NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3828 0.0000 0.0000 62.5750 32.6436 174.9956 2 Q 4.4020 8.4806 119.8641 53.7371 31.1281 173.1429 3 I 4.4364 8.1108 126.0479 59.5716 40.1860 175.3074 4 T 4.2521 8.3983 115.6758 61.3121 69.8445 174.1350 5 L 4.6754 7.6709 118.4656 54.2863 42.2939 177.9582 6 W 4.4766 8.1397 121.3663 58.9361 29.1071 176.1675 7 K 4.7762 7.7266 114.8247 53.6967 34.9849 175.8322 8 R 3.9895 8.4782 119.4434 56.5385 30.7411 176.4135 9 P 4.6570 0.0000 0.0000 61.9936 29.8326 173.8607 10 L 4.9411 7.6972 123.7851 54.7893 43.2023 176.9274 11 V 4.6267 8.8213 116.2844 59.6662 36.6364 174.6711 12 T 4.9547 8.7212 118.9165 62.7079 69.2587 174.3539 13 I 4.8557 9.0957 119.1560 59.0002 41.7715 174.1179 14 R 5.1693 8.9603 122.9913 54.5929 33.0909 174.0323 15 I 4.5609 8.5985 126.3406 59.9314 41.6778 175.1745 16 G 3.7422 9.6282 116.9882 46.6007 0.0000 174.6244 17 G 3.9536 8.5107 106.4313 45.0394 0.0000 173.9072 18 Q 4.7843 7.5698 118.0536 53.8151 32.4909 174.6611 19 L 4.9345 8.3775 121.4366 54.3403 42.9948 176.2735 20 K 4.7434 8.8844 121.1365 54.9211 37.4889 174.8123 21 E 5.1291 8.6503 120.4293 55.2389 31.7156 175.1551 22 A 4.9585 8.9659 124.2957 50.2735 23.5687 174.5924 23 L 4.7243 9.0077 122.8915 54.0424 43.6925 175.7691 24 L 4.4993 8.6661 127.4880 54.6021 42.3131 176.3978 25 D 4.8442 9.0129 125.4717 52.2052 42.3652 176.4385 26 T 3.9630 8.6906 116.4555 63.7885 69.0542 175.6515 27 G 3.7901 8.2494 109.7034 45.6187 0.0000 172.7891 28 A 4.6575 7.8267 123.1137 50.0671 20.7412 177.9258 29 D 4.4102 8.9297 122.7801 56.6793 42.2310 175.8784 30 D 5.2592 8.0348 116.0862 52.6973 45.6083 174.8567 31 T 4.7543 7.9115 114.9410 62.0366 70.9370 174.1573 32 V 4.8510 8.7604 126.1798 61.1952 34.5579 174.0489 33 I 4.8828 8.9957 129.2039 59.5418 39.9213 175.0249 34 E 4.8520 9.5274 128.2688 55.0691 31.4673 173.9972 35 E 4.5267 8.1407 122.2053 54.2758 33.3856 174.5480 *37 N 4.6376 8.5368 117.7392 52.5058 40.1212 174.6791 38 L 3.9187 7.7625 120.2576 54.4410 42.4907 175.1148 39 P 4.6888 0.0000 0.0000 62.7092 33.1873 176.1333 40 G 4.1422 8.5373 104.0032 44.0341 0.0000 174.6511 *42 W 4.7462 8.4004 123.0266 55.9130 29.3680 174.2767 43 K 4.7347 8.6525 118.7713 54.0735 35.4628 174.0177 44 P 5.0663 0.0000 0.0000 63.3779 32.0138 175.8649 45 K 4.3059 8.7175 124.4283 55.6359 36.4444 174.8559 *47 I 4.2728 8.4674 110.6692 60.7681 38.6346 174.7202 48 G 3.3709 7.5890 109.3101 43.4685 0.0000 172.4556 49 G 3.8543 7.6396 106.2253 45.5958 0.0000 173.0222 50 I 3.9048 8.4006 123.8486 62.8742 37.5285 176.4867 51 G 3.8942 8.3555 113.3303 44.5436 0.0000 172.5067 52 G 3.9765 7.7117 104.6095 44.1711 0.0000 172.8210 53 F 5.2584 8.7951 118.9539 55.6741 41.5863 174.5402 54 I 4.8361 8.3006 116.0362 58.9808 40.7199 174.9172 55 K 4.6073 8.6037 122.5145 56.3172 33.0262 176.6748 56 V 4.6688 8.9206 116.7776 59.8178 36.9473 174.2841 57 R 4.8063 8.7111 121.4008 54.8002 32.0311 175.3813 58 Q 4.9198 9.3054 126.4925 55.1818 30.6384 173.6404 59 Y 5.0930 9.1676 124.8524 56.4950 40.4670 174.7721 60 D 5.1447 8.8640 122.6589 52.6170 43.8004 175.7538 61 Q 3.3898 8.3462 116.7775 57.2002 26.4844 174.3335 62 I 4.4035 7.9108 118.5174 59.1534 39.2416 175.2805 63 P 4.8630 0.0000 0.0000 62.7025 32.2793 176.1533 64 V 4.5286 8.7875 123.6330 61.2874 34.9237 173.3889 65 E 4.9966 9.0847 129.5965 54.4120 31.5620 176.3640 66 I 4.3057 8.7896 128.7610 61.2806 38.0748 177.2662 *68 G 3.8570 8.1700 107.7329 42.9926 0.0000 172.8912 69 H 4.7354 8.3796 119.0041 53.8388 29.9704 174.3482 70 K 4.6331 8.5286 124.1914 56.2718 32.9110 176.0867 71 A 4.9438 8.8280 124.5139 50.7021 23.4975 174.7126 72 I 4.6892 8.7296 119.0958 60.1632 41.3530 174.8787 73 G 3.9967 8.1728 116.1261 46.1879 0.0000 171.3801 74 T 4.6137 8.6442 116.9977 63.6249 69.2842 174.4593 75 V 4.4802 8.9272 125.7130 61.0680 34.9738 173.9034 76 L 5.1512 9.0236 128.0415 53.2656 43.9005 175.4217 77 V 5.2672 7.9811 124.0013 60.5527 34.0092 174.9094 78 G 4.1442 8.0305 113.3152 45.0792 0.0000 170.4375 79 P 4.7321 0.0000 0.0000 62.8681 31.4719 176.0598 80 T 4.6758 8.3907 119.0969 59.2448 70.5062 172.2411 81 P 4.4445 0.0000 0.0000 64.8892 31.7956 176.8900 82 V 4.4919 7.2998 117.4659 59.4756 34.5645 174.5552 83 N 4.6815 8.7054 120.1867 53.5626 39.9454 173.7955 84 I 4.8668 9.0181 123.9785 59.5983 40.6153 174.5659 85 I 4.3676 8.9876 129.4231 60.3876 38.4984 175.7485 86 G 4.6947 8.2952 116.2343 43.8454 0.0000 173.8507 87 R 4.0877 8.9288 118.4593 58.8749 30.2630 179.0564 88 N 4.3473 7.8376 115.3049 55.3785 37.5729 176.3787 89 L 4.4216 7.7700 117.4923 56.1006 42.3634 178.5606 90 L 4.0269 8.0793 119.4842 58.0100 41.5960 179.6135 91 T 3.8889 8.0142 109.7374 64.9376 68.4157 176.5738 92 Q 4.1469 7.8897 119.7798 57.5817 28.7628 177.3959 93 I 4.5323 7.2508 112.2077 59.1444 38.1003 171.9412 94 G 3.5763 7.5061 116.4966 45.4480 0.0000 173.5347 *96 T 4.1175 8.0140 114.6788 60.9192 69.9129 173.3366 97 L 4.6297 8.1909 121.9033 53.6870 43.1050 176.2297 98 N 5.0618 8.4574 119.1206 51.6696 42.4610 174.4892 99 F 4.4657 8.2832 116.4009 57.4544 37.4399 173.8361 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 4.38 0.00 2.20 2.14 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 2 Q 8.48 4.40 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 3 I 8.11 4.44 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 1.48 0.79 0.92 0.00 0.00 4 T 8.40 4.25 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 1.28 0.00 0.00 5 L 7.67 4.68 0.00 1.38 1.54 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.14 4.48 0.00 3.26 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 7 K 7.73 4.78 0.00 1.76 1.73 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.49 7.81 8 R 8.48 3.99 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 P 0.00 4.66 0.00 2.11 2.20 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 10 L 7.70 4.94 0.00 1.56 1.64 0.92 0.97 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 11 V 8.82 4.63 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 0.77 0.00 0.00 0.93 0.00 0.00 12 T 8.72 4.95 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 13 I 9.10 4.86 1.92 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 1.26 0.93 0.91 0.00 0.00 14 R 8.96 5.17 0.00 1.83 1.77 0.00 3.05 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 15 I 8.60 4.56 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.18 0.87 0.00 0.00 16 G 9.63 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 17 G 8.51 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 18 Q 7.57 4.78 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 19 L 8.38 4.93 0.00 1.52 1.58 0.92 0.86 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 20 K 8.88 4.74 0.00 1.64 1.61 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.38 7.81 21 E 8.65 5.13 0.00 1.88 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 2.32 2.24 0.00 22 A 8.97 4.96 1.17 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 23 L 9.01 4.72 0.00 1.72 1.65 0.91 0.68 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 24 L 8.67 4.50 0.00 1.56 1.60 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.01 4.84 0.00 2.66 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 26 T 8.69 3.96 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 1.20 0.00 0.00 27 G 8.25 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 0.00 0.00 0.00 28 A 7.83 4.66 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 29 D 8.93 4.41 0.00 2.62 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 30 D 8.03 5.26 0.00 2.56 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 31 T 7.91 4.75 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 1.29 0.00 0.00 32 V 8.76 4.85 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 0.85 0.00 0.00 0.92 0.00 0.00 33 I 9.00 4.88 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.92 0.00 0.00 34 E 9.53 4.85 0.00 1.89 1.81 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 2.22 2.34 0.00 35 E 8.14 4.53 0.00 1.89 1.66 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 0.00 2.02 2.22 0.00 *37 N 8.54 4.64 0.00 2.76 2.85 0.00 0.00 6.86 7.85 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 38 L 7.76 3.92 0.00 1.22 1.20 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.69 0.00 2.28 2.09 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 40 G 8.54 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 0.00 0.00 0.00 *42 W 8.40 4.75 0.00 2.94 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 0.00 0.00 0.00 43 K 8.65 4.73 0.00 1.81 1.82 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.32 1.39 7.81 44 P 0.00 5.07 0.00 2.20 2.33 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 45 K 8.72 4.31 0.00 1.89 1.61 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.44 7.81 *47 I 8.47 4.27 1.85 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 1.38 0.54 0.95 0.00 0.00 48 G 7.59 3.37 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 0.00 0.00 0.00 0.00 49 G 7.64 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 50 I 8.40 3.90 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.89 0.00 0.00 51 G 8.36 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 52 G 7.71 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 0.00 0.00 0.00 53 F 8.80 5.26 0.00 2.95 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 54 I 8.30 4.84 1.89 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 1.23 0.68 0.92 0.00 0.00 55 K 8.60 4.61 0.00 1.68 1.80 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 56 V 8.92 4.67 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 1.02 0.00 0.00 57 R 8.71 4.81 0.00 1.45 0.98 0.00 2.42 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 58 Q 9.31 4.92 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 Y 9.17 5.09 0.00 3.11 2.88 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 60 D 8.86 5.14 0.00 2.59 2.61 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 0.00 0.00 0.00 0.00 61 Q 8.35 3.39 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 62 I 7.91 4.40 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 0.87 0.00 0.00 63 P 0.00 4.86 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 8.79 4.53 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 0.93 0.00 0.00 0.98 0.00 0.00 65 E 9.08 5.00 0.00 2.09 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 2.28 0.00 66 I 8.79 4.31 1.88 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 1.23 0.68 0.91 0.00 0.00 *68 G 8.17 3.86 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 0.00 0.00 0.00 69 H 8.38 4.74 0.00 3.32 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.53 4.63 0.00 1.65 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 71 A 8.83 4.94 1.26 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 0.00 0.00 0.00 72 I 8.73 4.69 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.92 0.00 0.00 73 G 8.17 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 74 T 8.64 4.61 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 1.33 0.00 0.00 75 V 8.93 4.48 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 1.05 0.00 0.00 0.94 0.00 0.00 76 L 9.02 5.15 0.00 1.70 1.59 0.95 0.55 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 77 V 7.98 5.27 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 0.85 0.00 0.00 0.85 0.00 0.00 78 G 8.03 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 0.00 0.00 0.00 79 P 0.00 4.73 0.00 2.08 2.09 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 80 T 8.39 4.68 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 1.27 0.00 0.00 81 P 0.00 4.44 0.00 2.20 2.16 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 82 V 7.30 4.49 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 0.71 0.00 0.00 0.92 0.00 0.00 83 N 8.71 4.68 0.00 2.82 2.76 0.00 0.00 6.88 7.80 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 84 I 9.02 4.87 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.94 0.00 0.00 85 I 8.99 4.37 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 1.15 0.90 0.91 0.00 0.00 86 G 8.30 4.69 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 0.00 87 R 8.93 4.09 0.00 1.86 2.00 0.00 3.15 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 88 N 7.84 4.35 0.00 2.79 2.98 0.00 0.00 6.92 7.69 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 89 L 7.77 4.42 0.00 1.70 1.74 0.93 0.68 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 90 L 8.08 4.03 0.00 1.68 1.72 0.91 0.44 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 91 T 8.01 3.89 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 1.23 0.00 0.00 92 Q 7.89 4.15 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 93 I 7.25 4.53 1.82 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 1.56 0.55 0.98 0.00 0.00 94 G 7.51 3.58 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 0.00 0.00 0.00 *96 T 8.01 4.12 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 1.20 0.00 0.00 97 L 8.19 4.63 0.00 1.73 1.76 0.96 0.95 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 98 N 8.46 5.06 0.00 2.66 2.66 0.00 0.00 6.81 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 99 F 8.28 4.47 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.