NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1852 8.1701 110.9450 62.3771 70.2870 172.5534 4 A 3.8788 8.7556 128.0296 52.8913 17.2745 177.2832 5 Y 4.1741 8.5507 113.6697 60.0959 39.7806 176.1160 6 D 4.4666 8.3411 117.8674 56.9233 40.9472 177.8225 7 V 3.7188 7.4817 119.6405 66.2637 31.6132 175.6198 8 I 3.9768 7.5914 121.4771 61.6482 37.3631 174.6523 9 L 4.6179 9.0859 126.2402 56.3710 43.1748 175.9119 10 A 4.7673 7.7623 117.9148 50.9411 22.4372 172.2625 11 P 5.5075 0.0000 0.0000 60.7946 33.8453 174.4489 12 V 3.4980 7.9011 106.4809 61.7510 31.4558 176.1208 13 L 4.0172 10.0207 120.3062 56.9799 39.0365 175.0061 14 S 4.2901 6.7042 111.2443 55.8069 67.9887 173.9849 15 E 3.9191 8.5241 124.2287 59.8921 29.0815 179.5406 16 K 3.7805 7.6842 117.5265 59.1136 32.3885 177.9545 17 A 3.7872 7.5463 120.6377 55.4570 17.5829 179.1163 18 Y 3.0746 7.8623 115.1101 60.8932 37.8988 178.4131 19 A 4.1232 7.4229 119.2275 54.2402 18.3952 178.9396 20 G 3.4765 7.2489 103.7149 46.3274 0.0000 175.8963 21 F 3.9641 8.5890 118.7989 59.2904 38.5362 175.7903 22 A 3.8470 6.7613 122.9963 55.1735 18.3553 179.3803 23 E 4.2918 7.8715 116.7419 54.7839 31.6236 178.3790 24 G 4.0948 8.3838 106.3639 46.8101 0.0000 174.2257 25 K 4.9943 7.6496 117.7894 54.7412 33.6034 175.3351 26 Y 4.3191 8.9556 121.7388 56.5983 40.3667 174.4705 27 T 4.7986 8.3715 117.8947 58.8168 69.2666 172.1170 28 F 5.2728 7.9372 122.5668 53.9220 41.9534 174.7143 29 W 4.3730 8.3992 120.4081 57.3733 29.8256 176.1949 30 V 4.8082 8.1840 118.0278 59.4289 34.9317 174.2638 31 H 4.5030 8.6976 121.8541 55.8271 30.0345 174.0077 32 P 4.0559 0.0000 0.0000 66.5171 31.1313 177.5642 33 K 4.1198 7.6186 114.3680 56.1363 31.5750 177.0924 34 A 5.1892 8.0811 122.2245 51.5112 19.5400 177.6799 35 T 4.6253 8.2396 115.8976 61.9441 70.4283 175.9216 36 K 4.3795 8.4916 121.9718 58.3398 32.4111 178.3366 37 T 4.1086 7.5263 117.2871 65.3580 69.8512 175.9064 38 E 3.9478 7.9866 120.6848 59.2402 29.4479 178.7224 39 I 3.7327 8.3769 119.7673 64.8152 37.5391 177.6486 40 K 3.7958 7.5625 118.8791 60.5863 31.6567 177.5578 41 N 4.2223 8.2892 115.0732 56.6329 38.4462 177.3128 42 A 4.0258 7.4841 119.0725 52.8724 19.4270 177.7466 43 V 4.3240 9.6768 119.3902 65.9572 33.8167 177.3315 44 E 5.0300 8.5023 114.0976 57.1311 29.1009 177.5402 45 T 4.8023 7.7529 109.3269 60.9303 68.9349 174.4310 46 A 4.5760 8.1406 121.2573 53.5728 22.4278 177.7802 47 F 4.5621 8.2142 110.0781 56.5819 43.1309 174.4484 48 K 4.2117 7.9852 118.5343 56.7591 29.3210 172.3220 49 V 4.5242 7.1131 112.3448 59.3226 36.1308 174.3477 50 K 4.8156 9.1430 121.8143 54.8936 34.3209 175.0143 51 V 4.4398 8.4439 127.8722 62.2314 31.6066 175.3393 52 V 4.1383 8.7939 128.7847 64.0229 32.7349 175.9393 53 K 4.6978 7.7853 120.1321 54.6567 36.0331 175.3223 54 V 4.7730 8.3256 125.2219 61.5560 34.2176 173.7946 55 N 5.0628 8.9494 125.8238 51.8973 41.0197 174.0655 56 T 5.1217 8.0914 116.3446 60.1619 71.3224 172.0400 57 L 4.4996 7.6936 122.5875 55.8166 43.4941 173.6754 58 H 4.7367 8.8913 117.8745 55.5781 31.0367 175.6636 59 V 4.2952 8.3212 119.0680 61.9245 33.5040 172.5994 60 R 4.8195 8.1760 127.8134 55.7250 30.5677 176.0351 61 G 4.2544 9.0268 114.2961 45.7277 0.0000 172.9857 62 K 4.1658 8.9092 125.7065 56.9626 33.2751 175.9647 63 K 4.6618 8.6130 124.1023 56.1618 33.8849 176.1831 64 K 4.7579 8.6505 122.9521 54.6068 36.6471 175.5118 65 R 4.6805 8.4002 121.6326 55.0511 32.5210 176.2438 66 L 4.2445 8.6900 122.6672 54.8510 43.7264 175.3837 67 G 3.9265 8.4526 118.7941 46.4191 0.0000 172.8293 68 R 4.1061 8.6314 121.9144 56.3718 29.6968 175.7265 69 Y 4.5544 7.9702 117.4263 56.4648 39.6030 174.2973 70 L 4.9845 8.5612 126.8764 53.2800 44.4681 175.8518 71 G 4.0962 8.5395 113.0458 44.8925 0.0000 171.0293 72 K 4.7582 8.2326 117.2482 54.9211 36.4206 176.4729 73 R 4.4261 8.9069 122.9694 54.7190 31.5313 174.5009 74 P 4.5790 0.0000 0.0000 63.3291 32.2255 175.4149 75 D 4.7913 8.6542 121.4724 54.4579 42.3319 175.7613 76 R 5.0220 8.4186 121.5453 54.5157 34.3403 175.1448 77 K 5.1775 8.6044 117.7978 55.0746 32.5498 175.6550 78 K 4.0844 8.1366 122.2731 56.8319 33.7467 177.0471 79 A 4.6850 8.2298 121.8954 51.0582 23.1362 175.5885 80 I 4.3462 8.5932 116.8186 59.7639 40.3665 175.2259 81 V 4.9137 8.9249 117.0106 59.7169 35.4492 174.2745 82 Q 5.5829 9.5384 127.5144 54.5178 30.5870 174.2114 83 V 4.8546 8.2237 125.8270 60.8442 33.2227 174.7126 84 A 4.0826 8.7418 129.0518 51.0077 19.6547 175.0806 85 P 4.1071 0.0000 0.0000 64.7586 30.6867 174.9893 86 G 4.2793 8.9472 119.2999 44.3351 0.0000 173.1308 87 Q 4.0117 7.0761 120.4614 54.7216 30.2390 177.5550 88 K 4.2880 7.8953 114.7960 56.3646 34.5931 174.6793 89 I 4.1336 7.2858 123.1807 60.3769 37.8237 176.9220 90 E 4.0189 8.9655 125.6133 59.1582 29.6387 178.8901 91 A 4.0760 8.1248 120.4922 54.4531 18.5577 177.6863 92 L 4.6711 7.5854 112.4334 54.7342 43.9005 178.3180 93 E 3.6185 8.0350 118.0528 59.0499 29.1803 178.5763 94 G 3.4043 7.2940 110.0868 48.4264 0.0000 174.2946 *95 L 4.1219 7.5984 124.9901 53.5970 41.6291 178.8521 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 4.19 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 A 8.76 3.88 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 5 Y 8.55 4.17 0.00 3.09 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 6 D 8.34 4.47 0.00 2.66 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 7 V 7.48 3.72 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 0.95 0.00 0.00 0.96 0.00 0.00 8 I 7.59 3.98 1.80 0.00 0.00 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 1.03 0.29 0.41 0.00 0.00 9 L 9.09 4.62 0.00 1.72 1.76 1.06 0.65 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 10 A 7.76 4.77 1.39 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 11 P 0.00 5.51 0.00 2.50 2.43 0.00 4.05 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 12 V 7.90 3.50 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 0.53 0.00 0.00 1.31 0.00 0.00 13 L 10.02 4.02 0.00 1.98 2.07 1.13 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 14 S 6.70 4.29 0.00 3.57 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 0.00 15 E 8.52 3.92 0.00 2.01 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 0.00 2.36 2.44 0.00 16 K 7.68 3.78 0.00 1.67 1.65 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.40 7.81 17 A 7.55 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.86 3.07 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 19 A 7.42 4.12 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 20 G 7.25 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 0.00 0.00 0.00 21 F 8.59 3.96 0.00 3.01 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 A 6.76 3.85 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 23 E 7.87 4.29 0.00 1.93 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 2.30 2.35 0.00 24 G 8.38 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 0.00 0.00 0.00 0.00 25 K 7.65 4.99 0.00 1.68 1.58 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.54 7.81 26 Y 8.96 4.32 0.00 2.63 2.47 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 0.00 27 T 8.37 4.80 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 0.88 0.00 0.00 28 F 7.94 5.27 0.00 3.30 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 29 W 8.40 4.37 0.00 3.47 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 30 V 8.18 4.81 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 0.81 0.00 0.00 1.04 0.00 0.00 31 H 8.70 4.50 0.00 3.34 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.06 0.00 2.13 2.12 0.00 3.77 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 1.73 1.98 0.00 33 K 7.62 4.12 0.00 1.75 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.38 7.81 34 A 8.08 5.19 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 35 T 8.24 4.63 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 1.28 0.00 0.00 36 K 8.49 4.38 0.00 1.99 2.05 0.00 1.47 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 37 T 7.53 4.11 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 E 7.99 3.95 0.00 2.22 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 2.38 2.41 0.00 39 I 8.38 3.73 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.95 0.97 0.00 0.00 40 K 7.56 3.80 0.00 1.83 2.00 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 41 N 8.29 4.22 0.00 2.79 2.80 0.00 0.00 7.03 7.20 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 42 A 7.48 4.03 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 43 V 9.68 4.32 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 1.00 0.00 0.00 1.05 0.00 0.00 44 E 8.50 5.03 0.00 2.49 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 2.41 2.21 0.00 45 T 7.75 4.80 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 1.22 0.00 0.00 46 A 8.14 4.58 1.21 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 0.00 0.00 47 F 8.21 4.56 0.00 2.92 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 48 K 7.99 4.21 0.00 1.83 1.81 0.00 1.74 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 V 7.11 4.52 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 0.84 0.00 0.00 0.91 0.00 0.00 50 K 9.14 4.82 0.00 1.77 1.70 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.34 7.81 51 V 8.44 4.44 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 0.98 0.00 0.00 52 V 8.79 4.14 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 0.78 0.00 0.00 0.94 0.00 0.00 53 K 7.79 4.70 0.00 1.86 1.55 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.48 7.81 54 V 8.33 4.77 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 0.95 0.00 0.00 0.94 0.00 0.00 55 N 8.95 5.06 0.00 2.67 2.65 0.00 0.00 5.96 6.44 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 56 T 8.09 5.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 57 L 7.69 4.50 0.00 1.63 1.58 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.89 4.74 0.00 3.04 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.32 4.30 2.42 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 1.06 0.00 0.00 1.10 0.00 0.00 60 R 8.18 4.82 0.00 1.90 1.89 0.00 3.14 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 61 G 9.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.17 0.00 1.72 1.78 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.48 7.81 63 K 8.61 4.66 0.00 1.95 1.82 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 64 K 8.65 4.76 0.00 1.63 1.69 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.35 7.81 65 R 8.40 4.68 0.00 1.76 1.81 0.00 3.41 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 66 L 8.69 4.24 0.00 1.73 1.56 0.93 1.26 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 67 G 8.45 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 68 R 8.63 4.11 0.00 1.65 1.87 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.11 0.00 69 Y 7.97 4.55 0.00 3.28 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 70 L 8.56 4.98 0.00 1.59 1.55 0.92 1.03 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 71 G 8.54 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.23 4.76 0.00 1.59 1.66 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.47 7.81 73 R 8.91 4.43 0.00 1.86 1.79 0.00 3.12 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 74 P 0.00 4.58 0.00 2.03 2.03 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 75 D 8.65 4.79 0.00 2.72 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 76 R 8.42 5.02 0.00 1.93 1.99 0.00 2.98 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.45 0.00 77 K 8.60 5.18 0.00 1.73 1.67 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.56 7.81 78 K 8.14 4.08 0.00 1.04 0.74 0.00 1.01 0.00 0.00 1.52 0.00 0.00 2.43 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.15 1.13 7.81 79 A 8.23 4.68 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 80 I 8.59 4.35 1.74 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 1.32 0.72 0.76 0.00 0.00 81 V 8.92 4.91 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 0.73 0.00 0.00 0.97 0.00 0.00 82 Q 9.54 5.58 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 83 V 8.22 4.85 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 0.86 0.00 0.00 0.92 0.00 0.00 84 A 8.74 4.08 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 85 P 0.00 4.11 0.00 2.19 2.14 0.00 3.74 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 2.01 2.01 0.00 86 G 8.95 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 0.00 0.00 0.00 0.00 87 Q 7.08 4.01 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 88 K 7.90 4.29 0.00 2.01 1.85 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.56 7.81 89 I 7.29 4.13 1.38 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 1.18 0.00 0.00 90 E 8.97 4.02 0.00 2.02 2.00 0.00 0.00 0.00 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 2.26 0.00 91 A 8.12 4.08 1.52 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 92 L 7.59 4.67 0.00 1.67 1.28 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.03 3.62 0.00 1.98 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 2.53 2.43 0.00 94 G 7.29 3.40 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 0.00 *95 L 7.60 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.