NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0104 8.0549 120.3895 62.7958 32.6606 174.5438 13 D 5.1300 8.3596 125.7366 51.1790 43.4352 174.0174 14 K 4.5853 8.7137 118.2810 55.6854 37.0137 174.7320 15 N 4.9432 8.7197 121.1658 52.4835 39.2170 173.9888 16 C 4.6455 8.5010 124.9490 60.0933 28.9445 175.6796 17 I 3.9246 8.7808 124.7524 63.9314 36.9880 178.0268 18 G 3.6773 8.1395 106.6272 47.4501 0.0000 175.4824 19 W 4.1801 8.3332 130.2608 60.0891 30.8654 177.8512 20 A 4.0840 8.7400 121.0847 55.2166 17.4064 179.7789 21 K 4.0834 8.1188 116.5291 59.5728 32.1581 179.2742 22 E 4.0703 7.9331 118.0892 58.8154 29.5211 178.2895 23 Y 3.4760 7.5753 119.7649 60.6084 38.6649 178.2859 24 F 4.3571 8.1839 118.4222 60.1250 38.9143 178.0224 25 K 4.0934 7.7863 118.1001 59.0092 31.5896 178.8136 26 Q 4.1002 7.5615 115.9553 57.9398 29.1403 177.8516 27 K 3.9422 7.6121 119.9035 58.4543 32.4686 178.6825 28 I 4.0679 8.0542 120.2057 62.2400 37.7469 176.4941 29 V 3.8830 6.7749 118.9329 64.4563 31.6404 175.7911 30 G 3.9943 9.2858 116.5182 45.2655 0.0000 174.1897 31 V 3.6788 7.3477 119.5311 63.1894 32.0073 174.5264 32 E 4.8375 8.2442 121.5535 55.0082 34.3241 176.4282 33 A 4.1758 8.9665 122.9977 52.4115 18.7836 178.3953 *39 K 4.1906 9.1178 119.5934 56.3068 34.2451 174.1653 40 K 4.8347 7.6380 116.7741 55.5008 33.4193 174.7825 41 Y 4.8046 9.1947 123.9442 57.6700 43.1480 172.0002 42 A 4.5779 7.2727 123.2232 51.2225 23.3550 175.1569 43 K 4.6545 8.4269 117.3606 55.7196 36.6808 175.2476 44 I 3.7099 9.0403 124.0612 61.3615 37.3750 175.9125 45 K 4.3650 9.3029 132.3626 57.4397 31.7822 177.7300 46 S 4.7614 7.7728 111.6005 56.6639 67.8255 172.4735 47 V 4.5927 8.2394 119.7455 61.0556 31.3071 175.2005 48 S 4.4837 8.7173 122.6494 60.1409 63.7327 174.6296 49 S 4.7046 7.6226 112.6206 58.0121 65.3406 175.9178 50 I 4.9914 8.3986 122.3979 60.3338 40.5611 174.0129 51 E 4.6329 9.5471 126.3146 54.8745 33.9321 174.0197 52 G 3.8235 8.5481 104.7628 44.0389 0.0000 172.6913 53 D 5.0476 8.6165 118.8461 52.1669 43.5965 175.5820 54 C 4.9602 8.5075 120.3667 59.1549 33.3363 172.0920 55 E 5.1626 8.7709 124.2004 54.2573 33.9093 175.6735 56 V 4.3856 8.5818 120.8100 61.6152 34.0294 174.3253 57 N 5.3304 8.8685 125.3967 51.8105 41.9970 174.5105 58 Q 4.5218 9.4298 120.6550 55.2268 29.5297 176.4404 59 R 4.3630 9.0490 124.0427 55.3806 32.7863 176.2232 *61 G 3.8255 8.3985 110.2824 44.7245 0.0000 170.3212 62 K 4.4368 7.6415 117.7139 55.4808 36.3126 175.6869 63 V 5.2323 8.1683 116.1006 61.2099 31.5661 175.2328 64 I 3.7387 7.2937 113.5755 61.5156 37.9578 174.7036 65 S 4.7437 7.8338 110.6702 57.8825 64.9653 175.3846 66 L 3.8196 8.1850 130.1227 53.2365 42.1708 176.6751 67 F 4.6885 7.5587 113.5607 57.8762 39.5988 174.7932 68 D 5.0747 9.4654 120.7740 53.6170 44.5819 173.9294 69 L 5.3488 9.3668 125.7408 52.8399 46.4725 175.2503 70 K 4.8925 9.0132 122.9357 54.8063 34.7978 175.0377 71 I 5.0815 8.4944 126.7142 59.9280 41.3214 174.2151 72 T 5.1178 8.8866 122.2986 61.8647 71.9864 173.4801 73 V 4.6185 8.6255 118.3091 59.5927 35.7277 174.5597 74 L 5.2376 8.9490 123.3804 53.3875 44.2799 175.6738 75 I 5.1419 8.7818 115.0642 59.5523 41.6280 173.7934 76 E 4.6797 8.1932 120.4816 55.2501 34.4635 175.8629 77 G 3.6506 7.0938 107.8724 47.2520 0.0000 171.8006 78 H 5.4429 8.5370 113.0139 55.0226 33.0229 175.1069 79 V 4.2966 9.9477 119.9915 62.2847 31.0973 177.5745 80 D 4.4385 9.1553 117.0181 53.2668 41.1791 176.3591 *85 S 4.2707 8.0469 114.1950 55.9893 64.4350 173.8457 86 A 4.6114 7.6147 123.3746 51.3214 21.7547 176.3977 87 L 4.6365 7.5284 121.9220 53.2216 45.3424 174.2658 88 P 5.8500 0.0000 0.0000 62.2142 33.2647 174.4907 89 F 4.8211 7.6759 114.0626 57.0947 40.7568 172.3120 90 E 5.1363 8.5221 116.8972 55.5344 34.3556 175.5730 91 G 3.6285 8.5399 105.7338 46.9849 0.0000 172.2838 92 S 5.2544 7.5651 112.5763 56.8834 67.3134 173.1539 93 I 5.0184 8.7234 121.0685 59.8101 40.5279 173.8106 94 N 5.2765 9.0436 126.4565 51.8373 41.4479 173.7932 95 V 5.0660 8.7661 125.8977 59.4083 33.0694 174.2944 96 P 4.1495 0.0000 0.0000 65.1460 31.4499 176.3342 97 E 4.4905 7.6676 119.4389 54.8558 32.2188 174.6227 98 V 4.5290 9.1334 128.3979 61.2356 33.7375 174.1009 99 A 5.0191 8.9461 129.1945 49.5468 22.6046 176.3884 100 F 3.3067 7.8112 114.8667 59.1967 37.5593 176.3289 101 D 4.4853 6.2079 117.2696 52.4726 39.3714 176.3422 102 S 3.9211 7.6165 116.1314 58.9654 63.4835 173.8591 103 E 4.4598 8.6408 123.7283 54.4072 31.4362 177.1946 104 A 4.3077 8.5149 122.4675 55.6028 18.3843 178.9901 105 S 4.4855 7.9262 107.5783 59.7250 63.7518 175.4875 106 S 4.0809 7.4871 117.6849 61.5740 62.6907 174.9032 107 Y 4.0702 7.2565 116.9215 58.3180 38.3300 175.2349 108 Q 4.7094 8.1833 122.2848 54.0734 31.9073 174.4625 109 F 4.9476 8.8448 121.2657 55.9474 41.9244 174.5818 110 D 4.6990 9.5597 125.9937 52.8022 41.6161 174.7857 111 I 4.5063 8.2131 126.8010 60.8353 38.0505 175.5182 112 S 4.6686 9.2899 123.9457 56.5611 65.6844 173.2893 113 I 4.5474 8.0021 124.9176 59.1013 38.8106 175.5195 114 F 4.2983 9.0328 127.2099 58.8668 39.2770 176.7589 115 K 3.9039 8.5994 119.6509 57.7539 28.9776 173.7256 116 E 4.3107 7.6664 122.0480 56.0872 31.1734 175.3259 117 T 4.7558 7.9225 111.0925 59.5943 71.7913 174.7972 118 S 4.1366 8.7948 117.3281 61.3635 62.8238 175.7036 119 E 4.1630 7.8970 119.4253 58.9492 29.6629 178.1469 120 L 4.2444 8.2639 116.9593 55.6298 41.4939 178.6810 121 S 4.5637 7.6657 110.7302 59.2352 61.9468 175.1166 122 E 4.5421 8.2061 119.3899 56.2413 30.4475 177.6820 123 A 3.8015 7.5639 121.5636 54.8636 18.4971 179.3372 124 K 3.7101 7.7495 115.8713 59.3929 32.3814 177.6291 125 P 4.3841 0.0000 0.0000 65.3257 31.2330 178.3291 126 L 3.8964 7.4626 118.6766 58.2375 42.0818 178.8503 127 I 3.6366 7.9293 119.7879 64.6055 36.8634 178.6806 128 R 3.8235 8.1702 118.1997 59.2058 29.9641 179.0070 129 S 4.2484 7.8087 112.6481 60.7586 63.1814 175.3748 130 E 4.4716 7.8277 119.6472 56.5642 31.4170 177.9340 131 L 3.9958 7.5578 119.7795 57.9317 42.3775 178.2737 132 L 3.3717 7.5053 119.1558 57.3471 41.0388 178.0108 133 P 4.2167 0.0000 0.0000 65.3874 30.8378 178.0474 134 K 4.1259 8.0498 118.0124 58.1183 32.1816 179.1081 135 L 3.6458 7.3792 119.3705 57.4781 41.6518 179.1613 136 R 4.0425 8.2119 118.6463 59.4617 29.8811 179.1700 137 Q 4.1316 7.5385 115.0675 59.1836 28.9123 178.4190 138 I 3.8869 7.3266 121.4980 64.3582 37.0266 178.2843 139 F 4.7565 7.6864 118.5312 61.0169 38.4417 177.8426 140 Q 4.4874 8.2454 116.6084 58.8164 28.7198 178.0934 141 Q 4.2790 8.2595 120.5737 58.4964 29.1634 177.2978 142 F 4.0775 8.2896 120.8579 61.3927 39.3742 177.3872 143 G 3.5138 8.2967 104.4730 47.6667 0.0000 175.4776 144 K 3.9585 8.0469 120.5384 59.4428 32.0010 178.8340 145 D 4.4340 8.0552 117.8186 57.4046 40.7318 178.4964 146 L 3.4090 8.0207 120.9111 57.8552 41.7079 179.1736 147 L 3.9309 7.5359 117.9719 57.5061 41.4684 180.0323 148 A 4.5768 7.7249 117.3638 52.6111 18.3663 178.1995 149 T 4.4904 7.4705 115.9188 65.3582 72.0693 174.6042 150 H 4.6780 7.7923 113.5271 55.0171 31.6039 173.9274 151 G 3.8388 9.2239 109.8672 47.4009 0.0000 175.6387 152 N 4.5439 8.0619 116.8828 54.4692 38.9039 175.5515 153 D 4.4921 7.5491 121.7432 53.3764 39.7902 181.3473 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 12 V 8.05 4.01 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 0.98 0.00 0.00 0.92 0.00 0.00 13 D 8.36 5.13 0.00 2.66 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 14 K 8.71 4.59 0.00 1.80 1.83 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.33 7.81 15 N 8.72 4.94 0.00 2.75 2.82 0.00 0.00 7.03 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 16 C 8.50 4.65 0.00 3.01 2.76 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 17 I 8.78 3.92 2.04 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 1.52 1.30 1.04 0.00 0.00 18 G 8.14 3.68 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 0.00 0.00 0.00 19 W 8.33 4.18 0.00 3.45 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 20 A 8.74 4.08 1.61 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 0.00 0.00 21 K 8.12 4.08 0.00 2.12 1.93 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.62 7.81 22 E 7.93 4.07 0.00 1.91 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 2.30 2.45 0.00 23 Y 7.58 3.48 0.00 1.85 2.32 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 24 F 8.18 4.36 0.00 3.22 3.06 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 25 K 7.79 4.09 0.00 1.97 1.83 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 26 Q 7.56 4.10 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.07 0.00 27 K 7.61 3.94 0.00 1.64 1.79 0.00 1.55 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.71 0.39 7.81 28 I 8.05 4.07 2.12 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 1.39 1.31 0.91 0.00 0.00 29 V 6.77 3.88 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 0.80 0.00 0.00 0.99 0.00 0.00 30 G 9.29 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 31 V 7.35 3.68 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 0.88 0.00 0.00 0.92 0.00 0.00 32 E 8.24 4.84 0.00 1.75 1.60 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 2.17 2.38 0.00 33 A 8.97 4.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.12 4.19 0.00 1.78 1.91 0.00 1.79 0.00 0.00 2.10 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.50 7.81 40 K 7.64 4.83 0.00 1.73 1.79 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.47 7.81 41 Y 9.19 4.80 0.00 3.01 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 42 A 7.27 4.58 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 43 K 8.43 4.65 0.00 1.81 1.57 0.00 1.32 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.35 7.81 44 I 9.04 3.71 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.87 0.90 0.00 0.00 45 K 9.30 4.36 0.00 1.72 1.85 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.38 7.81 46 S 7.77 4.76 0.00 3.89 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 47 V 8.24 4.59 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 0.88 0.00 0.00 0.97 0.00 0.00 48 S 8.72 4.48 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 49 S 7.62 4.70 0.00 3.86 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 50 I 8.40 4.99 1.89 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 1.23 0.54 0.90 0.00 0.00 51 E 9.55 4.63 0.00 1.84 1.80 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 0.00 2.22 2.22 0.00 52 G 8.55 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 0.00 0.00 0.00 53 D 8.62 5.05 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.51 4.96 0.00 3.22 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 55 E 8.77 5.16 0.00 1.85 1.88 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 2.22 2.31 0.00 56 V 8.58 4.39 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 0.78 0.00 0.00 57 N 8.87 5.33 0.00 2.67 2.76 0.00 0.00 6.54 6.84 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 58 Q 9.43 4.52 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 59 R 9.05 4.36 0.00 1.75 1.77 0.00 3.11 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 *61 G 8.40 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.64 4.44 0.00 1.78 1.68 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.36 7.81 63 V 8.17 5.23 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 0.68 0.00 0.00 1.00 0.00 0.00 64 I 7.29 3.74 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 0.85 0.00 0.00 65 S 7.83 4.74 0.00 3.82 3.83 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 0.00 0.00 0.00 66 L 8.19 3.82 0.00 1.43 1.10 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.56 4.69 0.00 3.52 3.34 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 68 D 9.47 5.07 0.00 2.80 2.59 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 69 L 9.37 5.35 0.00 1.49 1.41 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.01 4.89 0.00 1.72 1.58 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.31 7.81 71 I 8.49 5.08 1.57 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.35 0.80 0.00 0.00 72 T 8.89 5.12 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 73 V 8.63 4.62 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 0.76 0.00 0.00 0.97 0.00 0.00 74 L 8.95 5.24 0.00 1.59 1.65 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.78 5.14 1.85 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 1.30 0.86 0.89 0.00 0.00 76 E 8.19 4.68 0.00 1.74 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 2.27 2.22 0.00 77 G 7.09 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 78 H 8.54 5.44 0.00 3.39 3.43 0.00 5.40 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 9.95 4.30 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 0.88 0.00 0.00 1.01 0.00 0.00 80 D 9.16 4.44 0.00 3.00 2.76 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 *85 S 8.05 4.27 0.00 4.02 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 86 A 7.61 4.61 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 87 L 7.53 4.64 0.00 1.77 1.55 0.98 0.99 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 88 P 0.00 5.85 0.00 2.01 2.06 0.00 3.87 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 89 F 7.68 4.82 0.00 3.17 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 90 E 8.52 5.14 0.00 2.13 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 0.00 2.40 2.34 0.00 91 G 8.54 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.57 5.25 0.00 3.88 4.01 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 0.00 0.00 0.00 93 I 8.72 5.02 1.94 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 1.13 0.78 1.11 0.00 0.00 94 N 9.04 5.28 0.00 2.80 2.64 0.00 0.00 6.16 7.28 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 95 V 8.77 5.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.90 0.00 0.00 96 P 0.00 4.15 0.00 2.14 2.11 0.00 3.82 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 97 E 7.67 4.49 0.00 1.86 1.72 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 2.08 2.46 0.00 98 V 9.13 4.53 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 1.07 0.00 0.00 -0.18 0.00 0.00 99 A 8.95 5.02 1.04 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 0.00 0.00 100 F 7.81 3.31 0.00 2.91 2.63 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 0.00 0.00 0.00 0.00 101 D 6.21 4.49 0.00 2.33 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 0.00 102 S 7.62 3.92 0.00 3.77 3.10 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 0.00 103 E 8.64 4.46 0.00 1.83 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 2.15 2.29 0.00 104 A 8.51 4.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.49 0.00 4.01 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 0.00 106 S 7.49 4.08 0.00 3.40 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 0.00 107 Y 7.26 4.07 0.00 3.05 2.45 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 0.00 108 Q 8.18 4.71 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 109 F 8.84 4.95 0.00 2.87 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 0.00 110 D 9.56 4.70 0.00 2.76 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 0.00 111 I 8.21 4.51 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 1.35 0.70 0.85 0.00 0.00 112 S 9.29 4.67 0.00 3.64 3.32 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 0.00 113 I 8.00 4.55 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.72 0.00 0.00 114 F 9.03 4.30 0.00 3.10 2.93 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 0.00 115 K 8.60 3.90 0.00 1.90 1.99 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.51 7.81 116 E 7.67 4.31 0.00 2.11 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 2.20 0.00 117 T 7.92 4.76 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 1.23 0.00 0.00 118 S 8.79 4.14 0.00 3.99 4.08 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 0.00 0.00 0.00 119 E 7.90 4.16 0.00 2.17 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 2.32 2.32 0.00 120 L 8.26 4.24 0.00 1.73 1.53 0.98 0.71 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 0.00 121 S 7.67 4.56 0.00 3.93 4.04 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 0.00 122 E 8.21 4.54 0.00 1.93 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 0.00 2.19 2.41 0.00 123 A 7.56 3.80 0.48 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 0.00 0.00 124 K 7.75 3.71 0.00 1.72 1.82 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.39 7.81 125 P 0.00 4.38 0.00 2.12 2.08 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 126 L 7.46 3.90 0.00 1.87 1.88 0.93 0.98 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 0.00 127 I 7.93 3.64 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 0.84 0.00 0.00 128 R 8.17 3.82 0.00 1.68 1.94 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 129 S 7.81 4.25 0.00 4.04 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 0.00 130 E 7.83 4.47 0.00 1.92 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 0.00 2.21 2.40 0.00 131 L 7.56 4.00 0.00 1.64 1.72 0.80 0.57 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 0.00 132 L 7.51 3.37 0.00 1.55 0.90 0.67 0.51 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 0.00 133 P 0.00 4.22 0.00 2.22 2.28 0.00 3.44 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 134 K 8.05 4.13 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.49 7.81 135 L 7.38 3.65 0.00 1.63 1.59 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.21 4.04 0.00 2.08 2.24 0.00 3.26 0.00 0.00 3.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 137 Q 7.54 4.13 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 138 I 7.33 3.89 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.98 0.00 0.00 139 F 7.69 4.76 0.00 2.36 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 0.00 140 Q 8.25 4.49 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 2.99 2.78 0.00 141 Q 8.26 4.28 0.00 2.45 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 142 F 8.29 4.08 0.00 3.19 3.53 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 0.00 143 G 8.30 3.51 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 0.00 144 K 8.05 3.96 0.00 2.06 1.91 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.62 7.81 145 D 8.06 4.43 0.00 2.84 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 0.00 146 L 8.02 3.41 0.00 0.72 1.28 0.40 0.06 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 0.00 147 L 7.54 3.93 0.00 1.70 1.63 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.72 4.58 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 0.00 149 T 7.47 4.49 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 0.71 0.00 0.00 150 H 7.79 4.68 0.00 2.77 3.09 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 9.22 3.84 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 0.00 0.00 0.00 152 N 8.06 4.54 0.00 2.69 2.85 0.00 0.00 6.78 8.06 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 0.00 153 D 7.55 4.49 0.00 2.74 2.44 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 * Residues marked with a * may have inaccurate shift predictions.