NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3604 8.3044 120.3530 54.8764 33.3801 174.7609 1 V 3.3780 8.3177 124.8038 62.1681 31.9080 174.6339 2 D 4.6895 8.8796 127.6952 52.9602 42.0249 175.5489 3 F 3.9808 8.9168 128.7839 61.4100 39.4471 176.4514 4 A 3.8874 8.2716 119.4578 55.1042 18.2152 179.1644 5 F 4.1062 8.6158 118.9651 61.7058 39.4711 177.3148 6 E 3.5172 8.5603 118.4811 58.8357 29.0937 179.2420 7 L 3.5614 7.5643 120.7145 57.8625 42.1091 178.8749 8 R 3.6885 7.3813 118.2016 59.2773 29.9861 178.3541 9 K 3.6629 7.7112 119.2319 59.1863 32.0806 178.5360 10 A 4.0222 7.9896 121.4084 55.2460 18.0773 179.2408 11 Q 3.8117 7.7749 116.7547 59.4688 29.1360 177.9526 12 D 4.5309 7.9820 118.5679 55.8484 41.2425 177.7693 13 T 4.5874 7.9588 107.5246 61.6835 70.4768 174.8946 14 G 4.2146 8.3787 109.9442 45.6362 0.0000 174.5173 15 K 4.6395 9.4220 126.9417 55.1206 35.5749 174.7826 16 I 4.9772 8.3484 127.1633 59.5027 41.0965 175.0575 17 V 4.3891 8.3333 117.4069 59.8002 34.7669 174.5666 18 M 4.7855 8.7114 123.3262 54.7665 34.5330 176.4102 19 G 3.9940 9.3740 108.9368 45.1264 0.0000 174.6590 20 A 3.9971 8.6300 121.6883 54.8540 18.3650 180.0436 21 R 3.8162 7.9986 116.7159 59.8603 30.1412 178.8289 22 K 4.1297 7.9890 117.5710 59.3525 32.1349 179.4316 23 S 4.1522 8.2915 115.5908 61.7247 62.7448 176.7673 24 I 3.7568 8.3038 122.6338 64.4399 36.8577 178.0653 25 Q 3.8494 8.2038 120.3237 59.7288 28.8097 178.3554 26 Y 3.7997 8.5492 117.4918 60.6769 37.9391 178.2198 27 A 4.0342 8.3109 121.9916 55.0542 18.3186 179.5632 28 K 3.7716 8.0110 117.5769 59.5628 32.3517 178.2267 29 M 4.2514 7.9784 114.5664 55.1976 31.5355 176.5308 30 G 3.8283 7.8129 107.8758 46.9091 0.0000 174.5455 31 G 3.9535 8.5531 106.9537 44.7059 0.0000 174.1022 32 A 4.9220 7.8528 122.1187 50.5677 21.2037 176.6602 33 K 4.4953 8.8634 119.1129 57.1587 33.7069 176.8096 34 L 4.7392 7.6592 120.4760 53.9218 45.7713 173.6039 35 I 4.9891 8.8594 126.4312 59.6200 40.1620 174.4279 36 I 5.2372 8.8631 127.3529 59.6702 39.9934 174.9613 37 V 4.9598 8.6898 119.4989 59.1899 35.0350 175.4017 38 A 4.5638 9.0241 126.9039 51.7705 19.0801 178.5369 39 R 4.0567 8.7507 120.3616 58.2102 30.1888 177.4140 40 N 4.8244 7.9473 112.0287 52.0971 37.6393 174.3931 41 A 4.0150 7.6214 121.3931 52.8969 19.0816 178.9885 42 R 3.9404 8.6312 120.8308 56.2094 31.6509 175.4724 43 P 4.2648 0.0000 0.0000 66.1264 31.3733 178.6211 44 D 4.3779 8.0836 116.9286 56.2115 39.3342 178.5336 45 I 3.7232 7.7131 120.8912 64.2737 37.1805 178.0491 46 K 3.9380 8.1180 119.2637 59.8380 31.9176 179.2766 47 E 4.0032 8.4230 118.6644 59.2327 29.2762 179.0941 48 D 4.3058 8.4181 119.2327 57.4503 40.8887 178.6366 49 I 3.8625 7.9667 120.2405 64.7853 37.1738 178.2844 50 E 3.9937 8.5400 119.4237 59.5062 29.2590 178.8070 51 Y 4.0071 8.0277 119.4600 61.0630 39.0080 177.6498 52 Y 3.9023 8.0021 117.5251 60.8719 37.9077 178.6447 53 A 4.1212 8.4279 122.1301 55.1573 18.6481 179.6227 54 R 3.8387 8.0994 117.2645 59.5261 29.8771 178.6033 55 L 3.9790 7.5833 117.9437 57.2251 41.6978 178.7242 56 S 4.6708 7.5997 110.6613 57.3980 63.7280 174.5852 57 G 3.8156 7.6315 108.3486 46.2807 0.0000 173.1487 58 I 4.4002 7.9148 120.5413 59.2510 38.4071 176.0957 59 A 4.1965 8.7158 128.8494 52.1521 19.6384 176.0269 60 V 4.8357 8.4450 121.2409 61.1991 34.0896 173.9383 61 Y 4.7190 9.3045 129.2765 55.7445 41.5646 173.7496 62 E 4.7089 7.9334 127.6445 54.4389 30.9569 174.6591 63 F 4.1759 8.8048 131.4519 57.6012 39.8161 175.9136 64 E 3.9892 7.6472 127.2807 53.7384 27.5037 174.4833 65 G 3.3792 6.0369 109.8217 44.3161 0.0000 171.3020 66 T 4.6958 8.5617 111.3708 60.6795 71.1887 175.8519 67 S 4.5427 9.2476 118.2476 60.8781 62.6969 176.9514 68 V 3.5884 7.7944 121.4481 66.0874 31.3660 177.6074 69 E 4.0780 8.2140 118.1624 59.3551 29.4563 179.2350 70 L 3.7737 8.5675 120.6459 57.9555 42.1401 179.0184 71 G 3.9113 8.1324 107.0556 47.6396 0.0000 175.6637 72 T 3.8936 8.0767 118.3330 66.2935 68.2379 176.6941 73 L 4.0509 8.0056 120.0454 57.4709 41.6792 178.6215 74 L 4.5338 7.4405 115.7436 54.2887 41.7578 177.6980 75 G 3.9129 7.8696 107.1650 45.5219 0.0000 173.6774 76 R 4.5819 7.8205 118.8345 53.9572 31.5303 174.2964 77 P 4.6535 0.0000 0.0000 63.1598 31.4969 175.1554 78 H 5.0092 7.7249 115.0005 54.1893 32.7441 172.9275 79 T 4.1847 8.3598 110.8767 61.8821 69.2145 174.2177 80 V 4.3273 8.0879 121.9612 61.4650 33.8021 175.9655 81 S 4.5001 8.7638 123.7130 60.9290 64.2873 173.9379 82 A 5.2293 7.7742 118.9913 51.0535 22.3028 175.1209 83 L 5.0647 9.0118 119.2266 54.3444 44.8313 174.5092 84 A 5.0727 8.9843 121.6825 50.1072 22.2430 175.4678 85 V 3.9969 8.7686 123.4864 62.4612 32.0293 176.5470 86 V 3.8435 8.5394 128.9461 64.6798 32.4189 175.7419 87 D 4.9248 7.7261 120.0638 51.6420 43.8503 174.4588 88 P 4.3944 0.0000 0.0000 63.3012 32.7285 177.4045 89 G 3.7259 8.2694 108.3845 47.4094 0.0000 174.5862 90 E 4.3701 9.2059 125.4244 55.9591 29.5443 176.2535 91 S 4.5016 7.6284 114.5814 58.0487 64.3223 174.0286 92 R 4.4560 9.0711 118.2816 56.2137 30.1891 178.5238 93 I 3.5697 7.4885 121.0976 64.2547 37.6847 177.7885 94 L 4.0963 7.8606 118.5137 56.8805 41.2713 178.7539 95 A 4.0078 7.7025 120.3440 54.9469 18.3022 179.1788 96 L 4.1232 7.6052 116.2131 57.2565 41.6512 179.2224 97 G 3.7657 8.0176 104.9059 46.6658 0.0000 173.8400 *98 G 3.7476 7.9721 114.2583 45.8008 0.0000 172.6168 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 0 M 8.30 4.36 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 1 V 8.32 3.38 2.11 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 0.79 0.00 0.00 0.94 0.00 0.00 2 D 8.88 4.69 0.00 2.87 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 3 F 8.92 3.98 0.00 3.23 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.27 3.89 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 5 F 8.62 4.11 0.00 3.13 3.26 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 6 E 8.56 3.52 0.00 1.78 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 2.58 2.45 0.00 7 L 7.56 3.56 0.00 0.85 1.10 0.67 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.38 3.69 0.00 1.91 1.73 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 9 K 7.71 3.66 0.00 1.08 1.41 0.00 1.41 0.00 0.00 1.40 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.26 7.81 10 A 7.99 4.02 1.22 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 11 Q 7.77 3.81 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 12 D 7.98 4.53 0.00 2.68 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 13 T 7.96 4.59 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 1.15 0.00 0.00 14 G 8.38 4.21 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 0.00 15 K 9.42 4.64 0.00 1.75 1.57 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.38 7.81 16 I 8.35 4.98 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.86 0.00 0.00 17 V 8.33 4.39 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 0.22 0.00 0.00 0.37 0.00 0.00 18 M 8.71 4.79 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 19 G 9.37 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 20 A 8.63 4.00 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 21 R 8.00 3.82 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 22 K 7.99 4.13 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.56 7.81 23 S 8.29 4.15 0.00 4.06 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 24 I 8.30 3.76 2.11 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 1.58 0.93 0.88 0.00 0.00 25 Q 8.20 3.85 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 26 Y 8.55 3.80 0.00 3.09 3.02 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 0.00 0.00 0.00 0.00 27 A 8.31 4.03 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 28 K 8.01 3.77 0.00 1.36 1.75 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.33 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.26 0.90 7.81 29 M 7.98 4.25 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 30 G 7.81 3.83 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 0.00 0.00 0.00 31 G 8.55 3.95 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 0.00 0.00 0.00 32 A 7.85 4.92 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 33 K 8.86 4.50 0.00 1.69 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 34 L 7.66 4.74 0.00 1.74 1.45 1.04 1.00 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 35 I 8.86 4.99 1.95 0.00 0.00 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 1.29 0.83 1.04 0.00 0.00 36 I 8.86 5.24 2.01 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 1.62 0.88 1.25 0.00 0.00 37 V 8.69 4.96 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 0.77 0.00 0.00 1.00 0.00 0.00 38 A 9.02 4.56 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 39 R 8.75 4.06 0.00 1.88 1.91 0.00 3.01 0.00 0.00 3.04 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 40 N 7.95 4.82 0.00 2.85 2.85 0.00 0.00 5.95 7.26 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 41 A 7.62 4.01 1.43 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 0.00 0.00 42 R 8.63 3.94 0.00 1.90 1.85 0.00 3.22 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 43 P 0.00 4.26 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 44 D 8.08 4.38 0.00 2.87 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 45 I 7.71 3.72 2.06 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 1.67 0.89 0.96 0.00 0.00 46 K 8.12 3.94 0.00 1.99 2.04 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.52 7.81 47 E 8.42 4.00 0.00 2.06 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 2.33 2.54 0.00 48 D 8.42 4.31 0.00 2.86 2.98 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 49 I 7.97 3.86 2.16 0.00 0.00 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 1.63 0.91 0.99 0.00 0.00 50 E 8.54 3.99 0.00 2.22 2.03 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 2.36 2.48 0.00 51 Y 8.03 4.01 0.00 2.91 2.89 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 52 Y 8.00 3.90 0.00 3.09 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 53 A 8.43 4.12 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 54 R 8.10 3.84 0.00 2.01 2.02 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 55 L 7.58 3.98 0.00 1.71 1.63 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.60 4.67 0.00 3.88 3.88 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 57 G 7.63 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 58 I 7.91 4.40 1.90 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 1.33 0.65 0.95 0.00 0.00 59 A 8.72 4.20 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 60 V 8.44 4.84 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 0.87 0.00 0.00 0.98 0.00 0.00 61 Y 9.30 4.72 0.00 3.06 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 62 E 7.93 4.71 0.00 1.94 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 63 F 8.80 4.18 0.00 2.92 3.09 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 64 E 7.65 3.99 0.00 1.75 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 0.00 1.98 2.09 0.00 65 G 6.04 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.56 4.70 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 1.21 0.00 0.00 67 S 9.25 4.54 0.00 4.09 4.23 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 68 V 7.79 3.59 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 1.09 0.00 0.00 0.96 0.00 0.00 69 E 8.21 4.08 0.00 2.58 2.29 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 2.42 2.40 0.00 70 L 8.57 3.77 0.00 1.83 1.85 0.55 1.28 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 71 G 8.13 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 0.00 0.00 0.00 72 T 8.08 3.89 4.45 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 1.24 0.00 0.00 73 L 8.01 4.05 0.00 1.80 1.65 1.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.44 4.53 0.00 1.76 1.64 0.87 0.67 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 75 G 7.87 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 0.00 0.00 0.00 76 R 7.82 4.58 0.00 1.94 1.90 0.00 3.34 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 77 P 0.00 4.65 0.00 2.02 2.07 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 78 H 7.72 5.01 0.00 3.16 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.36 4.18 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 80 V 8.09 4.33 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 1.06 0.00 0.00 0.94 0.00 0.00 81 S 8.76 4.50 0.00 3.86 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 82 A 7.77 5.23 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 83 L 9.01 5.06 0.00 1.79 1.70 0.88 0.73 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 84 A 8.98 5.07 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 85 V 8.77 4.00 2.05 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 0.83 0.00 0.00 0.86 0.00 0.00 86 V 8.54 3.84 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 0.90 0.00 0.00 0.66 0.00 0.00 87 D 7.73 4.92 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.20 2.23 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 89 G 8.27 3.73 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 0.00 0.00 0.00 90 E 9.21 4.37 0.00 1.92 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 2.27 2.20 0.00 91 S 7.63 4.50 0.00 4.02 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 92 R 9.07 4.46 0.00 1.94 1.95 0.00 3.15 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 93 I 7.49 3.57 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.81 0.00 0.00 94 L 7.86 4.10 0.00 1.71 1.69 0.91 0.73 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 95 A 7.70 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.12 0.00 1.52 1.25 0.57 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.02 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 *98 G 7.97 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 * Residues marked with a * may have inaccurate shift predictions.