NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4207 8.3044 120.3508 55.4034 33.3909 174.6342 2 E 4.3844 8.5268 125.8088 54.3980 32.4431 172.4502 3 L 4.6133 9.3335 127.6702 53.2503 44.2056 175.3251 4 I 4.4348 8.3436 123.8294 59.4751 38.9658 174.7843 5 R 4.6078 8.5968 125.9856 54.5136 31.3940 175.0001 6 F 5.0135 7.9504 118.4404 55.6033 41.0400 173.5598 7 S 4.7494 8.5288 117.2521 56.9810 64.9200 173.7085 8 I 4.7350 7.7893 114.3687 59.4327 40.4171 174.5215 9 S 4.6820 8.5750 117.1506 56.8350 64.9350 173.7631 10 I 4.5004 8.0526 125.6192 58.1291 39.9335 174.3025 11 P 4.2156 0.0000 0.0000 63.0191 32.3532 177.2340 12 S 4.1179 8.8770 118.2439 62.0433 62.6831 177.1575 13 K 4.0517 7.9970 121.5325 58.4579 31.7595 179.0993 14 L 3.9283 7.8015 120.4515 58.0792 42.0955 178.5405 15 L 4.0012 8.1694 120.5911 58.1503 42.0415 178.5042 16 E 3.9453 8.3428 119.2853 59.1698 29.5936 178.7620 17 K 3.9748 8.1887 119.7430 59.2606 32.1752 178.5132 18 F 4.2803 8.5085 121.1131 61.6461 39.2432 176.7727 19 D 4.1339 8.5184 118.8129 57.2479 40.6661 178.6908 20 Q 3.9067 7.9868 119.8223 59.2198 29.0279 178.4326 21 I 3.6790 7.7545 120.8799 64.4508 37.2421 178.5554 22 I 3.6850 7.6313 113.9923 63.8090 36.5429 177.9172 23 E 3.8769 7.8815 121.1897 59.1801 29.3071 178.2816 24 E 3.9604 7.7707 117.6077 59.3878 29.7122 178.5589 25 I 3.9086 7.8358 119.4893 64.6045 37.3058 175.9039 26 G 3.4227 7.2643 105.4475 45.0017 0.0000 173.6477 27 Y 4.1307 7.6692 119.3944 57.8962 38.3970 176.3978 28 E 4.1731 8.9160 123.5666 59.2220 30.0782 177.0835 29 N 4.8076 7.7025 114.0355 50.6382 41.1573 175.1405 30 R 3.8115 8.4730 120.8715 59.8284 30.0927 178.8338 31 S 4.1512 8.0483 114.5387 61.2940 62.8864 176.0785 32 E 3.9566 8.8592 122.2623 59.2250 29.4157 178.7440 33 A 3.1890 7.5056 120.6433 54.9692 18.2792 179.7344 34 I 3.7128 7.8878 118.3519 64.5592 37.1206 178.9172 35 R 4.0013 8.2041 119.0012 59.2756 29.7516 178.8709 36 D 4.4420 8.1811 118.8634 57.3104 40.7802 178.6917 37 L 4.0486 8.0906 119.6076 57.9799 41.6099 179.7280 38 I 3.8212 8.0344 119.7728 64.3605 36.9940 178.7375 39 R 4.0085 8.3178 119.1291 59.2697 29.9327 178.5652 40 D 4.3758 8.5306 118.1790 57.3364 41.3675 178.0682 41 F 4.2218 8.5705 121.2744 61.4937 39.4392 177.2341 42 I 3.7671 8.2049 119.5077 64.2660 36.9735 178.5623 43 I 3.8406 8.0806 120.9051 64.4281 36.4426 178.5537 44 R 3.9675 8.0968 118.9520 59.6781 29.8329 178.6256 45 H 4.2500 7.9841 117.4709 59.1259 29.5469 176.9465 46 E 4.0481 7.8426 121.8342 58.2131 29.5583 178.1773 47 W 4.1986 8.0153 116.5866 57.9060 29.3813 177.4318 48 E 4.3991 7.5386 116.9966 56.3512 30.2603 176.4499 49 V 4.1909 7.5555 117.0034 61.9362 34.1155 174.5862 50 G 4.3097 8.9075 110.8656 45.9921 0.0000 172.7644 51 N 4.9240 8.1843 112.9638 52.3138 40.0047 174.8902 52 E 4.0106 7.8122 117.2853 55.9687 30.2134 175.7068 53 E 4.1938 8.4841 122.3750 56.6845 30.5931 175.9057 54 V 4.5885 8.6515 118.7501 59.4741 36.4657 173.9102 55 A 5.2178 8.4907 120.7176 51.0576 23.0272 175.3390 56 G 4.7186 9.0179 106.0627 46.0680 0.0000 172.0666 57 T 5.3514 8.6389 108.7705 59.9112 72.7886 173.2992 58 I 4.8360 8.7846 124.0739 60.1320 40.3656 174.3890 59 T 5.1457 8.9045 125.3009 61.9276 70.4069 174.2246 60 I 5.2643 9.1215 119.2763 59.2465 41.9914 174.2680 61 V 4.9420 8.6141 122.4509 61.5326 34.9832 173.8199 62 Y 5.0396 8.1924 124.0593 56.2115 42.3843 172.9222 63 N 5.7688 9.0533 118.7657 51.4818 39.6561 175.1886 64 H 4.6186 9.2150 122.9167 58.0552 28.9047 176.0923 65 D 4.5621 8.1626 119.2741 55.4968 41.4925 176.4780 66 E 4.1919 8.3887 120.4856 56.9104 30.9121 176.8783 67 G 3.8476 8.4065 112.9385 47.2521 0.0000 173.4955 68 D 4.9903 8.2796 119.4776 52.7245 40.2168 179.0555 69 V 3.4896 7.4570 121.8223 65.8710 31.1000 177.5865 70 V 3.3874 7.6351 118.2599 65.6770 31.5931 177.8477 71 K 3.9699 7.9815 118.6144 59.2225 32.1004 178.5469 72 A 3.9799 8.2448 121.4853 54.9393 18.2167 179.5218 73 L 3.8761 8.1168 117.8647 58.0057 41.6584 179.7335 74 L 4.0406 7.6743 118.3070 58.0151 41.3396 179.4204 75 D 4.3682 7.7896 117.2984 57.2167 41.0582 178.6092 76 L 4.2293 7.9931 119.4043 58.0434 41.7389 179.5158 77 Q 4.1585 8.4094 118.1759 59.4802 28.5273 178.5826 78 H 4.2993 8.5137 115.3550 57.7146 28.7936 176.7537 79 E 4.0402 8.0825 120.6424 57.4270 30.7031 175.8080 80 Y 4.8233 7.8218 116.4803 56.8456 38.3763 177.0059 81 L 4.0600 7.9482 120.5692 58.0503 42.4569 179.3632 82 D 4.5229 8.1102 117.3404 56.8101 41.2859 177.1348 83 E 4.6912 8.1464 117.3151 57.3739 30.3141 176.2391 84 I 4.5023 7.6897 120.1425 60.9326 37.7769 175.6568 85 I 4.1430 8.7146 127.7988 63.1793 37.6103 176.0886 86 S 4.7547 7.4504 113.8958 58.0047 65.5967 174.5667 87 S 5.1186 8.6554 113.7403 56.5639 66.1097 172.8517 88 L 4.7524 8.8450 124.0939 53.6223 44.1975 174.3600 89 H 5.3298 8.8685 125.3981 54.3032 32.6848 172.6136 90 V 4.3300 8.7017 125.1741 61.3148 34.5078 174.2747 91 H 4.8973 8.7509 125.4186 55.2702 28.4052 175.2607 92 M 4.1870 8.7473 125.5517 57.8184 32.0021 176.2939 93 D 4.6081 7.5109 113.6966 52.1436 42.0234 173.5293 94 E 3.9892 8.9019 118.7674 59.4508 29.7194 177.7725 95 H 4.7986 8.4210 113.6108 55.8079 31.3504 173.2188 96 N 5.3508 9.3135 117.9716 52.0229 40.4701 174.1851 97 C 5.1345 8.8493 120.7398 57.6726 31.9449 172.5049 98 L 4.9888 8.5641 124.6860 53.2111 44.3921 174.7081 99 E 5.2584 9.3636 126.8162 54.3304 33.5851 174.2820 100 V 4.9348 8.9407 125.8147 60.0754 34.4075 174.2162 101 I 4.7298 8.9768 127.0587 59.5946 39.2707 174.7666 102 V 4.5816 8.6828 127.7135 61.8339 33.0127 175.0989 103 V 5.0682 8.9634 120.7416 59.6563 35.8901 174.6221 104 K 4.8033 9.3611 124.4360 53.8440 35.6692 175.9398 105 G 3.9939 7.8664 114.1914 45.6484 0.0000 170.9726 106 E 4.2333 8.0468 121.3202 55.4231 31.4795 176.8397 107 A 3.2785 8.2242 125.9223 55.1657 18.3737 180.2115 108 K 3.9029 7.8992 116.5118 59.9462 32.6238 178.9130 109 K 3.8621 7.9338 120.3164 59.4424 32.2423 178.6856 110 I 3.7155 7.8962 120.0852 64.3291 36.9996 178.6705 111 K 4.1145 8.5455 119.6974 59.5187 31.8157 179.1337 112 M 4.0637 8.0973 118.7553 58.4970 32.1637 178.3071 113 I 3.2869 7.5907 119.8307 64.2065 37.1234 178.2933 114 A 3.9972 8.0934 121.5740 55.0343 18.1597 179.3715 115 D 4.2957 8.1083 117.4429 57.5062 40.7156 179.2249 116 K 3.9700 7.9021 117.4738 59.4015 32.2400 179.1989 117 L 4.1322 7.9450 119.0845 57.9921 41.4172 179.7425 118 L 4.1136 8.0685 117.8283 57.2106 41.6187 178.7848 119 S 4.4189 7.7743 111.9147 57.9471 64.0351 174.4492 120 L 4.1116 7.3079 124.5663 54.5276 42.1118 177.7840 121 K 3.8742 8.9255 124.8602 59.6035 32.1908 178.3655 122 G 3.6108 7.9515 105.6509 47.7216 0.0000 173.4274 123 V 3.8956 7.3270 119.9980 62.5521 31.4005 175.6706 124 K 4.2148 8.7820 128.2098 59.1431 32.7020 177.4122 125 H 5.0048 7.7813 114.7876 54.2838 33.3827 172.8345 126 G 4.8201 8.4926 105.0404 46.3129 0.0000 172.6596 127 K 4.5849 7.9712 120.3133 55.0856 35.7693 173.6518 128 L 4.8912 8.4892 129.1209 53.6590 43.8080 175.2891 129 V 4.1808 9.0368 126.6828 61.4059 33.7281 174.0746 130 M 3.6846 8.1805 127.9201 54.3092 32.0793 174.7531 131 T 4.7106 8.9824 122.0568 61.0604 71.1234 172.2430 132 S 4.8321 8.7910 113.3174 56.7291 65.7120 174.9377 133 T 4.0978 8.4695 112.5793 62.2053 69.3143 175.9337 134 G 4.0494 9.3089 112.6350 45.5196 0.0000 175.5115 135 K 3.7960 7.5647 120.3387 59.3564 32.0705 177.1017 136 E 4.4618 8.1029 112.8455 55.9641 29.9611 175.3111 137 L 4.9251 7.4923 118.8626 53.5653 44.7541 176.9260 138 V 4.0588 8.0330 112.5616 61.9806 32.6084 175.0163 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 4.42 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 E 8.53 4.38 0.00 2.00 1.77 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 2.21 2.41 0.00 3 L 9.33 4.61 0.00 1.69 1.61 0.94 0.89 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 4 I 8.34 4.43 1.96 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 1.33 0.62 1.00 0.00 0.00 5 R 8.60 4.61 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 6 F 7.95 5.01 0.00 3.16 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 7 S 8.53 4.75 0.00 3.89 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 8 I 7.79 4.74 1.89 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 1.30 0.54 1.10 0.00 0.00 9 S 8.58 4.68 0.00 3.83 3.78 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 10 I 8.05 4.50 1.83 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 1.36 0.78 0.83 0.00 0.00 11 P 0.00 4.22 0.00 2.13 1.99 0.00 3.57 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 2.09 2.14 0.00 12 S 8.88 4.12 0.00 4.04 4.15 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 13 K 8.00 4.05 0.00 1.79 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.44 7.81 14 L 7.80 3.93 0.00 1.73 1.83 0.90 0.47 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 15 L 8.17 4.00 0.00 1.79 1.83 1.01 1.18 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 16 E 8.34 3.95 0.00 2.10 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 2.32 2.33 0.00 17 K 8.19 3.97 0.00 1.96 2.01 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.55 7.81 18 F 8.51 4.28 0.00 3.15 3.24 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 19 D 8.52 4.13 0.00 2.70 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 20 Q 7.99 3.91 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 21 I 7.75 3.68 1.95 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 1.59 0.70 0.92 0.00 0.00 22 I 7.63 3.69 1.61 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 -0.02 0.00 0.00 23 E 7.88 3.88 0.00 1.97 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 2.29 2.30 0.00 24 E 7.77 3.96 0.00 2.00 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 2.32 2.39 0.00 25 I 7.84 3.91 2.12 0.00 0.00 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 1.48 0.85 0.85 0.00 0.00 26 G 7.26 3.42 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 0.00 27 Y 7.67 4.13 0.00 3.09 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 28 E 8.92 4.17 0.00 2.00 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 2.32 2.25 0.00 29 N 7.70 4.81 0.00 2.94 2.87 0.00 0.00 5.90 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 30 R 8.47 3.81 0.00 1.88 1.97 0.00 3.19 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 31 S 8.05 4.15 0.00 4.05 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 32 E 8.86 3.96 0.00 2.30 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 2.46 2.59 0.00 33 A 7.51 3.19 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 34 I 7.89 3.71 1.88 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 1.48 0.96 0.89 0.00 0.00 35 R 8.20 4.00 0.00 2.05 2.03 0.00 3.17 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 36 D 8.18 4.44 0.00 3.08 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 37 L 8.09 4.05 0.00 1.87 1.71 0.78 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.03 3.82 2.08 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 1.50 0.81 0.99 0.00 0.00 39 R 8.32 4.01 0.00 2.09 2.05 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 40 D 8.53 4.38 0.00 2.90 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 41 F 8.57 4.22 0.00 3.16 3.24 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 42 I 8.20 3.77 2.09 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 1.64 1.09 0.96 0.00 0.00 43 I 8.08 3.84 2.10 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 1.62 1.23 1.08 0.00 0.00 44 R 8.10 3.97 0.00 1.93 1.91 0.00 3.12 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 45 H 7.98 4.25 0.00 2.96 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.84 4.05 0.00 2.26 2.20 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 2.20 2.27 0.00 47 W 8.02 4.20 0.00 3.44 3.28 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 48 E 7.54 4.40 0.00 2.00 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 0.00 2.30 2.59 0.00 49 V 7.56 4.19 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 0.75 0.00 0.00 0.85 0.00 0.00 50 G 8.91 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 51 N 8.18 4.92 0.00 2.62 2.73 0.00 0.00 6.84 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 52 E 7.81 4.01 0.00 2.05 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 2.23 2.29 0.00 53 E 8.48 4.19 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 2.22 2.27 0.00 54 V 8.65 4.59 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 -0.34 0.00 0.00 55 A 8.49 5.22 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 56 G 9.02 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 57 T 8.64 5.35 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 1.24 0.00 0.00 58 I 8.78 4.84 1.88 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 1.23 0.65 0.92 0.00 0.00 59 T 8.90 5.15 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 60 I 9.12 5.26 2.02 0.00 0.00 1.00 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 1.55 0.96 0.00 0.00 61 V 8.61 4.94 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 0.98 0.00 0.00 0.92 0.00 0.00 62 Y 8.19 5.04 0.00 3.18 3.03 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 63 N 9.05 5.77 0.00 2.82 2.79 0.00 0.00 7.44 7.89 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 64 H 9.22 4.62 0.00 3.49 3.74 0.00 5.57 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 65 D 8.16 4.56 0.00 2.80 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 66 E 8.39 4.19 0.00 2.18 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 2.55 2.40 0.00 67 G 8.41 3.85 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 0.00 0.00 0.00 68 D 8.28 4.99 0.00 2.82 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 69 V 7.46 3.49 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 0.90 0.00 0.00 0.65 0.00 0.00 70 V 7.64 3.39 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 1.05 0.00 0.00 1.09 0.00 0.00 71 K 7.98 3.97 0.00 1.85 1.89 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.49 7.81 72 A 8.24 3.98 1.34 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 0.00 0.00 73 L 8.12 3.88 0.00 1.70 1.65 0.13 0.41 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 74 L 7.67 4.04 0.00 1.68 1.71 0.93 1.44 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 75 D 7.79 4.37 0.00 2.82 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 76 L 7.99 4.23 0.00 1.93 1.83 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.41 4.16 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 78 H 8.51 4.30 0.00 3.23 3.37 0.00 5.65 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 79 E 8.08 4.04 0.00 2.01 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 0.00 1.50 2.06 0.00 80 Y 7.82 4.82 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.06 0.00 1.63 1.74 0.92 1.07 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 82 D 8.11 4.52 0.00 2.70 2.74 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 0.00 0.00 0.00 0.00 83 E 8.15 4.69 0.00 2.13 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 2.38 2.36 0.00 84 I 7.69 4.50 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.93 0.00 0.00 85 I 8.71 4.14 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 0.50 0.92 0.00 0.00 86 S 7.45 4.75 0.00 3.85 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 87 S 8.66 5.12 0.00 3.88 3.85 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 88 L 8.85 4.75 0.00 1.78 1.55 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.87 5.33 0.00 3.18 3.06 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.70 4.33 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 0.96 0.00 0.00 0.90 0.00 0.00 91 H 8.75 4.90 0.00 3.21 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.75 4.19 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 93 D 7.51 4.61 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 94 E 8.90 3.99 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.25 0.00 95 H 8.42 4.80 0.00 3.20 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.31 5.35 0.00 2.81 2.67 0.00 0.00 6.65 6.70 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 97 C 8.85 5.13 0.00 1.66 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 0.00 0.00 0.00 98 L 8.56 4.99 0.00 1.57 1.39 0.88 0.56 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 99 E 9.36 5.26 0.00 2.05 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 2.26 2.41 0.00 100 V 8.94 4.93 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 0.70 0.00 0.00 0.94 0.00 0.00 101 I 8.98 4.73 1.89 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 1.16 0.71 0.99 0.00 0.00 102 V 8.68 4.58 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 1.07 0.00 0.00 0.95 0.00 0.00 103 V 8.96 5.07 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 1.08 0.00 0.00 104 K 9.36 4.80 0.00 1.77 1.59 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.30 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 105 G 7.87 3.99 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 0.00 0.00 0.00 106 E 8.05 4.23 0.00 1.96 1.77 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 2.45 2.30 0.00 107 A 8.22 3.28 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 0.00 108 K 7.90 3.90 0.00 1.96 2.08 0.00 1.46 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 109 K 7.93 3.86 0.00 1.88 1.98 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.31 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.73 1.64 7.81 110 I 7.90 3.72 2.01 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 1.51 0.76 1.15 0.00 0.00 111 K 8.55 4.11 0.00 1.99 1.92 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 2.07 7.81 112 M 8.10 4.06 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 113 I 7.59 3.29 1.81 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 -0.30 0.16 0.68 0.00 0.00 114 A 8.09 4.00 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 0.00 115 D 8.11 4.30 0.00 2.89 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 0.00 116 K 7.90 3.97 0.00 1.88 1.92 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.70 7.81 117 L 7.95 4.13 0.00 1.69 1.71 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.07 4.11 0.00 1.63 1.73 0.91 0.88 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 0.00 119 S 7.77 4.42 0.00 4.05 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 0.00 120 L 7.31 4.11 0.00 1.94 1.60 0.96 0.69 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 0.00 121 K 8.93 3.87 0.00 1.68 1.84 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.51 7.81 122 G 7.95 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 3.90 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 0.87 0.00 0.00 1.00 0.00 0.00 124 K 8.78 4.21 0.00 1.58 1.58 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.58 7.81 125 H 7.78 5.00 0.00 3.03 3.11 0.00 5.66 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 0.00 126 G 8.49 4.82 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 0.00 0.00 0.00 127 K 7.97 4.58 0.00 1.84 1.58 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.38 1.43 7.81 128 L 8.49 4.89 0.00 1.62 1.45 0.91 0.77 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 0.00 129 V 9.04 4.18 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 0.86 0.00 0.00 0.89 0.00 0.00 130 M 8.18 3.68 0.00 0.51 1.20 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.00 131 T 8.98 4.71 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 1.36 0.00 0.00 132 S 8.79 4.83 0.00 3.91 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 0.00 133 T 8.47 4.10 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 1.25 0.00 0.00 134 G 9.31 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 0.00 135 K 7.56 3.80 0.00 1.73 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.40 7.81 136 E 8.10 4.46 0.00 2.12 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 2.25 2.38 0.00 137 L 7.49 4.93 0.00 1.68 1.63 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.03 4.06 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 0.67 0.00 0.00 0.96 0.00 0.00