NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5084 8.3531 120.3198 52.2388 41.3222 176.0207 5 G 3.7902 8.3679 108.1029 45.3756 0.0000 172.0024 6 Y 4.3977 8.9923 120.0663 57.5315 38.0568 173.7243 7 F 4.3233 8.9888 124.2366 58.1518 39.8765 176.1241 8 E 4.8364 7.9723 118.8132 53.3191 32.2303 173.9783 9 P 4.3333 0.0000 0.0000 62.6476 32.2230 177.7691 10 T 3.5789 8.3597 112.4190 64.8811 68.6005 176.1171 11 Q 4.0194 7.9107 118.7809 57.5295 28.7719 176.3820 12 E 4.5185 8.0023 116.4518 55.8084 30.0081 175.5863 13 L 4.8301 7.6997 119.6157 52.2673 44.6207 177.2479 14 S 4.4286 8.3904 117.2276 57.9403 65.1487 174.9185 15 D 4.4252 8.7334 122.2548 57.9810 40.3014 179.1287 16 E 4.1024 8.1362 117.7294 59.4082 29.8349 178.3827 17 T 4.1228 7.7063 114.7218 66.8107 68.7932 176.4757 18 R 4.3792 8.4397 120.2230 59.2377 30.0798 179.7990 19 D 4.6597 8.4797 117.6902 54.7486 40.7882 178.0207 *21 H 4.6693 8.1666 120.6917 56.3636 31.9235 175.2105 22 R 3.7418 8.1426 118.1599 59.1935 29.7280 178.9560 23 A 3.8131 7.9117 120.2671 55.1464 18.5080 179.4150 24 I 3.6771 7.8219 117.6967 64.8632 37.1991 178.3880 25 I 3.7019 7.7311 119.0425 64.1313 37.8085 177.9892 26 S 4.0910 7.8945 115.8552 61.4715 62.5350 176.5328 27 L 3.9744 7.9967 123.0111 58.1300 41.8894 179.1388 28 R 3.9160 8.4094 118.4718 59.4702 30.0360 178.9707 29 E 4.0085 8.5857 118.6906 59.2289 29.4205 179.2730 30 E 3.9986 8.2878 118.6844 59.5389 29.5567 179.4046 31 L 4.0379 8.1659 119.1399 57.6185 41.5779 179.2768 32 E 3.8623 8.3339 119.1211 59.1429 29.5400 178.4474 33 A 3.8176 8.0243 120.8555 55.2641 18.3193 179.7324 34 V 3.6138 7.8644 116.3933 66.2073 31.6634 177.5534 35 D 4.3385 8.1986 117.7177 57.6365 41.0002 178.4086 36 L 4.0080 8.3018 119.7154 57.7739 41.4883 179.1577 37 Y 4.2675 8.1419 117.0535 61.0828 37.8380 177.7656 38 N 4.3143 8.6502 118.4144 56.9289 39.0072 176.9247 39 Q 3.9934 8.1725 119.2217 59.1722 28.8511 178.9615 40 R 4.0060 8.3041 119.2328 59.0193 29.7817 179.4388 41 V 3.5912 7.7800 117.7195 66.0380 31.6780 177.2374 42 N 4.4085 8.0468 115.2994 56.2887 38.9030 175.8071 43 A 4.3801 7.7085 119.2972 51.8051 19.6622 177.0092 44 C 4.3590 7.1045 117.2610 59.0770 32.5169 172.5164 45 K 4.3580 8.4481 122.1391 57.9417 33.9233 176.7314 46 D 4.3586 7.9525 118.5021 54.3108 41.6697 176.8974 47 K 4.0213 8.7308 127.3824 59.3377 32.2659 178.8009 48 E 3.8715 8.1848 118.5720 59.2050 29.5684 178.2982 49 L 3.9062 8.4510 120.8334 58.3317 42.0359 178.7774 50 K 3.8097 8.1339 118.8720 59.7279 32.0765 178.3609 51 A 3.9931 7.9622 120.7221 55.1170 18.1756 179.6101 52 I 3.5717 7.7741 118.1937 64.6080 37.1661 178.5567 53 L 3.6320 8.0874 119.6121 57.7176 41.4571 179.5941 54 A 3.8943 7.9349 120.6419 55.1683 18.3491 178.9727 55 H 3.9311 8.1980 116.7709 59.5537 29.8810 177.2163 56 N 4.1060 8.1868 118.3472 56.2302 38.2758 177.0590 57 R 3.9350 7.4536 120.3936 60.0445 29.8222 178.1461 58 D 4.3959 7.8023 116.8568 57.0705 41.0747 178.3091 59 E 4.0147 7.9024 119.3496 59.2781 29.3193 179.1345 60 E 3.7706 8.3341 118.7954 59.0130 29.4749 179.1146 61 K 3.8050 7.8350 118.4325 59.7616 31.8679 178.7708 62 E 3.9642 7.8291 118.4440 59.4904 29.6550 178.2479 63 H 4.3801 7.9566 114.5960 58.6973 29.0760 177.0413 64 A 4.1911 8.2729 122.4958 55.2055 18.2093 179.8007 65 A 3.8876 7.7329 116.1832 53.5676 18.7012 179.0668 *67 L 4.2337 7.8126 121.4483 55.9910 44.0116 179.0002 68 L 3.8269 8.3099 120.1619 58.2539 41.9254 178.7310 69 E 3.9511 8.1990 119.1611 58.9037 29.3346 178.5350 70 W 4.0361 8.1484 127.0697 60.3976 31.2098 177.3990 71 I 3.7546 8.1845 119.8870 64.4857 36.6847 178.1060 72 R 3.7819 8.2323 119.6343 59.7058 29.6579 178.4751 73 R 4.1320 7.7071 115.5823 57.6315 30.0178 176.8067 74 C 4.7060 7.2902 113.0149 57.4340 30.1474 174.3307 75 D 4.6275 7.8389 120.4127 51.6711 41.3279 173.6274 76 P 4.2624 0.0000 0.0000 64.8071 31.4388 177.7612 77 A 3.9900 8.0205 119.5132 55.0278 18.3728 179.2885 78 F 4.1873 8.8342 119.5011 61.2911 39.4786 176.7228 79 D 4.3732 8.5838 118.2027 57.4565 41.0753 178.1675 80 K 3.9340 8.3043 120.0266 59.6272 32.1888 178.6212 81 E 4.1452 7.9997 117.3146 59.4954 29.5321 179.1817 82 L 4.1370 8.2190 119.3098 57.7112 41.4615 179.7755 83 K 4.2492 8.0988 117.7720 60.0101 32.5077 178.7206 84 D 4.3148 7.8551 119.1031 56.4972 40.7457 176.6459 85 Y 4.4544 7.7001 114.8971 58.3398 40.1977 176.3439 86 L 3.7524 8.1931 122.1469 55.9586 42.4444 176.3042 87 F 4.0132 8.2741 123.5314 59.0862 35.7466 174.9896 88 T 4.5713 7.9360 109.7779 60.3912 70.6768 173.5453 89 N 4.8762 8.4868 116.9468 52.3227 38.7461 174.8759 90 K 4.3256 7.7371 118.0177 54.9206 34.0936 174.5907 91 P 4.3412 0.0000 0.0000 62.6465 31.4269 176.4947 92 I 3.9514 8.7422 124.8627 64.2098 37.3454 175.9569 93 A 4.4592 7.9737 118.2828 53.8428 20.8873 175.6158 94 H 4.3230 8.2935 117.8929 56.7443 30.9483 174.1417 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 4 D 8.35 4.51 0.00 2.90 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 5 G 8.37 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 0.00 0.00 0.00 6 Y 8.99 4.40 0.00 3.18 2.84 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 7 F 8.99 4.32 0.00 2.98 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 8 E 7.97 4.84 0.00 2.00 1.88 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 2.31 2.29 0.00 9 P 0.00 4.33 0.00 2.13 1.93 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.06 0.00 10 T 8.36 3.58 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 0.08 0.00 0.00 11 Q 7.91 4.02 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 12 E 8.00 4.52 0.00 2.07 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 2.26 2.24 0.00 13 L 7.70 4.83 0.00 1.61 1.60 1.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.39 4.43 0.00 4.08 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 15 D 8.73 4.43 0.00 2.75 2.84 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 16 E 8.14 4.10 0.00 2.03 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 2.37 2.48 0.00 17 T 7.71 4.12 4.46 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 1.31 0.00 0.00 18 R 8.44 4.38 0.00 2.06 2.17 0.00 3.35 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 19 D 8.48 4.66 0.00 2.91 2.76 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 *21 H 8.17 4.67 0.00 3.27 3.57 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.14 3.74 0.00 1.94 1.84 0.00 3.33 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 23 A 7.91 3.81 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 24 I 7.82 3.68 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 0.95 0.00 0.00 25 I 7.73 3.70 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.76 0.00 0.00 26 S 7.89 4.09 0.00 4.02 3.85 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 27 L 8.00 3.97 0.00 1.82 1.95 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.41 3.92 0.00 2.02 1.96 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 29 E 8.59 4.01 0.00 2.12 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 2.31 2.44 0.00 30 E 8.29 4.00 0.00 2.16 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 2.61 2.54 0.00 31 L 8.17 4.04 0.00 1.68 1.72 0.93 1.00 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 32 E 8.33 3.86 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 33 A 8.02 3.82 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 34 V 7.86 3.61 2.27 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 1.09 0.00 0.00 1.07 0.00 0.00 35 D 8.20 4.34 0.00 2.90 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 36 L 8.30 4.01 0.00 1.67 1.49 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.14 4.27 0.00 3.28 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 38 N 8.65 4.31 0.00 3.04 2.96 0.00 0.00 7.27 6.46 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 39 Q 8.17 3.99 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 40 R 8.30 4.01 0.00 2.07 2.05 0.00 3.11 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 41 V 7.78 3.59 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 0.81 0.00 0.00 0.97 0.00 0.00 42 N 8.05 4.41 0.00 2.88 3.05 0.00 0.00 7.22 8.04 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 43 A 7.71 4.38 1.31 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 44 C 7.10 4.36 0.00 3.25 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 45 K 8.45 4.36 0.00 1.75 1.80 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.33 7.81 46 D 7.95 4.36 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 4.02 0.00 1.91 1.78 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.59 7.81 48 E 8.18 3.87 0.00 2.27 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 2.39 2.41 0.00 49 L 8.45 3.91 0.00 1.73 1.86 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.13 3.81 0.00 2.02 2.00 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 51 A 7.96 3.99 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 52 I 7.77 3.57 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.87 0.00 0.00 53 L 8.09 3.63 0.00 1.69 1.83 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.93 3.89 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 55 H 8.20 3.93 0.00 3.20 3.45 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 56 N 8.19 4.11 0.00 1.79 2.50 0.00 0.00 6.70 7.20 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 57 R 7.45 3.93 0.00 1.92 2.06 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 58 D 7.80 4.40 0.00 2.62 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 59 E 7.90 4.01 0.00 2.06 1.88 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 2.15 2.20 0.00 60 E 8.33 3.77 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 61 K 7.83 3.81 0.00 2.01 1.88 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 62 E 7.83 3.96 0.00 1.96 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 0.00 2.35 2.36 0.00 63 H 7.96 4.38 0.00 3.40 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.27 4.19 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 65 A 7.73 3.89 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.23 0.00 1.90 1.79 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.31 3.83 0.00 1.80 1.80 0.53 0.66 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 69 E 8.20 3.95 0.00 2.16 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 2.34 2.39 0.00 70 W 8.15 4.04 0.00 3.32 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 71 I 8.18 3.75 1.94 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 1.67 1.29 0.92 0.00 0.00 72 R 8.23 3.78 0.00 1.73 2.04 0.00 3.23 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 73 R 7.71 4.13 0.00 1.59 1.86 0.00 3.12 0.00 0.00 3.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 74 C 7.29 4.71 0.00 2.81 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 75 D 7.84 4.63 0.00 2.71 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 76 P 0.00 4.26 0.00 2.19 2.08 0.00 3.64 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 2.09 2.12 0.00 77 A 8.02 3.99 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 78 F 8.83 4.19 0.00 3.42 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 79 D 8.58 4.37 0.00 2.98 2.87 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 0.00 0.00 0.00 80 K 8.30 3.93 0.00 1.88 1.98 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 81 E 8.00 4.15 0.00 2.37 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 0.00 2.54 2.45 0.00 82 L 8.22 4.14 0.00 1.75 1.72 0.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.10 4.25 0.00 1.94 1.98 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.69 1.51 7.81 84 D 7.86 4.31 0.00 2.85 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 0.00 0.00 0.00 0.00 85 Y 7.70 4.45 0.00 2.98 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 86 L 8.19 3.75 0.00 1.68 1.24 0.67 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.27 4.01 0.00 3.30 3.11 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 0.00 0.00 0.00 0.00 88 T 7.94 4.57 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 1.22 0.00 0.00 89 N 8.49 4.88 0.00 2.83 2.96 0.00 0.00 6.01 7.13 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 90 K 7.74 4.33 0.00 1.88 1.85 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.45 7.81 91 P 0.00 4.34 0.00 2.09 2.07 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 92 I 8.74 3.95 1.91 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 1.47 0.54 0.91 0.00 0.00 93 A 7.97 4.46 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 94 H 8.29 4.32 0.00 3.25 3.22 0.00 5.77 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 * Residues marked with a * may have inaccurate shift predictions.