NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2525 8.4293 121.4703 56.0439 30.7595 175.3961 5 T 3.9108 8.9973 116.2630 60.9307 69.5600 173.0088 6 I 4.1191 7.8855 122.7917 58.9430 39.1578 176.9357 7 N 4.4258 8.5026 124.6748 53.0694 39.5831 174.9609 8 L 3.8693 8.4741 128.6438 58.0152 42.0112 178.7221 9 K 3.7659 8.1736 118.8153 60.2063 32.0529 178.1381 10 Q 3.9659 8.9631 117.5739 59.7947 28.4184 178.2729 11 H 4.0892 8.0523 117.0456 58.0233 28.8643 177.2809 12 L 4.1798 7.8152 120.0820 56.9159 41.6261 178.5686 13 A 3.8596 7.7657 120.5296 55.3966 18.2374 178.5520 14 A 4.0213 7.7533 115.5012 53.3274 18.4392 177.1996 15 I 4.2540 7.7260 110.5636 59.2188 37.8107 175.8518 16 K 4.4497 8.0476 127.3797 55.4398 32.6870 176.3766 17 E 4.5486 7.3510 115.5514 55.5654 31.3124 174.2190 18 Y 4.3451 8.3631 122.9056 58.1002 39.0430 175.2302 19 W 3.7612 8.2064 119.9915 58.1225 27.0985 175.0815 20 Q 4.5359 7.2962 117.9758 53.2825 29.7107 173.3103 21 P 4.6372 0.0000 0.0000 62.1684 32.5617 175.5414 22 E 4.2790 9.2464 126.1899 55.6785 30.8988 174.8945 23 I 4.7542 8.3243 127.9109 59.9060 38.9030 175.0411 24 I 4.6478 8.9766 128.0669 59.4876 40.4227 174.2023 25 N 5.6833 8.8301 122.6582 51.6531 41.2851 174.5462 26 R 4.5164 8.9852 121.5655 55.4179 33.7959 174.7761 27 H 3.7695 8.4911 123.3153 57.4814 27.4499 175.5939 28 G 4.0239 8.4273 109.6450 47.7656 0.0000 172.0124 29 F 5.3836 8.4102 118.6185 55.2450 43.0298 173.9346 30 Q 5.2636 9.3868 124.3505 54.3591 31.6996 174.0108 31 F 5.4038 9.7021 124.6336 56.0446 42.4724 173.7733 32 H 5.3719 9.5061 120.4759 53.9997 31.6420 173.0790 33 L 5.1684 8.8632 123.3110 53.2114 43.8144 176.0278 34 V 4.7203 8.4296 116.3848 59.3357 36.3247 174.6511 35 K 4.8630 8.2497 121.3519 54.6487 34.7225 175.0296 36 L 3.8018 8.6124 124.9871 52.5028 44.1324 175.3746 37 L 4.6957 7.7355 123.7983 53.5098 45.3742 178.0232 38 G 3.7662 8.6195 112.3518 46.5606 0.0000 172.3160 39 D 5.2819 8.2639 121.8512 52.8376 42.5257 174.6186 40 Y 4.0592 7.5766 115.4172 56.8450 38.7144 175.1711 41 G 3.7204 8.0284 106.6983 44.1453 0.0000 172.0653 42 W 4.7586 8.3293 117.5252 55.1580 31.2420 174.9509 43 H 5.0740 8.8213 118.5816 54.4639 32.1598 173.6150 44 T 4.2182 8.4899 111.6317 63.8805 69.1311 169.5198 45 H 4.4714 8.5033 128.0019 55.5260 26.7879 175.4680 46 G 3.7912 8.8002 113.6011 47.2478 0.0000 173.3974 47 Y 4.3428 8.1814 119.6839 59.0475 39.4566 174.9902 48 S 4.7024 7.6679 110.5994 56.4622 66.2761 173.1910 49 D 4.7768 8.7709 120.2801 54.7595 41.6524 175.8949 50 K 4.8103 8.9197 119.9595 54.7217 35.5107 175.5335 51 V 4.4876 8.6626 123.9800 62.0240 33.2092 174.5242 52 L 5.2355 9.5762 128.2896 52.9321 44.0381 175.6721 53 F 5.3183 9.6808 125.7076 56.3846 43.0351 173.4471 54 A 4.6525 8.5773 128.0696 50.2674 19.6035 176.9980 55 V 3.1627 8.0650 122.5583 66.0347 32.5633 176.2130 56 E 4.5377 7.9976 120.1199 56.2012 32.9735 176.6056 57 G 3.7364 9.1516 116.1736 45.1231 0.0000 171.4973 58 D 4.8051 8.1079 117.0421 52.3280 44.9578 174.0962 *60 A 4.2334 8.0307 120.9678 52.1327 20.8422 175.6376 61 V 4.5738 7.8537 117.2040 61.4744 35.0305 173.7165 62 D 5.1988 8.4931 127.5756 52.9062 43.1941 175.4917 63 F 5.4644 8.9518 120.1674 55.5282 41.6676 176.9395 64 A 3.5845 9.1878 124.3460 54.7004 18.2792 178.1924 65 D 4.6272 8.1400 113.3929 53.2857 39.9919 176.5630 66 G 4.1793 8.6177 109.3912 45.8777 0.0000 175.0617 67 G 3.9229 8.1066 108.0509 45.8816 0.0000 172.8390 68 S 5.7952 8.0707 115.3009 55.7770 65.0435 172.8468 *70 T 4.1069 8.2663 114.0132 63.7703 69.2684 173.4744 71 I 4.5770 8.0726 124.7108 59.5872 39.6845 175.7519 72 R 4.4616 9.4338 125.3885 54.7607 30.9502 175.9601 73 E 4.1342 8.7309 120.9502 58.4058 29.6936 177.4217 74 G 4.2523 9.5950 114.4638 45.6109 0.0000 173.1092 75 E 4.7525 8.2149 120.4748 54.7890 31.4680 174.5896 *77 A 4.2086 8.1571 121.1247 52.9173 20.7119 176.0407 78 V 5.1595 8.1947 118.3633 60.4664 33.6046 175.0254 79 V 4.2793 8.3353 127.9964 61.1633 32.7823 173.5548 80 P 5.1307 0.0000 0.0000 62.2432 32.1133 176.3242 81 K 4.2291 9.4448 122.5716 57.8187 33.1725 176.6672 82 S 3.9677 8.7045 115.2398 59.1727 61.9787 171.4172 83 V 4.5490 7.7256 112.9845 60.2532 34.0809 175.7639 84 S 4.7978 8.9540 121.0709 58.9635 63.1362 172.7239 85 H 5.2935 9.4456 120.9790 54.5681 32.4410 172.5541 86 R 4.4750 8.4436 121.2354 53.4492 31.2457 173.0486 87 P 4.9346 0.0000 0.0000 63.0334 32.3524 175.4673 88 R 4.8725 8.2258 116.1597 56.3452 32.7903 173.7545 89 S 4.5211 8.9435 113.8081 57.2565 65.5912 174.8558 90 E 3.9919 9.0560 127.8943 58.5863 29.6645 176.8271 91 N 4.7984 8.1187 111.7745 51.6857 40.7866 174.5855 92 G 4.0547 8.5127 108.5885 45.4571 0.0000 172.3953 93 C 5.0621 9.5779 124.9327 57.6736 35.5624 172.6075 94 S 4.9586 9.0689 122.0069 57.0655 64.5159 172.8946 95 L 5.0305 8.9066 126.9673 53.0757 45.4464 174.9242 96 V 4.9170 8.8161 125.2486 61.1537 34.1761 174.1153 97 L 5.3232 9.0448 127.7339 53.1639 44.6874 175.5410 98 I 4.9604 8.4120 122.7133 59.5738 41.3711 174.2483 99 E 5.0152 9.1583 123.7954 54.5713 33.7117 173.8589 100 L 4.7430 8.3781 123.1794 54.9432 42.5420 176.6766 101 S 4.4320 8.2166 120.5301 57.8235 64.4523 173.8967 102 D 4.1805 7.5468 119.7817 54.4113 41.2835 175.2258 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 4 E 8.43 4.25 0.00 1.91 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 2.18 2.35 0.00 5 T 9.00 3.91 4.21 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 1.19 0.00 0.00 6 I 7.89 4.12 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 0.00 1.05 0.40 0.61 0.00 0.00 7 N 8.50 4.43 0.00 2.75 2.73 0.00 0.00 7.13 6.66 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 8 L 8.47 3.87 0.00 1.77 1.67 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.17 3.77 0.00 1.80 2.02 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 10 Q 8.96 3.97 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 11 H 8.05 4.09 0.00 3.48 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.82 4.18 0.00 1.85 1.62 0.82 0.60 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 13 A 7.77 3.86 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 14 A 7.75 4.02 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 15 I 7.73 4.25 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.92 0.00 0.00 16 K 8.05 4.45 0.00 1.70 1.79 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.31 7.81 17 E 7.35 4.55 0.00 1.83 1.68 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 2.15 2.32 0.00 18 Y 8.36 4.35 0.00 3.30 2.65 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 19 W 8.21 3.76 0.00 3.10 2.87 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 20 Q 7.30 4.54 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 21 P 0.00 4.64 0.00 1.97 2.05 0.00 3.69 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 2.14 0.00 22 E 9.25 4.28 0.00 2.01 1.81 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 2.28 2.29 0.00 23 I 8.32 4.75 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.62 0.83 0.00 0.00 24 I 8.98 4.65 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 1.20 0.67 0.84 0.00 0.00 25 N 8.83 5.68 0.00 2.59 2.77 0.00 0.00 6.76 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 26 R 8.99 4.52 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 27 H 8.49 3.77 0.00 3.37 2.94 0.00 5.69 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 28 G 8.43 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 0.00 0.00 0.00 29 F 8.41 5.38 0.00 3.26 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 0.00 0.00 0.00 0.00 30 Q 9.39 5.26 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 31 F 9.70 5.40 0.00 2.88 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 32 H 9.51 5.37 0.00 3.02 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.86 5.17 0.00 1.58 1.52 0.93 0.70 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 34 V 8.43 4.72 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 0.69 0.00 0.00 0.86 0.00 0.00 35 K 8.25 4.86 0.00 1.19 1.41 0.00 1.43 0.00 0.00 1.40 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.22 7.81 36 L 8.61 3.80 0.00 1.27 0.99 0.55 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.74 4.70 0.00 0.64 0.67 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.62 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 39 D 8.26 5.28 0.00 2.62 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 Y 7.58 4.06 0.00 1.43 2.35 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 41 G 8.03 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 42 W 8.33 4.76 0.00 3.22 3.16 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 0.00 0.00 0.00 0.00 43 H 8.82 5.07 0.00 3.14 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.49 4.22 4.32 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 1.29 0.00 0.00 45 H 8.50 4.47 0.00 3.51 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.18 4.34 0.00 2.99 3.03 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 48 S 7.67 4.70 0.00 3.83 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 49 D 8.77 4.78 0.00 2.62 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.92 4.81 0.00 1.64 1.62 0.00 1.27 0.00 0.00 1.40 0.00 0.00 2.80 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.24 1.03 7.81 51 V 8.66 4.49 2.04 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 0.95 0.00 0.00 0.91 0.00 0.00 52 L 9.58 5.24 0.00 1.41 1.58 0.94 0.79 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 53 F 9.68 5.32 0.00 2.90 2.83 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 54 A 8.58 4.65 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 55 V 8.07 3.16 1.78 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 0.56 0.00 0.00 0.19 0.00 0.00 56 E 8.00 4.54 0.00 1.96 1.63 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 2.24 2.27 0.00 57 G 9.15 3.74 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 0.00 0.00 0.00 58 D 8.11 4.81 0.00 2.61 2.55 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 *60 A 8.03 4.23 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 61 V 7.85 4.57 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 0.56 0.00 0.00 0.89 0.00 0.00 62 D 8.49 5.20 0.00 2.31 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 63 F 8.95 5.46 0.00 3.26 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 64 A 9.19 3.58 1.07 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 65 D 8.14 4.63 0.00 2.80 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 66 G 8.62 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 67 G 8.11 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 68 S 8.07 5.80 0.00 3.86 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 *70 T 8.27 4.11 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 71 I 8.07 4.58 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.97 0.00 0.00 72 R 9.43 4.46 0.00 1.85 1.94 0.00 3.16 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 73 E 8.73 4.13 0.00 2.08 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 2.37 0.00 74 G 9.59 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 0.00 0.00 0.00 0.00 75 E 8.21 4.75 0.00 2.23 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 2.27 2.27 0.00 *77 A 8.16 4.21 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 78 V 8.19 5.16 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 1.04 0.00 0.00 0.95 0.00 0.00 79 V 8.34 4.28 2.16 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 0.88 0.00 0.00 0.93 0.00 0.00 80 P 0.00 5.13 0.00 2.02 1.99 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 81 K 9.44 4.23 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.41 7.81 82 S 8.70 3.97 0.00 4.21 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 83 V 7.73 4.55 2.26 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 0.76 0.00 0.00 1.22 0.00 0.00 84 S 8.95 4.80 0.00 3.94 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 85 H 9.45 5.29 0.00 2.99 3.36 0.00 5.25 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.44 4.48 0.00 0.67 0.66 0.00 2.79 0.00 0.00 2.65 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.09 0.00 87 P 0.00 4.93 0.00 2.21 2.08 0.00 3.79 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 2.16 2.02 0.00 88 R 8.23 4.87 0.00 1.89 1.88 0.00 3.02 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 89 S 8.94 4.52 0.00 3.93 3.62 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 90 E 9.06 3.99 0.00 1.94 1.95 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 2.28 2.38 0.00 91 N 8.12 4.80 0.00 2.69 2.77 0.00 0.00 7.12 7.65 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 92 G 8.51 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 93 C 9.58 5.06 0.00 3.04 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 94 S 9.07 4.96 0.00 3.63 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 5.03 0.00 1.58 1.47 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.82 4.92 2.21 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 1.11 0.00 0.00 0.91 0.00 0.00 97 L 9.04 5.32 0.00 1.61 1.48 0.90 0.50 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 98 I 8.41 4.96 1.72 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 1.30 0.86 0.26 0.00 0.00 99 E 9.16 5.02 0.00 1.98 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 2.21 2.32 0.00 100 L 8.38 4.74 0.00 1.83 1.84 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.22 4.43 0.00 3.88 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 0.00 102 D 7.55 4.18 0.00 1.90 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.