NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4559 8.3349 116.7973 58.7983 63.0158 173.1412 1 E 4.2014 8.5568 124.2183 55.0094 30.0772 175.3758 2 Q 4.2625 7.9201 120.9969 57.0706 30.5599 175.5153 3 T 4.5845 9.2670 114.2752 62.5522 71.9774 173.0361 4 H 5.5394 8.0773 117.0338 54.2121 34.3179 172.0815 5 R 5.0461 8.9550 118.2376 54.7632 33.5546 174.1433 6 A 4.6479 9.0099 128.8584 52.1453 19.1012 177.6789 7 I 4.1392 8.5401 114.1027 60.4777 39.3549 175.6272 8 F 5.2171 7.6290 119.9459 55.2679 42.8963 174.5430 9 R 4.3403 8.9406 122.4054 56.6496 30.8961 175.4552 10 F 4.9451 9.5522 128.4734 56.6095 42.4517 173.3885 11 V 4.3738 7.9253 126.7011 60.1600 32.6031 173.7032 12 P 4.1711 0.0000 0.0000 63.1639 31.6712 176.3648 13 R 4.4077 9.3111 119.8415 56.0292 32.4024 175.6500 14 H 5.0351 7.9730 113.8484 53.2377 31.8592 174.3406 15 E 3.9183 8.9004 122.2169 59.1238 29.5752 177.3835 16 D 4.7434 8.0073 115.6589 53.2260 40.1468 175.5439 17 E 5.0343 7.7802 119.9718 56.2686 30.7524 175.5729 18 L 4.7307 8.8576 125.1822 53.4542 43.4005 175.7971 19 E 4.4656 8.9054 127.7346 56.2392 30.6212 175.6358 20 L 4.9396 9.3277 125.6655 53.0206 45.9919 175.2999 21 E 5.0148 9.1373 121.6520 53.9436 33.1110 175.8976 22 V 3.6432 8.4155 121.7529 64.9684 31.7937 175.6451 23 D 4.5808 9.0216 124.9851 54.4333 40.5756 173.3848 24 D 4.6146 7.8755 118.7139 54.1043 41.8685 173.8134 25 P 4.7644 0.0000 0.0000 62.5609 32.4614 175.4654 26 L 5.0711 9.0178 122.9369 52.8433 46.1395 175.4888 27 L 4.8942 8.9404 124.1834 53.2446 43.7316 174.8502 28 V 4.2866 8.9555 127.0300 62.6823 31.3445 175.5765 29 E 4.3116 9.2968 128.7917 58.5856 30.5432 177.1660 30 L 4.3745 7.5782 120.4025 53.9408 45.8411 175.0582 31 Q 4.2271 8.4648 125.5978 53.6937 28.4268 175.1969 32 A 4.2114 8.5268 126.1107 51.6035 19.1729 178.8371 33 E 3.8392 8.6139 119.5919 58.9730 29.6826 177.7864 34 D 4.7994 8.0396 116.8133 53.2377 39.6718 175.7558 35 Y 3.5720 7.6541 115.3815 59.3115 35.9976 168.6815 36 W 4.8355 8.0219 118.2569 55.0735 32.5138 174.3285 37 Y 5.2656 8.3198 121.1381 56.2566 40.2691 174.2443 38 E 4.9272 9.1234 125.2417 55.0806 31.4773 174.7787 39 A 5.2268 9.3225 127.7373 51.1684 23.6255 173.5618 40 Y 5.1781 8.9394 119.9973 56.1845 41.5138 175.3064 41 N 4.4831 8.8073 126.3652 52.8304 41.2070 175.0605 *43 R 4.1635 8.5408 118.2507 56.3161 31.4841 176.4756 44 T 4.1049 7.7171 105.6519 61.5718 69.5417 175.9185 45 G 3.6115 8.3981 109.5217 44.3504 0.0000 173.2672 46 A 4.4416 7.3788 122.7555 51.4098 19.5475 176.7153 47 R 5.1629 8.5416 114.6679 54.0816 32.9351 175.7630 48 G 3.9622 7.4085 104.3540 46.0974 0.0000 171.6299 49 V 5.6955 8.0331 112.5937 59.3792 34.9096 175.1078 50 F 5.1545 8.0571 115.5257 54.8979 41.4761 171.5939 51 P 3.4216 0.0000 0.0000 62.1643 31.6237 177.0880 52 A 2.5800 8.2735 128.2766 55.2939 18.1599 178.8871 53 Y 4.3562 7.5404 109.3521 59.6954 38.0829 175.9450 54 Y 4.3290 8.4111 117.7825 58.3143 38.3458 174.4921 55 A 5.3339 7.8224 120.9670 50.1760 22.7630 175.5025 56 I 4.7462 8.5205 112.1613 58.8891 41.3869 174.5466 57 E 4.4117 8.6824 122.5360 56.2933 30.1806 177.1927 58 V 3.9650 8.3076 117.3338 61.2365 33.4500 176.6566 59 T 3.6921 8.3139 117.2648 64.3696 68.3227 172.3069 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 0 S 8.33 4.46 0.00 3.89 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 1 E 8.56 4.20 0.00 2.07 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 2.27 2.30 0.00 2 Q 7.92 4.26 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 3 T 9.27 4.58 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 4 H 8.08 5.54 0.00 3.22 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.96 5.05 0.00 1.83 1.68 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 6 A 9.01 4.65 1.13 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 7 I 8.54 4.14 1.25 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.70 0.00 0.00 8 F 7.63 5.22 0.00 2.51 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 9 R 8.94 4.34 0.00 1.91 1.98 0.00 3.52 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 10 F 9.55 4.95 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.93 4.37 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 0.76 0.00 0.00 0.89 0.00 0.00 12 P 0.00 4.17 0.00 2.00 1.95 0.00 3.53 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 1.99 2.03 0.00 13 R 9.31 4.41 0.00 1.52 1.62 0.00 3.08 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 14 H 7.97 5.04 0.00 3.25 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.90 3.92 0.00 1.91 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 2.30 2.38 0.00 16 D 8.01 4.74 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 17 E 7.78 5.03 0.00 2.07 2.30 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 2.79 2.43 0.00 18 L 8.86 4.73 0.00 1.83 1.91 1.03 1.39 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 19 E 8.91 4.47 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 20 L 9.33 4.94 0.00 1.66 1.47 0.36 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.14 5.01 0.00 2.22 1.81 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 2.22 2.22 0.00 22 V 8.42 3.64 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 0.74 0.00 0.00 0.98 0.00 0.00 23 D 9.02 4.58 0.00 2.80 2.77 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 24 D 7.88 4.61 0.00 2.68 2.53 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 25 P 0.00 4.76 0.00 2.09 2.06 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 26 L 9.02 5.07 0.00 1.70 1.70 0.79 0.19 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 27 L 8.94 4.89 0.00 1.87 1.75 0.93 1.11 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 28 V 8.96 4.29 1.92 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 0.38 0.00 0.00 0.84 0.00 0.00 29 E 9.30 4.31 0.00 1.97 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 2.35 2.44 0.00 30 L 7.58 4.37 0.00 1.68 1.41 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.46 4.23 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 32 A 8.53 4.21 1.41 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 0.00 0.00 0.00 33 E 8.61 3.84 0.00 1.92 1.95 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 2.26 2.20 0.00 34 D 8.04 4.80 0.00 2.99 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 35 Y 7.65 3.57 0.00 3.24 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 36 W 8.02 4.84 0.00 3.38 3.04 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 0.00 0.00 0.00 37 Y 8.32 5.27 0.00 1.43 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 0.00 0.00 0.00 0.00 38 E 9.12 4.93 0.00 2.08 1.81 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 2.26 2.33 0.00 39 A 9.32 5.23 1.56 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 0.00 0.00 40 Y 8.94 5.18 0.00 3.06 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 41 N 8.81 4.48 0.00 2.69 2.52 0.00 0.00 6.37 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 *43 R 8.54 4.16 0.00 1.80 2.11 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 44 T 7.72 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 1.18 0.00 0.00 45 G 8.40 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 46 A 7.38 4.44 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 47 R 8.54 5.16 0.00 2.10 2.14 0.00 3.31 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 48 G 7.41 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 0.00 0.00 0.00 49 V 8.03 5.70 2.34 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 0.84 0.00 0.00 1.03 0.00 0.00 50 F 8.06 5.15 0.00 2.38 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 51 P 0.00 3.42 0.00 1.72 1.43 0.00 2.20 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.00 52 A 8.27 2.58 0.56 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 0.00 0.00 53 Y 7.54 4.36 0.00 3.04 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 54 Y 8.41 4.33 0.00 3.20 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 55 A 7.82 5.33 1.44 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 56 I 8.52 4.75 1.87 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 1.37 0.74 0.85 0.00 0.00 57 E 8.68 4.41 0.00 1.84 1.81 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 2.14 2.35 0.00 58 V 8.31 3.97 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 0.68 0.00 0.00 0.91 0.00 0.00 59 T 8.31 3.69 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.