NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.4647 8.3349 117.0959 57.0516 63.9668 173.6233 17 P 4.7385 0.0000 0.0000 58.8899 31.9230 175.0995 18 N 4.6664 8.7637 121.1123 52.1747 40.6555 175.4974 19 A 3.9256 8.4922 120.9535 55.3217 18.2812 179.5851 20 A 3.8895 7.9628 118.7000 55.2092 18.4983 179.8808 21 V 3.1814 8.3081 117.0182 66.1749 31.6146 178.1477 22 Q 3.9472 8.2070 117.9472 59.2508 28.5116 179.2659 23 S 4.2042 8.3054 116.2902 61.3814 62.7312 176.9552 24 G 3.5477 7.9590 108.5850 47.6264 0.0000 175.5283 25 L 3.9979 7.6650 122.9456 57.7993 42.0500 178.7840 26 Q 3.9488 8.1260 119.5777 59.2329 28.9191 177.9931 27 E 3.9187 8.3877 120.3538 58.8319 29.6386 178.2955 28 W 4.1897 8.6231 128.8350 61.0679 30.7612 177.6013 29 H 4.1519 8.4841 115.9615 58.8133 28.0326 177.8473 30 R 3.7554 8.0013 120.3978 59.4273 29.9640 178.6114 31 I 3.2322 7.6831 119.8907 64.1367 36.9323 178.5714 32 I 2.6201 7.0208 120.2394 63.9758 36.6409 178.2943 33 A 3.9062 7.8778 120.4508 54.5463 18.2638 178.5387 34 E 4.1747 7.9139 113.6208 54.7381 30.3748 175.6944 35 A 2.6508 6.7646 120.6052 52.6571 17.4403 178.6855 36 D 4.3462 6.7230 118.4582 54.0855 37.9974 175.6732 37 W 4.3979 7.1629 122.6560 59.3206 29.4922 177.6158 38 E 4.0381 8.2660 118.2549 58.5520 28.4591 177.7687 39 R 4.4022 7.8263 116.3392 55.9488 30.5254 177.8637 40 L 4.0954 7.9038 122.1489 57.8887 42.3264 176.8750 41 P 4.3138 0.0000 0.0000 65.8966 31.0536 178.0876 42 D 4.5214 7.5421 116.4966 56.3491 40.9183 177.6681 43 L 4.3001 8.0599 120.5733 55.3764 42.3945 175.8299 44 L 4.7123 7.0647 117.9668 53.1665 43.3488 176.4299 45 A 4.2779 8.6145 125.6851 51.6536 19.0915 178.4575 46 E 3.9919 8.8287 121.3197 58.8282 29.8427 177.3843 47 D 4.9154 7.8720 116.3850 52.8176 40.0675 176.5100 48 V 3.9693 7.5487 119.4879 63.0114 32.5463 174.8720 49 V 4.8311 8.6201 122.7806 61.2610 34.3666 174.1559 50 F 5.6162 9.2794 128.7874 56.7619 42.6261 173.2906 51 S 4.8135 9.2537 123.2590 56.7185 64.7475 173.5715 52 N 4.9361 8.0167 121.9669 50.2898 39.9351 174.0063 53 P 4.3873 0.0000 0.0000 64.2273 31.5887 177.5089 54 S 4.7362 7.6998 111.6486 57.9755 64.6300 174.2532 55 T 4.7291 8.0694 110.2516 59.5564 71.5273 173.8820 56 F 4.1908 8.9138 125.8618 61.2057 39.7933 175.9069 57 D 4.3278 7.8792 119.8577 53.3170 41.1647 174.2969 58 P 4.4383 0.0000 0.0000 62.9762 32.4988 175.1090 59 Y 4.6079 8.9322 119.1075 57.3369 39.8919 174.2987 60 H 5.2316 9.1957 119.5174 55.3547 31.5013 174.9769 61 G 4.0600 9.2137 108.3064 44.9502 0.0000 173.7979 62 K 4.1099 8.5506 117.4554 59.1434 32.4111 179.9095 63 G 3.8353 8.3331 106.9843 48.3304 0.0000 172.6558 64 P 4.2754 0.0000 0.0000 65.0493 31.6627 178.5675 65 L 3.9687 7.4517 117.1474 54.9172 41.6142 179.3569 *67 V 3.8677 7.9999 119.6436 63.0264 33.3379 177.3595 68 I 3.6686 7.7214 120.2511 63.9482 37.0319 178.1743 69 L 3.8060 7.5038 119.7247 57.4458 41.4648 177.9188 70 P 2.9700 0.0000 0.0000 64.8668 30.8263 178.5995 71 A 3.8884 6.8515 117.2342 54.8916 18.6892 179.4952 72 V 3.5819 7.7610 116.8680 66.3762 31.5390 178.4341 73 F 3.9368 8.2823 117.4120 60.2741 38.4321 177.6318 74 S 4.2466 7.9448 112.4057 61.1517 62.1986 175.8655 75 V 3.9704 7.4732 119.5150 63.7048 31.4185 175.9447 76 L 4.2646 7.0946 117.9182 54.2224 41.9100 176.2219 77 E 4.5736 9.3329 124.2223 55.9095 31.0727 175.6570 78 N 4.1972 8.8256 115.6923 53.9244 36.4020 174.5834 79 F 4.3194 8.3907 119.3940 58.7506 40.2781 174.0646 80 Q 4.3942 8.0965 126.8335 54.4779 32.2633 173.5090 81 Y 4.9113 8.7551 124.3211 57.1436 38.8634 174.3956 82 A 4.8659 9.1769 123.7384 52.1068 21.4613 179.8788 83 R 4.1775 9.2612 119.2099 59.0341 30.9181 174.0982 84 H 5.6519 7.8975 116.4426 54.2773 32.0958 172.3698 85 F 5.1082 9.1526 117.0113 56.2506 43.6239 173.6829 86 S 5.2580 8.8676 115.3760 56.8949 65.4630 173.0418 87 S 4.9048 8.5580 115.6894 56.1452 65.8883 174.5836 88 K 4.2107 8.6022 117.9571 59.3276 32.4838 178.0736 89 S 4.6508 7.3860 112.1891 57.7221 64.5565 173.0324 90 G 4.4869 7.3434 107.1877 46.3458 0.0000 171.5484 91 Y 5.4796 9.0652 116.1785 56.4472 43.1817 174.7418 92 V 4.9139 9.2201 121.4503 61.2413 34.6702 174.2417 93 L 4.8443 9.2739 128.3357 52.8315 44.0521 175.6992 94 E 4.8219 9.4052 126.3713 56.3106 31.1376 175.4575 95 F 5.3867 8.9659 119.3786 55.6914 42.1782 172.6844 96 N 5.4817 8.4965 116.2240 51.9834 41.9618 173.8688 97 A 4.6726 8.3478 121.8601 52.1130 23.6926 173.8670 98 N 5.2049 7.9893 116.8966 50.8665 41.0557 172.8035 *100 G 4.1739 8.7453 106.8242 46.0041 0.0000 172.7976 101 D 4.5996 8.8640 125.2540 53.0698 39.7144 175.8570 102 E 4.4026 7.8813 120.7966 55.2253 29.6041 175.4293 103 L 4.5885 8.2481 124.3814 54.2490 43.0887 176.1897 104 L 4.9883 8.4672 120.5634 54.9470 44.1954 174.2567 105 T 4.9351 8.1541 109.8840 60.3445 72.3845 172.3654 106 G 3.4959 7.5684 107.6153 45.7285 0.0000 172.4504 107 V 5.2219 7.8245 111.2801 59.6374 36.4421 174.7945 108 D 5.4355 9.5901 123.7449 52.8840 43.0489 175.0403 109 L 5.0989 9.0554 127.2700 53.5792 44.0226 175.1363 110 I 4.8153 8.9276 127.1692 59.5085 40.7301 174.1641 111 E 4.9923 8.8329 126.4820 54.5393 32.0810 175.1394 112 F 5.4106 9.0736 122.4149 55.6601 42.4491 175.2061 113 N 4.8162 9.1191 120.0132 51.6450 38.8091 175.8162 114 D 4.3188 8.6070 117.0217 57.0360 40.8207 177.4480 115 A 4.2911 8.2252 119.7755 51.9133 18.8281 177.3449 116 G 3.9480 8.3367 104.1717 46.3546 0.0000 173.8381 117 K 4.9326 8.3501 118.2813 54.0448 34.4959 175.7316 118 I 4.0066 8.6200 124.2904 61.6218 37.5014 176.6492 119 T 4.3335 8.9033 117.5170 62.3393 71.1958 174.2999 120 D 5.2194 7.6466 121.2698 52.5292 45.7378 174.0593 121 L 5.0370 9.0539 124.3544 53.3200 45.4334 174.9670 122 V 4.9379 9.0051 126.6588 61.1663 34.0506 174.5397 123 V 5.5759 8.9599 127.1455 60.0445 34.9868 174.6520 *126 R 4.1331 8.2715 118.7479 55.0287 30.5608 173.3846 127 P 4.6920 0.0000 0.0000 62.1056 32.6561 176.8734 128 A 4.0214 8.7864 122.0514 55.7270 17.9514 180.2872 129 S 4.0930 8.0485 112.0106 61.7404 63.0164 176.8663 130 V 3.8620 7.6728 122.7081 65.0849 31.1687 178.2196 131 V 3.7431 7.6881 117.7234 65.7613 31.2320 177.8823 132 I 3.6946 7.8055 119.6750 64.5159 36.8887 178.0775 133 D 4.3774 7.8232 119.6636 57.3653 40.6012 178.6320 134 L 3.9825 8.4401 121.1441 58.3853 42.0526 179.2646 135 S 4.1410 8.4065 115.3199 61.2714 62.6953 176.8016 136 V 3.5624 7.5544 121.2167 66.0653 31.2251 177.7958 137 E 3.9656 8.0224 118.8984 59.0951 29.3831 178.8398 138 V 3.6394 8.2510 118.9983 65.8480 31.5571 178.1043 139 G 3.6729 8.0793 105.4779 47.9563 0.0000 175.8071 140 K 4.0383 7.8541 120.4622 59.1666 31.8214 179.7318 141 R 3.9351 8.0600 117.8168 59.1461 30.3184 178.9391 142 I 3.7803 7.9915 119.5005 64.4127 36.9469 178.2870 143 A 4.0236 7.7804 119.9178 54.6984 18.2095 178.5050 144 A 4.3562 7.5593 116.2317 51.0009 19.4683 177.3358 145 A 4.0029 7.3097 121.6751 53.1523 18.8188 178.1738 146 Q 4.4932 8.2347 119.4802 55.9193 30.2737 176.0873 147 S 4.2749 7.7583 117.2786 58.9563 62.3612 175.5176 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 16 S 8.33 4.46 0.00 3.65 3.74 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 17 P 0.00 4.74 0.00 2.10 1.88 0.00 3.70 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 18 N 8.76 4.67 0.00 2.98 2.97 0.00 0.00 5.94 7.25 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 19 A 8.49 3.93 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 20 A 7.96 3.89 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 21 V 8.31 3.18 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 0.89 0.00 0.00 1.04 0.00 0.00 22 Q 8.21 3.95 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 23 S 8.31 4.20 0.00 3.99 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 24 G 7.96 3.55 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 0.00 0.00 0.00 25 L 7.67 4.00 0.00 1.28 1.57 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.13 3.95 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 27 E 8.39 3.92 0.00 2.15 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 2.35 2.40 0.00 28 W 8.62 4.19 0.00 3.61 3.30 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 29 H 8.48 4.15 0.00 3.39 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.00 3.76 0.00 1.93 1.96 0.00 3.02 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 31 I 7.68 3.23 1.52 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 0.57 0.20 0.00 0.00 32 I 7.02 2.62 1.44 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 0.10 0.70 0.22 0.00 0.00 33 A 7.88 3.91 1.25 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 0.00 0.00 0.00 34 E 7.91 4.17 0.00 1.76 1.80 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 2.14 2.23 0.00 35 A 6.76 2.65 1.14 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 0.00 0.00 0.00 0.00 0.00 36 D 6.72 4.35 0.00 2.53 2.24 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 37 W 7.16 4.40 0.00 3.42 3.13 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 0.00 0.00 0.00 38 E 8.27 4.04 0.00 1.97 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 2.29 2.42 0.00 39 R 7.83 4.40 0.00 1.79 1.89 0.00 3.33 0.00 0.00 3.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 40 L 7.90 4.10 0.00 1.99 1.91 1.12 0.93 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 41 P 0.00 4.31 0.00 2.22 2.12 0.00 3.86 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 42 D 7.54 4.52 0.00 2.86 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 43 L 8.06 4.30 0.00 1.87 1.94 1.26 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.06 4.71 0.00 1.86 1.59 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.61 4.28 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 46 E 8.83 3.99 0.00 1.96 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 2.31 2.27 0.00 47 D 7.87 4.92 0.00 3.10 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 48 V 7.55 3.97 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 0.90 0.00 0.00 0.90 0.00 0.00 49 V 8.62 4.83 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 0.86 0.00 0.00 1.01 0.00 0.00 50 F 9.28 5.62 0.00 3.03 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 51 S 9.25 4.81 0.00 3.65 3.55 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 52 N 8.02 4.94 0.00 2.68 2.04 0.00 0.00 6.25 7.76 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 53 P 0.00 4.39 0.00 2.10 2.20 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 54 S 7.70 4.74 0.00 4.12 3.97 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 55 T 8.07 4.73 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 1.24 0.00 0.00 56 F 8.91 4.19 0.00 2.95 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 57 D 7.88 4.33 0.00 2.53 2.44 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 58 P 0.00 4.44 0.00 1.84 1.85 0.00 3.59 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 59 Y 8.93 4.61 0.00 3.01 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 60 H 9.20 5.23 0.00 3.06 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.21 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 4.11 0.00 1.85 1.88 0.00 1.71 0.00 0.00 1.96 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.46 7.81 63 G 8.33 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 64 P 0.00 4.28 0.00 2.24 1.97 0.00 3.76 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 2.43 2.21 0.00 65 L 7.45 3.97 0.00 1.77 1.48 0.87 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 *67 V 8.00 3.87 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 0.92 0.00 0.00 0.94 0.00 0.00 68 I 7.72 3.67 1.83 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.33 1.00 0.00 0.00 69 L 7.50 3.81 0.00 1.35 1.29 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 2.97 0.00 1.65 1.02 0.00 3.28 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.45 0.00 71 A 6.85 3.89 1.27 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 0.00 0.00 0.00 72 V 7.76 3.58 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 0.71 0.00 0.00 0.95 0.00 0.00 73 F 8.28 3.94 0.00 3.16 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 74 S 7.94 4.25 0.00 3.98 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 75 V 7.47 3.97 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 0.90 0.00 0.00 0.97 0.00 0.00 76 L 7.09 4.26 0.00 1.74 1.77 0.50 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.33 4.57 0.00 2.13 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 2.30 2.48 0.00 78 N 8.83 4.20 0.00 3.02 2.90 0.00 0.00 6.90 7.45 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 79 F 8.39 4.32 0.00 3.05 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 80 Q 8.10 4.39 0.00 2.13 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 81 Y 8.76 4.91 0.00 3.06 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 82 A 9.18 4.87 1.04 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 83 R 9.26 4.18 0.00 2.12 1.66 0.00 3.19 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 84 H 7.90 5.65 0.00 3.10 3.24 0.00 5.70 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 85 F 9.15 5.11 0.00 3.07 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 86 S 8.87 5.26 0.00 3.63 3.97 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 87 S 8.56 4.90 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 88 K 8.60 4.21 0.00 2.02 2.09 0.00 1.56 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.00 7.81 89 S 7.39 4.65 0.00 4.16 4.08 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 0.00 0.00 0.00 90 G 7.34 4.49 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 0.00 91 Y 9.07 5.48 0.00 2.88 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 92 V 9.22 4.91 2.23 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 1.07 0.00 0.00 0.96 0.00 0.00 93 L 9.27 4.84 0.00 1.87 1.58 0.53 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.41 4.82 0.00 2.28 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 0.00 2.32 2.26 0.00 95 F 8.97 5.39 0.00 2.25 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 96 N 8.50 5.48 0.00 2.59 2.72 0.00 0.00 7.12 7.73 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 97 A 8.35 4.67 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 98 N 7.99 5.20 0.00 2.99 2.83 0.00 0.00 6.77 6.85 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 *100 G 8.75 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.86 4.60 0.00 2.80 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 0.00 102 E 7.88 4.40 0.00 2.07 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 2.35 2.33 0.00 103 L 8.25 4.59 0.00 1.64 1.60 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.47 4.99 0.00 1.91 1.74 1.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.15 4.94 4.22 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 0.00 0.00 0.00 1.26 0.00 0.00 106 G 7.57 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 5.22 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 1.02 0.00 0.00 0.96 0.00 0.00 108 D 9.59 5.44 0.00 2.97 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 0.00 109 L 9.06 5.10 0.00 1.73 1.56 0.92 0.62 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 0.00 110 I 8.93 4.82 1.81 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.45 0.08 0.00 0.00 111 E 8.83 4.99 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 2.18 2.36 0.00 112 F 9.07 5.41 0.00 2.99 2.98 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 0.00 113 N 9.12 4.82 0.00 2.96 3.01 0.00 0.00 7.12 7.61 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 0.00 114 D 8.61 4.32 0.00 2.71 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 0.00 115 A 8.23 4.29 1.31 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 0.00 116 G 8.34 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 0.00 117 K 8.35 4.93 0.00 1.96 1.92 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.57 7.81 118 I 8.62 4.01 1.76 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 0.17 0.46 0.72 0.00 0.00 119 T 8.90 4.33 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 1.30 0.00 0.00 120 D 7.65 5.22 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 5.04 0.00 1.62 1.56 0.84 0.59 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 0.00 122 V 9.01 4.94 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 1.00 0.00 0.00 0.91 0.00 0.00 123 V 8.96 5.58 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 1.39 0.00 0.00 1.36 0.00 0.00 *126 R 8.27 4.13 0.00 2.04 2.06 0.00 2.98 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 127 P 0.00 4.69 0.00 2.24 2.21 0.00 3.81 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 2.07 1.96 0.00 128 A 8.79 4.02 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 0.00 129 S 8.05 4.09 0.00 4.06 4.14 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 0.00 0.00 0.00 130 V 7.67 3.86 2.24 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 1.04 0.00 0.00 1.04 0.00 0.00 131 V 7.69 3.74 2.25 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 1.12 0.00 0.00 1.00 0.00 0.00 132 I 7.81 3.69 2.05 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 1.76 0.78 0.92 0.00 0.00 133 D 7.82 4.38 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 0.00 134 L 8.44 3.98 0.00 1.74 1.88 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.41 4.14 0.00 4.03 3.91 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 0.00 136 V 7.55 3.56 2.23 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 1.00 0.00 0.00 0.94 0.00 0.00 137 E 8.02 3.97 0.00 2.08 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 2.31 2.35 0.00 138 V 8.25 3.64 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 1.00 0.00 0.00 0.95 0.00 0.00 139 G 8.08 3.67 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 0.00 0.00 0.00 140 K 7.85 4.04 0.00 1.97 1.86 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 141 R 8.06 3.94 0.00 1.88 1.96 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 142 I 7.99 3.78 1.99 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 1.38 1.16 0.87 0.00 0.00 143 A 7.78 4.02 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 0.00 144 A 7.56 4.36 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 0.00 145 A 7.31 4.00 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 0.00 146 Q 8.23 4.49 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 147 S 7.76 4.27 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.