NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.7409 8.3349 115.5557 58.3780 63.5785 172.7133 16 Q 4.3307 9.3113 126.8718 53.6344 31.0599 173.0886 17 N 5.1253 9.1049 122.0979 52.1381 41.4741 172.9702 18 F 5.0042 9.0132 124.9812 55.3719 42.5032 175.4152 19 L 4.6458 8.6661 120.6164 54.9405 42.3615 176.3047 20 F 4.9718 9.1903 124.4362 56.7947 43.1910 173.6214 21 G 4.2881 6.8566 108.4989 45.7829 0.0000 171.7692 22 C 4.5332 7.3684 112.9950 57.0971 32.6091 172.0909 23 E 4.8510 8.5779 120.3613 54.2955 31.8389 174.8051 24 L 5.1696 8.6911 126.2840 53.1005 45.6197 175.5065 25 K 4.7484 8.9516 119.4203 55.8143 35.6901 176.1944 26 A 3.9958 8.6196 125.2317 55.0216 18.2541 178.5026 27 D 4.8875 7.8451 111.6051 52.9568 40.2097 177.4486 28 K 4.6411 8.2395 121.1129 56.0561 33.7719 175.8247 29 K 4.2671 8.1458 122.3921 57.9275 33.5345 176.5859 30 E 5.3754 8.1179 117.8311 54.5593 33.4689 174.7173 31 Y 4.6615 9.0586 123.1341 55.9437 42.3812 173.7234 32 S 4.9320 7.9623 121.3769 56.6209 64.0484 172.8084 33 F 4.7414 9.3934 131.5675 56.9917 40.2575 174.5898 34 K 4.6984 7.9934 125.1021 54.5948 35.5218 176.7159 35 V 4.1655 7.6318 122.9759 60.1998 33.3556 173.8334 *38 D 4.3621 8.5196 120.7125 55.3691 42.1110 177.0562 39 E 4.2188 8.6677 117.0101 58.6441 30.1468 176.4977 40 N 4.6365 7.6745 115.5488 53.1502 39.6999 174.3707 41 E 4.3261 8.6940 120.2640 56.6259 30.7439 175.5562 42 H 5.5836 8.9548 121.0965 54.2290 31.9042 173.5671 43 Q 4.7051 9.0153 119.6679 54.1622 33.4703 174.0091 44 L 4.3289 8.7811 126.0397 53.6250 43.5197 175.4744 45 S 4.9101 8.9096 123.8586 57.2607 63.4567 172.8908 46 L 4.4917 8.7837 129.0003 54.9138 42.3672 177.1506 47 R 4.4680 9.1436 122.7912 57.6402 31.9512 176.2530 48 T 5.1741 7.7867 106.5071 59.8292 72.9524 172.2681 49 V 5.0930 8.9209 122.6275 61.2431 34.6327 174.4973 50 S 5.2495 9.5591 121.6286 56.6600 66.8148 172.6926 51 L 4.7613 8.7333 122.2529 53.5891 42.8394 177.1612 52 G 4.0661 9.1307 110.8686 45.6595 0.0000 174.5008 53 A 4.1456 8.8315 123.5738 54.7597 18.4147 178.8123 54 S 4.5211 7.9733 107.4012 58.1357 63.6777 174.1499 55 A 4.9919 7.5818 124.4068 51.3060 18.7194 178.1064 56 K 4.1414 8.3960 122.0010 56.7464 32.9099 177.6718 57 D 4.8896 8.3392 122.7935 53.2741 38.5053 174.1160 58 E 4.7922 7.7867 120.0910 53.8906 34.4881 174.9320 59 L 4.5720 8.4715 122.3596 55.5423 42.8466 175.4456 60 H 5.3127 9.9243 125.5062 53.7815 30.7598 174.1279 61 V 4.6855 8.4017 124.0325 61.2406 33.4877 174.3790 62 V 4.8092 8.7568 128.3764 61.2831 33.5815 174.0719 63 E 5.2193 9.6064 128.1176 54.3448 33.0720 174.0261 64 A 5.1294 9.0541 125.7269 49.9862 22.3492 174.8538 65 E 5.2366 8.9748 123.1305 53.9124 32.3798 175.0851 66 G 4.5526 8.3249 113.7128 45.8028 0.0000 170.5699 67 I 5.0528 8.2419 113.2568 59.2911 39.7118 175.9234 68 N 4.8382 9.0433 123.2111 52.0620 38.7344 175.1737 69 Y 4.2249 8.6971 115.1570 59.3022 38.2495 176.0716 70 E 3.9023 7.9719 118.7464 55.7092 29.6781 176.5879 71 G 3.8816 8.0694 106.7039 45.9243 0.0000 173.6853 72 K 4.4366 8.1582 119.5192 54.8903 33.8866 176.4657 73 T 4.4563 8.6453 121.0632 64.5153 68.9878 173.3868 74 I 4.7909 8.9649 119.2096 58.9650 41.6607 174.2263 75 K 5.2116 8.6925 122.3529 54.6453 34.5555 175.5995 76 I 4.7706 8.8388 117.9516 58.7793 41.2986 174.3740 77 A 4.6386 8.5965 126.2754 51.9728 18.3136 177.5131 78 L 4.3404 8.9580 123.9199 57.6082 42.5979 177.6936 79 A 4.4642 7.3759 116.0520 51.2587 22.2981 175.4083 80 S 5.2369 8.8951 116.7682 56.7898 65.5427 173.6972 81 L 5.0297 8.7804 123.6687 53.0392 46.3541 175.5167 82 K 5.0638 8.4153 122.0295 54.2077 35.4100 175.2650 83 P 4.2986 0.0000 0.0000 65.6351 31.4126 177.4231 84 S 4.4850 8.4666 109.9180 58.7433 63.5970 174.0526 85 V 4.1803 7.5202 118.6346 64.2536 33.0685 176.1216 86 Q 4.6110 8.1902 121.8185 54.9544 30.5090 171.9290 87 P 4.5504 0.0000 0.0000 64.2706 32.9145 176.2566 88 T 5.1891 7.7209 115.8385 61.8899 72.8080 173.3597 89 V 4.4087 8.9203 124.5515 61.2174 34.7770 173.9938 90 S 5.0599 8.7823 122.7174 57.5084 62.3892 173.6342 91 L 4.2410 9.1056 126.4924 54.1641 42.8498 178.3562 92 G 3.6305 8.1443 105.6277 46.0546 0.0000 174.2073 93 G 3.9145 7.5221 101.4566 46.4156 0.0000 176.2000 94 F 4.4928 8.4872 121.0874 58.1574 40.0499 174.2590 95 E 4.8735 8.8358 125.7421 55.6484 30.5754 176.1540 96 I 4.6659 8.7595 125.1059 59.6352 40.9730 174.8160 97 T 4.6122 8.6080 123.7588 62.1977 68.9442 173.2024 98 P 4.5767 0.0000 0.0000 61.8482 32.1143 174.1855 99 P 4.9139 0.0000 0.0000 63.0664 32.3268 175.9111 100 V 4.7915 8.9961 120.7249 60.3304 35.3398 173.7876 101 I 4.9261 8.6017 123.8210 59.8104 39.5692 174.4187 102 L 5.0578 8.7978 127.0019 53.4437 43.6086 175.6615 103 R 5.0820 8.9183 123.7167 54.3450 33.8679 173.6032 104 L 4.3941 8.9728 129.3574 55.2028 41.9275 176.4448 105 K 4.5864 9.1829 126.3884 57.4582 33.7488 176.7253 106 S 4.5008 8.0190 112.8229 58.0435 66.1294 175.1484 107 G 3.9548 8.7910 106.2242 45.5244 0.0000 173.9242 108 S 4.0255 8.6507 115.1291 59.0056 63.4046 176.2935 109 G 4.1535 8.2023 110.3333 43.6294 0.0000 170.3495 110 P 4.8262 0.0000 0.0000 62.6227 33.0196 175.4781 111 V 4.6961 8.8259 121.2461 61.3605 34.7247 173.7266 112 Y 5.1070 9.0968 125.0943 56.2039 41.1100 174.8220 113 V 4.9395 8.5680 122.5225 61.1357 34.8910 174.4296 114 S 4.9989 8.7674 121.9758 56.6487 66.2995 174.0591 115 G 4.3288 8.0453 107.8065 46.3435 0.0000 171.8683 116 Q 5.1528 8.4136 119.6397 54.4484 33.4876 174.5251 117 H 5.1698 9.5570 123.2846 54.8780 31.4350 173.0595 118 L 5.2924 8.9692 127.0827 53.5254 44.0070 176.2860 119 V 4.7765 8.8491 122.1435 61.4108 34.5445 175.0546 120 A 4.6382 8.7829 131.1484 50.8862 21.1480 177.1285 121 L 4.2612 8.2683 116.6530 55.1723 42.1132 176.8437 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 15 S 8.33 4.74 0.00 3.91 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 16 Q 9.31 4.33 0.00 2.20 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 17 N 9.10 5.13 0.00 2.61 2.57 0.00 0.00 6.91 7.02 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 18 F 9.01 5.00 0.00 3.17 3.04 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 0.00 0.00 0.00 19 L 8.67 4.65 0.00 1.63 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.19 4.97 0.00 3.21 2.97 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 21 G 6.86 4.29 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 22 C 7.37 4.53 0.00 2.48 1.85 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 23 E 8.58 4.85 0.00 1.83 1.72 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 1.86 1.47 0.00 24 L 8.69 5.17 0.00 1.48 1.48 0.93 0.77 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 25 K 8.95 4.75 0.00 1.76 1.77 0.00 1.37 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.52 7.81 26 A 8.62 4.00 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 27 D 7.85 4.89 0.00 2.77 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 28 K 8.24 4.64 0.00 1.68 1.66 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.57 7.81 29 K 8.15 4.27 0.00 1.76 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.56 7.81 30 E 8.12 5.38 0.00 1.81 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 2.21 2.27 0.00 31 Y 9.06 4.66 0.00 3.08 2.86 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 0.00 0.00 0.00 32 S 7.96 4.93 0.00 3.80 3.55 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 0.00 0.00 0.00 33 F 9.39 4.74 0.00 3.26 3.02 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 34 K 7.99 4.70 0.00 1.42 1.45 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.29 7.81 35 V 7.63 4.17 1.70 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 0.56 0.00 0.00 0.53 0.00 0.00 *38 D 8.52 4.36 0.00 2.76 2.77 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 39 E 8.67 4.22 0.00 2.03 1.83 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 2.20 1.89 0.00 40 N 7.67 4.64 0.00 2.83 2.90 0.00 0.00 7.20 8.72 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 41 E 8.69 4.33 0.00 1.94 1.90 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 2.42 2.36 0.00 42 H 8.95 5.58 0.00 3.04 3.29 0.00 5.64 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 43 Q 9.02 4.71 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 44 L 8.78 4.33 0.00 0.56 1.16 -0.80 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.91 4.91 0.00 3.93 3.76 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 46 L 8.78 4.49 0.00 1.59 1.56 0.68 0.65 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 47 R 9.14 4.47 0.00 1.90 1.97 0.00 3.25 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 48 T 7.79 5.17 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 1.22 0.00 0.00 49 V 8.92 5.09 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 1.11 0.00 0.00 0.95 0.00 0.00 50 S 9.56 5.25 0.00 3.86 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 0.00 51 L 8.73 4.76 0.00 1.53 1.60 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.13 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.83 4.15 1.30 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 0.00 0.00 54 S 7.97 4.52 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 4.99 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 56 K 8.40 4.14 0.00 1.86 1.78 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 57 D 8.34 4.89 0.00 2.69 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 58 E 7.79 4.79 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 2.36 2.17 0.00 59 L 8.47 4.57 0.00 1.69 1.63 0.94 1.02 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 60 H 9.92 5.31 0.00 2.99 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.40 4.69 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 0.91 0.00 0.00 0.94 0.00 0.00 62 V 8.76 4.81 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 0.95 0.00 0.00 0.94 0.00 0.00 63 E 9.61 5.22 0.00 2.03 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 2.20 2.23 0.00 64 A 9.05 5.13 1.10 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 0.00 0.00 65 E 8.97 5.24 0.00 1.99 1.80 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 2.19 2.19 0.00 66 G 8.32 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.24 5.05 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.92 0.00 0.00 68 N 9.04 4.84 0.00 3.07 3.10 0.00 0.00 6.68 7.33 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 69 Y 8.70 4.22 0.00 3.09 3.08 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 0.00 0.00 0.00 70 E 7.97 3.90 0.00 1.85 1.77 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 1.47 1.47 0.00 71 G 8.07 3.88 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 0.00 0.00 0.00 72 K 8.16 4.44 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.53 7.81 73 T 8.65 4.46 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 74 I 8.96 4.79 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 1.38 0.78 0.94 0.00 0.00 75 K 8.69 5.21 0.00 1.63 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 I 8.84 4.77 1.95 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 1.37 1.15 0.97 0.00 0.00 77 A 8.60 4.64 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 78 L 8.96 4.34 0.00 1.65 1.75 0.83 0.61 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 79 A 7.38 4.46 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 80 S 8.90 5.24 0.00 3.74 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 81 L 8.78 5.03 0.00 1.62 1.60 0.99 0.67 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 82 K 8.42 5.06 0.00 1.80 1.60 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.49 1.41 7.81 83 P 0.00 4.30 0.00 2.19 2.11 0.00 3.92 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 2.20 2.08 0.00 84 S 8.47 4.48 0.00 3.98 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 85 V 7.52 4.18 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.19 4.61 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 87 P 0.00 4.55 0.00 2.16 2.29 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 88 T 7.72 5.19 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 1.26 0.00 0.00 89 V 8.92 4.41 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 1.05 0.00 0.00 0.95 0.00 0.00 90 S 8.78 5.06 0.00 3.93 3.75 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 91 L 9.11 4.24 0.00 1.94 1.88 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.14 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 93 G 7.52 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 0.00 0.00 0.00 94 F 8.49 4.49 0.00 3.19 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.84 4.87 0.00 1.97 1.92 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 2.32 2.53 0.00 96 I 8.76 4.67 1.71 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.72 0.87 0.00 0.00 97 T 8.61 4.61 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 1.25 0.00 0.00 98 P 0.00 4.58 0.00 2.13 2.29 0.00 3.94 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 99 P 0.00 4.91 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 100 V 9.00 4.79 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 0.80 0.00 0.00 0.93 0.00 0.00 101 I 8.60 4.93 1.88 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 1.21 0.87 1.02 0.00 0.00 102 L 8.80 5.06 0.00 1.77 1.65 1.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.92 5.08 0.00 1.84 1.71 0.00 3.36 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 104 L 8.97 4.39 0.00 1.81 1.57 0.97 0.68 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 0.00 105 K 9.18 4.59 0.00 1.74 1.84 0.00 1.80 0.00 0.00 2.08 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.52 7.81 106 S 8.02 4.50 0.00 3.82 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 0.00 107 G 8.79 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.65 4.03 0.00 4.05 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 0.00 109 G 8.20 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.83 0.00 1.74 2.13 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 111 V 8.83 4.70 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 0.85 0.00 0.00 0.88 0.00 0.00 112 Y 9.10 5.11 0.00 2.93 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 0.00 113 V 8.57 4.94 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 1.07 0.00 0.00 0.93 0.00 0.00 114 S 8.77 5.00 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 0.00 115 G 8.05 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 0.00 0.00 0.00 0.00 116 Q 8.41 5.15 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 117 H 9.56 5.17 0.00 3.35 3.44 0.00 5.57 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.97 5.29 0.00 1.69 1.62 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.85 4.78 2.22 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 0.89 0.00 0.00 1.13 0.00 0.00 120 A 8.78 4.64 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 0.00 121 L 8.27 4.26 0.00 1.63 1.57 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.