NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5158 8.3531 120.1964 55.4613 42.4405 172.9752 5 G 4.0311 9.5525 115.5005 45.3486 0.0000 171.6795 6 Y 4.6129 8.3782 119.9784 56.7182 38.9081 173.6798 7 F 4.5931 9.0844 123.2759 57.2920 40.2398 175.7891 8 E 4.8618 7.9535 119.1449 53.2529 32.7498 173.9170 9 P 4.3006 0.0000 0.0000 62.8678 32.2541 177.8412 10 T 3.6123 8.3951 112.9182 64.5925 68.7220 176.2408 11 Q 4.0427 7.9627 118.5490 58.0290 28.5113 176.6378 12 E 4.4116 8.0522 116.9227 56.2761 30.3447 175.6885 13 L 4.7871 7.4353 119.3531 52.5173 44.0512 177.2155 14 S 4.3901 8.3590 117.1587 58.2231 65.1410 174.8965 15 D 4.4588 8.8254 122.9110 57.8481 40.2650 179.2226 16 E 4.0059 8.0778 118.2080 59.7921 29.9570 178.4884 17 T 4.1005 7.7220 114.3050 66.7711 68.6811 176.4916 18 R 4.4130 8.2287 119.9423 58.8348 30.0956 179.0706 19 D 4.6328 8.4658 117.0643 54.9551 40.5839 177.8179 *21 H 4.6708 8.1309 120.7603 56.3821 31.8706 175.2954 22 R 3.7146 8.1345 118.1967 59.1932 29.6646 178.9897 23 A 3.7693 8.0135 120.3495 55.1696 18.4207 179.7814 24 I 3.6594 7.6487 117.8589 64.5949 37.2239 178.4502 25 I 3.6991 7.9768 119.8469 63.9142 37.7933 177.9039 26 S 4.0462 7.8267 115.9719 61.6351 62.7180 176.4608 27 L 3.9542 8.1300 123.0233 58.2510 41.7384 179.1773 28 R 3.9341 8.3996 118.3491 59.3743 30.0204 178.9117 29 E 3.9539 8.3678 118.4599 59.3657 29.4591 179.0945 30 E 4.0123 8.3058 119.3734 59.1963 29.7286 178.8284 31 L 4.0089 8.0780 119.1479 57.6041 41.5697 179.0280 32 E 3.8586 8.5894 119.4472 59.2550 29.5602 178.4407 33 A 3.7945 8.3571 121.1664 55.3128 18.3804 179.7316 34 V 3.6119 7.8592 116.3471 66.1939 31.5755 177.5920 35 D 4.3395 8.0779 117.6327 57.4134 41.0209 178.2865 36 L 3.9127 8.0868 119.5060 58.1097 41.5667 179.0568 37 Y 4.3565 7.9356 116.7087 61.1558 37.7734 178.3396 38 N 4.3070 8.3977 117.8732 56.9057 39.1830 177.0087 39 Q 4.0244 8.3539 119.5520 58.9071 28.7002 178.9259 40 R 3.9185 8.4509 119.5534 59.2350 29.9350 178.9562 41 V 3.5960 8.2360 117.3930 66.3689 31.5022 177.2533 42 N 4.4088 8.1023 114.9690 56.1768 38.8872 175.8794 43 A 4.4135 7.6002 119.8020 51.8436 19.9079 177.0890 44 C 4.0918 7.8997 118.5745 59.7988 32.5100 174.1879 45 K 4.6173 8.0939 125.7546 54.2697 32.0707 177.2500 46 D 4.3606 7.4886 115.6163 52.3255 44.7299 174.5714 47 K 3.9399 8.7303 127.5438 59.8432 32.1775 178.7489 48 E 3.9156 8.2571 118.1864 59.1333 29.4161 178.5420 49 L 3.8930 8.1935 120.1113 58.3907 42.0669 178.8585 50 K 3.7733 8.4063 119.4038 59.8701 32.0275 178.2689 51 A 3.9599 7.9758 120.5373 55.2666 18.2004 179.7475 52 I 3.6653 7.6561 117.8317 64.2261 37.1829 178.2611 53 L 3.6790 8.1198 119.9202 58.0599 41.3327 179.5830 54 A 3.9378 7.9215 119.2622 55.2609 18.6738 178.9272 55 H 4.1048 8.1665 116.7144 59.5796 30.1390 177.0540 56 N 4.1027 8.2170 118.5869 56.5117 38.4393 177.4282 57 R 3.9920 7.4388 119.7135 59.2128 29.8944 178.1300 58 D 4.4598 7.5811 117.7179 56.7645 41.2697 178.2157 59 E 4.0045 7.8915 118.8159 59.3664 29.3814 178.9989 60 E 3.9596 8.0562 118.3733 59.1729 29.4778 179.2910 61 K 3.8425 7.6437 117.7950 59.4342 31.7939 178.7998 62 E 4.0021 7.8399 118.7908 59.2018 29.7130 177.8837 63 H 4.3296 8.1622 114.5740 58.9320 29.1216 176.8367 64 A 4.2002 8.2496 122.2579 55.2295 18.1831 180.9705 65 A 3.7701 7.8297 116.6127 52.8165 18.5912 179.3504 *67 L 4.2252 7.8985 122.4990 56.3567 43.9279 179.3517 68 L 3.8785 7.9812 119.8426 57.8645 42.0419 178.3853 69 E 3.8857 8.1956 119.4009 59.2489 29.3526 178.5935 70 W 4.0932 8.2465 126.3425 60.6282 30.9389 177.4971 71 I 3.8976 7.7729 119.3785 64.1900 36.3420 178.2706 72 R 3.8351 8.1456 120.0381 59.4952 29.6350 178.8394 73 R 3.8486 7.5748 116.7688 58.6794 30.0973 177.7937 74 C 4.5815 7.1611 113.0685 58.6911 29.2151 173.8349 75 D 4.5984 7.6468 121.2116 51.1272 41.7707 173.6739 76 P 4.3084 0.0000 0.0000 64.6105 31.0460 178.0067 77 A 4.0280 8.0627 119.8791 54.9160 18.3627 179.1525 78 F 4.1461 8.1391 119.2455 60.9830 39.6183 177.0860 79 D 4.3564 8.4737 117.9345 57.2986 41.0332 177.8210 80 K 3.8498 8.0395 120.1186 60.0737 31.9669 178.3317 81 E 4.1642 8.0284 117.8285 59.4292 29.2967 179.3712 82 L 4.1503 8.2850 119.1215 57.6926 41.4210 179.6522 83 K 4.1023 7.9408 117.6075 59.1787 32.0946 178.8760 84 D 4.3697 7.9104 118.3450 57.1080 40.7962 177.4526 85 Y 4.4351 7.5832 114.9876 58.3209 39.3963 176.8269 86 L 3.6814 7.7222 119.3778 55.8036 42.6532 176.9400 87 F 3.8675 7.8537 119.7006 59.3629 36.1268 173.2125 88 T 4.8222 7.4762 108.7793 59.9880 71.8856 173.4734 89 N 4.9826 8.4653 115.4580 52.7727 40.7726 175.4246 90 K 4.2375 8.0623 116.9612 55.2707 33.5094 174.6002 91 P 4.1327 0.0000 0.0000 63.1562 31.3191 176.4012 92 I 3.9645 8.5161 123.3158 64.1586 37.3385 175.5608 93 A 4.6821 7.5295 119.8472 52.2466 21.7087 175.6664 94 H 4.6235 8.4916 115.6625 56.6213 30.7529 173.1193 95 E 4.2840 8.3240 124.2965 55.7345 29.6200 175.3743 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 4.52 0.00 2.67 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 5 G 9.55 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 0.00 0.00 0.00 6 Y 8.38 4.61 0.00 2.97 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 7 F 9.08 4.59 0.00 2.93 3.16 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 0.00 0.00 0.00 8 E 7.95 4.86 0.00 1.99 1.86 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 2.28 2.28 0.00 9 P 0.00 4.30 0.00 2.14 2.00 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 2.31 2.07 0.00 10 T 8.40 3.61 3.87 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 0.10 0.00 0.00 11 Q 7.96 4.04 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 12 E 8.05 4.41 0.00 2.16 2.04 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 2.27 2.25 0.00 13 L 7.44 4.79 0.00 1.67 1.64 1.09 0.73 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 14 S 8.36 4.39 0.00 4.08 4.02 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 15 D 8.83 4.46 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 8.08 4.01 0.00 2.02 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 2.46 0.00 17 T 7.72 4.10 4.44 0.00 0.00 0.00 0.00 0.00 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 18 R 8.23 4.41 0.00 2.11 2.16 0.00 3.30 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 19 D 8.47 4.63 0.00 2.82 2.74 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 *21 H 8.13 4.67 0.00 3.25 3.53 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 8.13 3.71 0.00 1.93 1.82 0.00 3.32 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 1.60 1.81 0.00 23 A 8.01 3.77 1.25 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 0.00 0.00 0.00 24 I 7.65 3.66 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.68 0.95 0.00 0.00 25 I 7.98 3.70 1.70 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 1.63 1.54 0.78 0.00 0.00 26 S 7.83 4.05 0.00 4.05 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 27 L 8.13 3.95 0.00 1.72 1.89 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.40 3.93 0.00 1.98 1.96 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 29 E 8.37 3.95 0.00 2.14 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 2.36 0.00 30 E 8.31 4.01 0.00 2.26 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 2.52 2.44 0.00 31 L 8.08 4.01 0.00 1.90 1.70 0.93 0.67 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 32 E 8.59 3.86 0.00 2.07 2.06 0.00 0.00 0.00 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 2.30 0.00 33 A 8.36 3.79 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 34 V 7.86 3.61 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 1.02 0.00 0.00 1.06 0.00 0.00 35 D 8.08 4.34 0.00 2.86 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 36 L 8.09 3.91 0.00 1.62 1.50 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.94 4.36 0.00 3.12 2.91 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 38 N 8.40 4.31 0.00 3.05 3.03 0.00 0.00 7.24 6.15 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 39 Q 8.35 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 40 R 8.45 3.92 0.00 2.05 2.05 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 41 V 8.24 3.60 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 0.80 0.00 0.00 1.00 0.00 0.00 42 N 8.10 4.41 0.00 2.90 2.99 0.00 0.00 7.19 8.12 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 43 A 7.60 4.41 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.09 0.00 3.20 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 45 K 8.09 4.62 0.00 1.75 1.73 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.32 7.81 46 D 7.49 4.36 0.00 2.66 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 47 K 8.73 3.94 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.54 7.81 48 E 8.26 3.92 0.00 2.23 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 2.39 2.42 0.00 49 L 8.19 3.89 0.00 1.78 1.83 0.95 0.84 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 8.41 3.77 0.00 1.97 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 51 A 7.98 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 52 I 7.66 3.67 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.45 0.93 0.00 0.00 53 L 8.12 3.68 0.00 1.88 1.80 0.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.92 3.94 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 55 H 8.17 4.10 0.00 3.23 3.42 0.00 5.61 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 8.22 4.10 0.00 1.73 2.54 0.00 0.00 6.78 7.22 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 57 R 7.44 3.99 0.00 1.88 1.96 0.00 3.12 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 58 D 7.58 4.46 0.00 2.64 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 7.89 4.00 0.00 1.84 1.86 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 2.27 2.27 0.00 60 E 8.06 3.96 0.00 2.05 2.02 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 2.60 2.70 0.00 61 K 7.64 3.84 0.00 2.14 1.87 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.46 7.81 62 E 7.84 4.00 0.00 1.97 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 2.37 2.36 0.00 63 H 8.16 4.33 0.00 3.32 3.34 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 8.25 4.20 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 7.83 3.77 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 *67 L 7.90 4.23 0.00 1.95 1.76 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.98 3.88 0.00 1.72 1.78 0.59 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.20 3.89 0.00 2.16 1.99 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 2.34 2.40 0.00 70 W 8.25 4.09 0.00 3.31 3.41 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 71 I 7.77 3.90 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.76 0.00 0.00 72 R 8.15 3.84 0.00 1.73 2.05 0.00 3.11 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 73 R 7.57 3.85 0.00 1.70 1.76 0.00 3.08 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 74 C 7.16 4.58 0.00 2.38 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 75 D 7.65 4.60 0.00 2.70 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 76 P 0.00 4.31 0.00 2.20 2.08 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 77 A 8.06 4.03 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 78 F 8.14 4.15 0.00 3.36 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 79 D 8.47 4.36 0.00 3.03 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 80 K 8.04 3.85 0.00 2.00 2.05 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 81 E 8.03 4.16 0.00 2.12 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 2.54 2.44 0.00 82 L 8.28 4.15 0.00 1.96 1.78 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.94 4.10 0.00 1.95 1.90 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.65 7.81 84 D 7.91 4.37 0.00 2.71 2.21 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 85 Y 7.58 4.44 0.00 2.83 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 86 L 7.72 3.68 0.00 1.63 0.47 0.85 0.81 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 87 F 7.85 3.87 0.00 3.22 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 88 T 7.48 4.82 4.26 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 1.32 0.00 0.00 89 N 8.47 4.98 0.00 2.70 2.86 0.00 0.00 6.85 7.61 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 90 K 8.06 4.24 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.45 7.81 91 P 0.00 4.13 0.00 2.24 2.18 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 92 I 8.52 3.96 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 0.86 0.00 0.00 93 A 7.53 4.68 1.20 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 0.00 0.00 0.00 94 H 8.49 4.62 0.00 3.11 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.32 4.28 0.00 1.97 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 2.21 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.