NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5773 8.3231 116.7913 57.4301 65.9903 172.6157 9 G 3.8699 7.1013 116.0541 43.4645 0.0000 171.9746 10 K 4.4440 10.4971 132.2619 56.2198 30.2388 175.9030 11 R 4.0274 8.0217 122.4040 55.6901 27.4546 175.7266 12 P 4.3190 0.0000 0.0000 65.4136 31.8482 176.4126 13 I 3.9670 8.0619 117.4868 59.6144 39.0193 174.1097 14 V 4.4962 7.2196 117.7763 59.2072 31.5807 170.6656 15 A 4.3161 7.9319 125.7211 51.6699 20.0204 176.0462 16 N 5.0697 8.2862 114.3947 51.4440 39.7896 174.2654 17 S 4.7084 7.9740 114.9278 56.8167 66.2664 173.1545 18 I 4.5708 8.1843 120.4285 60.0377 38.1959 175.5083 19 Q 4.7443 8.6778 126.4088 54.1893 31.6112 175.7762 20 R 4.8793 8.3400 119.9648 55.4189 31.3073 176.7637 21 R 3.8669 8.8062 121.1035 59.0579 30.5673 175.3216 22 G 3.6282 8.1480 114.1087 45.4988 0.0000 171.4152 23 K 4.4045 9.2376 124.2127 55.0028 33.0850 174.5353 24 A 4.8945 8.3784 127.0912 50.4486 20.2108 176.0301 25 K 4.6937 10.0079 124.1450 54.2019 35.3051 175.2308 26 R 5.3624 8.3973 120.2347 54.1971 29.7763 173.6880 27 E 3.9542 8.2983 120.3906 56.5455 29.2761 177.2977 28 G 4.4405 7.0459 120.9848 45.4194 0.0000 175.1663 29 G 4.0209 9.1096 108.5520 45.6269 0.0000 174.4604 30 V 4.3101 7.5065 118.5993 58.9404 32.8766 173.6539 31 G 4.1087 8.1446 115.2814 43.8648 0.0000 173.7284 32 K 4.7633 8.9904 127.6398 54.2018 37.2609 175.0444 33 K 4.1788 8.3226 118.9383 58.4842 33.2998 175.1245 34 T 4.8689 8.0954 112.7100 61.6770 70.5489 173.7815 35 T 4.5833 8.6981 117.9732 59.4098 71.5591 173.1644 36 G 3.9228 8.7745 113.2466 46.5419 0.0000 172.8743 37 I 4.3390 8.7344 126.6059 62.1060 39.3598 175.4519 38 S 4.6379 7.4776 113.1301 57.4322 65.5580 174.2644 39 K 4.8987 8.7996 124.5589 54.9026 34.4653 175.3295 40 R 4.9067 8.3463 125.3776 54.6727 34.0233 173.0064 41 R 4.9005 8.6090 116.7700 54.8645 32.7746 175.0334 42 Q 4.7099 9.6529 126.4365 54.5246 32.2699 173.8826 43 Y 4.7552 8.4855 123.9145 55.2579 41.2416 172.7607 44 P 4.6721 0.0000 0.0000 61.7651 32.8254 174.8133 45 N 4.6486 8.5986 122.3820 51.6810 39.8946 175.4456 46 L 3.9786 8.3406 122.4026 54.9795 42.2890 178.6184 47 Q 4.4127 8.3528 124.7352 56.0214 27.7843 177.5757 48 K 4.4219 7.4858 130.5732 54.0354 31.7972 178.9917 49 V 3.8824 8.9167 116.3673 62.8780 31.6731 169.0021 50 R 4.5372 8.2241 126.1223 55.3367 31.5756 175.5200 51 V 4.3840 8.7061 125.0563 61.2876 34.3350 174.1990 52 R 5.0623 8.7159 127.5868 55.2125 31.5696 176.1681 53 V 4.5864 9.1913 122.1402 60.3653 35.7904 174.4465 54 A 5.3671 7.8191 121.9587 48.7593 18.6427 175.8064 55 G 3.7810 8.4067 110.5085 47.5508 0.0000 171.4055 56 Q 4.3901 7.4482 118.1841 56.0228 32.1452 174.0253 57 E 4.9175 8.0629 116.8348 54.7491 31.1944 174.4052 58 I 4.4823 8.9004 121.3503 59.6006 40.6729 175.7778 59 T 5.0191 8.4151 123.4093 62.0319 70.0905 174.1216 60 F 4.4465 9.3698 125.9440 56.4879 41.4312 175.2762 61 R 4.9763 8.6997 122.4718 54.4834 29.9625 174.9282 62 V 4.4963 8.0799 122.6878 58.8931 34.5177 176.6348 63 A 4.4159 8.4829 123.9795 51.2977 16.4603 175.0621 64 A 4.0351 7.9119 123.4156 53.0274 17.5102 177.8939 65 S 5.6074 7.6365 126.7871 60.0652 61.7111 176.6201 66 H 4.8458 7.7297 117.5708 54.6906 30.8285 174.9384 67 I 3.5977 8.1077 122.4719 64.0608 36.8804 175.4948 68 P 4.4015 0.0000 0.0000 66.3698 30.5766 177.8756 69 K 3.7881 7.6648 118.2291 58.8758 32.1736 178.2587 70 V 3.1558 7.5535 118.4196 66.0784 31.3153 177.4505 71 Y 4.0397 7.4979 115.5004 61.2732 37.6128 178.1349 72 E 3.9767 8.0522 118.5036 59.3756 29.5466 178.8965 73 L 4.0858 7.5848 118.2215 57.7486 41.9734 178.7900 74 V 3.7789 7.8204 117.6988 66.0645 31.5388 176.8308 75 E 4.7599 8.1345 117.1154 55.8554 29.3575 178.0355 76 R 4.4079 8.0409 118.1406 54.6733 32.4858 176.4512 77 A 4.4332 8.2962 128.6743 50.9917 17.3326 176.2480 78 K 4.1312 8.1764 117.2186 55.7777 32.5167 178.9808 79 G 3.6667 7.9310 101.5593 46.9974 0.0000 173.6516 80 L 4.3620 7.8348 128.1211 53.1095 44.7791 177.0119 81 K 4.1715 8.4756 125.1617 55.8322 31.8222 176.2882 82 L 4.0296 8.2907 122.1230 56.4663 42.2844 176.4956 83 E 4.9141 8.7692 126.2158 55.2387 32.2810 177.0071 84 G 4.4442 8.6695 111.2378 45.8924 0.0000 174.0343 85 L 3.8129 8.1898 118.5137 54.8167 39.6732 177.7713 86 S 4.1336 9.6703 121.4496 58.5792 62.5828 172.2042 87 P 4.3224 0.0000 0.0000 65.3112 30.9999 178.0938 88 K 3.9021 8.0817 117.7084 59.9953 32.0469 178.1082 89 E 4.1005 8.1970 117.9573 59.0293 29.4398 178.8070 90 I 3.8489 7.6381 119.5861 64.8302 37.1874 177.9736 91 K 4.5310 10.1802 114.3811 57.0009 31.7214 177.0360 92 K 4.5414 9.0114 119.9385 58.2657 36.4620 177.2350 93 E 4.3542 8.1044 113.1041 56.7999 30.6764 177.4094 94 L 4.1312 8.1351 123.0111 55.4444 40.7469 178.5428 95 L 4.1575 8.7748 117.8643 55.0597 46.0793 175.0538 *96 K 4.1215 8.6166 120.1843 55.2113 32.3453 172.2130 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 8 S 8.32 4.58 0.00 3.88 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 9 G 7.10 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 0.00 0.00 0.00 0.00 10 K 10.50 4.44 0.00 2.19 2.16 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.19 7.81 11 R 8.02 4.03 0.00 2.14 2.10 0.00 3.43 0.00 0.00 3.24 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 12 P 0.00 4.32 0.00 2.06 2.13 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 13 I 8.06 3.97 1.47 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.77 0.00 0.00 14 V 7.22 4.50 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 0.67 0.00 0.00 0.92 0.00 0.00 15 A 7.93 4.32 1.24 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 0.00 0.00 0.00 16 N 8.29 5.07 0.00 2.66 2.73 0.00 0.00 5.77 7.64 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 17 S 7.97 4.71 0.00 3.77 3.83 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 18 I 8.18 4.57 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.96 0.00 0.00 19 Q 8.68 4.74 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 20 R 8.34 4.88 0.00 1.70 1.86 0.00 3.57 0.00 0.00 2.37 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 0.00 21 R 8.81 3.87 0.00 1.83 1.94 0.00 3.52 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 22 G 8.15 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.24 4.40 0.00 1.64 1.79 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.53 7.81 24 A 8.38 4.89 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 10.01 4.69 0.00 1.87 1.64 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.35 7.81 26 R 8.40 5.36 0.00 2.22 2.13 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 27 E 8.30 3.95 0.00 2.27 1.84 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 2.31 2.37 0.00 28 G 7.05 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 0.00 0.00 0.00 0.00 29 G 9.11 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 0.00 0.00 0.00 30 V 7.51 4.31 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 31 G 8.14 4.11 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 0.00 0.00 0.00 32 K 8.99 4.76 0.00 1.89 1.67 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 33 K 8.32 4.18 0.00 1.83 2.01 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.46 7.81 34 T 8.10 4.87 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 1.22 0.00 0.00 35 T 8.70 4.58 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 36 G 8.77 3.92 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 0.00 0.00 0.00 37 I 8.73 4.34 1.97 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 1.11 1.19 0.97 0.00 0.00 38 S 7.48 4.64 0.00 3.88 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 4.90 0.00 1.64 1.68 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 40 R 8.35 4.91 0.00 1.82 1.78 0.00 3.28 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 41 R 8.61 4.90 0.00 1.69 1.83 0.00 3.43 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 42 Q 9.65 4.71 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 43 Y 8.49 4.76 0.00 2.84 2.82 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 44 P 0.00 4.67 0.00 2.10 2.58 0.00 4.03 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 45 N 8.60 4.65 0.00 2.62 2.75 0.00 0.00 7.20 7.85 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 46 L 8.34 3.98 0.00 1.58 1.57 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.35 4.41 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 48 K 7.49 4.42 0.00 1.87 0.80 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.50 7.81 49 V 8.92 3.88 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 0.87 0.00 0.00 0.94 0.00 0.00 50 R 8.22 4.54 0.00 1.88 1.82 0.00 3.24 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 51 V 8.71 4.38 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 0.82 0.00 0.00 0.91 0.00 0.00 52 R 8.72 5.06 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 53 V 9.19 4.59 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 0.90 0.00 0.00 0.93 0.00 0.00 54 A 7.82 5.37 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 55 G 8.41 3.78 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 0.00 0.00 0.00 56 Q 7.45 4.39 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 57 E 8.06 4.92 0.00 1.92 1.82 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 2.20 2.25 0.00 58 I 8.90 4.48 1.93 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 1.19 0.80 0.67 0.00 0.00 59 T 8.42 5.02 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 1.22 0.00 0.00 60 F 9.37 4.45 0.00 2.92 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 8.70 4.98 0.00 1.79 1.85 0.00 3.18 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 62 V 8.08 4.50 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 0.79 0.00 0.00 0.92 0.00 0.00 63 A 8.48 4.42 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.91 4.04 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 65 S 7.64 5.61 0.00 4.12 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 0.00 66 H 7.73 4.85 0.00 3.09 3.25 0.00 5.68 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 67 I 8.11 3.60 1.96 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 1.73 0.51 0.97 0.00 0.00 68 P 0.00 4.40 0.00 2.27 2.37 0.00 3.63 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 2.07 2.05 0.00 69 K 7.66 3.79 0.00 1.74 1.91 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.47 7.81 70 V 7.55 3.16 1.66 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 0.06 0.00 0.00 0.48 0.00 0.00 71 Y 7.50 4.04 0.00 3.26 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 72 E 8.05 3.98 0.00 1.98 2.13 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 2.33 2.38 0.00 73 L 7.58 4.09 0.00 1.79 1.69 0.92 0.71 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 74 V 7.82 3.78 2.35 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 1.22 0.00 0.00 0.94 0.00 0.00 75 E 8.13 4.76 0.00 2.02 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 2.37 2.39 0.00 76 R 8.04 4.41 0.00 1.80 1.84 0.00 3.32 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 1.86 1.69 0.00 77 A 8.30 4.43 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 78 K 8.18 4.13 0.00 1.77 1.84 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 79 G 7.93 3.67 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 0.00 0.00 0.00 80 L 7.83 4.36 0.00 1.60 1.57 0.93 0.97 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 81 K 8.48 4.17 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 82 L 8.29 4.03 0.00 1.58 1.61 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.77 4.91 0.00 1.89 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 2.07 2.16 0.00 84 G 8.67 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 0.00 0.00 0.00 0.00 85 L 8.19 3.81 0.00 1.62 1.28 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.67 4.13 0.00 4.16 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 87 P 0.00 4.32 0.00 2.00 2.04 0.00 3.68 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 1.95 1.88 0.00 88 K 8.08 3.90 0.00 1.73 1.95 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.50 7.81 89 E 8.20 4.10 0.00 2.00 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 2.57 2.35 0.00 90 I 7.64 3.85 2.17 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 1.73 1.07 1.18 0.00 0.00 91 K 10.18 4.53 0.00 1.86 1.90 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.69 1.72 7.81 92 K 9.01 4.54 0.00 1.78 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.46 7.81 93 E 8.10 4.35 0.00 2.08 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 2.33 2.25 0.00 94 L 8.14 4.13 0.00 1.93 1.23 1.00 0.90 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 95 L 8.77 4.16 0.00 1.61 1.54 0.92 0.80 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 *96 K 8.62 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.