NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4078 8.0433 122.6808 54.7059 43.4311 175.2362 4 I 4.3668 8.3066 122.9292 59.6224 38.2322 169.9288 5 V 4.3781 9.9597 128.6167 61.1119 34.6445 173.5452 6 N 5.0671 9.0802 126.0367 52.2192 40.1996 174.2668 7 V 4.5455 8.8399 125.5006 61.4898 33.4019 174.1840 8 I 4.8761 8.8826 130.2527 59.6178 39.7192 174.5283 9 N 5.3346 9.3404 125.3539 51.7490 40.6743 175.6315 10 G 4.2354 9.2460 113.9264 43.9141 0.0000 170.8888 11 P 4.4083 0.0000 0.0000 64.4619 31.3494 176.4747 12 N 4.4457 9.0288 117.2352 53.7671 36.9528 175.9013 13 L 4.3475 7.5318 117.2542 56.0668 42.1626 177.9478 14 G 3.6987 8.0607 105.7278 46.7670 0.0000 174.0655 15 R 4.5113 7.5855 117.7346 55.5723 30.7676 176.0185 16 L 4.1178 7.6561 119.4939 56.2628 41.8677 176.6533 17 G 4.2238 8.7638 117.1210 45.9994 0.0000 175.2905 18 R 4.2686 7.3761 117.9850 54.8473 29.5235 177.3777 *25 G 3.9917 7.9862 107.4473 45.9195 0.0000 173.6492 26 G 4.1289 7.8035 106.8121 45.1741 0.0000 173.3323 27 T 4.1987 7.9085 117.2483 63.2682 69.0610 175.3885 28 T 4.9692 8.3347 118.2118 60.2987 71.6379 175.5122 29 H 4.0264 8.6103 120.5868 59.5023 29.8742 176.9385 30 D 4.3498 8.1093 120.2308 57.5348 40.6669 178.5627 31 E 3.9737 7.9502 119.1123 59.0313 29.3320 179.1661 32 L 3.7870 7.9954 120.7454 57.9535 42.1255 178.9330 33 V 3.3658 8.0758 118.2688 66.1313 31.4237 177.8587 34 A 3.9275 7.6893 119.7802 55.0446 18.2624 179.3751 35 L 3.9015 8.0281 118.9166 58.2112 42.0975 179.3531 36 I 3.6748 7.9234 120.0071 64.3346 37.1906 178.0622 37 E 3.9234 8.2003 119.4742 59.6833 29.1850 179.8403 38 R 3.9242 8.0101 117.8493 59.1748 30.1748 178.7718 39 E 3.9227 8.1729 118.8392 59.2006 29.6133 178.7562 40 A 4.0940 8.2932 120.7959 54.9604 18.4382 179.3895 41 A 4.1503 7.8583 120.3927 54.8319 18.2561 179.5168 42 E 4.0004 7.8859 116.4813 58.5132 29.7506 177.9094 43 L 4.5195 7.2492 115.6141 53.8818 41.9718 176.7169 44 G 3.8683 7.8870 106.8758 46.2659 0.0000 173.4437 45 L 4.9770 8.2470 118.5752 52.3247 45.9581 175.2765 46 K 4.4353 8.7732 122.0739 54.7658 34.2594 174.6061 47 A 4.9339 8.5873 129.4463 50.4701 20.7109 176.0961 48 V 3.9685 8.7936 124.4874 61.7220 32.7955 174.7149 49 V 4.6994 8.1276 128.6511 61.3207 32.8035 175.0778 50 R 4.5511 8.7892 126.4222 54.3008 34.2587 174.0520 51 Q 5.2915 8.6335 122.4498 54.7448 32.1715 174.2080 52 S 4.7848 8.9853 118.5723 57.5234 65.4862 173.8334 53 D 4.5623 8.8958 124.4557 55.0469 41.5630 176.7355 54 S 4.5296 7.8818 115.4998 56.6076 63.7971 173.8705 55 E 3.8250 8.6924 129.5330 59.4229 29.6870 178.4543 56 A 3.9152 7.9080 120.2561 55.1995 18.3391 179.3018 57 Q 3.4097 7.5474 117.8408 59.0474 29.0638 178.3042 58 L 3.9952 7.4861 119.9375 57.8119 41.6717 179.4826 59 L 3.8732 8.1330 119.2953 57.7901 41.6443 179.1308 60 D 4.3176 7.7808 117.5979 57.1377 41.2178 178.3841 61 W 4.5333 8.0271 119.5681 59.7227 28.9914 178.6876 62 I 3.8177 7.9634 120.0296 64.6196 36.5395 177.9853 63 H 4.2773 8.1959 117.0650 59.2282 28.5550 177.8784 64 Q 4.0534 8.1866 119.0432 58.9569 28.4750 178.6960 65 A 4.0350 8.0868 121.1194 54.9056 18.1130 179.6333 66 A 3.9584 8.2501 119.6050 55.4994 18.2678 179.6597 67 D 4.3236 8.0396 116.2379 56.9988 41.0312 177.9645 68 A 4.2694 8.1573 118.1644 51.0216 19.8037 176.5562 69 A 3.7325 7.3585 119.4467 53.3849 16.7171 176.8955 70 E 4.8246 8.1049 119.1504 54.0762 32.3949 176.3718 71 P 4.6281 0.0000 0.0000 62.8950 33.0506 175.3119 72 V 4.7331 8.5041 122.4315 61.2798 34.5855 174.2434 73 I 4.6995 9.3794 130.2851 60.0023 38.6276 174.3033 74 L 5.0911 9.0021 130.5704 53.1699 44.7048 174.6141 75 N 5.2326 9.4605 124.9476 50.8887 39.8717 174.4264 76 A 4.1376 8.6750 128.7467 52.0458 20.4228 178.5445 77 G 4.0660 8.0318 105.0217 45.9937 0.0000 177.3996 78 G 3.8404 8.7879 110.1320 48.4830 0.0000 174.7507 79 L 4.2602 7.6425 120.2135 56.4926 41.5066 179.1945 80 T 3.9052 7.9808 116.6183 66.5769 68.1833 175.1841 81 H 5.0475 7.8829 115.3504 56.3537 29.1793 175.8826 82 T 4.4749 7.7849 109.5473 61.7327 70.6190 173.2524 83 S 4.5277 8.0407 117.6061 56.6848 62.2607 174.5645 84 V 3.3343 7.8988 128.4313 65.4417 31.4082 177.5349 85 A 3.9244 7.7677 120.3774 55.0687 18.2300 179.2126 86 L 3.9129 8.1657 119.1218 57.9969 42.0461 179.0498 87 R 3.8917 7.6056 117.5136 59.7293 29.8465 178.2885 88 D 4.3345 8.0699 117.0284 57.1954 41.1293 178.4680 89 A 4.1903 7.9740 121.0319 55.4634 18.4583 179.5542 90 C 4.1597 8.3949 115.1061 62.7385 27.9201 176.0858 91 A 4.1109 8.1192 121.8239 54.9562 17.9241 179.1316 92 E 4.1220 7.8727 116.2495 57.8804 29.8017 177.7646 93 L 4.1144 7.3949 119.8104 55.0039 42.0874 177.1588 94 S 4.3745 8.6672 117.4884 59.8677 64.0704 174.4763 95 A 4.4511 7.6802 121.2610 50.2372 19.7796 175.5608 96 P 4.3672 0.0000 0.0000 63.1059 32.8532 175.2888 97 L 5.1278 8.7698 125.0246 53.3578 45.0316 174.8997 98 I 4.7794 8.6989 127.5752 59.4040 39.8637 174.4390 99 E 4.6656 8.9653 129.2751 55.6628 31.0556 175.3169 100 V 4.7717 8.7604 126.2632 61.3349 34.9418 173.6927 101 H 4.8517 8.9152 124.1882 54.1370 31.8874 174.6692 102 I 4.0210 8.6660 124.2599 64.3293 37.9641 176.8648 103 S 4.6960 7.9255 114.2896 56.8537 64.7493 173.4314 104 N 4.5717 8.3275 119.4715 52.5990 37.6494 175.8828 105 V 3.6478 8.0843 119.9580 64.0683 31.8382 177.4910 106 H 4.3344 8.1312 115.1638 57.0103 28.8065 175.7015 107 A 4.6765 7.7075 120.9982 51.6809 19.7811 177.3768 108 R 4.6551 7.2243 116.6924 56.3165 31.3873 175.8175 109 E 3.9515 8.1817 122.9855 56.9969 30.2833 177.5368 110 E 3.8857 8.4414 122.1010 58.9858 30.2557 179.0277 111 F 4.3903 7.6422 113.3572 59.2285 38.1559 176.7630 112 R 3.7096 6.8305 118.9691 57.3856 29.9687 177.1859 113 R 4.1386 7.5718 116.2594 56.5475 30.4734 175.5295 114 H 4.8531 7.6438 117.8791 54.0073 31.8119 172.9826 115 S 4.7839 8.0207 120.1396 56.5946 64.7436 173.4705 116 Y 4.2073 8.6100 125.0078 60.1892 38.2857 177.4438 117 L 4.3148 7.8992 119.6450 56.9853 41.0897 178.7953 118 S 4.1444 7.8736 114.9331 61.4353 62.6345 175.1710 119 P 4.4827 0.0000 0.0000 64.4171 31.1663 176.9754 120 I 4.2486 7.0013 108.9635 60.3707 38.5744 175.8317 121 A 4.3039 7.5301 124.3897 52.2082 19.1131 177.8353 122 T 4.0664 8.7286 118.0017 66.5176 68.9953 175.0214 123 G 4.0935 7.5691 105.8830 45.1532 0.0000 171.7743 124 V 4.8942 8.0526 118.9668 61.0013 34.5537 174.3459 125 I 4.5602 8.9125 128.5794 59.5009 39.5777 174.8104 126 V 4.6217 7.9424 125.3991 62.1933 34.9779 176.0663 127 G 4.0144 8.7113 114.9913 46.0380 0.0000 173.5311 128 L 4.4903 7.4063 118.1964 54.0992 42.4116 178.7834 129 G 3.9097 7.8198 109.0748 45.9144 0.0000 175.2352 130 I 4.1122 8.2356 111.5407 63.6357 37.6636 177.4952 131 Q 4.2487 8.2329 121.0661 58.2490 28.9642 177.6744 132 G 3.5978 7.9452 106.8581 48.3583 0.0000 175.2716 133 Y 4.0864 7.8826 118.6696 60.9448 37.9846 178.6084 134 L 4.1261 7.8986 119.5030 57.7164 41.9497 179.3392 135 L 4.0973 8.3543 119.0477 57.4966 41.3906 179.3301 136 A 4.0524 8.0344 120.8695 55.0467 18.3067 179.5956 137 L 3.9946 8.0757 117.5954 58.0961 41.8778 179.8176 138 R 3.9873 8.0351 118.0977 59.2432 29.9817 177.9627 139 Y 4.1209 8.0026 119.2143 60.7429 38.6155 178.0703 140 L 4.0665 7.7923 118.5015 57.5849 41.7769 179.0258 141 A 4.0884 7.9622 120.1390 54.6747 18.2887 178.6616 142 E 4.0266 7.4323 115.9150 57.2139 30.3761 176.1310 143 H 4.4882 7.3704 117.5113 54.4816 30.6148 175.8622 *144 V 3.9215 8.2502 119.3796 61.0865 32.1566 173.5934 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 3 L 8.04 4.41 0.00 1.36 1.62 0.92 0.56 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 4 I 8.31 4.37 1.99 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 1.22 1.07 0.89 0.00 0.00 5 V 9.96 4.38 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 0.95 0.00 0.00 6 N 9.08 5.07 0.00 2.81 2.68 0.00 0.00 6.08 8.31 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 7 V 8.84 4.55 2.03 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 1.13 0.00 0.00 0.96 0.00 0.00 8 I 8.88 4.88 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.52 1.18 0.00 0.00 9 N 9.34 5.33 0.00 2.69 2.79 0.00 0.00 6.44 7.14 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 10 G 9.25 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 0.00 0.00 0.00 11 P 0.00 4.41 0.00 2.08 2.03 0.00 4.03 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 12 N 9.03 4.45 0.00 3.01 3.00 0.00 0.00 6.90 6.05 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 13 L 7.53 4.35 0.00 1.89 1.79 1.11 0.96 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 14 G 8.06 3.70 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 0.00 0.00 0.00 15 R 7.59 4.51 0.00 2.10 1.94 0.00 3.31 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 16 L 7.66 4.12 0.00 1.81 1.86 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.76 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 0.00 0.00 0.00 0.00 18 R 7.38 4.27 0.00 2.07 2.01 0.00 3.11 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 1.60 1.58 0.00 *25 G 7.99 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 0.00 0.00 0.00 26 G 7.80 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 0.00 0.00 0.00 0.00 27 T 7.91 4.20 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 1.25 0.00 0.00 28 T 8.33 4.97 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 1.25 0.00 0.00 29 H 8.61 4.03 0.00 3.33 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.11 4.35 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.95 3.97 0.00 2.14 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 2.31 2.29 0.00 32 L 8.00 3.79 0.00 1.70 1.55 0.62 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.08 3.37 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 0.89 0.00 0.00 0.75 0.00 0.00 34 A 7.69 3.93 1.33 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 35 L 8.03 3.90 0.00 1.89 1.76 0.91 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 36 I 7.92 3.67 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.36 0.88 0.00 0.00 37 E 8.20 3.92 0.00 2.18 1.97 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 2.29 2.42 0.00 38 R 8.01 3.92 0.00 1.85 1.96 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 39 E 8.17 3.92 0.00 2.19 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 40 A 8.29 4.09 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 41 A 7.86 4.15 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.89 4.00 0.00 1.92 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 2.32 2.35 0.00 43 L 7.25 4.52 0.00 1.85 1.68 0.94 0.90 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 44 G 7.89 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 45 L 8.25 4.98 0.00 1.65 1.53 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.77 4.44 0.00 1.81 1.63 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.34 7.81 47 A 8.59 4.93 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 48 V 8.79 3.97 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 0.80 0.00 0.00 0.87 0.00 0.00 49 V 8.13 4.70 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 0.70 0.00 0.00 0.83 0.00 0.00 50 R 8.79 4.55 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.65 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.09 0.00 51 Q 8.63 5.29 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.03 0.00 52 S 8.99 4.78 0.00 3.86 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.56 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.53 0.00 3.81 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 3.83 0.00 2.03 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 2.33 2.34 0.00 56 A 7.91 3.92 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 57 Q 7.55 3.41 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 58 L 7.49 4.00 0.00 1.85 1.74 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.13 3.87 0.00 1.71 1.57 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.78 4.32 0.00 2.82 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.03 4.53 0.00 3.63 3.05 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 62 I 7.96 3.82 1.97 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 1.84 0.98 0.97 0.00 0.00 63 H 8.20 4.28 0.00 3.40 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.19 4.05 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 65 A 8.09 4.03 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 66 A 8.25 3.96 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 67 D 8.04 4.32 0.00 2.85 2.76 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 68 A 8.16 4.27 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 69 A 7.36 3.73 1.33 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 70 E 8.10 4.82 0.00 1.84 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 2.25 2.47 0.00 71 P 0.00 4.63 0.00 2.10 2.02 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 72 V 8.50 4.73 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 0.96 0.00 0.00 73 I 9.38 4.70 1.96 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 1.14 0.61 0.96 0.00 0.00 74 L 9.00 5.09 0.00 1.73 1.49 1.06 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.46 5.23 0.00 2.73 2.99 0.00 0.00 6.97 8.42 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 76 A 8.68 4.14 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 77 G 8.03 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 78 G 8.79 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 79 L 7.64 4.26 0.00 1.88 1.74 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.98 3.91 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 1.25 0.00 0.00 81 H 7.88 5.05 0.00 3.24 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.78 4.47 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 1.32 0.00 0.00 83 S 8.04 4.53 0.00 3.85 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 84 V 7.90 3.33 1.87 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 0.97 0.00 0.00 0.34 0.00 0.00 85 A 7.77 3.92 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 86 L 8.17 3.91 0.00 1.73 1.66 0.92 1.18 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 87 R 7.61 3.89 0.00 2.01 2.10 0.00 3.45 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 88 D 8.07 4.33 0.00 2.83 2.72 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 89 A 7.97 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.16 0.00 3.15 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 91 A 8.12 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.87 4.12 0.00 2.30 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 2.36 2.37 0.00 93 L 7.39 4.11 0.00 1.73 1.65 0.99 0.96 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 94 S 8.67 4.37 0.00 3.99 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 95 A 7.68 4.45 1.33 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 96 P 0.00 4.37 0.00 2.20 2.15 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 97 L 8.77 5.13 0.00 1.76 1.48 0.99 0.92 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 98 I 8.70 4.78 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.51 0.78 0.00 0.00 99 E 8.97 4.67 0.00 2.01 1.76 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 2.21 2.20 0.00 100 V 8.76 4.77 1.61 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 0.15 0.00 0.00 0.65 0.00 0.00 101 H 8.92 4.85 0.00 3.02 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.67 4.02 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.02 0.97 0.00 0.00 103 S 7.93 4.70 0.00 3.97 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 0.00 104 N 8.33 4.57 0.00 2.74 2.76 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 0.00 105 V 8.08 3.65 2.07 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 0.59 0.00 0.00 0.62 0.00 0.00 106 H 8.13 4.33 0.00 3.30 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.71 4.68 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 0.00 108 R 7.22 4.66 0.00 1.61 1.55 0.00 3.18 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 109 E 8.18 3.95 0.00 1.16 1.13 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 2.21 0.00 110 E 8.44 3.89 0.00 2.00 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 2.37 2.34 0.00 111 F 7.64 4.39 0.00 3.22 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 0.00 112 R 6.83 3.71 0.00 1.71 1.82 0.00 2.94 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.00 113 R 7.57 4.14 0.00 1.93 1.97 0.00 3.39 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 114 H 7.64 4.85 0.00 3.13 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.02 4.78 0.00 3.77 3.61 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 0.00 116 Y 8.61 4.21 0.00 3.05 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 0.00 117 L 7.90 4.31 0.00 1.84 1.72 0.93 0.93 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 0.00 118 S 7.87 4.14 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 0.00 119 P 0.00 4.48 0.00 2.04 2.12 0.00 3.70 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 2.03 2.12 0.00 120 I 7.00 4.25 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 1.27 0.66 0.94 0.00 0.00 121 A 7.53 4.30 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.73 4.07 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 1.19 0.00 0.00 123 G 7.57 4.09 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 0.00 0.00 0.00 124 V 8.05 4.89 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 0.85 0.00 0.00 0.93 0.00 0.00 125 I 8.91 4.56 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.85 0.00 0.00 126 V 7.94 4.62 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 1.01 0.00 0.00 0.93 0.00 0.00 127 G 8.71 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 0.00 128 L 7.41 4.49 0.00 1.50 1.68 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.82 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 0.00 130 I 8.24 4.11 1.95 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 1.57 0.83 0.98 0.00 0.00 131 Q 8.23 4.25 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 132 G 7.95 3.60 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 0.00 0.00 0.00 133 Y 7.88 4.09 0.00 3.15 2.99 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 0.00 134 L 7.90 4.13 0.00 1.84 1.75 0.95 0.70 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 0.00 135 L 8.35 4.10 0.00 1.69 1.73 0.93 1.16 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 0.00 136 A 8.03 4.05 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.08 3.99 0.00 2.00 1.77 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.04 3.99 0.00 2.09 2.09 0.00 3.13 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 139 Y 8.00 4.12 0.00 3.16 3.13 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 0.00 140 L 7.79 4.07 0.00 1.81 1.77 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.96 4.09 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 0.00 142 E 7.43 4.03 0.00 2.12 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 2.17 2.22 0.00 143 H 7.37 4.49 0.00 2.75 3.03 0.00 5.74 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 V 8.25 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.