NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6286 8.2785 119.2027 53.7333 41.1048 176.3954 0 A 3.8246 7.8967 119.6908 54.5242 18.0309 177.6969 1 T 3.8242 8.1845 111.2329 64.7942 67.5900 174.1299 2 K 4.0292 7.8167 121.2784 59.1689 32.0995 178.3656 3 T 3.8162 7.8831 112.8587 65.2797 67.1650 175.9365 4 I 3.7842 7.6747 121.3838 64.3955 37.1739 177.5019 5 H 4.0497 7.8128 118.7841 59.7263 29.6415 176.9697 6 N 4.4154 8.5232 117.8737 56.2156 38.3223 177.3465 7 A 4.0588 7.7746 121.1072 55.1164 18.5448 179.9227 8 R 3.8826 8.1349 116.6860 59.3461 30.0706 178.7112 9 Y 3.8377 7.9366 119.5625 60.5633 38.8413 177.4223 10 Q 3.9277 8.3083 120.3271 59.0137 29.0790 178.1453 11 A 3.9462 8.0132 122.0201 54.7588 18.3101 179.1859 12 L 3.7705 7.5981 118.7494 58.4380 42.0250 179.2668 13 L 3.7940 7.5297 118.6392 57.8932 41.5683 179.3565 14 D 4.3239 8.0313 118.8287 57.2570 40.7141 178.7931 15 L 4.0345 8.0762 119.6358 57.7242 41.5294 179.5931 16 L 4.0729 8.1397 119.2561 57.6369 41.5376 179.2135 17 L 3.9815 8.2592 120.6908 58.1253 42.0131 178.6831 18 E 3.9127 8.2076 118.8912 59.2042 29.7059 178.6865 19 A 4.0256 7.9944 120.9594 54.9144 18.4007 179.6464 20 R 3.7878 8.2498 117.4442 59.7587 30.0595 178.8377 21 S 4.1580 8.0953 111.0547 60.9888 62.3585 175.5530 22 A 4.1310 7.8142 122.8340 54.7274 18.2189 178.9854 23 A 4.1586 7.7794 118.1588 52.6537 18.6408 177.8933 24 G 3.8066 7.9080 105.1083 46.7246 0.0000 173.4285 25 I 4.4817 7.6044 111.3807 58.5307 40.3201 175.6458 26 T 4.3369 7.9928 112.7396 60.8845 71.3198 175.7916 27 Q 4.0083 8.4498 119.4408 59.2155 28.6932 179.3429 28 K 3.9935 7.9968 118.9460 59.2324 32.1243 178.9778 29 E 3.9065 8.1524 119.7662 59.1048 29.6072 178.5666 30 L 3.8481 8.0316 120.2274 57.9894 42.1219 178.7556 31 A 4.0071 8.2735 120.6963 55.1684 18.2013 179.4716 32 A 3.9551 8.0499 119.2651 55.4023 18.2108 180.1279 33 R 3.8568 7.8174 115.6676 58.9536 30.1763 178.5788 34 L 4.2671 7.7724 117.2552 54.4363 41.9474 177.1962 35 G 3.8115 7.6052 106.6829 46.5720 0.0000 173.3466 36 R 4.6485 7.6233 116.6729 52.7439 34.0192 173.9126 37 P 4.4606 0.0000 0.0000 62.3782 32.1336 177.5761 38 Q 4.0631 8.8894 121.9973 59.6076 28.7129 179.0699 39 S 4.2888 8.2031 116.0303 60.7315 62.7339 176.2300 40 F 4.1284 8.3381 124.1647 61.2220 39.1563 177.3515 41 V 3.8540 7.9425 117.6363 66.0519 31.3595 178.0268 42 S 4.1787 8.3791 114.2622 61.4875 62.8779 176.6434 43 K 3.9756 8.4191 122.5142 59.1225 31.8400 179.5196 44 T 3.8196 7.7154 116.1276 66.8199 68.1644 176.6216 45 E 4.0392 7.9713 118.6683 58.7627 29.5713 178.1398 46 N 4.6131 8.0480 113.9366 52.3836 38.8884 174.9710 47 A 3.8076 7.4783 121.7171 53.3822 16.5946 178.2697 48 E 4.4331 8.3784 117.4939 57.8670 30.2242 176.5141 49 R 4.4530 7.4088 118.9833 54.3605 32.8968 174.0228 50 R 4.0548 8.4427 125.9104 55.6022 30.8330 175.5757 51 L 4.3712 8.7907 126.6619 54.4730 42.3725 177.5118 52 D 4.7879 9.2334 124.6882 52.3297 41.8485 177.9467 53 V 3.7196 8.2116 119.4681 65.0013 31.3411 178.1078 54 I 3.9184 7.7939 119.0299 64.3180 37.3137 177.7214 55 E 4.3149 9.1876 119.7778 59.2890 29.2004 179.5262 56 F 4.3682 8.7208 117.1221 59.7106 39.0862 176.7272 58 D 3.9594 8.0693 114.8881 56.1702 41.2660 176.3698 59 F 3.9852 8.4786 124.4477 61.4529 39.2804 176.9259 60 C 4.0217 7.9555 116.1243 63.0755 27.7500 176.4470 61 R 4.1178 7.8578 117.6747 59.1278 29.6945 178.9749 62 G 3.6146 8.1393 105.4067 47.6802 0.0000 175.6216 63 I 3.9023 7.4987 121.3432 61.9740 37.1193 177.2276 64 G 3.8434 8.3378 107.2439 45.6832 0.0000 172.8117 65 T 4.4068 7.3904 112.4322 59.9527 69.4081 174.1397 66 D 4.6097 8.3589 125.2818 53.0282 41.9826 175.2933 67 P 4.1549 0.0000 0.0000 65.9005 31.3067 178.3109 68 Y 4.1251 8.0658 115.3191 60.9897 37.7635 178.4329 69 A 4.1186 8.3556 121.3988 54.8237 18.5622 179.3515 70 L 3.9705 7.9169 119.0962 58.3985 42.1913 179.2340 71 L 4.0425 8.2690 118.9982 57.6837 41.4583 179.8056 72 S 4.1203 7.9856 115.2755 61.3129 62.6008 176.2681 73 K 3.8315 7.8979 121.1417 59.5007 31.9524 178.1109 74 L 4.0731 7.7634 118.8969 58.4266 42.1796 178.6925 75 E 4.1118 8.1950 116.5696 58.7056 29.5444 179.4671 76 A 4.3038 7.6163 122.3984 51.2494 19.7206 178.2466 *78 T 4.1253 7.6430 110.1275 61.8853 69.3262 171.5117 79 P 4.3660 0.0000 0.0000 65.6470 32.1567 176.8167 80 S 4.2425 7.7850 116.2373 58.3424 63.1189 173.5829 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 N 8.28 4.63 0.00 2.81 2.86 0.00 0.00 6.96 7.82 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 A 7.90 3.82 1.35 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 0.00 0.00 0.00 1 T 8.18 3.82 4.24 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 1.20 0.00 0.00 2 K 7.82 4.03 0.00 1.87 1.82 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 3 T 7.88 3.82 4.24 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 1.29 0.00 0.00 4 I 7.67 3.78 1.88 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 1.41 0.82 0.91 0.00 0.00 5 H 7.81 4.05 0.00 3.19 3.43 0.00 5.59 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 6 N 8.52 4.42 0.00 2.87 2.88 0.00 0.00 6.98 7.67 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 7 A 7.77 4.06 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 8 R 8.13 3.88 0.00 1.99 1.94 0.00 3.12 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 9 Y 7.94 3.84 0.00 2.96 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 10 Q 8.31 3.93 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 11 A 8.01 3.95 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 12 L 7.60 3.77 0.00 1.67 1.46 0.66 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.53 3.79 0.00 1.77 1.59 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.03 4.32 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.03 0.00 1.88 1.74 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.14 4.07 0.00 1.84 1.86 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.26 3.98 0.00 1.84 1.82 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.21 3.91 0.00 2.25 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 0.00 2.31 2.33 0.00 19 A 7.99 4.03 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 20 R 8.25 3.79 0.00 1.91 2.11 0.00 3.08 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 1.67 1.61 0.00 21 S 8.10 4.16 0.00 4.01 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 22 A 7.81 4.13 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 23 A 7.78 4.16 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 24 G 7.91 3.81 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 0.00 0.00 0.00 25 I 7.60 4.48 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.93 0.00 0.00 26 T 7.99 4.34 4.24 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 1.21 0.00 0.00 27 Q 8.45 4.01 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 28 K 8.00 3.99 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.50 7.81 29 E 8.15 3.91 0.00 2.09 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 0.00 2.28 2.32 0.00 30 L 8.03 3.85 0.00 1.69 1.71 0.60 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.27 4.01 1.54 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 32 A 8.05 3.96 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 33 R 7.82 3.86 0.00 1.88 1.94 0.00 3.32 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 34 L 7.77 4.27 0.00 1.68 1.59 0.95 0.82 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 35 G 7.61 3.81 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 0.00 0.00 0.00 36 R 7.62 4.65 0.00 1.60 1.60 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 37 P 0.00 4.46 0.00 2.26 2.01 0.00 3.63 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 2.16 2.09 0.00 38 Q 8.89 4.06 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 39 S 8.20 4.29 0.00 4.13 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 0.00 40 F 8.34 4.13 0.00 3.23 3.33 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 41 V 7.94 3.85 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 1.15 0.00 0.00 1.12 0.00 0.00 42 S 8.38 4.18 0.00 4.11 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 0.00 43 K 8.42 3.98 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.62 7.81 44 T 7.72 3.82 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 0.45 0.00 0.00 45 E 7.97 4.04 0.00 1.99 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 2.42 2.61 0.00 46 N 8.05 4.61 0.00 2.78 2.85 0.00 0.00 6.98 6.66 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 47 A 7.48 3.81 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 48 E 8.38 4.43 0.00 1.93 1.98 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 2.26 2.40 0.00 49 R 7.41 4.45 0.00 1.65 1.61 0.00 3.25 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 50 R 8.44 4.05 0.00 1.63 1.70 0.00 2.92 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.00 51 L 8.79 4.37 0.00 1.82 1.72 0.65 1.09 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 52 D 9.23 4.79 0.00 2.98 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 53 V 8.21 3.72 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 0.86 0.00 0.00 1.00 0.00 0.00 54 I 7.79 3.92 2.04 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 1.69 0.85 0.95 0.00 0.00 55 E 9.19 4.31 0.00 2.29 2.36 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 2.51 2.54 0.00 56 F 8.72 4.37 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 58 D 8.07 3.96 0.00 3.05 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 59 F 8.48 3.99 0.00 3.37 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 60 C 7.96 4.02 0.00 2.70 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 61 R 7.86 4.12 0.00 1.73 1.97 0.00 3.36 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 62 G 8.14 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.90 1.92 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 1.27 0.44 0.88 0.00 0.00 64 G 8.34 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 65 T 7.39 4.41 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 1.21 0.00 0.00 66 D 8.36 4.61 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 1.67 1.68 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 68 Y 8.07 4.13 0.00 3.19 3.04 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 0.00 0.00 0.00 0.00 69 A 8.36 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.97 0.00 1.97 1.99 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.27 4.04 0.00 1.80 1.71 0.92 0.45 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 72 S 7.99 4.12 0.00 4.08 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 73 K 7.90 3.83 0.00 1.94 2.00 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 74 L 7.76 4.07 0.00 1.64 1.83 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.20 4.11 0.00 1.98 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 0.00 2.33 2.47 0.00 76 A 7.62 4.30 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 *78 T 7.64 4.13 4.42 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 1.20 0.00 0.00 79 P 0.00 4.37 0.00 2.06 2.18 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 80 S 7.78 4.24 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.