NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1449 8.2649 123.5839 47.2951 21.2329 172.5992 2 K 3.6044 7.9820 119.8271 54.4246 32.3321 174.7040 3 Q 3.9479 8.4214 126.0422 58.9887 30.0772 177.4293 4 S 4.1078 8.0833 114.6095 62.1003 62.6221 176.1405 5 M 3.9978 8.0488 122.2124 57.8750 31.3118 178.6208 6 K 3.8682 8.3512 118.3825 59.6318 32.2983 179.2205 7 A 3.8261 8.2280 121.0032 54.9730 18.1514 179.5072 8 R 3.8294 7.8716 116.8081 59.6431 30.2225 178.3089 9 E 3.8698 7.8189 118.7490 59.4957 29.5196 179.0769 10 V 3.5434 7.2722 117.4072 65.9872 31.6118 177.6943 11 K 3.8323 7.8196 117.9153 59.8630 31.8855 179.2046 12 R 3.9769 7.6846 117.7677 59.4389 29.8704 179.1813 13 V 3.5341 7.6496 117.1758 66.0924 31.2986 177.7449 14 A 3.9947 7.9970 120.4948 55.0321 18.3349 179.2680 15 L 4.0411 8.0437 116.5547 58.0430 41.8115 179.5367 16 A 4.7415 8.0648 121.9531 54.8475 17.9989 179.3219 17 D 4.4231 7.5073 114.9939 56.7371 41.2710 178.6271 18 K 3.9327 8.0822 118.6853 59.4012 32.4226 177.0139 19 Y 4.3678 8.4378 114.7664 57.6899 39.3245 178.6206 20 F 3.9434 7.3669 121.1151 61.0896 40.0184 178.1918 21 A 4.3424 7.8800 122.5271 54.5688 18.6850 178.2341 22 K 5.3112 9.0564 113.9789 56.9242 34.7693 178.8072 23 R 4.0578 7.9090 117.0464 58.6952 29.7413 178.3518 24 A 3.4447 8.2219 120.6499 54.3209 18.0770 179.3941 25 E 3.7667 7.7385 116.7432 59.0151 29.4157 178.7156 26 L 3.8954 7.9375 121.2184 58.1407 41.7377 179.1895 27 K 3.8752 7.4507 117.7972 60.1150 32.2770 178.5432 28 A 4.1856 7.5609 119.6212 53.0560 18.4311 177.3028 29 I 3.9644 7.5175 117.6497 62.1519 38.4427 178.0938 30 I 3.6276 6.7694 126.4142 65.1691 37.8134 178.3662 31 S 4.2601 7.9688 114.5323 60.6094 62.8382 174.3059 32 D 4.5572 7.3570 119.8080 53.1405 41.5880 176.8414 33 V 3.9447 7.9941 121.8894 63.0585 30.0128 174.7504 34 N 4.8629 8.1338 120.7592 52.5931 41.8715 175.6943 35 A 4.4284 8.2100 120.4310 52.3084 21.3145 179.4577 *40 R 4.2100 7.5426 120.5603 55.5511 31.2079 174.6521 41 W 4.4774 8.1174 128.7264 56.3968 31.7778 174.9012 42 N 4.1190 8.2964 125.2503 56.6658 38.2515 175.9698 43 A 3.7967 6.9233 120.0685 55.2982 18.6414 179.0679 44 V 3.8265 8.2376 115.6995 66.4530 31.5374 177.9373 45 L 4.0384 8.1304 119.6195 57.7860 41.5975 178.1855 46 K 4.4886 8.1546 116.0359 56.6856 32.1730 177.0327 47 L 4.5866 7.7636 121.2347 56.2246 44.6248 178.2256 48 Q 4.0491 8.2056 115.3731 58.2125 28.4545 176.4341 49 T 4.5302 7.2794 116.1982 62.2218 69.5126 173.0609 50 L 4.5859 8.0344 134.0660 55.9246 42.4690 173.8083 51 P 3.9413 0.0000 0.0000 64.3201 31.2468 175.0479 52 R 3.8093 7.4509 119.4677 56.7275 29.5713 176.0996 53 D 4.3809 7.8382 120.4624 55.9389 41.9917 177.3409 54 S 4.1797 7.4993 112.3246 60.3146 63.2221 173.7492 55 S 3.6164 7.6659 118.4214 57.9460 62.7571 173.1453 56 P 4.5136 0.0000 0.0000 64.2346 31.3233 176.6540 57 S 4.7451 7.4213 113.7629 58.8407 62.9483 174.8297 58 R 4.4896 7.7238 117.5538 55.9244 31.4151 176.4888 59 Q 4.2417 7.7919 117.1252 55.8637 29.3268 175.6558 60 R 4.4059 9.0117 115.6979 55.1955 29.6064 175.8044 61 N 3.8158 8.4704 113.2899 50.5531 37.9639 173.2686 62 R 4.3070 7.5401 120.7072 55.2623 30.5424 175.9689 63 C 4.2925 8.3231 120.0075 59.5328 31.7101 174.5228 64 R 4.0421 8.6005 128.2425 58.2744 29.2362 175.6512 65 Q 4.3634 7.2005 116.3003 58.1348 31.2062 176.4448 66 T 3.9387 7.9162 110.3001 65.6265 69.6771 176.0726 67 G 4.2894 8.5238 107.5183 44.5192 0.0000 173.0336 68 R 3.8743 8.2974 120.8743 55.8519 30.1967 174.9678 69 P 4.3584 0.0000 0.0000 66.2703 32.9474 177.8608 70 H 4.4465 8.7088 113.5929 55.5310 27.6320 178.2191 71 G 4.0160 8.9923 123.7727 46.0192 0.0000 172.5869 72 F 5.0360 8.4244 126.5160 56.9045 42.8700 174.1758 73 L 4.1077 5.9399 121.4471 54.0242 43.8833 176.7120 74 R 3.9762 8.7818 123.7350 59.2957 29.4690 177.8279 75 K 3.2319 7.1575 114.3350 60.8586 31.6236 177.0805 76 F 4.2805 6.8991 117.8058 58.3948 39.8927 177.3808 77 G 3.6726 8.6614 108.6888 45.8102 0.0000 172.8387 78 L 5.0602 6.9160 115.5178 51.8593 45.3154 176.6362 79 S 5.2147 8.7061 114.9613 57.7074 63.5997 175.3737 80 R 3.9510 8.6446 117.9140 59.7474 29.4058 179.0316 81 I 3.7216 7.8034 119.0652 64.3310 37.2387 178.1458 82 K 3.9164 7.6551 118.0446 59.3614 31.7734 179.4042 83 V 3.3438 7.6329 118.5004 66.1202 31.3059 177.7418 84 R 3.8101 7.4053 117.5693 59.5416 29.4584 177.8751 85 E 3.8756 8.0543 117.3407 59.7227 29.6019 179.6633 86 A 3.8200 8.2053 120.2446 54.8577 18.5202 179.4206 87 A 3.8304 8.3803 119.7027 55.7266 18.2589 179.9180 88 M 4.0446 8.0113 115.6333 58.2506 32.1188 177.8863 89 R 4.0605 7.3918 115.5679 56.5653 30.4643 177.4836 90 G 3.9448 8.2123 107.0288 45.4916 0.0000 175.4006 91 E 4.0048 8.0937 120.0190 58.1048 29.6111 177.0887 92 I 4.3932 6.8459 120.4588 58.4364 38.6600 173.8075 93 P 4.3490 0.0000 0.0000 63.5284 32.0152 178.2185 94 G 4.0522 8.8400 110.3264 46.4928 0.0000 174.1252 95 L 4.1619 8.0063 122.0321 54.8060 42.5527 175.8749 96 K 4.3139 8.2110 122.4667 55.5526 34.7308 174.5698 97 K 3.7312 8.7817 118.9229 56.9781 31.8981 176.5574 98 A 4.5268 8.5212 127.4498 51.6124 19.5283 177.7010 99 S 4.3180 8.5343 116.4935 57.3671 63.5541 174.5604 100 W 4.4787 8.0289 124.1093 56.8834 28.1233 176.5068 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 A 8.26 4.14 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 2 K 7.98 3.60 0.00 2.04 1.85 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 3 Q 8.42 3.95 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.08 4.11 0.00 4.08 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 5 M 8.05 4.00 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 6 K 8.35 3.87 0.00 2.06 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.79 7.81 7 A 8.23 3.83 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 8 R 7.87 3.83 0.00 2.10 2.00 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 9 E 7.82 3.87 0.00 2.00 2.12 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 2.30 2.37 0.00 10 V 7.27 3.54 2.21 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 0.98 0.00 0.00 0.93 0.00 0.00 11 K 7.82 3.83 0.00 1.91 1.87 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.80 1.65 7.81 12 R 7.68 3.98 0.00 1.95 1.93 0.00 3.09 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 13 V 7.65 3.53 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 1.01 0.00 0.00 1.01 0.00 0.00 14 A 8.00 3.99 1.36 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 0.00 0.00 0.00 15 L 8.04 4.04 0.00 1.83 1.79 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.06 4.74 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.51 4.42 0.00 2.91 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 18 K 8.08 3.93 0.00 1.97 1.59 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.66 7.81 19 Y 8.44 4.37 0.00 3.26 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 20 F 7.37 3.94 0.00 3.38 3.16 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 21 A 7.88 4.34 1.42 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 22 K 9.06 5.31 0.00 1.71 1.80 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.33 7.81 23 R 7.91 4.06 0.00 1.88 1.93 0.00 3.35 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 24 A 8.22 3.44 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 25 E 7.74 3.77 0.00 2.15 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 0.00 2.32 2.30 0.00 26 L 7.94 3.90 0.00 1.64 1.91 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.45 3.88 0.00 1.86 2.00 0.00 1.27 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.64 7.81 28 A 7.56 4.19 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 29 I 7.52 3.96 1.99 0.00 0.00 0.83 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 1.68 0.87 0.00 0.00 30 I 6.77 3.63 1.90 0.00 0.00 0.83 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 0.26 0.86 0.00 0.00 31 S 7.97 4.26 0.00 4.05 3.96 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 32 D 7.36 4.56 0.00 2.77 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 33 V 7.99 3.94 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 0.86 0.00 0.00 0.94 0.00 0.00 34 N 8.13 4.86 0.00 2.63 2.48 0.00 0.00 6.98 7.35 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 35 A 8.21 4.43 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 *40 R 7.54 4.21 0.00 1.88 1.99 0.00 3.39 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 41 W 8.12 4.48 0.00 3.33 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 42 N 8.30 4.12 0.00 2.59 2.42 0.00 0.00 7.01 7.75 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 43 A 6.92 3.80 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 44 V 8.24 3.83 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 1.10 0.00 0.00 1.09 0.00 0.00 45 L 8.13 4.04 0.00 1.86 1.80 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.15 4.49 0.00 1.90 1.79 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.60 7.81 47 L 7.76 4.59 0.00 1.59 1.78 0.95 1.02 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 48 Q 8.21 4.05 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 49 T 7.28 4.53 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 50 L 8.03 4.59 0.00 1.67 1.71 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.94 0.00 1.94 1.64 0.00 3.91 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 2.05 2.18 0.00 52 R 7.45 3.81 0.00 2.03 1.83 0.00 3.19 0.00 0.00 3.23 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 53 D 7.84 4.38 0.00 2.58 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 54 S 7.50 4.18 0.00 3.68 3.27 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 55 S 7.67 3.62 0.00 3.80 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 56 P 0.00 4.51 0.00 2.20 2.20 0.00 3.78 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 2.05 2.13 0.00 57 S 7.42 4.75 0.00 3.93 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 58 R 7.72 4.49 0.00 1.81 1.86 0.00 3.23 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 59 Q 7.79 4.24 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.41 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 60 R 9.01 4.41 0.00 1.71 1.86 0.00 3.16 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.51 0.00 61 N 8.47 3.82 0.00 2.09 1.62 0.00 0.00 7.15 7.66 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 62 R 7.54 4.31 0.00 1.98 2.06 0.00 3.26 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 63 C 8.32 4.29 0.00 3.04 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 64 R 8.60 4.04 0.00 2.14 2.01 0.00 3.38 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 65 Q 7.20 4.36 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 66 T 7.92 3.94 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 1.22 0.00 0.00 67 G 8.52 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 0.00 0.00 0.00 0.00 68 R 8.30 3.87 0.00 1.90 1.93 0.00 3.23 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 69 P 0.00 4.36 0.00 2.10 2.12 0.00 3.84 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 1.91 1.94 0.00 70 H 8.71 4.45 0.00 3.22 2.79 0.00 5.74 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 71 G 8.99 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 72 F 8.42 5.04 0.00 3.11 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 73 L 5.94 4.11 0.00 1.65 1.41 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.78 3.98 0.00 1.77 2.06 0.00 3.52 0.00 0.00 3.49 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 75 K 7.16 3.23 0.00 1.20 0.77 0.00 1.39 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 6.90 4.28 0.00 3.13 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 77 G 8.66 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 0.00 0.00 0.00 78 L 6.92 5.06 0.00 1.72 1.51 1.01 0.77 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 79 S 8.71 5.21 0.00 4.07 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 80 R 8.64 3.95 0.00 2.03 2.30 0.00 2.98 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 81 I 7.80 3.72 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 1.65 0.92 0.91 0.00 0.00 82 K 7.66 3.92 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 83 V 7.63 3.34 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 0.48 0.00 0.00 0.99 0.00 0.00 84 R 7.41 3.81 0.00 2.00 2.06 0.00 3.16 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 1.60 1.65 0.00 85 E 8.05 3.88 0.00 2.03 1.99 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 2.32 2.49 0.00 86 A 8.21 3.82 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 87 A 8.38 3.83 1.25 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 0.00 0.00 0.00 88 M 8.01 4.04 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 89 R 7.39 4.06 0.00 1.75 1.95 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 90 G 8.21 3.94 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 0.00 0.00 0.00 91 E 8.09 4.00 0.00 1.99 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 2.32 2.37 0.00 92 I 6.85 4.39 1.74 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.89 0.00 0.00 93 P 0.00 4.35 0.00 2.24 2.19 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 94 G 8.84 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 0.00 0.00 0.00 95 L 8.01 4.16 0.00 1.63 1.54 1.06 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.21 4.31 0.00 1.85 1.73 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.44 7.81 97 K 8.78 3.73 0.00 1.78 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 98 A 8.52 4.53 1.53 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 99 S 8.53 4.32 0.00 3.88 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 0.00 100 W 8.03 4.48 0.00 3.41 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 * Residues marked with a * may have inaccurate shift predictions.