NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3332 8.2644 123.5808 52.3230 19.7670 176.1924 2 S 4.2218 8.5488 111.6911 56.6412 63.4799 172.3220 3 A 4.1807 7.7204 131.6904 50.5810 17.3186 176.7896 4 A 4.7913 6.6218 125.2269 51.9345 21.6178 176.8074 5 K 4.4486 7.3905 120.9966 57.2417 32.0993 177.0371 6 G 3.9902 9.0963 127.0700 47.5545 0.0000 176.0939 7 D 4.0381 7.5578 119.2603 57.0893 43.0378 179.0564 8 H 3.9458 7.8739 113.8020 57.4561 27.3226 175.7995 9 G 3.6399 10.0779 108.6038 47.7196 0.0000 174.6471 10 G 3.9411 7.1686 106.9267 42.8232 0.0000 172.4474 *12 G 3.8200 8.1041 104.7825 43.9226 0.0000 173.2806 13 A 4.1600 8.5345 120.8564 55.4321 18.0521 179.6570 14 R 3.8936 8.1014 116.3336 60.0433 30.1551 178.5954 15 T 3.8955 7.9253 114.7904 66.6336 68.5163 176.5714 16 W 4.0732 8.0976 120.5142 59.5145 28.9912 178.7150 17 R 3.8426 8.5756 119.2935 59.2296 29.5561 178.0666 18 F 4.3622 8.5269 120.7479 61.7608 39.2159 177.2411 19 L 4.0247 8.1546 118.3203 57.7433 41.2667 179.6180 20 T 3.7703 7.8808 115.8127 66.7473 68.1996 176.5507 21 F 4.7456 8.0715 117.8373 59.4189 39.2685 177.5852 22 G 4.0849 8.6960 104.0955 45.2289 0.0000 173.8623 23 L 4.5031 7.6380 119.8431 56.1797 44.7505 178.0907 24 A 3.9426 8.3822 120.3339 55.2089 18.3866 179.5889 25 L 3.9604 8.2872 117.6542 57.5834 41.7111 177.9327 26 P 4.2974 0.0000 0.0000 65.8800 31.2235 178.7056 27 S 4.0971 8.1455 113.8966 61.5189 62.7017 176.9827 28 V 3.5259 7.7122 120.5399 65.8800 31.2456 177.9068 29 A 3.9954 8.1103 120.5357 55.2041 18.1329 179.6489 30 L 3.9120 8.1529 117.5894 58.2116 41.4263 179.5868 31 C 4.0987 8.1101 116.4490 62.5754 27.8869 176.4211 32 T 3.5267 7.6247 117.8107 66.2746 67.8147 176.1844 33 L 3.9102 7.7361 121.0022 58.4515 42.3170 178.0961 34 N 4.1818 8.2786 116.8896 56.7406 38.6710 176.7823 35 S 4.1319 7.4321 115.7512 60.1061 63.8362 175.4550 36 W 5.2062 7.9345 120.9611 55.6442 28.6756 175.5034 37 L 4.7603 7.6723 120.8337 56.9468 49.2480 175.5805 38 H 4.5041 7.9560 113.9754 57.5500 28.9524 176.1044 39 S 4.4080 7.7191 113.9551 58.0816 63.6021 172.1768 40 G 3.9268 8.7346 110.2933 46.1548 0.0000 173.1564 41 H 4.3462 8.4312 121.0615 55.6592 29.2049 175.5675 42 R 3.8987 8.5841 124.0600 55.7390 30.2904 175.3666 43 E 3.8876 8.8855 124.1309 56.0471 29.2255 176.2932 44 R 3.9345 8.5012 122.5432 56.1392 29.6181 174.7922 45 P 4.6097 0.0000 0.0000 61.5949 32.6746 175.7851 46 A 4.2867 8.3336 122.2928 52.1061 18.9393 177.1778 47 F 4.5366 8.9628 123.2884 57.8590 40.2535 174.9117 48 I 3.9308 7.4984 128.2417 58.5901 39.9081 174.5538 49 P 4.0865 0.0000 0.0000 61.4550 30.4147 176.3946 50 Y 4.2270 7.5879 116.2898 60.2385 38.7085 178.3246 51 H 4.4263 8.9787 120.3518 57.9783 29.3307 175.8624 52 H 4.6667 8.4174 112.8208 55.6817 28.7783 174.3479 53 L 4.7631 7.0812 118.4394 53.3999 45.2661 175.6989 54 R 3.8719 8.5771 115.5777 57.4258 27.4874 177.4054 55 I 3.9071 7.6481 116.9455 61.5250 37.9601 177.2567 56 R 4.3017 8.1845 123.2105 54.7452 31.1804 174.4654 57 T 4.3259 8.0090 111.8617 61.6466 70.2618 175.3522 58 K 4.4557 7.2303 121.5924 53.9937 35.1371 173.4101 59 P 4.2528 0.0000 0.0000 62.2192 32.2386 176.2791 60 F 3.9967 7.9676 118.7279 57.7282 39.1652 175.5659 61 S 4.4379 7.9752 117.6581 58.1821 63.1281 173.9844 62 W 5.2302 7.0427 116.1964 55.6439 31.7148 175.3131 63 G 3.7370 8.5210 107.4655 47.3641 0.0000 174.3604 64 D 4.5704 8.8879 124.6883 53.0049 39.8400 177.7191 65 G 4.3091 8.4963 109.4192 45.6120 0.0000 174.1943 66 N 5.0558 8.4499 115.4334 53.0661 40.1651 173.2265 67 H 4.8117 8.0206 114.1239 54.4908 31.2857 173.9845 68 T 3.6411 8.2307 114.0217 60.8122 69.7235 175.1744 69 F 3.5313 8.6830 123.5626 60.2631 39.4527 175.6382 70 F 4.9097 7.5958 118.2986 56.3420 39.5123 175.2420 71 H 3.9589 7.8462 120.5830 56.8069 30.1688 173.4993 72 N 4.8407 8.4456 125.0667 51.0178 39.8528 172.6837 73 P 4.3903 0.0000 0.0000 65.6500 31.6738 178.1381 74 R 4.0387 8.2648 117.7212 58.4185 30.0277 177.2210 75 V 4.4780 7.7583 107.1020 60.4702 33.6214 174.7597 76 N 4.9040 8.4991 118.3810 50.3979 39.1882 172.8594 77 P 3.8661 0.0000 0.0000 62.0549 32.2014 176.4198 78 L 4.2947 7.8945 120.7988 53.3117 42.5791 176.2838 79 P 4.3664 0.0000 0.0000 65.8945 31.1337 177.6975 80 T 4.2094 7.5641 105.6634 61.1907 69.2664 173.0803 81 G 2.0000 6.8289 108.4094 43.6624 0.0000 172.9992 82 Y 4.2825 7.5276 115.9383 57.7762 38.3403 176.4958 83 E 4.2541 8.5356 122.2930 55.6687 30.5139 177.2792 84 K 4.0839 8.6437 119.3564 57.1466 32.0709 177.0109 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 A 8.26 4.33 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 2 S 8.55 4.22 0.00 3.84 3.79 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 0.00 0.00 0.00 3 A 7.72 4.18 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 4 A 6.62 4.79 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 5 K 7.39 4.45 0.00 1.58 0.80 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.30 7.81 6 G 9.10 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 7 D 7.56 4.04 0.00 2.65 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 8 H 7.87 3.95 0.00 3.20 3.40 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 10.08 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.17 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 G 8.10 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 13 A 8.53 4.16 1.40 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 14 R 8.10 3.89 0.00 1.93 1.99 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 15 T 7.93 3.90 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 0.81 0.00 0.00 16 W 8.10 4.07 0.00 3.51 3.30 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 17 R 8.58 3.84 0.00 1.98 2.24 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 18 F 8.53 4.36 0.00 3.12 3.17 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 19 L 8.15 4.02 0.00 1.81 1.61 -0.01 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.88 3.77 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 0.78 0.00 0.00 21 F 8.07 4.75 0.00 3.14 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 22 G 8.70 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 23 L 7.64 4.50 0.00 1.61 1.69 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.38 3.94 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 25 L 8.29 3.96 0.00 1.81 1.82 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.30 0.00 2.18 2.14 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 27 S 8.15 4.10 0.00 4.00 3.90 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 28 V 7.71 3.53 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 0.99 0.00 0.00 0.99 0.00 0.00 29 A 8.11 4.00 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 30 L 8.15 3.91 0.00 1.82 1.70 0.91 0.96 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 31 C 8.11 4.10 0.00 2.89 2.86 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 32 T 7.62 3.53 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 1.08 0.00 0.00 33 L 7.74 3.91 0.00 1.88 1.77 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.28 4.18 0.00 2.70 2.86 0.00 0.00 7.32 7.96 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 35 S 7.43 4.13 0.00 3.67 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 36 W 7.93 5.21 0.00 3.16 2.94 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 0.00 0.00 0.00 0.00 37 L 7.67 4.76 0.00 1.69 1.90 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.96 4.50 0.00 3.12 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.72 4.41 0.00 4.24 4.47 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 40 G 8.73 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 41 H 8.43 4.35 0.00 3.16 3.24 0.00 5.71 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 42 R 8.58 3.90 0.00 1.84 1.91 0.00 3.27 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 E 8.89 3.89 0.00 1.93 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 0.00 2.28 2.26 0.00 44 R 8.50 3.93 0.00 1.93 1.88 0.00 2.28 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 45 P 0.00 4.61 0.00 2.31 2.16 0.00 3.95 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 2.11 2.05 0.00 46 A 8.33 4.29 1.34 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 0.00 0.00 0.00 47 F 8.96 4.54 0.00 2.99 3.12 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 48 I 7.50 3.93 1.33 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 1.24 0.37 -0.13 0.00 0.00 49 P 0.00 4.09 0.00 2.02 2.00 0.00 3.33 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 50 Y 7.59 4.23 0.00 2.91 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 51 H 8.98 4.43 0.00 3.24 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.42 4.67 0.00 3.27 3.38 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.08 4.76 0.00 1.64 1.60 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.58 3.87 0.00 1.98 2.03 0.00 3.34 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 55 I 7.65 3.91 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.89 0.00 0.00 56 R 8.18 4.30 0.00 1.66 1.69 0.00 3.21 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 57 T 8.01 4.33 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 1.18 0.00 0.00 58 K 7.23 4.46 0.00 1.59 1.52 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.32 7.81 59 P 0.00 4.25 0.00 2.08 1.91 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 60 F 7.97 4.00 0.00 2.32 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 61 S 7.98 4.44 0.00 4.18 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 62 W 7.04 5.23 0.00 3.49 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 63 G 8.52 3.74 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 0.00 0.00 0.00 64 D 8.89 4.57 0.00 2.80 2.77 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 65 G 8.50 4.31 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 0.00 66 N 8.45 5.06 0.00 2.62 2.76 0.00 0.00 6.94 7.32 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 67 H 8.02 4.81 0.00 3.14 3.19 0.00 5.95 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.23 3.64 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 1.29 0.00 0.00 69 F 8.68 3.53 0.00 2.45 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 70 F 7.60 4.91 0.00 3.13 3.01 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 71 H 7.85 3.96 0.00 3.27 3.33 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.45 4.84 0.00 2.75 2.66 0.00 0.00 7.18 7.71 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 73 P 0.00 4.39 0.00 2.11 2.20 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 74 R 8.26 4.04 0.00 1.90 1.93 0.00 3.28 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 75 V 7.76 4.48 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 0.82 0.00 0.00 0.97 0.00 0.00 76 N 8.50 4.90 0.00 2.58 2.80 0.00 0.00 6.97 7.60 0.00 0.00 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 P 0.00 3.87 0.00 1.56 0.69 0.00 3.74 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 1.97 1.84 0.00 78 L 7.89 4.29 0.00 1.60 1.55 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.37 0.00 2.04 2.15 0.00 3.62 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 2.02 2.10 0.00 80 T 7.56 4.21 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 1.20 0.00 0.00 81 G 6.83 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.53 4.28 0.00 2.97 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 83 E 8.54 4.25 0.00 2.03 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 2.33 2.36 0.00 84 K 8.64 4.08 0.00 1.73 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.