NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9021 8.3393 109.7287 45.1153 0.0000 173.7385 4 R 3.7650 8.2531 118.9905 54.0604 30.3566 173.7751 5 T 4.7207 8.8142 110.3729 59.7461 73.6071 173.6420 6 W 5.3777 8.4125 119.5801 55.1292 33.9055 174.5687 7 R 5.2719 8.6690 120.4824 54.4429 34.4261 173.8261 8 E 5.3750 9.1392 117.1502 54.9483 33.5310 174.4485 9 A 5.1203 8.9630 120.9692 50.4687 23.0831 175.5591 10 D 5.0553 9.1606 120.1108 54.4846 41.7883 176.2249 11 I 4.6158 8.0060 121.2809 60.3347 40.8242 175.1915 12 N 4.3149 8.9972 121.1016 54.3485 35.5479 173.3600 13 Y 4.4368 8.0978 119.7148 57.1823 38.8118 173.6373 14 T 3.9310 7.4226 118.4404 61.7440 70.3469 174.9336 15 S 4.2681 7.1439 116.5431 55.9740 67.7103 174.7207 16 G 3.9277 8.5634 105.4586 45.3667 0.0000 173.7139 17 F 4.6765 8.2483 122.2847 57.1335 39.6404 175.5070 18 R 4.1341 8.8659 123.6266 56.6333 30.5436 175.9533 19 N 5.0443 8.4218 117.7167 51.7100 40.0386 174.5512 20 S 4.6028 8.4109 111.7881 58.7622 64.5582 172.9102 21 D 5.2823 7.9975 122.2960 53.6899 42.1125 175.8365 22 R 4.9004 9.0489 121.8576 54.4149 35.2191 173.7378 23 I 4.8863 8.9530 121.7427 59.2852 40.9294 174.0754 24 L 5.3528 9.7004 130.2353 53.0704 44.4378 175.0164 25 Y 5.7064 8.8035 121.4775 55.4283 41.5257 175.3308 26 S 4.1995 8.4603 118.0370 56.4246 65.1104 175.2646 27 S 3.4357 8.0599 114.9647 60.5013 62.6130 174.8183 28 D 4.6378 7.4247 118.6869 52.2456 39.2454 175.9659 29 W 3.6919 7.2077 117.0753 58.0410 27.2636 174.4769 30 L 4.3604 7.4282 117.6409 55.1625 42.4641 176.4762 31 I 5.4566 8.5000 122.4752 60.0800 41.0906 173.9339 32 Y 5.3616 9.8729 123.9838 56.0643 42.5044 174.4305 33 K 5.1495 9.6510 120.3479 55.5068 36.5626 174.8077 34 T 4.7882 8.8731 115.5109 60.4119 70.6598 174.1065 35 T 4.8438 8.7771 115.4577 60.3283 69.2582 173.4408 36 D 4.7217 7.1609 121.4599 53.6725 40.2958 174.6591 37 H 3.4448 8.6001 114.1592 58.7615 28.2599 174.3455 38 Y 3.1073 7.3792 112.5979 58.5967 36.4882 171.5115 39 Q 4.1370 7.7300 119.4217 58.5483 28.9204 176.6908 40 T 4.7333 7.6710 105.0474 59.6590 71.8715 172.8270 41 F 5.1848 8.7385 120.4877 56.1101 42.5687 174.5517 42 T 4.7823 9.3885 118.6211 61.5449 71.4068 173.6103 43 K 3.3893 8.6847 127.2904 56.0360 33.3044 176.1868 44 I 4.1143 9.8422 128.0010 61.5368 38.2659 174.5011 45 R 4.1874 8.2701 135.0000 55.7087 29.8140 172.5428 *53 F 4.2300 7.3110 120.9545 57.5803 40.8821 173.7068 54 D 4.8529 7.3325 126.5899 52.1057 43.3636 176.6567 55 G 3.6841 8.5882 114.2942 47.8908 0.0000 175.3046 56 V 3.7587 8.0057 119.7688 65.2705 31.4792 178.0744 57 A 3.9336 8.0270 120.3757 55.0489 18.2150 178.6443 58 D 4.1502 7.7693 116.5604 57.6932 41.2546 177.9989 59 Y 3.7982 7.8190 119.2291 60.6080 38.8352 177.7527 60 L 3.9825 8.1744 120.0052 58.0729 41.5770 179.6022 61 Q 3.9546 8.3148 116.4388 59.2765 28.7484 178.9712 62 T 3.5678 7.4549 115.3142 66.2332 68.5606 175.7430 63 Y 4.3158 7.1076 114.8573 56.6069 39.2178 175.1865 64 H 2.0000 7.3516 116.7272 54.9152 26.7774 173.8667 65 K 4.6288 6.9616 113.8646 56.0760 35.0227 175.0971 66 L 4.1165 8.4161 119.7970 53.6707 42.2312 175.3955 67 P 3.8049 0.0000 0.0000 63.1949 31.8016 177.2548 68 D 4.8018 8.3797 116.4952 53.9982 39.8123 175.5733 69 N 4.9203 7.9962 116.3373 53.8087 38.5062 173.7062 70 Y 5.1730 7.9738 116.4291 56.5827 40.6945 175.1038 71 I 4.9756 8.6696 115.9704 59.0185 41.4603 175.2680 72 T 4.5780 8.4810 114.5231 61.4425 69.4438 175.4161 73 K 3.9831 9.0817 123.0350 59.7433 32.4875 179.3496 74 S 4.3855 8.2224 113.8813 61.8094 62.7230 176.2601 75 E 4.0002 8.0726 122.1697 58.9768 29.3808 179.2244 76 A 4.0970 8.1707 120.2208 54.2307 18.1580 178.5697 77 Q 4.5770 7.9258 115.9016 56.9114 29.6778 176.2729 78 A 4.6446 7.5610 119.2411 52.1397 19.4182 176.8179 79 L 4.4697 7.6643 116.7077 54.5803 41.8749 176.8499 80 G 3.8153 8.3228 105.4394 45.9461 0.0000 173.8216 81 W 4.4819 8.1371 129.9973 56.8115 30.6756 175.8497 82 V 3.7589 8.9891 127.4366 60.7154 31.5466 175.7202 83 A 3.2013 7.5357 131.2297 55.1587 17.9660 179.1556 84 S 4.5204 7.7121 106.1355 59.3260 63.4169 174.6291 85 K 4.1552 8.2182 122.9254 56.6646 32.2194 176.2834 86 G 3.6122 8.0853 106.6344 47.0547 0.0000 174.0677 87 N 5.0554 8.2597 113.5636 52.0164 38.3741 175.6935 88 L 3.9886 8.4816 122.3554 58.7613 41.8412 178.4290 89 A 4.3904 8.1374 117.7405 54.0078 18.3815 177.9643 90 D 4.6220 8.1324 116.8465 55.7456 41.9782 178.4829 91 V 4.3356 7.7995 110.5326 61.5296 32.3968 175.9145 92 A 4.4598 8.4693 121.3108 49.4723 19.7888 172.6968 93 P 4.4171 0.0000 0.0000 64.2977 31.9766 177.5811 94 G 3.9863 8.8586 111.4722 45.3876 0.0000 173.8149 95 K 4.5008 7.1542 117.1185 56.3283 33.0580 176.6281 96 S 4.7468 8.4375 117.5228 56.4516 67.3396 173.7068 97 I 4.1954 7.9660 122.4963 60.8044 38.0505 175.6342 98 G 4.4232 8.9104 114.9861 47.1314 0.0000 173.1984 99 G 4.4267 9.3907 109.5012 44.3728 0.0000 173.8197 100 D 4.7402 7.8796 119.7567 53.4664 42.4652 175.8927 101 I 4.0442 8.4608 122.4382 62.1887 37.8590 175.0178 102 F 4.7997 9.1375 128.9922 56.6615 40.8004 175.1745 103 S 4.1323 8.2746 121.3742 58.0406 63.6310 173.3206 104 N 3.4577 5.7700 118.5428 54.3307 36.9141 175.6584 105 R 3.7100 7.2069 116.5243 58.9367 30.4942 178.0504 106 E 4.2131 8.1237 115.4378 55.5152 29.8051 176.6186 107 G 4.5405 7.9059 106.8154 46.3298 0.0000 175.3752 108 K 4.0629 7.4403 120.0860 57.8056 32.3871 177.5696 109 L 3.9225 7.2771 118.8397 51.7246 42.7442 174.7266 110 P 4.2330 0.0000 0.0000 62.0692 31.7118 174.2326 111 G 3.4440 9.8637 111.1289 45.6294 0.0000 173.0466 112 K 4.2058 8.4300 125.4328 56.6441 31.5555 176.3844 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 G 8.34 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 0.00 0.00 0.00 4 R 8.25 3.76 0.00 1.72 1.74 0.00 3.14 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 5 T 8.81 4.72 4.17 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 1.14 0.00 0.00 6 W 8.41 5.38 0.00 3.58 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 7 R 8.67 5.27 0.00 0.67 1.49 0.00 3.00 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 8 E 9.14 5.37 0.00 2.01 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 2.36 2.37 0.00 9 A 8.96 5.12 1.11 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 10 D 9.16 5.06 0.00 2.71 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 11 I 8.01 4.62 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.95 0.00 0.00 12 N 9.00 4.31 0.00 2.94 3.00 0.00 0.00 6.92 7.46 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 13 Y 8.10 4.44 0.00 2.84 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 14 T 7.42 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 1.12 0.00 0.00 15 S 7.14 4.27 0.00 3.82 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 16 G 8.56 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 0.00 0.00 0.00 17 F 8.25 4.68 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 18 R 8.87 4.13 0.00 1.94 1.93 0.00 3.39 0.00 0.00 3.58 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.68 0.00 19 N 8.42 5.04 0.00 2.83 2.93 0.00 0.00 6.02 7.64 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 20 S 8.41 4.60 0.00 3.95 4.05 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 0.00 0.00 0.00 21 D 8.00 5.28 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 9.05 4.90 0.00 1.48 1.82 0.00 3.62 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.00 23 I 8.95 4.89 1.94 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 1.32 1.87 1.04 0.00 0.00 24 L 9.70 5.35 0.00 1.41 1.30 0.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.80 5.71 0.00 3.04 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 26 S 8.46 4.20 0.00 2.83 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 27 S 8.06 3.44 0.00 3.75 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 28 D 7.42 4.64 0.00 2.75 2.67 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 29 W 7.21 3.69 0.00 3.41 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.43 4.36 0.00 1.45 1.95 1.12 0.68 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 31 I 8.50 5.46 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.33 1.03 0.00 0.00 32 Y 9.87 5.36 0.00 2.77 2.87 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 33 K 9.65 5.15 0.00 1.75 1.91 0.00 1.25 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 34 T 8.87 4.79 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 0.79 0.00 0.00 35 T 8.78 4.84 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 1.18 0.00 0.00 36 D 7.16 4.72 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.60 3.44 0.00 3.23 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.38 3.11 0.00 3.18 3.26 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 39 Q 7.73 4.14 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 40 T 7.67 4.73 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 1.20 0.00 0.00 41 F 8.74 5.18 0.00 2.90 3.08 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 42 T 9.39 4.78 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 1.22 0.00 0.00 43 K 8.68 3.39 0.00 1.24 1.48 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.13 0.64 7.81 44 I 9.84 4.11 1.92 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 1.05 0.71 0.82 0.00 0.00 45 R 8.27 4.19 0.00 1.84 1.99 0.00 3.43 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.28 0.00 *53 F 7.31 4.23 0.00 3.08 3.05 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 0.00 0.00 0.00 54 D 7.33 4.85 0.00 2.61 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 0.00 0.00 0.00 0.00 55 G 8.59 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.01 3.76 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 1.04 0.00 0.00 1.02 0.00 0.00 57 A 8.03 3.93 1.27 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 58 D 7.77 4.15 0.00 2.64 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 59 Y 7.82 3.80 0.00 3.14 3.08 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 60 L 8.17 3.98 0.00 1.91 1.82 0.66 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.31 3.95 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 62 T 7.45 3.57 2.73 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 0.52 0.00 0.00 63 Y 7.11 4.32 0.00 2.35 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.35 2.00 0.00 2.72 2.33 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 6.96 4.63 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.69 7.81 66 L 8.42 4.12 0.00 1.69 1.54 0.87 0.42 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 67 P 0.00 3.80 0.00 2.34 1.36 0.00 3.36 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 1.97 1.09 0.00 68 D 8.38 4.80 0.00 2.70 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 69 N 8.00 4.92 0.00 2.71 2.94 0.00 0.00 6.80 7.41 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 70 Y 7.97 5.17 0.00 2.85 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 71 I 8.67 4.98 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.91 0.00 0.00 72 T 8.48 4.58 4.47 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 1.31 0.00 0.00 73 K 9.08 3.98 0.00 1.90 2.24 0.00 1.87 0.00 0.00 1.99 0.00 0.00 3.27 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.81 1.67 7.81 74 S 8.22 4.39 0.00 4.10 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 75 E 8.07 4.00 0.00 2.20 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 2.36 2.37 0.00 76 A 8.17 4.10 1.10 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 0.00 0.00 77 Q 7.93 4.58 0.00 2.67 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 78 A 7.56 4.64 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 79 L 7.66 4.47 0.00 1.71 1.72 0.99 1.01 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 80 G 8.32 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.14 4.48 0.00 3.33 3.21 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 82 V 8.99 3.76 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 0.89 0.00 0.00 0.89 0.00 0.00 83 A 7.54 3.20 0.66 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 0.00 0.00 84 S 7.71 4.52 0.00 3.99 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 85 K 8.22 4.16 0.00 1.69 1.99 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.38 7.81 86 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.26 5.06 0.00 2.91 3.05 0.00 0.00 5.73 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 88 L 8.48 3.99 0.00 1.68 1.87 0.20 0.57 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 89 A 8.14 4.39 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 90 D 8.13 4.62 0.00 2.85 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 91 V 7.80 4.34 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 0.89 0.00 0.00 1.13 0.00 0.00 92 A 8.47 4.46 1.16 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 93 P 0.00 4.42 0.00 2.03 1.98 0.00 3.71 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 2.02 2.22 0.00 94 G 8.86 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 95 K 7.15 4.50 0.00 1.61 1.64 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.37 7.81 96 S 8.44 4.75 0.00 3.00 3.56 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 0.00 0.00 0.00 0.00 97 I 7.97 4.20 1.75 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.11 0.90 0.00 0.00 98 G 8.91 4.42 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 0.00 0.00 0.00 99 G 9.39 4.43 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 0.00 100 D 7.88 4.74 0.00 2.71 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 0.00 101 I 8.46 4.04 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 1.22 0.47 0.90 0.00 0.00 102 F 9.14 4.80 0.00 2.87 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 0.00 103 S 8.27 4.13 0.00 3.59 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 0.00 104 N 5.77 3.46 0.00 2.49 2.53 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 0.00 105 R 7.21 3.71 0.00 1.63 1.82 0.00 3.02 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.25 0.00 106 E 8.12 4.21 0.00 2.02 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 2.32 2.28 0.00 107 G 7.91 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 0.00 0.00 0.00 0.00 108 K 7.44 4.06 0.00 1.72 1.98 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.52 7.81 109 L 7.28 3.92 0.00 0.76 0.44 -0.99 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.23 0.00 2.29 2.14 0.00 3.30 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 111 G 9.86 3.44 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 0.00 112 K 8.43 4.21 0.00 1.92 1.93 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.