NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.7386 0.0000 0.0000 62.2479 33.4567 174.6830 2 L 5.5876 8.1378 122.1898 50.6076 43.7569 174.3615 3 R 4.7174 8.9854 120.1754 54.3751 34.3847 173.3219 4 L 4.7013 8.4674 119.5134 53.9265 42.2963 178.1605 5 G 3.8713 8.7992 114.2642 45.0968 0.0000 173.7696 6 G 3.7404 8.6853 107.5143 47.5704 0.0000 173.9044 7 N 4.7022 8.3113 115.3441 52.3552 37.7860 175.6997 8 G 3.9683 8.1399 107.7903 45.3619 0.0000 173.6843 9 Q 4.4695 7.9074 118.9785 54.5155 30.3005 175.4576 10 L 4.6334 8.5169 124.7868 56.2714 43.0530 175.6507 11 Q 4.8485 8.8332 121.2278 55.4126 34.0114 172.3573 12 Y 5.1849 8.7026 123.6374 56.5297 41.5598 175.4153 *13 W 4.8169 7.9045 127.1415 54.7472 32.4603 172.6639 14 P 4.1031 0.0000 0.0000 60.7797 31.7120 176.3312 15 F 4.2438 8.2190 118.9284 58.1797 39.6755 176.0687 16 S 4.2748 8.5390 118.5478 58.0728 63.9535 175.5682 17 S 3.9139 8.5841 123.7317 61.2789 62.9108 176.5143 18 S 4.0833 8.0838 118.4482 61.8866 62.5620 176.2778 19 D 3.5926 7.5955 120.3521 57.0900 40.3034 178.8556 20 L 3.4623 6.8035 118.7534 57.7696 41.5124 179.2223 21 Y 4.2509 7.7045 116.7628 60.8613 37.6387 177.6979 22 N 4.3898 8.3365 117.0967 56.3013 38.7369 177.2469 23 W 4.5355 7.8975 119.1554 59.1348 29.2521 178.3070 24 K 4.2539 7.7899 119.9685 59.3890 31.6099 178.0288 25 N 4.9875 8.4372 112.9667 53.6802 38.2207 175.2744 26 N 5.1260 7.8679 115.0949 52.8716 40.8458 173.6885 27 N 4.9940 7.8081 113.7350 51.4218 42.6130 172.5215 28 P 4.5832 0.0000 0.0000 61.6654 32.6315 177.2405 29 S 4.3252 8.4710 114.9286 58.5084 64.6587 175.1405 30 F 4.1824 8.9229 125.7569 62.0279 38.9174 177.3800 31 S 3.9326 8.6792 113.5644 62.0700 62.7248 175.9271 32 E 3.8407 8.1913 120.2202 58.0748 29.5435 176.3094 33 D 4.6251 7.9072 121.9793 51.4504 42.9554 173.7685 34 P 4.4396 0.0000 0.0000 64.0632 32.1781 180.0010 35 G 3.8897 7.2829 107.0649 46.8033 0.0000 176.0008 36 K 3.6024 8.5703 122.4018 59.4785 31.4694 180.5370 37 L 4.0997 8.1453 117.0449 58.5723 42.4489 179.3799 38 T 3.9070 8.0829 115.2066 66.8917 68.4108 176.3866 39 A 4.0447 8.5997 122.7065 54.5257 18.4657 179.3533 40 L 3.6457 7.7079 118.6598 58.5027 42.2224 179.1322 41 I 3.4977 8.2787 120.0708 64.4219 36.5303 178.0612 42 E 3.8932 7.9942 119.8985 59.1673 29.4151 178.6550 43 S 4.0311 8.3322 113.5508 61.4455 62.1426 175.9994 44 V 3.6037 7.6067 120.8326 66.2859 30.6111 177.6587 45 L 4.1356 7.9257 118.3234 58.3685 41.1168 179.8971 46 T 3.9915 7.5539 114.5208 67.0129 68.4465 177.3539 47 T 4.1218 8.5714 116.6811 65.6550 68.9548 175.5725 48 H 4.7317 9.4975 116.8934 54.1373 30.9979 173.3883 49 Q 3.7918 8.0128 120.2128 54.5856 26.6700 172.3293 50 P 4.6239 0.0000 0.0000 62.3009 32.3280 178.0320 51 T 4.2303 8.5976 111.9733 61.6906 70.5292 174.3850 52 W 3.9616 8.6428 128.5652 60.5189 30.6344 178.0488 53 D 4.0588 8.2959 118.3687 57.6372 40.3256 178.1279 54 D 4.5019 8.2978 119.5650 57.8326 40.8497 179.4415 55 C 4.2595 7.8155 116.6952 62.9989 28.2172 175.8127 56 Q 3.7109 7.3409 119.6395 59.3088 27.8766 179.6299 57 Q 3.9844 8.1717 120.0839 59.0501 29.0606 178.2592 58 L 3.8756 8.0658 119.9444 57.7794 41.7055 179.4140 59 L 3.9860 8.3875 119.2085 57.9056 41.4534 180.0108 60 G 3.5982 8.3103 104.0169 47.3319 0.0000 175.1060 61 T 4.2743 7.4171 116.2497 64.7352 68.9640 175.9476 62 L 4.6332 7.5448 118.1723 53.6878 42.7821 176.0340 63 L 4.9968 7.4319 118.2170 52.1877 45.8857 176.7570 64 T 4.4419 9.6648 112.5174 60.8136 71.2524 176.1508 65 G 3.9873 8.5905 109.2374 48.3862 0.0000 175.4816 66 E 3.9539 8.2360 120.6306 59.1421 29.4822 178.9565 67 E 4.0149 8.2396 118.1601 59.6906 29.6832 179.4425 68 K 3.7319 8.3701 119.6945 59.4906 32.0017 178.4417 69 Q 3.9362 7.9797 119.7633 59.3911 29.0399 178.6173 70 R 3.9266 7.9000 118.7260 59.1800 30.0937 179.2103 71 V 3.5394 8.0180 118.3076 65.9940 31.4614 178.1537 72 L 4.1778 8.0046 118.6981 57.6387 41.3543 179.1105 73 L 4.0029 7.9206 118.1541 57.9804 41.8857 179.3835 74 E 4.0015 8.3548 117.9524 59.3155 29.0379 178.8019 75 A 3.6671 7.4633 120.8362 55.3391 17.8617 179.8360 76 R 3.6443 7.2023 114.6641 59.2944 30.2426 178.7957 77 K 4.1625 7.4611 116.6595 58.6396 32.8443 177.7447 78 A 4.3170 7.0437 124.3380 51.1389 16.8432 176.1267 79 V 4.2624 7.4149 118.1956 64.5435 36.3852 175.8889 *88 Q 4.1322 7.6125 124.1975 55.7507 28.9273 174.1052 89 L 4.2554 7.8920 122.0073 53.3150 42.6715 175.7330 90 P 4.2214 0.0000 0.0000 66.3946 31.6780 177.9062 91 N 4.7034 7.7714 115.1920 52.9600 37.9547 175.3974 92 E 4.6920 8.3749 117.8059 56.5059 33.4904 176.9929 93 V 3.7856 8.3638 118.7536 66.4583 31.3376 177.7286 94 D 4.4777 8.1631 116.3185 57.0380 40.7809 178.0450 95 A 4.2292 8.0923 120.3186 54.6674 18.4743 178.5956 96 A 4.6543 7.5499 116.4173 52.9996 20.7243 177.5600 97 F 5.1647 8.4511 119.5243 55.9919 39.7865 171.5039 98 P 4.8002 0.0000 0.0000 61.4074 32.8227 177.2874 99 L 4.2790 8.7890 123.2214 58.2592 41.9625 178.2325 100 E 4.4689 7.9078 114.9710 54.7850 31.0244 178.3343 101 R 2.0000 7.8683 116.6748 55.8911 30.1251 175.5613 102 P 4.1556 0.0000 0.0000 61.6580 32.9822 176.3033 103 D 4.4495 7.2736 111.1017 52.0683 39.2714 175.6573 104 W 4.5525 7.4988 118.7267 57.1461 30.5546 177.1114 105 D 4.5113 8.6212 123.2290 53.5422 39.2184 175.7894 106 Y 4.5827 8.1235 122.1078 57.8951 38.4150 177.1109 107 T 4.2208 7.5524 110.8613 63.1833 69.9567 175.2432 108 T 4.6701 7.8724 112.9941 59.9491 72.1639 175.3759 109 T 4.0624 8.2762 118.2501 65.3918 68.2284 176.3997 110 E 4.0290 8.0844 122.2851 59.1774 29.7802 178.6041 111 G 3.8654 7.6667 105.8495 47.4232 0.0000 175.4013 112 R 3.9438 8.0797 122.1058 59.1468 29.9147 178.1529 113 N 4.2424 7.8324 115.5894 56.7949 38.5143 177.1105 114 H 3.6881 7.3744 116.9889 58.6541 28.4411 177.5100 115 L 4.1132 8.2096 121.2804 57.6205 41.4879 179.6533 116 V 3.5286 8.3181 118.2659 66.0604 31.6415 177.9370 117 L 3.9346 8.3019 120.2592 58.3597 41.8861 178.0609 118 Y 4.2922 8.2383 119.4513 61.0684 38.6728 178.1535 119 R 4.0393 8.6949 119.1646 59.5496 30.3944 178.6816 120 Q 3.9780 8.2421 118.9685 59.4399 29.0082 178.6093 121 L 3.9667 8.3260 120.2808 57.5523 41.5599 179.2083 122 L 3.9266 8.3471 120.7597 57.6621 41.9854 178.7485 123 L 3.9471 7.8019 120.3712 57.6320 41.8984 178.5708 124 A 4.0320 7.9083 120.7137 55.0992 18.4047 179.5320 125 G 3.6359 7.9533 104.0754 48.0487 0.0000 175.3986 126 L 3.9957 7.8619 120.8708 57.9297 41.9537 179.2704 127 Q 4.1175 8.1621 117.4674 59.4611 28.5224 178.7585 128 N 4.4191 9.0663 117.8950 55.4144 38.7417 176.6221 129 A 4.4458 7.9381 121.5549 53.7416 19.0252 179.4946 130 G 3.6492 8.3251 106.9982 48.6224 0.0000 174.4775 131 R 4.1307 7.8459 122.9660 55.8846 29.5105 178.1208 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 P 0.00 4.74 0.00 1.85 1.95 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.00 2 L 8.14 5.59 0.00 1.41 1.45 0.79 -0.32 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 3 R 8.99 4.72 0.00 1.79 1.93 0.00 2.94 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 4 L 8.47 4.70 0.00 1.54 1.67 0.94 0.88 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 5 G 8.80 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 6 G 8.69 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 0.00 0.00 0.00 7 N 8.31 4.70 0.00 2.81 2.92 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.14 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 0.00 0.00 0.00 9 Q 7.91 4.47 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 10 L 8.52 4.63 0.00 1.73 1.76 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.83 4.85 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 12 Y 8.70 5.18 0.00 2.81 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 *13 W 7.90 4.82 0.00 2.21 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 0.00 0.00 0.00 14 P 0.00 4.10 0.00 2.02 2.06 0.00 3.57 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 2.22 0.00 15 F 8.22 4.24 0.00 2.95 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 16 S 8.54 4.27 0.00 3.84 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 17 S 8.58 3.91 0.00 4.10 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 18 S 8.08 4.08 0.00 3.79 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 19 D 7.60 3.59 0.00 1.98 1.54 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 20 L 6.80 3.46 0.00 1.20 1.21 0.65 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 0.00 0.00 0.00 0.00 21 Y 7.70 4.25 0.00 2.95 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 22 N 8.34 4.39 0.00 2.49 2.92 0.00 0.00 7.08 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 23 W 7.90 4.54 0.00 3.41 3.02 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 0.00 0.00 0.00 24 K 7.79 4.25 0.00 2.03 2.00 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.90 7.81 25 N 8.44 4.99 0.00 2.86 2.85 0.00 0.00 6.88 7.86 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 26 N 7.87 5.13 0.00 2.99 2.80 0.00 0.00 6.67 9.19 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 27 N 7.81 4.99 0.00 2.84 2.69 0.00 0.00 7.12 8.02 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 28 P 0.00 4.58 0.00 2.04 2.06 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 S 8.47 4.33 0.00 4.13 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 30 F 8.92 4.18 0.00 3.12 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 31 S 8.68 3.93 0.00 3.93 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 8.19 3.84 0.00 1.94 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 0.00 2.32 2.36 0.00 33 D 7.91 4.63 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 1.88 1.28 0.00 3.80 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 1.88 1.63 0.00 35 G 7.28 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 0.00 0.00 0.00 36 K 8.57 3.60 0.00 1.77 1.69 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.15 7.81 37 L 8.15 4.10 0.00 2.00 1.92 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.08 3.91 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 1.29 0.00 0.00 39 A 8.60 4.04 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 40 L 7.71 3.65 0.00 1.61 1.70 0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.28 3.50 1.96 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 1.32 0.82 0.87 0.00 0.00 42 E 7.99 3.89 0.00 2.04 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 0.00 2.28 2.30 0.00 43 S 8.33 4.03 0.00 3.81 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 44 V 7.61 3.60 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 1.03 0.00 0.00 -0.28 0.00 0.00 45 L 7.93 4.14 0.00 1.97 1.78 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.55 3.99 4.37 0.00 0.00 0.00 0.00 0.00 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 47 T 8.57 4.12 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 1.20 0.00 0.00 48 H 9.50 4.73 0.00 3.37 3.43 0.00 5.96 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.01 3.79 0.00 2.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 50 P 0.00 4.62 0.00 2.30 2.22 0.00 3.70 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 51 T 8.60 4.23 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 1.31 0.00 0.00 52 W 8.64 3.96 0.00 2.87 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 53 D 8.30 4.06 0.00 2.78 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 54 D 8.30 4.50 0.00 2.88 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 55 C 7.82 4.26 0.00 3.04 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 56 Q 7.34 3.71 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 1.32 1.34 0.00 57 Q 8.17 3.98 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 58 L 8.07 3.88 0.00 1.98 1.68 1.03 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.39 3.99 0.00 1.57 1.64 0.91 0.83 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 60 G 8.31 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 61 T 7.42 4.27 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 0.94 0.00 0.00 62 L 7.54 4.63 0.00 1.71 1.69 0.96 0.96 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 63 L 7.43 5.00 0.00 1.59 1.43 0.55 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.66 4.44 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 1.31 0.00 0.00 65 G 8.59 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 66 E 8.24 3.95 0.00 2.10 2.06 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 2.43 2.50 0.00 67 E 8.24 4.01 0.00 2.24 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 0.00 2.64 2.45 0.00 68 K 8.37 3.73 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 69 Q 7.98 3.94 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 70 R 7.90 3.93 0.00 2.17 2.02 0.00 3.26 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 71 V 8.02 3.54 1.95 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 0.92 0.00 0.00 0.59 0.00 0.00 72 L 8.00 4.18 0.00 1.87 1.96 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.92 4.00 0.00 1.78 1.75 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.35 4.00 0.00 1.91 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 2.42 2.47 0.00 75 A 7.46 3.67 -0.06 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 76 R 7.20 3.64 0.00 2.00 2.04 0.00 3.46 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 77 K 7.46 4.16 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.67 7.81 78 A 7.04 4.32 1.16 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 0.00 0.00 79 V 7.41 4.26 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 0.87 0.00 0.00 1.00 0.00 0.00 *88 Q 7.61 4.13 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 89 L 7.89 4.26 0.00 1.73 1.60 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.22 0.00 2.19 2.10 0.00 3.60 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 2.14 2.13 0.00 91 N 7.77 4.70 0.00 2.83 2.93 0.00 0.00 5.69 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 92 E 8.37 4.69 0.00 2.01 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 2.23 2.27 0.00 93 V 8.36 3.79 2.35 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 1.16 0.00 0.00 0.98 0.00 0.00 94 D 8.16 4.48 0.00 2.75 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 95 A 8.09 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.55 4.65 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 97 F 8.45 5.16 0.00 3.08 3.04 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 P 0.00 4.80 0.00 2.15 2.10 0.00 3.65 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.36 0.00 99 L 8.79 4.28 0.00 1.77 1.88 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.91 4.47 0.00 1.98 1.74 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 2.19 1.86 0.00 101 R 7.87 2.00 0.00 1.82 1.76 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 102 P 0.00 4.16 0.00 0.49 0.77 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.27 4.45 0.00 2.66 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 0.00 104 W 7.50 4.55 0.00 3.41 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 0.00 105 D 8.62 4.51 0.00 2.67 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 0.00 106 Y 8.12 4.58 0.00 3.09 3.17 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 0.00 107 T 7.55 4.22 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 0.85 0.00 0.00 108 T 7.87 4.67 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 1.26 0.00 0.00 109 T 8.28 4.06 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 1.24 0.00 0.00 110 E 8.08 4.03 0.00 1.99 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 2.37 2.31 0.00 111 G 7.67 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 0.00 112 R 8.08 3.94 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 113 N 7.83 4.24 0.00 2.94 2.71 0.00 0.00 7.00 7.82 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 0.00 114 H 7.37 3.69 0.00 2.44 1.31 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.21 4.11 0.00 1.87 1.79 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.32 3.53 2.30 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 0.99 0.00 0.00 1.00 0.00 0.00 117 L 8.30 3.93 0.00 1.79 1.63 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.24 4.29 0.00 3.48 3.39 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 0.00 119 R 8.69 4.04 0.00 1.96 2.08 0.00 3.36 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 120 Q 8.24 3.98 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 121 L 8.33 3.97 0.00 2.01 1.49 1.17 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.35 3.93 0.00 1.66 1.64 0.98 0.38 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 0.00 123 L 7.80 3.95 0.00 1.85 1.83 0.92 1.50 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 0.00 124 A 7.91 4.03 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 0.00 125 G 7.95 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 0.00 126 L 7.86 4.00 0.00 1.75 1.85 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.16 4.12 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 128 N 9.07 4.42 0.00 2.75 3.10 0.00 0.00 7.13 6.50 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 0.00 129 A 7.94 4.45 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.65 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 0.00 0.00 0.00 131 R 7.85 4.13 0.00 1.84 1.72 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.