NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9956 8.5798 109.1287 44.9958 0.0000 173.3470 1 V 3.2068 8.4473 123.1345 60.9002 31.7322 174.6039 2 D 4.4283 9.1774 123.2406 53.9228 41.7877 178.1513 3 R 3.8690 8.5307 127.3099 59.2355 30.2788 178.9569 4 D 4.3470 8.0448 116.4555 56.7241 40.7890 176.7921 5 Y 4.1465 7.8423 115.4045 58.5778 38.4198 175.6314 6 L 4.5931 7.5266 120.3133 53.3969 43.0891 176.2173 7 Q 4.2196 8.9420 124.4165 55.8688 29.6898 177.2750 8 S 4.3245 8.7013 119.2862 60.0644 63.8407 173.6416 9 E 5.2330 7.9807 119.2532 54.7803 33.1322 174.6603 10 Y 4.3339 8.8809 123.7524 56.5102 41.3386 175.5140 11 G 3.5316 7.9071 120.0431 46.4878 0.0000 175.6660 12 V 3.7143 8.3988 123.5579 63.2450 31.6564 176.0344 13 L 3.5610 7.6935 122.6744 53.4647 41.9010 175.5079 14 K 5.0164 9.1075 124.9992 53.8938 34.5010 175.1385 15 A 4.4135 8.9525 130.0887 54.1179 18.6336 177.6561 16 G 4.0494 9.5104 112.0886 45.0219 0.0000 173.6728 17 Q 4.5195 8.0826 118.7492 55.3232 30.8000 174.6669 18 C 5.1385 8.3176 118.7683 58.7062 31.0412 172.3453 19 Y 5.2316 8.5374 118.3581 56.2096 42.1046 174.0854 20 K 4.9789 9.3126 125.1316 55.2217 34.3896 175.7272 21 V 4.1507 9.2694 128.2045 63.2986 32.0315 176.4267 22 V 4.3414 8.8437 121.0406 61.3186 32.7811 176.0340 23 R 4.5897 7.6369 120.7949 54.3868 32.7480 174.7626 24 S 4.6945 8.8980 122.7437 59.2860 63.7103 173.4288 25 F 5.1055 8.6931 116.9054 55.9792 41.5590 172.9278 26 R 5.2070 8.7552 118.6939 54.6889 32.5967 176.0907 27 D 4.9879 9.0377 123.4759 52.1774 41.7388 176.3058 28 Y 4.0252 8.6448 118.9288 60.8402 38.7157 177.0546 29 R 4.1303 8.2809 116.2286 55.4563 30.1671 175.4095 30 N 4.2298 8.1097 115.3758 54.4563 38.0952 173.5708 31 I 3.9986 8.0544 117.0688 60.1497 38.5161 174.6199 32 N 4.8753 8.3535 125.6516 52.9170 40.1746 173.4074 33 Y 4.3685 8.5890 123.7728 56.0222 40.7294 174.1869 34 E 4.6950 8.5190 124.9502 54.2544 31.7094 175.1391 35 R 4.1426 8.5696 127.0736 58.5686 30.4841 175.9797 36 G 4.0937 9.1586 113.5398 45.3282 0.0000 173.7698 37 D 4.5819 8.1281 119.7331 54.8291 41.8281 175.9999 38 V 5.7089 8.1311 120.4918 60.0635 35.4718 174.4522 *40 R 4.5705 8.2729 123.3022 56.0569 31.6347 174.1752 41 F 4.1166 9.5723 129.5672 58.4677 39.8601 175.3844 42 L 4.2345 9.5410 125.8319 54.4341 43.5093 176.8632 43 G 3.7563 5.3800 105.0857 43.3412 0.0000 170.9130 44 S 5.4533 8.4168 114.1064 56.6255 67.0721 172.6171 45 N 5.4100 9.1279 118.1200 52.0190 42.6271 172.6008 46 F 5.2108 9.0029 127.2366 56.5393 42.1609 174.5858 47 V 3.9133 7.9804 127.2544 60.5307 31.4541 174.1286 48 P 4.1066 0.0000 0.0000 65.6414 31.7083 178.4086 49 Y 4.0430 8.0843 117.6572 60.8273 38.6072 176.8015 50 E 4.0137 8.0437 115.0097 55.9598 30.2611 176.3142 51 S 3.3834 7.3199 114.6825 59.3018 61.1878 172.6597 52 G 4.0009 7.3781 108.4815 44.8471 0.0000 173.1045 53 L 5.0612 8.6593 130.0426 53.4939 43.4215 175.7356 54 S 4.7421 9.1313 123.2207 56.7703 65.3438 173.0393 55 L 4.8649 8.7764 125.4902 53.0907 43.8095 175.4421 56 F 5.1933 8.9047 123.9557 56.4344 40.7790 175.3773 57 F 5.3227 9.4575 121.2162 55.8185 43.6675 173.0276 58 D 5.3160 9.4349 121.5112 52.8739 43.1537 175.3111 59 K 4.6215 9.2132 126.7847 55.4982 34.1349 175.5592 60 N 4.3297 10.2010 125.1032 54.2410 36.2012 175.4881 61 G 4.0451 8.6664 105.8759 45.4819 0.0000 173.9024 62 S 4.7264 7.9000 115.0251 56.1090 63.7947 172.2970 63 E 4.7875 8.7227 128.5502 56.1792 30.7882 175.0792 64 R 4.9418 9.5310 126.3619 54.4696 33.2816 174.6435 65 Q 4.3117 8.8303 125.1305 54.7461 30.2560 174.9819 66 I 4.4298 8.4559 129.1104 60.1266 40.2273 174.6242 *68 L 4.3675 8.1451 121.1738 55.0869 43.2587 176.0311 69 C 4.4043 9.1049 125.2271 58.2670 32.2389 173.5851 70 V 4.3504 8.5888 130.9060 61.7449 28.8636 175.2381 71 R 4.8210 7.6661 121.6419 53.2900 34.7436 174.8111 72 P 4.2657 0.0000 0.0000 65.6921 31.3746 177.6437 73 E 4.1908 8.0101 113.2001 57.0262 31.7426 176.6911 74 F 4.5670 8.5634 116.1656 57.5454 39.4349 177.4785 75 Q 4.3716 5.9213 135.0000 54.7178 30.2038 175.3729 *77 E 4.3732 8.6203 123.3304 56.1854 31.9030 177.3353 78 I 3.4180 7.5088 118.4572 64.0425 37.4698 177.9941 79 A 4.0545 7.7801 121.7301 55.2813 18.1982 178.0541 80 H 4.6456 8.1198 110.0406 57.0201 29.8909 174.8116 81 H 5.0842 7.9782 116.8355 54.6518 29.7038 175.0314 82 L 4.2150 8.0866 121.3198 57.8961 42.0746 179.4969 83 D 5.0080 7.9875 115.3195 54.4676 39.6491 177.2260 84 S 4.1835 8.2286 116.1673 60.3746 63.4068 174.2619 85 Y 4.3841 7.7684 116.7208 57.8926 40.6210 175.6833 86 F 5.4866 8.9998 117.8050 55.6477 42.8970 173.9733 87 C 5.2270 9.3234 123.5535 57.0232 34.2300 173.1292 88 K 3.7453 8.8823 127.3153 57.7596 32.7003 176.4371 89 L 4.0152 8.3068 125.2583 55.1073 41.9577 174.3029 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 G 8.58 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 0.00 0.00 0.00 1 V 8.45 3.21 1.67 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 0.05 0.00 0.00 0.40 0.00 0.00 2 D 9.18 4.43 0.00 2.70 2.70 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 0.00 0.00 0.00 0.00 3 R 8.53 3.87 0.00 1.81 1.87 0.00 3.22 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 4 D 8.04 4.35 0.00 2.80 2.56 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 0.00 0.00 0.00 5 Y 7.84 4.15 0.00 3.07 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 L 7.53 4.59 0.00 1.64 1.52 0.51 0.62 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 7 Q 8.94 4.22 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.83 0.00 0.00 0.00 0.00 0.00 2.66 2.36 0.00 8 S 8.70 4.32 0.00 4.07 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 9 E 7.98 5.23 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 10 Y 8.88 4.33 0.00 3.05 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 11 G 7.91 3.53 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 0.00 0.00 0.00 12 V 8.40 3.71 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 1.05 0.00 0.00 13 L 7.69 3.56 0.00 0.81 0.13 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.11 5.02 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 15 A 8.95 4.41 1.28 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 16 G 9.51 4.05 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 0.00 0.00 0.00 17 Q 8.08 4.52 0.00 2.37 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 18 C 8.32 5.14 0.00 2.84 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 19 Y 8.54 5.23 0.00 3.21 3.15 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 20 K 9.31 4.98 0.00 1.87 1.75 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 21 V 9.27 4.15 2.25 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 1.00 0.00 0.00 0.98 0.00 0.00 22 V 8.84 4.34 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 0.72 0.00 0.00 0.93 0.00 0.00 23 R 7.64 4.59 0.00 1.58 1.42 0.00 3.27 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 24 S 8.90 4.69 0.00 3.83 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 25 F 8.69 5.11 0.00 2.97 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 26 R 8.76 5.21 0.00 1.76 1.89 0.00 3.20 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 27 D 9.04 4.99 0.00 3.11 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.64 4.03 0.00 3.02 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 29 R 8.28 4.13 0.00 2.05 1.94 0.00 3.61 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 30 N 8.11 4.23 0.00 2.72 2.79 0.00 0.00 7.11 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 31 I 8.05 4.00 1.99 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 1.23 0.83 0.36 0.00 0.00 32 N 8.35 4.88 0.00 2.59 2.51 0.00 0.00 6.99 7.54 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 33 Y 8.59 4.37 0.00 1.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.52 4.70 0.00 1.98 1.76 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 2.30 2.26 0.00 35 R 8.57 4.14 0.00 1.79 1.86 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 36 G 9.16 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 37 D 8.13 4.58 0.00 2.91 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 38 V 8.13 5.71 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 1.05 0.00 0.00 *40 R 8.27 4.57 0.00 2.10 1.98 0.00 3.28 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 41 F 9.57 4.12 0.00 2.91 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 42 L 9.54 4.23 0.00 1.35 1.48 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 G 5.38 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 0.00 0.00 0.00 44 S 8.42 5.45 0.00 3.92 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 45 N 9.13 5.41 0.00 2.99 2.80 0.00 0.00 6.97 7.36 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 46 F 9.00 5.21 0.00 3.03 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 47 V 7.98 3.91 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 0.89 0.00 0.00 0.86 0.00 0.00 48 P 0.00 4.11 0.00 2.30 2.29 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 49 Y 8.08 4.04 0.00 2.81 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 50 E 8.04 4.01 0.00 1.79 1.79 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 2.31 2.39 0.00 51 S 7.32 3.38 0.00 3.92 4.03 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 52 G 7.38 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 0.00 0.00 0.00 53 L 8.66 5.06 0.00 1.89 1.75 0.65 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.13 4.74 0.00 3.73 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 55 L 8.78 4.86 0.00 1.67 1.72 0.84 0.56 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 56 F 8.90 5.19 0.00 2.95 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 57 F 9.46 5.32 0.00 3.04 2.99 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 58 D 9.43 5.32 0.00 2.83 2.64 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 59 K 9.21 4.62 0.00 1.85 1.72 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 60 N 10.20 4.33 0.00 2.89 2.87 0.00 0.00 7.38 7.65 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 61 G 8.67 4.05 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 0.00 0.00 0.00 62 S 7.90 4.73 0.00 3.89 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 63 E 8.72 4.79 0.00 2.16 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 2.59 2.50 0.00 64 R 9.53 4.94 0.00 1.91 2.00 0.00 3.42 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 65 Q 8.83 4.31 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.89 0.00 0.00 0.00 0.00 0.00 1.95 1.24 0.00 66 I 8.46 4.43 2.01 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.59 0.95 0.00 0.00 *68 L 8.15 4.37 0.00 1.59 1.64 0.80 0.76 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 69 C 9.10 4.40 0.00 2.09 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 70 V 8.59 4.35 2.31 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 0.83 0.00 0.00 1.18 0.00 0.00 71 R 7.67 4.82 0.00 2.08 2.02 0.00 3.22 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 72 P 0.00 4.27 0.00 2.02 2.12 0.00 3.69 0.00 0.00 3.73 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 73 E 8.01 4.19 0.00 1.76 1.90 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 1.47 1.81 0.00 74 F 8.56 4.57 0.00 3.23 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 75 Q 5.92 4.37 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.47 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 *77 E 8.62 4.37 0.00 1.99 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 0.00 2.29 2.48 0.00 78 I 7.51 3.42 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.40 0.04 0.00 0.00 79 A 7.78 4.05 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 80 H 8.12 4.65 0.00 3.08 3.14 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.98 5.08 0.00 3.57 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.09 4.22 0.00 1.78 1.85 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.99 5.01 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.23 4.18 0.00 3.65 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 85 Y 7.77 4.38 0.00 2.69 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 0.00 0.00 0.00 86 F 9.00 5.49 0.00 2.89 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 87 C 9.32 5.23 0.00 3.03 2.83 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 88 K 8.88 3.75 0.00 1.84 1.66 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 0.87 7.81 89 L 8.31 4.02 0.00 1.75 1.81 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.