NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2651 8.1749 115.2405 61.4955 68.2592 173.3169 4 I 3.8845 8.3739 130.5480 61.0683 37.9886 173.9454 5 R 4.5538 9.8156 127.3586 54.4240 33.0059 174.9029 6 R 5.0755 8.3116 122.1478 54.6496 32.5052 174.8128 7 Y 4.7037 9.0631 121.2832 55.9963 42.2791 174.7508 8 D 4.2869 8.6371 117.5201 55.3433 39.6920 173.8973 9 V 3.9987 7.7142 117.0603 62.6712 32.7119 174.3734 10 N 4.8165 9.0093 125.7378 51.7755 39.3912 174.8245 11 E 4.0850 8.6037 126.7617 59.1802 30.1705 179.4459 12 D 4.2144 8.2271 117.8729 57.1646 40.9597 177.4453 13 R 4.1708 8.1860 115.6029 55.7056 30.7640 176.2588 14 G 3.9280 7.4897 105.9452 46.5440 0.0000 172.4738 15 H 5.1092 8.0270 112.7169 54.0994 33.1925 172.7367 16 T 4.7840 8.4255 115.1829 61.6153 70.2325 174.6230 17 G 3.8376 9.0107 114.7418 49.0650 0.0000 173.2478 18 L 5.2275 8.4231 123.4588 53.6661 45.8873 174.8867 19 V 4.7981 9.0686 127.4970 61.4040 33.4452 174.0641 20 E 4.6744 9.7439 130.6391 55.1587 30.9982 174.8113 21 A 4.6845 8.9964 130.2599 49.3840 21.2787 176.8065 22 G 3.7199 8.7179 113.6927 48.2459 0.0000 173.4320 23 D 4.7095 8.7848 125.1454 53.4671 41.1959 175.0208 24 F 5.3575 8.0430 118.9485 55.8195 42.3773 174.1567 25 Y 5.2114 8.9961 119.0571 56.5543 41.7158 173.9076 26 Y 4.9493 9.4752 122.6490 56.2328 40.1079 174.9043 27 L 4.8495 8.8088 125.5565 53.8124 43.2505 176.6002 28 N 4.9223 8.7483 122.7429 52.9602 39.9469 173.9087 29 Y 4.4700 8.5253 120.0377 58.1322 38.5370 175.4669 30 C 5.1438 9.8687 120.7035 58.0012 31.0516 173.4029 31 V 4.7163 8.4834 122.3460 60.0971 34.2699 174.8126 32 G 3.8947 8.7551 108.0961 45.9004 0.0000 172.4855 33 N 4.0086 8.3128 113.6357 53.9055 36.2631 175.3146 34 V 3.8085 7.6138 109.6110 62.7822 32.6717 177.1294 35 G 4.0322 8.9876 111.9294 45.2430 0.0000 173.5339 36 Q 4.6990 7.2821 117.8854 54.2204 30.4872 175.2490 37 D 4.6059 8.2160 118.9025 53.1175 41.3198 176.8257 38 I 3.6336 8.3313 119.4955 64.5297 37.8317 177.3214 39 E 3.8715 8.1305 119.3062 59.4655 29.4859 178.7977 40 S 4.1501 8.5431 115.2283 61.6937 62.8771 176.7170 41 Q 4.3456 8.1642 122.1174 58.0525 28.3710 178.7421 42 I 2.7964 7.5712 121.0258 64.1406 36.9990 178.1310 43 N 4.5138 8.0982 117.3915 56.3821 38.5082 177.7526 44 G 3.5815 8.6690 107.1958 47.6509 0.0000 175.6865 45 A 4.0639 7.8821 122.2627 54.9926 18.5251 179.3625 46 F 4.8421 7.9293 115.3698 60.9364 39.2099 177.0647 47 D 4.6374 8.5056 118.7813 57.4069 40.6446 179.3295 48 E 4.2932 8.0008 117.9173 56.6518 29.7755 178.2892 *50 E 4.1853 8.1826 118.6250 55.9143 31.6636 178.3276 51 R 3.8649 8.3255 117.7194 59.5180 30.1149 178.5268 52 R 4.0354 8.1390 117.9281 59.2450 30.0220 179.0875 53 L 3.8014 7.8265 118.1051 57.5208 41.6467 179.1668 54 A 3.8904 8.0298 120.8358 55.0088 18.0177 179.4930 55 L 3.9756 7.3554 116.5703 57.0026 41.5695 178.6027 56 V 4.0819 7.0853 109.7612 60.8122 32.1002 175.9129 57 G 3.7721 8.0149 106.4908 46.0913 0.0000 173.8991 58 L 4.5976 7.6142 118.4478 52.5891 44.6041 175.2679 59 T 4.6358 7.5833 109.0020 59.4550 71.9558 174.5757 60 L 3.9065 8.0964 119.6288 57.6102 41.5966 179.3457 61 D 4.3173 7.5019 117.9164 57.0415 40.9461 177.3891 62 A 4.2621 7.9940 120.2785 52.6037 19.1636 176.9760 63 V 4.2409 7.5547 117.1304 62.8293 32.0857 175.9238 64 V 4.2896 8.9309 120.5996 62.5278 33.8215 175.0606 65 Q 5.5890 7.5783 119.5831 55.7193 33.1971 172.3145 *67 D 4.8445 8.4833 118.9242 54.4234 42.6024 174.5567 68 C 4.8883 9.0343 121.5665 57.8985 30.8032 172.7141 69 L 5.0503 8.2878 124.5312 53.0834 43.4866 175.5364 70 F 5.4386 9.2530 123.2306 55.6533 41.6831 176.8890 71 R 4.0899 9.2027 122.8116 58.2283 31.0215 175.8603 72 D 4.9107 8.2938 117.9334 52.0682 42.8521 175.8524 73 V 3.1765 9.1175 128.1510 63.6706 31.5755 178.1889 74 W 4.2058 8.0267 119.2920 58.3762 29.0580 176.7860 75 N 4.6956 8.1596 116.2630 53.4132 37.7603 176.4472 76 I 3.5043 7.0623 123.0022 64.2726 37.5432 175.8767 77 P 4.4226 0.0000 0.0000 65.3779 30.8098 179.0742 78 V 3.5889 7.2875 113.3060 63.6423 31.0959 176.4666 *80 E 4.3439 8.3206 119.2831 55.9725 31.2658 178.0825 81 K 3.7403 7.9172 116.7309 58.0048 32.6828 177.8204 *83 I 4.3590 7.8316 119.2930 61.3240 38.8627 178.1101 84 K 4.2478 8.1862 118.5392 59.2486 31.8807 178.0001 85 E 4.3420 8.0939 114.1918 57.2460 30.0924 177.1166 86 R 4.4443 7.9392 116.8144 56.5850 32.3843 176.5329 87 F 4.1424 8.9378 115.6890 56.7152 39.5557 175.1358 88 N 3.8466 9.0530 117.9984 54.6932 36.8900 174.5827 89 G 3.5206 8.3929 101.9185 45.4718 0.0000 174.5410 90 R 4.1420 7.2866 118.7749 54.1437 30.5690 174.1344 91 Y 4.7707 7.5853 119.7303 55.3233 39.9242 174.3465 92 P 4.6957 0.0000 0.0000 62.1497 32.8909 175.7998 93 A 4.3709 8.5587 123.1187 52.4561 19.4041 176.8306 94 R 5.1030 8.2882 116.2470 54.9351 32.9442 174.0309 95 K 4.7971 8.5389 117.3092 55.4324 36.4245 174.9719 96 S 5.4971 8.7229 116.8326 57.0736 65.7120 173.6262 97 I 4.6928 8.9740 123.6237 59.6051 41.2542 173.9781 98 Q 5.0122 8.6514 127.1520 55.3548 30.3485 174.4353 99 T 4.5493 8.5970 119.7114 60.7154 71.2954 172.9482 100 E 4.1023 8.4768 125.4560 56.0907 30.3477 176.1920 101 F 4.9994 8.1369 118.2567 55.7449 42.4776 175.2660 102 A 4.4809 8.3860 124.4784 51.6360 18.0787 176.8671 103 H 5.0122 7.6404 119.2922 55.1418 33.6696 173.4665 104 H 4.3274 8.7192 119.5497 56.0366 29.4707 174.8921 105 G 4.2000 8.6248 109.5177 46.8518 0.0000 172.8829 106 G 4.0007 8.7154 109.8296 44.4286 0.0000 170.1292 107 P 4.4456 0.0000 0.0000 64.4685 31.6399 175.8395 108 Q 4.0957 8.3750 119.9942 55.9832 26.3374 173.9632 109 G 3.8207 7.8873 106.3459 44.2281 0.0000 173.9649 110 L 4.0821 7.9902 121.8627 54.7436 42.6260 176.5038 111 L 5.0593 8.9553 123.5367 54.4621 44.5766 175.9440 112 F 5.2313 7.6034 118.8356 57.3144 42.3104 173.0161 113 Q 4.6348 8.2685 124.1770 53.9237 33.2915 174.4403 114 V 4.7886 8.2534 120.1464 60.0686 35.1363 174.1077 115 D 5.5199 8.7424 121.7625 52.1144 43.0950 173.7305 116 G 4.0781 7.3675 103.5524 46.5982 0.0000 171.9786 117 V 4.9124 8.3794 118.8077 60.9893 34.7860 174.6206 118 A 5.3412 9.2245 128.7146 50.3477 22.7247 174.0982 119 Y 4.9412 8.9496 119.9122 56.0293 41.9704 175.0313 120 S 4.0238 8.3391 121.0254 56.7239 66.0646 173.1062 121 K 4.2048 8.0742 129.4181 56.5099 32.5194 176.1884 122 H 4.3765 9.1362 123.0621 56.0958 28.6621 175.1070 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 3 T 8.17 4.27 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 1.20 0.00 0.00 4 I 8.37 3.88 1.85 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 1.34 0.75 0.91 0.00 0.00 5 R 9.82 4.55 0.00 1.82 1.49 0.00 3.35 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 6 R 8.31 5.08 0.00 1.59 1.81 0.00 3.12 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 7 Y 9.06 4.70 0.00 2.91 2.82 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 8 D 8.64 4.29 0.00 2.97 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 9 V 7.71 4.00 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 0.94 0.00 0.00 10 N 9.01 4.82 0.00 2.64 2.33 0.00 0.00 7.05 7.21 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 11 E 8.60 4.09 0.00 2.03 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 2.39 2.26 0.00 12 D 8.23 4.21 0.00 2.82 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 13 R 8.19 4.17 0.00 1.54 2.00 0.00 3.57 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 14 G 7.49 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 15 H 8.03 5.11 0.00 3.22 3.43 0.00 5.41 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.43 4.78 4.30 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 1.36 0.00 0.00 17 G 9.01 3.84 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 0.00 0.00 0.00 18 L 8.42 5.23 0.00 1.81 1.59 1.04 0.77 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 19 V 9.07 4.80 2.26 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 0.90 0.00 0.00 1.01 0.00 0.00 20 E 9.74 4.67 0.00 2.33 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 2.10 1.53 0.00 21 A 9.00 4.68 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 22 G 8.72 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 23 D 8.78 4.71 0.00 2.69 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 0.00 0.00 0.00 0.00 24 F 8.04 5.36 0.00 3.25 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 25 Y 9.00 5.21 0.00 2.78 2.82 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 26 Y 9.48 4.95 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.85 0.00 1.80 1.62 0.96 0.30 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 28 N 8.75 4.92 0.00 2.91 2.51 0.00 0.00 7.20 6.93 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 29 Y 8.53 4.47 0.00 2.92 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 30 C 9.87 5.14 0.00 2.85 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 31 V 8.48 4.72 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 0.69 0.00 0.00 0.81 0.00 0.00 32 G 8.76 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 33 N 8.31 4.01 0.00 2.98 2.97 0.00 0.00 6.82 7.68 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 34 V 7.61 3.81 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 0.61 0.00 0.00 0.92 0.00 0.00 35 G 8.99 4.03 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 0.00 0.00 0.00 36 Q 7.28 4.70 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 37 D 8.22 4.61 0.00 2.96 2.82 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 38 I 8.33 3.63 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.21 0.94 0.00 0.00 39 E 8.13 3.87 0.00 2.06 1.92 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 2.37 2.39 0.00 40 S 8.54 4.15 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.35 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 42 I 7.57 2.80 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.44 0.00 0.00 43 N 8.10 4.51 0.00 2.90 2.90 0.00 0.00 6.98 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 44 G 8.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 4.06 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 46 F 7.93 4.84 0.00 3.24 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 47 D 8.51 4.64 0.00 2.90 2.75 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 48 E 8.00 4.29 0.00 2.08 2.07 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 2.30 2.34 0.00 *50 E 8.18 4.19 0.00 2.25 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 2.17 2.40 0.00 51 R 8.33 3.86 0.00 1.87 2.11 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 R 8.14 4.04 0.00 1.88 1.94 0.00 3.28 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 53 L 7.83 3.80 0.00 1.70 1.57 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.03 3.89 1.32 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 55 L 7.36 3.98 0.00 1.51 1.56 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.09 4.08 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 0.06 0.00 0.00 0.37 0.00 0.00 57 G 8.01 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 58 L 7.61 4.60 0.00 1.41 1.31 0.01 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.58 4.64 4.11 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 0.00 0.00 0.00 1.11 0.00 0.00 60 L 8.10 3.91 0.00 1.19 0.84 0.02 0.78 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 61 D 7.50 4.32 0.00 2.56 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 62 A 7.99 4.26 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 63 V 7.55 4.24 2.40 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 0.97 0.00 0.00 1.02 0.00 0.00 64 V 8.93 4.29 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 0.71 0.00 0.00 1.10 0.00 0.00 65 Q 7.58 5.59 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.52 2.21 0.00 *67 D 8.48 4.84 0.00 2.99 2.65 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 0.00 0.00 0.00 0.00 68 C 9.03 4.89 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 69 L 8.29 5.05 0.00 1.59 1.72 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.25 5.44 0.00 2.94 3.16 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 71 R 9.20 4.09 0.00 2.15 2.16 0.00 3.17 0.00 0.00 3.10 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 72 D 8.29 4.91 0.00 2.77 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 73 V 9.12 3.18 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 0.39 0.00 0.00 0.65 0.00 0.00 74 W 8.03 4.21 0.00 3.43 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 75 N 8.16 4.70 0.00 2.95 2.95 0.00 0.00 6.89 6.70 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 76 I 7.06 3.50 1.64 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 -0.16 0.85 0.00 0.00 77 P 0.00 4.42 0.00 2.17 2.12 0.00 3.67 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 2.16 2.16 0.00 78 V 7.29 3.59 2.24 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 0.75 0.00 0.00 0.95 0.00 0.00 *80 E 8.32 4.34 0.00 2.26 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 2.24 2.46 0.00 81 K 7.92 3.74 0.00 1.92 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 *83 I 7.83 4.36 1.93 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 1.05 0.72 0.53 0.00 0.00 84 K 8.19 4.25 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 85 E 8.09 4.34 0.00 2.13 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 0.00 2.36 2.33 0.00 86 R 7.94 4.44 0.00 1.82 1.81 0.00 3.30 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 87 F 8.94 4.14 0.00 3.47 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 88 N 9.05 3.85 0.00 2.77 2.79 0.00 0.00 7.06 7.98 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 89 G 8.39 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.29 4.14 0.00 1.83 1.82 0.00 3.07 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 91 Y 7.59 4.77 0.00 2.95 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 92 P 0.00 4.70 0.00 2.09 2.23 0.00 3.44 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 93 A 8.56 4.37 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 94 R 8.29 5.10 0.00 1.82 1.88 0.00 3.08 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 95 K 8.54 4.80 0.00 1.80 1.90 0.00 1.46 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.48 7.81 96 S 8.72 5.50 0.00 3.79 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 97 I 8.97 4.69 1.89 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 1.11 0.77 0.89 0.00 0.00 98 Q 8.65 5.01 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.62 0.00 99 T 8.60 4.55 4.09 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 0.00 0.00 0.73 0.00 0.00 100 E 8.48 4.10 0.00 1.89 1.79 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 2.23 2.22 0.00 101 F 8.14 5.00 0.00 3.01 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 0.00 102 A 8.39 4.48 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 0.00 103 H 7.64 5.01 0.00 3.11 3.12 0.00 5.94 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.72 4.33 0.00 3.31 3.39 0.00 5.69 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 0.00 105 G 8.62 4.20 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 0.00 0.00 0.00 106 G 8.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.08 2.06 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 108 Q 8.37 4.10 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 109 G 7.89 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 0.00 110 L 7.99 4.08 0.00 1.22 1.39 0.68 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.96 5.06 0.00 1.76 1.79 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.60 5.23 0.00 2.85 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 0.00 113 Q 8.27 4.63 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 1.87 1.43 0.00 114 V 8.25 4.79 1.89 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 0.95 0.00 0.00 1.13 0.00 0.00 115 D 8.74 5.52 0.00 2.94 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 0.00 116 G 7.37 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 0.00 0.00 0.00 117 V 8.38 4.91 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 0.87 0.00 0.00 0.89 0.00 0.00 118 A 9.22 5.34 1.20 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 0.00 0.00 119 Y 8.95 4.94 0.00 2.58 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 0.00 120 S 8.34 4.02 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.20 0.00 1.67 1.61 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.50 7.81 122 H 9.14 4.38 0.00 3.21 3.19 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.