NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3638 8.1849 120.6352 54.1799 43.3055 176.2004 2 K 4.4957 8.4456 120.8319 56.2370 33.6683 174.4915 3 R 5.3285 10.3453 123.8283 54.5811 34.1651 174.4436 4 I 5.1165 9.0549 123.4434 59.4116 41.4058 173.9225 5 L 4.6803 8.2829 127.9057 53.2090 44.2636 174.8578 6 I 4.7613 8.4044 126.6967 59.4244 39.9192 174.5856 7 V 4.7837 8.4038 127.4840 61.6296 33.6092 174.3112 8 D 4.6428 8.7438 125.1256 53.6284 44.8015 176.0408 9 D 4.6691 8.9922 124.0263 54.1189 40.2408 176.6301 10 D 4.5719 8.6148 121.1869 53.6417 40.8127 176.2366 11 T 3.9505 8.3451 118.6551 64.3176 68.9352 176.1793 12 A 3.9721 8.0678 123.5986 54.9836 18.4011 179.4339 13 I 3.6507 7.9780 118.2737 64.3905 37.1335 178.4053 14 L 3.9492 7.8987 119.7706 58.0225 41.5399 179.2133 15 D 4.2894 8.3202 117.8744 57.4158 41.1924 178.1942 16 S 4.0940 8.1789 113.6455 61.7465 62.3158 176.3090 17 T 3.9014 8.1629 118.6444 66.2333 68.0917 176.5446 18 K 3.8713 8.2222 121.7745 59.6039 32.2362 178.2540 19 Q 4.0044 8.0556 119.6139 59.5046 28.4133 178.6728 20 I 3.7928 7.7483 120.4598 64.5328 37.2942 178.5518 21 L 4.2952 8.3748 120.1381 57.8511 41.3841 179.4231 22 E 4.3608 8.7091 120.4334 58.9196 29.1940 179.0571 23 F 4.2046 8.2639 119.7707 61.0663 39.4856 176.0080 24 E 4.1013 7.7223 115.9138 56.4161 29.7028 176.8612 25 G 3.8762 7.8690 106.3558 45.6421 0.0000 173.3759 26 Y 4.6641 7.6347 117.5956 57.7203 39.4404 174.6365 27 E 4.5833 9.1719 122.5606 55.8694 31.2402 175.7590 28 V 5.0479 8.4417 122.7058 61.2558 34.7204 174.2307 29 E 5.1019 9.3421 126.2045 54.5218 33.2639 174.8604 30 I 5.1846 8.3065 113.8838 59.3755 41.1959 174.3906 31 A 4.8759 9.0371 123.8851 50.6878 22.4786 176.6562 32 A 5.1068 9.5812 122.6501 51.5162 20.0847 176.3787 33 T 4.5834 7.2615 105.8977 58.9235 73.2398 174.5098 34 A 3.9344 8.8496 123.6909 55.2190 18.3864 180.1877 35 G 3.5484 8.8657 104.5415 48.0822 0.0000 175.4141 36 E 4.0765 8.2583 122.3314 58.7048 29.5557 179.1625 37 G 3.5662 8.1627 105.8520 47.8975 0.0000 175.7562 38 L 4.0099 8.4139 122.1620 57.1925 41.0921 179.4218 39 A 4.0187 8.4231 121.2153 55.2376 18.3187 179.9035 40 K 4.1166 8.3084 116.9839 59.6371 31.8942 179.7281 41 I 4.0245 7.8812 119.4045 64.5788 37.1296 178.1053 42 E 4.1803 8.5677 118.6879 58.4775 29.3597 177.4802 43 N 4.9651 7.6107 112.8622 52.8607 40.0203 174.0136 44 E 4.6508 7.9583 115.0241 54.6191 32.6412 174.4877 45 F 4.3227 8.3399 122.6388 57.7857 40.2036 174.8324 46 F 4.4741 7.3636 125.0124 55.3513 42.4471 174.7507 47 N 4.3994 8.4448 122.3281 56.1859 39.0996 175.3392 48 L 4.6891 7.4646 117.6649 53.8240 45.7225 173.8725 49 A 4.9215 8.6885 126.0223 49.9557 22.7787 174.6917 50 L 4.6998 8.5284 121.1971 53.3207 43.8782 175.9531 51 F 5.2167 8.3393 124.1554 56.1555 41.8940 174.4320 *53 I 4.1512 8.3347 117.6848 61.6938 39.3868 176.8278 54 K 4.3587 7.7734 121.4915 54.9982 30.3941 176.0687 55 L 4.5158 7.2675 120.7651 52.6688 43.5954 175.6866 56 P 4.3532 0.0000 0.0000 64.8444 31.6214 176.8013 57 D 4.5632 7.8103 115.7667 53.5981 40.5000 176.4730 *59 E 4.2620 7.8273 119.7974 56.0163 31.8609 176.6247 60 G 3.6721 9.2301 110.5362 48.1153 0.0000 176.2886 61 T 3.9783 7.7172 111.5661 64.6486 68.7720 176.2734 62 E 3.8939 7.8070 121.7464 58.8157 29.7761 178.1583 63 L 3.7276 7.7338 120.4904 57.9240 41.9446 178.7011 64 L 4.0424 7.9588 120.3649 58.2572 42.2241 178.6831 65 E 4.0451 8.2286 118.3831 59.5664 29.4786 179.6364 66 K 3.9915 8.2677 118.1483 59.4364 32.0377 179.2910 67 A 4.0605 8.4781 121.4756 55.5010 18.1968 179.1700 68 H 4.1462 8.7816 117.1558 59.3091 29.6838 177.7089 69 K 4.0978 7.8504 119.2540 59.3164 31.9414 179.0903 70 L 4.3110 7.7885 118.3111 56.7385 42.8916 178.3033 71 R 4.6826 8.2518 118.4105 53.4190 30.9979 173.7844 72 P 4.1617 0.0000 0.0000 64.6639 32.3686 178.6560 73 G 3.8044 7.1568 109.7729 44.5032 0.0000 173.1318 *75 K 4.3402 7.4455 118.1919 56.3023 34.8862 176.8866 76 K 4.5883 9.4181 121.7508 54.9974 35.7612 175.0681 77 I 5.0881 8.0208 127.7456 59.0500 41.2759 174.8992 *79 V 4.0911 8.3722 125.6959 64.1567 31.9166 175.9756 80 T 4.6478 8.4914 121.9398 60.4879 70.5007 173.7901 81 G 3.7660 8.8143 114.5241 45.7332 0.0000 173.2920 82 Y 4.7257 7.9973 117.3612 56.9413 38.7425 176.1137 83 A 4.9174 8.3260 121.5627 52.1525 19.5802 178.1451 84 S 4.7430 9.1678 115.6507 55.4973 67.6268 175.2018 85 L 3.8680 8.5143 123.9916 58.4106 41.7640 178.7081 86 E 3.9592 8.2164 118.7481 59.4963 29.6490 178.3201 87 N 4.5987 8.4741 116.7192 55.1655 37.5160 177.5148 88 S 3.9902 8.3173 117.3919 61.3732 63.2013 176.5013 89 V 3.5299 7.9327 122.4864 65.3981 31.2125 177.6016 90 F 3.9085 8.4140 120.2987 61.5710 39.2335 177.2837 91 S 4.3346 8.5576 114.7392 61.4055 62.5180 176.3831 92 L 3.9356 8.2711 123.3240 58.5008 41.7001 179.0114 93 N 4.3148 8.1035 114.4888 55.5248 38.5037 176.3451 94 A 4.2318 7.4702 119.9705 51.6934 19.1354 177.6888 95 G 3.8984 7.6804 105.4493 44.7822 0.0000 174.2900 96 A 4.1585 7.8691 122.3346 52.6185 18.8068 177.9207 97 D 4.5837 9.0421 120.2435 55.5823 41.8770 176.3644 98 A 4.5453 7.5030 119.8974 51.7897 22.2287 174.0701 99 Y 4.6931 8.1775 119.6512 57.2799 42.0787 172.9882 100 I 5.0265 7.7855 129.4748 59.9562 41.3406 174.4036 *102 K 4.5465 8.6132 122.0945 56.3854 33.3162 174.2593 103 P 4.3809 0.0000 0.0000 62.2856 32.1964 176.2771 104 V 3.6771 8.1408 121.5023 62.5645 32.2718 175.2500 105 N 4.6508 8.6094 125.4070 52.1198 39.8916 173.6205 106 P 4.2489 0.0000 0.0000 65.9242 31.4402 178.6885 107 R 3.9976 8.2462 116.7717 59.2970 29.8745 178.6562 108 D 4.2846 8.0047 117.2989 57.1074 41.2780 177.7899 109 L 3.9128 8.0823 120.9249 58.2821 42.0885 178.9577 110 L 4.0616 8.4510 119.2177 57.7920 41.4411 179.4226 111 E 3.9842 8.4643 118.6639 59.4316 29.3850 179.5918 112 K 3.9805 8.3205 118.7088 59.3893 32.0003 179.4615 113 I 3.6056 8.0648 120.4538 64.2605 36.9646 178.3385 114 K 3.9844 8.2575 120.4745 59.4540 32.0134 178.2684 115 E 3.9260 8.4795 119.8256 59.4714 29.5228 179.0788 116 K 4.0222 8.4358 118.7893 59.3864 32.0587 179.4511 117 L 4.0481 8.3409 119.7499 57.6727 41.5168 179.2027 118 D 4.3967 8.4562 119.2598 57.4408 40.6888 178.6107 119 E 3.9912 8.3697 119.1300 59.4478 29.4669 179.1548 120 Q 4.1747 8.3735 119.7219 59.3077 29.1024 178.2972 121 E 4.0532 8.2271 119.6161 59.3800 29.5289 179.5228 122 K 4.0599 8.1704 118.5877 59.4118 32.0665 179.1854 123 E 4.0862 8.6255 119.3835 59.4684 29.2711 179.7710 124 G 3.6609 8.3323 105.6868 47.8858 0.0000 175.0979 125 H 4.1516 8.4058 120.7476 59.4863 29.6565 176.9258 126 H 4.0526 8.1367 116.3048 59.4115 28.6729 177.2863 127 H 4.3147 8.2023 116.4850 58.7906 28.4958 176.7363 128 H 4.5409 7.7104 119.2355 57.8550 30.0760 174.5852 129 H 4.4983 7.8836 121.3596 55.7877 28.8732 173.9212 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 L 8.18 4.36 0.00 1.70 1.73 0.92 0.59 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 2 K 8.45 4.50 0.00 2.23 1.94 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.72 7.81 3 R 10.35 5.33 0.00 1.73 1.89 0.00 3.45 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 4 I 9.05 5.12 1.77 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.51 0.76 0.00 0.00 5 L 8.28 4.68 0.00 0.27 0.78 0.63 0.56 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 6 I 8.40 4.76 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.59 0.87 0.00 0.00 7 V 8.40 4.78 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 0.75 0.00 0.00 1.03 0.00 0.00 8 D 8.74 4.64 0.00 2.72 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.99 4.67 0.00 2.82 2.88 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 10 D 8.61 4.57 0.00 2.74 2.72 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 11 T 8.35 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 1.26 0.00 0.00 12 A 8.07 3.97 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 13 I 7.98 3.65 2.04 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 1.79 0.83 0.95 0.00 0.00 14 L 7.90 3.95 0.00 1.90 1.73 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.32 4.29 0.00 2.87 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 16 S 8.18 4.09 0.00 4.00 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 17 T 8.16 3.90 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 1.19 0.00 0.00 18 K 8.22 3.87 0.00 1.90 2.04 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.50 7.81 19 Q 8.06 4.00 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 20 I 7.75 3.79 2.06 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 1.53 0.96 0.99 0.00 0.00 21 L 8.37 4.30 0.00 1.77 1.90 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.71 4.36 0.00 2.13 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 0.00 2.56 2.45 0.00 23 F 8.26 4.20 0.00 3.09 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 24 E 7.72 4.10 0.00 2.11 2.13 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 2.40 2.14 0.00 25 G 7.87 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 0.00 0.00 0.00 26 Y 7.63 4.66 0.00 3.19 2.88 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 27 E 9.17 4.58 0.00 2.04 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 2.36 2.33 0.00 28 V 8.44 5.05 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 0.88 0.00 0.00 1.03 0.00 0.00 29 E 9.34 5.10 0.00 2.08 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 2.51 2.89 0.00 30 I 8.31 5.18 1.87 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 1.30 0.68 0.91 0.00 0.00 31 A 9.04 4.88 1.19 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 32 A 9.58 5.11 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 33 T 7.26 4.58 4.55 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 0.00 0.00 0.00 1.19 0.00 0.00 34 A 8.85 3.93 1.29 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 35 G 8.87 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.26 4.08 0.00 2.06 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 2.32 2.34 0.00 37 G 8.16 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.01 0.00 1.76 1.72 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.42 4.02 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 40 K 8.31 4.12 0.00 2.03 2.15 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.74 7.81 41 I 7.88 4.02 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.68 1.01 0.00 0.00 42 E 8.57 4.18 0.00 2.19 2.05 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 2.38 2.53 0.00 43 N 7.61 4.97 0.00 2.85 2.85 0.00 0.00 6.80 7.54 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 44 E 7.96 4.65 0.00 1.82 1.81 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 2.49 1.63 0.00 45 F 8.34 4.32 0.00 2.93 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 46 F 7.36 4.47 0.00 2.82 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 47 N 8.44 4.40 0.00 2.72 3.00 0.00 0.00 6.72 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 48 L 7.46 4.69 0.00 1.58 1.29 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.69 4.92 0.54 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 0.00 0.00 50 L 8.53 4.70 0.00 1.43 1.46 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.34 5.22 0.00 2.80 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 *53 I 8.33 4.15 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 0.92 0.00 0.00 54 K 7.77 4.36 0.00 1.65 1.52 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 0.57 7.81 55 L 7.27 4.52 0.00 1.56 1.53 0.83 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.35 0.00 2.14 2.14 0.00 3.70 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 1.95 1.92 0.00 57 D 7.81 4.56 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.26 0.00 1.89 1.82 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 2.20 2.21 0.00 60 G 9.23 3.67 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 0.00 61 T 7.72 3.98 3.47 0.00 0.00 0.00 0.00 0.00 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 62 E 7.81 3.89 0.00 1.96 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 0.00 2.33 2.34 0.00 63 L 7.73 3.73 0.00 1.54 1.41 0.54 -0.05 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 64 L 7.96 4.04 0.00 2.03 2.02 1.13 1.41 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 65 E 8.23 4.05 0.00 2.34 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 0.00 2.44 2.88 0.00 66 K 8.27 3.99 0.00 1.76 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.60 7.81 67 A 8.48 4.06 1.54 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 0.00 0.00 68 H 8.78 4.15 0.00 3.40 3.53 0.00 5.79 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 69 K 7.85 4.10 0.00 2.02 1.88 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.70 7.81 70 L 7.79 4.31 0.00 1.83 1.77 0.95 0.98 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 71 R 8.25 4.68 0.00 1.79 1.82 0.00 3.36 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 72 P 0.00 4.16 0.00 2.11 1.97 0.00 3.35 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 73 G 7.16 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 *75 K 7.45 4.34 0.00 1.65 1.73 0.00 1.62 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.56 7.81 76 K 9.42 4.59 0.00 1.64 1.54 0.00 1.53 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.33 7.81 77 I 8.02 5.09 1.72 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 1.03 1.75 0.84 0.00 0.00 *79 V 8.37 4.09 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 0.68 0.00 0.00 0.83 0.00 0.00 80 T 8.49 4.65 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 1.08 0.00 0.00 81 G 8.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 4.73 0.00 2.94 2.95 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 83 A 8.33 4.92 1.45 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 0.00 0.00 84 S 9.17 4.74 0.00 4.05 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 85 L 8.51 3.87 0.00 1.77 1.72 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.22 3.96 0.00 2.10 1.96 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 2.39 2.43 0.00 87 N 8.47 4.60 0.00 3.13 3.09 0.00 0.00 6.84 7.15 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 88 S 8.32 3.99 0.00 3.61 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 89 V 7.93 3.53 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 1.06 0.00 0.00 0.95 0.00 0.00 90 F 8.41 3.91 0.00 3.38 3.24 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 91 S 8.56 4.33 0.00 4.33 4.15 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 8.27 3.94 0.00 1.83 1.83 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.10 4.31 0.00 2.58 2.70 0.00 0.00 7.07 6.97 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 94 A 7.47 4.23 1.04 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 95 G 7.68 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 96 A 7.87 4.16 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 97 D 9.04 4.58 0.00 2.73 2.72 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 98 A 7.50 4.55 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 99 Y 8.18 4.69 0.00 3.11 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 5.03 1.81 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 1.36 0.74 0.90 0.00 0.00 *102 K 8.61 4.55 0.00 1.59 1.73 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 103 P 0.00 4.38 0.00 2.16 2.02 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 104 V 8.14 3.68 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 0.77 0.00 0.00 0.90 0.00 0.00 105 N 8.61 4.65 0.00 2.79 2.69 0.00 0.00 7.21 7.71 0.00 0.00 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 P 0.00 4.25 0.00 2.22 2.12 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 107 R 8.25 4.00 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 108 D 8.00 4.28 0.00 2.79 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 0.00 109 L 8.08 3.91 0.00 1.78 1.82 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.45 4.06 0.00 1.91 1.79 1.01 1.14 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 0.00 111 E 8.46 3.98 0.00 2.20 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 0.00 2.35 2.54 0.00 112 K 8.32 3.98 0.00 1.77 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 113 I 8.06 3.61 1.94 0.00 0.00 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 1.26 0.81 0.58 0.00 0.00 114 K 8.26 3.98 0.00 1.92 2.05 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 115 E 8.48 3.93 0.00 2.15 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 2.42 2.37 0.00 116 K 8.44 4.02 0.00 1.75 1.82 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.60 7.81 117 L 8.34 4.05 0.00 1.74 1.79 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.46 4.40 0.00 2.91 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 0.00 119 E 8.37 3.99 0.00 2.18 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 0.00 2.34 2.52 0.00 120 Q 8.37 4.17 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 121 E 8.23 4.05 0.00 2.27 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 0.00 2.39 2.62 0.00 122 K 8.17 4.06 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 123 E 8.63 4.09 0.00 2.22 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 2.34 2.53 0.00 124 G 8.33 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 0.00 0.00 0.00 125 H 8.41 4.15 0.00 3.34 3.57 0.00 5.79 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 0.00 126 H 8.14 4.05 0.00 3.32 3.30 0.00 5.72 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 0.00 127 H 8.20 4.31 0.00 3.29 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 7.71 4.54 0.00 3.06 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 7.88 4.50 0.00 3.01 3.02 0.00 5.74 0.00 0.00 0.00 0.00 6.91 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.