NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.6513 8.2448 119.0878 55.3609 30.3026 174.8640 7 E 3.9722 8.5048 121.0467 54.8543 30.3884 176.5785 8 S 4.2857 9.2363 120.0878 61.0781 65.0837 173.5185 9 A 5.2293 7.7584 119.7238 49.9030 22.3087 175.2016 10 L 4.7740 8.8540 119.3425 53.5412 46.7438 175.2638 11 T 5.0812 8.5262 118.3853 62.3264 71.6330 173.1089 12 T 4.7809 9.0792 120.3183 60.7331 71.5171 172.1266 13 S 5.2004 8.3744 114.6562 55.8971 67.7247 172.2616 14 P 4.5191 0.0000 0.0000 64.6261 31.7228 177.1161 15 G 3.9185 9.6847 112.5696 45.3428 0.0000 173.2056 16 E 4.7025 7.9646 119.4483 56.3391 31.3649 175.4561 17 T 5.5222 8.4728 116.6934 61.1866 70.9748 174.6529 18 V 4.5295 8.0386 123.6775 60.3276 35.3150 173.9412 19 T 4.8859 8.4017 118.5750 61.8318 71.3926 173.1509 20 L 4.8652 9.3014 127.3018 53.2423 44.1160 175.6815 21 T 5.2796 9.2843 112.1665 60.3149 72.7700 172.5217 22 C 4.7136 9.6729 122.4739 55.1140 45.6108 173.0571 23 R 4.8014 8.4821 125.6823 55.1753 31.3359 174.9841 24 S 4.7819 8.3806 116.1535 56.4181 65.4329 173.9671 25 S 4.4972 8.5401 118.8680 59.6008 63.7422 175.4854 26 T 4.1624 8.0181 111.2000 61.9685 69.7490 175.6995 27 G 3.8880 7.3569 108.0579 45.6799 0.0000 171.2053 28 A 4.1439 8.1199 125.9856 51.6514 19.2159 177.5978 29 V 3.9057 8.2896 122.4427 62.8422 32.3285 175.3325 30 T 4.6804 8.3991 116.4896 59.3780 71.7363 174.9605 31 T 3.7948 8.1627 110.7478 64.1011 68.7682 176.0983 32 S 3.6880 7.3124 115.2017 59.6277 63.1604 174.5057 33 N 4.4456 7.7673 117.8293 53.3836 39.3208 174.3902 34 Y 3.6905 6.9991 115.5814 57.9118 35.9943 172.0149 35 A 3.9089 7.7981 120.3693 53.2351 19.5096 177.0315 36 N 5.4636 8.4068 118.5417 51.2177 42.9274 173.5742 37 W 5.4719 9.3941 120.7382 55.1097 33.1182 174.5385 38 V 4.9528 10.6456 124.4833 61.1457 34.5627 173.6846 39 Q 4.6233 9.1221 129.4584 54.5196 31.0066 173.4847 40 E 4.4088 9.0332 128.2734 54.4379 31.3968 174.8330 41 K 4.6797 8.6272 127.1047 53.8830 34.6266 174.7053 42 P 4.3077 0.0000 0.0000 64.1426 31.9419 175.5735 43 D 4.4308 8.8138 117.0018 54.8494 39.5117 173.7111 44 H 3.8630 8.1392 110.4979 56.7593 26.0191 176.3199 45 L 4.5903 7.8208 120.1749 53.2831 42.7671 177.7362 46 F 4.9273 8.6678 122.2587 57.5232 40.4997 175.3319 47 T 4.6613 8.6356 115.7143 62.4854 73.3947 173.1382 48 G 3.8414 8.6944 112.3245 46.1092 0.0000 171.7038 49 L 4.7069 9.1048 122.6776 54.9473 44.3680 177.2609 50 I 4.5694 7.0075 116.3828 58.7815 41.3938 175.4010 *52 G 3.9747 8.7793 111.0063 45.8985 0.0000 173.4319 *54 N 4.8658 7.7145 115.4595 51.4150 38.9010 173.9072 55 N 4.6624 7.9557 117.4847 52.5021 38.6846 175.1480 56 R 4.6271 8.3964 122.8138 55.6684 32.1163 175.3106 57 A 4.9086 8.1923 119.0270 49.4433 22.8013 174.1118 58 P 4.3403 0.0000 0.0000 64.3306 31.6363 175.5726 59 G 4.1979 9.1540 115.4656 45.8241 0.0000 173.8423 60 V 3.5702 7.1795 121.8599 61.6905 31.1276 173.6931 61 P 4.2966 0.0000 0.0000 63.3264 31.2406 176.7896 62 A 4.3488 8.5761 121.7655 53.4247 18.5205 178.1951 63 R 4.1635 7.9036 112.8659 57.0996 30.9983 175.7688 64 F 4.9489 7.8502 119.9951 56.0643 40.2765 175.4464 65 S 4.7190 8.9272 118.6133 56.2916 66.2596 173.1385 66 G 4.4092 8.7254 110.2123 44.6039 0.0000 172.1058 67 S 4.9911 8.7796 119.8316 56.8783 67.5922 172.5096 68 L 4.7241 8.0344 118.9928 53.5626 42.1531 177.2998 69 I 4.2917 8.3512 126.3102 59.9389 38.9835 177.4684 70 G 3.9366 8.3433 118.0506 47.0054 0.0000 173.7374 71 N 5.1123 8.7911 117.2500 51.3250 39.1086 173.9897 72 K 4.7635 7.7051 115.4330 55.0144 37.7209 176.8846 73 A 4.6560 8.7701 125.2193 52.1396 19.9178 176.4554 74 A 5.2298 8.9955 120.8161 50.1776 23.3068 174.9415 75 L 4.2143 8.6301 123.2957 53.2838 44.5093 175.1971 76 T 4.9055 8.5496 123.5296 61.7229 71.7905 173.4469 77 I 4.1544 8.3779 127.6333 59.9463 38.8046 175.4505 78 T 3.8035 8.1946 126.0775 63.3950 68.1458 175.2303 79 G 3.7676 8.3002 116.7026 44.4855 0.0000 172.0250 80 A 3.8953 8.4940 122.8552 52.7652 19.6709 177.3418 81 Q 4.9246 9.4619 120.6754 54.0084 31.9145 177.1419 82 T 3.8758 8.6461 117.0535 67.0094 68.4482 176.3421 83 E 4.2106 8.1278 115.6895 58.0488 29.5506 177.0479 84 D 4.7450 8.1694 119.4299 55.5292 41.3653 176.1224 85 E 4.2686 8.2404 121.4784 56.9089 30.1511 175.8888 86 A 4.2618 8.3057 126.8545 52.1463 24.2802 173.9983 87 I 4.7619 7.5676 118.8887 60.2050 39.4106 174.9916 88 Y 5.1113 8.9686 125.2389 56.3988 40.0168 174.5856 89 F 5.3499 9.7820 124.1256 56.0335 40.9705 174.3430 90 C 4.4762 8.4517 116.5098 55.3808 42.7544 174.1444 *103 G 2.7764 7.7020 107.4754 45.0356 0.0000 171.6550 104 T 4.8977 8.2395 117.8423 60.4003 71.6219 173.6003 105 K 4.4601 9.1004 129.1009 55.7782 32.8903 174.9271 106 L 4.9297 9.1960 131.4550 54.3381 43.5971 175.1318 107 T 4.8050 9.0643 124.2349 62.2450 70.5906 174.1865 108 V 4.6213 9.1849 127.5550 60.8804 32.0173 175.1825 109 L 4.2461 8.5282 128.3529 54.9828 41.5698 176.2276 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 6 Q 8.24 4.65 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 7 E 8.50 3.97 0.00 2.19 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 2.42 2.45 0.00 8 S 9.24 4.29 0.00 3.91 4.12 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 0.00 0.00 0.00 0.00 9 A 7.76 5.23 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 10 L 8.85 4.77 0.00 1.58 1.49 0.91 0.62 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 11 T 8.53 5.08 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 1.25 0.00 0.00 12 T 9.08 4.78 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 1.18 0.00 0.00 13 S 8.37 5.20 0.00 3.93 3.65 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 14 P 0.00 4.52 0.00 2.02 2.00 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 15 G 9.68 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 16 E 7.96 4.70 0.00 1.98 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 2.29 2.33 0.00 17 T 8.47 5.52 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 18 V 8.04 4.53 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 19 T 8.40 4.89 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 1.14 0.00 0.00 20 L 9.30 4.87 0.00 1.28 1.62 0.73 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.28 5.28 4.33 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 1.25 0.00 0.00 22 C 9.67 4.71 0.00 2.72 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 23 R 8.48 4.80 0.00 1.89 1.82 0.00 3.24 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 24 S 8.38 4.78 0.00 3.80 3.80 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 25 S 8.54 4.50 0.00 4.01 3.97 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 26 T 8.02 4.16 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 G 7.36 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 0.00 0.00 0.00 28 A 8.12 4.14 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 29 V 8.29 3.91 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 0.90 0.00 0.00 0.98 0.00 0.00 30 T 8.40 4.68 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 31 T 8.16 3.79 4.13 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 1.19 0.00 0.00 32 S 7.31 3.69 0.00 3.89 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 33 N 7.77 4.45 0.00 2.84 2.87 0.00 0.00 7.22 7.06 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 34 Y 7.00 3.69 0.00 3.06 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 35 A 7.80 3.91 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 36 N 8.41 5.46 0.00 2.58 2.66 0.00 0.00 6.90 7.68 0.00 0.00 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 W 9.39 5.47 0.00 3.30 3.23 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 0.00 38 V 10.65 4.95 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 1.25 0.00 0.00 0.99 0.00 0.00 39 Q 9.12 4.62 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 1.92 1.31 0.00 40 E 9.03 4.41 0.00 1.16 1.55 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 1.72 1.47 0.00 41 K 8.63 4.68 0.00 1.61 1.63 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.49 7.81 42 P 0.00 4.31 0.00 2.01 2.01 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 43 D 8.81 4.43 0.00 2.80 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 44 H 8.14 3.86 0.00 3.29 3.41 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.82 4.59 0.00 1.51 1.59 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.67 4.93 0.00 2.88 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 47 T 8.64 4.66 4.22 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 1.20 0.00 0.00 48 G 8.69 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 49 L 9.10 4.71 0.00 1.87 1.48 0.64 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.01 4.57 2.09 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 1.32 1.30 1.16 0.00 0.00 *52 G 8.78 3.97 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 0.00 0.00 0.00 *54 N 7.71 4.87 0.00 2.86 3.20 0.00 0.00 6.38 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 55 N 7.96 4.66 0.00 2.91 2.85 0.00 0.00 7.08 7.66 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 56 R 8.40 4.63 0.00 1.75 1.95 0.00 3.55 0.00 0.00 3.57 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 57 A 8.19 4.91 1.23 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 0.00 0.00 0.00 58 P 0.00 4.34 0.00 1.96 2.01 0.00 3.68 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 2.04 2.11 0.00 59 G 9.15 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 0.00 0.00 0.00 0.00 60 V 7.18 3.57 2.39 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 0.81 0.00 0.00 1.03 0.00 0.00 61 P 0.00 4.30 0.00 2.41 2.32 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.29 0.00 62 A 8.58 4.35 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 63 R 7.90 4.16 0.00 1.91 2.08 0.00 2.81 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.00 64 F 7.85 4.95 0.00 2.93 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 65 S 8.93 4.72 0.00 3.81 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 66 G 8.73 4.41 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 0.00 67 S 8.78 4.99 0.00 3.88 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 68 L 8.03 4.72 0.00 1.66 1.68 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.35 4.29 1.89 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 1.24 1.20 0.91 0.00 0.00 70 G 8.34 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 0.00 0.00 0.00 71 N 8.79 5.11 0.00 2.68 2.79 0.00 0.00 6.57 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 72 K 7.71 4.76 0.00 1.70 1.71 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 73 A 8.77 4.66 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 74 A 9.00 5.23 1.21 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 0.00 0.00 75 L 8.63 4.21 0.00 0.27 0.13 0.72 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.55 4.91 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 1.13 0.00 0.00 77 I 8.38 4.15 1.59 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.86 0.44 0.00 0.00 78 T 8.19 3.80 4.13 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 1.14 0.00 0.00 79 G 8.30 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.49 3.90 1.21 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 0.00 0.00 81 Q 9.46 4.92 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 82 T 8.65 3.88 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 83 E 8.13 4.21 0.00 2.11 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 2.34 0.00 84 D 8.17 4.74 0.00 2.95 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 85 E 8.24 4.27 0.00 2.04 1.91 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 2.35 2.61 0.00 86 A 8.31 4.26 1.03 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 87 I 7.57 4.76 1.81 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 1.18 0.52 0.57 0.00 0.00 88 Y 8.97 5.11 0.00 3.05 3.20 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 89 F 9.78 5.35 0.00 3.12 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 90 C 8.45 4.48 0.00 1.62 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 G 7.70 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 0.00 0.00 0.00 104 T 8.24 4.90 4.36 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 1.28 0.00 0.00 105 K 9.10 4.46 0.00 1.82 1.83 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.39 7.81 106 L 9.20 4.93 0.00 1.91 1.98 0.93 0.63 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 0.00 107 T 9.06 4.80 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 1.29 0.00 0.00 108 V 9.18 4.62 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 0.77 0.00 0.00 1.00 0.00 0.00 109 L 8.53 4.25 0.00 1.70 1.52 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.