NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9982 8.0244 114.2689 61.0083 38.7990 175.0801 4 R 4.0135 7.8513 117.0814 53.2944 31.0586 171.9184 5 P 4.3459 0.0000 0.0000 62.6922 33.5314 176.1343 6 L 4.3557 8.1690 123.9540 54.2293 41.1082 172.8769 7 H 4.2933 8.2461 121.2200 56.1572 30.4687 174.7812 8 D 4.7341 9.4801 128.2051 55.4236 41.4300 174.0491 9 R 4.5482 7.4625 114.7778 56.4782 30.7398 175.6675 10 V 4.6940 9.0407 120.8100 61.3502 35.7297 173.7132 11 I 4.9024 8.8041 127.4397 59.8618 39.2500 175.2613 12 V 5.0209 8.8650 119.6700 59.3823 36.5299 174.2868 13 K 4.9022 8.5507 120.6967 55.0463 34.9984 176.3038 14 R 4.6740 8.5740 121.2557 56.5243 31.0755 176.5539 15 K 4.4636 8.6536 122.0884 54.9974 34.0208 176.5440 16 E 4.0169 8.6755 120.1137 56.8715 29.8067 177.4472 17 V 3.8282 8.2661 122.1117 64.1089 33.0317 175.8976 18 E 3.6495 9.1173 126.6763 56.9709 27.7270 175.5296 19 T 3.8890 7.6329 114.7784 64.1778 69.0108 175.2761 20 K 4.9253 8.9398 124.4087 56.6321 32.2614 178.5184 21 S 4.6327 7.9229 113.2271 57.9623 63.6512 175.4151 22 A 4.1518 8.0484 123.1064 53.7528 18.1060 178.3789 23 G 3.7241 8.2454 105.3137 47.2188 0.0000 173.7718 24 G 3.7384 7.1001 111.6323 45.4727 0.0000 174.5685 25 I 4.3206 7.4751 118.7111 61.9298 39.7758 176.8266 26 V 3.6734 7.6043 118.5635 62.5797 31.8237 176.2631 27 L 4.3179 8.1662 128.8265 54.8818 40.2732 175.0923 28 T 4.0794 8.4894 117.6647 60.9743 66.1476 174.8518 29 G 4.2204 8.0077 118.2835 44.4937 0.0000 170.7902 30 S 4.5118 8.7115 114.8809 58.2085 63.2674 174.2592 31 A 4.5301 9.9118 124.7249 51.5863 20.6798 174.9653 32 A 3.8101 8.4162 120.9628 52.3048 16.6753 177.8932 33 A 4.1930 7.7571 118.2374 52.9483 20.3582 176.3941 34 K 4.2094 8.4419 116.7018 56.0131 34.8428 177.8251 35 S 4.7304 5.8100 112.5982 58.4513 66.5002 176.4575 36 T 3.4760 8.2420 116.9823 62.9544 70.1677 174.1142 37 R 5.0682 7.6516 121.6592 54.4355 33.6138 174.8326 38 G 4.5936 9.1027 109.0032 45.0751 0.0000 170.8420 39 E 5.1032 8.8514 122.1956 54.3844 31.6982 175.2775 40 V 4.0294 8.9277 128.0254 63.1713 32.1424 176.0909 41 L 4.4961 8.8301 127.6667 56.2481 43.5144 176.9281 42 A 4.6487 7.5193 117.7896 50.7569 22.4515 175.5160 43 V 4.5350 8.3429 120.3956 61.2037 35.2855 176.2570 44 G 4.1114 7.6561 110.9838 44.1358 0.0000 173.8149 45 N 4.6483 8.5887 115.7951 53.8136 40.0419 174.9352 46 G 4.1205 7.0544 102.7830 43.8653 0.0000 176.7339 47 R 4.7153 9.2009 128.9410 55.5081 32.5896 174.7438 48 I 4.4444 7.8764 129.7679 59.2144 35.8549 174.7000 49 L 4.4883 7.2322 119.9486 54.3633 46.6907 174.9033 50 E 3.3789 8.3427 117.9314 61.2874 27.0989 175.9812 51 N 3.5448 8.1860 114.6950 56.1550 40.6812 174.7009 52 G 3.6196 7.9019 112.7081 45.6670 0.0000 173.5012 53 E 3.7214 8.3223 127.1287 54.9373 28.7443 174.2925 54 V 4.1437 8.0443 119.7124 62.1033 31.9592 175.4376 55 K 4.3898 8.4252 129.4049 55.8061 33.7169 174.9449 56 P 4.5141 0.0000 0.0000 62.1483 32.2948 176.2209 57 L 4.2445 8.4852 121.5119 55.3189 42.2351 176.6438 58 D 4.7077 9.0525 119.2738 55.1374 41.9682 178.0967 59 V 3.9762 7.8728 111.7815 61.0458 32.6658 174.6191 60 K 4.5367 7.7904 117.6253 55.4438 35.5747 175.4192 61 V 3.6094 8.0526 119.4622 64.2827 31.7223 176.1681 62 G 3.9676 8.6789 115.6514 45.1513 0.0000 173.2273 63 D 4.6875 7.5430 118.4973 54.2046 42.5918 175.1944 64 I 4.9319 8.2126 120.6893 59.9361 38.9508 175.7178 65 V 4.6037 9.0247 120.7276 59.5652 35.4199 174.6453 66 I 5.0041 8.7742 124.8372 59.7871 39.0649 174.9122 67 F 5.3527 8.3467 121.1456 54.8751 41.5635 173.7331 68 N 4.4063 8.9160 119.3366 53.3644 39.0835 175.6530 69 D 4.7321 8.9010 127.3019 52.8824 39.3002 174.5773 70 G 4.0572 7.7071 112.1551 44.5824 0.0000 171.0632 71 Y 4.3983 8.9131 119.4229 58.8831 38.8270 177.0380 72 G 3.7198 8.0748 107.3072 48.6573 0.0000 174.5742 73 V 3.7678 7.8282 120.3958 62.4761 32.2026 175.6561 74 K 4.5367 8.8667 127.5799 54.5647 34.5033 175.4665 75 S 4.8049 8.6541 119.6997 58.3404 63.4686 172.5998 76 E 4.6495 8.8666 124.1660 55.6740 34.7702 174.2442 77 K 4.9826 8.9849 122.4509 53.3861 32.8479 174.0027 78 I 4.3804 7.9862 125.0578 60.3524 39.3847 175.5268 79 D 4.5246 9.8151 122.6558 55.1800 38.4274 174.1610 80 N 4.4814 8.3978 114.2329 53.6283 37.8610 174.0023 81 E 4.1798 8.1073 117.1761 56.5835 30.2139 176.0475 82 E 4.5695 8.5924 121.7129 56.9051 29.1425 176.6825 83 V 4.4055 8.7957 118.7433 59.7000 34.8186 175.0619 84 L 5.1468 8.7675 121.8306 53.0662 45.4855 175.7686 85 I 4.8923 8.6731 124.8150 59.8021 39.3841 174.5604 86 M 5.0139 8.4743 124.0868 52.9985 35.1168 175.4367 87 S 4.6198 9.0712 115.9787 58.1044 63.8267 175.5263 88 E 3.8917 9.0979 124.6297 59.5047 29.4589 178.9604 89 S 4.3931 8.4896 112.5855 60.0264 62.5129 174.1844 90 D 4.8723 8.2301 120.1129 54.0303 42.1393 176.2042 91 I 4.2762 7.6765 120.6608 60.9095 38.1405 175.1312 92 L 4.6284 8.6755 123.4825 55.9826 43.6542 176.0698 93 A 4.4112 7.1851 117.5494 51.7734 22.4343 174.7443 94 I 4.7310 8.3612 120.9053 60.2274 40.9804 177.5128 *95 V 3.8961 8.2804 120.4755 61.1744 32.2095 175.9435 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 3 I 8.02 4.00 1.86 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 1.29 1.11 0.90 0.00 0.00 4 R 7.85 4.01 0.00 1.78 1.82 0.00 3.39 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.74 0.00 5 P 0.00 4.35 0.00 2.30 2.12 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 6 L 8.17 4.36 0.00 1.59 1.59 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.25 4.29 0.00 3.48 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.48 4.73 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 9 R 7.46 4.55 0.00 1.83 1.97 0.00 3.04 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 10 V 9.04 4.69 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 0.95 0.00 0.00 0.91 0.00 0.00 11 I 8.80 4.90 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.87 0.00 0.00 12 V 8.86 5.02 2.18 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 0.71 0.00 0.00 0.77 0.00 0.00 13 K 8.55 4.90 0.00 1.82 1.89 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.40 7.81 14 R 8.57 4.67 0.00 1.79 1.97 0.00 3.32 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 15 K 8.65 4.46 0.00 1.63 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.45 7.81 16 E 8.68 4.02 0.00 1.95 1.90 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 2.33 2.26 0.00 17 V 8.27 3.83 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 0.80 0.00 0.00 0.95 0.00 0.00 18 E 9.12 3.65 0.00 2.14 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 2.24 2.32 0.00 19 T 7.63 3.89 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 1.21 0.00 0.00 20 K 8.94 4.93 0.00 1.86 1.82 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.65 7.81 21 S 7.92 4.63 0.00 4.01 4.07 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 0.00 0.00 0.00 22 A 8.05 4.15 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 23 G 8.25 3.72 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 24 G 7.10 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 25 I 7.48 4.32 1.87 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 1.30 0.72 0.91 0.00 0.00 26 V 7.60 3.67 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 0.75 0.00 0.00 0.93 0.00 0.00 27 L 8.17 4.32 0.00 1.64 1.59 0.92 0.95 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 28 T 8.49 4.08 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 29 G 8.01 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 0.00 0.00 0.00 0.00 30 S 8.71 4.51 0.00 3.87 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 31 A 9.91 4.53 1.20 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 32 A 8.42 3.81 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 33 A 7.76 4.19 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 34 K 8.44 4.21 0.00 1.89 1.56 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.47 7.81 35 S 5.81 4.73 0.00 3.80 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 36 T 8.24 3.48 3.96 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 0.00 0.00 1.04 0.00 0.00 37 R 7.65 5.07 0.00 1.69 1.82 0.00 3.06 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 38 G 9.10 4.59 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 0.00 39 E 8.85 5.10 0.00 2.09 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 2.24 2.40 0.00 40 V 8.93 4.03 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 0.90 0.00 0.00 1.01 0.00 0.00 41 L 8.83 4.50 0.00 1.64 1.67 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.52 4.65 1.18 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 0.00 0.00 43 V 8.34 4.53 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 0.94 0.00 0.00 44 G 7.66 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.59 4.65 0.00 2.70 2.87 0.00 0.00 6.94 7.65 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 46 G 7.05 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 47 R 9.20 4.72 0.00 1.79 1.89 0.00 3.08 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 48 I 7.88 4.44 1.52 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.28 0.83 0.00 0.00 49 L 7.23 4.49 0.00 1.58 1.51 0.94 1.01 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 50 E 8.34 3.38 0.00 2.22 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 2.26 2.34 0.00 51 N 8.19 3.54 0.00 2.79 3.06 0.00 0.00 7.26 7.98 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 52 G 7.90 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.72 0.00 2.13 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 2.19 2.27 0.00 54 V 8.04 4.14 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 0.91 0.00 0.00 0.89 0.00 0.00 55 K 8.43 4.39 0.00 1.81 1.92 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.53 7.81 56 P 0.00 4.51 0.00 2.09 2.08 0.00 3.77 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 1.98 1.99 0.00 57 L 8.49 4.24 0.00 1.76 1.85 0.91 1.12 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 58 D 9.05 4.71 0.00 2.59 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 59 V 7.87 3.98 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 0.73 0.00 0.00 0.93 0.00 0.00 60 K 7.79 4.54 0.00 1.82 1.87 0.00 1.33 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.52 7.81 61 V 8.05 3.61 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 0.92 0.00 0.00 62 G 8.68 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 63 D 7.54 4.69 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 4.93 1.89 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 1.36 0.59 1.00 0.00 0.00 65 V 9.02 4.60 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 0.74 0.00 0.00 1.09 0.00 0.00 66 I 8.77 5.00 1.98 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 1.25 0.64 0.84 0.00 0.00 67 F 8.35 5.35 0.00 3.04 2.96 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 0.00 0.00 0.00 68 N 8.92 4.41 0.00 2.81 2.87 0.00 0.00 7.11 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 69 D 8.90 4.73 0.00 2.62 2.60 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 70 G 7.71 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 71 Y 8.91 4.40 0.00 2.91 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 72 G 8.07 3.72 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 73 V 7.83 3.77 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 0.60 0.00 0.00 1.01 0.00 0.00 74 K 8.87 4.54 0.00 1.56 1.58 0.00 1.34 0.00 0.00 1.17 0.00 0.00 2.67 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.34 1.34 7.81 75 S 8.65 4.80 0.00 3.90 3.77 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 76 E 8.87 4.65 0.00 1.86 1.76 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 2.22 2.37 0.00 77 K 8.98 4.98 0.00 1.65 1.66 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.27 7.81 78 I 7.99 4.38 1.86 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 1.40 0.42 0.90 0.00 0.00 79 D 9.82 4.52 0.00 2.75 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 80 N 8.40 4.48 0.00 2.87 2.99 0.00 0.00 7.22 7.65 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 81 E 8.11 4.18 0.00 2.25 1.84 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 2.33 2.33 0.00 82 E 8.59 4.57 0.00 1.87 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 2.32 2.30 0.00 83 V 8.80 4.41 2.15 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 0.72 0.00 0.00 0.94 0.00 0.00 84 L 8.77 5.15 0.00 1.36 1.29 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.67 4.89 1.78 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 1.22 0.70 0.83 0.00 0.00 86 M 8.47 5.01 0.00 1.72 1.95 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.44 0.00 87 S 9.07 4.62 0.00 4.01 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 E 9.10 3.89 0.00 1.97 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 2.31 2.30 0.00 89 S 8.49 4.39 0.00 3.89 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 90 D 8.23 4.87 0.00 2.79 2.70 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 0.00 0.00 0.00 0.00 91 I 7.68 4.28 2.04 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 1.38 0.67 0.99 0.00 0.00 92 L 8.68 4.63 0.00 1.57 1.69 0.95 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 93 A 7.19 4.41 1.20 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 94 I 8.36 4.73 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 1.38 0.74 0.98 0.00 0.00 *95 V 8.28 3.90 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.