NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.9276 8.3544 109.7371 44.9799 0.0000 174.2002 9 D 4.2797 8.2567 123.6464 54.9255 41.7784 175.8659 10 Q 3.6068 8.0189 115.8672 58.7427 30.2970 176.9746 11 V 4.6142 7.1769 112.1265 58.7925 35.8936 176.3983 12 S 4.4242 8.3162 116.3640 57.9312 64.9746 175.1245 13 K 3.9069 8.5378 123.1871 59.7459 32.0231 178.7033 14 Q 3.9637 8.0187 119.3392 59.5359 29.0099 177.6052 15 H 4.3552 8.3399 119.3527 58.9343 29.8676 177.1069 16 K 3.8733 8.5260 121.7529 59.5961 31.7098 178.6694 17 A 4.0835 8.3286 121.1384 54.9451 18.1951 179.5270 18 F 4.1471 8.1289 118.8338 61.6231 39.5076 177.5856 19 L 4.0081 8.3567 118.6985 57.4849 41.2600 179.5444 20 R 3.9414 8.0300 119.0554 59.3989 30.0619 178.7584 21 K 4.0035 7.6923 117.8483 59.4513 32.0276 179.4472 22 L 3.9406 7.6052 119.2980 57.6369 41.3684 179.0248 23 Y 4.1446 8.3694 119.9668 60.6121 38.5759 177.7700 24 L 3.9243 8.0381 118.5205 57.8859 41.8842 178.9554 25 A 4.0958 7.7477 119.2336 55.4063 18.3162 178.9132 26 H 4.5738 8.4101 116.5977 59.3875 29.6071 178.2726 27 L 4.0070 7.6951 117.7617 55.7095 41.2026 178.4210 *29 D 4.6410 8.0521 120.2990 54.0692 42.7942 175.7994 30 D 4.6481 7.8137 116.3593 54.7502 41.5483 175.8602 31 A 4.4968 7.3878 119.8932 50.6447 22.2718 175.9333 32 R 4.2523 8.2284 119.3448 56.2343 30.5277 175.9282 33 H 5.2787 9.0583 120.7529 54.0438 33.5589 172.3654 34 N 5.6258 9.3649 117.4159 50.9382 40.9072 174.9628 35 L 4.0863 9.0251 117.3591 58.1837 41.6176 179.3454 36 L 4.0023 8.0718 119.9496 58.1140 42.1460 179.0530 37 S 4.2066 8.6981 114.3003 61.5669 63.0984 176.3697 38 L 4.0886 8.5878 123.4771 57.2784 41.2259 179.8435 39 G 3.6167 8.4273 105.8624 47.8967 0.0000 176.0459 40 K 4.0300 7.9711 120.8860 58.7907 31.9356 179.3204 41 L 4.1316 8.1166 120.9788 57.6434 41.9184 178.2915 42 T 4.4881 8.2039 107.5814 60.4721 70.7697 173.1619 43 G 3.5044 8.0039 111.4191 45.4320 0.0000 171.2314 *45 P 4.2021 0.0000 0.0000 62.4298 34.0008 177.0804 46 R 3.8900 8.4331 117.6863 59.8352 29.6597 178.5310 47 R 3.8544 7.9012 117.7824 59.7349 30.2688 178.3347 48 T 3.8661 7.9270 115.0595 66.5444 68.3028 176.4517 49 L 3.9212 7.8029 120.3007 57.9114 41.7753 179.2861 50 Q 3.9110 8.1693 118.0679 59.3313 28.4754 179.0802 51 D 4.3844 8.1900 118.4429 57.0753 41.0927 178.5086 52 A 4.1887 8.0508 121.2699 55.3636 18.4801 179.7273 53 I 2.2344 7.7853 118.4068 64.0460 36.8145 178.4874 54 A 3.9904 8.1034 121.1931 54.4980 18.3926 178.7684 55 S 4.6357 7.7503 110.8525 58.6595 63.4065 176.0599 56 F 4.2996 8.2764 123.7126 61.0949 38.5788 177.1301 57 A 4.0647 8.2177 119.8455 55.4178 17.8582 179.1332 58 D 4.4959 8.0251 116.8835 56.4626 40.8290 177.5156 59 I 4.3569 7.6195 110.6426 60.4019 37.7417 176.3388 60 G 3.8576 8.1698 107.6306 46.1056 0.0000 173.5752 61 I 4.3228 7.5218 120.3348 59.9570 38.2447 175.0204 62 E 4.6270 8.9285 128.3414 55.0275 30.8017 175.7484 63 V 4.9077 8.4571 124.1576 59.9048 34.0777 174.7639 64 E 4.8756 9.4579 122.2491 54.5162 33.6226 174.4028 65 F 4.9661 8.6563 123.1837 56.4215 41.5537 174.4352 66 V 4.1661 7.6434 126.1319 60.9847 34.2082 174.2120 67 Q 4.9516 8.1065 124.4710 53.3637 32.9538 174.7199 68 D 4.5437 8.5721 119.6701 53.0773 40.1360 177.6815 69 G 3.6228 8.6149 109.2875 48.9206 0.0000 174.7196 70 E 4.0306 8.1155 116.5823 56.3968 29.8899 176.4910 71 R 3.7743 7.4661 117.1731 57.7636 28.3094 176.6521 72 H 4.7611 8.2606 114.3513 56.9366 30.6318 175.9012 73 N 4.6479 8.0807 114.9456 52.2167 39.2162 174.5952 74 A 4.2106 8.2873 122.8808 52.0948 19.1616 178.1080 75 G 3.5062 8.4129 108.9713 45.5333 0.0000 171.9821 76 Y 5.0687 7.0379 116.0565 55.4555 41.6050 174.2971 77 Y 4.9287 9.2509 119.2430 58.0010 39.2826 175.1146 78 R 4.7786 9.1726 122.2837 54.7469 34.2859 174.0219 79 I 4.3676 8.3865 126.3995 60.7618 37.1005 175.7547 80 R 4.1111 9.1347 129.4935 59.4143 30.6589 176.7013 81 T 4.7376 7.4706 111.3902 60.9240 70.5017 174.4148 82 W 4.2452 9.4143 127.1216 57.0787 30.9371 178.1486 83 G 3.8526 7.5002 106.2243 46.2719 0.0000 173.9313 84 P 4.4863 0.0000 0.0000 63.3905 31.4935 175.8107 85 I 4.1839 7.6277 121.1568 60.2704 37.8391 175.2451 86 S 4.3925 8.4229 119.9644 56.8241 62.3410 174.6961 87 S 2.9954 7.9836 123.5145 60.7414 62.7907 175.5993 88 A 4.2742 7.6562 122.1314 54.0142 18.3393 178.9867 89 W 4.1981 7.7861 123.4170 58.0587 29.8405 177.4734 *91 D 4.5682 8.2431 118.4126 54.1810 42.1395 178.1416 92 T 3.8760 7.5287 114.0762 65.8914 68.7055 175.7559 93 H 4.5338 7.5212 116.1406 55.1372 29.0292 176.0475 94 V 3.6201 7.6362 122.1985 66.4950 31.3027 177.5266 95 D 4.3517 8.0457 117.6642 57.3811 40.7455 178.3450 96 E 3.8660 8.0412 119.0297 59.3992 29.7399 178.9196 97 V 3.5578 7.9424 118.3534 65.7738 31.6844 177.7817 98 K 3.3634 8.2624 119.8368 59.3456 31.8935 178.5185 99 S 3.9824 7.8948 113.0556 61.4569 62.1628 175.8188 100 L 3.9437 7.5613 120.5382 58.1306 41.5669 179.3625 101 L 4.1892 7.8457 116.6130 54.9175 41.7135 177.3516 102 G 3.7667 8.0966 107.1525 46.3047 0.0000 173.9621 103 V 3.6581 7.5474 120.0393 62.1469 31.7879 174.5463 104 D 4.7568 8.4445 126.7575 52.0417 43.0241 174.8509 105 D 5.2362 8.9425 125.2555 53.5349 40.2671 175.7726 106 A 4.0500 8.3175 130.6539 55.4275 18.5426 179.9959 107 V 3.6701 7.8874 114.1848 65.6537 31.7213 177.5423 108 G 3.7171 8.4562 111.0585 48.4944 0.0000 175.7768 109 Q 4.0784 8.2052 117.3468 58.4042 28.5331 180.3733 110 A 4.2528 7.5266 124.7134 51.5468 18.3665 176.9924 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 8 G 8.35 3.93 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 0.00 0.00 0.00 9 D 8.26 4.28 0.00 2.73 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 10 Q 8.02 3.61 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.01 0.00 11 V 7.18 4.61 2.17 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 0.84 0.00 0.00 0.93 0.00 0.00 12 S 8.32 4.42 0.00 4.06 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 13 K 8.54 3.91 0.00 1.86 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 Q 8.02 3.96 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 15 H 8.34 4.36 0.00 3.25 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.53 3.87 0.00 2.01 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 A 8.33 4.08 1.46 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 0.00 0.00 18 F 8.13 4.15 0.00 3.15 3.28 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 19 L 8.36 4.01 0.00 1.88 1.77 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.03 3.94 0.00 2.03 2.18 0.00 3.14 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 1.71 1.74 0.00 21 K 7.69 4.00 0.00 1.58 1.30 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.75 7.81 22 L 7.61 3.94 0.00 1.77 1.80 0.30 0.47 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 23 Y 8.37 4.14 0.00 3.15 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 24 L 8.04 3.92 0.00 2.05 1.88 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.75 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.41 4.57 0.00 3.48 3.45 0.00 5.80 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 27 L 7.70 4.01 0.00 1.75 1.52 0.78 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *29 D 8.05 4.64 0.00 3.18 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 30 D 7.81 4.65 0.00 2.58 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 31 A 7.39 4.50 1.14 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 32 R 8.23 4.25 0.00 1.45 1.47 0.00 2.62 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.31 0.00 33 H 9.06 5.28 0.00 3.18 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.36 5.63 0.00 2.98 3.32 0.00 0.00 7.25 6.65 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 35 L 9.03 4.09 0.00 1.78 1.82 0.92 0.47 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 36 L 8.07 4.00 0.00 1.80 1.87 0.95 0.78 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 37 S 8.70 4.21 0.00 4.21 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 0.00 38 L 8.59 4.09 0.00 1.90 1.77 0.87 0.52 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 39 G 8.43 3.62 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 0.00 0.00 0.00 40 K 7.97 4.03 0.00 1.86 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.63 7.81 41 L 8.12 4.13 0.00 1.87 1.78 0.98 0.75 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 42 T 8.20 4.49 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 1.38 0.00 0.00 43 G 8.00 3.50 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 *45 P 0.00 4.20 0.00 2.31 2.25 0.00 3.73 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 1.98 2.03 0.00 46 R 8.43 3.89 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 47 R 7.90 3.85 0.00 2.00 1.90 0.00 3.36 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.29 0.00 48 T 7.93 3.87 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 1.23 0.00 0.00 49 L 7.80 3.92 0.00 1.89 1.65 0.94 0.80 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 50 Q 8.17 3.91 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 51 D 8.19 4.38 0.00 2.66 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 52 A 8.05 4.19 1.46 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 0.00 0.00 53 I 7.79 2.23 1.68 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.18 0.34 0.00 0.00 54 A 8.10 3.99 1.31 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 0.00 0.00 0.00 55 S 7.75 4.64 0.00 4.29 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 56 F 8.28 4.30 0.00 2.95 3.28 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 57 A 8.22 4.06 1.35 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 0.00 0.00 0.00 58 D 8.03 4.50 0.00 2.93 2.81 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 59 I 7.62 4.36 2.02 0.00 0.00 0.59 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 0.65 1.09 0.00 0.00 60 G 8.17 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 0.00 0.00 0.00 0.00 61 I 7.52 4.32 1.70 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.58 0.00 0.00 62 E 8.93 4.63 0.00 1.93 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 2.29 2.26 0.00 63 V 8.46 4.91 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 0.57 0.00 0.00 1.07 0.00 0.00 64 E 9.46 4.88 0.00 1.82 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 2.20 2.21 0.00 65 F 8.66 4.97 0.00 2.66 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 66 V 7.64 4.17 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 0.00 0.00 0.64 0.00 0.00 0.60 0.00 0.00 67 Q 8.11 4.95 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 68 D 8.57 4.54 0.00 2.82 2.81 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 69 G 8.61 3.62 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 0.00 0.00 0.00 70 E 8.12 4.03 0.00 2.11 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 2.31 2.33 0.00 71 R 7.47 3.77 0.00 1.84 1.93 0.00 3.09 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 72 H 8.26 4.76 0.00 3.16 3.32 0.00 5.67 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 N 8.08 4.65 0.00 2.92 2.76 0.00 0.00 7.00 7.87 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 74 A 8.29 4.21 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 75 G 8.41 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 76 Y 7.04 5.07 0.00 3.04 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 77 Y 9.25 4.93 0.00 2.93 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 78 R 9.17 4.78 0.00 1.86 1.66 0.00 3.15 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 79 I 8.39 4.37 1.74 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 1.15 0.45 0.15 0.00 0.00 80 R 9.13 4.11 0.00 1.77 2.09 0.00 3.29 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 81 T 7.47 4.74 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 1.31 0.00 0.00 82 W 9.41 4.25 0.00 3.47 3.48 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 83 G 7.50 3.85 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 0.00 0.00 0.00 84 P 0.00 4.49 0.00 2.23 2.21 0.00 3.98 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 85 I 7.63 4.18 2.37 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 1.07 0.00 0.00 86 S 8.42 4.39 0.00 3.84 3.76 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 87 S 7.98 3.00 0.00 2.93 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 88 A 7.66 4.27 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 89 W 7.79 4.20 0.00 3.38 3.28 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 *91 D 8.24 4.57 0.00 2.93 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 92 T 7.53 3.88 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 0.89 0.00 0.00 93 H 7.52 4.53 0.00 2.29 2.86 0.00 5.84 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.64 3.62 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 1.31 0.00 0.00 0.85 0.00 0.00 95 D 8.05 4.35 0.00 2.76 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 96 E 8.04 3.87 0.00 1.98 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 2.39 2.37 0.00 97 V 7.94 3.56 2.22 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 0.95 0.00 0.00 1.04 0.00 0.00 98 K 8.26 3.36 0.00 1.84 1.86 0.00 1.81 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.28 7.81 99 S 7.89 3.98 0.00 3.93 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 0.00 100 L 7.56 3.94 0.00 1.79 1.73 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.85 4.19 0.00 1.41 1.60 0.76 0.75 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 0.00 102 G 8.10 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 0.00 103 V 7.55 3.66 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 0.90 0.00 0.00 0.75 0.00 0.00 104 D 8.44 4.76 0.00 2.62 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 0.00 105 D 8.94 5.24 0.00 2.76 2.61 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 0.00 106 A 8.32 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.89 3.67 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 0.78 0.00 0.00 0.95 0.00 0.00 108 G 8.46 3.72 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 0.00 0.00 0.00 109 Q 8.21 4.08 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 110 A 7.53 4.25 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 * Residues marked with a * may have inaccurate shift predictions.