NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4374 8.3349 115.4124 57.8249 64.6528 173.4671 2 K 4.1153 8.0637 120.2076 56.9738 32.9614 175.8337 3 T 4.1159 8.6166 119.8083 65.7344 70.3788 175.0245 4 N 4.3329 8.0090 120.6907 53.2856 39.4930 173.6462 5 P 4.3615 0.0000 0.0000 65.2530 31.3748 178.9548 6 R 3.8781 9.0265 117.9057 59.2081 30.2995 178.6015 7 L 3.9017 8.1406 119.4955 58.2657 41.7865 178.9241 8 S 4.1460 7.9618 112.7605 61.1002 62.2986 176.3638 9 S 4.0577 7.8976 117.6336 61.4034 62.6889 175.9073 10 L 3.8399 8.0463 123.4508 58.5739 41.7237 179.1200 11 I 3.6399 7.6362 118.6360 64.2853 36.9995 178.1987 12 A 3.9900 7.6573 121.4130 55.3459 18.2392 179.4140 13 D 4.2468 8.6088 117.5692 57.5164 40.9270 178.7858 14 L 3.8280 8.4272 119.7392 57.9796 41.6347 179.7183 15 K 3.9689 8.2012 118.0359 59.4976 32.1817 179.0147 16 S 4.0720 8.3059 113.0451 61.6956 62.3253 176.5664 17 A 3.9728 8.2387 122.7531 55.2609 18.0445 179.2068 18 A 4.1348 7.9653 117.8358 55.8726 18.4301 179.8297 19 R 4.0448 7.9851 115.3958 60.1082 30.3652 178.8264 20 S 4.0433 8.1200 114.0184 60.9546 62.9371 176.2689 21 S 4.3168 7.7489 120.6312 59.0488 63.6170 175.0709 22 G 3.8098 8.5699 108.5851 45.7745 0.0000 174.2979 23 G 3.8367 7.9016 108.5954 45.8156 0.0000 173.1635 24 A 4.5719 7.9585 119.6675 51.4953 21.5793 179.2415 25 V 3.4954 7.4555 109.2536 64.2462 31.4654 178.4980 26 W 4.9069 7.7121 118.3766 60.0315 28.9931 178.7208 27 G 3.6595 8.2019 105.2337 47.6082 0.0000 175.0756 28 D 4.3339 8.0654 120.4315 57.2532 41.3085 178.6140 29 V 3.5850 8.5107 118.8286 65.8079 31.5400 177.4583 30 A 4.0009 8.4104 121.0312 55.4996 17.9363 179.5437 31 E 4.1183 7.9290 116.5769 59.0349 29.8101 179.1119 32 R 4.0273 7.8961 118.6860 59.6639 29.9094 178.4383 33 L 3.7243 8.1716 117.4921 57.8791 41.3261 179.1641 34 E 4.1807 8.1931 118.2328 57.8536 29.3059 177.4992 35 K 4.1660 7.4481 117.9153 54.9404 32.9604 174.8727 36 P 4.1850 0.0000 0.0000 63.2662 31.9619 177.6333 37 R 3.4724 8.8507 121.9936 59.3964 30.1861 178.9052 38 R 3.9656 7.9603 112.8412 59.0450 29.3972 177.6274 39 T 4.1574 8.3813 107.9988 63.3844 69.3722 174.7052 40 H 4.4931 7.8615 119.0594 55.7361 29.6413 175.0322 41 A 4.3550 8.3056 122.2829 51.9336 20.0476 177.0496 42 E 4.8709 8.6593 119.3049 54.8169 32.6001 174.7720 43 V 4.4743 8.5779 124.7789 60.9746 34.9052 175.0832 44 N 5.8497 8.5764 123.7901 51.5071 40.3240 175.9976 45 L 4.1126 8.7312 119.8752 58.2780 41.4022 179.8873 46 G 4.0141 7.6998 103.8650 48.0461 0.0000 175.3507 47 R 4.0689 7.9453 119.9392 59.2980 30.3143 178.3605 48 I 3.7545 7.8256 119.1360 64.5776 36.8858 177.7116 49 E 3.9104 8.4460 119.1635 59.3994 29.4981 178.6233 50 R 3.8280 7.6534 117.7173 58.4369 30.1467 176.4756 51 Y 4.6927 7.5871 112.0251 57.4533 39.1558 175.1510 52 A 4.6722 7.8034 123.5440 51.0805 20.5213 176.9616 53 Q 4.5538 8.2127 116.2659 54.3328 31.5015 174.0963 54 E 3.8376 8.7563 120.8036 58.4219 29.9528 177.0130 55 D 4.5203 8.9756 120.3289 54.4877 38.1806 173.4992 56 E 4.7031 7.8021 119.8328 54.2628 31.8638 175.4804 57 T 4.2076 8.4052 125.0793 63.8811 69.7099 174.0235 58 V 4.2631 9.0377 128.1977 62.6605 33.0281 174.7626 59 V 4.7259 9.5810 129.0735 61.3199 33.8983 174.4107 60 V 4.7752 8.9864 129.7437 59.0200 32.8071 174.8298 61 P 4.9261 0.0000 0.0000 61.6336 31.8157 174.2723 62 G 4.1230 6.9300 110.7367 47.4558 0.0000 173.2507 63 K 4.9567 9.3291 125.8288 54.3927 36.0189 175.2624 64 V 4.8902 8.3572 125.0508 61.1880 33.9424 174.4153 65 L 5.0005 8.9127 127.9454 52.4837 44.5982 176.3789 66 G 4.2720 8.4702 107.5674 47.0883 0.0000 173.6051 67 S 4.6355 8.2168 117.0945 58.2208 64.8743 175.8440 68 G 4.2193 9.0670 110.4251 44.7849 0.0000 171.9841 69 V 4.3171 7.8768 117.2039 60.6150 33.4865 174.4651 70 L 4.8234 8.4535 127.7410 53.5984 43.8895 175.2235 71 Q 4.4578 10.1811 126.1758 57.0324 30.5995 176.9246 72 K 3.9041 8.1951 115.2602 57.3658 32.5485 176.5756 73 D 5.5615 8.4201 122.1638 52.3868 39.7396 175.1413 74 V 4.4414 7.7533 115.3271 59.3315 36.1669 174.6266 75 T 4.7484 8.3423 118.9034 62.3074 70.2324 173.7193 76 V 4.7520 8.3895 126.9073 61.3245 33.8230 174.5016 77 A 5.9400 9.9579 129.5377 49.5495 20.7932 174.6503 78 A 5.3464 8.6367 121.8241 49.4358 22.7933 176.8558 79 V 3.5306 8.1594 119.1136 66.1744 32.0315 175.4171 80 D 4.4536 7.0943 117.0146 53.4311 44.6857 173.9649 81 F 5.4560 8.5077 119.6275 55.2385 42.7754 175.2813 82 S 4.2250 9.0852 118.1360 58.2103 63.8864 175.4091 83 G 3.8444 9.1151 109.0922 48.6155 0.0000 175.9227 84 T 3.8654 7.9589 116.9688 66.4603 68.5418 176.0198 85 A 4.0004 8.0872 122.5130 55.4395 18.5979 179.2151 86 E 3.8111 8.3898 117.2407 59.4582 29.2957 179.4899 87 T 3.8698 7.4773 114.8985 66.5688 68.8887 176.5647 88 K 4.4223 8.3018 122.0156 58.9276 31.9869 179.5641 89 I 3.7309 8.3616 120.2087 64.5260 36.9587 178.0358 90 D 4.6114 7.6025 116.4575 56.2794 40.7324 178.1082 91 Q 4.2347 7.7855 119.2466 57.7040 28.8255 177.2962 92 V 4.6588 7.5434 109.5789 60.6627 35.1349 174.2679 93 G 4.5327 8.0701 111.7487 44.6250 0.0000 175.5311 94 E 4.9417 9.3297 127.0785 54.7637 33.2964 172.5020 95 A 4.5971 9.4168 129.9790 50.7021 20.2665 176.6105 96 V 4.5523 8.7035 122.4162 60.6658 35.5146 175.2184 97 S 4.7994 8.7349 121.7152 58.0255 63.8462 175.2845 98 L 3.9654 8.2230 122.4088 57.9339 41.0178 179.8650 99 E 3.8240 7.7749 117.3708 59.3078 29.2598 179.2987 100 Q 3.8882 8.1260 118.0098 58.4430 28.8100 178.2767 101 A 3.9862 7.7594 121.3431 55.4701 18.3465 179.3374 102 I 3.1406 7.2144 116.8958 64.4883 37.1026 177.6976 103 E 4.1610 7.3432 118.5918 58.6408 29.7669 177.5217 104 N 4.7980 8.1998 114.0063 53.5560 39.9068 175.6452 105 N 4.9731 7.9459 117.5537 52.6248 40.8420 172.5835 106 P 4.6465 0.0000 0.0000 63.7333 32.1890 177.6910 107 E 4.2666 8.0438 117.8130 55.7442 30.4290 176.0180 108 G 3.3793 7.7781 107.0219 46.2683 0.0000 172.8983 109 S 4.5704 7.6795 111.1861 57.6940 66.5319 174.3016 110 H 4.0146 8.3503 116.8986 57.4104 26.0217 174.5335 111 V 4.8250 7.3349 115.9828 59.8198 34.7666 176.1760 112 R 4.5780 9.1115 123.5822 54.5547 32.7051 174.4135 113 V 4.5924 8.3971 126.4599 62.0974 32.2968 174.8731 114 I 4.7563 8.8427 129.0953 59.3781 40.5360 176.1925 115 R 4.1782 8.3575 121.7223 56.5035 29.4015 174.7403 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 S 8.33 4.44 0.00 3.99 4.03 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 2 K 8.06 4.12 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.47 7.81 3 T 8.62 4.12 4.23 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 1.20 0.00 0.00 4 N 8.01 4.33 0.00 2.71 2.70 0.00 0.00 7.21 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 5 P 0.00 4.36 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 R 9.03 3.88 0.00 1.89 1.95 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 7 L 8.14 3.90 0.00 1.74 1.67 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.96 4.15 0.00 4.10 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 9 S 7.90 4.06 0.00 4.05 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 10 L 8.05 3.84 0.00 1.69 1.82 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.64 3.64 2.00 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 1.45 0.89 0.91 0.00 0.00 12 A 7.66 3.99 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 13 D 8.61 4.25 0.00 2.71 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 14 L 8.43 3.83 0.00 1.82 1.90 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.20 3.97 0.00 2.04 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.31 4.07 0.00 3.88 4.04 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 17 A 8.24 3.97 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 18 A 7.97 4.13 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.04 0.00 1.84 2.00 0.00 3.20 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 20 S 8.12 4.04 0.00 3.97 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 21 S 7.75 4.32 0.00 4.15 4.03 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 22 G 8.57 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 0.00 0.00 0.00 23 G 7.90 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 24 A 7.96 4.57 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 25 V 7.46 3.50 1.62 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 0.48 0.00 0.00 -0.62 0.00 0.00 26 W 7.71 4.91 0.00 3.33 3.20 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 27 G 8.20 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 28 D 8.07 4.33 0.00 3.06 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 29 V 8.51 3.59 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 0.84 0.00 0.00 1.19 0.00 0.00 30 A 8.41 4.00 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 31 E 7.93 4.12 0.00 2.14 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 0.00 2.36 2.41 0.00 32 R 7.90 4.03 0.00 1.92 2.04 0.00 3.32 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 33 L 8.17 3.72 0.00 1.81 1.73 0.89 0.85 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 34 E 8.19 4.18 0.00 2.19 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 2.34 2.69 0.00 35 K 7.45 4.17 0.00 2.04 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.61 7.81 36 P 0.00 4.19 0.00 2.17 1.99 0.00 3.65 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 2.12 2.13 0.00 37 R 8.85 3.47 0.00 1.80 1.94 0.00 3.09 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 38 R 7.96 3.97 0.00 1.91 2.06 0.00 3.02 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 8.38 4.16 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 1.22 0.00 0.00 40 H 7.86 4.49 0.00 3.21 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.31 4.35 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 42 E 8.66 4.87 0.00 1.80 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 2.20 2.29 0.00 43 V 8.58 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 1.08 0.00 0.00 0.95 0.00 0.00 44 N 8.58 5.85 0.00 2.81 3.03 0.00 0.00 7.61 6.74 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 45 L 8.73 4.11 0.00 1.80 1.75 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.70 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 47 R 7.95 4.07 0.00 2.00 2.09 0.00 3.22 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 48 I 7.83 3.75 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 0.97 0.00 0.00 49 E 8.45 3.91 0.00 1.94 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 0.00 2.39 2.31 0.00 50 R 7.65 3.83 0.00 1.67 1.44 0.00 2.48 0.00 0.00 2.91 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.28 0.00 51 Y 7.59 4.69 0.00 2.99 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 52 A 7.80 4.67 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 53 Q 8.21 4.55 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 54 E 8.76 3.84 0.00 1.98 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 0.00 2.56 2.38 0.00 55 D 8.98 4.52 0.00 2.85 2.82 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 56 E 7.80 4.70 0.00 1.90 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 0.00 2.23 2.38 0.00 57 T 8.41 4.21 4.33 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 1.36 0.00 0.00 58 V 9.04 4.26 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.58 4.73 2.17 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 1.18 0.00 0.00 1.17 0.00 0.00 60 V 8.99 4.78 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 1.05 0.00 0.00 0.98 0.00 0.00 61 P 0.00 4.93 0.00 2.22 2.24 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 6.93 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 0.00 0.00 0.00 63 K 9.33 4.96 0.00 1.69 1.57 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.25 7.81 64 V 8.36 4.89 2.22 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 1.10 0.00 0.00 0.94 0.00 0.00 65 L 8.91 5.00 0.00 1.91 1.56 0.93 0.61 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 66 G 8.47 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 0.00 0.00 0.00 0.00 67 S 8.22 4.64 0.00 4.02 3.80 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 68 G 9.07 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 69 V 7.88 4.32 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.45 4.82 0.00 1.59 1.52 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.18 4.46 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.20 3.90 0.00 1.74 1.78 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.79 7.81 73 D 8.42 5.56 0.00 2.84 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 74 V 7.75 4.44 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 0.84 0.00 0.00 0.96 0.00 0.00 75 T 8.34 4.75 4.28 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 1.25 0.00 0.00 76 V 8.39 4.75 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 1.28 0.00 0.00 1.00 0.00 0.00 77 A 9.96 5.94 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 78 A 8.64 5.35 0.59 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 79 V 8.16 3.53 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 0.69 0.00 0.00 0.88 0.00 0.00 80 D 7.09 4.45 0.00 2.72 2.32 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 81 F 8.51 5.46 0.00 2.89 2.92 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 82 S 9.09 4.22 0.00 3.94 4.03 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 83 G 9.12 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 84 T 7.96 3.87 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 85 A 8.09 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 3.81 0.00 1.99 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 2.20 2.08 0.00 87 T 7.48 3.87 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 1.20 0.00 0.00 88 K 8.30 4.42 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 89 I 8.36 3.73 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.85 0.00 0.00 90 D 7.60 4.61 0.00 2.69 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 91 Q 7.79 4.23 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 92 V 7.54 4.66 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 0.77 0.00 0.00 0.96 0.00 0.00 93 G 8.07 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.33 4.94 0.00 1.94 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 2.16 2.22 0.00 95 A 9.42 4.60 0.60 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 96 V 8.70 4.55 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 1.01 0.00 0.00 0.92 0.00 0.00 97 S 8.73 4.80 0.00 4.10 4.04 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 98 L 8.22 3.97 0.00 1.72 1.62 0.97 0.83 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 99 E 7.77 3.82 0.00 2.06 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 2.28 2.32 0.00 100 Q 8.13 3.89 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.76 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.21 3.14 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.13 0.67 0.00 0.00 103 E 7.34 4.16 0.00 2.01 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 0.00 2.30 2.33 0.00 104 N 8.20 4.80 0.00 2.78 2.88 0.00 0.00 6.79 7.55 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 0.00 105 N 7.95 4.97 0.00 2.88 2.84 0.00 0.00 6.84 7.87 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 0.00 106 P 0.00 4.65 0.00 2.32 2.32 0.00 3.89 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 2.06 2.04 0.00 107 E 8.04 4.27 0.00 1.80 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 2.31 2.31 0.00 108 G 7.78 3.38 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 0.00 109 S 7.68 4.57 0.00 3.96 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 0.00 110 H 8.35 4.01 0.00 3.34 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.33 4.83 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 0.46 0.00 0.00 0.92 0.00 0.00 112 R 9.11 4.58 0.00 2.03 1.82 0.00 3.13 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 113 V 8.40 4.59 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 0.84 0.00 0.00 0.91 0.00 0.00 114 I 8.84 4.76 1.92 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 1.33 1.19 0.99 0.00 0.00 115 R 8.36 4.18 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00