NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3631 8.3033 121.7370 56.3415 31.4662 173.9680 3 T 4.9812 8.5664 123.0452 61.3941 70.7715 172.0280 4 L 4.7235 10.1323 128.3036 53.1083 44.4797 175.3408 5 R 4.9689 8.6131 123.0037 54.8923 31.7592 175.8768 6 V 4.4989 8.6169 123.6261 61.1678 34.0476 175.0133 7 S 4.8600 8.6490 122.3950 55.9909 65.5437 174.9621 8 S 4.1532 8.5688 114.0082 60.9203 62.6890 175.0870 9 K 4.3826 7.5716 118.3044 56.0820 32.1719 176.9860 10 S 4.2179 7.6044 116.1480 58.4558 63.4211 174.6465 11 R 4.3273 8.3872 123.3613 54.6265 30.9654 175.5714 12 P 4.2053 0.0000 0.0000 66.0428 31.4068 178.3377 13 N 4.5006 8.1178 114.4311 56.4059 38.6327 177.5841 14 S 4.1813 8.0025 116.1680 61.5569 62.9849 176.7103 15 V 3.6069 8.0538 120.8594 65.8632 31.1885 177.8681 16 A 4.0596 8.6319 121.1748 55.1824 18.1673 179.8594 17 G 3.6623 8.4361 104.0318 47.8056 0.0000 175.9187 18 A 4.0120 7.6814 121.8944 54.9367 18.5353 179.3477 19 I 3.7855 7.8621 117.2641 64.5638 37.4617 178.0042 20 A 4.2410 8.4106 121.5176 55.1799 17.7520 180.2146 21 A 4.1999 7.7745 115.3780 53.2912 18.1596 179.1648 *23 L 4.2508 7.9050 122.5574 56.2416 43.6472 179.4531 24 R 4.0653 8.2718 116.7704 57.9155 29.2564 176.0614 25 T 4.3057 6.8253 106.5764 62.7190 70.9026 176.3351 26 K 3.9195 7.8897 127.5844 56.7449 33.1662 178.5630 27 G 4.1851 9.4383 103.4566 44.2647 0.0000 171.9723 28 E 5.2908 7.2477 115.0115 55.9894 32.2003 174.8203 29 V 4.3338 8.2671 117.7347 61.1539 35.2102 170.8687 30 E 5.1957 8.7450 123.2249 54.4834 32.2738 174.6302 31 V 4.9635 9.0615 126.4828 61.2492 34.6283 174.1145 32 Q 5.2189 9.2788 125.9850 54.3393 32.4350 174.3596 33 A 5.0784 8.9641 122.9972 50.7736 23.3096 175.0643 34 I 4.5454 8.6747 121.5721 60.7198 39.9028 176.7031 35 G 4.0907 9.0897 112.4240 45.0897 0.0000 172.1116 36 P 4.2793 0.0000 0.0000 65.9809 30.9233 178.9378 37 Q 3.9377 8.0370 116.8342 58.7163 28.8229 178.2990 38 A 4.1301 7.9563 121.2943 55.1956 18.4901 179.6524 39 V 3.6562 7.9543 116.7802 66.0560 31.7184 177.7603 40 N 4.2759 8.2551 116.7778 56.9095 38.8384 176.8379 41 Q 3.9725 8.3239 119.3344 58.9243 28.8436 178.8064 42 A 3.8885 8.0125 121.8381 55.0770 18.4196 179.9165 43 V 3.1952 7.7299 116.7620 65.5827 31.5207 178.5575 44 K 3.8340 7.8516 117.9084 59.3935 31.8975 178.9776 45 A 4.0585 7.8086 120.9743 55.2953 18.2745 179.8445 46 I 3.5081 7.5190 117.6611 64.3236 36.9618 178.3890 47 A 3.8962 7.5573 120.2271 55.3750 18.5291 179.4496 48 I 3.5245 8.1040 118.3307 64.3185 37.1882 178.5468 49 A 3.8123 8.0756 121.9812 54.9984 18.1293 179.7413 50 R 3.9584 7.8650 116.7331 59.5209 29.8812 179.4872 51 G 3.5919 7.6108 104.4847 47.9372 0.0000 174.7104 52 Y 4.5700 7.7969 117.6637 59.9269 38.3215 176.5392 53 I 4.2486 7.6971 111.5843 61.0790 39.3135 177.5560 54 A 4.0970 8.0666 125.0322 54.9455 18.1726 177.8980 55 P 4.1705 0.0000 0.0000 65.2699 31.4429 176.8064 56 D 4.6540 8.1146 116.6646 53.4275 40.9666 175.6554 57 N 4.2555 8.7398 117.6093 54.7746 37.8279 173.0120 58 L 5.1702 7.9133 114.4010 52.5955 44.4016 175.4842 59 D 5.1664 9.1578 121.8248 52.3009 44.8415 174.3774 60 L 5.3551 8.2557 120.9164 54.1081 43.8809 175.8851 61 V 4.6588 8.7950 112.9951 59.6745 35.8605 174.7600 62 V 4.9269 8.3671 121.5887 61.1494 34.9478 174.9561 63 K 4.6580 8.8621 125.9279 54.0034 35.0215 173.6231 64 P 4.8424 0.0000 0.0000 62.2624 32.8321 175.0612 65 A 4.4878 8.3077 122.4868 50.9048 23.2716 175.0050 66 F 5.0356 8.5550 117.6830 56.8974 40.8472 176.1643 67 V 4.5693 8.5695 119.5501 60.6111 34.9923 172.9565 68 K 4.8287 8.6257 122.5940 55.4436 32.8833 175.8385 69 L 4.9135 8.3565 126.5188 54.0845 45.3951 176.0258 70 E 4.8241 8.7301 122.9591 55.9566 33.7602 174.2503 71 L 4.3491 9.0069 123.7997 55.6575 45.9835 175.7545 72 E 3.7067 9.4941 123.9467 58.3151 26.3517 175.7535 73 N 4.1554 7.8466 114.5978 54.1349 38.1685 174.8407 74 E 4.5827 8.0165 117.5853 54.8298 31.5133 174.3335 75 E 4.9014 8.5201 120.2148 55.0457 31.2384 175.8149 76 R 4.6995 8.5640 122.9237 54.7257 33.9737 175.2499 77 T 4.6952 8.4457 117.7252 62.5860 69.6218 174.5900 78 A 4.6558 9.1388 129.6409 50.6743 22.2116 174.9377 79 L 5.0118 8.6515 118.5672 52.8071 44.3767 176.4385 80 K 4.9878 8.7753 122.4800 54.9812 36.0249 174.9433 81 F 4.8817 9.7557 122.3258 55.9668 41.6891 174.6973 82 S 4.9282 8.9606 121.4829 57.5083 64.1325 173.3259 83 I 5.0223 9.0288 126.8468 59.5050 39.4421 175.2340 84 K 5.1113 8.8814 124.8598 54.5711 36.1330 175.1342 85 A 5.7633 8.8889 124.8663 50.0575 21.9200 175.1633 86 H 4.8580 8.0725 113.2791 53.5943 32.1484 171.0492 87 P 4.6992 0.0000 0.0000 63.1374 31.1035 176.6200 88 L 4.1510 9.1127 125.7549 57.2843 42.1925 177.2980 89 E 4.2605 7.7174 120.2814 56.3805 29.7191 175.7334 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 2 E 8.30 4.36 0.00 2.12 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 2.28 2.43 0.00 3 T 8.57 4.98 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 1.23 0.00 0.00 4 L 10.13 4.72 0.00 1.56 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.61 4.97 0.00 1.70 1.87 0.00 3.16 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 6 V 8.62 4.50 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 0.94 0.00 0.00 7 S 8.65 4.86 0.00 4.03 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 8 S 8.57 4.15 0.00 4.00 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 9 K 7.57 4.38 0.00 1.69 1.88 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 10 S 7.60 4.22 0.00 4.03 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 11 R 8.39 4.33 0.00 1.90 1.88 0.00 3.35 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 12 P 0.00 4.21 0.00 2.11 2.07 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 13 N 8.12 4.50 0.00 2.78 2.99 0.00 0.00 7.13 7.57 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 14 S 8.00 4.18 0.00 4.00 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 15 V 8.05 3.61 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 1.08 0.00 0.00 0.96 0.00 0.00 16 A 8.63 4.06 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.44 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.68 4.01 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 19 I 7.86 3.79 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.90 0.00 0.00 20 A 8.41 4.24 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 21 A 7.77 4.20 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 *23 L 7.90 4.25 0.00 1.89 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.27 4.07 0.00 1.80 1.99 0.00 3.13 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 25 T 6.83 4.31 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 1.21 0.00 0.00 26 K 7.89 3.92 0.00 1.74 1.89 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.44 7.81 27 G 9.44 4.19 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 0.00 28 E 7.25 5.29 0.00 2.03 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 2.15 2.27 0.00 29 V 8.27 4.33 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 0.62 0.00 0.00 1.01 0.00 0.00 30 E 8.75 5.20 0.00 2.07 1.93 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 2.22 2.23 0.00 31 V 9.06 4.96 2.27 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 0.99 0.00 0.00 0.95 0.00 0.00 32 Q 9.28 5.22 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 33 A 8.96 5.08 1.27 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 0.00 0.00 0.00 34 I 8.67 4.55 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 1.30 0.75 0.93 0.00 0.00 35 G 9.09 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 36 P 0.00 4.28 0.00 2.29 2.36 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 37 Q 8.04 3.94 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 38 A 7.96 4.13 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 39 V 7.95 3.66 2.14 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 1.14 0.00 0.00 1.09 0.00 0.00 40 N 8.26 4.28 0.00 3.04 3.00 0.00 0.00 7.23 6.08 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 41 Q 8.32 3.97 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 42 A 8.01 3.89 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 43 V 7.73 3.20 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 0.91 0.00 0.00 0.84 0.00 0.00 44 K 7.85 3.83 0.00 2.01 1.76 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.61 7.81 45 A 7.81 4.06 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 46 I 7.52 3.51 1.80 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.80 0.00 0.00 47 A 7.56 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 48 I 8.10 3.52 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.25 0.00 0.00 49 A 8.08 3.81 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 50 R 7.86 3.96 0.00 1.97 1.96 0.00 3.08 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 51 G 7.61 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 0.00 0.00 0.00 52 Y 7.80 4.57 0.00 3.08 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 53 I 7.70 4.25 1.89 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 1.55 0.87 1.00 0.00 0.00 54 A 8.07 4.10 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 55 P 0.00 4.17 0.00 2.06 2.15 0.00 3.79 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 2.07 2.14 0.00 56 D 8.11 4.65 0.00 2.79 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 57 N 8.74 4.26 0.00 2.92 2.84 0.00 0.00 7.05 7.21 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 58 L 7.91 5.17 0.00 1.71 1.52 0.92 1.06 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 59 D 9.16 5.17 0.00 2.65 2.34 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 60 L 8.26 5.36 0.00 1.67 1.53 0.89 0.50 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 61 V 8.80 4.66 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 0.87 0.00 0.00 1.00 0.00 0.00 62 V 8.37 4.93 2.14 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 1.03 0.00 0.00 0.94 0.00 0.00 63 K 8.86 4.66 0.00 1.72 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 64 P 0.00 4.84 0.00 1.74 1.90 0.00 3.74 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 1.85 1.93 0.00 65 A 8.31 4.49 1.14 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 0.00 0.00 0.00 66 F 8.55 5.04 0.00 2.94 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 67 V 8.57 4.57 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 0.77 0.00 0.00 0.94 0.00 0.00 68 K 8.63 4.83 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.41 7.81 69 L 8.36 4.91 0.00 1.53 1.43 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.73 4.82 0.00 1.90 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 2.21 2.29 0.00 71 L 9.01 4.35 0.00 1.70 1.45 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.49 3.71 0.00 2.34 2.19 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 2.25 1.89 0.00 73 N 7.85 4.16 0.00 2.85 2.92 0.00 0.00 7.16 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 74 E 8.02 4.58 0.00 2.02 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 2.25 2.26 0.00 75 E 8.52 4.90 0.00 1.83 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 2.30 2.31 0.00 76 R 8.56 4.70 0.00 1.72 1.82 0.00 3.28 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 77 T 8.45 4.70 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 1.33 0.00 0.00 78 A 9.14 4.66 1.27 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 0.00 0.00 0.00 79 L 8.65 5.01 0.00 1.42 1.02 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.78 4.99 0.00 1.69 1.80 0.00 1.36 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.25 7.81 81 F 9.76 4.88 0.00 2.82 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 82 S 8.96 4.93 0.00 3.79 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 83 I 9.03 5.02 1.98 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 1.27 0.92 0.96 0.00 0.00 84 K 8.88 5.11 0.00 1.72 1.68 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.38 7.81 85 A 8.89 5.76 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 86 H 8.07 4.86 0.00 3.17 3.37 0.00 5.47 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.70 0.00 1.98 2.05 0.00 3.73 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 2.04 2.14 0.00 88 L 9.11 4.15 0.00 1.76 1.73 0.92 0.93 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 89 E 7.72 4.26 0.00 2.11 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 2.25 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.