NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.6775 8.3649 119.5548 52.8760 41.5904 174.4895 11 L 4.6703 8.1996 122.1625 51.2992 44.8511 175.3733 12 S 4.4944 8.4365 116.0692 57.4669 65.7368 174.8211 13 R 3.9032 8.4454 124.7866 59.5077 29.7272 178.5079 14 D 4.3026 7.9862 118.2353 57.3710 40.9209 178.0445 15 E 3.9290 8.1583 119.2467 59.5387 29.5964 178.3215 16 C 4.0918 8.2318 116.7335 62.7686 28.1191 176.0315 17 K 3.9434 8.0104 121.0755 59.6471 31.7102 179.1331 18 R 3.9310 7.9596 118.3574 59.1644 29.9028 179.1124 19 I 3.6861 8.1579 120.1169 64.2136 37.0820 178.0839 20 L 3.9322 8.2876 121.6267 58.1576 41.8195 178.9730 21 R 4.0263 8.1088 118.6410 59.3572 29.9668 178.1864 22 K 3.8651 8.2000 119.4640 59.7040 32.1178 178.6053 23 L 4.0069 8.2934 119.4269 57.7576 41.5511 179.3670 24 E 3.9884 8.3769 118.5310 59.4478 29.4728 179.4605 25 L 4.0376 8.1075 118.9701 57.9652 41.7034 179.4653 26 E 4.0050 8.6099 118.6611 59.2653 29.2300 179.2968 27 A 4.0155 8.2615 120.9365 55.3694 18.4744 179.1222 28 Y 3.9984 8.1316 117.7722 60.6338 38.8291 177.8490 29 A 4.0633 8.3487 121.9244 55.2659 18.5405 179.8286 30 G 3.5915 8.5018 104.6021 47.8400 0.0000 176.1325 31 V 3.5617 7.4859 120.5206 65.7500 31.5343 178.0294 32 I 3.6083 7.4845 119.5709 64.5202 36.9394 178.3959 33 S 3.8938 8.2380 115.7944 61.5030 62.4816 176.5172 34 A 3.9343 7.5873 121.7010 55.3513 18.4482 179.3165 35 L 4.4482 8.2582 119.0754 57.4854 41.6088 179.7193 36 R 3.6934 8.0953 118.5038 59.3733 29.7591 178.4519 37 A 4.1764 7.9626 120.1607 54.8887 18.1365 179.5623 38 Q 4.1324 8.1883 117.2344 58.5862 29.0139 176.5645 39 G 4.1172 7.2317 106.1489 45.6469 0.0000 171.5575 40 D 4.9235 8.1366 120.8951 52.8590 42.0942 176.5640 41 L 3.4623 7.0666 125.6152 54.7563 42.2650 177.5459 42 T 4.2968 7.9440 116.8563 60.3526 71.8439 175.5864 43 K 3.8383 8.2613 121.2196 59.4557 32.2521 178.1237 44 E 3.9173 8.0744 119.1816 59.3581 29.6229 178.8937 45 K 4.0236 8.1261 118.5877 58.9834 32.0657 179.3936 46 K 3.8589 8.1543 120.3638 59.6680 32.2542 178.5595 47 D 4.4659 8.1081 119.1494 57.2773 40.6029 178.6794 48 L 3.9626 7.8005 120.2781 58.2607 42.1431 179.1008 49 L 4.2692 8.0692 119.0614 57.7102 41.3780 179.7958 50 G 3.8714 8.1963 107.2448 46.6060 0.0000 175.4959 51 E 3.9591 8.2020 121.6281 58.7742 29.6061 178.4309 52 L 4.0408 8.3544 121.1056 58.4142 41.9590 179.2004 53 S 3.9396 8.6743 113.7601 60.3755 62.7707 176.2860 54 K 3.9212 7.6515 124.3123 59.6107 31.9024 178.8986 55 V 3.5890 7.7156 117.5840 65.4400 31.5604 176.5344 56 L 4.4012 8.2238 117.2696 53.6487 42.1049 176.8309 57 S 3.6041 7.3827 113.3582 59.4845 60.3617 171.3313 58 I 4.1988 8.1408 120.1261 59.1606 38.8822 177.3919 59 S 4.3634 8.2836 120.8826 58.1369 65.1215 175.2466 60 T 3.9287 8.3356 113.2404 65.0018 68.4955 176.4651 61 E 3.9859 8.1148 121.0326 59.0518 29.4938 178.9688 62 R 3.8738 8.1204 118.7880 59.6655 30.1713 177.7535 63 H 4.3534 8.1931 117.9387 59.6442 29.8239 177.1868 64 R 3.9157 8.1847 119.2525 59.1907 29.8605 178.8135 65 A 3.9839 8.0584 120.3577 55.3284 18.4105 179.4681 66 E 3.8972 8.3838 117.0603 59.5244 29.5063 179.8419 67 V 3.4368 7.9109 118.0924 66.0818 31.7231 178.0819 68 R 3.8732 8.3681 118.1889 59.2775 29.6909 178.9198 69 R 3.7925 8.0587 117.1587 59.3499 30.3870 178.1140 70 A 3.9465 8.2151 120.9727 55.1739 18.2102 180.0741 71 V 3.4164 8.0420 116.3027 64.1255 31.3240 177.1843 72 N 4.8822 7.4805 114.3879 51.9327 38.9953 174.3686 73 D 4.5785 7.5955 122.0442 53.0496 42.1818 176.5034 74 E 3.9301 8.7367 127.2739 59.7716 29.6080 179.2819 75 R 3.8631 7.9800 117.2888 59.2800 30.2454 178.6273 76 L 3.9113 8.5282 118.7640 58.4161 41.6262 180.0314 77 T 3.7419 7.8936 115.2445 66.8355 68.3736 176.7801 78 T 3.8091 7.9856 117.7274 66.7097 68.4315 176.5894 79 I 3.6665 7.8159 121.2843 64.3642 37.1451 178.2577 80 A 4.3921 7.8989 122.7834 54.9273 18.0923 179.4453 81 H 4.4934 8.2980 116.1058 58.6766 28.6278 177.4500 82 N 4.2820 8.0472 117.3725 57.1419 38.7825 176.3532 83 M 4.3881 8.3919 119.6654 57.5383 32.1844 177.9343 84 S 4.4903 8.5938 110.0450 58.5005 64.5747 174.4565 85 G 4.0260 8.6062 108.0080 45.0469 0.0000 173.2384 86 P 4.2219 0.0000 0.0000 63.7449 31.8336 176.8675 87 N 5.0890 7.8244 115.0298 52.0136 38.0891 174.2535 88 S 4.9297 7.9309 111.9418 58.3820 64.3267 176.2326 89 S 4.9065 7.9260 115.7167 57.6743 64.9498 176.0404 90 S 4.1274 8.3279 116.6861 62.4001 62.5090 176.4999 91 E 3.9639 8.9365 120.6765 59.2208 29.2142 179.6223 92 W 4.3562 8.2299 118.6624 59.7944 28.8219 178.7981 93 S 4.2417 8.7125 114.9425 61.6142 62.4907 176.4747 94 I 3.9139 7.6928 122.3405 64.4370 36.8653 178.2550 95 E 4.1645 8.4672 119.6070 59.4039 29.0941 179.4445 96 G 3.8735 8.0953 104.2139 46.4678 0.0000 174.8254 97 R 4.5686 7.7130 119.1246 54.9202 31.0425 176.0359 98 R 4.1480 7.4807 119.9407 56.4497 30.6144 176.2919 99 L 4.6891 8.4082 122.0333 54.8046 44.4028 177.3045 100 V 4.2315 7.5181 110.3158 58.8667 33.0537 173.9810 101 P 4.2510 0.0000 0.0000 62.9058 31.7149 176.4928 102 L 4.0173 8.4373 124.6271 56.9468 43.1093 177.6282 103 M 3.2912 8.3198 119.2139 55.6050 29.1181 176.3035 104 P 4.9562 0.0000 0.0000 62.0895 31.6425 172.5117 *105 R 4.2136 7.7455 122.0603 56.4839 30.0134 177.1943 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 10 D 8.36 4.68 0.00 2.71 2.53 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 11 L 8.20 4.67 0.00 1.66 1.56 0.92 0.67 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 12 S 8.44 4.49 0.00 3.88 3.71 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 13 R 8.45 3.90 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 14 D 7.99 4.30 0.00 2.73 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 15 E 8.16 3.93 0.00 2.03 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 0.00 2.38 2.41 0.00 16 C 8.23 4.09 0.00 3.20 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 17 K 8.01 3.94 0.00 1.92 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 18 R 7.96 3.93 0.00 2.07 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 19 I 8.16 3.69 2.01 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 0.89 0.91 0.00 0.00 20 L 8.29 3.93 0.00 1.76 1.92 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.11 4.03 0.00 2.06 2.04 0.00 3.32 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 22 K 8.20 3.87 0.00 1.93 2.03 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 23 L 8.29 4.01 0.00 1.88 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.38 3.99 0.00 2.19 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 0.00 2.34 2.66 0.00 25 L 8.11 4.04 0.00 1.84 1.75 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.61 4.01 0.00 2.01 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 2.35 2.60 0.00 27 A 8.26 4.02 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.13 4.00 0.00 3.13 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 29 A 8.35 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 3.59 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 31 V 7.49 3.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 32 I 7.48 3.61 1.85 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 1.08 0.52 0.66 0.00 0.00 33 S 8.24 3.89 0.00 3.91 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 34 A 7.59 3.93 1.37 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 35 L 8.26 4.45 0.00 2.01 2.09 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.10 3.69 0.00 1.07 1.63 0.00 3.03 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 37 A 7.96 4.18 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 Q 8.19 4.13 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 39 G 7.23 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 40 D 8.14 4.92 0.00 2.68 2.54 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 41 L 7.07 3.46 0.00 0.27 0.64 0.40 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.94 4.30 4.18 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 1.16 0.00 0.00 43 K 8.26 3.84 0.00 1.84 1.80 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 44 E 8.07 3.92 0.00 2.05 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 2.37 2.39 0.00 45 K 8.13 4.02 0.00 1.95 1.75 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 46 K 8.15 3.86 0.00 1.79 1.87 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 47 D 8.11 4.47 0.00 2.87 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 48 L 7.80 3.96 0.00 1.78 1.87 0.95 0.65 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 49 L 8.07 4.27 0.00 2.01 1.94 1.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.20 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 51 E 8.20 3.96 0.00 2.14 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 0.00 2.32 2.38 0.00 52 L 8.35 4.04 0.00 2.18 2.07 1.01 0.89 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 53 S 8.67 3.94 0.00 4.01 3.71 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 54 K 7.65 3.92 0.00 1.79 2.03 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.43 7.81 55 V 7.72 3.59 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 0.83 0.00 0.00 0.99 0.00 0.00 56 L 8.22 4.40 0.00 1.70 1.68 1.09 1.02 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 57 S 7.38 3.60 0.00 3.94 3.81 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 58 I 8.14 4.20 1.36 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.08 0.41 0.00 0.00 59 S 8.28 4.36 0.00 4.02 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 0.00 60 T 8.34 3.93 4.26 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 1.20 0.00 0.00 61 E 8.11 3.99 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 2.40 2.44 0.00 62 R 8.12 3.87 0.00 1.90 2.05 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 63 H 8.19 4.35 0.00 3.31 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.18 3.92 0.00 2.11 2.00 0.00 3.53 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 65 A 8.06 3.98 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 66 E 8.38 3.90 0.00 2.26 2.04 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 2.64 2.71 0.00 67 V 7.91 3.44 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 1.31 0.00 0.00 1.03 0.00 0.00 68 R 8.37 3.87 0.00 1.98 1.97 0.00 3.20 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 1.64 1.79 0.00 69 R 8.06 3.79 0.00 1.75 2.16 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 70 A 8.22 3.95 0.97 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 71 V 8.04 3.42 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 0.85 0.00 0.00 0.97 0.00 0.00 72 N 7.48 4.88 0.00 2.82 2.84 0.00 0.00 6.91 8.22 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 73 D 7.60 4.58 0.00 2.78 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 74 E 8.74 3.93 0.00 2.02 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 2.38 2.39 0.00 75 R 7.98 3.86 0.00 2.07 1.93 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 76 L 8.53 3.91 0.00 1.52 1.58 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.89 3.74 4.30 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 1.04 0.00 0.00 78 T 7.99 3.81 4.36 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 1.21 0.00 0.00 79 I 7.82 3.67 1.98 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 1.68 0.86 0.94 0.00 0.00 80 A 7.90 4.39 1.44 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 0.00 0.00 81 H 8.30 4.49 0.00 3.30 3.34 0.00 5.64 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 82 N 8.05 4.28 0.00 2.73 3.04 0.00 0.00 7.36 7.23 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 83 M 8.39 4.39 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.82 0.00 84 S 8.59 4.49 0.00 3.90 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 85 G 8.61 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 0.00 0.00 0.00 86 P 0.00 4.22 0.00 2.01 2.00 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 87 N 7.82 5.09 0.00 2.66 2.75 0.00 0.00 6.83 7.57 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 88 S 7.93 4.93 0.00 3.97 4.02 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 89 S 7.93 4.91 0.00 3.91 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 90 S 8.33 4.13 0.00 4.03 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 91 E 8.94 3.96 0.00 1.96 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 0.00 2.42 2.50 0.00 92 W 8.23 4.36 0.00 3.54 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 93 S 8.71 4.24 0.00 4.08 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 94 I 7.69 3.91 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 1.54 0.96 0.92 0.00 0.00 95 E 8.47 4.16 0.00 2.37 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 0.00 2.42 2.48 0.00 96 G 8.10 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 97 R 7.71 4.57 0.00 1.92 1.95 0.00 3.19 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 98 R 7.48 4.15 0.00 1.87 2.04 0.00 3.31 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 99 L 8.41 4.69 0.00 1.63 1.65 0.93 0.93 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 0.00 100 V 7.52 4.23 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 0.72 0.00 0.00 0.94 0.00 0.00 101 P 0.00 4.25 0.00 2.02 1.99 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 102 L 8.44 4.02 0.00 1.52 1.65 0.84 1.01 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 0.00 103 M 8.32 3.29 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 104 P 0.00 4.96 0.00 2.03 1.80 0.00 3.77 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 1.82 1.54 0.00 *105 R 7.75 4.21 0.00 1.57 1.77 0.00 3.20 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.