71 1.87 0.00 3.52 0.00 0.00 4.01 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.47 0.00 35 G 8.48 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 36 K 7.75 3.80 0.00 1.54 1.68 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.49 7.81 37 P 0.00 4.32 0.00 1.99 1.93 0.00 3.47 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 38 K 9.73 3.89 0.00 0.79 0.79 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 0.21 7.81 39 D 7.91 4.34 0.00 2.89 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 8.10 3.90 1.34 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 0.00 0.00 0.00 41 T 7.81 3.61 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 0.17 0.00 0.00 42 D 7.91 4.41 0.00 3.06 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 43 R 8.53 3.98 0.00 2.06 2.02 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 44 C 8.07 3.93 0.00 3.02 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 45 C 7.68 4.09 0.00 3.17 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 46 F 8.03 4.40 0.00 3.17 3.23 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 47 V 8.08 3.07 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 0.89 0.00 0.00 48 H 8.54 4.00 0.00 3.05 3.26 0.00 5.63 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 49 K 7.32 3.83 0.00 1.94 1.78 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.56 7.81 50 C 7.75 4.26 0.00 2.69 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 51 C 7.78 4.08 0.00 3.01 3.15 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 0.00 0.00 0.00 0.00 52 Y 7.64 4.23 0.00 3.08 2.91 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 53 K 7.75 4.22 0.00 1.91 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 *57 K 7.78 4.67 0.00 1.88 1.90 0.00 1.79 0.00 0.00 2.35 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.36 7.81 58 L 7.52 4.21 0.00 1.65 1.59 0.61 0.81 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 59 T 8.16 4.52 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 1.20 0.00 0.00 60 D 7.75 4.81 0.00 2.61 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 61 C 7.77 4.58 0.00 3.03 3.12 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 *67 S 8.73 4.43 0.00 4.01 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 68 P 0.00 4.18 0.00 1.16 1.16 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.31 0.00 69 K 7.82 4.01 0.00 1.84 1.77 0.00 1.56 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.42 7.81 70 T 7.45 4.29 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 1.27 0.00 0.00 71 D 7.80 4.36 0.00 2.92 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 72 S 8.79 5.11 0.00 3.88 3.81 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 73 Y 7.57 4.63 0.00 3.06 3.17 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 0.00 74 S 8.66 4.95 0.00 3.95 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 75 Y 8.09 5.25 0.00 3.18 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 76 S 9.12 4.34 0.00 3.82 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 77 W 8.71 5.30 0.00 3.08 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 78 K 9.33 4.13 0.00 1.75 1.68 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.56 7.81 79 D 9.28 4.44 0.00 2.78 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 80 K 8.48 3.33 0.00 1.73 1.75 0.00 1.85 0.00 0.00 1.97 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.39 7.81 81 T 6.58 4.12 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 1.05 0.00 0.00 82 I 7.92 4.54 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.47 1.02 0.00 0.00 83 V 9.13 4.13 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 0.92 0.00 0.00 0.98 0.00 0.00 84 C 9.48 4.48 0.00 2.97 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 85 G 9.42 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 0.00 0.00 0.00 86 D 8.10 4.54 0.00 2.83 2.89 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 87 N 8.63 4.46 0.00 2.75 2.81 0.00 0.00 6.74 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 88 N 8.58 4.41 0.00 2.88 2.88 0.00 0.00 6.88 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 89 P 0.00 4.69 0.00 2.22 2.24 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 90 C 8.23 4.02 0.00 2.97 3.15 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 0.00 0.00 0.00 0.00 *92 L 7.79 4.22 0.00 1.80 1.87 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.22 3.79 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 94 E 8.19 3.92 0.00 1.99 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 2.59 2.32 0.00 95 M 7.89 3.95 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.79 0.00 96 C 8.27 2.92 0.00 1.92 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 97 E 8.42 3.81 0.00 2.09 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 2.26 2.49 0.00 98 C 8.56 4.43 0.00 3.32 3.15 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 0.00 0.00 0.00 0.00 99 D 8.23 4.41 0.00 2.85 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 0.00 100 K 7.81 3.93 0.00 1.77 1.85 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.41 7.81 101 A 7.99 4.10 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.45 3.51 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 0.84 0.00 0.00 0.59 0.00 0.00 103 A 7.90 3.87 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.43 3.87 1.89 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 1.35 0.54 0.86 0.00 0.00 105 C 7.64 4.32 0.00 3.18 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 0.00 106 L 8.16 3.57 0.00 1.62 1.43 0.42 -0.13 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 0.00 107 R 7.40 3.77 0.00 1.80 2.15 0.00 3.33 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 108 E 8.19 4.12 0.00 2.17 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 0.00 2.30 2.38 0.00 109 N 7.57 5.12 0.00 2.60 2.74 0.00 0.00 6.84 6.62 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 0.00 110 L 8.16 4.09 0.00 1.75 1.76 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.16 4.60 0.00 2.78 2.79 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 0.00 112 T 7.64 4.60 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 1.34 0.00 0.00 113 Y 8.37 4.04 0.00 3.07 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 0.00 114 N 9.04 5.05 0.00 2.53 1.85 0.00 0.00 6.93 6.27 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 0.00 115 K 8.79 4.30 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.39 7.81 116 N 7.88 4.29 0.00 2.54 2.95 0.00 0.00 6.88 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.90 4.46 0.00 1.60 1.80 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 0.00 118 K 7.17 4.37 0.00 1.83 1.90 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.68 7.81 119 I 7.25 4.61 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.95 0.00 0.00 120 Y 8.28 4.43 0.00 3.08 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 0.00 121 P 0.00 3.72 0.00 1.73 1.67 0.00 2.50 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 122 K 8.79 4.87 0.00 1.80 1.75 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.21 7.81 123 P 0.00 4.26 0.00 2.15 2.04 0.00 3.57 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 *125 L 7.63 4.45 0.00 1.18 1.28 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.12 5.12 0.00 2.96 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 0.00 127 K 7.98 4.33 0.00 1.64 1.66 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.48 7.81 *129 K 8.50 4.11 0.00 1.81 1.70 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.39 7.81 130 A 8.58 4.11 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 0.00 131 D 7.96 4.45 0.00 2.34 2.56 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 0.00 0.00 0.00 0.00 132 A 8.29 4.33 1.28 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 0.00 0.00 133 C 9.06 4.39 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.