NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2280 8.4401 121.4786 56.4299 30.5360 175.0554 2 A 4.4684 8.5268 128.1940 51.5695 19.5123 175.7201 3 A 4.2128 8.1175 123.4612 54.4615 20.6857 176.6035 4 V 4.8083 7.8857 116.0771 61.4041 33.9466 174.7895 5 T 4.8099 9.1189 118.5826 59.9969 71.7324 173.0156 6 Q 5.3684 8.7651 122.0562 54.4809 32.3854 174.8895 7 S 4.7544 9.0856 116.1737 56.2635 66.0505 172.2240 8 P 4.8244 0.0000 0.0000 62.0518 32.5634 176.1048 9 R 4.1846 8.4789 118.8712 58.9178 31.0919 175.8288 10 N 5.5108 7.9560 113.8297 51.4285 42.7521 174.2016 11 K 4.5658 9.3312 123.4929 55.0469 36.3066 174.5617 12 V 4.8494 8.5328 126.7132 61.1462 33.3559 174.3136 13 A 5.0163 9.4959 129.6964 50.2376 22.6677 175.2558 14 V 4.4431 8.6518 112.5641 59.8486 33.9619 176.2871 15 T 4.1326 7.5184 120.2463 65.7337 68.7265 175.1237 16 G 4.4353 9.4263 114.6955 44.7175 0.0000 173.5231 17 E 4.0920 7.8354 121.5915 55.9346 31.0133 175.4496 18 K 4.7689 8.4711 127.4904 55.6541 33.2859 175.7587 19 V 4.4163 8.7358 127.6812 61.2581 34.6039 174.0914 20 T 4.8911 8.4234 123.4557 61.7282 71.0862 173.1201 21 L 4.6994 8.9314 127.4629 53.1824 43.9346 175.7180 22 S 5.2800 9.3572 119.6819 56.9791 66.2783 172.3926 23 C 5.4131 8.9190 121.8820 54.9718 45.6673 171.9741 24 N 5.8389 9.4232 125.2480 51.7341 41.4113 172.8984 25 Q 5.2649 9.0772 124.0847 54.5852 31.0312 175.2356 26 T 4.4909 8.7153 111.1834 61.8299 69.6691 175.8437 27 N 4.2072 8.1832 119.4206 53.9411 38.9478 174.3478 28 N 4.1489 7.8634 115.0958 54.6716 37.3800 173.2174 29 H 4.8651 7.4682 112.5768 54.5802 30.1376 175.9283 30 N 4.6619 8.8216 120.8098 55.9824 38.9851 174.8306 31 N 5.5094 7.8519 115.0025 51.7658 40.4867 174.6551 32 M 5.1847 7.6466 120.6637 53.9711 36.9201 173.7099 33 Y 5.4816 9.3549 118.2273 56.4103 43.2899 174.0578 34 W 5.4464 9.9548 122.8424 55.3997 31.9718 174.5214 35 Y 5.5583 10.0112 122.4038 56.1721 41.7015 174.7530 36 R 5.0301 9.0652 116.7436 54.4983 33.4347 174.1088 37 Q 4.7635 9.1393 122.1885 54.9466 31.4551 175.5788 38 D 4.3103 9.1306 127.0942 57.1822 41.4819 178.3696 39 T 4.5303 7.2824 107.7217 61.4295 68.8486 174.1307 40 G 4.2672 8.2056 103.5067 47.9483 0.0000 174.0193 41 H 4.9611 7.0349 117.1351 54.8934 28.7162 175.5746 42 E 4.0300 8.8385 129.6471 57.4315 29.8965 176.1021 43 L 4.5787 8.4321 127.1969 54.5610 42.7948 176.3089 44 R 4.8493 9.0013 122.7209 54.0746 33.5528 174.9347 45 L 3.8367 8.5193 125.5570 55.4045 42.8888 176.4041 46 I 4.1301 9.2390 127.0838 63.0091 39.0771 175.2338 47 Y 5.3211 7.8513 117.5992 56.9604 42.7563 173.1882 48 Y 5.4185 9.1141 119.3155 56.1486 42.6312 173.5645 49 S 4.4481 8.3488 113.5939 57.0575 65.4208 174.3833 50 Y 4.5497 8.1764 123.4729 57.8652 38.3992 175.5381 51 G 4.1109 7.2954 108.4666 43.2720 0.0000 171.2621 52 A 4.1514 8.0329 121.7776 54.1793 18.2705 178.3090 53 G 3.9458 9.3542 111.4585 45.0970 0.0000 172.8974 54 S 4.8642 7.8173 114.5223 56.7627 64.2800 173.6495 55 T 4.7203 8.3916 122.5626 62.2129 72.1182 172.9677 56 E 4.5770 9.1804 126.1455 53.8608 33.1555 175.6576 57 K 3.0739 8.6815 124.0932 56.2183 32.4093 177.4241 58 G 4.1273 8.0827 115.8918 46.6086 0.0000 174.7520 59 D 4.6556 8.9858 121.1727 56.1026 41.4192 177.3941 60 I 4.6389 7.3927 109.6844 58.7236 36.9667 173.5267 61 P 4.4953 0.0000 0.0000 65.1178 32.4116 177.4348 62 D 4.3255 8.1211 119.7362 56.1375 41.1940 176.5890 63 G 3.5948 8.8275 112.7038 45.4016 0.0000 172.0414 *65 Y 5.3554 7.2069 115.4067 57.9994 39.4749 174.1857 66 K 4.5870 8.9166 120.7690 54.6770 35.9057 174.7885 67 A 4.9103 7.7567 125.9873 50.1796 22.6611 175.4025 68 S 4.3986 8.6659 113.5690 57.0921 66.2081 173.2238 69 R 5.1180 8.7299 128.5239 54.1192 29.1074 173.9758 70 P 4.5905 0.0000 0.0000 64.3581 32.2019 176.7645 71 S 4.6210 7.5379 111.3810 56.6242 66.0915 173.5647 72 Q 4.0764 8.7865 121.1580 59.1046 28.7914 177.0873 73 E 4.2548 8.1492 114.5132 57.3430 30.4845 175.1323 74 N 5.6356 7.6286 116.2313 51.3683 40.9210 174.1556 75 F 5.4108 9.2876 125.5279 57.0504 42.7369 173.3083 76 S 5.1348 9.3349 121.6931 56.6205 66.0674 172.7410 77 L 4.5985 8.5883 123.2595 53.3429 44.7497 175.0340 78 T 4.8802 8.9664 122.9181 61.6859 71.5917 173.0450 79 L 4.5148 8.8379 127.3350 53.4086 42.3331 177.1732 80 E 3.7907 8.7489 126.3884 58.8261 30.6665 176.5756 81 S 4.6081 7.7899 114.2848 55.7536 64.4086 172.0702 82 A 4.5805 9.2123 128.4631 52.6092 19.4028 176.2161 83 T 4.7693 8.7166 111.8579 58.9914 71.8089 173.4111 84 P 4.4185 0.0000 0.0000 65.9475 31.5215 178.5673 85 S 4.2763 7.4706 111.7966 60.5033 62.9229 174.8013 86 Q 4.5588 8.2927 119.7714 56.0405 28.7150 175.4194 87 T 4.4972 7.7181 110.3638 61.8056 69.6581 174.4440 88 S 4.5651 8.2905 118.8966 58.4603 68.0202 174.8008 89 V 4.6410 7.7122 119.8508 62.0307 33.0280 174.6800 90 Y 5.1119 8.9647 126.2000 56.5537 40.1760 174.6013 91 F 5.2827 9.8033 122.8517 55.9034 42.5058 173.3981 92 C 4.9614 8.9130 122.7298 54.9368 44.5090 172.0240 93 A 5.9400 9.3422 125.7307 49.2822 22.6065 175.0155 94 S 5.3747 8.5741 113.7168 56.9488 66.8048 173.0798 95 G 4.3268 9.2456 106.9363 45.2764 0.0000 173.7445 96 G 4.1252 8.3334 110.8223 44.7489 0.0000 173.0847 97 G 3.9801 9.1351 107.7581 44.9625 0.0000 172.4441 98 G 3.6365 8.3751 112.3330 46.3907 0.0000 172.8811 *105 T 3.9262 7.7143 112.9396 62.7155 70.2235 173.7251 106 L 4.4537 8.0285 125.7172 53.4616 43.7357 175.4552 107 Y 4.5052 8.3989 119.9458 56.2414 40.6055 174.7822 108 F 5.2804 8.8831 122.8280 55.6586 41.4830 175.9657 109 G 4.1616 9.4106 109.9761 45.0827 0.0000 173.6867 110 A 4.3595 8.7372 121.8467 52.9613 18.8036 178.4781 111 G 3.5051 8.4957 102.0569 44.9074 0.0000 173.1543 112 T 4.7465 8.3654 116.2581 61.4908 71.9699 173.5627 113 R 4.5176 8.9661 127.1202 55.5294 31.6400 175.3606 114 L 5.2053 9.0490 126.9657 53.3179 44.8673 175.0017 115 S 5.0702 9.1952 122.9333 56.7416 65.5515 173.1180 116 V 4.6620 8.2917 124.8981 60.8678 31.8405 175.2599 117 L 4.1592 8.9153 129.5046 54.8488 42.7463 177.8891 118 S 4.3020 8.5899 118.3805 58.8825 62.9387 174.0783 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 E 8.44 4.23 0.00 2.01 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 2.30 2.32 0.00 2 A 8.53 4.47 1.30 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 0.00 0.00 3 A 8.12 4.21 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 4 V 7.89 4.81 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 1.08 0.00 0.00 1.02 0.00 0.00 5 T 9.12 4.81 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 1.24 0.00 0.00 6 Q 8.77 5.37 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 7 S 9.09 4.75 0.00 3.87 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 8 P 0.00 4.82 0.00 2.39 2.04 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 9 R 8.48 4.18 0.00 1.99 1.98 0.00 3.33 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 10 N 7.96 5.51 0.00 2.59 2.64 0.00 0.00 6.59 7.61 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 11 K 9.33 4.57 0.00 1.77 1.56 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.40 7.81 12 V 8.53 4.85 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 0.93 0.00 0.00 13 A 9.50 5.02 1.19 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 14 V 8.65 4.44 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 0.66 0.00 0.00 0.98 0.00 0.00 15 T 7.52 4.13 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 1.19 0.00 0.00 16 G 9.43 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 0.00 0.00 0.00 0.00 17 E 7.84 4.09 0.00 2.09 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 2.26 2.22 0.00 18 K 8.47 4.77 0.00 1.82 1.65 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.36 7.81 19 V 8.74 4.42 1.94 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 0.78 0.00 0.00 0.85 0.00 0.00 20 T 8.42 4.89 4.16 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 1.12 0.00 0.00 21 L 8.93 4.70 0.00 0.69 1.29 -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.36 5.28 0.00 3.89 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 23 C 8.92 5.41 0.00 2.87 3.14 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 24 N 9.42 5.84 0.00 2.87 2.64 0.00 0.00 6.31 7.04 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 25 Q 9.08 5.26 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 26 T 8.72 4.49 4.21 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.21 0.00 2.47 2.24 0.00 0.00 6.97 8.00 0.00 0.00 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 N 7.86 4.15 0.00 2.78 2.82 0.00 0.00 7.01 7.89 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 29 H 7.47 4.87 0.00 3.07 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.82 4.66 0.00 2.82 3.08 0.00 0.00 7.06 6.92 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 31 N 7.85 5.51 0.00 2.87 2.44 0.00 0.00 6.40 8.82 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 32 M 7.65 5.18 0.00 1.80 1.21 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 33 Y 9.35 5.48 0.00 3.11 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 34 W 9.95 5.45 0.00 3.26 3.03 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 35 Y 10.01 5.56 0.00 3.13 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 36 R 9.07 5.03 0.00 1.24 1.31 0.00 2.66 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 37 Q 9.14 4.76 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 38 D 9.13 4.31 0.00 2.70 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 39 T 7.28 4.53 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 1.17 0.00 0.00 40 G 8.21 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.03 4.96 0.00 3.15 2.85 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.84 4.03 0.00 1.97 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 2.31 2.34 0.00 43 L 8.43 4.58 0.00 1.30 1.51 0.52 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.00 4.85 0.00 1.79 1.85 0.00 3.16 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 45 L 8.52 3.84 0.00 1.39 1.42 0.62 1.01 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 46 I 9.24 4.13 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.57 0.00 0.00 47 Y 7.85 5.32 0.00 2.93 3.01 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 48 Y 9.11 5.42 0.00 2.56 3.03 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 49 S 8.35 4.45 0.00 3.10 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 50 Y 8.18 4.55 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 51 G 7.30 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 0.00 0.00 0.00 0.00 52 A 8.03 4.15 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 53 G 9.35 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 54 S 7.82 4.86 0.00 3.95 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 55 T 8.39 4.72 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 E 9.18 4.58 0.00 1.16 1.19 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 1.59 1.62 0.00 57 K 8.68 3.07 0.00 1.50 1.50 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.11 1.37 7.81 58 G 8.08 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.99 4.66 0.00 2.72 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 60 I 7.39 4.64 1.96 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 1.48 0.68 0.95 0.00 0.00 61 P 0.00 4.50 0.00 2.10 1.79 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 62 D 8.12 4.33 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 63 G 8.83 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 *65 Y 7.21 5.36 0.00 3.14 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 66 K 8.92 4.59 0.00 1.70 1.45 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.32 7.81 67 A 7.76 4.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 4.40 0.00 3.86 3.66 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 69 R 8.73 5.12 0.00 1.94 1.83 0.00 3.49 0.00 0.00 2.83 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 70 P 0.00 4.59 0.00 2.24 2.19 0.00 4.16 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 71 S 7.54 4.62 0.00 4.11 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 72 Q 8.79 4.08 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.09 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 73 E 8.15 4.25 0.00 2.37 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 0.00 2.35 2.28 0.00 74 N 7.63 5.64 0.00 2.78 2.83 0.00 0.00 6.65 7.33 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 75 F 9.29 5.41 0.00 2.97 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 76 S 9.33 5.13 0.00 3.97 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 77 L 8.59 4.60 0.00 0.27 0.13 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.97 4.88 4.10 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 1.16 0.00 0.00 79 L 8.84 4.51 0.00 1.43 1.42 0.72 0.60 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 80 E 8.75 3.79 0.00 1.88 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 2.24 2.32 0.00 81 S 7.79 4.61 0.00 3.82 3.60 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 0.00 0.00 0.00 82 A 9.21 4.58 1.30 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 0.00 0.00 83 T 8.72 4.77 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 1.23 0.00 0.00 84 P 0.00 4.42 0.00 2.20 2.18 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 85 S 7.47 4.28 0.00 4.20 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 86 Q 8.29 4.56 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 87 T 7.72 4.50 4.41 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 1.38 0.00 0.00 88 S 8.29 4.57 0.00 3.90 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 89 V 7.71 4.64 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 0.54 0.00 0.00 0.95 0.00 0.00 90 Y 8.96 5.11 0.00 3.02 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 91 F 9.80 5.28 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 92 C 8.91 4.96 0.00 1.32 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 93 A 9.34 5.94 0.76 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 94 S 8.57 5.37 0.00 3.97 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 95 G 9.25 4.33 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 0.00 96 G 8.33 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 97 G 9.14 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 98 G 8.38 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 *105 T 7.71 3.93 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 0.58 0.00 0.00 106 L 8.03 4.45 0.00 1.01 0.54 0.58 0.17 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 0.00 107 Y 8.40 4.51 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 5.28 0.00 2.88 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 0.00 109 G 9.41 4.16 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 0.00 0.00 0.00 110 A 8.74 4.36 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.50 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 0.00 112 T 8.37 4.75 4.35 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 1.24 0.00 0.00 113 R 8.97 4.52 0.00 1.95 1.89 0.00 3.21 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 114 L 9.05 5.21 0.00 1.75 1.73 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.20 5.07 0.00 3.77 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 0.00 116 V 8.29 4.66 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 0.82 0.00 0.00 0.97 0.00 0.00 117 L 8.92 4.16 0.00 1.76 1.58 0.92 0.62 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 0.00 118 S 8.59 4.30 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.