NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4419 8.2893 120.3576 55.6389 33.6652 174.3584 2 T 4.5854 7.9340 114.4199 58.5406 72.1072 173.1064 3 Y 4.0244 9.4212 124.2827 61.0289 39.5436 179.2443 4 N 4.5297 8.2652 116.8443 56.0481 38.3577 176.8322 5 N 4.1520 7.6071 117.4961 56.6357 39.4008 176.8177 6 V 3.6071 7.4826 119.1561 65.9035 31.6638 177.5643 7 F 3.8484 8.1581 120.7526 61.1974 39.2179 176.6053 8 D 4.3394 8.4070 118.0073 56.4087 40.5254 178.1668 9 H 4.3784 7.8269 117.3906 58.5310 29.1283 177.2897 10 A 3.8877 7.7278 121.9127 55.2656 18.1562 178.7670 11 Y 3.6744 7.4772 117.9996 60.8120 38.8081 178.0881 12 E 3.8329 7.7829 119.4333 59.1298 29.6641 178.6346 13 M 3.9997 7.8790 119.1347 57.9766 31.9763 178.4171 14 L 3.7814 7.7099 120.6126 57.7495 42.3107 178.9805 15 K 3.6079 7.4180 118.0176 59.4253 31.9115 178.9538 16 E 3.3085 7.6881 118.3724 59.4544 29.3149 179.1906 17 N 4.1634 8.1398 116.6094 56.2898 38.5033 177.5876 18 I 3.4006 7.7427 121.5708 64.1756 37.1471 178.4680 19 R 3.3464 7.1394 118.8908 59.5175 29.6936 178.1399 20 Y 4.4589 7.2350 115.3615 60.2996 37.8286 176.9039 21 D 4.7108 7.4932 116.5069 52.9477 41.9518 175.8476 22 D 4.1946 7.4803 117.2656 55.1754 39.8363 173.7569 23 I 4.1264 7.4077 119.4820 61.0515 38.2941 176.9257 24 R 4.7033 8.5669 121.5277 55.5560 32.4207 174.9892 25 D 4.9177 7.7349 117.3470 52.0649 44.5960 176.1480 26 T 4.0955 8.6369 115.4425 64.6050 68.8790 174.9204 27 D 4.7733 8.5653 119.8544 55.2413 41.2676 175.8028 28 D 5.0272 8.2324 116.3870 54.6458 41.9394 176.9712 29 L 4.3443 7.9393 120.3442 55.4529 42.1981 177.8110 30 H 4.1953 8.5117 118.7270 59.9478 29.6857 176.5181 31 D 4.4051 8.2073 119.4738 57.1826 40.7798 178.4883 32 A 3.9342 7.8563 120.9460 55.0273 18.3858 179.6193 33 I 3.3491 7.4617 118.2445 64.8409 36.9989 178.4834 34 H 3.9927 7.9812 116.9804 59.0335 28.5301 177.8784 35 M 4.1178 8.2891 120.3862 57.9776 31.5759 178.6994 36 A 3.8426 7.7680 120.4459 55.0272 18.5066 179.3243 37 A 3.8463 7.7004 119.3083 55.4310 18.1520 179.1671 38 D 4.4020 7.6881 115.2417 57.9007 41.3683 178.2027 39 N 4.4678 8.0953 115.0221 55.3321 38.6086 176.3836 40 A 4.4124 7.3337 120.6535 51.9021 20.1550 177.9675 41 V 3.6959 7.5182 111.7822 60.6478 32.1665 174.6373 42 P 4.4753 0.0000 0.0000 63.1954 31.9575 175.6418 43 H 4.5351 8.3301 115.4189 56.9009 30.6633 175.7343 44 Y 4.5345 7.3452 116.3956 57.3292 39.8433 176.1145 45 Y 4.0037 8.4642 118.8372 61.5057 38.0988 178.7714 46 A 4.3727 8.3106 121.1224 55.3413 18.5744 179.2141 47 D 4.3476 8.2730 117.0390 57.5840 40.9970 178.8706 48 I 3.7132 7.6322 119.8067 64.5072 37.2228 178.5278 49 F 4.4733 8.1989 118.6856 60.7393 38.4752 177.7379 50 S 4.2262 8.8695 113.0517 61.2123 62.4530 176.1201 51 V 3.8369 8.0245 121.1262 66.3764 31.1402 178.0378 52 M 4.1646 8.0780 116.8641 58.0600 31.8394 178.0602 53 A 4.2568 7.8820 119.5108 52.9120 18.9361 177.1914 54 S 4.6642 7.4467 112.1939 55.9111 65.3057 173.6269 55 E 3.9584 8.3906 118.7015 57.7131 29.5924 177.1301 56 G 3.8969 9.4812 109.1842 45.2724 0.0000 173.3301 57 I 4.1206 7.0032 118.7680 59.4326 40.8113 173.8444 58 D 4.7735 8.1688 127.0165 52.4920 42.7367 176.2596 59 L 4.0570 8.1621 121.4344 57.3714 42.4084 176.9948 60 E 4.3384 7.8683 117.6851 55.8510 30.2052 176.2803 61 F 4.6224 8.7644 121.3993 57.1093 40.1148 175.6565 62 E 4.0537 9.3212 125.9098 58.4340 29.8900 176.4091 63 D 4.9099 8.6697 119.8224 52.2670 42.8943 176.5391 64 S 4.1235 8.7394 123.4134 60.7697 63.1453 176.6826 65 G 3.6707 7.9601 108.4038 47.7045 0.0000 174.2423 66 L 4.4114 7.8956 118.2470 54.7135 42.0103 175.7263 67 M 3.8869 7.3733 120.2571 52.6756 32.6919 173.8471 68 P 4.2584 0.0000 0.0000 62.4839 32.2083 176.1700 69 D 4.5123 8.3925 121.5922 53.9466 39.9228 174.8090 70 T 4.6374 7.6817 118.2163 60.6207 70.2600 173.7439 71 K 4.1404 8.4726 124.4649 57.9258 32.7487 177.3585 72 D 4.5704 7.9061 119.2475 53.4874 39.7652 176.7631 73 V 3.6472 8.5692 124.8168 66.2378 31.4913 177.4366 74 I 3.7096 7.8346 117.4949 64.0552 37.8168 177.9290 75 R 4.0037 7.9480 118.8569 58.9087 29.8647 178.9645 76 I 3.8398 7.7576 119.2879 64.4545 37.2981 178.2339 77 L 4.0188 7.9840 119.8130 57.8635 41.3924 179.3967 78 Q 3.9637 8.2865 119.2643 59.2007 28.9689 178.2049 79 A 4.1069 8.3461 121.8360 55.0785 18.2939 179.6252 80 R 3.3483 8.0579 117.5489 59.1940 29.9646 178.8087 81 I 3.7695 7.7476 119.6086 64.5183 37.1631 177.5638 82 Y 4.0777 8.2790 120.4708 60.7837 38.5431 177.9097 83 E 3.9863 8.6175 120.1254 59.4875 29.7568 178.5396 84 Q 3.9567 8.3603 119.7840 59.0334 28.9735 178.1575 85 L 4.2219 8.3836 120.6532 58.1555 41.7197 179.6607 86 T 3.6984 7.7458 109.6483 64.6717 68.7363 176.6486 87 I 3.8713 8.0556 122.7747 64.4720 36.9932 178.2466 88 D 4.4965 8.3896 118.6116 57.2620 40.8905 178.5775 89 L 4.3013 8.4356 119.8920 57.6448 41.7293 179.4782 90 W 4.4120 8.4090 118.9353 59.9175 28.7481 178.3926 91 E 4.2147 8.2707 117.1131 58.6177 29.0914 177.9494 92 D 4.8467 8.0418 117.2337 53.9776 41.2359 177.9746 93 A 3.9703 7.8461 123.1518 55.4415 18.4295 179.8333 94 E 3.9781 8.2578 116.3619 59.6769 29.6205 179.1701 95 D 4.3994 8.1419 118.3320 57.4940 40.9546 178.8027 96 L 3.9988 8.2194 119.5779 57.7914 41.5951 179.5997 97 L 4.1032 8.1386 119.0048 57.7369 41.4259 179.3587 98 N 4.3263 8.4389 116.6516 56.3264 38.3029 176.9832 99 E 3.9076 8.0852 119.4555 59.3382 29.9708 178.0382 100 Y 4.2379 8.0231 119.4659 60.7494 38.7242 177.8395 101 L 3.6151 7.5284 118.3790 57.7178 42.0265 178.7668 102 E 4.2410 8.2843 116.2129 56.9485 29.2622 177.2941 103 E 4.2793 7.5052 118.6528 55.6719 29.9716 175.8931 104 V 4.5441 6.5991 109.0451 60.3656 35.8615 174.2564 105 E 4.4829 8.2451 120.8662 55.1147 32.2767 174.6938 106 E 4.0795 8.6890 129.5602 55.8109 28.9877 176.2146 *107 Y 4.3630 8.2205 123.6535 56.9137 37.6330 172.5381 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 1 M 8.29 4.44 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 T 7.93 4.59 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 1.30 0.00 0.00 3 Y 9.42 4.02 0.00 3.18 3.25 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 4 N 8.27 4.53 0.00 2.78 2.87 0.00 0.00 6.76 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 5 N 7.61 4.15 0.00 2.69 2.83 0.00 0.00 7.15 7.74 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 6 V 7.48 3.61 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 0.94 0.00 0.00 0.91 0.00 0.00 7 F 8.16 3.85 0.00 2.55 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 8 D 8.41 4.34 0.00 2.61 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 9 H 7.83 4.38 0.00 3.31 3.19 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.73 3.89 1.17 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 0.00 0.00 11 Y 7.48 3.67 0.00 2.23 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 12 E 7.78 3.83 0.00 2.40 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 2.29 2.33 0.00 13 M 7.88 4.00 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 14 L 7.71 3.78 0.00 1.63 1.53 0.72 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.42 3.61 0.00 1.74 1.61 0.00 1.35 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.07 7.81 16 E 7.69 3.31 0.00 1.98 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 17 N 8.14 4.16 0.00 2.64 2.77 0.00 0.00 7.13 6.97 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 18 I 7.74 3.40 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.47 0.00 0.00 19 R 7.14 3.35 0.00 1.61 1.60 0.00 3.13 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 20 Y 7.24 4.46 0.00 2.93 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 21 D 7.49 4.71 0.00 2.54 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 22 D 7.48 4.19 0.00 2.76 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 23 I 7.41 4.13 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.91 0.00 0.00 24 R 8.57 4.70 0.00 1.80 1.97 0.00 3.20 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 25 D 7.73 4.92 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 4.10 4.61 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 1.38 0.00 0.00 27 D 8.57 4.77 0.00 2.93 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 D 8.23 5.03 0.00 2.87 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 29 L 7.94 4.34 0.00 1.92 1.16 0.76 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.51 4.20 0.00 3.53 3.46 0.00 5.67 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 31 D 8.21 4.41 0.00 2.75 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 32 A 7.86 3.93 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 33 I 7.46 3.35 1.41 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.01 0.37 0.00 0.00 34 H 7.98 3.99 0.00 3.15 3.46 0.00 5.62 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 35 M 8.29 4.12 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 36 A 7.77 3.84 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 37 A 7.70 3.85 1.01 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 38 D 7.69 4.40 0.00 2.75 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 39 N 8.10 4.47 0.00 2.73 2.83 0.00 0.00 6.97 7.35 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 40 A 7.33 4.41 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 41 V 7.52 3.70 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 0.88 0.00 0.00 0.92 0.00 0.00 42 P 0.00 4.48 0.00 2.17 2.07 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 43 H 8.33 4.54 0.00 2.65 3.10 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.35 4.53 0.00 3.18 2.80 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 0.00 0.00 0.00 45 Y 8.46 4.00 0.00 3.09 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 46 A 8.31 4.37 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 47 D 8.27 4.35 0.00 2.83 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 48 I 7.63 3.71 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.75 0.00 0.00 49 F 8.20 4.47 0.00 3.27 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 50 S 8.87 4.23 0.00 3.96 3.98 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 0.00 0.00 0.00 51 V 8.02 3.84 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 1.18 0.00 0.00 1.05 0.00 0.00 52 M 8.08 4.16 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.96 0.00 53 A 7.88 4.26 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 54 S 7.45 4.66 0.00 4.07 3.96 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 55 E 8.39 3.96 0.00 2.09 2.01 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 2.33 2.27 0.00 56 G 9.48 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 0.00 0.00 0.00 57 I 7.00 4.12 0.91 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 1.20 0.51 0.76 0.00 0.00 58 D 8.17 4.77 0.00 2.61 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 59 L 8.16 4.06 0.00 1.58 1.69 0.96 0.96 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 60 E 7.87 4.34 0.00 1.98 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 2.33 2.42 0.00 61 F 8.76 4.62 0.00 2.92 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 62 E 9.32 4.05 0.00 1.97 2.25 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 2.35 2.33 0.00 63 D 8.67 4.91 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.74 4.12 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 65 G 7.96 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.41 0.00 1.86 1.92 1.05 0.93 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 67 M 7.37 3.89 0.00 1.60 0.57 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.06 0.00 68 P 0.00 4.26 0.00 2.19 2.00 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 69 D 8.39 4.51 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 70 T 7.68 4.64 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 71 K 8.47 4.14 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 72 D 7.91 4.57 0.00 2.85 2.68 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 73 V 8.57 3.65 2.18 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 1.17 0.00 0.00 0.99 0.00 0.00 74 I 7.83 3.71 1.95 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 0.96 0.00 0.00 75 R 7.95 4.00 0.00 2.01 1.97 0.00 3.33 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 76 I 7.76 3.84 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.71 1.11 0.00 0.00 77 L 7.98 4.02 0.00 1.81 1.72 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.29 3.96 0.00 2.10 2.09 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 2.36 2.38 0.00 79 A 8.35 4.11 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 0.00 0.00 0.00 0.00 0.00 80 R 8.06 3.35 0.00 1.52 1.96 0.00 2.21 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 81 I 7.75 3.77 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 1.05 0.00 0.00 82 Y 8.28 4.08 0.00 3.17 3.21 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 83 E 8.62 3.99 0.00 2.40 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 0.00 2.40 2.49 0.00 84 Q 8.36 3.96 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 1.91 2.51 0.00 85 L 8.38 4.22 0.00 1.78 1.66 0.91 0.87 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 86 T 7.75 3.70 4.14 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 0.53 0.00 0.00 87 I 8.06 3.87 2.04 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 1.60 1.16 0.96 0.00 0.00 88 D 8.39 4.50 0.00 2.89 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 89 L 8.44 4.30 0.00 1.54 1.54 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.41 4.41 0.00 3.64 3.15 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 91 E 8.27 4.21 0.00 2.20 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 2.41 2.60 0.00 92 D 8.04 4.85 0.00 3.01 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 93 A 7.85 3.97 1.52 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 0.00 0.00 94 E 8.26 3.98 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 2.49 2.43 0.00 95 D 8.14 4.40 0.00 2.94 2.78 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 96 L 8.22 4.00 0.00 1.62 1.60 0.65 0.64 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 97 L 8.14 4.10 0.00 1.88 1.78 0.97 0.57 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 98 N 8.44 4.33 0.00 2.89 3.00 0.00 0.00 6.62 7.26 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 99 E 8.09 3.91 0.00 2.08 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 0.00 2.34 2.33 0.00 100 Y 8.02 4.24 0.00 3.06 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 0.00 101 L 7.53 3.62 0.00 1.76 1.64 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.28 4.24 0.00 2.03 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 2.30 2.36 0.00 103 E 7.51 4.28 0.00 2.07 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 2.29 2.33 0.00 104 V 6.60 4.54 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 0.66 0.00 0.00 0.84 0.00 0.00 105 E 8.25 4.48 0.00 1.85 1.74 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 2.18 2.27 0.00 106 E 8.69 4.08 0.00 1.95 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 0.00 2.24 2.28 0.00 *107 Y 8.22 4.36 0.00 2.12 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.