NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3060 8.3144 122.1429 54.4561 32.2844 173.5574 8 V 4.2217 8.0656 124.7880 59.3102 33.6242 173.0699 9 L 4.5018 9.2857 131.7173 53.9284 42.9752 175.0953 10 K 4.4255 8.6041 127.1037 55.6732 33.5205 176.1954 11 I 5.0190 8.3848 125.2324 59.4520 40.2193 174.5125 12 Q 4.5892 9.4512 128.2508 54.2649 31.3826 174.1010 13 L 4.6573 8.4978 126.8495 54.0520 41.8820 177.0312 14 R 4.3090 9.1657 124.6788 58.1548 30.9659 176.5052 15 S 4.4697 7.8231 111.7415 56.9588 65.4626 175.2030 16 A 4.0015 8.6823 123.3628 55.5080 18.2549 179.0694 17 S 4.2810 8.0303 110.0615 60.0244 63.3490 174.4874 18 A 4.5076 7.6949 123.4942 52.1169 18.7315 176.7668 19 T 4.4347 8.0543 116.6104 61.0387 71.0831 174.6068 20 V 3.6161 8.3507 125.9483 62.4710 31.9025 173.7546 21 P 5.2780 0.0000 0.0000 62.8773 32.0174 175.7488 22 T 4.9051 8.5951 111.8439 59.8199 72.2855 173.1697 23 K 4.3257 8.9004 123.8495 56.3853 32.5170 177.5152 24 G 3.7911 8.7641 112.1328 46.8722 0.0000 173.0664 25 S 4.5158 7.4734 112.9886 56.7973 65.8940 174.9233 26 A 3.9546 8.6879 123.6303 54.9546 18.0224 178.7148 27 T 4.4492 7.5559 102.8670 61.0794 69.1979 174.2280 28 A 3.9899 7.4439 124.4554 52.6112 18.8646 178.7367 29 A 4.0112 8.6627 124.8351 54.3982 18.6994 177.6440 30 G 4.2372 7.4838 100.0316 44.6613 0.0000 171.6478 31 Y 4.9313 8.7862 117.8818 55.9771 40.4504 175.5740 32 D 4.6471 9.6669 125.1040 54.5201 42.4873 175.2172 33 I 4.8017 8.7359 123.8659 59.8418 39.5566 174.1051 34 Y 5.2400 8.6907 124.1540 55.7944 40.1392 175.6559 35 A 4.5010 9.4399 126.1154 52.5345 19.3922 178.0853 36 S 4.7426 8.9751 114.9547 58.0691 64.1824 174.2153 37 Q 4.6908 7.6729 118.2043 54.4321 32.6245 174.2105 38 D 4.7089 8.6952 122.4598 55.0209 41.7867 175.2702 39 I 4.3349 8.3785 120.1415 60.7495 42.2215 172.8652 40 T 5.0293 8.4253 121.6091 61.7740 71.8362 173.7492 41 I 4.3588 8.7294 127.1984 59.1457 38.6679 173.6627 42 P 4.9173 0.0000 0.0000 61.8818 32.6017 176.2548 43 A 4.1837 9.0036 126.4002 54.3962 18.6792 177.4431 44 M 3.5494 8.1728 119.2724 55.2160 30.8040 176.9842 45 G 4.5327 7.9691 107.6341 44.9961 0.0000 171.7905 46 Q 5.2621 8.7500 117.2243 54.9853 32.5249 174.1073 47 G 4.2758 8.6345 105.4043 45.6496 0.0000 171.7205 48 M 5.3600 8.4377 118.9282 53.3106 35.3873 175.2855 49 V 4.3582 8.5767 123.6510 61.2904 33.8245 175.2302 50 S 4.9493 8.6894 123.8321 58.6456 63.7549 174.8209 51 T 4.5696 8.7369 110.9003 60.5825 70.7291 173.8344 52 D 4.4845 8.7863 121.4800 55.0758 39.3458 172.5821 53 I 5.1406 7.9133 110.8426 59.3074 40.8362 174.4022 54 S 5.0815 8.7285 119.2968 57.0147 66.7464 172.9202 55 F 5.3835 7.9072 115.1855 56.1861 41.1781 173.6613 56 T 4.6662 8.7662 117.2390 61.8521 70.1816 174.7567 57 V 4.1500 8.6565 119.9579 60.4341 32.6036 174.6933 58 P 4.4813 0.0000 0.0000 62.2188 32.5964 176.2683 59 V 3.5515 8.3712 121.4190 64.9296 32.0393 176.4365 60 G 3.9711 9.1724 113.5277 45.7831 0.0000 172.1887 61 T 5.4739 7.6405 108.7697 59.8334 72.3573 172.0441 62 Y 4.9739 8.6514 118.9576 55.1600 42.3262 174.4803 63 G 4.1921 9.3869 107.8752 44.9722 0.0000 172.6950 64 R 5.1860 8.6753 127.8080 54.9352 31.8306 175.3828 65 I 4.5919 8.8592 128.7227 60.9944 37.3154 175.2039 66 A 4.9718 9.3501 129.9729 49.0160 22.2485 173.7432 67 P 4.6568 0.0000 0.0000 62.5973 32.7885 176.2584 68 R 4.2520 8.3845 120.8098 55.6515 31.1470 177.8727 69 S 4.2271 8.8548 119.4427 61.6355 62.8545 177.0788 70 G 3.5797 7.9906 107.9418 47.8084 0.0000 175.6469 71 L 3.9487 7.8470 120.6416 57.1301 41.7184 179.3337 72 A 4.2504 7.5871 121.8334 54.6022 18.2042 179.6989 73 V 3.4852 7.8017 115.6042 66.0547 31.7812 177.8727 74 K 4.3418 8.4220 115.6825 57.1630 32.4691 177.0130 75 N 4.8110 7.5787 112.7616 51.8316 40.6172 174.7089 76 G 3.8644 8.1219 106.4916 46.1151 0.0000 172.8667 77 I 4.6406 7.3301 120.6166 60.2292 38.5828 174.8834 78 Q 4.8169 9.0381 127.2615 54.3341 32.6932 174.2055 79 T 4.5724 8.6913 114.9679 61.4794 70.2546 174.1953 80 G 4.1687 8.5687 111.8301 43.8857 0.0000 175.4476 81 A 3.5412 10.0500 124.2224 53.4312 17.8564 179.9788 82 G 3.9599 9.0244 107.1342 47.3181 0.0000 172.5026 83 V 4.4126 7.4228 119.1627 62.0220 31.5204 174.8572 84 V 4.1410 9.1077 129.3938 61.2163 32.8074 174.9392 85 D 4.9053 8.5927 128.1737 53.9295 41.6147 177.7574 86 R 4.0037 8.9790 121.7815 59.0977 30.1960 176.9119 87 D 4.7416 8.0135 114.6352 52.9613 39.8551 175.1871 88 Y 4.3580 7.9608 122.5616 57.6989 39.0959 174.9913 89 T 4.1645 7.8420 115.4203 61.0005 69.5200 174.1092 90 G 3.4653 5.5377 111.3542 44.3586 0.0000 172.8124 91 E 4.1235 8.2862 120.2019 55.8064 30.0717 176.0441 92 V 4.0533 8.6400 127.3635 62.6329 31.9734 175.2223 93 K 4.8205 8.7160 127.0508 54.6789 34.9612 175.6389 94 V 4.1969 8.3946 123.6772 61.4881 33.3747 174.7932 95 V 4.2299 8.2484 128.3209 62.1377 33.0661 174.3212 96 L 5.0714 8.4482 127.4985 52.9243 44.9559 175.4884 97 F 5.2406 8.8253 122.8897 56.4230 41.1409 174.4222 98 N 5.2650 9.0577 122.1016 52.5854 40.1900 174.3669 99 H 4.7724 9.1884 123.8225 56.4088 29.9456 175.8451 100 S 4.6073 8.2749 114.7693 57.2709 65.2885 174.7188 101 Q 4.3790 8.6132 116.5392 56.0569 28.6910 175.7655 102 R 4.6909 7.7091 118.0604 53.9885 32.2832 175.4715 103 D 4.7257 8.9726 123.6184 55.1673 41.9315 176.0927 104 F 4.9798 9.3526 124.4749 56.4709 41.4555 174.0261 105 A 4.4848 8.2616 128.7547 51.1346 19.6475 176.0970 106 I 4.1467 8.5604 124.0067 59.3084 40.1122 175.1152 107 K 4.8505 8.9296 126.2005 54.1309 34.5668 176.0527 108 K 3.7936 9.0146 124.3085 58.7004 32.2725 177.0116 109 G 4.1032 9.0449 115.3223 45.0938 0.0000 173.3335 110 D 4.7046 8.2339 120.2836 54.1275 42.2869 175.8362 111 R 4.3084 8.4678 121.0371 56.2374 30.2885 176.7125 112 V 4.5404 8.6545 115.7719 61.0091 34.2112 174.8470 113 A 4.5775 7.2931 120.7769 51.4542 22.5233 174.6368 114 Q 4.9694 9.0564 116.6932 54.4504 32.5015 174.4190 115 L 4.8494 9.1977 124.0845 54.0580 43.7536 174.9631 116 I 4.6050 8.4816 127.9865 59.6233 39.4834 175.7406 117 L 4.6328 8.4785 127.9956 53.7710 40.3377 174.6797 118 E 4.0674 8.2272 121.9826 55.7307 30.6867 176.3271 119 K 4.8187 8.6574 124.8082 56.5161 32.9116 176.2900 120 I 4.6675 8.2799 116.3706 59.6989 41.2385 174.7823 121 V 4.0165 8.4060 123.3820 62.0801 31.0336 175.2435 122 D 4.8405 8.6606 126.6411 53.2780 40.1962 176.2498 123 D 4.9265 7.6633 119.4855 52.8356 39.9067 176.1242 124 A 4.2102 8.0271 121.3208 53.3227 19.2606 177.5658 125 Q 4.4579 8.2858 118.7127 54.7041 30.1314 175.8083 126 I 4.1885 8.1450 123.1745 60.2641 38.2371 175.4508 127 V 4.3206 8.1878 124.1260 60.8886 33.9865 174.4111 128 V 4.2510 8.3877 126.6991 61.3730 32.5569 175.1496 129 V 4.6076 7.9519 119.3474 59.3505 35.2130 175.5350 130 D 4.5394 8.7580 122.3463 56.9773 40.9767 177.1355 131 S 4.6955 7.4822 110.3594 56.3965 66.1476 173.7098 132 L 4.1827 8.4281 120.3787 55.2298 41.4860 176.9772 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 7 K 8.31 4.31 0.00 1.79 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 V 8.07 4.22 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 0.90 0.00 0.00 0.94 0.00 0.00 9 L 9.29 4.50 0.00 1.51 1.39 0.67 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.60 4.43 0.00 1.83 1.73 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.43 7.81 11 I 8.38 5.02 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.96 0.00 0.00 12 Q 9.45 4.59 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 13 L 8.50 4.66 0.00 1.56 1.60 0.91 1.01 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 14 R 9.17 4.31 0.00 1.70 1.97 0.00 3.15 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 S 7.82 4.47 0.00 3.95 3.93 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 16 A 8.68 4.00 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 17 S 8.03 4.28 0.00 4.06 4.08 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 0.00 0.00 0.00 18 A 7.69 4.51 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 19 T 8.05 4.43 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 0.59 0.00 0.00 20 V 8.35 3.62 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 0.78 0.00 0.00 0.91 0.00 0.00 21 P 0.00 5.28 0.00 1.85 2.14 0.00 3.70 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 22 T 8.60 4.91 4.36 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 1.36 0.00 0.00 23 K 8.90 4.33 0.00 1.60 1.76 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.41 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.75 1.27 7.81 24 G 8.76 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 25 S 7.47 4.52 0.00 3.94 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 26 A 8.69 3.95 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 27 T 7.56 4.45 4.20 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 1.18 0.00 0.00 28 A 7.44 3.99 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 29 A 8.66 4.01 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 30 G 7.48 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 31 Y 8.79 4.93 0.00 2.82 2.86 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 0.00 0.00 0.00 32 D 9.67 4.65 0.00 2.42 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 0.00 0.00 0.00 33 I 8.74 4.80 1.98 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 1.25 1.05 0.99 0.00 0.00 34 Y 8.69 5.24 0.00 2.85 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 35 A 9.44 4.50 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 36 S 8.98 4.74 0.00 3.87 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 37 Q 7.67 4.69 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 38 D 8.70 4.71 0.00 2.54 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 39 I 8.38 4.33 1.87 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 1.23 1.28 0.91 0.00 0.00 40 T 8.43 5.03 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 1.22 0.00 0.00 41 I 8.73 4.36 2.08 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 1.44 1.23 1.01 0.00 0.00 42 P 0.00 4.92 0.00 2.10 1.99 0.00 3.75 0.00 0.00 3.98 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 43 A 9.00 4.18 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 44 M 8.17 3.55 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 45 G 7.97 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 46 Q 8.75 5.26 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 47 G 8.63 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 0.00 0.00 0.00 0.00 48 M 8.44 5.36 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 49 V 8.58 4.36 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 1.00 0.00 0.00 1.01 0.00 0.00 50 S 8.69 4.95 0.00 3.84 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 51 T 8.74 4.57 4.34 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 1.34 0.00 0.00 52 D 8.79 4.48 0.00 2.87 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 53 I 7.91 5.14 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 1.04 0.00 0.00 54 S 8.73 5.08 0.00 3.69 3.57 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 55 F 7.91 5.38 0.00 2.98 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 56 T 8.77 4.67 4.30 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 1.30 0.00 0.00 57 V 8.66 4.15 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 0.82 0.00 0.00 1.11 0.00 0.00 58 P 0.00 4.48 0.00 2.09 1.98 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 59 V 8.37 3.55 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 0.80 0.00 0.00 0.95 0.00 0.00 60 G 9.17 3.97 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 0.00 0.00 0.00 61 T 7.64 5.47 4.31 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 1.22 0.00 0.00 62 Y 8.65 4.97 0.00 3.28 3.10 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 0.00 0.00 0.00 63 G 9.39 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 64 R 8.68 5.19 0.00 1.73 1.71 0.00 3.21 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 65 I 8.86 4.59 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.95 0.00 0.00 66 A 9.35 4.97 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 67 P 0.00 4.66 0.00 2.07 2.06 0.00 3.77 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 1.98 2.17 0.00 68 R 8.38 4.25 0.00 1.86 1.86 0.00 3.12 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 69 S 8.85 4.23 0.00 3.84 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 70 G 7.99 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 0.00 0.00 0.00 71 L 7.85 3.95 0.00 1.69 1.37 1.03 1.09 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 72 A 7.59 4.25 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 73 V 7.80 3.49 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 0.85 0.00 0.00 0.93 0.00 0.00 74 K 8.42 4.34 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 75 N 7.58 4.81 0.00 2.28 2.51 0.00 0.00 6.96 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 76 G 8.12 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.33 4.64 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.05 0.80 0.00 0.00 78 Q 9.04 4.82 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 79 T 8.69 4.57 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 1.21 0.00 0.00 80 G 8.57 4.17 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 0.00 81 A 10.05 3.54 1.05 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 82 G 9.02 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 0.00 0.00 0.00 83 V 7.42 4.41 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 0.50 0.00 0.00 0.88 0.00 0.00 84 V 9.11 4.14 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 0.82 0.00 0.00 1.01 0.00 0.00 85 D 8.59 4.91 0.00 2.74 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 86 R 8.98 4.00 0.00 1.86 2.04 0.00 3.28 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 87 D 8.01 4.74 0.00 2.85 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 88 Y 7.96 4.36 0.00 2.88 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 89 T 7.84 4.16 4.08 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 0.00 0.00 1.12 0.00 0.00 90 G 5.54 3.47 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 0.00 0.00 0.00 0.00 91 E 8.29 4.12 0.00 1.92 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 2.32 2.40 0.00 92 V 8.64 4.05 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 0.92 0.00 0.00 0.48 0.00 0.00 93 K 8.72 4.82 0.00 1.66 1.77 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.38 1.36 7.81 94 V 8.39 4.20 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 0.99 0.00 0.00 0.98 0.00 0.00 95 V 8.25 4.23 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 0.33 0.00 0.00 0.84 0.00 0.00 96 L 8.45 5.07 0.00 1.59 1.50 1.02 0.69 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 97 F 8.83 5.24 0.00 3.09 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 98 N 9.06 5.27 0.00 2.82 2.90 0.00 0.00 6.98 7.51 0.00 0.00 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 H 9.19 4.77 0.00 3.19 3.34 0.00 5.89 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 0.00 100 S 8.27 4.61 0.00 3.93 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 0.00 101 Q 8.61 4.38 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 102 R 7.71 4.69 0.00 1.73 1.88 0.00 3.24 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 103 D 8.97 4.73 0.00 2.59 2.67 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 0.00 104 F 9.35 4.98 0.00 2.94 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 0.00 105 A 8.26 4.48 1.09 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 0.00 106 I 8.56 4.15 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.29 0.89 0.00 0.00 107 K 8.93 4.85 0.00 2.00 1.69 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.38 7.81 108 K 9.01 3.79 0.00 1.76 1.77 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.45 7.81 109 G 9.04 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.23 4.70 0.00 2.70 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 0.00 111 R 8.47 4.31 0.00 1.60 1.69 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.70 0.00 112 V 8.65 4.54 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 0.80 0.00 0.00 1.00 0.00 0.00 113 A 7.29 4.58 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 0.00 114 Q 9.06 4.97 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 115 L 9.20 4.85 0.00 1.69 1.71 0.73 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.48 4.60 1.80 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 1.18 0.45 0.84 0.00 0.00 117 L 8.48 4.63 0.00 1.54 1.61 0.99 0.85 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 0.00 118 E 8.23 4.07 0.00 1.16 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 2.15 1.97 0.00 119 K 8.66 4.82 0.00 1.66 1.76 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 120 I 8.28 4.67 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 1.26 0.00 0.00 121 V 8.41 4.02 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 0.93 0.00 0.00 0.95 0.00 0.00 122 D 8.66 4.84 0.00 2.84 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 0.00 123 D 7.66 4.93 0.00 2.77 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 0.00 124 A 8.03 4.21 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 0.00 125 Q 8.29 4.46 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 126 I 8.14 4.19 1.87 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 0.50 0.91 0.00 0.00 127 V 8.19 4.32 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.39 4.25 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 0.93 0.00 0.00 129 V 7.95 4.61 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 0.81 0.00 0.00 1.00 0.00 0.00 130 D 8.76 4.54 0.00 2.64 2.73 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 0.00 0.00 0.00 131 S 7.48 4.70 0.00 3.91 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 0.00 132 L 8.43 4.18 0.00 1.66 1.62 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00