NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.0626 8.2993 120.1353 56.0849 34.5923 175.9183 *10 E 4.0808 7.8022 118.1433 55.6541 31.2306 175.8423 11 L 4.0272 8.3889 125.0755 58.4704 42.3373 178.8912 12 Q 4.1125 8.0594 118.9502 58.9413 29.1028 177.4992 13 Q 3.9357 8.0830 120.2502 59.1275 29.1880 177.5768 14 F 4.1052 8.0990 121.1767 61.6959 39.3540 177.2086 15 L 4.0940 8.6024 118.6843 57.7739 41.3898 179.3486 16 D 4.3003 8.8677 119.1022 57.1739 40.8096 178.4938 17 A 3.8933 8.3398 121.6691 55.1451 18.1647 179.2556 18 L 3.6826 7.8876 117.4712 58.3709 42.1085 178.8496 19 A 4.1371 7.8009 119.5676 54.9734 18.3540 179.6726 20 S 4.2851 8.3821 113.2588 60.8860 64.6121 175.6302 21 S 4.9057 8.7684 115.7698 55.4691 63.9602 172.9463 22 P 4.2187 0.0000 0.0000 65.7072 31.2631 179.1422 23 E 4.1051 8.3477 116.3367 58.1209 29.3292 178.0906 24 K 4.3751 7.9684 117.9398 56.5156 32.9451 176.8176 25 I 4.1698 7.6235 113.2161 60.3075 38.6772 174.7365 26 E 4.7695 8.3397 120.0258 53.8341 33.3064 176.6720 27 F 4.4009 9.3641 125.4207 60.9733 39.0967 177.4893 28 E 4.0510 8.2260 115.3026 59.2052 29.8112 178.4083 29 T 4.0709 8.0366 114.5829 64.8847 67.2851 176.6975 30 T 3.2973 7.1779 112.9761 63.8227 67.9711 175.8989 *32 A 4.0541 7.8844 124.9090 52.2684 20.7564 179.8667 33 V 3.4569 7.3800 114.8565 66.2677 31.3377 178.3772 34 I 3.8698 7.3422 119.3562 64.4601 36.6894 178.3477 35 E 3.9868 7.8415 117.7287 59.1322 29.4401 178.1519 36 D 4.6224 7.8923 116.3759 55.1931 41.4488 176.3736 37 N 4.8805 7.9193 113.5144 52.3322 41.4359 173.5589 38 Y 5.2682 8.1347 115.2180 56.1438 42.3318 174.5963 39 D 4.8796 9.7457 123.0631 53.2230 42.5886 175.4607 40 F 5.1973 8.8983 126.1717 57.5061 41.1892 174.9889 41 T 4.2592 7.9555 121.5778 60.7753 72.1080 171.6628 42 P 4.3912 0.0000 0.0000 63.1112 31.9150 175.7276 43 A 4.8821 8.5500 123.6041 50.0386 22.9715 175.2696 44 A 4.4386 8.7537 122.6615 52.2970 20.1426 176.4337 45 F 5.1872 8.8944 113.9939 56.0128 41.6092 173.2305 46 T 4.6183 8.5345 110.7700 60.2270 72.0790 173.3584 47 N 4.6755 9.3299 122.2630 54.0237 41.4998 177.8552 48 G 3.8076 8.7464 115.6828 45.7339 0.0000 173.4743 49 N 4.4489 5.7700 122.3917 55.2287 39.7557 175.5813 50 T 4.3911 8.0836 108.7858 60.2179 70.5059 173.1323 51 Q 4.6058 8.1931 123.2681 54.3108 31.9520 173.8925 52 N 5.0539 8.5875 123.6562 51.4744 41.6162 174.5032 53 D 5.0691 9.0728 123.4590 53.0927 42.8316 175.8334 54 A 4.4317 8.3779 121.9412 53.2682 18.7968 177.2807 55 N 4.8116 9.0226 115.7745 53.2309 36.3657 173.5768 56 E 4.6648 8.0485 118.4453 55.6450 31.9206 175.2700 57 N 4.3253 8.9047 121.9249 54.0311 36.6641 176.0851 58 N 4.4885 8.5954 116.9021 56.7243 38.6115 176.7407 59 G 3.7146 8.1610 106.5049 47.9065 0.0000 175.7245 60 S 4.2420 8.3030 117.6391 61.4071 63.0215 175.9241 61 C 3.6066 8.3593 121.2364 62.5478 31.1866 175.7720 62 K 3.8993 8.2417 119.9887 59.5799 31.6611 179.3111 63 I 3.4599 7.3298 119.6901 64.3384 36.7760 178.4591 64 F 4.5397 7.7514 118.5918 60.7965 38.7796 177.6962 65 A 3.5950 8.2534 120.3443 54.9313 18.1117 179.5084 66 F 3.9180 8.6123 119.7804 61.1318 39.3993 177.4982 67 G 3.9333 9.0878 105.1400 46.7845 0.0000 175.6554 68 L 3.4749 7.4042 121.5045 57.1912 41.7016 178.9888 69 L 3.8051 7.4971 117.5348 57.6112 41.5957 177.8684 70 N 4.4421 7.8144 112.5966 51.9955 38.5614 174.6001 71 A 3.5578 7.2260 119.6953 52.5939 16.8511 177.9370 72 L 4.1716 7.8268 119.7387 55.8855 42.5519 178.2608 73 D 4.8944 8.6209 122.9402 52.6505 41.8398 177.2432 74 K 3.8895 8.9131 120.5523 60.1329 31.9974 178.4621 75 E 3.9997 8.3702 117.8023 59.4012 29.5636 179.0007 76 A 4.1962 8.4018 120.3371 55.0904 18.3220 179.8444 77 T 4.0439 7.9685 113.9607 66.8212 68.6873 176.6023 78 L 4.2992 7.9944 120.3041 57.3359 41.5269 179.2086 79 A 4.1788 8.0014 121.0489 55.2940 18.2985 179.1462 80 C 4.0939 8.0966 114.9318 63.2134 27.7237 175.9831 81 F 4.8338 8.1951 116.0913 57.5077 38.6631 176.9050 82 G 4.1840 9.1231 110.3139 46.1249 0.0000 177.4049 83 R 3.9142 8.4994 122.7288 58.8969 29.5701 178.0900 84 F 4.4003 7.5670 116.8641 60.0627 38.6929 176.7652 85 Y 4.3794 8.2249 119.3033 60.4634 38.7896 177.7407 86 R 3.5275 7.9917 117.1057 58.2811 30.0850 177.5189 87 E 4.3780 8.5302 117.1212 58.2158 30.5260 177.9913 88 D 4.3298 8.0179 117.1803 57.2676 41.3829 178.3823 89 V 4.0114 7.4270 117.9938 65.1448 31.8592 177.7695 90 L 3.8590 7.7724 119.4038 57.8279 41.9610 177.8214 91 L 4.1652 7.1243 116.1351 56.2237 42.1134 176.9719 92 H 4.9301 7.8980 116.2047 52.9085 29.0916 172.0404 93 P 4.3143 0.0000 0.0000 65.4234 31.7526 178.6232 94 E 4.0817 8.1132 116.5854 57.8398 29.6598 176.3317 95 N 4.8304 7.5487 116.4610 52.4641 40.0096 174.5515 96 N 4.9718 8.2426 112.1705 53.1408 40.6983 174.1002 97 D 4.0056 8.2293 116.6953 56.2015 42.2705 176.5786 98 H 4.0234 8.6652 121.9265 56.9802 26.0276 175.6313 99 Q 4.0641 7.6318 119.2581 58.8735 29.0882 178.3970 100 N 4.4645 8.1432 117.3906 56.2216 38.3856 177.3336 101 I 3.5191 7.4703 120.2865 64.4415 37.3473 178.2950 102 R 4.1223 7.9080 116.9320 59.4479 30.1510 178.4624 103 N 4.5495 8.6845 116.7166 55.9033 38.6029 178.0994 104 F 4.5643 8.1496 122.2505 58.2956 39.2720 177.3107 *106 V 3.9325 7.8093 116.2547 62.1567 32.8956 176.0157 107 T 4.1786 8.4212 109.0333 60.7665 70.4974 176.0992 108 G 3.2886 7.9746 112.1275 45.4173 0.0000 174.8378 109 W 4.7218 8.5029 117.1442 59.9374 29.4561 178.1109 110 E 4.1132 8.5627 117.1147 59.2095 29.2706 178.2202 111 G 3.8211 8.1114 106.1970 46.6924 0.0000 173.5165 112 I 4.4165 7.5154 121.5077 61.0870 38.0915 175.6319 113 Q 4.5384 8.6975 125.6717 55.4474 31.8332 173.2482 114 F 4.6581 9.1282 126.2552 57.5334 39.3114 176.0046 115 E 4.4361 9.3546 123.2355 59.1456 29.9946 176.8906 116 T 4.6397 7.7660 106.6957 59.9350 71.6522 172.9707 117 S 4.0260 8.5275 117.1511 58.4125 62.8985 173.5601 118 A 5.0126 8.1669 128.7504 52.7145 20.1977 176.6300 119 L 5.4364 7.5690 113.1900 53.4227 45.9896 176.3626 120 T 4.8578 8.7642 110.8252 59.6694 72.4048 173.0895 121 A 4.3382 8.9314 126.5837 52.0921 19.2305 177.4472 122 K 4.1722 8.4707 120.6153 56.6591 31.7416 177.1580 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 K 8.30 4.06 0.00 1.73 1.89 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 *10 E 7.80 4.08 0.00 2.18 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 2.29 2.33 0.00 11 L 8.39 4.03 0.00 1.78 1.74 1.32 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.06 4.11 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 13 Q 8.08 3.94 0.00 2.19 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.61 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 14 F 8.10 4.11 0.00 3.12 3.36 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 15 L 8.60 4.09 0.00 1.91 1.76 1.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.87 4.30 0.00 2.91 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 17 A 8.34 3.89 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 18 L 7.89 3.68 0.00 1.33 1.75 0.98 1.28 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 19 A 7.80 4.14 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 20 S 8.38 4.29 0.00 4.00 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 21 S 8.77 4.91 0.00 3.74 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.22 0.00 2.27 2.34 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 23 E 8.35 4.11 0.00 2.16 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 0.00 2.38 2.31 0.00 24 K 7.97 4.38 0.00 1.89 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.35 7.81 25 I 7.62 4.17 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 1.41 1.17 0.73 0.00 0.00 26 E 8.34 4.77 0.00 2.01 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 0.00 2.46 2.21 0.00 27 F 9.36 4.40 0.00 3.45 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.05 0.00 2.17 2.17 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 2.30 2.33 0.00 29 T 8.04 4.07 4.28 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 1.39 0.00 0.00 30 T 7.18 3.30 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 0.74 0.00 0.00 *32 A 7.88 4.05 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 33 V 7.38 3.46 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 0.82 0.00 0.00 0.03 0.00 0.00 34 I 7.34 3.87 1.49 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.11 0.77 0.00 0.00 35 E 7.84 3.99 0.00 1.93 1.94 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 2.15 2.20 0.00 36 D 7.89 4.62 0.00 2.70 2.63 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 37 N 7.92 4.88 0.00 2.45 2.22 0.00 0.00 6.67 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 38 Y 8.13 5.27 0.00 2.98 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 39 D 9.75 4.88 0.00 2.53 2.63 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 40 F 8.90 5.20 0.00 2.98 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 41 T 7.96 4.26 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 1.09 0.00 0.00 42 P 0.00 4.39 0.00 1.91 2.27 0.00 3.46 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 43 A 8.55 4.88 1.44 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 44 A 8.75 4.44 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 45 F 8.89 5.19 0.00 2.49 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 0.00 0.00 0.00 0.00 46 T 8.53 4.62 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 1.14 0.00 0.00 47 N 9.33 4.68 0.00 2.59 2.57 0.00 0.00 7.54 7.86 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 48 G 8.75 3.81 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 0.00 0.00 0.00 49 N 5.77 4.45 0.00 2.90 2.85 0.00 0.00 7.03 8.78 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 50 T 8.08 4.39 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 1.15 0.00 0.00 51 Q 8.19 4.61 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 52 N 8.59 5.05 0.00 1.91 2.69 0.00 0.00 6.72 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 53 D 9.07 5.07 0.00 2.62 2.61 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 0.00 0.00 0.00 0.00 54 A 8.38 4.43 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 N 9.02 4.81 0.00 2.97 3.02 0.00 0.00 7.01 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 E 8.05 4.66 0.00 1.96 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 2.21 2.25 0.00 57 N 8.90 4.33 0.00 3.16 3.02 0.00 0.00 7.10 6.92 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 58 N 8.60 4.49 0.00 2.76 2.79 0.00 0.00 6.88 7.71 0.00 0.00 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 G 8.16 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.24 0.00 4.50 4.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 3.61 0.00 3.37 3.31 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 62 K 8.24 3.90 0.00 1.80 1.55 0.00 1.43 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.09 7.81 63 I 7.33 3.46 0.82 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.13 0.27 0.00 0.00 64 F 7.75 4.54 0.00 3.13 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 3.92 0.00 2.79 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 67 G 9.09 3.93 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 0.00 0.00 0.00 68 L 7.40 3.47 0.00 1.61 1.46 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.50 3.81 0.00 1.33 1.59 0.79 0.69 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 70 N 7.81 4.44 0.00 2.31 2.56 0.00 0.00 7.17 6.63 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 71 A 7.23 3.56 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.17 0.00 1.92 1.87 1.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.62 4.89 0.00 3.08 2.90 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 0.00 74 K 8.91 3.89 0.00 1.75 1.87 0.00 1.12 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.03 7.81 75 E 8.37 4.00 0.00 2.16 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 2.45 2.47 0.00 76 A 8.40 4.20 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 77 T 7.97 4.04 4.82 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 1.02 0.00 0.00 78 L 7.99 4.30 0.00 1.41 0.38 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.00 4.18 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 80 C 8.10 4.09 0.00 3.01 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 81 F 8.20 4.83 0.00 3.45 3.32 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 82 G 9.12 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 0.00 0.00 0.00 0.00 83 R 8.50 3.91 0.00 1.53 1.84 0.00 3.01 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 84 F 7.57 4.40 0.00 3.29 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 85 Y 8.22 4.38 0.00 3.23 3.35 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 86 R 7.99 3.53 0.00 1.95 1.92 0.00 3.29 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 87 E 8.53 4.38 0.00 2.01 1.94 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 2.20 2.27 0.00 88 D 8.02 4.33 0.00 2.97 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 89 V 7.43 4.01 2.37 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 1.11 0.00 0.00 1.09 0.00 0.00 90 L 7.77 3.86 0.00 1.37 1.50 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.12 4.17 0.00 1.46 1.40 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 H 7.90 4.93 0.00 3.35 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.31 0.00 2.18 2.19 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 94 E 8.11 4.08 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 2.31 2.33 0.00 95 N 7.55 4.83 0.00 2.82 2.75 0.00 0.00 6.71 8.82 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 96 N 8.24 4.97 0.00 2.60 2.71 0.00 0.00 6.78 8.06 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 97 D 8.23 4.01 0.00 2.60 2.60 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 0.00 0.00 0.00 0.00 98 H 8.67 4.02 0.00 3.31 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.63 4.06 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 100 N 8.14 4.46 0.00 2.85 3.25 0.00 0.00 7.19 7.32 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 0.00 101 I 7.47 3.52 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.14 0.99 0.00 0.00 102 R 7.91 4.12 0.00 1.79 2.01 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 103 N 8.68 4.55 0.00 2.88 3.07 0.00 0.00 6.66 7.88 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 0.00 104 F 8.15 4.56 0.00 3.18 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 *106 V 7.81 3.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 107 T 8.42 4.18 4.23 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 1.20 0.00 0.00 108 G 7.97 3.29 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 0.00 109 W 8.50 4.72 0.00 3.51 3.29 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 0.00 110 E 8.56 4.11 0.00 2.00 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 0.00 2.39 2.42 0.00 111 G 8.11 3.82 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 0.00 0.00 0.00 112 I 7.52 4.42 2.41 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 1.45 0.79 1.25 0.00 0.00 113 Q 8.70 4.54 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 114 F 9.13 4.66 0.00 3.05 3.29 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 0.00 115 E 9.35 4.44 0.00 2.05 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 2.38 2.29 0.00 116 T 7.77 4.64 4.27 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 1.25 0.00 0.00 117 S 8.53 4.03 0.00 3.80 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 0.00 118 A 8.17 5.01 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 0.00 119 L 7.57 5.44 0.00 1.26 1.39 0.54 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.76 4.86 4.28 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 1.21 0.00 0.00 121 A 8.93 4.34 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 0.00 122 K 8.47 4.17 0.00 1.56 1.69 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.