NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.7210 8.3549 109.7180 45.7379 0.0000 173.6144 6 Y 4.3712 7.7001 115.9139 54.9408 41.0623 174.4954 7 Y 4.4157 9.0354 122.5783 58.6402 39.7025 176.2584 8 E 4.9187 8.8237 121.4702 56.4601 30.1744 178.1699 9 L 3.9762 7.8371 121.5233 59.1910 40.2420 178.4322 10 Y 4.5281 7.7284 115.9143 59.9184 37.6893 177.7666 11 R 4.1184 8.1957 118.8039 58.4561 30.2269 177.9751 12 R 4.3510 7.7704 116.2055 55.8698 30.8466 176.4992 13 S 4.5971 7.8911 114.9352 57.5967 64.5833 175.4339 14 T 3.8856 8.5633 116.7071 66.9162 68.1660 176.7395 15 I 3.8995 7.8936 120.1792 63.7821 38.0916 178.0939 16 G 3.1907 8.3036 106.8525 47.7356 0.0000 175.4765 17 N 4.3149 8.6206 119.6539 56.1312 38.5470 177.7191 18 S 4.1071 8.0002 116.4836 61.3229 62.7907 176.5587 19 L 3.8453 7.6426 122.6319 57.9597 41.7472 178.9984 20 V 3.4879 7.6312 118.1822 66.2978 31.4335 177.7252 21 D 4.3018 8.1861 118.2133 57.1969 40.7174 178.7140 22 A 3.9512 8.0490 121.2466 55.1373 18.4318 179.6794 23 L 3.9316 8.1739 117.8408 58.1254 41.6233 179.4549 24 D 4.3848 8.3907 119.0794 57.6903 40.6861 179.1303 25 T 3.8590 7.9117 116.2374 66.6475 68.4136 176.8111 26 L 4.0355 7.8238 120.4554 57.6367 41.5094 179.6576 27 I 3.9737 7.7890 121.1596 64.1353 36.8806 178.6832 28 S 4.1659 8.1099 114.7340 61.3053 62.6810 175.5596 29 D 4.7328 7.8816 119.0839 53.3996 40.7922 176.5049 30 G 3.9378 8.0568 107.7514 46.8284 0.0000 175.3427 31 R 4.3367 8.3586 121.0279 56.6705 30.8747 176.6758 32 I 4.6811 7.2593 109.3565 58.4593 41.0872 173.6405 33 E 4.5067 8.3115 119.7630 54.6692 32.8110 177.1919 34 A 4.0826 8.4377 122.4202 55.2169 18.2312 180.3104 35 S 4.0945 8.0002 112.7781 61.5406 63.0452 176.3810 36 L 3.9553 7.8796 123.2955 57.6858 41.8877 178.4450 37 A 3.9687 7.9041 120.4144 55.3746 18.2603 179.2912 38 M 3.9765 8.1880 116.6725 58.9098 32.3094 178.7552 39 R 4.2703 7.7161 119.7352 58.6207 30.1351 179.2121 40 V 3.6299 8.0819 118.5249 66.0239 31.4581 178.1782 41 L 4.0835 8.2847 119.0153 57.7784 41.1449 179.3151 42 E 4.2148 8.4743 118.7436 59.7143 29.3246 179.5620 43 T 3.8687 8.0429 115.9772 66.3070 68.4856 176.5382 44 F 4.0657 8.4815 122.7843 61.4765 39.3785 176.6676 45 D 4.3998 8.5105 118.6398 57.4288 40.6139 179.0659 46 K 2.8288 7.4619 119.8363 59.0855 32.0504 179.0557 47 V 3.3819 7.7969 118.9528 65.8552 31.3087 178.1562 48 V 3.1536 7.6182 118.0917 65.6420 31.1195 177.7068 49 A 3.9072 7.4353 120.0657 55.4565 18.2606 179.5732 50 E 3.9471 8.2130 117.0144 59.7003 29.4209 179.7855 51 T 4.0331 8.1055 116.3045 66.5578 68.3092 176.9664 52 L 4.0004 7.8688 120.2182 57.0904 41.5952 179.2209 53 K 4.0966 7.6022 119.2690 59.2684 32.3932 177.9696 54 D 4.7277 8.0592 116.5478 54.7257 41.3134 177.0152 55 N 4.9928 8.2458 116.3257 52.7550 39.1260 174.1928 56 T 4.7971 7.7928 107.3445 59.9438 71.5844 173.4764 57 Q 4.4734 8.4026 117.5425 55.9388 30.6829 175.7131 58 S 4.5424 8.0835 112.5186 58.4862 64.0171 173.8493 59 K 4.6955 9.0604 120.5502 54.7000 35.2042 175.2824 60 L 5.3184 8.6265 123.6040 53.2815 44.8833 175.8253 61 T 4.6432 8.6228 117.5848 61.7309 72.0669 173.0859 62 V 4.7888 8.4449 125.3854 61.0180 34.0673 174.6727 63 K 4.5279 8.9538 126.7404 54.5475 35.9206 176.5482 64 G 3.6443 7.9433 110.4468 46.0290 0.0000 171.0393 65 N 4.7084 7.8038 117.1290 52.2964 40.2708 174.6322 66 L 4.5966 8.4452 125.9832 54.4859 42.1077 175.7126 67 D 4.7036 9.2336 127.9497 57.1788 41.5839 176.2634 68 T 4.9783 7.8369 106.8334 60.5786 72.4775 171.6329 69 Y 5.4990 7.7556 119.4011 56.2671 41.5286 174.0443 70 G 4.1922 8.7298 104.1839 45.6368 0.0000 172.2957 71 F 4.6372 8.2610 123.7622 56.1723 42.5790 173.4678 72 C 4.0351 7.5976 122.0844 59.7305 35.1935 173.0655 73 D 4.4292 9.1355 124.9487 55.9095 37.9825 173.4264 74 D 4.5604 7.4660 111.9870 54.9716 39.3550 173.4770 75 V 4.6684 6.5149 118.3643 60.8344 34.6669 174.1628 76 W 5.0638 9.1547 127.9359 55.4259 31.5660 175.2265 77 T 5.0489 8.7084 120.7094 61.7708 71.4608 173.0961 78 F 5.5219 9.5692 124.2110 55.7954 43.7872 173.9533 79 I 4.9183 9.0885 122.9366 59.7732 39.8454 174.5424 80 V 4.8042 8.9516 128.0864 61.0423 33.8550 174.7335 81 K 4.9429 9.0988 126.7829 54.3929 35.4239 175.4348 82 N 4.1678 8.1312 118.3855 54.7698 36.5385 172.9731 83 C 5.0486 8.1949 113.4651 56.7706 34.0051 174.3121 84 Q 5.0127 9.0270 118.4535 54.0725 31.5850 174.8886 85 V 4.8337 9.4089 124.9555 61.4955 34.1616 174.1460 86 T 4.9667 8.8913 125.3758 62.0038 70.6490 173.6500 87 V 4.7947 8.7774 127.2217 61.0171 33.7596 174.1901 88 E 4.8926 9.1819 127.8452 55.4908 32.4280 176.6504 89 D 4.6318 8.8127 119.1285 53.9106 42.4934 175.9105 *103 Q 4.3252 7.9413 116.1180 55.7748 31.0088 174.4113 104 S 4.7095 7.7459 113.6093 57.1768 64.5703 172.6669 105 V 4.7412 8.4837 127.2279 61.3354 33.2107 174.3800 106 I 4.5858 8.9933 129.3852 59.6621 39.8199 174.8370 107 S 5.2583 8.6329 121.8046 56.8696 65.2186 173.7316 108 V 4.3921 8.6559 123.2525 61.3125 34.3186 175.8672 109 D 4.4326 8.9591 127.6133 57.0160 41.9270 176.3582 110 K 4.9572 7.8087 117.9079 54.8315 35.3846 174.9071 111 L 4.7991 9.2519 129.4397 53.2682 45.1853 174.6891 112 R 5.0371 8.7454 126.4468 54.9660 31.8836 175.0502 113 I 4.6608 9.3125 127.0180 59.4713 40.3780 174.4878 114 V 4.8501 8.6318 126.2987 61.0014 33.7106 174.3265 115 A 4.7642 9.2791 129.8128 50.4063 21.8725 174.5430 116 C 4.6910 8.4155 119.8563 57.7607 30.1914 173.2840 117 N 4.5499 8.2299 120.9933 54.0653 38.2976 175.4609 118 S 4.2734 9.1557 121.0147 60.5265 63.3682 174.1767 119 K 4.3313 8.6109 123.4230 55.2813 31.2683 176.9351 120 K 4.5198 8.2296 124.8507 53.3625 32.7283 174.7313 121 S 4.3780 8.4202 115.7704 58.7419 63.4745 174.2347 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 5 G 8.35 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 6 Y 7.70 4.37 0.00 3.01 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 7 Y 9.04 4.42 0.00 3.07 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 8 E 8.82 4.92 0.00 2.08 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 2.66 2.45 0.00 9 L 7.84 3.98 0.00 1.70 1.75 0.62 -0.17 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 10 Y 7.73 4.53 0.00 3.17 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 11 R 8.20 4.12 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 12 R 7.77 4.35 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 13 S 7.89 4.60 0.00 4.14 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 14 T 8.56 3.89 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 1.23 0.00 0.00 15 I 7.89 3.90 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.43 1.12 0.00 0.00 16 G 8.30 3.19 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 0.00 0.00 0.00 0.00 17 N 8.62 4.31 0.00 2.74 2.87 0.00 0.00 7.08 7.60 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 18 S 8.00 4.11 0.00 4.03 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 19 L 7.64 3.85 0.00 1.59 1.42 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.63 3.49 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 1.06 0.00 0.00 0.84 0.00 0.00 21 D 8.19 4.30 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 3.95 1.36 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 0.00 0.00 23 L 8.17 3.93 0.00 1.81 1.71 0.88 1.06 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 24 D 8.39 4.38 0.00 2.82 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 25 T 7.91 3.86 4.40 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 1.20 0.00 0.00 26 L 7.82 4.04 0.00 1.86 1.71 0.91 0.67 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 27 I 7.79 3.97 2.02 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 1.66 1.60 0.91 0.00 0.00 28 S 8.11 4.17 0.00 3.97 3.93 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 0.00 0.00 0.00 29 D 7.88 4.73 0.00 2.66 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 30 G 8.06 3.94 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 0.00 0.00 0.00 31 R 8.36 4.34 0.00 1.86 1.99 0.00 3.12 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 32 I 7.26 4.68 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 1.41 0.88 0.91 0.00 0.00 33 E 8.31 4.51 0.00 1.99 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 2.32 2.29 0.00 34 A 8.44 4.08 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 35 S 8.00 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 36 L 7.88 3.96 0.00 1.78 1.84 0.93 1.16 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 37 A 7.90 3.97 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 38 M 8.19 3.98 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 39 R 7.72 4.27 0.00 2.02 1.98 0.00 3.20 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 40 V 8.08 3.63 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 41 L 8.28 4.08 0.00 1.88 1.75 0.90 1.06 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 42 E 8.47 4.21 0.00 2.23 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 2.39 2.56 0.00 43 T 8.04 3.87 4.43 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 1.20 0.00 0.00 44 F 8.48 4.07 0.00 3.14 3.28 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 45 D 8.51 4.40 0.00 2.96 2.99 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 46 K 7.46 2.83 0.00 0.84 1.57 0.00 1.43 0.00 0.00 1.39 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 0.50 7.81 47 V 7.80 3.38 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 0.92 0.00 0.00 0.88 0.00 0.00 48 V 7.62 3.15 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 0.20 0.00 0.00 -0.25 0.00 0.00 49 A 7.44 3.91 1.52 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 0.00 0.00 50 E 8.21 3.95 0.00 1.93 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 2.34 2.49 0.00 51 T 8.11 4.03 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 1.19 0.00 0.00 52 L 7.87 4.00 0.00 1.47 1.65 0.40 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.60 4.10 0.00 1.80 1.97 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 54 D 8.06 4.73 0.00 2.73 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 55 N 8.25 4.99 0.00 2.75 2.76 0.00 0.00 6.75 7.08 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 56 T 7.79 4.80 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 57 Q 8.40 4.47 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 58 S 8.08 4.54 0.00 4.00 3.92 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 59 K 9.06 4.70 0.00 1.67 1.70 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.52 7.81 60 L 8.63 5.32 0.00 1.50 1.55 0.93 0.88 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 61 T 8.62 4.64 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 1.18 0.00 0.00 62 V 8.44 4.79 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 0.80 0.00 0.00 0.92 0.00 0.00 63 K 8.95 4.53 0.00 1.69 1.60 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.33 7.81 64 G 7.94 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 65 N 7.80 4.71 0.00 2.73 2.76 0.00 0.00 7.06 6.89 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 66 L 8.45 4.60 0.00 1.65 1.67 1.14 1.38 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 67 D 9.23 4.70 0.00 2.74 2.82 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 68 T 7.84 4.98 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 1.21 0.00 0.00 69 Y 7.76 5.50 0.00 3.34 3.33 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 70 G 8.73 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 0.00 0.00 0.00 0.00 71 F 8.26 4.64 0.00 1.51 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 0.00 0.00 0.00 0.00 72 C 7.60 4.04 0.00 2.73 2.39 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 73 D 9.14 4.43 0.00 2.61 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 74 D 7.47 4.56 0.00 2.88 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 75 V 6.51 4.67 1.87 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 0.86 0.00 0.00 0.74 0.00 0.00 76 W 9.15 5.06 0.00 3.34 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.71 5.05 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 1.24 0.00 0.00 78 F 9.57 5.52 0.00 2.94 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 79 I 9.09 4.92 1.95 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 1.17 1.14 0.96 0.00 0.00 80 V 8.95 4.80 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 1.06 0.00 0.00 0.95 0.00 0.00 81 K 9.10 4.94 0.00 1.71 1.68 0.00 2.02 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.41 7.81 82 N 8.13 4.17 0.00 2.78 2.81 0.00 0.00 6.80 8.38 0.00 0.00 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 C 8.19 5.05 0.00 3.08 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 84 Q 9.03 5.01 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 85 V 9.41 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 0.94 0.00 0.00 86 T 8.89 4.97 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 87 V 8.78 4.79 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 0.99 0.00 0.00 0.94 0.00 0.00 88 E 9.18 4.89 0.00 2.04 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 2.35 2.23 0.00 89 D 8.81 4.63 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.33 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 104 S 7.75 4.71 0.00 4.04 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 0.00 105 V 8.48 4.74 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 0.87 0.00 0.00 0.93 0.00 0.00 106 I 8.99 4.59 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 1.07 0.92 0.00 0.00 107 S 8.63 5.26 0.00 3.73 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 0.00 108 V 8.66 4.39 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 1.03 0.00 0.00 0.94 0.00 0.00 109 D 8.96 4.43 0.00 2.65 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 0.00 110 K 7.81 4.96 0.00 1.72 1.64 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.46 7.81 111 L 9.25 4.80 0.00 1.76 1.48 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.75 5.04 0.00 1.89 1.84 0.00 3.24 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 113 I 9.31 4.66 2.22 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 1.20 0.62 1.10 0.00 0.00 114 V 8.63 4.85 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 0.71 0.00 0.00 0.92 0.00 0.00 115 A 9.28 4.76 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 0.00 116 C 8.42 4.69 0.00 2.05 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 0.00 117 N 8.23 4.55 0.00 2.87 3.01 0.00 0.00 7.17 8.63 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 0.00 118 S 9.16 4.27 0.00 4.11 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 0.00 119 K 8.61 4.33 0.00 1.95 1.88 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.43 7.81 120 K 8.23 4.52 0.00 1.78 1.59 0.00 1.64 0.00 0.00 2.36 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 0.99 7.81 121 S 8.42 4.38 0.00 3.83 3.75 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 * Residues marked with a * may have inaccurate shift predictions.