NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.5934 8.3349 115.5530 58.4023 63.9131 172.4051 16 Q 4.4194 9.0396 122.5296 53.2875 31.4156 173.1367 17 N 5.1025 8.7854 121.3220 51.9706 41.9891 172.9256 18 F 5.0205 9.0841 124.2627 55.3336 43.3594 174.4670 19 L 4.6913 8.6386 119.8688 54.5649 42.5814 176.3712 20 F 4.8201 9.1314 124.4490 56.6112 42.7903 173.8856 21 G 3.9907 6.7888 108.8909 45.9303 0.0000 171.9448 22 C 4.5639 8.1882 114.4717 56.5891 33.4390 172.1724 23 E 5.0925 8.6575 120.7099 54.4639 31.5960 174.8198 24 L 5.1206 8.9169 126.7503 53.1277 45.3558 175.8055 25 K 4.5841 8.8930 120.5419 56.1769 35.9352 175.9104 26 A 3.8999 8.1769 123.2739 55.5836 18.0312 178.4886 27 D 4.8089 7.8024 111.0399 52.8811 40.2812 177.4934 28 K 4.6082 7.4875 119.0114 56.3690 34.1726 175.5936 29 K 4.3478 8.0370 122.1437 57.8215 33.6256 176.7806 30 E 5.3163 8.1802 118.0658 54.4993 33.0309 174.8396 31 Y 4.6230 9.1755 123.5213 55.9515 42.0706 173.9605 32 S 4.6753 8.1582 121.9304 56.9512 63.6957 173.2930 33 F 4.8663 9.2536 132.1539 57.1236 39.7897 174.3775 34 K 4.5764 8.2249 124.9258 54.4261 34.9550 176.3607 35 V 4.1907 7.8794 115.7724 60.0054 33.9337 175.4870 36 E 4.4921 8.3399 119.9426 56.4638 30.5192 176.7289 *38 D 4.6548 7.7036 116.9842 53.3489 39.6788 177.5423 39 E 4.6189 8.4961 111.9335 54.7182 30.8266 173.6573 40 N 5.1111 9.0790 119.2871 50.9970 43.2074 173.7668 41 E 4.5356 8.3136 120.1668 56.0342 31.4660 174.5727 42 H 5.4565 8.8605 123.7976 54.8591 32.5188 173.7337 43 Q 4.7416 8.8910 122.1300 54.1922 32.6976 171.4827 44 L 4.5134 8.8866 126.9871 53.1409 43.9849 175.2749 45 S 5.0212 9.0375 120.9515 56.3676 64.8224 172.7699 46 L 4.3105 8.7669 128.6600 55.0949 42.3428 177.1425 47 R 4.4934 9.5134 122.3271 57.5350 32.3907 176.1146 48 T 5.2093 7.7656 106.5422 59.9166 72.9881 172.3473 49 V 5.0780 8.7121 122.9120 61.2796 34.3953 174.5217 50 S 5.1650 9.2345 121.3413 57.0364 66.8915 172.6948 51 L 4.7909 8.5966 121.5802 53.5142 43.0522 177.1056 52 G 4.1016 8.5909 110.3168 45.3105 0.0000 174.6332 53 A 4.1677 8.8276 123.1444 54.6422 18.4330 178.7830 54 S 4.4839 7.9182 107.4810 58.1656 63.8559 174.3931 55 A 4.6454 7.3703 124.4833 51.7329 18.6381 177.8264 56 K 4.2063 8.2462 121.6387 56.2537 32.7110 177.8922 57 D 4.8331 8.3829 122.3821 53.6621 39.4047 174.6136 58 E 4.7745 8.0023 119.6624 54.3233 33.1071 174.4526 59 L 4.2812 8.5432 123.7484 55.7112 42.9427 175.5351 60 H 5.0606 9.7847 124.1359 54.0567 31.4167 173.6636 61 V 4.8138 8.4186 122.3022 61.0671 34.3471 174.1032 62 V 4.9553 8.6639 127.9389 61.1131 33.8603 174.1846 63 E 5.3155 9.3553 124.7251 54.4622 33.5616 174.1771 64 A 5.2094 8.8489 120.8716 50.0756 22.7459 174.7898 65 E 4.9240 9.0295 121.7947 54.8255 33.0119 175.2126 66 G 4.4723 8.3800 112.8562 46.0095 0.0000 171.7842 67 I 4.7851 8.5109 113.6586 60.3327 39.0862 175.9782 68 N 4.8718 8.8361 122.9974 51.7449 39.0974 175.0081 69 Y 4.4046 8.8577 114.7539 58.6392 38.3453 175.7610 70 E 4.0946 8.0003 119.4275 55.7231 29.7473 176.2167 71 G 3.8890 7.9610 105.2041 45.9987 0.0000 174.0199 72 K 4.1908 8.2624 122.1211 56.0352 33.4643 176.1629 73 T 4.6984 8.5604 124.6933 63.3923 68.9529 173.8719 74 I 4.7377 8.8722 120.1354 58.8557 41.4632 174.4146 75 K 5.2280 8.6507 122.1240 54.5934 34.5612 175.6044 76 I 4.6866 8.8307 118.1397 58.8684 41.0127 174.5242 77 A 4.5469 8.5786 126.5416 51.4923 18.5817 177.2652 78 L 4.3005 9.0897 123.6480 57.9055 42.3145 177.9465 79 A 4.6442 7.7891 118.1405 50.9556 22.6467 174.7695 80 S 5.3243 8.7183 117.6602 56.9552 64.7868 173.7381 81 L 5.0437 8.9476 123.6506 53.0719 46.4244 175.5089 82 K 4.9696 8.5082 121.5471 54.2321 35.2627 175.1607 83 P 4.2499 0.0000 0.0000 65.2940 31.3721 177.0735 84 S 4.6214 7.7839 109.4040 58.1155 63.8330 174.3927 85 V 4.1695 7.3360 119.3312 64.3119 33.2281 175.4712 86 Q 4.6518 8.0001 117.7104 55.0304 30.9615 171.7101 87 P 4.5699 0.0000 0.0000 64.3643 32.9984 176.4094 88 T 5.1397 7.7431 115.9172 61.8404 72.6349 173.3596 89 V 4.4682 9.0625 124.9323 61.1321 35.0904 173.8667 90 S 5.1139 8.6236 121.9026 56.9479 63.0126 173.8690 91 L 4.0668 9.0461 127.9243 55.1146 42.1296 178.2423 92 G 3.7216 8.6005 105.9452 46.0969 0.0000 174.0284 93 G 3.8902 8.2288 104.2272 46.3122 0.0000 175.2245 94 F 4.3840 8.6435 121.2386 58.0410 40.6490 174.7509 95 E 5.0254 8.9436 126.5098 55.5200 30.7959 176.1163 96 I 4.7226 8.8112 124.5358 59.8311 41.5557 174.4434 97 T 4.7296 8.5996 123.4810 61.6011 69.1507 173.2516 98 P 4.5473 0.0000 0.0000 61.8528 31.9710 174.0717 99 P 4.8359 0.0000 0.0000 63.2412 32.1704 175.8578 100 V 4.7502 8.6154 119.2319 60.7401 35.2734 172.8864 101 I 4.9524 8.6897 123.3775 59.7152 39.8759 174.4013 102 L 5.2295 8.9473 126.5005 53.0662 44.3142 175.5477 103 R 5.0417 8.9461 123.2413 54.5830 33.8850 173.9445 104 L 4.4465 8.9764 129.4025 54.3327 40.9691 175.9900 105 K 4.3386 9.1168 129.4693 58.9261 33.1040 176.6913 106 S 4.5635 8.0246 112.4055 57.5074 66.5491 174.6634 107 G 4.0543 8.8685 106.3761 45.2445 0.0000 173.9277 108 S 4.0880 8.5797 113.3235 58.6552 63.8264 176.0095 109 G 4.0056 8.2213 110.2117 43.5571 0.0000 170.3908 110 P 4.6649 0.0000 0.0000 62.3967 32.6980 176.0929 111 V 4.5019 8.6110 122.4833 61.2293 34.8117 173.7696 112 Y 5.2850 8.9375 124.8249 56.2479 41.1749 174.7470 113 V 4.9740 8.8782 122.8698 61.1481 34.6747 174.4719 114 S 5.2386 8.9577 121.8202 56.8281 66.7231 174.4020 115 G 3.8261 8.1049 106.8712 46.2151 0.0000 171.5995 116 Q 5.1471 8.3125 118.5449 54.3839 32.1506 174.4693 117 H 5.1507 9.5232 123.0186 54.6439 32.2291 172.7174 118 L 5.2591 9.1560 126.8188 53.2417 44.2076 175.8718 119 V 4.9083 8.9881 122.5793 61.0592 34.7658 175.1509 120 A 4.4198 8.8605 129.0195 52.1010 18.7517 175.4966 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 4.59 0.00 3.90 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 16 Q 9.04 4.42 0.00 2.21 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 17 N 8.79 5.10 0.00 2.54 2.48 0.00 0.00 6.83 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 9.08 5.02 0.00 3.12 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 19 L 8.64 4.69 0.00 1.60 1.62 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.13 4.82 0.00 3.10 2.81 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 21 G 6.79 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 0.00 0.00 0.00 22 C 8.19 4.56 0.00 2.50 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 0.00 0.00 0.00 23 E 8.66 5.09 0.00 2.13 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 2.14 2.16 0.00 24 L 8.92 5.12 0.00 1.51 1.51 0.95 0.80 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 25 K 8.89 4.58 0.00 1.78 1.84 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.39 7.81 26 A 8.18 3.90 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 27 D 7.80 4.81 0.00 2.79 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 28 K 7.49 4.61 0.00 1.86 1.69 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.47 7.81 29 K 8.04 4.35 0.00 1.77 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.70 7.81 30 E 8.18 5.32 0.00 1.83 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 2.22 2.28 0.00 31 Y 9.18 4.62 0.00 3.10 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 32 S 8.16 4.68 0.00 3.81 3.59 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 33 F 9.25 4.87 0.00 3.44 3.19 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 34 K 8.22 4.58 0.00 1.47 1.50 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.20 1.30 7.81 35 V 7.88 4.19 1.75 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 0.38 0.00 0.00 0.76 0.00 0.00 36 E 8.34 4.49 0.00 1.88 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 2.14 2.19 0.00 *38 D 7.70 4.65 0.00 2.83 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 39 E 8.50 4.62 0.00 1.93 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 2.22 2.27 0.00 40 N 9.08 5.11 0.00 2.62 2.66 0.00 0.00 6.83 7.16 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 41 E 8.31 4.54 0.00 2.07 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 2.38 2.37 0.00 42 H 8.86 5.46 0.00 3.08 3.26 0.00 5.73 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.89 4.74 0.00 1.71 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 44 L 8.89 4.51 0.00 1.32 1.39 -0.67 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.04 5.02 0.00 3.84 3.68 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 0.00 0.00 0.00 0.00 46 L 8.77 4.31 0.00 1.65 1.54 0.61 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.51 4.49 0.00 1.81 1.95 0.00 3.24 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 1.57 1.71 0.00 48 T 7.77 5.21 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 1.23 0.00 0.00 49 V 8.71 5.08 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 1.02 0.00 0.00 0.96 0.00 0.00 50 S 9.23 5.17 0.00 3.94 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 51 L 8.60 4.79 0.00 1.52 1.53 0.89 0.61 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 52 G 8.59 4.10 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 0.00 53 A 8.83 4.17 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 54 S 7.92 4.48 0.00 3.99 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 55 A 7.37 4.65 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 0.00 0.00 56 K 8.25 4.21 0.00 1.80 1.76 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.38 7.81 57 D 8.38 4.83 0.00 2.68 2.62 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 58 E 8.00 4.77 0.00 2.00 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 2.42 2.11 0.00 59 L 8.54 4.28 0.00 1.67 1.61 0.93 1.01 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 60 H 9.78 5.06 0.00 3.05 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.42 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 1.05 0.00 0.00 0.94 0.00 0.00 62 V 8.66 4.96 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 1.07 0.00 0.00 0.94 0.00 0.00 63 E 9.36 5.32 0.00 2.24 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 2.34 2.23 0.00 64 A 8.85 5.21 1.12 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 0.00 0.00 65 E 9.03 4.92 0.00 1.99 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 2.20 2.36 0.00 66 G 8.38 4.47 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 0.00 0.00 0.00 67 I 8.51 4.79 1.89 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 1.42 0.69 0.92 0.00 0.00 68 N 8.84 4.87 0.00 3.04 3.10 0.00 0.00 6.69 7.43 0.00 0.00 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 8.86 4.40 0.00 3.14 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 70 E 8.00 4.09 0.00 1.65 1.73 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 1.64 1.47 0.00 71 G 7.96 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 72 K 8.26 4.19 0.00 1.83 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 73 T 8.56 4.70 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 74 I 8.87 4.74 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 1.39 0.84 1.00 0.00 0.00 75 K 8.65 5.23 0.00 1.63 1.91 0.00 1.70 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 I 8.83 4.69 1.95 0.00 0.00 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 1.35 0.78 0.97 0.00 0.00 77 A 8.58 4.55 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 9.09 4.30 0.00 1.66 1.75 0.79 0.40 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 79 A 7.79 4.64 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 80 S 8.72 5.32 0.00 3.77 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 81 L 8.95 5.04 0.00 1.60 1.62 0.97 0.54 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 82 K 8.51 4.97 0.00 1.77 1.60 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 83 P 0.00 4.25 0.00 2.23 2.13 0.00 3.89 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 2.23 2.09 0.00 84 S 7.78 4.62 0.00 3.97 4.10 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 85 V 7.34 4.17 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 0.83 0.00 0.00 0.94 0.00 0.00 86 Q 8.00 4.65 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 87 P 0.00 4.57 0.00 2.17 2.29 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 88 T 7.74 5.14 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 1.29 0.00 0.00 89 V 9.06 4.47 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 0.97 0.00 0.00 0.95 0.00 0.00 90 S 8.62 5.11 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 9.05 4.07 0.00 1.78 1.88 1.01 0.98 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 92 G 8.60 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 0.00 0.00 0.00 93 G 8.23 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 94 F 8.64 4.38 0.00 3.13 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 95 E 8.94 5.03 0.00 1.95 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 2.29 2.36 0.00 96 I 8.81 4.72 1.73 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.60 0.88 0.00 0.00 97 T 8.60 4.73 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 1.25 0.00 0.00 98 P 0.00 4.55 0.00 2.03 1.78 0.00 3.91 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 99 P 0.00 4.84 0.00 2.08 2.03 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 100 V 8.62 4.75 2.12 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 0.85 0.00 0.00 0.98 0.00 0.00 101 I 8.69 4.95 1.90 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 1.24 0.78 1.03 0.00 0.00 102 L 8.95 5.23 0.00 1.74 1.62 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.95 5.04 0.00 1.85 1.72 0.00 3.33 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 1.53 1.57 0.00 104 L 8.98 4.45 0.00 1.79 1.61 0.98 0.56 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 0.00 105 K 9.12 4.34 0.00 1.80 1.94 0.00 2.08 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 8.02 4.56 0.00 3.85 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 0.00 107 G 8.87 4.05 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 0.00 0.00 0.00 108 S 8.58 4.09 0.00 4.04 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 0.00 109 G 8.22 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.66 0.00 1.40 1.83 0.00 3.46 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 111 V 8.61 4.50 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 0.75 0.00 0.00 0.82 0.00 0.00 112 Y 8.94 5.28 0.00 2.96 2.71 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 0.00 113 V 8.88 4.97 2.15 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 1.09 0.00 0.00 0.96 0.00 0.00 114 S 8.96 5.24 0.00 3.90 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 0.00 115 G 8.10 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 0.00 0.00 0.00 116 Q 8.31 5.15 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 117 H 9.52 5.15 0.00 3.33 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.16 5.26 0.00 1.74 1.59 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.99 4.91 2.30 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 0.81 0.00 0.00 1.13 0.00 0.00 120 A 8.86 4.42 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 * Residues marked with a * may have inaccurate shift predictions.