NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 L 4.2617 8.0276 120.6186 53.8594 43.1090 176.8254 12 P 3.7208 0.0000 0.0000 64.0155 30.7631 174.9167 13 E 4.0568 8.5946 116.0838 57.6803 30.5311 178.0782 14 E 4.4857 8.4900 119.0805 56.1912 30.1863 176.3481 15 S 4.3428 7.9850 115.5930 57.7716 63.9476 174.6109 16 L 3.9942 8.5698 129.2261 57.8770 41.5076 179.1768 17 F 4.0502 7.6116 120.5486 61.3385 39.2083 176.8730 18 F 3.5243 8.3329 119.8948 61.3209 39.2089 177.1841 19 R 3.8483 8.0821 117.5788 59.4350 29.8559 178.9813 20 E 3.9062 8.1170 118.2735 59.0363 29.4983 179.1844 21 L 3.7087 7.3872 120.7134 57.7377 41.9851 179.0113 22 V 3.4483 7.3561 118.3575 66.0038 31.4344 177.9194 23 K 3.9092 7.9192 119.1734 59.4860 31.7991 178.6691 24 Q 3.8939 8.0907 118.3446 58.8917 28.4282 178.9935 25 W 4.2516 7.8497 118.1108 59.7336 29.2882 178.5787 26 R 4.2742 8.5494 118.1315 59.2929 29.2708 178.9363 27 A 3.9880 8.0317 119.7614 55.2166 18.3912 179.4470 28 Q 3.9940 7.6794 115.9918 58.0593 30.3276 177.5883 29 D 4.1655 7.6297 120.9626 52.7554 37.7437 176.3103 30 S 3.9128 7.5578 118.6903 61.2152 63.3804 175.3095 31 Y 4.6047 7.4911 114.2288 57.1298 38.0833 175.3841 32 G 3.9774 8.0694 108.5418 46.8368 0.0000 176.7003 33 T 3.8599 8.2695 118.2445 65.4339 68.8665 175.5584 34 W 4.9801 9.1246 122.6530 57.0697 29.3025 178.4863 35 E 4.1349 8.0214 117.2961 58.8140 29.1213 182.2355 36 K 4.3340 8.0051 115.1438 57.6669 32.6875 177.3095 37 K 4.4688 8.0907 118.7967 54.8341 32.9129 177.1011 38 S 4.4423 8.3598 116.9213 58.0582 64.0430 175.3834 39 D 4.4102 8.5174 117.0578 55.0134 40.1320 178.3787 *41 E 4.1674 8.3360 121.9597 56.1593 31.3043 177.2793 42 L 3.6251 7.8337 119.1793 57.7933 42.2253 177.5793 43 L 4.3701 7.7029 115.2299 54.4068 42.2345 178.0784 44 A 4.0732 7.7467 123.5121 54.7634 18.3788 178.2115 45 P 4.1875 0.0000 0.0000 65.4989 31.4836 177.0276 46 Y 4.2125 8.3173 115.3553 59.3066 38.1471 174.8573 47 V 4.9338 7.6801 121.1705 61.0450 33.1468 174.9456 48 L 4.6368 8.8079 126.4383 54.3944 43.6243 174.6340 49 D 4.4263 8.8593 123.7717 54.0840 40.5591 177.4543 50 K 3.8127 9.0783 124.8623 60.7941 31.3253 179.8930 51 E 4.1762 7.9878 118.1441 59.0547 29.6528 178.9090 52 Q 4.0702 7.8956 118.2886 59.2277 28.7222 178.3253 53 R 3.8633 7.8460 119.3597 59.4440 29.9102 178.4496 54 R 4.0758 7.9391 116.0041 58.0972 30.1996 178.0211 55 A 4.2700 7.5607 119.6478 52.5968 18.8480 177.7350 56 I 3.6778 6.7524 118.0583 60.7848 37.4162 174.6291 57 P 4.5212 0.0000 0.0000 62.5097 32.0401 176.8336 58 I 3.8652 7.7986 120.8137 59.0052 36.5030 173.4327 59 I 4.3871 7.5199 122.3210 59.8024 40.1440 176.8502 60 G 3.7582 8.6183 115.0565 46.5135 0.0000 172.3192 61 D 4.6643 8.5197 121.8459 52.8023 41.9904 174.6631 62 P 4.1466 0.0000 0.0000 61.9978 32.3774 176.7897 63 D 4.5272 8.4272 120.0951 54.1482 42.6005 176.2046 64 P 4.3401 0.0000 0.0000 65.7165 31.3683 178.5255 65 E 4.1748 8.4029 117.7560 59.5466 29.4960 178.9148 66 I 3.7232 7.7601 119.1256 64.4615 37.2316 178.1997 67 L 3.9257 7.8537 119.4385 57.5768 41.2807 179.7039 68 W 4.0953 8.6966 119.2560 59.7893 29.0513 178.7341 69 R 4.7113 8.3306 119.4635 58.8904 29.5207 179.3397 70 V 3.1349 7.8319 117.9779 65.6792 31.4111 177.5718 71 E 4.0004 8.3665 119.1482 59.5810 29.4649 178.9155 72 L 4.0313 8.4989 119.2547 57.4522 41.5691 179.1355 73 F 4.2745 8.8097 120.8445 61.9725 39.4117 176.9874 74 Y 4.1849 8.6158 116.0870 60.8797 37.5441 177.9697 75 N 4.3620 8.7956 117.9059 56.4380 38.6747 177.2040 76 A 3.8811 8.2356 122.1335 54.9564 18.3575 179.7443 77 V 3.7196 7.9069 116.9863 66.1302 31.6117 178.4545 78 G 3.7523 8.1457 106.6315 47.4629 0.0000 175.7283 79 L 4.0795 8.2636 121.7000 57.0673 41.5616 179.5269 80 A 4.0134 8.2332 121.0987 55.3878 18.0069 179.7308 81 T 3.8404 8.1296 114.4093 66.8114 68.4268 176.4764 82 E 4.4090 8.2957 122.5537 58.7744 29.4352 178.8421 83 R 3.6366 7.9106 117.8124 58.9670 30.2612 177.5391 84 A 4.4092 7.8852 118.1934 52.8220 18.9924 177.7416 85 S 4.4074 7.5098 107.6584 56.6823 65.0580 175.6578 86 G 3.9992 9.0741 108.8849 45.3379 0.0000 174.4881 87 V 4.0505 7.3279 122.2274 62.3792 30.6411 175.9729 *89 V 4.3787 8.1953 118.6066 62.6672 32.8163 174.6488 90 S 4.8257 8.6467 122.7046 56.2064 66.0309 172.9323 91 P 5.6081 0.0000 0.0000 61.1925 33.7673 174.2344 *94 K 3.8827 8.2929 120.4790 56.9414 33.4743 174.0133 *96 S 4.2611 8.0939 111.9363 58.1708 62.0900 171.9020 97 H 4.1064 8.4004 109.6050 58.7136 30.1308 176.2285 98 E 4.4525 8.5463 117.2153 55.9128 30.3010 176.8973 99 G 3.9945 9.4114 114.1580 47.2246 0.0000 173.6488 100 F 5.2345 7.7987 118.5724 56.0594 41.1146 175.3126 101 G 3.9987 8.4061 107.8754 46.4545 0.0000 170.9888 102 R 5.1630 8.6226 119.8915 53.5247 33.8828 174.5937 *104 V 4.1397 8.1273 111.0585 61.2633 33.5375 174.7041 105 L 5.1699 8.7137 123.0471 53.0859 44.5264 175.4378 106 I 4.9085 8.7012 124.2804 59.4024 40.1771 174.3091 107 A 4.6183 9.1048 129.8658 50.4655 21.0846 177.8088 108 G 4.2026 9.0619 113.2922 46.9242 0.0000 173.9872 109 R 4.4566 7.6420 119.0109 55.2567 30.6022 174.6665 110 L 4.4670 8.0726 121.6635 53.1621 43.4265 175.7196 111 I 4.4793 8.1928 127.1988 60.8796 36.5528 175.8909 112 V 4.0212 8.6868 120.5563 62.5300 32.2631 176.6641 113 V 4.5453 7.5898 119.2867 61.0123 34.9035 173.4135 114 N 5.2415 8.9254 125.6138 51.6458 41.3055 173.1879 115 K 4.5498 8.4109 126.2092 54.8999 35.7966 174.7338 116 Q 4.6651 8.8532 127.1981 55.0545 29.2672 175.4658 117 L 4.5449 8.9429 126.3612 54.2377 42.9711 176.6395 118 R 4.4908 8.0539 118.5398 54.4093 33.1133 173.9637 119 D 4.2343 8.0385 116.6543 55.1208 38.6857 176.3165 120 V 3.6055 7.5575 119.5798 66.1821 31.9336 177.3186 121 H 4.0281 8.4882 115.9783 58.7605 28.5434 175.8616 122 R 4.3758 8.0667 116.4527 55.6737 29.8883 176.1402 123 F 3.8612 8.4660 122.1413 57.1282 39.5231 175.0679 124 G 3.7888 6.0106 117.3287 45.3846 0.0000 170.9290 125 F 4.7842 8.0296 117.5021 54.5667 42.5042 175.0292 126 P 4.8007 0.0000 0.0000 65.5077 32.7077 176.4388 127 S 4.2481 7.3472 116.8656 58.0605 67.1778 176.1338 *129 E 4.1448 8.9871 115.8310 56.0664 31.0513 177.6473 130 K 3.9255 8.1879 119.2932 59.0902 32.1761 178.4119 131 L 2.8727 8.0830 120.6413 57.9997 41.8715 178.9109 132 A 4.2963 7.9505 119.9104 55.2262 18.3941 178.9930 133 E 3.8044 8.2772 117.8515 59.5326 29.5821 178.9844 134 E 4.0499 8.4073 119.0826 59.1315 29.4858 179.5269 135 G 2.0000 7.4427 105.7427 47.1092 0.0000 175.3364 136 D 4.3169 7.8970 121.6926 57.0579 40.8069 179.1127 137 K 3.9056 7.9342 118.7734 59.4960 32.0575 179.3702 138 L 4.0000 7.5718 119.0897 57.7016 41.4296 179.7404 139 V 3.5645 7.7313 117.9886 65.8511 31.4942 177.8122 140 A 4.0808 8.3068 120.9310 55.2687 18.0071 179.8620 141 G 3.5770 8.0650 102.6966 47.8649 0.0000 175.4726 142 A 4.4505 7.8633 123.5708 54.4373 18.6557 179.3928 143 L 4.1519 8.3006 117.9265 57.7077 41.6346 179.8212 144 E 4.1535 8.0825 115.7837 57.1896 29.0641 178.3330 *146 I 4.1623 7.7037 120.0634 60.9266 39.2268 177.6548 147 E 3.8077 8.3637 120.0611 59.0946 29.7005 178.1334 148 K 3.7888 7.9397 117.3975 58.6764 32.7926 177.5223 149 F 5.1581 7.3729 115.5023 55.1178 39.4056 174.1954 150 P 4.4300 0.0000 0.0000 65.9965 31.1902 178.5360 151 E 4.0880 8.2519 118.0298 59.0801 29.4658 179.2343 152 V 3.5494 7.9262 117.8578 65.9217 31.2217 177.7514 153 A 4.3525 8.3472 120.5607 54.5160 17.9249 178.8115 154 R 4.5572 7.5158 113.2234 55.8125 30.6285 176.2144 155 F 4.1428 7.6241 126.2305 58.5905 39.2680 174.7184 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 11 L 8.03 4.26 0.00 1.72 1.77 0.89 0.63 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 12 P 0.00 3.72 0.00 1.55 1.93 0.00 3.57 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 1.85 1.83 0.00 13 E 8.59 4.06 0.00 2.13 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 2.24 2.26 0.00 14 E 8.49 4.49 0.00 2.02 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 0.00 2.26 2.20 0.00 15 S 7.98 4.34 0.00 3.95 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 16 L 8.57 3.99 0.00 1.78 1.73 0.94 1.02 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 17 F 7.61 4.05 0.00 3.07 3.22 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 18 F 8.33 3.52 0.00 3.19 3.20 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 19 R 8.08 3.85 0.00 2.00 1.96 0.00 3.70 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 20 E 8.12 3.91 0.00 1.94 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 0.00 2.49 2.42 0.00 21 L 7.39 3.71 0.00 0.90 1.08 1.04 0.28 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 22 V 7.36 3.45 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 1.07 0.00 0.00 0.43 0.00 0.00 23 K 7.92 3.91 0.00 2.02 1.88 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 24 Q 8.09 3.89 0.00 2.16 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 25 W 7.85 4.25 0.00 3.41 3.42 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 0.00 0.00 0.00 0.00 26 R 8.55 4.27 0.00 2.02 2.05 0.00 3.39 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 27 A 8.03 3.99 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 28 Q 7.68 3.99 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.39 0.00 0.00 0.00 0.00 0.00 2.27 1.85 0.00 29 D 7.63 4.17 0.00 2.51 2.65 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 30 S 7.56 3.91 0.00 3.09 3.55 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 Y 7.49 4.60 0.00 2.85 2.77 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 32 G 8.07 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 33 T 8.27 3.86 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 1.19 0.00 0.00 34 W 9.12 4.98 0.00 3.57 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 35 E 8.02 4.13 0.00 1.96 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 0.00 2.26 2.16 0.00 36 K 8.01 4.33 0.00 2.05 1.92 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.43 1.02 7.81 37 K 8.09 4.47 0.00 1.92 1.76 0.00 1.45 0.00 0.00 1.43 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.43 7.81 38 S 8.36 4.44 0.00 4.03 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 39 D 8.52 4.41 0.00 2.83 2.77 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 *41 E 8.34 4.17 0.00 2.00 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 0.00 2.16 2.24 0.00 42 L 7.83 3.63 0.00 1.67 1.84 0.63 0.94 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 43 L 7.70 4.37 0.00 1.80 1.69 0.33 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.75 4.07 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 45 P 0.00 4.19 0.00 1.71 1.92 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 46 Y 8.32 4.21 0.00 3.41 3.30 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 0.00 47 V 7.68 4.93 2.27 0.00 0.00 0.00 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 1.06 0.00 0.00 48 L 8.81 4.64 0.00 1.58 1.55 0.89 0.92 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 49 D 8.86 4.43 0.00 2.73 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 50 K 9.08 3.81 0.00 1.78 1.89 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.14 7.81 51 E 7.99 4.18 0.00 1.92 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 0.00 2.30 2.30 0.00 52 Q 7.90 4.07 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 53 R 7.85 3.86 0.00 1.89 2.02 0.00 3.04 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 54 R 7.94 4.08 0.00 1.81 1.94 0.00 3.18 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 55 A 7.56 4.27 1.32 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 0.00 0.00 56 I 6.75 3.68 1.94 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 1.28 0.73 0.91 0.00 0.00 57 P 0.00 4.52 0.00 2.00 1.97 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 58 I 7.80 3.87 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.76 0.00 0.00 59 I 7.52 4.39 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 1.34 0.58 0.93 0.00 0.00 60 G 8.62 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 0.00 0.00 0.00 61 D 8.52 4.66 0.00 2.68 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 62 P 0.00 4.15 0.00 1.92 1.74 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 63 D 8.43 4.53 0.00 2.70 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 64 P 0.00 4.34 0.00 2.34 2.26 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 65 E 8.40 4.17 0.00 2.12 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 0.00 2.41 2.47 0.00 66 I 7.76 3.72 2.01 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 1.65 0.87 0.93 0.00 0.00 67 L 7.85 3.93 0.00 1.79 1.55 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.70 4.10 0.00 3.78 3.52 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 69 R 8.33 4.71 0.00 2.03 1.71 0.00 2.21 0.00 0.00 2.67 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 70 V 7.83 3.13 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 0.94 0.00 0.00 0.01 0.00 0.00 71 E 8.37 4.00 0.00 2.09 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 0.00 2.10 2.36 0.00 72 L 8.50 4.03 0.00 2.00 1.62 1.04 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.81 4.27 0.00 3.66 3.48 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 74 Y 8.62 4.18 0.00 3.20 3.09 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 75 N 8.80 4.36 0.00 2.96 2.91 0.00 0.00 6.82 6.98 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 76 A 8.24 3.88 1.09 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 0.00 0.00 77 V 7.91 3.72 2.27 0.00 0.00 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 0.57 0.00 0.00 78 G 8.15 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 0.00 0.00 0.00 79 L 8.26 4.08 0.00 1.67 1.82 0.90 1.08 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 80 A 8.23 4.01 1.43 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 0.00 0.00 0.00 81 T 8.13 3.84 4.44 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 1.24 0.00 0.00 82 E 8.30 4.41 0.00 2.13 2.10 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 2.31 2.19 0.00 83 R 7.91 3.64 0.00 1.98 2.09 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 84 A 7.89 4.41 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 85 S 7.51 4.41 0.00 3.98 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 86 G 9.07 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 87 V 7.33 4.05 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 0.97 0.00 0.00 0.96 0.00 0.00 *89 V 8.20 4.38 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 0.98 0.00 0.00 1.02 0.00 0.00 90 S 8.65 4.83 0.00 3.92 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 91 P 0.00 5.61 0.00 1.97 2.11 0.00 3.77 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 *94 K 8.29 3.88 0.00 1.81 1.72 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 *96 S 8.09 4.26 0.00 3.89 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 97 H 8.40 4.11 0.00 3.36 3.38 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.55 4.45 0.00 2.15 1.73 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 2.29 2.42 0.00 99 G 9.41 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 0.00 100 F 7.80 5.23 0.00 2.64 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 0.00 101 G 8.41 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 0.00 102 R 8.62 5.16 0.00 1.74 1.77 0.00 3.25 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 *104 V 8.13 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 0.86 0.00 0.00 0.89 0.00 0.00 105 L 8.71 5.17 0.00 1.61 1.60 1.09 1.21 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 0.00 106 I 8.70 4.91 1.88 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 0.67 0.93 0.00 0.00 107 A 9.10 4.62 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 0.00 108 G 9.06 4.20 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 0.00 109 R 7.64 4.46 0.00 1.54 1.67 0.00 3.11 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.00 110 L 8.07 4.47 0.00 1.69 1.74 0.91 1.03 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 0.00 111 I 8.19 4.48 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 1.38 0.90 0.94 0.00 0.00 112 V 8.69 4.02 2.13 0.00 0.00 0.00 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 1.02 0.00 0.00 113 V 7.59 4.55 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 1.24 0.00 0.00 1.02 0.00 0.00 114 N 8.93 5.24 0.00 2.71 2.66 0.00 0.00 6.82 6.68 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 0.00 115 K 8.41 4.55 0.00 1.95 1.53 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.57 7.81 116 Q 8.85 4.67 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 117 L 8.94 4.54 0.00 1.66 1.58 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.05 4.49 0.00 1.64 1.80 0.00 3.30 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.00 119 D 8.04 4.23 0.00 2.76 2.66 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 0.00 0.00 0.00 120 V 7.56 3.61 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 0.97 0.00 0.00 0.98 0.00 0.00 121 H 8.49 4.03 0.00 3.08 3.38 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.07 4.38 0.00 1.84 1.87 0.00 3.11 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 123 F 8.47 3.86 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.01 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 0.00 125 F 8.03 4.78 0.00 3.09 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 0.00 126 P 0.00 4.80 0.00 2.20 2.19 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 127 S 7.35 4.25 0.00 3.99 3.42 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 0.00 0.00 0.00 0.00 *129 E 8.99 4.14 0.00 2.05 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 2.21 2.25 0.00 130 K 8.19 3.93 0.00 1.91 2.03 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.63 7.81 131 L 8.08 2.87 0.00 1.68 1.66 0.74 0.91 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 0.00 132 A 7.95 4.30 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 0.00 133 E 8.28 3.80 0.00 2.01 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 0.00 2.27 2.32 0.00 134 E 8.41 4.05 0.00 1.75 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 2.50 2.69 0.00 135 G 7.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.90 4.32 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 0.00 137 K 7.93 3.91 0.00 1.92 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.71 7.81 138 L 7.57 4.00 0.00 1.62 1.73 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.73 3.56 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 1.11 0.00 0.00 0.96 0.00 0.00 140 A 8.31 4.08 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 0.00 141 G 8.06 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 0.00 142 A 7.86 4.45 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 0.00 143 L 8.30 4.15 0.00 1.84 1.74 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.08 4.15 0.00 2.04 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 0.00 2.30 2.33 0.00 *146 I 7.70 4.16 2.02 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 1.35 0.84 0.94 0.00 0.00 147 E 8.36 3.81 0.00 1.90 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 0.00 2.26 2.25 0.00 148 K 7.94 3.79 0.00 0.94 0.74 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.43 7.81 149 F 7.37 5.16 0.00 3.07 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 0.00 150 P 0.00 4.43 0.00 2.29 2.33 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 151 E 8.25 4.09 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 152 V 7.93 3.55 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 0.97 0.00 0.00 0.94 0.00 0.00 153 A 8.35 4.35 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.52 4.56 0.00 1.97 1.97 0.00 3.34 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 155 F 7.62 4.14 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.