NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4255 8.2893 120.3270 54.5812 33.3869 174.8202 4 P 4.3495 0.0000 0.0000 62.0707 32.4059 174.0545 5 R 4.9608 8.1209 116.6270 56.1942 31.1825 176.9235 6 Y 4.2770 6.7985 114.2822 55.5145 41.4825 173.0466 7 Y 4.8347 8.6127 121.9911 55.9348 41.2989 173.7100 8 E 5.0112 8.2276 127.1222 54.5469 31.9080 173.8887 9 Y 4.7247 9.0279 128.8102 56.0335 40.8691 174.2726 10 R 4.7652 8.1172 125.4123 54.8546 32.7112 175.3026 11 H 4.4787 8.5615 122.1003 54.8051 33.8108 172.0927 12 V 4.3689 7.9208 125.8779 61.3454 32.6148 175.5643 13 V 3.8974 8.6583 129.2663 63.4692 32.4466 175.8639 14 G 4.3053 9.1954 118.2326 44.1589 0.0000 172.6290 15 F 4.2215 8.8199 115.9486 59.2421 39.4986 177.8633 16 E 4.0366 8.3416 120.6386 58.9823 29.6920 177.3201 17 E 4.1613 8.2707 117.0414 57.5190 30.0608 176.0945 18 T 5.2615 7.6746 108.8066 59.0706 71.0299 173.6379 19 N 5.1751 8.0816 120.1691 50.6201 40.1628 174.4398 20 L 4.0005 8.5224 117.0247 59.2204 40.2477 178.8238 21 V 3.6855 7.6715 111.4291 62.5682 31.7158 176.7829 22 G 4.0218 8.2463 107.6390 44.6513 0.0000 172.7117 23 N 5.1089 7.7742 116.5593 50.6683 40.8866 173.8021 24 V 4.2632 8.2618 119.4967 62.7788 32.2174 175.3675 25 Y 4.3689 9.0579 130.4535 57.6513 39.5105 176.2207 26 Y 3.9315 8.2805 124.4143 60.2131 38.2331 178.7662 27 V 3.1238 5.7910 118.9263 65.7518 31.2461 177.4623 28 N 3.7194 7.7138 116.0517 56.2356 37.8995 176.8900 29 Y 4.1205 7.4449 117.1002 61.0189 38.0609 178.2324 30 L 4.1649 7.8473 119.5543 57.5517 41.8364 179.2624 31 R 3.8018 7.6361 118.7512 59.1618 29.9985 178.6584 32 W 4.5010 8.2412 118.8622 59.5906 28.8653 178.5606 33 Q 3.3812 7.7941 118.6661 58.5967 28.0220 178.9595 34 G 3.5453 7.8679 106.2826 47.6820 0.0000 175.6103 35 R 3.8042 7.9962 121.2198 59.1039 30.0657 178.1668 36 C 3.9556 8.2666 119.0810 62.4982 31.5491 175.7482 37 R 4.1768 8.4682 118.2971 59.3413 28.8869 178.5222 38 E 4.1234 8.4015 118.2560 59.2593 29.7908 178.9362 39 M 4.1871 8.2214 119.7199 57.8199 31.9544 178.4746 40 F 3.0997 8.1054 121.1687 60.9529 39.5049 177.1848 41 L 3.5660 7.6808 118.4184 57.7298 41.1435 178.8450 42 Y 4.0796 7.9432 118.8156 60.6757 38.8219 177.5374 43 E 3.9987 8.0804 117.8643 57.7210 29.9845 176.8170 44 H 4.6545 7.8080 112.8485 55.3744 31.2377 174.1902 45 A 4.5820 7.8462 123.7804 48.3776 19.8000 175.8319 46 P 4.1793 0.0000 0.0000 66.4677 31.4024 177.7214 47 E 4.2019 7.9961 118.9155 58.7987 29.2697 179.1681 48 I 3.7139 7.8636 119.8108 64.2891 36.9873 178.3730 49 L 4.0174 7.7466 119.6507 57.9413 41.2863 179.3181 50 D 4.3854 7.9360 118.3247 57.4170 40.7277 178.5422 51 E 4.0889 8.0912 119.0225 59.3528 29.2671 179.3522 52 L 4.4573 8.1028 119.5700 56.6030 41.7212 178.6819 53 R 4.3819 7.4940 115.5587 54.1736 30.6199 176.1090 54 A 4.4097 8.5936 121.0712 52.3060 19.2031 177.4358 55 D 4.8240 9.1622 126.9346 53.6025 42.2134 177.1296 56 L 4.6548 7.8645 122.7392 54.8824 43.5341 175.5173 57 K 4.7662 9.5530 124.8963 54.6125 36.1426 175.2612 58 L 4.8181 8.6900 124.3375 53.2592 42.9867 175.5323 59 F 4.5284 9.1219 128.3646 57.0964 40.8081 174.8679 60 T 4.5652 7.9394 123.7758 63.3189 68.0608 174.7425 61 L 4.4855 9.1338 128.5240 57.2770 42.6630 177.6972 62 K 4.6122 7.7267 117.2041 55.2998 35.5972 174.2284 63 A 5.2909 8.5359 127.7453 50.3593 22.1286 174.8466 64 E 4.7688 9.1785 118.6634 55.6523 33.6171 173.6581 65 C 4.8321 8.2708 119.6427 58.1163 34.8358 172.3364 66 E 4.2647 8.8678 126.8176 54.1329 31.9436 174.2492 67 F 4.5610 8.2120 124.2872 55.7301 40.6487 175.1857 68 F 5.0977 8.8523 121.1803 58.4154 41.3036 174.9614 69 A 4.5760 7.7704 118.2954 51.4363 21.4526 174.2128 70 E 4.9925 8.6419 114.8355 54.9037 32.8018 175.8393 71 L 5.1601 8.6079 119.8474 53.0891 45.7180 175.4497 72 A 5.1545 9.2481 123.5063 48.8172 22.9098 173.9218 73 P 4.1271 0.0000 0.0000 64.3098 31.3527 177.1885 74 F 4.3352 9.1013 118.1643 57.8543 37.9374 175.3061 75 D 4.6067 7.9199 121.3124 54.4060 42.1742 175.4728 76 R 4.5778 8.4851 120.7506 54.9543 31.8935 174.9335 77 L 5.0174 8.9042 126.5627 53.1392 44.8874 174.8483 78 A 4.8204 8.8948 126.9861 50.1342 22.0635 174.9414 79 V 4.4570 9.0292 123.8070 61.5631 33.6397 174.6543 80 R 4.9413 8.8228 128.6208 54.9064 31.8831 175.0520 81 M 4.6626 9.1994 124.8773 53.8754 34.4528 174.9102 82 R 4.5446 8.3561 123.8536 54.0483 34.9199 174.5022 83 L 4.2695 8.1421 123.7624 54.2031 41.7156 176.3159 84 V 3.8048 8.4428 128.2432 65.5807 32.2893 175.9261 85 E 4.7150 7.6532 118.8966 54.8866 33.2470 174.0334 86 L 4.9639 8.3722 126.6703 53.7511 44.4830 175.3286 87 T 4.7249 8.3948 119.5593 60.1218 71.4519 173.6613 88 Q 4.1260 8.7529 120.7563 59.3039 29.3696 177.8675 89 T 4.8782 7.8989 104.2819 61.1697 70.7610 173.2953 90 Q 5.3806 8.5246 121.1134 54.6462 33.6866 173.8807 91 M 5.2625 9.0693 116.9068 53.8531 35.2835 173.3618 92 E 5.1066 9.4539 122.0609 54.4732 32.6889 174.3666 93 L 4.8656 9.0938 127.0510 52.8016 44.8576 175.5690 94 G 4.3120 8.6146 110.2566 44.4262 0.0000 172.2820 95 F 5.2431 9.1899 121.5205 55.5215 42.6954 173.5298 96 D 5.2961 9.0155 124.0565 52.7492 43.5755 174.9218 97 Y 5.1094 9.1738 121.2256 56.5034 40.1564 174.5672 98 L 5.2532 9.2858 125.2955 52.8566 45.0403 175.8800 99 R 4.6912 9.0771 124.9782 55.0633 31.1143 175.2352 100 L 4.7665 8.1131 128.3509 53.5224 41.7578 176.3949 101 G 3.7698 8.3759 116.8262 44.5590 0.0000 174.0659 102 G 3.7791 9.1063 110.2753 48.0004 0.0000 172.6745 103 D 4.9440 7.7448 118.7059 51.7634 44.5531 173.7812 104 D 5.1155 8.3796 123.8733 53.5825 42.9440 174.9652 105 L 4.9103 8.4573 123.7352 53.0853 45.3387 175.1921 106 L 4.8633 8.7057 128.5353 54.9273 41.6462 176.3734 107 V 4.2375 9.0743 121.1618 63.4698 33.1630 175.8650 108 A 4.2273 7.9953 120.1585 51.2439 22.8225 175.0122 109 R 5.2650 8.2292 118.9479 55.4718 34.0831 174.2642 110 G 4.5775 9.8158 112.6978 45.3548 0.0000 170.6068 111 R 5.4556 8.8675 117.7374 55.5351 33.9829 173.8404 112 Q 5.2484 9.3416 122.3145 54.2343 33.7608 173.8652 113 R 5.0565 9.0739 122.7601 54.6815 32.8815 174.4498 114 I 5.2679 9.1780 126.5433 59.4591 41.2965 174.1617 115 A 5.2015 9.2452 127.4469 50.3901 22.2015 174.9261 116 C 4.9452 8.9085 119.6748 59.2500 29.9177 172.9755 117 M 5.3572 9.2224 122.4558 53.7637 36.4692 174.5788 118 R 5.0157 9.4021 118.8272 55.5553 35.0162 174.0842 119 G 4.0067 8.2318 107.2848 43.2176 0.0000 171.8475 120 P 4.5261 0.0000 0.0000 61.6389 32.2418 175.5888 121 N 4.4376 8.5597 117.2994 55.4231 38.7615 175.5300 122 G 4.0248 10.0157 111.3958 45.2785 0.0000 173.1982 123 R 4.7974 7.9326 119.9592 55.2779 28.8618 174.8436 124 T 4.7082 7.7904 109.1267 61.0159 71.1409 175.4153 125 E 4.9100 9.1939 122.6622 53.6562 33.6411 173.6473 126 P 4.8677 0.0000 0.0000 63.2594 32.2013 175.7074 127 V 4.6522 8.2576 114.2279 59.4945 36.0106 175.4447 128 R 4.3477 8.5340 120.7495 56.0229 30.8924 176.9967 129 V 3.7495 8.4141 122.6312 62.3832 32.2308 174.2400 130 P 4.1850 0.0000 0.0000 63.1469 32.0704 176.7470 131 A 4.1179 8.9942 124.3256 55.5139 18.2106 180.2546 132 G 3.4934 8.0062 103.5152 47.7592 0.0000 175.5645 133 L 3.7136 7.7232 122.1686 57.7224 42.0011 178.8450 134 V 3.7754 7.6058 117.0914 66.3649 31.7916 177.9121 135 R 4.0351 8.2051 117.4815 59.2055 29.6677 178.9178 136 A 3.9780 7.6502 119.4372 54.4335 18.5809 178.7880 137 F 4.6890 7.9325 114.5832 58.0348 39.2160 177.2185 138 A 4.0239 7.7169 122.3705 54.9812 17.9775 177.9669 139 P 4.3529 0.0000 0.0000 64.9580 31.4706 177.3015 140 F 4.9847 7.7330 116.0105 56.8710 40.0332 176.2207 141 R 4.1626 7.3888 118.5889 55.8842 30.5707 177.0382 142 S 4.2070 8.7331 117.0364 61.2179 63.5299 175.4377 143 A 4.0035 7.9716 125.1137 55.0335 19.0200 177.7126 *144 T 4.1583 7.6777 110.6690 61.0432 69.2377 175.8631 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 3 M 8.29 4.43 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 4 P 0.00 4.35 0.00 1.06 1.62 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 5 R 8.12 4.96 0.00 1.87 2.03 0.00 3.22 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 6 Y 6.80 4.28 0.00 2.76 2.64 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 7 Y 8.61 4.83 0.00 3.36 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.23 5.01 0.00 2.18 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 9 Y 9.03 4.72 0.00 3.22 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 10 R 8.12 4.77 0.00 1.54 1.61 0.00 3.18 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 11 H 8.56 4.48 0.00 2.35 2.38 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.92 4.37 1.98 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 0.80 0.00 0.00 0.83 0.00 0.00 13 V 8.66 3.90 2.20 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 0.76 0.00 0.00 0.94 0.00 0.00 14 G 9.20 4.31 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 0.00 15 F 8.82 4.22 0.00 3.14 3.11 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 16 E 8.34 4.04 0.00 1.99 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 2.29 2.34 0.00 17 E 8.27 4.16 0.00 2.18 1.93 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 2.55 2.41 0.00 18 T 7.67 5.26 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 1.14 0.00 0.00 19 N 8.08 5.18 0.00 2.73 2.83 0.00 0.00 5.81 6.67 0.00 0.00 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 L 8.52 4.00 0.00 1.76 1.84 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.67 3.69 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 0.72 0.00 0.00 1.09 0.00 0.00 22 G 8.25 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 0.00 0.00 0.00 23 N 7.77 5.11 0.00 3.02 3.10 0.00 0.00 5.93 7.68 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 24 V 8.26 4.26 2.24 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 0.60 0.00 0.00 1.09 0.00 0.00 25 Y 9.06 4.37 0.00 2.90 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 26 Y 8.28 3.93 0.00 2.23 2.51 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 27 V 5.79 3.12 1.79 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 0.87 0.00 0.00 0.05 0.00 0.00 28 N 7.71 3.72 0.00 2.07 1.42 0.00 0.00 6.98 7.56 0.00 0.00 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 Y 7.44 4.12 0.00 3.20 2.80 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 0.00 0.00 0.00 30 L 7.85 4.16 0.00 1.77 1.68 0.98 1.06 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 31 R 7.64 3.80 0.00 1.70 1.71 0.00 3.01 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 32 W 8.24 4.50 0.00 3.84 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 33 Q 7.79 3.38 0.00 1.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.58 2.46 0.00 34 G 7.87 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 0.00 0.00 0.00 35 R 8.00 3.80 0.00 1.92 1.83 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.01 0.00 36 C 8.27 3.96 0.00 3.06 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 37 R 8.47 4.18 0.00 2.27 2.53 0.00 2.97 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 38 E 8.40 4.12 0.00 2.26 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 2.63 2.39 0.00 39 M 8.22 4.19 0.00 2.41 2.41 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.86 0.00 40 F 8.11 3.10 0.00 2.27 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 41 L 7.68 3.57 0.00 1.85 1.62 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.94 4.08 0.00 2.96 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 43 E 8.08 4.00 0.00 1.74 1.79 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 2.41 2.75 0.00 44 H 7.81 4.65 0.00 2.11 2.90 0.00 5.68 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 45 A 7.85 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.18 0.00 2.17 2.15 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 47 E 8.00 4.20 0.00 2.02 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 2.27 0.00 48 I 7.86 3.71 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.90 0.00 0.00 49 L 7.75 4.02 0.00 1.93 1.75 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.94 4.39 0.00 2.87 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 51 E 8.09 4.09 0.00 2.21 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 2.32 2.51 0.00 52 L 8.10 4.46 0.00 1.79 1.76 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.49 4.38 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 54 A 8.59 4.41 1.15 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 0.00 0.00 0.00 0.00 0.00 55 D 9.16 4.82 0.00 2.76 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 56 L 7.86 4.65 0.00 1.82 1.64 1.02 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.55 4.77 0.00 1.88 1.73 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.48 7.81 58 L 8.69 4.82 0.00 1.57 1.70 1.00 0.91 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 59 F 9.12 4.53 0.00 3.11 2.94 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 60 T 7.94 4.57 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 1.21 0.00 0.00 61 L 9.13 4.49 0.00 1.71 1.84 1.01 0.94 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 62 K 7.73 4.61 0.00 1.83 1.62 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 A 8.54 5.29 1.18 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 0.00 0.00 0.00 64 E 9.18 4.77 0.00 2.00 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 2.41 2.26 0.00 65 C 8.27 4.83 0.00 2.81 2.38 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 66 E 8.87 4.26 0.00 1.80 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 1.81 2.10 0.00 67 F 8.21 4.56 0.00 2.68 2.60 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 68 F 8.85 5.10 0.00 3.05 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 69 A 7.77 4.58 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 70 E 8.64 4.99 0.00 1.89 1.91 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 2.23 2.34 0.00 71 L 8.61 5.16 0.00 1.76 1.63 1.03 0.76 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 72 A 9.25 5.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.13 0.00 0.77 1.10 0.00 3.69 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 74 F 9.10 4.34 0.00 3.09 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.61 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 76 R 8.49 4.58 0.00 1.87 1.77 0.00 3.03 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 77 L 8.90 5.02 0.00 1.42 1.32 1.01 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.89 4.82 1.12 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 79 V 9.03 4.46 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 0.88 0.00 0.00 0.94 0.00 0.00 80 R 8.82 4.94 0.00 1.44 1.28 0.00 2.69 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.00 81 M 9.20 4.66 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.10 0.00 82 R 8.36 4.54 0.00 1.54 1.58 0.00 3.07 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.00 83 L 8.14 4.27 0.00 1.23 1.45 0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.44 3.80 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 0.71 0.00 0.00 0.85 0.00 0.00 85 E 7.65 4.71 0.00 2.01 1.67 0.00 0.00 0.00 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 2.28 0.00 86 L 8.37 4.96 0.00 1.46 1.47 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.39 4.72 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 1.22 0.00 0.00 88 Q 8.75 4.13 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 89 T 7.90 4.88 4.37 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 1.24 0.00 0.00 90 Q 8.52 5.38 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 91 M 9.07 5.26 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 92 E 9.45 5.11 0.00 1.96 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 2.14 2.41 0.00 93 L 9.09 4.87 0.00 1.44 0.96 1.06 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.61 4.31 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 0.00 95 F 9.19 5.24 0.00 2.89 2.51 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 96 D 9.02 5.30 0.00 2.45 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 97 Y 9.17 5.11 0.00 3.16 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 98 L 9.29 5.25 0.00 1.47 1.54 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 99 R 9.08 4.69 0.00 1.92 1.87 0.00 3.23 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 100 L 8.11 4.77 0.00 1.53 1.58 0.86 0.80 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 0.00 101 G 8.38 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 0.00 0.00 0.00 102 G 9.11 3.78 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 0.00 0.00 0.00 103 D 7.74 4.94 0.00 2.64 2.47 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 0.00 104 D 8.38 5.12 0.00 2.64 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 0.00 105 L 8.46 4.91 0.00 1.79 1.51 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.71 4.86 0.00 1.73 1.67 1.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.07 4.24 2.28 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 0.77 0.00 0.00 1.28 0.00 0.00 108 A 8.00 4.23 0.53 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 0.00 0.00 109 R 8.23 5.26 0.00 2.16 1.86 0.00 3.23 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 110 G 9.82 4.58 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 0.00 111 R 8.87 5.46 0.00 1.93 1.78 0.00 3.02 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 112 Q 9.34 5.25 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 113 R 9.07 5.06 0.00 1.92 1.80 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 114 I 9.18 5.27 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 1.01 0.00 0.00 115 A 9.25 5.20 1.29 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 0.00 0.00 0.00 116 C 8.91 4.95 0.00 3.12 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 0.00 117 M 9.22 5.36 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.68 0.00 118 R 9.40 5.02 0.00 1.70 1.75 0.00 3.11 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 119 G 8.23 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 0.00 0.00 0.00 120 P 0.00 4.53 0.00 2.24 2.19 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 121 N 8.56 4.44 0.00 2.73 2.85 0.00 0.00 7.18 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 0.00 122 G 10.02 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 0.00 0.00 0.00 123 R 7.93 4.80 0.00 1.72 1.81 0.00 3.25 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 124 T 7.79 4.71 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 1.31 0.00 0.00 125 E 9.19 4.91 0.00 1.80 1.82 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 2.20 2.35 0.00 126 P 0.00 4.87 0.00 2.07 2.03 0.00 3.69 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 1.98 1.98 0.00 127 V 8.26 4.65 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 0.75 0.00 0.00 1.00 0.00 0.00 128 R 8.53 4.35 0.00 1.71 1.89 0.00 3.23 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 129 V 8.41 3.75 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 0.86 0.00 0.00 1.07 0.00 0.00 130 P 0.00 4.18 0.00 2.21 1.99 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 131 A 8.99 4.12 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 0.00 132 G 8.01 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.71 0.00 1.68 1.83 0.44 0.96 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 0.00 134 V 7.61 3.78 2.28 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 0.95 0.00 0.00 1.11 0.00 0.00 135 R 8.21 4.04 0.00 2.00 1.92 0.00 3.15 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 136 A 7.65 3.98 1.14 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 0.00 0.00 137 F 7.93 4.69 0.00 3.37 2.95 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 0.00 138 A 7.72 4.02 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 0.00 139 P 0.00 4.35 0.00 2.20 2.11 0.00 3.53 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.70 0.00 140 F 7.73 4.98 0.00 3.07 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 0.00 141 R 7.39 4.16 0.00 1.97 1.96 0.00 3.22 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 142 S 8.73 4.21 0.00 3.97 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 0.00 143 A 7.97 4.00 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 *144 T 7.68 4.16 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.