NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5078 8.1476 118.3310 54.6823 33.6475 173.8695 2 V 3.5495 8.3372 120.3984 62.2240 32.1913 172.7905 3 K 4.8250 9.1552 127.2682 54.2510 34.8625 177.6128 4 I 3.9770 8.2110 126.1835 60.6568 37.4312 174.3559 5 R 5.1018 8.3215 127.2433 54.5922 32.8334 174.0467 6 L 5.2100 8.6156 117.3458 53.4787 44.3902 175.8956 7 A 4.6350 8.6506 123.9490 50.0474 21.8936 174.8977 8 R 4.0696 8.4732 123.3229 54.1672 31.0666 174.4080 9 F 5.1009 8.7790 126.6197 54.9016 41.4953 177.7907 10 G 3.6227 9.4263 117.3505 47.9771 0.0000 170.6303 11 S 4.8077 7.9633 117.5755 56.6443 66.4557 173.4930 12 K 4.0782 8.4445 120.7899 58.0279 32.5567 176.7837 13 H 4.0469 8.7564 117.9601 56.5818 27.2485 174.7379 14 N 5.0844 7.9254 116.0822 51.3637 38.9075 172.3056 15 P 4.2549 0.0000 0.0000 63.9229 32.7748 177.7655 16 H 4.5858 8.3718 120.3915 55.3173 32.0879 172.2703 17 Y 4.9329 9.0081 121.6510 57.0693 40.3286 174.8601 18 R 4.9634 9.1636 122.7738 54.5874 33.1481 174.8136 19 I 4.2258 9.7390 129.3931 61.2090 37.7626 175.2848 20 V 4.7265 8.3741 126.7093 59.4563 35.1544 175.2902 21 V 4.1246 8.4157 123.3906 60.7505 32.7090 174.7082 22 T 4.7669 8.2318 119.3050 59.5510 71.3497 172.7183 23 D 4.5448 8.6565 124.3586 53.8819 42.0939 176.1734 24 A 4.1030 8.2073 127.2905 55.6216 18.4916 179.8569 25 R 4.3089 9.4410 111.9261 57.0305 29.6281 177.0549 26 R 4.3881 7.4170 119.0117 55.0326 32.0702 175.6221 27 K 4.5389 8.0841 116.8918 55.2836 34.7292 177.1145 28 R 3.8966 8.6934 120.2953 59.4784 29.7067 177.7431 29 D 5.0186 7.9527 115.0162 53.9445 41.7556 176.8271 30 G 3.9821 7.6020 110.6411 44.2946 0.0000 173.8146 31 K 3.8874 8.5801 120.8425 56.5381 32.6521 176.3990 32 Y 4.9270 7.9924 123.4752 54.8706 40.1169 175.8781 33 I 3.8175 8.6614 124.2467 62.5668 37.6005 175.8065 34 E 5.5912 6.9998 127.1840 55.6848 33.2465 175.8522 35 K 4.1064 8.1791 127.9505 56.2717 33.1847 176.5670 36 I 4.6257 9.2818 117.3578 59.1535 38.6933 174.5303 37 G 4.5352 7.0503 111.5860 46.8132 0.0000 171.1270 38 Y 5.4522 7.1361 117.8245 55.4787 42.4144 173.8323 39 Y 5.0607 9.3956 120.9335 56.7309 42.8894 173.0492 40 D 4.4989 9.5089 128.5591 51.5387 41.3320 174.5447 41 P 4.2103 0.0000 0.0000 64.3922 31.1736 177.6344 42 R 4.2086 8.3019 115.7541 55.2735 30.6182 176.4401 43 K 4.0036 7.8782 117.9769 57.6602 29.8671 174.4338 44 T 4.4636 8.0391 102.4156 61.4438 69.9093 175.3012 45 T 4.2180 7.8187 115.4132 62.0579 69.9032 170.1045 46 P 4.4677 0.0000 0.0000 65.8831 31.3021 176.5647 47 D 4.8672 7.8925 119.3923 52.6239 39.4661 175.6597 48 W 4.7090 8.2625 116.0694 56.1643 30.1576 176.3616 49 L 4.6344 6.8878 117.6598 54.6509 43.8338 173.0262 50 K 4.5051 7.5146 127.2478 54.8544 36.1837 174.9835 51 V 4.2023 7.6948 120.6317 61.9210 34.3762 173.2265 52 D 4.5325 8.4474 127.0893 52.8126 40.0386 177.0258 53 V 3.5352 8.4490 119.0962 65.7655 31.5383 177.6826 54 E 3.5049 8.0613 114.0690 59.9872 29.4783 179.6964 55 R 3.8098 8.3755 116.3642 59.7168 30.6442 179.1203 56 A 4.1211 7.9031 119.7421 55.5557 18.2546 179.9997 57 R 3.6954 8.0440 116.2716 59.6988 30.0141 178.0377 58 Y 3.9630 7.3499 117.7244 60.8807 38.9351 177.8793 59 W 4.9268 8.4442 119.1941 60.3418 29.2353 178.5243 60 L 4.1499 8.0631 118.6684 57.6611 40.7339 179.0299 61 S 4.6708 7.8777 112.3169 58.3621 63.3906 175.6800 62 V 4.2521 7.7461 111.7454 63.0967 33.8472 175.1750 63 G 3.9948 8.0933 107.6926 45.1226 0.0000 173.8898 64 A 4.3045 7.8660 121.0639 51.8324 19.0344 178.6205 65 Q 4.6150 8.6752 122.3238 52.7429 29.7766 172.9493 66 P 5.2944 0.0000 0.0000 62.2982 32.4752 176.7286 67 T 4.1261 8.4115 118.4667 63.3431 69.4380 175.1308 68 D 4.2726 8.5120 121.9684 58.0496 40.0186 178.8099 69 T 3.9646 7.7337 111.5519 63.6027 67.3168 175.7890 70 A 3.7584 7.5367 122.4111 55.5248 18.8554 178.8645 71 R 3.9200 8.4493 117.3418 60.1077 30.1772 178.4967 72 R 3.7585 7.7681 118.1595 59.6922 29.8597 178.1106 73 L 3.9450 7.0463 117.5862 57.3548 41.9948 178.9225 74 L 4.0901 8.0388 119.2592 57.8633 41.5165 179.3904 75 R 4.2544 9.0315 119.1089 59.6887 29.9516 178.2171 76 Q 3.5218 7.7834 117.7130 58.8620 29.0256 178.5977 77 A 4.2028 7.4557 120.5069 55.6726 19.3461 177.4104 78 G 3.8010 8.5153 106.5294 45.5349 0.0000 176.0821 79 V 3.2734 7.8938 122.1690 65.2325 31.6694 177.1178 80 F 4.4216 8.0942 116.8483 58.9596 39.5766 176.3743 81 R 3.8826 7.1269 118.8519 57.2702 29.9992 175.6867 82 Q 4.3447 8.4592 120.8782 56.3047 28.7700 179.7675 83 E 3.0838 7.6866 113.3486 58.6411 31.0649 175.2854 *84 A 4.1104 7.5931 128.8250 52.5039 18.9361 176.2568 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 M 8.15 4.51 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 2 V 8.34 3.55 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 0.66 0.00 0.00 0.56 0.00 0.00 3 K 9.16 4.82 0.00 1.71 1.71 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.41 7.81 4 I 8.21 3.98 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.87 0.00 0.00 5 R 8.32 5.10 0.00 1.85 2.01 0.00 2.73 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 6 L 8.62 5.21 0.00 1.49 1.77 0.84 0.20 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 7 A 8.65 4.63 1.03 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 8 R 8.47 4.07 0.00 1.51 1.63 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.00 9 F 8.78 5.10 0.00 3.02 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 0.00 0.00 0.00 0.00 10 G 9.43 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 11 S 7.96 4.81 0.00 3.87 3.78 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 12 K 8.44 4.08 0.00 1.77 1.67 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.37 7.81 13 H 8.76 4.05 0.00 3.30 3.31 0.00 5.70 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 14 N 7.93 5.08 0.00 2.78 2.73 0.00 0.00 7.18 7.77 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 15 P 0.00 4.25 0.00 2.09 2.06 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 16 H 8.37 4.59 0.00 3.18 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.01 4.93 0.00 3.23 2.97 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 18 R 9.16 4.96 0.00 1.92 1.76 0.00 3.91 0.00 0.00 3.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 19 I 9.74 4.23 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.86 0.00 0.00 20 V 8.37 4.73 1.58 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 0.79 0.00 0.00 0.52 0.00 0.00 21 V 8.42 4.12 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.15 0.00 0.00 22 T 8.23 4.77 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 1.24 0.00 0.00 23 D 8.66 4.54 0.00 2.65 2.54 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 24 A 8.21 4.10 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 25 R 9.44 4.31 0.00 1.73 1.97 0.00 3.16 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 26 R 7.42 4.39 0.00 1.84 1.92 0.00 3.43 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 27 K 8.08 4.54 0.00 1.94 1.93 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.44 7.81 28 R 8.69 3.90 0.00 1.80 2.04 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 29 D 7.95 5.02 0.00 2.74 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 30 G 7.60 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 0.00 0.00 0.00 31 K 8.58 3.89 0.00 1.70 1.74 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 32 Y 7.99 4.93 0.00 2.89 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 33 I 8.66 3.82 1.91 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 1.29 0.67 0.89 0.00 0.00 34 E 7.00 5.59 0.00 2.30 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 2.13 2.09 0.00 35 K 8.18 4.11 0.00 1.44 1.65 0.00 1.98 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.43 7.81 36 I 9.28 4.63 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 1.13 0.00 0.00 37 G 7.05 4.54 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 0.00 38 Y 7.14 5.45 0.00 3.07 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 39 Y 9.40 5.06 0.00 3.02 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 40 D 9.51 4.50 0.00 2.69 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 41 P 0.00 4.21 0.00 2.28 2.30 0.00 3.37 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.28 0.00 42 R 8.30 4.21 0.00 1.87 1.97 0.00 3.29 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 43 K 7.88 4.00 0.00 1.44 1.31 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.51 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.88 7.81 44 T 8.04 4.46 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 1.23 0.00 0.00 45 T 7.82 4.22 4.29 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 1.35 0.00 0.00 46 P 0.00 4.47 0.00 2.30 2.29 0.00 3.86 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 2.08 2.09 0.00 47 D 7.89 4.87 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 48 W 8.26 4.71 0.00 3.72 3.43 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 49 L 6.89 4.63 0.00 1.26 0.48 0.97 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.51 4.51 0.00 1.36 0.74 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.57 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.05 1.16 7.81 51 V 7.69 4.20 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 0.64 0.00 0.00 0.79 0.00 0.00 52 D 8.45 4.53 0.00 2.72 2.52 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 53 V 8.45 3.54 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 54 E 8.06 3.50 0.00 2.20 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 2.37 2.36 0.00 55 R 8.38 3.81 0.00 1.88 1.94 0.00 3.06 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 56 A 7.90 4.12 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 57 R 8.04 3.70 0.00 2.06 1.93 0.00 3.11 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 58 Y 7.35 3.96 0.00 2.76 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 59 W 8.44 4.93 0.00 3.61 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 60 L 8.06 4.15 0.00 1.83 1.72 0.75 0.98 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 61 S 7.88 4.67 0.00 3.90 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 62 V 7.75 4.25 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 0.18 0.00 0.00 1.11 0.00 0.00 63 G 8.09 3.99 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 0.00 0.00 0.00 64 A 7.87 4.30 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 65 Q 8.68 4.62 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 66 P 0.00 5.29 0.00 2.12 2.11 0.00 3.46 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 67 T 8.41 4.13 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 1.18 0.00 0.00 68 D 8.51 4.27 0.00 2.65 2.67 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 69 T 7.73 3.96 4.17 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 0.00 0.00 0.00 1.13 0.00 0.00 70 A 7.54 3.76 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 71 R 8.45 3.92 0.00 1.86 2.08 0.00 2.97 0.00 0.00 2.63 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 72 R 7.77 3.76 0.00 1.87 2.01 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 73 L 7.05 3.95 0.00 1.79 1.46 -0.20 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.04 4.09 0.00 1.97 1.89 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.03 4.25 0.00 1.89 2.11 0.00 3.11 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 76 Q 7.78 3.52 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 77 A 7.46 4.20 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 78 G 8.52 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 79 V 7.89 3.27 1.70 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 0.37 0.00 0.00 0.81 0.00 0.00 80 F 8.09 4.42 0.00 3.04 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 81 R 7.13 3.88 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 82 Q 8.46 4.34 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 5.95 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 83 E 7.69 3.08 0.00 2.06 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 0.00 2.26 2.24 0.00 *84 A 7.59 4.11 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 * Residues marked with a * may have inaccurate shift predictions.