NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4299 8.3349 115.4128 57.7932 63.1520 172.3891 2 K 3.9761 8.3283 126.7548 55.8617 32.5152 176.0708 3 T 4.0933 8.5982 118.3146 63.7071 68.8862 174.4196 4 N 4.5012 7.9943 120.6468 52.8634 40.0095 173.6898 5 P 4.2828 0.0000 0.0000 65.4886 31.5297 178.9702 6 R 3.9612 8.2015 117.3212 59.0141 29.9814 178.7461 7 L 3.9763 7.9821 119.7938 58.0670 42.2843 179.0354 8 S 4.1531 7.8429 115.3793 61.5644 62.6739 176.8589 9 S 4.1030 8.0851 117.9180 61.4281 62.5434 176.3347 10 L 3.8877 8.0400 123.1091 58.3858 41.9038 179.1673 11 I 3.6942 7.8736 119.4192 64.2651 36.9980 178.3416 12 A 4.0280 7.9306 121.2955 55.2481 18.0901 179.4675 13 D 4.3155 8.3949 117.6103 57.2595 40.7126 178.9770 14 L 3.9949 8.1757 119.9145 57.3747 41.5680 179.6897 15 K 4.0196 8.0041 118.4363 59.5544 32.1202 179.3043 16 S 4.1036 8.2211 113.1808 61.3865 61.8804 176.0197 17 A 4.1172 7.9623 122.9674 54.6415 17.9636 179.3523 18 A 4.3424 7.6163 120.1790 54.0934 18.5679 179.6198 19 R 4.1942 7.7412 115.8423 59.0215 30.6986 179.0092 20 S 4.2707 7.8967 113.3280 61.7279 63.2826 175.2336 21 S 4.5958 7.5580 115.1817 57.4663 64.3590 174.4382 22 G 3.9494 8.5821 109.1168 45.9156 0.0000 174.0397 23 G 3.6001 8.1192 110.1962 44.8354 0.0000 174.2274 24 A 4.7061 8.4345 125.5622 51.8922 20.1888 177.1258 25 V 4.0019 7.1770 110.7198 63.1626 32.7645 178.1692 26 W 4.7113 7.6909 118.1912 59.4918 28.3920 178.0498 27 G 3.8747 8.1500 104.2060 46.2236 0.0000 174.8592 28 D 4.4819 7.8284 119.7937 56.6048 41.5721 178.0624 29 V 3.8189 8.2622 118.8773 65.3764 31.6282 177.9043 30 A 4.0802 7.9440 120.5900 55.0228 17.9654 179.4536 31 E 3.9814 7.7295 115.5529 59.3397 29.3874 179.0315 32 R 4.1255 7.7245 117.3546 58.8545 29.9571 178.3555 33 L 4.0062 7.7204 118.0769 57.3030 41.7102 178.7054 34 E 4.1862 7.9906 117.4689 57.6509 29.6624 177.5517 35 K 4.2879 6.8340 116.6204 54.8852 33.1003 174.9806 36 P 4.3236 0.0000 0.0000 62.8810 32.1253 177.8425 37 R 3.5738 8.5902 119.8512 59.2875 30.1588 179.4496 38 R 3.9893 7.8380 113.2572 58.7854 29.6353 177.4259 39 T 4.1843 7.6472 107.1338 62.7131 69.3570 174.7834 40 H 4.4781 7.6488 119.3859 55.4575 29.6162 174.5971 41 A 4.2200 8.3182 123.2868 52.1384 19.6274 176.6474 42 E 4.9304 8.6651 121.0497 54.2892 30.5389 173.9682 43 V 4.2666 8.6584 123.1945 61.4288 34.1932 174.9761 44 N 5.3809 8.4004 124.3889 51.3664 41.0381 176.0045 45 L 4.2364 8.5974 119.2245 57.8444 41.3104 179.7890 46 G 3.7502 8.1230 104.6302 46.7525 0.0000 174.8931 47 R 4.2960 7.5813 119.8602 58.5331 30.5876 178.1723 48 I 3.9245 7.6584 119.2197 63.8967 37.0180 177.6017 49 E 4.0178 7.9471 119.3909 58.6330 29.4828 178.3030 50 R 3.8754 7.0963 118.5035 58.2853 30.3096 176.3836 51 Y 4.7225 7.4871 112.6494 57.6329 39.5411 175.6232 52 A 4.6477 7.7157 122.6820 50.8743 20.2639 176.4012 53 Q 4.7177 7.6754 115.4618 53.8014 30.3884 175.5174 54 E 4.0777 8.5170 118.2945 57.6552 30.0662 176.6163 55 D 4.4873 8.7521 118.4704 55.0081 38.4333 173.6118 56 E 4.6919 7.6378 118.1219 54.9152 32.3861 174.9309 57 T 4.2552 8.6914 124.6683 63.7727 70.0384 173.7765 58 V 4.5973 8.9900 126.8013 61.6783 33.2636 174.5307 59 V 4.8006 8.9503 129.5235 61.3768 33.3177 174.4182 60 V 4.8978 9.2107 128.9540 59.1301 33.3211 174.2135 61 P 4.6377 0.0000 0.0000 62.7483 32.9456 176.1622 62 G 3.9978 6.8138 117.2234 47.4361 0.0000 176.4833 63 K 4.9652 9.3827 127.4552 54.0971 35.6984 173.3412 64 V 4.7513 8.0921 126.5467 61.6017 33.1358 174.8513 65 L 4.9496 9.4500 128.5373 52.5921 45.0645 176.1226 66 G 4.1864 8.4337 105.4930 46.9641 0.0000 173.7342 67 S 4.5890 8.4440 116.6662 58.3819 64.7154 175.3947 68 G 4.2287 9.0415 109.9375 45.1595 0.0000 172.1096 69 V 4.3274 7.8365 117.3849 60.6403 33.3199 174.3474 70 L 4.8412 8.3987 127.4111 53.4879 44.0725 175.5571 71 Q 4.4962 9.6097 125.0600 56.7895 30.7469 176.9050 72 K 4.0333 8.1428 116.2173 56.6639 33.0483 177.1413 73 D 5.4329 8.4769 123.1069 52.7099 40.0158 175.6046 74 V 4.4082 7.2541 115.2965 60.1991 35.3267 176.6466 75 T 4.6279 8.3732 119.7484 62.2935 70.3117 173.5392 76 V 4.8105 8.7981 127.8125 61.3337 33.6805 174.2936 77 A 5.9400 10.0080 130.2492 49.5891 21.7871 175.0409 78 A 4.9388 8.3027 122.3999 50.5145 22.7455 177.0357 79 V 3.6167 8.1344 119.1973 66.0966 32.1356 175.7489 80 D 4.7549 7.3987 117.1299 53.1561 44.5719 174.0384 81 F 5.4357 8.6567 121.0996 55.4547 42.7173 175.1695 82 S 4.3561 9.0105 117.1547 57.9171 63.8772 175.2883 83 G 3.8349 9.0331 108.1974 48.8483 0.0000 176.0444 84 T 4.0842 7.9234 116.9751 65.8807 68.5077 176.8054 85 A 4.0024 7.8527 122.4138 55.3188 18.5514 179.1543 86 E 3.6175 8.1895 117.6332 59.7024 29.7163 179.3922 87 T 3.8444 7.5647 114.2927 66.6719 68.4080 177.1230 88 K 4.1431 8.0094 118.8627 59.0326 32.3466 179.3947 89 I 3.9428 7.9582 120.5918 64.3817 37.0536 177.9965 90 D 4.7022 7.7082 119.0819 56.2166 40.5677 178.6648 91 Q 4.2092 7.4946 117.4764 58.1404 29.0364 177.7163 92 V 4.5239 7.8196 111.7740 59.8376 33.0751 175.8945 93 G 4.2024 7.1927 108.6114 46.1411 0.0000 172.5190 94 E 4.9091 8.4115 123.4139 54.5222 33.4177 174.5252 95 A 4.6415 8.8109 129.3456 50.5777 19.9457 176.1791 96 V 4.5219 8.7849 123.0876 61.3987 34.6156 175.6654 97 S 4.8433 8.7415 121.0000 57.8032 63.8383 175.0364 98 L 4.0358 8.3748 123.1381 58.0511 40.1633 179.3375 99 E 3.9753 8.0651 118.4039 59.1191 29.3351 178.9493 100 Q 4.1253 7.8586 117.5648 58.7131 28.9014 178.1624 101 A 3.9912 7.8744 121.6591 55.1837 18.0445 179.8554 102 I 2.8402 6.6732 116.4397 64.2023 37.1770 177.8760 103 E 4.0482 7.1988 118.5685 59.0824 29.5215 178.2178 104 N 4.6623 8.2828 116.3735 54.9259 40.3248 175.1671 105 N 5.0999 8.4149 118.7352 51.0800 39.0926 172.5987 106 P 4.5690 0.0000 0.0000 64.8595 31.9569 178.3114 107 E 4.1697 8.5005 117.6868 56.4113 30.1143 176.2817 108 G 3.3606 8.0497 106.8990 46.2430 0.0000 173.8023 109 S 4.4245 8.2140 111.5060 57.7637 65.9263 173.4428 110 H 4.0305 8.3623 116.7914 57.1171 25.9699 174.8815 111 V 4.9221 7.2310 115.8770 59.9102 34.7161 176.3112 112 R 4.4857 9.0211 125.6214 54.5834 32.0663 174.7813 113 V 4.5800 8.3252 126.7019 62.0732 32.4380 174.8380 114 I 4.6990 8.6760 129.1570 59.3243 40.2712 176.2749 115 R 4.1807 8.3931 122.0750 56.3748 29.5305 174.8809 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.33 4.43 0.00 3.99 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 2 K 8.33 3.98 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.60 4.09 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 4 N 7.99 4.50 0.00 2.80 2.69 0.00 0.00 7.25 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.28 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.20 3.96 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 7.98 3.98 0.00 1.76 1.82 0.92 1.02 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 8 S 7.84 4.15 0.00 4.06 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 9 S 8.09 4.10 0.00 4.02 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 10 L 8.04 3.89 0.00 1.79 1.90 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.87 3.69 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 0.92 0.00 0.00 12 A 7.93 4.03 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 13 D 8.39 4.32 0.00 2.77 2.64 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 14 L 8.18 3.99 0.00 1.90 2.00 0.95 0.76 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 15 K 8.00 4.02 0.00 2.04 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 16 S 8.22 4.10 0.00 3.89 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 17 A 7.96 4.12 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 18 A 7.62 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.74 4.19 0.00 1.84 2.00 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 20 S 7.90 4.27 0.00 3.94 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 21 S 7.56 4.60 0.00 4.27 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 22 G 8.58 3.95 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 0.00 0.00 0.00 23 G 8.12 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.43 4.71 1.19 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 25 V 7.18 4.00 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 0.61 0.00 0.00 0.03 0.00 0.00 26 W 7.69 4.71 0.00 3.36 3.16 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 0.00 27 G 8.15 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.83 4.48 0.00 2.94 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 29 V 8.26 3.82 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 1.05 0.00 0.00 1.05 0.00 0.00 30 A 7.94 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.73 3.98 0.00 2.16 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 2.35 2.44 0.00 32 R 7.72 4.13 0.00 1.98 1.90 0.00 3.36 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 33 L 7.72 4.01 0.00 1.82 1.69 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.99 4.19 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 35 K 6.83 4.29 0.00 2.08 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.62 7.81 36 P 0.00 4.32 0.00 2.14 1.96 0.00 3.61 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 2.11 2.12 0.00 37 R 8.59 3.57 0.00 1.80 1.92 0.00 3.11 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 38 R 7.84 3.99 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.65 4.18 4.26 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 1.21 0.00 0.00 40 H 7.65 4.48 0.00 3.32 3.24 0.00 5.67 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 41 A 8.32 4.22 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 42 E 8.67 4.93 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 43 V 8.66 4.27 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 1.00 0.00 0.00 0.98 0.00 0.00 44 N 8.40 5.38 0.00 2.70 2.97 0.00 0.00 7.64 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.60 4.24 0.00 1.92 1.73 0.95 0.94 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 46 G 8.12 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 0.00 0.00 0.00 47 R 7.58 4.30 0.00 2.06 1.99 0.00 3.18 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 48 I 7.66 3.92 2.02 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 1.59 1.02 0.97 0.00 0.00 49 E 7.95 4.02 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 50 R 7.10 3.88 0.00 1.78 1.27 0.00 2.55 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.33 0.00 51 Y 7.49 4.72 0.00 2.97 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 52 A 7.72 4.65 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 53 Q 7.68 4.72 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 54 E 8.52 4.08 0.00 2.06 1.92 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 2.41 2.34 0.00 55 D 8.75 4.49 0.00 2.81 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 56 E 7.64 4.69 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 57 T 8.69 4.26 4.32 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 1.37 0.00 0.00 58 V 8.99 4.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 59 V 8.95 4.80 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 0.99 0.00 0.00 1.17 0.00 0.00 60 V 9.21 4.90 2.00 0.00 0.00 0.00 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 0.96 0.00 0.00 61 P 0.00 4.64 0.00 2.19 2.11 0.00 3.97 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 1.96 1.94 0.00 62 G 6.81 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 63 K 9.38 4.97 0.00 1.68 1.56 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.09 4.75 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 1.07 0.00 0.00 0.80 0.00 0.00 65 L 9.45 4.95 0.00 1.82 1.56 0.93 0.75 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 66 G 8.43 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 67 S 8.44 4.59 0.00 3.99 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 68 G 9.04 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 69 V 7.84 4.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.40 4.84 0.00 1.59 1.51 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.61 4.50 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.14 4.03 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.77 7.81 73 D 8.48 5.43 0.00 2.62 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 74 V 7.25 4.41 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 1.01 0.00 0.00 75 T 8.37 4.63 4.29 0.00 0.00 0.00 0.00 0.00 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 76 V 8.80 4.81 2.31 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 1.16 0.00 0.00 1.03 0.00 0.00 77 A 10.01 5.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.30 4.94 0.54 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 0.00 0.00 79 V 8.13 3.62 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.40 4.75 0.00 2.68 2.38 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 81 F 8.66 5.44 0.00 2.91 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 82 S 9.01 4.36 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.03 3.83 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 0.00 0.00 0.00 84 T 7.92 4.08 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 85 A 7.85 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.19 3.62 0.00 2.04 1.93 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 2.14 1.93 0.00 87 T 7.56 3.84 4.38 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 1.20 0.00 0.00 88 K 8.01 4.14 0.00 1.95 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.61 7.81 89 I 7.96 3.94 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.10 0.91 0.00 0.00 90 D 7.71 4.70 0.00 2.68 2.69 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 91 Q 7.49 4.21 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.36 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 92 V 7.82 4.52 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 0.81 0.00 0.00 0.94 0.00 0.00 93 G 7.19 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 0.00 0.00 0.00 0.00 94 E 8.41 4.91 0.00 2.01 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 95 A 8.81 4.64 0.54 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 0.00 0.00 96 V 8.78 4.52 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 1.09 0.00 0.00 0.94 0.00 0.00 97 S 8.74 4.84 0.00 4.12 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.37 4.04 0.00 1.92 1.66 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.07 3.98 0.00 2.06 1.93 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 2.36 2.40 0.00 100 Q 7.86 4.13 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 101 A 7.87 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.67 2.84 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.18 0.62 0.00 0.00 103 E 7.20 4.05 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 104 N 8.28 4.66 0.00 2.75 2.90 0.00 0.00 6.71 8.59 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 0.00 105 N 8.41 5.10 0.00 2.87 3.05 0.00 0.00 6.95 7.96 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 0.00 106 P 0.00 4.57 0.00 2.29 2.28 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 107 E 8.50 4.17 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 108 G 8.05 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.21 4.42 0.00 3.92 3.82 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 0.00 110 H 8.36 4.03 0.00 3.33 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.23 4.92 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 0.42 0.00 0.00 0.88 0.00 0.00 112 R 9.02 4.49 0.00 2.05 1.83 0.00 3.10 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 113 V 8.33 4.58 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 0.87 0.00 0.00 0.85 0.00 0.00 114 I 8.68 4.70 1.91 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 1.32 1.48 0.99 0.00 0.00 115 R 8.39 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00