NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0491 8.1849 122.4393 54.5403 43.7865 177.3909 3 W 4.7829 7.3369 117.3449 56.4364 29.5048 174.4980 4 K 4.5599 10.0322 122.7158 56.5004 34.6897 176.5796 5 K 4.5268 8.0069 116.9413 55.1924 33.5962 175.8460 6 T 4.2659 8.1329 115.9917 61.4235 68.3783 173.7643 7 F 4.7344 7.2119 120.0213 55.2313 40.2275 173.4087 8 T 4.7458 7.9299 111.1229 59.2203 73.0957 174.8906 9 L 4.0346 8.5004 121.4103 57.8053 41.6771 179.3085 10 E 3.9162 8.1827 118.8106 59.3431 29.5762 178.2838 11 N 4.2848 8.0757 116.3386 56.4967 38.4707 177.1069 12 L 3.8884 8.1102 120.3126 58.2313 41.5307 179.6172 13 N 4.3541 8.3940 115.2970 56.2645 38.6997 177.2627 14 Q 4.1137 8.2937 119.7720 58.7951 28.5701 178.3559 15 L 3.9760 7.9717 120.6174 57.8627 42.2117 177.9169 16 C 4.4315 7.7255 114.7558 58.8521 28.4730 173.9020 17 S 4.3595 7.0463 115.4287 58.8800 63.3624 173.0733 18 N 4.1064 8.6912 117.5316 54.5930 37.2372 172.5671 19 S 4.6323 7.8666 110.4464 55.6450 66.9394 174.1557 20 A 3.9682 8.6385 120.5131 55.4858 17.8319 179.9250 21 V 3.4771 7.7159 116.6813 66.3151 31.6342 178.5356 22 S 4.1454 7.6428 113.6346 61.6702 62.6245 175.6863 23 H 4.1507 8.4147 121.3391 58.4908 29.5583 176.1475 24 L 4.4825 7.6810 118.2660 53.6906 41.6939 177.0882 25 G 3.9106 8.0728 106.8326 46.0408 0.0000 174.2282 26 I 4.1207 7.4953 120.4228 60.8206 37.8071 175.2501 27 E 4.7076 9.0514 125.3762 53.9965 32.0650 174.5721 28 I 4.3194 8.8216 128.0434 61.6721 36.8545 175.8474 29 S 4.8140 8.8331 121.4194 58.6033 65.3418 173.6805 30 A 4.6774 7.9948 120.0242 51.6859 22.2236 174.7355 31 F 4.4405 7.9191 112.7491 56.1048 40.7917 174.3783 32 G 3.5172 7.0840 108.7457 44.1526 0.0000 172.4074 33 E 4.0136 9.1412 119.8532 59.2011 29.5075 179.8264 34 D 4.4130 7.4344 114.2038 51.5499 39.9036 174.4093 35 W 5.9232 7.8965 114.6123 57.2640 31.8796 172.7206 36 I 5.2346 8.8725 119.2753 60.0882 41.1435 173.0677 37 E 5.9800 10.3447 126.2468 53.7176 33.8404 174.6357 38 A 5.2430 8.5052 122.0351 50.8507 23.2494 175.5908 39 T 5.6005 9.0417 111.2144 58.5171 72.2285 171.2167 *41 P 4.3329 0.0000 0.0000 63.2287 32.6775 176.7418 42 V 4.1784 8.4044 122.4690 62.3231 31.7379 174.0480 43 D 4.5745 8.4853 129.1255 53.1843 42.1247 175.4534 44 H 4.3528 8.9885 114.3577 58.2630 28.9039 176.6251 45 R 4.1408 8.3375 118.7502 57.9397 30.6083 176.7556 46 T 4.4936 7.8971 108.8415 60.8405 69.1082 173.4146 *48 Q 4.0544 7.6794 119.1200 55.7355 30.1210 174.9709 49 P 4.1952 0.0000 0.0000 65.7185 31.4127 177.3433 50 F 4.6356 7.1887 110.7475 56.8110 37.8056 175.9432 51 G 3.8533 8.0944 107.9910 46.1048 0.0000 173.8222 52 V 4.6432 7.0922 110.6311 58.3084 35.3418 175.2453 53 L 3.8632 8.7045 124.9196 56.0908 42.6905 176.3250 54 H 4.1025 9.2143 127.3249 55.9964 30.2855 176.5121 55 G 3.5161 8.8699 113.1596 47.5838 0.0000 175.6511 56 G 3.7334 8.2098 107.6366 47.6801 0.0000 175.7996 57 V 3.6992 7.6964 119.9577 65.5949 31.5472 178.0305 58 S 4.1191 8.0191 114.9774 61.6860 62.6108 176.8534 59 V 3.5897 7.8040 120.2385 65.8576 31.2301 177.9245 60 A 3.9935 7.8379 120.1857 54.9587 18.1830 179.3420 61 L 3.8667 8.2233 118.8087 58.2182 42.1921 179.1089 62 A 3.9817 8.1893 120.9758 55.2376 18.3486 179.2945 63 E 3.9108 8.6138 118.2758 59.3945 29.6601 179.0267 64 T 3.7457 7.9829 115.9769 66.8357 68.6155 176.3927 65 I 3.8069 7.7859 120.4317 63.7058 37.9135 178.1301 66 G 3.3009 8.0518 106.8729 47.5574 0.0000 176.0744 67 S 3.9317 7.8552 117.5178 60.9591 62.8531 176.3255 68 L 3.7090 7.6173 122.8031 58.0901 41.5875 178.7917 69 A 3.8136 7.2898 119.1730 55.0700 18.3152 179.4453 70 G 3.8439 7.4051 104.4518 48.0364 0.0000 176.0842 71 S 4.1998 8.0837 116.6775 61.0468 63.0285 176.3962 72 L 4.1262 7.9717 121.9854 56.7563 41.0316 177.9332 73 C 4.7945 7.7150 115.3497 58.8482 28.7205 173.0372 74 L 4.8861 7.0519 120.3332 52.5134 44.3128 176.3811 75 E 4.2668 8.4555 120.7660 55.8096 30.2439 176.4785 76 E 4.1133 8.4495 120.0400 58.2124 30.0922 178.1762 77 G 4.0207 9.1219 109.4398 45.0872 0.0000 172.8854 78 K 5.1271 7.5259 117.5923 55.1721 35.6606 175.5075 79 T 4.6443 8.7036 116.3317 61.3881 71.1835 172.2744 80 V 5.0944 8.3513 113.3979 59.6010 35.3187 175.6095 81 V 4.3726 8.6873 122.8724 60.6307 34.5734 174.9748 82 G 3.8948 8.9104 115.3697 47.2142 0.0000 172.3595 83 L 4.7731 8.8533 125.9772 56.2357 43.1155 176.4083 84 D 4.7731 7.7735 115.6805 52.7971 42.7640 173.4840 85 I 5.1573 8.0028 118.0237 60.0220 41.1203 173.0670 86 N 5.2806 9.0564 123.8419 51.6720 41.1296 172.8360 87 A 5.1275 8.3601 119.4834 51.0249 22.5660 175.1611 88 N 4.8994 9.0817 117.9742 51.7305 41.6628 173.5328 89 H 4.9654 8.6606 120.5082 55.0116 29.3080 174.7643 90 L 4.6460 8.9739 124.3515 56.0436 43.0450 177.3156 91 R 4.6553 7.5925 111.7927 54.0957 31.9793 172.8934 92 P 4.4609 0.0000 0.0000 62.5048 32.3100 176.1362 93 V 4.4444 8.1886 120.0878 61.3123 34.0331 176.0026 94 R 4.6347 8.2752 123.9906 56.0542 31.8478 174.9812 95 S 4.4005 7.9166 110.5028 58.4270 65.7555 175.3102 96 G 3.9201 8.4771 105.3747 45.6675 0.0000 172.0969 97 K 4.9574 8.3006 117.4129 54.7173 36.3122 176.0073 98 V 4.8577 8.2771 114.5206 60.0099 35.3582 174.6558 99 T 4.9507 8.9567 119.3617 61.8032 71.7408 172.7910 100 A 5.1183 9.0044 128.6877 50.2555 21.5255 175.1767 101 R 5.1918 8.9954 123.6738 54.6078 32.4625 174.4982 102 A 5.4564 9.2056 129.2556 51.1058 20.8709 175.9285 103 T 5.2690 9.2684 112.6374 59.1520 72.5080 171.6657 104 P 3.4861 0.0000 0.0000 62.9161 31.7827 175.6078 105 I 4.1176 8.0712 123.6941 62.8679 38.7207 176.0554 106 N 4.5690 7.4734 120.1563 52.5056 42.2607 172.8606 107 L 4.6994 8.5783 127.2057 53.3526 42.4178 176.2891 108 G 4.0248 8.5697 114.0555 43.5356 0.0000 172.4366 109 R 4.0818 8.5582 117.5018 58.5806 30.2374 177.8238 110 N 4.9019 8.1510 113.3889 53.2150 40.8719 174.2275 111 I 5.1391 7.5137 117.9385 59.4741 41.5124 174.3643 112 Q 5.0989 9.2243 125.0259 54.0620 32.1987 174.5967 113 V 4.9773 8.7978 122.8715 60.9399 34.4388 174.2608 114 W 5.0440 9.2860 127.1312 54.8847 32.9442 174.0409 115 Q 4.9300 9.3418 125.4998 55.0539 30.6438 174.2197 116 I 5.0921 9.0604 126.8771 59.6673 40.5830 173.9721 117 D 5.2866 8.9444 126.8197 52.5141 43.7067 175.0821 118 I 4.9434 8.7303 124.4290 59.6564 39.7415 175.0357 119 R 5.2590 9.0285 125.6514 54.4597 34.3511 175.4501 120 T 4.6908 8.8827 112.8530 60.5524 70.5941 175.4464 121 E 3.9941 8.4164 119.0568 58.6453 29.6793 178.0348 122 E 4.3237 8.1075 117.9062 56.1613 29.5386 176.0072 123 N 4.3402 8.1685 115.0156 54.0135 36.7480 173.9507 124 K 4.4070 7.6822 118.0393 54.5414 33.4539 176.0544 125 L 4.4824 8.4927 125.6770 55.4579 42.4310 175.9426 126 C 4.8259 9.0385 120.6419 58.5642 32.2770 173.1670 127 C 5.1570 7.7400 118.6620 58.4628 34.6753 172.7637 128 V 4.9792 8.5906 118.6747 59.8680 35.2378 174.5752 129 S 5.0658 8.8756 117.2120 56.9939 66.4294 172.5730 130 R 5.1861 9.0534 126.0822 54.4258 33.1842 173.8517 131 L 5.2648 9.1243 127.1962 53.5874 45.5756 174.8834 132 T 5.1302 9.1607 122.7512 61.8468 71.1448 173.2463 133 L 5.2277 9.2724 126.1452 52.9742 45.7309 175.1909 134 S 5.0383 8.9917 117.0844 56.8410 64.4221 172.9821 135 V 4.5982 8.9477 128.3810 62.0270 32.3482 175.0230 136 I 4.5439 8.8696 121.7273 59.0560 40.5071 174.0799 137 N 4.8341 8.7517 124.9831 52.5914 38.7038 174.5945 138 L 4.1417 8.9463 127.4367 57.3310 41.9221 178.9060 139 L 4.4956 8.7514 123.5905 53.2167 39.9515 175.8203 140 E 4.7399 8.4249 126.1736 57.3298 30.0564 176.6461 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 2 L 8.18 4.05 0.00 1.13 0.52 0.70 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.34 4.78 0.00 3.52 3.24 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 0.00 4 K 10.03 4.56 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.74 7.81 5 K 8.01 4.53 0.00 1.83 1.80 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.70 7.81 6 T 8.13 4.27 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 1.21 0.00 0.00 7 F 7.21 4.73 0.00 2.88 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 8 T 7.93 4.75 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 1.17 0.00 0.00 9 L 8.50 4.03 0.00 1.80 1.83 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.18 3.92 0.00 2.04 1.96 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 2.38 2.41 0.00 11 N 8.08 4.28 0.00 3.01 2.85 0.00 0.00 7.08 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 12 L 8.11 3.89 0.00 1.77 1.61 0.44 0.77 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 13 N 8.39 4.35 0.00 2.73 2.88 0.00 0.00 7.12 7.42 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 14 Q 8.29 4.11 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 15 L 7.97 3.98 0.00 1.57 1.85 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.73 4.43 0.00 3.08 2.90 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 17 S 7.05 4.36 0.00 3.96 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 18 N 8.69 4.11 0.00 2.77 2.84 0.00 0.00 6.77 7.63 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 19 S 7.87 4.63 0.00 3.97 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 20 A 8.64 3.97 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 21 V 7.72 3.48 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 1.02 0.00 0.00 0.90 0.00 0.00 22 S 7.64 4.15 0.00 4.19 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 0.00 23 H 8.41 4.15 0.00 3.23 3.56 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.68 4.48 0.00 1.66 1.64 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.07 3.91 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 0.00 0.00 0.00 26 I 7.50 4.12 2.01 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 1.17 0.56 0.95 0.00 0.00 27 E 9.05 4.71 0.00 1.93 1.75 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 2.20 2.40 0.00 28 I 8.82 4.32 1.86 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 1.40 0.84 0.87 0.00 0.00 29 S 8.83 4.81 0.00 3.88 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 30 A 7.99 4.68 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 31 F 7.92 4.44 0.00 2.95 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 32 G 7.08 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 0.00 0.00 0.00 33 E 9.14 4.01 0.00 2.01 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 2.32 2.30 0.00 34 D 7.43 4.41 0.00 2.76 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 35 W 7.90 5.92 0.00 3.63 3.35 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 36 I 8.87 5.23 1.92 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.80 0.99 0.00 0.00 37 E 10.34 5.98 0.00 2.16 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 2.38 2.62 0.00 38 A 8.51 5.24 1.21 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 0.00 0.00 0.00 39 T 9.04 5.60 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 1.24 0.00 0.00 *41 P 0.00 4.33 0.00 2.26 2.13 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 42 V 8.40 4.18 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 0.72 0.00 0.00 0.92 0.00 0.00 43 D 8.49 4.57 0.00 2.78 2.72 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 0.00 0.00 0.00 44 H 8.99 4.35 0.00 3.16 3.38 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.34 4.14 0.00 1.89 1.91 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 46 T 7.90 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 1.23 0.00 0.00 *48 Q 7.68 4.05 0.00 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.87 0.00 0.00 0.00 0.00 0.00 2.06 1.79 0.00 49 P 0.00 4.20 0.00 2.14 2.16 0.00 3.35 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 2.08 2.09 0.00 50 F 7.19 4.64 0.00 3.13 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 51 G 8.09 3.85 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 0.00 0.00 0.00 52 V 7.09 4.64 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 0.79 0.00 0.00 0.99 0.00 0.00 53 L 8.70 3.86 0.00 1.56 1.59 0.93 1.04 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 54 H 9.21 4.10 0.00 3.28 3.14 0.00 5.64 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 55 G 8.87 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 0.00 0.00 0.00 56 G 8.21 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.70 3.70 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 0.80 0.00 0.00 58 S 8.02 4.12 0.00 4.16 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 59 V 7.80 3.59 2.29 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 1.11 0.00 0.00 1.07 0.00 0.00 60 A 7.84 3.99 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 61 L 8.22 3.87 0.00 1.76 1.90 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.19 3.98 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 63 E 8.61 3.91 0.00 2.02 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 0.00 2.28 2.32 0.00 64 T 7.98 3.75 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 1.16 0.00 0.00 65 I 7.79 3.81 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 1.01 0.00 0.00 66 G 8.05 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 0.00 0.00 0.00 67 S 7.86 3.93 0.00 3.83 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 68 L 7.62 3.71 0.00 1.68 1.64 0.67 0.93 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 69 A 7.29 3.81 0.60 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 0.00 0.00 70 G 7.41 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 71 S 8.08 4.20 0.00 4.02 4.07 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 0.00 0.00 0.00 72 L 7.97 4.13 0.00 1.72 1.48 -0.62 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.71 4.79 0.00 3.36 3.13 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 74 L 7.05 4.89 0.00 1.77 1.58 0.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.46 4.27 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 2.43 2.37 0.00 76 E 8.45 4.11 0.00 1.96 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 2.34 2.28 0.00 77 G 9.12 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 78 K 7.53 5.13 0.00 1.82 1.71 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81 79 T 8.70 4.64 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 80 V 8.35 5.09 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 0.81 0.00 0.00 0.96 0.00 0.00 81 V 8.69 4.37 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 1.01 0.00 0.00 0.93 0.00 0.00 82 G 8.91 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.85 4.77 0.00 1.75 1.74 0.94 1.00 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 84 D 7.77 4.77 0.00 2.77 2.74 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 0.00 0.00 0.00 85 I 8.00 5.16 1.89 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 1.42 0.91 0.98 0.00 0.00 86 N 9.06 5.28 0.00 2.84 2.84 0.00 0.00 6.71 7.52 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 87 A 8.36 5.13 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 88 N 9.08 4.90 0.00 2.67 2.68 0.00 0.00 7.06 8.64 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 89 H 8.66 4.97 0.00 3.04 3.26 0.00 5.88 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 90 L 8.97 4.65 0.00 1.51 1.72 0.93 0.74 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 91 R 7.59 4.66 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 92 P 0.00 4.46 0.00 2.09 2.06 0.00 3.63 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 2.04 2.09 0.00 93 V 8.19 4.44 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 0.92 0.00 0.00 0.99 0.00 0.00 94 R 8.28 4.63 0.00 1.80 1.91 0.00 3.31 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 95 S 7.92 4.40 0.00 3.90 3.80 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 96 G 8.48 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 0.00 0.00 0.00 97 K 8.30 4.96 0.00 1.68 1.67 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.38 7.81 98 V 8.28 4.86 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 1.03 0.00 0.00 0.94 0.00 0.00 99 T 8.96 4.95 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 1.24 0.00 0.00 100 A 9.00 5.12 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 0.00 101 R 9.00 5.19 0.00 2.01 1.80 0.00 2.90 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 102 A 9.21 5.46 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 0.00 103 T 9.27 5.27 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 1.42 0.00 0.00 104 P 0.00 3.49 0.00 1.48 0.71 0.00 3.79 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 1.73 1.68 0.00 105 I 8.07 4.12 1.90 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 1.07 0.61 0.85 0.00 0.00 106 N 7.47 4.57 0.00 2.63 2.52 0.00 0.00 7.01 6.66 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 0.00 107 L 8.58 4.70 0.00 1.46 1.58 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.57 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 0.00 109 R 8.56 4.08 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 110 N 8.15 4.90 0.00 2.73 2.83 0.00 0.00 6.89 7.32 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 0.00 111 I 7.51 5.14 1.88 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 1.36 1.04 0.99 0.00 0.00 112 Q 9.22 5.10 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 113 V 8.80 4.98 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 1.09 0.00 0.00 0.93 0.00 0.00 114 W 9.29 5.04 0.00 3.31 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 0.00 115 Q 9.34 4.93 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 116 I 9.06 5.09 1.93 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 0.53 0.96 0.00 0.00 117 D 8.94 5.29 0.00 2.60 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 0.00 118 I 8.73 4.94 1.89 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 1.26 0.80 0.93 0.00 0.00 119 R 9.03 5.26 0.00 1.68 1.76 0.00 3.07 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 120 T 8.88 4.69 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 1.27 0.00 0.00 121 E 8.42 3.99 0.00 2.19 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 0.00 2.29 2.28 0.00 122 E 8.11 4.32 0.00 1.97 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 2.28 2.27 0.00 123 N 8.17 4.34 0.00 2.86 2.92 0.00 0.00 6.85 8.31 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 0.00 124 K 7.68 4.41 0.00 1.84 1.71 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.36 7.81 125 L 8.49 4.48 0.00 1.58 1.59 0.98 0.89 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 0.00 126 C 9.04 4.83 0.00 3.16 3.13 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 0.00 127 C 7.74 5.16 0.00 3.05 2.79 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 0.00 128 V 8.59 4.98 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 0.69 0.00 0.00 0.93 0.00 0.00 129 S 8.88 5.07 0.00 3.89 3.67 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 0.00 0.00 0.00 130 R 9.05 5.19 0.00 1.94 1.74 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 131 L 9.12 5.26 0.00 1.82 1.59 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.16 5.13 4.54 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 1.25 0.00 0.00 133 L 9.27 5.23 0.00 1.65 1.59 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.99 5.04 0.00 3.88 3.73 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 0.00 0.00 0.00 135 V 8.95 4.60 2.31 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 0.89 0.00 0.00 0.99 0.00 0.00 136 I 8.87 4.54 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 1.28 0.64 0.92 0.00 0.00 137 N 8.75 4.83 0.00 2.76 2.80 0.00 0.00 7.15 7.78 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 0.00 138 L 8.95 4.14 0.00 1.70 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.75 4.50 0.00 1.72 1.68 0.92 0.55 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 0.00 140 E 8.42 4.74 0.00 2.20 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 2.06 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.