NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2777 8.3044 120.3564 55.9770 33.2718 175.3526 2 L 4.2005 9.1180 124.3066 54.2395 39.9983 171.2427 3 M 4.4339 7.6399 120.3187 51.6083 35.3353 173.2109 4 P 4.5500 0.0000 0.0000 63.4143 31.8196 175.6979 5 R 4.7217 8.1551 115.5227 55.7073 31.8945 174.5847 6 R 4.3836 8.0294 122.5295 54.5365 37.2717 177.1633 7 M 3.4772 9.3184 122.6537 56.3922 32.7769 175.7058 8 K 3.8817 8.3110 123.0200 58.1760 32.6551 177.0069 9 Y 4.8417 7.3625 115.4649 55.7112 41.0028 175.8017 10 R 4.1579 8.9017 120.9305 58.0953 30.0798 177.0281 11 K 4.6786 7.9173 116.2969 54.2172 35.3654 175.1391 12 Q 4.6014 8.1893 119.0039 53.8885 31.5445 174.9514 13 Q 4.1424 8.4168 117.8173 56.0400 29.3804 178.0192 14 R 4.0122 8.6990 120.6141 57.5399 30.5692 178.1615 15 G 4.0433 7.5569 102.9456 45.0485 0.0000 172.1979 16 R 4.6795 8.3102 116.7774 55.0179 33.1451 175.8349 17 L 4.5134 8.1665 122.2113 52.7717 41.4289 174.6671 18 K 4.2424 8.5339 120.7054 55.5887 32.1621 176.2194 19 G 3.5718 7.8415 112.8137 42.4022 0.0000 168.1722 20 A 3.7759 8.5498 130.5667 51.3153 17.9067 178.1962 21 T 4.0435 7.9828 119.1084 63.8471 69.0450 174.8511 22 K 4.0552 8.5155 124.0389 57.4636 32.6108 176.7128 23 G 3.7694 7.9528 106.6419 46.5031 0.0000 171.9037 24 G 3.5784 7.6062 104.7041 46.1983 0.0000 175.5089 25 D 5.0500 7.8971 120.0514 53.6290 40.4444 176.0292 26 Y 4.6314 7.0082 116.5914 55.1018 39.7925 175.5514 27 V 4.1332 8.3925 121.2770 61.0432 31.3833 175.3880 28 A 4.7085 8.7731 128.3474 51.7382 18.7649 176.4457 29 F 4.1381 7.7815 115.4334 58.7049 42.2045 178.4952 30 G 4.4303 8.7625 115.6478 44.8075 0.0000 172.2129 31 D 4.4644 8.3552 117.8718 56.3422 41.5470 175.5513 32 Y 5.1465 8.1031 116.0366 56.6240 41.6247 174.2968 33 G 4.7232 9.2172 108.2358 45.0448 0.0000 170.6946 34 L 5.4222 9.2116 121.8233 52.9945 44.7629 175.4234 35 V 5.0262 8.8014 125.8043 59.6727 34.5641 174.7607 36 A 4.3802 8.7545 125.7952 52.1192 19.0437 177.9649 37 L 4.4610 8.9140 122.2779 55.4124 43.3023 176.9748 38 E 4.8756 7.8226 115.8846 53.2427 32.5709 174.1557 39 P 4.6576 0.0000 0.0000 63.1108 32.3036 175.1227 40 A 4.2266 8.5892 123.1712 51.7751 23.5017 175.2170 41 W 5.1858 8.6436 119.4981 55.5926 30.4098 176.3249 42 I 4.5281 8.7585 127.0875 60.5061 38.4295 176.1265 43 T 4.6099 9.3401 116.4295 60.5807 70.4979 175.8210 44 A 4.0257 8.6958 125.1176 55.4744 18.3866 180.1675 45 Q 4.0103 8.1555 115.6669 59.5892 28.2213 179.0364 46 Q 3.9902 7.7902 118.9692 58.8253 29.1758 177.8693 47 I 4.0630 7.9153 120.8795 64.8377 37.1912 177.5585 48 E 3.8546 8.2367 119.1354 59.5030 29.3451 178.6363 49 A 4.0424 7.9254 118.5797 54.0120 18.9421 177.9675 50 A 4.6037 7.8983 118.4844 52.4908 21.0741 178.7140 51 R 3.5821 8.1888 117.9610 59.3723 30.1179 179.2199 52 V 3.5230 7.6626 111.5246 64.3479 31.7659 177.9160 53 A 3.9483 8.0552 120.0430 56.2582 17.7833 178.5378 54 M 3.6769 7.7917 115.4580 58.7512 32.4609 178.3590 55 V 3.4730 8.0070 111.4525 64.5529 31.7534 178.8987 56 R 3.7606 7.9457 118.8479 59.8954 30.3421 177.5154 57 H 4.1711 7.6741 116.5316 58.0825 31.2236 175.9230 58 F 4.8544 7.4040 117.2004 54.1882 36.6086 175.0823 59 R 3.8391 8.0023 120.4615 58.8738 30.3570 177.8700 60 R 3.8994 8.8202 119.8453 57.4826 28.0498 174.7847 61 G 3.8393 7.3891 112.3856 43.9996 0.0000 171.2644 62 G 4.0510 7.9222 109.8317 44.9537 0.0000 171.3384 63 K 4.5008 8.6320 121.4645 54.5794 35.5921 176.2264 64 I 4.6706 8.1482 127.1644 59.5638 39.3656 174.8038 65 F 4.9755 9.2672 126.0528 55.7271 41.2149 174.5670 66 I 4.4844 8.4500 118.4242 59.4173 38.5546 175.5352 67 R 4.7403 9.2984 126.7376 55.4357 30.8394 176.1750 68 I 4.6708 7.9047 111.3640 58.9506 40.4206 174.4457 69 F 5.0170 8.6301 124.1647 55.6732 41.4495 172.8210 70 P 4.9751 0.0000 0.0000 62.9020 29.4380 174.9724 71 D 4.4899 8.1154 122.7580 52.7028 40.0381 175.5614 72 K 4.4422 7.6328 121.7328 54.3620 34.1247 173.4039 73 P 4.0048 0.0000 0.0000 62.6103 31.9366 175.0831 74 Y 4.6247 8.1024 126.5378 56.2212 40.4849 174.5644 75 T 4.7433 7.2546 115.5699 59.9292 72.1574 173.1237 76 K 4.1869 7.9726 119.7255 55.5225 35.6835 175.0793 77 K 4.1132 8.7176 127.1913 55.2356 32.7600 175.0799 78 P 4.2623 0.0000 0.0000 62.4233 31.6432 175.3251 79 L 4.1966 8.1902 120.3626 55.8279 42.7222 176.7855 80 E 4.1319 8.8229 122.5163 56.7773 27.0028 174.3845 81 V 4.2914 7.0652 118.2654 59.9491 33.1569 175.9109 82 R 4.4348 8.1044 118.3817 54.6334 31.1654 175.8434 83 M 3.9650 8.3064 118.1696 57.0782 32.9033 178.4330 84 G 3.7336 8.3010 107.0503 45.3961 0.0000 173.1445 85 K 3.6329 9.4643 112.8885 57.4860 29.4956 176.1083 86 G 4.0292 8.1041 101.7484 44.9832 0.0000 173.2697 87 K 4.0604 8.2141 119.9830 55.4727 32.7677 176.6272 88 G 3.9772 8.4347 112.5963 46.7209 0.0000 171.8622 89 N 4.9812 8.3350 116.7180 50.7906 40.0450 174.6793 90 V 3.8342 8.2189 119.7435 63.9691 31.7334 174.3574 91 E 4.3495 9.4692 129.0086 56.8590 30.6817 175.3681 92 G 3.9405 7.4889 110.0918 45.9965 0.0000 171.3747 93 Y 5.1429 8.5406 120.4026 56.4999 42.9335 174.4051 94 V 4.9539 8.7714 114.1381 59.5903 36.8564 174.1544 95 A 4.9594 8.9995 123.2475 49.9569 21.6031 176.0974 96 V 4.2135 8.4384 122.7709 63.1082 32.9321 175.7497 97 V 4.4258 8.7641 126.3749 61.7285 34.7577 173.8661 98 K 4.8914 8.6155 126.5889 53.5031 35.9974 173.9923 99 P 4.3555 0.0000 0.0000 64.7111 31.7829 177.5848 100 G 4.0034 9.4306 111.5802 44.8999 0.0000 172.9583 101 R 4.3159 7.7429 121.7222 56.1586 31.0836 175.8213 102 V 4.1487 8.8001 128.1775 62.8675 30.9949 175.9235 103 M 4.1936 9.0839 128.2345 57.7875 32.5320 176.8967 104 F 5.8814 7.3864 115.1679 55.8142 43.5260 173.5737 105 E 5.3251 8.6325 112.8492 56.2393 33.0613 175.9648 106 V 4.8965 8.6997 117.0374 60.2904 34.3912 174.7682 107 A 5.0390 8.6206 123.3530 50.6016 22.9976 176.0200 108 G 3.9037 9.0395 106.3947 45.7843 0.0000 173.5710 109 V 4.2890 7.1091 114.9211 60.2584 35.0326 173.6779 110 T 4.1490 8.1431 114.8794 61.3065 70.8298 175.3676 111 E 3.1662 8.7452 121.3544 59.0197 29.1607 179.2651 112 E 3.8743 7.9624 117.7417 59.6250 30.0970 178.6156 113 Q 4.2951 7.8767 117.2545 57.0441 28.8428 177.3767 114 A 4.2205 7.8459 123.2331 54.7150 18.3617 180.7007 115 M 4.4373 7.6914 115.0930 55.0170 32.4795 177.1696 116 E 4.3957 9.3396 120.0673 57.1535 32.3316 177.1845 117 A 3.8023 7.7360 118.8894 53.6364 18.1832 178.9736 118 L 4.0487 7.6265 117.1295 56.9733 42.4427 178.4868 119 R 4.0402 7.9778 116.5880 59.6146 30.0630 178.1210 120 I 3.9565 7.9423 119.2515 64.1778 37.1991 178.0094 121 A 4.1468 7.5912 121.4699 55.2223 18.1992 179.5886 122 G 3.6863 8.6105 104.4969 48.6004 0.0000 175.0478 123 H 4.5199 7.9198 115.4292 57.0727 28.8652 176.7087 124 K 4.3826 8.4078 119.6200 55.3874 32.5836 175.9443 125 L 4.7590 7.1750 120.7509 52.0732 43.6019 175.5503 126 P 4.4537 0.0000 0.0000 63.9350 31.3450 175.1937 127 I 4.9248 6.9742 110.6918 57.8697 40.8314 174.2003 128 K 4.5539 8.3931 119.1494 55.8185 33.3585 176.4663 129 T 5.1623 8.3559 113.2648 59.8563 72.3683 172.7337 130 K 4.6924 9.0220 122.3112 54.9323 36.0444 174.9473 131 I 4.9370 8.3708 126.1170 60.6273 38.7964 175.3039 132 V 4.6910 8.5736 117.1521 59.9730 36.5312 174.0391 133 R 4.7407 8.2072 121.2986 54.0533 33.1281 174.9462 134 R 3.9946 7.8478 122.5246 57.1384 32.1484 172.9408 135 D 4.6647 8.5560 122.4888 54.0336 44.5568 176.3240 136 A 3.7637 8.8254 129.2696 56.8720 18.8773 177.6612 137 Y 4.0830 7.7506 115.9908 56.8731 39.6775 175.2342 138 D 4.9062 8.2690 125.6437 53.0203 45.2647 175.7833 139 E 4.4252 8.3652 121.9557 54.1326 28.0699 175.0883 140 A 4.4814 7.3655 122.3813 52.5400 22.2771 176.8681 141 Q 4.1424 8.3652 115.6944 56.8663 29.7428 174.5224 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 8.30 4.28 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 L 9.12 4.20 0.00 1.84 2.12 1.02 0.70 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 3 M 7.64 4.43 0.00 1.83 0.85 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 4 P 0.00 4.55 0.00 2.12 2.04 0.00 2.68 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 5 R 8.16 4.72 0.00 1.75 1.89 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 6 R 8.03 4.38 0.00 1.78 1.12 0.00 3.45 0.00 0.00 3.13 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 7 M 9.32 3.48 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 8 K 8.31 3.88 0.00 0.79 1.23 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.32 7.81 9 Y 7.36 4.84 0.00 2.96 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 10 R 8.90 4.16 0.00 1.95 2.10 0.00 2.99 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 11 K 7.92 4.68 0.00 1.70 1.67 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.36 7.81 12 Q 8.19 4.60 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 13 Q 8.42 4.14 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 14 R 8.70 4.01 0.00 1.89 2.14 0.00 3.48 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 15 G 7.56 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 0.00 0.00 0.00 16 R 8.31 4.68 0.00 1.75 1.77 0.00 3.19 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 17 L 8.17 4.51 0.00 1.57 1.56 0.70 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.53 4.24 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 19 G 7.84 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 0.00 0.00 0.00 20 A 8.55 3.78 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 21 T 7.98 4.04 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 1.28 0.00 0.00 22 K 8.52 4.06 0.00 1.71 1.81 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 23 G 7.95 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 24 G 7.61 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 25 D 7.90 5.05 0.00 2.76 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 26 Y 7.01 4.63 0.00 2.84 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 27 V 8.39 4.13 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 0.79 0.00 0.00 1.17 0.00 0.00 28 A 8.77 4.71 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 29 F 7.78 4.14 0.00 2.74 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.46 0.00 3.17 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 32 Y 8.10 5.15 0.00 2.99 2.95 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 0.00 0.00 0.00 33 G 9.22 4.72 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 34 L 9.21 5.42 0.00 1.79 1.49 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.80 5.03 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 0.95 0.00 0.00 1.00 0.00 0.00 36 A 8.75 4.38 1.24 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 37 L 8.91 4.46 0.00 1.58 1.71 0.93 0.72 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 38 E 7.82 4.88 0.00 1.96 1.99 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 2.21 2.22 0.00 39 P 0.00 4.66 0.00 2.04 2.07 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 40 A 8.59 4.23 1.18 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 41 W 8.64 5.19 0.00 3.22 2.89 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 42 I 8.76 4.53 1.90 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 1.25 0.50 0.95 0.00 0.00 43 T 9.34 4.61 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 1.13 0.00 0.00 44 A 8.70 4.03 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.16 4.01 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 46 Q 7.79 3.99 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 47 I 7.92 4.06 2.12 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 1.62 0.81 1.06 0.00 0.00 48 E 8.24 3.85 0.00 2.13 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 2.33 2.39 0.00 49 A 7.93 4.04 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 50 A 7.90 4.60 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 0.00 0.00 0.00 0.00 0.00 51 R 8.19 3.58 0.00 1.79 2.08 0.00 2.99 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 52 V 7.66 3.52 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 0.91 0.00 0.00 0.91 0.00 0.00 53 A 8.06 3.95 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 54 M 7.79 3.68 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 55 V 8.01 3.47 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 0.69 0.00 0.00 0.95 0.00 0.00 56 R 7.95 3.76 0.00 1.80 2.00 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 1.63 1.72 0.00 57 H 7.67 4.17 0.00 3.16 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.40 4.85 0.00 2.96 3.18 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 59 R 8.00 3.84 0.00 1.97 2.04 0.00 3.19 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 60 R 8.82 3.90 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 61 G 7.39 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 62 G 7.92 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 63 K 8.63 4.50 0.00 1.66 1.27 0.00 1.58 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.82 1.21 7.81 64 I 8.15 4.67 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 0.70 0.00 0.00 65 F 9.27 4.98 0.00 3.05 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 66 I 8.45 4.48 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.54 0.00 0.00 67 R 9.30 4.74 0.00 1.97 1.87 0.00 2.83 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.42 0.00 68 I 7.90 4.67 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.84 0.91 0.00 0.00 69 F 8.63 5.02 0.00 2.81 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 70 P 0.00 4.98 0.00 2.13 2.05 0.00 3.61 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 71 D 8.12 4.49 0.00 2.63 2.42 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 72 K 7.63 4.44 0.00 1.65 1.51 0.00 1.30 0.00 0.00 0.83 0.00 0.00 2.68 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.11 1.25 7.81 73 P 0.00 4.00 0.00 1.87 1.88 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 74 Y 8.10 4.62 0.00 2.88 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 75 T 7.25 4.74 4.16 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 1.04 0.00 0.00 76 K 7.97 4.19 0.00 1.46 1.53 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.31 7.81 77 K 8.72 4.11 0.00 1.75 1.70 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 78 P 0.00 4.26 0.00 2.02 2.03 0.00 3.64 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 2.02 2.08 0.00 79 L 8.19 4.20 0.00 1.67 1.52 0.92 0.89 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 80 E 8.82 4.13 0.00 2.17 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 2.20 2.28 0.00 81 V 7.07 4.29 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 0.92 0.00 0.00 82 R 8.10 4.43 0.00 1.93 1.96 0.00 3.06 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 83 M 8.31 3.97 0.00 2.02 2.07 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 2.61 2.51 0.00 84 G 8.30 3.73 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 0.00 0.00 0.00 85 K 9.46 3.63 0.00 1.89 1.87 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.35 7.81 86 G 8.10 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 0.00 0.00 0.00 87 K 8.21 4.06 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 88 G 8.43 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 0.00 0.00 0.00 89 N 8.34 4.98 0.00 2.80 2.90 0.00 0.00 5.55 7.68 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 90 V 8.22 3.83 1.99 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 0.47 0.00 0.00 0.84 0.00 0.00 91 E 9.47 4.35 0.00 1.75 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 0.00 2.48 2.38 0.00 92 G 7.49 3.94 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 0.00 0.00 0.00 93 Y 8.54 5.14 0.00 2.82 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 94 V 8.77 4.95 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 0.61 0.00 0.00 0.35 0.00 0.00 95 A 9.00 4.96 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 96 V 8.44 4.21 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 0.98 0.00 0.00 0.93 0.00 0.00 97 V 8.76 4.43 2.28 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 0.84 0.00 0.00 0.93 0.00 0.00 98 K 8.62 4.89 0.00 1.72 1.66 0.00 1.85 0.00 0.00 1.97 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.46 7.81 99 P 0.00 4.36 0.00 2.15 2.13 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 100 G 9.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.32 0.00 1.94 1.83 0.00 3.22 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 102 V 8.80 4.15 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 0.92 0.00 0.00 0.99 0.00 0.00 103 M 9.08 4.19 0.00 1.55 1.43 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.37 0.00 104 F 7.39 5.88 0.00 2.99 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 0.00 105 E 8.63 5.33 0.00 2.39 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 0.00 2.31 2.59 0.00 106 V 8.70 4.90 2.30 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 0.99 0.00 0.00 1.17 0.00 0.00 107 A 8.62 5.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 9.04 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 0.00 109 V 7.11 4.29 1.96 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 0.62 0.00 0.00 0.37 0.00 0.00 110 T 8.14 4.15 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 1.24 0.00 0.00 111 E 8.75 3.17 0.00 2.05 2.36 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 2.39 2.34 0.00 112 E 7.96 3.87 0.00 2.14 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 0.00 2.25 2.41 0.00 113 Q 7.88 4.30 0.00 2.26 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 114 A 7.85 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 M 7.69 4.44 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 116 E 9.34 4.40 0.00 1.92 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 0.00 2.28 2.29 0.00 117 A 7.74 3.80 0.97 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 0.00 118 L 7.63 4.05 0.00 1.72 1.75 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.98 4.04 0.00 1.79 2.11 0.00 3.27 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 120 I 7.94 3.96 1.83 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 1.75 1.07 0.92 0.00 0.00 121 A 7.59 4.15 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 0.00 122 G 8.61 3.69 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 0.00 0.00 0.00 123 H 7.92 4.52 0.00 3.34 3.35 0.00 5.65 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 0.00 124 K 8.41 4.38 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.75 7.81 125 L 7.17 4.76 0.00 1.78 1.50 0.71 1.01 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 0.00 126 P 0.00 4.45 0.00 2.15 2.16 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 127 I 6.97 4.92 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.50 0.88 0.00 0.00 128 K 8.39 4.55 0.00 1.71 1.74 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.41 7.81 129 T 8.36 5.16 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 1.12 0.00 0.00 130 K 9.02 4.69 0.00 1.81 1.62 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.47 7.81 131 I 8.37 4.94 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 1.10 0.00 0.00 132 V 8.57 4.69 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 0.72 0.00 0.00 0.98 0.00 0.00 133 R 8.21 4.74 0.00 1.25 1.57 0.00 2.99 0.00 0.00 2.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.00 134 R 7.85 3.99 0.00 1.80 1.86 0.00 3.29 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 135 D 8.56 4.66 0.00 2.63 1.89 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 0.00 136 A 8.83 3.76 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 0.00 137 Y 7.75 4.08 0.00 3.05 2.85 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 0.00 0.00 0.00 138 D 8.27 4.91 0.00 2.60 2.46 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 0.00 139 E 8.37 4.43 0.00 1.90 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 2.07 2.13 0.00 140 A 7.37 4.48 1.18 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 0.00 141 Q 8.37 4.14 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00