NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4567 8.3044 120.3296 55.4928 33.4950 175.1850 2 H 4.1371 8.8522 121.6465 58.3424 30.2574 173.6450 3 H 4.9946 8.6977 114.2228 54.2773 33.4643 172.2703 4 H 4.6993 8.6747 117.5943 54.2555 30.1422 173.2291 5 H 4.7665 8.4442 120.1146 54.3690 29.8331 175.1680 6 H 4.4074 8.6302 116.9325 55.6622 29.0874 175.7972 7 H 4.4294 8.5777 122.3396 56.1327 27.6802 174.3053 8 S 4.5517 7.9763 114.8821 57.2109 64.0126 174.2335 9 S 4.5806 8.0464 113.6579 58.7922 63.2170 173.6159 10 G 4.0140 7.4752 109.6346 43.6934 0.0000 173.3927 11 L 4.5918 8.2257 122.3699 52.8663 44.0629 176.8741 12 V 4.1375 8.0852 121.0174 60.8358 30.8582 172.9679 13 P 4.8588 0.0000 0.0000 61.3858 33.1139 175.2658 14 R 4.2520 8.4473 117.7782 57.8095 32.8228 175.7623 15 G 3.6825 7.9907 102.2353 46.3501 0.0000 173.2819 16 S 4.3825 7.6977 109.2521 58.1445 63.5063 173.3343 17 D 4.6040 7.9079 119.4119 54.6107 40.0733 175.2846 18 T 4.6745 8.2204 115.6125 61.0868 70.0646 176.3827 19 S 2.7900 7.9893 119.2347 61.2672 62.6200 176.2216 20 K 4.0796 7.6615 119.8360 58.5124 32.5078 178.5002 21 F 4.1506 7.9801 119.4886 59.4226 39.0846 175.8023 22 W 4.5937 7.4890 114.2027 56.8135 30.8897 175.0954 23 Y 5.0824 7.9861 122.8538 56.4606 38.4712 175.9539 24 K 4.4089 8.8130 128.1118 55.1186 34.2631 174.8195 25 P 4.4230 0.0000 0.0000 64.1238 31.6753 176.9112 26 H 4.6722 8.0198 113.6331 55.7283 29.2635 174.8431 27 L 4.3530 7.4413 120.2683 53.9197 43.0413 176.4672 28 S 4.6232 8.0517 115.8853 56.3620 65.7137 174.8569 29 R 3.8703 8.2689 121.9962 59.9567 29.6217 177.9641 30 D 4.3913 8.0116 117.7622 57.4042 40.6837 178.6983 31 Q 4.0236 8.0351 118.0639 58.5538 28.7954 178.2656 32 A 4.0112 8.1851 122.1506 55.3145 18.3938 179.7865 33 I 3.7003 8.0359 118.1712 64.3880 36.8989 178.4349 34 A 3.9917 7.8485 120.9224 55.0711 18.4429 179.5183 35 L 4.1082 7.7558 117.4155 58.0399 41.8539 179.6863 36 L 4.1650 8.1173 118.7303 56.9599 41.3127 178.8768 37 K 4.3114 8.2218 117.3732 58.1350 32.7912 177.0184 38 D 4.8800 7.9670 118.7443 53.9587 41.6909 175.8285 39 K 4.6469 7.7487 119.0604 54.2478 34.6660 175.6190 40 D 4.4894 8.4139 121.8923 52.7470 41.9589 173.5782 41 P 4.5228 0.0000 0.0000 64.2474 31.3117 174.5597 42 G 3.5691 8.9403 115.5900 45.5446 0.0000 173.6317 43 A 4.9570 8.3372 122.4495 51.4873 19.7933 176.6428 44 F 5.4216 8.3430 114.1004 55.9176 41.7243 173.1012 45 L 4.7994 8.9892 117.4508 54.5140 44.1272 174.7764 46 I 5.2639 9.2236 122.6574 59.9646 39.8313 174.9956 47 R 4.9371 9.0195 124.1421 53.4365 32.9606 173.8758 48 D 5.1863 8.6384 117.6787 53.5328 42.8944 175.6842 49 S 4.8400 8.7223 118.9515 57.4775 63.0850 174.0184 50 H 4.5072 9.0936 123.2857 57.5545 29.3587 177.0612 51 S 4.1037 7.8894 115.8022 60.7073 62.8991 174.5097 52 F 4.8964 7.7470 116.4420 55.0797 42.2161 174.7267 53 Q 4.0739 8.7040 122.6232 57.3339 29.3084 176.1524 54 G 3.7122 9.1447 109.4649 46.0806 0.0000 172.1552 55 A 5.1714 7.5850 119.0222 49.9008 23.0711 175.2931 56 Y 5.0801 9.3534 118.4858 56.1518 41.2068 175.2287 57 G 4.2305 8.9922 111.8508 45.3442 0.0000 172.2428 58 L 5.1952 9.4291 129.3345 53.7594 43.9285 174.8720 59 A 5.1328 8.9777 128.9497 50.1260 21.4299 174.6975 60 L 5.1547 9.0967 125.2778 53.1935 45.4619 175.1880 61 K 4.6574 8.9112 128.0709 55.9107 33.0835 176.3289 62 V 4.5686 8.6671 121.3775 59.8058 33.6716 176.7973 63 A 4.0910 8.7469 124.4389 54.7636 18.4707 178.4178 64 T 4.5023 7.5969 105.0263 60.6377 70.8464 171.3218 65 P 4.7705 0.0000 0.0000 61.6681 31.7412 173.4124 66 P 4.8018 0.0000 0.0000 61.2024 32.9087 174.0895 67 P 4.5044 0.0000 0.0000 64.6617 32.0690 177.7074 68 S 4.3047 7.8054 109.7194 58.6670 65.1886 175.5700 69 A 4.0652 8.3535 119.8291 52.1305 16.2885 178.1067 70 Q 4.0889 7.7400 116.3580 58.2261 29.3736 174.6631 71 P 4.5044 0.0000 0.0000 61.8861 30.8904 175.2822 72 W 4.7296 8.4745 133.1975 55.4714 32.9420 176.1675 73 K 4.3926 7.0838 124.7301 54.6243 32.6486 173.9687 74 G 3.5862 6.9956 111.0076 44.6096 0.0000 169.6009 75 D 4.7695 8.3734 119.2562 53.0838 40.4599 175.3661 76 P 3.9536 0.0000 0.0000 66.6621 32.3997 178.2032 77 V 3.8509 7.8593 120.0510 65.0405 32.1123 178.4697 78 E 4.0928 8.2659 118.7515 58.7437 29.1825 178.1645 79 Q 4.2354 8.3638 118.3962 57.6201 29.6238 176.9119 80 L 4.4527 7.8832 118.7803 55.1206 41.6574 175.8736 81 V 4.6323 6.8269 119.2496 61.6692 32.4473 175.2545 82 R 4.5298 9.0857 127.6533 54.8178 32.6273 175.0393 83 H 5.2532 8.1782 119.0544 54.1131 31.5874 172.8844 84 F 5.2985 9.5229 121.5665 55.4321 43.8340 173.7741 85 L 5.3720 8.4680 118.6389 54.3886 43.9660 175.5333 86 I 4.9106 9.4883 124.4703 60.4938 38.1596 174.4163 87 E 4.9668 8.9718 128.0902 54.8792 31.5335 175.1763 88 T 5.2783 8.2111 120.6366 60.4598 68.2365 174.0950 89 G 4.3116 8.1694 120.6915 43.8989 0.0000 171.6395 90 P 4.1709 0.0000 0.0000 65.2530 30.9929 177.2778 91 K 4.0228 6.6702 115.7645 55.9380 33.1913 180.3636 92 G 4.0922 6.7244 108.3699 46.4799 0.0000 171.5162 93 V 5.1314 8.2103 114.1551 59.3220 34.4893 175.3160 94 K 5.0126 8.4817 120.8621 56.1367 36.0860 174.4737 95 I 4.6312 8.8384 123.2342 59.7328 38.4221 175.2795 96 K 3.9416 9.2292 130.6696 56.4930 31.7719 175.4637 97 G 3.6429 8.3826 122.2417 45.1559 0.0000 172.5431 98 C 4.6902 7.3910 121.5517 56.9817 33.2435 171.3949 99 P 4.7444 0.0000 0.0000 62.7740 31.2263 175.6245 100 S 4.6187 7.8609 112.5351 58.2150 63.8140 172.8068 101 E 4.4812 7.8321 120.9525 53.5222 31.3329 174.0940 102 P 3.8747 0.0000 0.0000 61.8738 32.9485 174.6294 103 Y 4.7172 7.3657 116.0325 56.7324 37.7330 176.1577 104 F 4.1787 8.6846 124.8758 60.9824 39.0607 175.8307 105 G 4.0286 7.9734 110.5679 45.5171 0.0000 173.7866 106 S 4.7377 7.8452 116.6852 56.3430 64.9012 175.6948 107 L 3.9117 8.4341 123.3157 58.0510 41.3780 179.6826 108 S 4.2126 8.3373 112.3706 61.2855 61.9245 176.0792 109 A 3.9506 7.3613 122.7355 55.0836 18.3816 179.3175 110 L 2.9979 7.3504 117.7689 58.2256 40.4516 179.3755 111 V 3.1002 7.7031 119.5929 65.7934 31.2318 177.9656 112 S 4.1550 8.1065 111.6060 60.5727 62.5720 174.8848 113 Q 4.1663 7.5495 121.2015 56.5683 28.6498 176.6136 114 H 3.8557 7.3195 116.1102 59.4653 28.3549 176.2771 115 S 4.4446 7.1662 111.3919 57.5337 62.5758 174.4140 116 I 4.3582 7.1834 120.6501 62.6327 38.8805 176.4214 117 S 4.4519 8.2480 117.0774 56.2733 63.8414 171.0973 118 P 4.4277 0.0000 0.0000 61.8202 29.8925 176.8834 119 I 3.9821 7.6164 125.7788 64.1831 38.0593 177.7045 120 S 4.0056 8.6779 115.5781 60.5585 62.3304 174.7710 121 L 4.0948 7.4794 121.3396 53.1428 42.0049 176.0239 122 P 4.3482 0.0000 0.0000 64.7155 31.7599 176.1513 123 C 4.7929 7.0309 112.6438 57.3918 30.5332 173.3998 124 C 4.1028 8.5285 120.6984 59.5993 27.6588 173.4923 125 L 4.1905 8.3596 127.5457 55.5643 41.9167 176.3930 126 R 4.8329 9.2283 124.3495 54.4277 34.1655 174.6129 127 I 4.2669 8.1693 124.6166 60.3213 37.9174 175.4200 128 P 4.2441 0.0000 0.0000 65.7913 31.4718 177.8891 129 S 4.1336 7.8608 112.6566 59.9020 63.2892 174.6574 130 K 4.5572 7.7884 119.6127 54.5305 35.0806 175.8672 131 D 4.3218 8.5531 122.1185 54.5332 41.4170 174.5842 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 4.46 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 2 H 8.85 4.14 0.00 3.16 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.70 4.99 0.00 3.17 3.17 0.00 5.69 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 4 H 8.67 4.70 0.00 3.08 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.44 4.77 0.00 3.27 3.31 0.00 5.53 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.63 4.41 0.00 3.31 3.34 0.00 5.54 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.58 4.43 0.00 3.10 3.30 0.00 5.87 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.98 4.55 0.00 3.64 3.56 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 9 S 8.05 4.58 0.00 3.77 3.76 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 10 G 7.48 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 11 L 8.23 4.59 0.00 1.63 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.09 4.14 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 0.94 0.00 0.00 0.95 0.00 0.00 13 P 0.00 4.86 0.00 2.23 2.03 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 14 R 8.45 4.25 0.00 1.78 1.96 0.00 3.32 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 15 G 7.99 3.68 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 0.00 0.00 0.00 16 S 7.70 4.38 0.00 3.84 3.88 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 17 D 7.91 4.60 0.00 2.69 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 18 T 8.22 4.67 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 1.13 0.00 0.00 19 S 7.99 2.79 0.00 3.46 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 20 K 7.66 4.08 0.00 1.77 1.84 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.99 1.25 7.81 21 F 7.98 4.15 0.00 3.13 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 22 W 7.49 4.59 0.00 2.90 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 23 Y 7.99 5.08 0.00 2.25 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 24 K 8.81 4.41 0.00 1.82 1.86 0.00 1.35 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.51 7.81 25 P 0.00 4.42 0.00 2.20 2.04 0.00 3.61 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 26 H 8.02 4.67 0.00 3.26 3.40 0.00 5.53 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.44 4.35 0.00 1.60 1.58 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.05 4.62 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.27 3.87 0.00 1.80 1.84 0.00 3.06 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.32 0.00 30 D 8.01 4.39 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.04 4.02 0.00 2.28 2.11 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 2.43 2.34 0.00 32 A 8.19 4.01 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 33 I 8.04 3.70 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 1.55 1.00 0.95 0.00 0.00 34 A 7.85 3.99 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 35 L 7.76 4.11 0.00 1.81 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.12 4.17 0.00 1.72 1.75 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.22 4.31 0.00 1.91 1.95 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.49 7.81 38 D 7.97 4.88 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 39 K 7.75 4.65 0.00 1.84 1.73 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.50 7.81 40 D 8.41 4.49 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.24 2.26 0.00 3.82 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 2.01 2.01 0.00 42 G 8.94 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 43 A 8.34 4.96 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 44 F 8.34 5.42 0.00 3.16 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 45 L 8.99 4.80 0.00 1.94 1.76 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.22 5.26 2.63 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 1.27 0.00 0.00 47 R 9.02 4.94 0.00 1.86 2.13 0.00 3.30 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.48 0.00 48 D 8.64 5.19 0.00 2.78 2.60 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 49 S 8.72 4.84 0.00 4.07 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 50 H 9.09 4.51 0.00 3.12 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.89 4.10 0.00 3.90 3.68 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 52 F 7.75 4.90 0.00 2.98 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 Q 8.70 4.07 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 54 G 9.14 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.59 5.17 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 56 Y 9.35 5.08 0.00 3.03 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 57 G 8.99 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 0.00 0.00 0.00 0.00 58 L 9.43 5.20 0.00 1.83 1.91 1.12 0.99 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 59 A 8.98 5.13 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 60 L 9.10 5.15 0.00 1.84 1.66 1.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.91 4.66 0.00 1.92 1.73 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.89 7.81 62 V 8.67 4.57 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 0.90 0.00 0.00 1.09 0.00 0.00 63 A 8.75 4.09 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 64 T 7.60 4.50 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 65 P 0.00 4.77 0.00 2.25 2.25 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 66 P 0.00 4.80 0.00 2.41 2.19 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 67 P 0.00 4.50 0.00 2.08 2.17 0.00 3.65 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 2.03 2.08 0.00 68 S 7.81 4.30 0.00 3.97 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 69 A 8.35 4.07 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 70 Q 7.74 4.09 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 71 P 0.00 4.50 0.00 2.11 2.04 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 72 W 8.47 4.73 0.00 3.35 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 73 K 7.08 4.39 0.00 1.64 1.49 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.38 7.81 74 G 7.00 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 75 D 8.37 4.77 0.00 2.78 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 76 P 0.00 3.95 0.00 2.07 1.87 0.00 3.81 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 77 V 7.86 3.85 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 0.84 0.00 0.00 0.96 0.00 0.00 78 E 8.27 4.09 0.00 2.13 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 2.43 2.46 0.00 79 Q 8.36 4.24 0.00 2.08 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.86 0.00 0.00 0.00 0.00 0.00 1.91 2.41 0.00 80 L 7.88 4.45 0.00 1.93 1.91 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 81 V 6.83 4.63 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 0.66 0.00 0.00 1.05 0.00 0.00 82 R 9.09 4.53 0.00 1.69 1.22 0.00 3.31 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 83 H 8.18 5.25 0.00 2.84 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.52 5.30 0.00 2.93 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 85 L 8.47 5.37 0.00 1.93 1.87 1.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 I 9.49 4.91 2.23 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 1.32 0.97 1.13 0.00 0.00 87 E 8.97 4.97 0.00 1.94 1.83 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 2.23 2.24 0.00 88 T 8.21 5.28 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 89 G 8.17 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 0.00 0.00 0.00 0.00 90 P 0.00 4.17 0.00 1.98 2.08 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 91 K 6.67 4.02 0.00 0.99 1.20 0.00 1.43 0.00 0.00 1.31 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.92 1.21 7.81 92 G 6.72 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 93 V 8.21 5.13 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 1.27 0.00 0.00 1.14 0.00 0.00 94 K 8.48 5.01 0.00 1.78 2.10 0.00 1.88 0.00 0.00 2.14 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.56 7.81 95 I 8.84 4.63 1.89 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 1.13 0.96 0.85 0.00 0.00 96 K 9.23 3.94 0.00 1.73 1.96 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.43 7.81 97 G 8.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.39 4.69 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 99 P 0.00 4.74 0.00 2.18 2.10 0.00 3.72 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 1.89 1.95 0.00 100 S 7.86 4.62 0.00 3.77 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 0.00 101 E 7.83 4.48 0.00 1.83 1.72 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 2.25 2.33 0.00 102 P 0.00 3.87 0.00 1.70 1.71 0.00 3.50 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.57 0.00 103 Y 7.37 4.72 0.00 2.96 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 0.00 104 F 8.68 4.18 0.00 3.08 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 0.00 105 G 7.97 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 0.00 106 S 7.85 4.74 0.00 3.94 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 0.00 107 L 8.43 3.91 0.00 1.81 1.72 0.81 0.27 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 0.00 108 S 8.34 4.21 0.00 4.04 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 0.00 109 A 7.36 3.95 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 0.00 110 L 7.35 3.00 0.00 1.12 0.42 0.55 0.46 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 0.00 111 V 7.70 3.10 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 0.72 0.00 0.00 -0.07 0.00 0.00 112 S 8.11 4.16 0.00 3.91 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 0.00 113 Q 7.55 4.17 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 114 H 7.32 3.86 0.00 3.16 3.36 0.00 5.78 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.17 4.44 0.00 3.45 3.56 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 0.00 116 I 7.18 4.36 2.08 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 1.59 0.63 0.90 0.00 0.00 117 S 8.25 4.45 0.00 3.81 3.75 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 0.00 118 P 0.00 4.43 0.00 2.09 2.01 0.00 3.45 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.18 0.00 119 I 7.62 3.98 2.09 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 1.28 0.79 0.89 0.00 0.00 120 S 8.68 4.01 0.00 3.92 3.62 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 0.00 121 L 7.48 4.09 0.00 1.66 1.59 0.73 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.35 0.00 2.22 2.23 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 123 C 7.03 4.79 0.00 3.04 2.87 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 0.00 124 C 8.53 4.10 0.00 2.94 2.87 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 0.00 125 L 8.36 4.19 0.00 1.42 1.39 0.29 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 126 R 9.23 4.83 0.00 1.86 1.81 0.00 3.64 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 127 I 8.17 4.27 2.09 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 1.07 0.00 0.00 128 P 0.00 4.24 0.00 2.11 2.18 0.00 3.68 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 2.04 2.06 0.00 129 S 7.86 4.13 0.00 3.56 3.32 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 0.00 130 K 7.79 4.56 0.00 1.66 1.64 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.45 7.81 131 D 8.55 4.32 0.00 2.57 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