NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4674 8.3349 116.7945 57.6518 65.0847 173.7718 16 E 4.6114 7.7931 117.3703 53.5586 32.3635 174.1180 17 L 4.3943 9.0404 123.1529 54.3745 43.5791 177.5855 18 L 4.2901 9.5200 123.1160 54.4573 43.5523 178.5090 19 E 3.9346 8.6982 120.4797 59.4902 29.3403 179.3244 20 E 3.9398 8.1626 118.9174 59.4246 29.7663 178.6495 21 Q 3.9954 8.0561 117.3796 58.9552 28.7895 178.3839 22 K 4.0269 8.7873 119.7927 60.0602 32.1094 179.2973 23 Q 4.0798 8.4580 118.0210 59.0013 28.6100 177.8682 24 E 4.2990 8.4602 120.3183 60.3626 29.4800 178.4519 25 I 3.9290 8.1694 118.2863 65.1896 37.2724 177.1551 26 Y 4.2086 8.6730 119.5054 61.3976 38.5963 178.8354 27 E 4.0595 9.2405 118.5910 59.4842 29.9305 179.1511 28 A 4.1597 8.6528 121.0347 55.2942 18.4665 179.5194 29 F 3.6589 8.3908 117.8165 60.8489 39.3374 177.3392 30 S 4.0304 7.7695 114.4127 61.2928 62.8584 175.9696 31 L 3.8197 7.3746 122.7042 58.0201 41.6761 178.3498 32 F 4.5946 7.0079 112.9318 58.0109 39.0486 174.8839 33 D 4.3562 7.2002 120.4711 53.2892 42.1110 176.1956 *35 N 4.6853 8.4059 119.7870 52.2201 38.5604 175.0105 36 N 4.2116 8.5072 113.2554 54.9280 37.5452 174.9827 37 D 4.4579 8.0841 116.7750 54.5056 39.1141 177.3671 38 G 4.0296 8.7273 108.6711 45.0146 0.0000 173.1650 39 F 5.2140 7.6279 116.8130 55.5494 41.7740 174.5387 40 L 4.7616 8.5268 122.9807 53.0011 43.4896 177.2359 41 D 4.8004 9.4512 124.4668 52.3013 42.1353 176.6342 42 Y 4.1500 8.6634 119.2083 61.3553 38.5610 177.3866 43 H 3.9065 8.5057 118.1828 59.4016 29.9934 176.7823 44 E 3.7514 9.2051 120.7353 59.2566 29.0815 178.9376 45 L 3.9459 7.7911 119.3039 58.0748 42.1288 178.5606 46 K 3.8645 7.4251 118.2605 59.6485 32.3320 178.9005 47 V 3.4752 7.0332 111.5314 63.9299 31.4790 178.2778 48 A 3.6858 7.2075 119.1772 53.3172 18.5177 178.7630 *50 K 4.5978 8.2327 119.2887 57.5127 34.0511 177.2640 51 A 4.1029 8.0289 121.9679 55.3397 18.3422 179.3116 52 L 4.0383 7.5719 112.1899 55.9710 41.5455 178.1888 53 G 3.7955 7.5286 107.8512 45.1583 0.0000 174.2412 54 F 4.6124 7.4368 119.2116 57.1763 39.4418 174.3362 55 E 4.6516 8.7117 125.7585 54.5427 29.4163 175.1217 56 L 4.4848 8.0222 122.6691 52.3822 43.4510 175.2524 57 P 4.2363 0.0000 0.0000 63.0942 32.1505 177.0764 58 K 4.0350 9.1843 123.0771 60.6336 32.0814 179.4427 59 R 3.9914 8.0351 116.7753 58.8339 29.3892 178.4349 60 E 4.1877 8.2780 119.2346 59.0136 29.4051 179.2385 61 I 3.8376 7.8075 119.8158 64.3692 37.2680 178.2300 62 L 4.1576 7.9538 119.4863 57.6195 41.3182 178.9738 63 D 4.4505 8.3753 119.3790 57.7076 40.8100 178.8975 64 L 4.1333 7.7992 118.5698 57.7675 41.4662 179.2065 65 I 3.8656 7.6914 119.0281 65.0092 37.3157 177.8428 66 D 4.5696 8.0139 117.6957 57.3971 40.7419 177.9745 67 E 4.0749 8.2087 118.6463 59.0706 30.9107 178.3962 68 Y 4.6067 7.9445 118.8904 54.0844 35.7958 173.2558 69 D 4.4616 7.4541 112.8326 54.0923 43.1349 175.6183 70 S 4.5447 8.8475 122.0439 58.6424 63.2694 173.5352 71 E 4.7935 7.8117 119.0557 54.1926 33.1508 175.7734 72 G 3.8488 8.4042 105.4052 46.2845 0.0000 175.5508 73 R 3.8838 7.9248 121.3731 57.5830 30.4412 176.9444 74 H 4.2629 8.2953 112.4434 57.2759 26.7638 174.1702 75 L 4.8731 7.5184 120.8863 53.0961 44.2554 176.5955 *77 K 3.9675 8.3304 120.6205 57.0675 34.3790 176.5703 78 Y 3.1719 7.4696 122.1663 60.8301 38.2893 178.2846 79 D 4.1355 8.0947 119.0820 57.6556 40.7903 178.6421 80 D 4.2748 7.7850 118.2640 56.5709 40.9960 178.0751 81 F 3.9706 8.0334 120.3854 61.6271 39.1404 175.9054 82 Y 4.1267 7.9465 119.1402 61.0212 38.3547 178.7102 83 I 3.6658 7.1500 119.9664 64.2059 37.3581 178.5833 84 V 3.6647 7.2972 114.9505 64.1500 30.9630 177.4271 *86 G 3.6391 8.1672 106.2212 45.5705 0.0000 175.3721 87 E 4.0447 8.0122 119.1595 57.8821 29.4605 178.7751 88 K 3.9710 7.4892 118.3847 58.6169 32.2774 178.8350 89 I 4.1550 7.4877 120.4531 64.1054 36.9674 178.2707 90 L 4.0072 7.7212 118.2495 57.7712 41.6160 178.3749 91 K 4.1243 7.5179 114.0898 57.1565 32.0450 177.2637 92 R 3.8458 7.4054 120.1336 56.5822 30.0071 175.2881 93 D 4.4995 8.7369 125.0271 53.3448 41.5176 174.4558 94 P 4.3138 0.0000 0.0000 66.0692 31.2692 178.2713 95 L 4.0326 8.1236 118.2616 58.0981 41.9789 178.4350 96 D 4.3525 8.2316 119.1241 57.2447 40.4944 178.4087 97 E 3.9513 7.6679 117.6351 59.4340 29.9895 178.6426 98 I 4.0113 7.5042 119.2280 64.3259 36.8442 178.4328 99 K 3.9524 8.8289 120.9377 59.3580 31.9060 178.4880 100 R 3.9313 8.2843 116.8760 57.8590 30.3916 177.6864 101 A 4.3119 7.9409 120.7971 55.4363 18.7571 178.8935 102 F 2.9548 8.0249 118.6932 61.6277 38.9863 177.3888 103 Q 4.1718 7.5890 115.7110 58.7008 28.5371 178.3066 104 L 4.1552 7.7889 118.6304 56.8433 41.7159 178.5089 105 F 4.2722 7.9923 116.4913 58.5350 41.1662 176.6289 106 D 4.6087 7.8044 119.9482 52.9610 37.5732 176.3262 107 D 4.2132 7.7107 122.6873 56.9243 41.6718 178.1592 108 D 4.3171 7.8935 117.2160 54.6461 39.5955 175.5759 109 H 4.3437 7.6006 115.8219 57.2545 26.1136 175.5607 110 T 4.1327 8.4231 108.4429 62.0174 69.1319 175.6405 111 G 4.1224 10.2050 112.2907 45.4616 0.0000 172.9006 112 K 5.1683 7.9153 117.6268 54.6676 35.9552 175.9352 113 I 4.1706 8.8006 125.9209 60.6307 38.6056 175.5488 114 S 4.7046 8.8975 121.6517 56.7889 65.7247 175.3774 115 I 3.6918 8.5806 121.4350 64.7285 37.0049 178.8620 116 K 4.0397 8.0272 118.4466 59.5013 32.4626 178.7303 117 N 4.2620 8.4229 118.6994 56.4062 38.5657 177.0412 118 L 4.0431 7.9268 121.5320 58.0091 41.7299 178.6212 119 R 3.9416 8.2189 118.9718 59.6436 29.8360 178.4822 120 R 3.8809 7.8112 117.8792 59.1231 30.0588 178.4886 121 V 3.3648 7.6150 117.8307 65.8940 31.5686 177.6042 122 A 3.9834 8.4028 120.6668 55.4387 18.2401 179.7923 123 K 3.9223 7.7059 116.1328 59.4849 31.8866 178.8835 124 E 4.1718 7.8223 117.5565 57.5783 29.5877 177.5080 125 L 4.6587 7.6679 117.9574 53.5688 43.7958 176.6680 126 G 4.0137 7.6804 104.7339 46.8230 0.0000 174.2629 127 E 4.5848 8.4325 115.0546 54.7156 33.4792 176.2800 128 T 4.5009 8.5095 119.9325 61.8570 69.5211 174.0621 129 L 4.7944 8.1210 125.8913 52.0924 45.7522 177.0195 130 T 4.1060 9.5354 118.1677 61.9627 69.3740 174.8455 131 D 4.4948 8.5265 122.7637 56.8558 40.7249 178.8775 132 E 3.9953 8.1094 119.3462 59.2452 29.3687 178.6810 133 E 3.9933 8.1017 117.2543 59.4353 29.6446 179.0285 134 L 4.1735 7.7452 117.9151 57.6947 42.0922 178.9422 135 R 4.0918 8.5724 118.8231 59.2596 29.8101 179.2797 136 A 4.2087 8.2399 119.7674 52.3219 18.5561 179.4814 *138 I 4.0930 7.7255 122.1129 63.0974 39.0951 177.7553 139 E 4.0151 8.5034 119.7400 59.3861 29.5735 178.0028 140 E 3.9511 8.0585 118.7035 58.5918 29.7115 177.3698 141 F 4.3328 7.8920 114.6578 57.9355 39.6060 175.0115 142 D 4.4562 8.8284 120.8807 54.9509 40.2776 175.7956 143 L 4.7267 8.3929 127.9414 54.3616 42.1201 177.5249 144 D 4.6740 8.3156 117.5708 52.0772 40.8324 176.1108 145 G 4.1031 8.6877 106.9637 44.9006 0.0000 174.1316 146 D 4.6092 8.8228 118.5458 53.2177 39.4937 177.1700 147 G 3.9956 8.4216 105.9720 46.2536 0.0000 173.4832 148 E 4.6495 8.6935 117.2306 54.5389 33.6853 175.4666 149 I 4.4975 8.0186 123.1894 60.0405 37.0311 175.9506 150 N 5.5065 8.6071 126.7237 51.5731 39.9909 174.9362 151 E 3.5081 8.4277 119.2710 59.7477 29.7777 178.3387 152 N 4.2488 8.2777 116.0972 56.8171 38.5658 176.9780 153 E 4.0710 8.2375 119.5735 59.3442 29.4341 179.2605 154 F 3.9123 8.1563 120.5237 61.1958 39.5325 176.9965 155 I 3.7668 8.5416 119.6998 64.6143 36.7263 177.8237 156 A 3.9519 8.0613 119.7649 55.7279 18.2972 179.7586 157 I 3.4079 7.4834 117.0565 64.3793 37.1417 177.8588 158 C 4.1340 7.1469 115.7611 62.1439 28.3198 174.6302 159 T 4.1044 7.7127 115.4086 63.7636 68.7917 174.1713 160 D 4.5647 8.3865 121.1870 54.6627 41.3666 176.4607 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 15 S 8.33 4.47 0.00 3.88 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 16 E 7.79 4.61 0.00 2.00 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 2.20 2.35 0.00 17 L 9.04 4.39 0.00 1.66 1.59 0.60 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 L 9.52 4.29 0.00 1.67 1.60 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.70 3.93 0.00 1.99 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 2.42 2.32 0.00 20 E 8.16 3.94 0.00 2.09 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 0.00 2.40 2.49 0.00 21 Q 8.06 4.00 0.00 2.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 22 K 8.79 4.03 0.00 1.92 2.06 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.79 1.63 7.81 23 Q 8.46 4.08 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 24 E 8.46 4.30 0.00 2.31 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 0.00 2.40 2.46 0.00 25 I 8.17 3.93 2.39 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 1.41 0.00 0.00 26 Y 8.67 4.21 0.00 3.20 3.23 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 27 E 9.24 4.06 0.00 2.33 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 2.47 0.00 28 A 8.65 4.16 1.69 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 29 F 8.39 3.66 0.00 2.36 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 30 S 7.77 4.03 0.00 3.93 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 31 L 7.37 3.82 0.00 1.40 0.79 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.01 4.59 0.00 2.93 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 33 D 7.20 4.36 0.00 2.26 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 *35 N 8.41 4.69 0.00 2.95 3.07 0.00 0.00 6.14 6.96 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 36 N 8.51 4.21 0.00 2.83 2.92 0.00 0.00 6.88 8.74 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 37 D 8.08 4.46 0.00 2.93 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 38 G 8.73 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 39 F 7.63 5.21 0.00 3.20 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 40 L 8.53 4.76 0.00 1.65 1.51 0.58 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.45 4.80 0.00 2.99 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 Y 8.66 4.15 0.00 3.14 3.05 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 43 H 8.51 3.91 0.00 3.34 3.54 0.00 5.75 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 44 E 9.21 3.75 0.00 2.06 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 2.39 0.00 45 L 7.79 3.95 0.00 1.75 1.83 1.23 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.43 3.86 0.00 1.39 1.56 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.11 7.81 47 V 7.03 3.48 1.43 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 0.51 0.00 0.00 0.55 0.00 0.00 48 A 7.21 3.69 1.47 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 *50 K 8.23 4.60 0.00 1.77 1.87 0.00 1.57 0.00 0.00 2.61 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.56 7.81 51 A 8.03 4.10 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 52 L 7.57 4.04 0.00 1.57 1.46 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.53 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 0.00 0.00 0.00 54 F 7.44 4.61 0.00 3.11 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 55 E 8.71 4.65 0.00 1.93 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 2.21 2.35 0.00 56 L 8.02 4.48 0.00 1.65 1.61 0.95 1.08 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 57 P 0.00 4.24 0.00 2.19 2.03 0.00 3.78 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 2.41 2.13 0.00 58 K 9.18 4.03 0.00 2.09 2.27 0.00 1.54 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.57 7.81 59 R 8.04 3.99 0.00 2.07 2.24 0.00 2.97 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 60 E 8.28 4.19 0.00 2.24 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 2.34 2.36 0.00 61 I 7.81 3.84 2.28 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 1.67 0.84 0.99 0.00 0.00 62 L 7.95 4.16 0.00 1.94 1.73 0.76 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.38 4.45 0.00 2.97 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 64 L 7.80 4.13 0.00 2.02 1.81 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.69 3.87 2.01 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 1.68 0.62 1.06 0.00 0.00 66 D 8.01 4.57 0.00 2.85 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 67 E 8.21 4.07 0.00 2.17 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 2.05 2.28 0.00 68 Y 7.94 4.61 0.00 3.05 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 69 D 7.45 4.46 0.00 2.86 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 70 S 8.85 4.54 0.00 3.93 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 71 E 7.81 4.79 0.00 1.90 1.79 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 2.19 2.33 0.00 72 G 8.40 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 73 R 7.92 3.88 0.00 1.99 1.87 0.00 3.20 0.00 0.00 2.91 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 74 H 8.30 4.26 0.00 3.36 3.44 0.00 5.61 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 75 L 7.52 4.87 0.00 1.31 1.52 0.38 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *77 K 8.33 3.97 0.00 1.99 1.78 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.27 7.81 78 Y 7.47 3.17 0.00 1.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.09 4.14 0.00 2.69 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 80 D 7.78 4.27 0.00 2.87 2.47 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 81 F 8.03 3.97 0.00 3.13 3.12 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 82 Y 7.95 4.13 0.00 2.31 2.58 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 83 I 7.15 3.67 1.77 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 1.47 0.57 0.90 0.00 0.00 84 V 7.30 3.66 1.82 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 0.81 0.00 0.00 0.24 0.00 0.00 *86 G 8.17 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 87 E 8.01 4.04 0.00 2.14 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 0.00 2.50 2.25 0.00 88 K 7.49 3.97 0.00 1.56 1.15 0.00 1.49 0.00 0.00 1.04 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.00 1.20 7.81 89 I 7.49 4.16 2.03 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 1.69 1.58 0.93 0.00 0.00 90 L 7.72 4.01 0.00 1.61 1.71 0.94 0.86 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 91 K 7.52 4.12 0.00 1.91 1.83 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.35 7.81 92 R 7.41 3.85 0.00 1.86 1.96 0.00 3.36 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 93 D 8.74 4.50 0.00 2.81 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 94 P 0.00 4.31 0.00 2.20 2.13 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 95 L 8.12 4.03 0.00 1.77 2.01 0.93 1.27 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 96 D 8.23 4.35 0.00 2.99 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 97 E 7.67 3.95 0.00 2.03 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 0.00 2.37 2.38 0.00 98 I 7.50 4.01 2.06 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 1.68 0.70 1.15 0.00 0.00 99 K 8.83 3.95 0.00 2.02 1.79 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.37 7.81 100 R 8.28 3.93 0.00 2.07 1.97 0.00 3.31 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 101 A 7.94 4.31 1.63 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 0.00 0.00 102 F 8.02 2.95 0.00 2.44 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 0.00 103 Q 7.59 4.17 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 104 L 7.79 4.16 0.00 1.81 1.65 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.99 4.27 0.00 2.75 2.92 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 0.00 106 D 7.80 4.61 0.00 2.33 2.56 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 0.00 107 D 7.71 4.21 0.00 2.62 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 0.00 108 D 7.89 4.32 0.00 2.77 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 0.00 109 H 7.60 4.34 0.00 3.41 3.48 0.00 5.65 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 0.00 110 T 8.42 4.13 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 1.27 0.00 0.00 111 G 10.20 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 0.00 0.00 0.00 112 K 7.92 5.17 0.00 1.70 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 113 I 8.80 4.17 1.79 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.12 0.91 0.00 0.00 114 S 8.90 4.70 0.00 3.91 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 0.00 115 I 8.58 3.69 1.88 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 1.71 0.56 0.93 0.00 0.00 116 K 8.03 4.04 0.00 1.97 2.07 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 117 N 8.42 4.26 0.00 3.00 2.93 0.00 0.00 6.48 6.41 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 0.00 118 L 7.93 4.04 0.00 1.87 1.85 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.22 3.94 0.00 2.14 2.12 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 120 R 7.81 3.88 0.00 2.03 2.07 0.00 3.43 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 121 V 7.61 3.36 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 0.74 0.00 0.00 0.61 0.00 0.00 122 A 8.40 3.98 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 0.00 123 K 7.71 3.92 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 124 E 7.82 4.17 0.00 2.21 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 2.27 2.30 0.00 125 L 7.67 4.66 0.00 1.62 1.62 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.68 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 0.00 127 E 8.43 4.58 0.00 1.98 1.82 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 2.38 2.39 0.00 128 T 8.51 4.50 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 0.00 129 L 8.12 4.79 0.00 1.58 1.52 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 130 T 9.54 4.11 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 1.33 0.00 0.00 131 D 8.53 4.49 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 0.00 132 E 8.11 4.00 0.00 2.06 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 0.00 2.40 2.46 0.00 133 E 8.10 3.99 0.00 2.18 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 2.33 2.42 0.00 134 L 7.75 4.17 0.00 1.66 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.57 4.09 0.00 1.98 2.14 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 136 A 8.24 4.21 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 *138 I 7.73 4.09 1.92 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 1.35 0.70 1.02 0.00 0.00 139 E 8.50 4.02 0.00 2.04 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 2.34 2.44 0.00 140 E 8.06 3.95 0.00 1.87 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 0.00 1.88 1.47 0.00 141 F 7.89 4.33 0.00 3.07 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 0.00 142 D 8.83 4.46 0.00 2.76 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 0.00 143 L 8.39 4.73 0.00 1.66 1.64 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.32 4.67 0.00 2.71 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 0.00 145 G 8.69 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 0.00 146 D 8.82 4.61 0.00 2.79 2.81 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 0.00 147 G 8.42 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 0.00 148 E 8.69 4.65 0.00 2.05 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 2.27 2.45 0.00 149 I 8.02 4.50 1.96 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 1.43 1.00 1.12 0.00 0.00 150 N 8.61 5.51 0.00 3.06 3.06 0.00 0.00 6.47 6.95 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 0.00 151 E 8.43 3.51 0.00 1.42 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 2.15 1.67 0.00 152 N 8.28 4.25 0.00 3.03 2.91 0.00 0.00 7.04 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 0.00 153 E 8.24 4.07 0.00 2.24 2.13 0.00 0.00 0.00 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 2.39 0.00 154 F 8.16 3.91 0.00 3.42 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 0.00 155 I 8.54 3.77 2.08 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 1.53 0.66 0.94 0.00 0.00 156 A 8.06 3.95 1.44 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 0.00 0.00 0.00 157 I 7.48 3.41 1.40 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.23 0.25 0.00 0.00 158 C 7.15 4.13 0.00 3.00 2.91 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 0.00 0.00 0.00 159 T 7.71 4.10 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 0.00 160 D 8.39 4.56 0.00 2.60 2.52 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 * Residues marked with a * may have inaccurate shift predictions.