NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3974 8.3033 118.8224 56.6065 31.8518 177.4583 7 R 4.0372 7.8326 117.5104 55.6204 30.5720 177.6918 8 F 4.0989 8.4245 121.1350 61.3070 40.1884 176.5021 9 Q 4.0636 8.2941 118.6072 58.7970 28.9915 177.6677 10 L 3.8988 7.5942 120.4409 58.1886 42.1133 178.2636 11 A 3.7975 7.5087 120.7049 54.7652 18.5227 179.4715 12 V 3.2690 7.4023 116.3356 65.5030 31.5925 178.6910 13 S 4.1808 7.6918 114.6803 61.3325 62.9744 176.5922 14 G 3.5683 7.7586 110.9220 46.5293 0.0000 173.9697 15 A 4.0220 7.2655 120.2417 52.2461 19.0503 176.9971 16 S 3.5007 7.7587 110.3155 59.4159 60.2379 170.6648 17 A 4.8959 7.6486 120.1315 50.5120 21.5039 177.7858 18 G 4.3434 9.0166 107.2655 44.4980 0.0000 172.7426 19 L 5.3421 9.3097 128.2257 54.2708 43.8969 175.4211 20 W 5.7050 9.3365 122.0189 54.8608 32.0097 173.7672 21 D 5.0771 9.2274 121.1191 52.6946 43.3537 174.1512 22 W 5.2121 9.1315 135.0000 55.6240 34.2344 173.2847 23 N 4.4053 8.5529 126.1376 51.4253 39.0739 174.0034 24 P 2.9700 0.0000 0.0000 64.5910 31.8589 178.1726 25 K 4.0365 7.8754 116.8934 59.5762 32.9572 178.1723 26 T 3.9878 7.9680 108.7502 61.6226 69.2300 175.9793 27 G 3.9383 8.0318 109.8199 44.8626 0.0000 172.9314 28 A 4.5805 7.1556 121.4730 51.5876 20.0451 175.4894 *30 Y 5.3488 8.1022 117.6844 57.9279 40.2902 173.8284 31 L 4.7264 7.0826 124.5526 52.4154 44.9977 176.6741 32 S 4.2601 8.5799 118.3102 57.4680 64.3965 173.4692 33 P 4.2896 0.0000 0.0000 66.4554 30.9982 178.5054 34 H 4.2550 8.3382 116.1323 58.7374 29.5625 176.8739 35 F 3.9732 8.3100 121.6768 61.3286 39.5433 176.5535 36 K 4.2506 8.3604 118.0419 59.4586 31.9036 179.2210 37 K 4.3107 7.9991 120.9711 58.8452 32.1813 180.3350 38 I 3.7179 7.5966 121.4039 60.7142 37.4170 177.0081 *40 G 3.7532 7.8776 105.5997 44.7468 0.0000 172.4727 41 Y 4.7726 8.1626 118.2726 55.5318 40.2552 175.7087 42 E 4.2522 8.6390 123.3413 55.9718 30.3575 177.3595 43 D 4.4182 8.9149 121.0517 57.8649 41.0829 177.5671 44 H 4.5774 8.0654 111.2023 56.7930 29.1366 175.3335 45 E 4.3970 8.1648 119.5757 56.5472 29.4723 176.1835 46 L 4.4128 7.1758 116.7826 52.9804 45.9110 173.2415 47 P 4.4788 0.0000 0.0000 62.3258 32.1345 177.2436 48 D 4.5549 8.6673 120.0401 56.2729 40.9757 176.3595 49 E 4.8325 8.0951 119.3519 54.9251 33.0785 174.4866 50 I 4.6425 8.3128 116.9317 59.4460 40.4243 175.5838 51 T 4.3970 8.0010 118.3848 63.3534 69.2165 174.3173 *55 E 4.2277 8.1984 119.9228 55.6695 31.4710 175.4940 56 S 4.4971 7.7965 111.6903 59.7568 64.4577 173.9031 57 I 4.2517 7.7267 121.7482 61.4320 38.6133 174.8852 58 H 4.2141 9.2736 129.7260 55.6487 29.9110 174.1109 59 P 4.2505 0.0000 0.0000 66.7056 30.5188 178.3370 60 D 4.0692 7.9834 116.5773 56.3249 41.0293 177.2693 61 D 4.6164 7.9879 118.3157 54.7541 41.4434 178.3128 62 R 3.7376 7.3195 119.7139 59.5662 29.8950 178.1354 63 A 3.9312 7.8309 119.5283 55.0844 18.5009 179.2337 64 R 3.7885 7.9062 116.7702 59.5729 30.1619 178.7113 65 V 3.4070 7.8875 118.0667 66.0334 31.5517 177.9289 66 L 3.9248 7.8758 118.4620 57.7372 41.3557 179.4171 67 A 4.0199 8.2693 120.6053 55.1948 18.3389 179.6036 68 A 4.0555 8.1361 119.3464 55.0788 18.4258 179.5906 69 L 3.8779 8.2675 119.0845 58.0627 42.0598 179.1424 70 K 3.9476 8.2588 119.3356 59.6353 32.2429 178.5423 71 A 4.1028 8.4677 121.3847 55.4437 18.2392 179.1845 72 H 5.0096 8.3294 118.0259 59.2218 29.9662 177.6542 73 L 4.4856 8.5747 119.5239 56.9209 41.4631 178.2942 74 E 4.4795 8.3606 117.3342 57.4506 31.1208 176.9729 75 H 4.6788 8.1740 113.3940 54.8120 29.4701 176.6325 76 R 4.2764 7.8500 118.5699 56.0079 29.2103 176.2789 77 D 4.5862 7.4332 116.9233 54.5437 41.5575 176.5061 78 T 4.1576 8.5239 118.0467 64.5273 69.2722 173.0642 79 Y 4.5253 8.3661 126.4412 56.6137 40.5725 174.1940 80 D 4.3644 7.9463 125.6962 53.7738 42.7123 174.3849 81 V 4.6089 8.5990 118.4968 59.1170 36.2367 174.1808 82 E 5.3863 8.6591 121.3116 55.1111 32.1976 174.8639 83 Y 4.7773 8.7934 120.7127 56.5502 42.2544 173.0401 84 R 4.6552 8.8272 118.9866 54.7950 32.1875 176.3761 85 V 4.9696 8.4578 115.9940 59.3994 35.6933 174.8512 86 R 3.6527 8.6743 125.8183 55.6889 30.4727 176.6521 87 T 4.2530 8.6072 117.8392 60.3352 70.1730 175.3080 88 R 4.2035 8.5501 121.0637 58.5778 29.6349 176.7176 89 S 4.4200 7.7987 110.6887 57.9712 63.2752 175.3591 90 G 3.8137 8.1436 107.6439 46.7350 0.0000 173.8452 91 D 4.7327 7.3387 119.9351 53.0457 42.6654 175.7912 92 F 4.9056 8.6950 121.1912 57.0675 40.2334 175.2149 93 R 4.8760 8.7708 120.7410 54.1755 34.5785 174.4197 94 W 5.1249 9.0316 121.2901 55.7931 30.9127 175.6613 95 I 4.9165 8.6586 117.3850 59.0689 40.8702 173.8983 96 Q 4.8496 8.6361 125.0005 55.0315 30.9682 173.8790 97 S 5.2271 9.2990 121.2875 56.4998 65.3653 172.5482 98 R 4.8620 7.8239 126.4002 54.6997 33.3200 173.9243 99 G 4.2208 8.4677 110.5753 45.7869 0.0000 172.3637 100 Q 4.6550 8.6626 121.0754 54.2902 31.6229 174.5928 101 A 4.3017 8.8746 128.0217 51.2554 20.2332 176.0365 102 L 4.2774 7.9388 118.7718 52.4226 44.8936 176.2882 103 W 5.1786 8.7584 122.7296 54.6974 32.0982 175.6263 104 N 4.9752 9.1323 119.8883 51.9276 38.4564 175.7951 105 S 4.2626 8.5738 111.3919 60.5924 63.1916 174.5599 106 A 4.2174 8.3814 123.3050 52.1568 18.3501 178.1351 107 G 3.9048 8.2067 104.3360 45.7734 0.0000 173.5469 108 E 4.7102 8.1163 119.2210 54.0673 31.0334 173.7467 109 P 4.4927 0.0000 0.0000 62.4554 31.9594 175.8121 110 Y 4.5934 7.8896 119.8132 56.9453 39.9550 174.7913 111 R 4.6230 6.2764 118.7772 55.9906 33.4656 173.2829 *113 V 3.8580 8.3709 110.2359 61.8415 33.4899 175.7912 114 G 3.6316 6.7917 108.6256 45.5923 0.0000 171.6542 115 W 6.1354 7.8412 116.5899 55.4139 32.5703 173.6826 116 I 5.9897 9.1005 112.6885 58.4632 40.7825 173.3060 *118 D 4.6930 8.6202 120.9601 55.1599 41.4501 175.9564 119 V 4.4720 8.3223 120.7917 61.4774 32.5505 178.5470 120 T 4.0327 8.6839 119.1311 67.1925 68.4043 175.9761 121 D 4.3371 8.0832 120.1164 57.2953 40.8073 178.6975 122 R 3.8409 7.8842 118.7308 59.4470 30.1611 178.6460 123 K 3.6382 7.7627 118.0380 58.9861 31.7515 179.5651 124 R 3.8614 8.1078 118.7534 59.5832 29.9924 178.8930 125 D 4.3815 7.9412 118.1971 57.1741 40.6774 178.7039 126 E 3.8769 8.2632 119.3678 59.4791 29.4969 178.9658 127 D 4.2203 8.0450 117.8090 56.9975 41.2910 177.7849 128 A 3.9435 8.3017 121.8749 55.2338 18.3415 179.3342 129 L 3.8437 8.1180 118.7925 58.3213 42.2734 178.9350 130 R 3.8492 8.1348 118.9674 59.6098 29.9114 178.6338 131 V 3.5807 8.3378 118.1560 66.0144 31.6587 177.9587 132 S 4.2448 8.0788 114.9448 61.8637 62.7710 177.0752 133 R 3.9239 8.1214 120.4546 59.3747 29.6118 179.0297 134 E 3.9963 8.1053 118.1870 59.4792 29.2079 179.3283 135 E 3.9807 8.1805 117.8837 59.1944 29.6391 178.8340 136 L 4.1097 7.9060 120.2769 58.0449 41.9618 178.9762 137 R 4.1429 7.9250 116.7248 57.5242 30.1907 177.5839 138 R 4.6515 7.4206 115.9394 56.2629 31.0764 176.1879 139 L 4.3050 7.5452 124.9135 56.0489 41.9791 176.6087 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 6 E 8.30 4.40 0.00 2.20 2.30 0.00 0.00 0.00 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 2.40 0.00 7 R 7.83 4.04 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 8 F 8.42 4.10 0.00 3.26 3.13 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 9 Q 8.29 4.06 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 10 L 7.59 3.90 0.00 1.86 1.77 0.87 1.18 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 11 A 7.51 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.40 3.27 1.76 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 1.14 0.00 0.00 0.86 0.00 0.00 13 S 7.69 4.18 0.00 4.03 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 0.00 14 G 7.76 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 15 A 7.27 4.02 1.06 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 16 S 7.76 3.50 0.00 4.01 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 17 A 7.65 4.90 1.15 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 0.00 0.00 18 G 9.02 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 0.00 0.00 0.00 0.00 19 L 9.31 5.34 0.00 2.04 1.77 1.06 0.92 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 20 W 9.34 5.70 0.00 3.22 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 21 D 9.23 5.08 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 22 W 9.13 5.21 0.00 3.62 3.34 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 23 N 8.55 4.41 0.00 2.66 2.46 0.00 0.00 6.94 8.53 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 24 P 0.00 2.97 0.00 1.75 1.64 0.00 3.42 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 25 K 7.88 4.04 0.00 1.79 1.85 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.41 7.81 26 T 7.97 3.99 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 1.18 0.00 0.00 27 G 8.03 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 28 A 7.16 4.58 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 *30 Y 8.10 5.35 0.00 3.15 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 31 L 7.08 4.73 0.00 1.17 0.96 0.72 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.58 4.26 0.00 4.06 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 33 P 0.00 4.29 0.00 2.26 2.23 0.00 3.71 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 2.21 2.24 0.00 34 H 8.34 4.26 0.00 3.31 3.57 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.31 3.97 0.00 3.20 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 36 K 8.36 4.25 0.00 2.12 2.06 0.00 1.75 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.67 7.81 37 K 8.00 4.31 0.00 1.89 1.81 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.31 7.81 38 I 7.60 3.72 1.74 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 1.38 0.51 0.76 0.00 0.00 *40 G 7.88 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 41 Y 8.16 4.77 0.00 3.09 2.83 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 42 E 8.64 4.25 0.00 2.03 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 2.39 2.42 0.00 43 D 8.91 4.42 0.00 2.67 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 44 H 8.07 4.58 0.00 3.33 3.44 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.16 4.40 0.00 2.20 2.20 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 2.27 1.92 0.00 46 L 7.18 4.41 0.00 1.50 1.38 0.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.48 0.00 2.17 1.97 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 48 D 8.67 4.55 0.00 2.85 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 49 E 8.10 4.83 0.00 1.98 1.86 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 2.44 2.39 0.00 50 I 8.31 4.64 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.84 0.00 0.00 51 T 8.00 4.40 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 1.25 0.00 0.00 *55 E 8.20 4.23 0.00 1.94 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 2.19 2.25 0.00 56 S 7.80 4.50 0.00 4.13 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 57 I 7.73 4.25 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.66 0.86 0.00 0.00 58 H 9.27 4.21 0.00 3.16 2.91 0.00 5.67 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.25 0.00 2.29 2.32 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 60 D 7.98 4.07 0.00 2.42 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 61 D 7.99 4.62 0.00 2.62 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 62 R 7.32 3.74 0.00 1.65 1.90 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 63 A 7.83 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.79 0.00 1.88 2.06 0.00 3.22 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 65 V 7.89 3.41 1.71 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 0.50 0.00 0.00 0.18 0.00 0.00 66 L 7.88 3.92 0.00 1.71 1.68 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.27 4.02 1.40 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 0.00 0.00 0.00 68 A 8.14 4.06 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 69 L 8.27 3.88 0.00 1.69 1.81 0.49 -0.09 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 70 K 8.26 3.95 0.00 1.93 2.06 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.63 7.81 71 A 8.47 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 5.01 0.00 3.52 3.62 0.00 5.83 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 73 L 8.57 4.49 0.00 1.76 1.91 1.16 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.36 4.48 0.00 1.96 1.76 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 2.25 2.34 0.00 75 H 8.17 4.68 0.00 3.41 3.29 0.00 5.71 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 76 R 7.85 4.28 0.00 1.88 2.02 0.00 2.43 0.00 0.00 2.76 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 77 D 7.43 4.59 0.00 3.11 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 78 T 8.52 4.16 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 1.26 0.00 0.00 79 Y 8.37 4.53 0.00 2.93 2.92 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 80 D 7.95 4.36 0.00 2.61 2.46 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 81 V 8.60 4.61 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 0.50 0.00 0.00 0.80 0.00 0.00 82 E 8.66 5.39 0.00 1.94 2.04 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 2.26 2.31 0.00 83 Y 8.79 4.78 0.00 3.06 2.99 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 84 R 8.83 4.66 0.00 1.43 1.66 0.00 2.52 0.00 0.00 2.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 85 V 8.46 4.97 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 0.88 0.00 0.00 0.83 0.00 0.00 86 R 8.67 3.65 0.00 1.30 1.60 0.00 3.09 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.00 87 T 8.61 4.25 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 1.17 0.00 0.00 88 R 8.55 4.20 0.00 0.67 1.41 0.00 2.45 0.00 0.00 3.60 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.04 0.00 89 S 7.80 4.42 0.00 3.94 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 90 G 8.14 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 0.00 0.00 0.00 91 D 7.34 4.73 0.00 2.57 2.53 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 92 F 8.69 4.91 0.00 2.89 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 93 R 8.77 4.88 0.00 1.68 1.91 0.00 3.31 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 94 W 9.03 5.12 0.00 3.28 3.13 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 95 I 8.66 4.92 1.73 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.05 0.77 0.00 0.00 96 Q 8.64 4.85 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 97 S 9.30 5.23 0.00 3.88 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 98 R 7.82 4.86 0.00 1.03 0.66 0.00 3.43 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.54 0.00 99 G 8.47 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 0.00 0.00 0.00 0.00 100 Q 8.66 4.66 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 101 A 8.87 4.30 0.53 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 0.00 102 L 7.94 4.28 0.00 0.34 0.83 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.76 5.18 0.00 3.42 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 0.00 104 N 9.13 4.98 0.00 2.98 3.11 0.00 0.00 6.79 8.31 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 0.00 105 S 8.57 4.26 0.00 4.02 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 0.00 106 A 8.38 4.22 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 0.00 107 G 8.21 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 0.00 108 E 8.12 4.71 0.00 2.27 1.95 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 2.39 2.38 0.00 109 P 0.00 4.49 0.00 1.85 1.60 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 110 Y 7.89 4.59 0.00 2.89 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 0.00 111 R 6.28 4.62 0.00 1.80 1.33 0.00 3.29 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 *113 V 8.37 3.86 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 0.53 0.00 0.00 0.70 0.00 0.00 114 G 6.79 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 0.00 0.00 0.00 115 W 7.84 6.14 0.00 3.53 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 0.00 116 I 9.10 5.99 1.86 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.04 1.12 0.00 0.00 *118 D 8.62 4.69 0.00 2.68 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 0.00 119 V 8.32 4.47 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 0.90 0.00 0.00 1.01 0.00 0.00 120 T 8.68 4.03 4.33 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 1.37 0.00 0.00 121 D 8.08 4.34 0.00 2.68 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 0.00 122 R 7.88 3.84 0.00 1.83 1.99 0.00 3.27 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 123 K 7.76 3.64 0.00 1.37 0.74 0.00 1.45 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 0.77 7.81 124 R 8.11 3.86 0.00 2.01 1.97 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 125 D 7.94 4.38 0.00 2.68 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 0.00 126 E 8.26 3.88 0.00 1.99 1.88 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 2.25 2.38 0.00 127 D 8.05 4.22 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.30 3.94 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 0.00 129 L 8.12 3.84 0.00 1.72 1.90 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.13 3.85 0.00 2.05 2.05 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 131 V 8.34 3.58 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 0.99 0.00 0.00 1.01 0.00 0.00 132 S 8.08 4.24 0.00 4.10 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 0.00 133 R 8.12 3.92 0.00 1.99 1.96 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 134 E 8.11 4.00 0.00 2.04 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 2.32 2.34 0.00 135 E 8.18 3.98 0.00 1.93 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 2.37 0.00 136 L 7.91 4.11 0.00 1.86 1.79 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.92 4.14 0.00 2.00 1.97 0.00 3.19 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 138 R 7.42 4.65 0.00 1.93 2.00 0.00 3.02 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 139 L 7.55 4.30 0.00 1.77 1.58 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.