NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3518 8.4293 120.2301 57.2328 30.2329 174.8622 2 T 3.9059 7.6867 112.2520 60.4632 70.3996 170.7429 3 S 4.7032 8.9903 118.0168 56.7524 66.5662 173.8799 4 Y 4.7412 8.5573 123.1086 56.4117 41.0970 174.9597 5 T 4.7231 8.3350 116.5314 60.4060 70.6189 172.6406 6 L 4.8261 8.0813 128.4332 53.7282 45.4581 174.7865 7 N 4.5597 8.0843 116.3974 52.1728 39.5200 173.5212 8 E 4.5613 8.5549 121.8676 53.9536 32.8824 175.1315 9 V 3.6665 8.4067 124.7057 62.7504 31.1697 175.6356 10 V 4.2790 8.1664 128.1371 60.2812 32.8802 173.9631 11 P 4.5862 0.0000 0.0000 61.5889 30.1890 176.3173 12 L 4.2300 8.5244 129.1963 58.3622 42.4391 179.3033 13 K 3.9270 8.1471 116.8946 59.6284 32.3757 177.2185 14 E 4.1112 7.4252 113.5380 56.3572 29.8845 176.7169 15 F 4.8293 7.8461 117.0082 57.4436 41.6753 175.3404 16 V 4.5064 7.7086 119.0751 59.9187 33.5783 173.4620 17 P 4.5643 0.0000 0.0000 62.1743 32.2642 175.9958 18 E 3.9504 8.8811 119.6661 59.0459 29.4573 177.8596 19 W 4.4921 7.9845 116.5329 54.9922 30.7636 175.8584 20 V 4.6229 8.1381 114.7180 59.9040 35.3252 174.0760 21 R 4.6632 8.4329 121.3009 54.4357 32.1678 174.9106 22 I 4.5686 8.6318 116.1985 58.2667 40.7209 175.0724 23 G 3.6219 7.1608 106.2018 46.0621 0.0000 171.5468 24 F 4.8580 7.9257 116.9775 55.8040 41.6562 174.9847 25 S 4.6253 8.2996 115.4270 57.0422 65.3170 173.1494 26 A 4.5481 8.1366 127.9529 51.2778 21.7241 175.1955 27 T 4.7889 7.9890 110.3486 60.5548 72.2208 172.6511 28 T 4.9383 8.1201 109.9977 60.5489 72.5770 174.3532 29 G 4.0880 8.4055 114.1473 44.4600 0.0000 174.9672 30 A 4.1014 9.0402 126.0463 54.0716 18.5449 177.4593 31 E 4.1735 7.7016 113.8298 54.6359 32.4076 174.5236 32 F 5.1111 7.1062 113.6910 56.5883 40.5253 172.6439 33 A 4.4921 8.2330 121.9702 51.4982 21.5691 175.2549 34 A 4.5292 8.3110 122.5865 50.8603 20.3868 176.4807 35 H 4.9137 8.6550 120.2271 53.6922 31.0030 173.6409 36 E 4.5057 8.4482 121.3571 54.3155 32.3479 174.8319 37 V 3.9378 8.0399 121.7544 61.2804 32.2291 175.5125 38 L 4.2833 8.3643 127.4294 56.3166 42.1486 176.6034 39 S 4.7057 7.5392 110.4295 57.7001 65.1422 174.2893 40 W 5.3197 8.5071 129.2711 56.9576 33.3338 172.9551 41 Y 4.7799 9.0275 126.0971 55.8121 41.3231 174.0936 42 F 4.3456 7.0109 126.2331 56.6979 42.4630 172.9794 43 N 4.5821 7.1094 125.1279 51.7440 41.7001 173.4957 44 S 4.4836 8.2240 118.9990 56.3665 66.0015 173.0794 45 E 4.6561 8.4934 122.0067 54.4151 32.8986 174.9329 46 L 4.6068 8.1754 123.7472 53.1413 45.0051 175.9816 47 S 4.3721 8.6042 120.7236 58.3904 64.3362 174.6243 48 V 4.4444 7.4925 113.9830 58.5418 31.4204 175.4550 49 T 4.1859 7.1543 111.4634 62.6718 72.6221 174.4165 50 S 4.0345 9.0570 123.8204 61.7450 63.4191 175.0523 *51 S 4.2554 7.9468 120.9543 58.1442 62.7319 176.8185 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 E 8.43 4.35 0.00 1.98 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 2.22 2.25 0.00 2 T 7.69 3.91 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 1.15 0.00 0.00 3 S 8.99 4.70 0.00 3.75 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 4 Y 8.56 4.74 0.00 2.94 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 5 T 8.33 4.72 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 1.22 0.00 0.00 6 L 8.08 4.83 0.00 1.60 1.49 0.94 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 7 N 8.08 4.56 0.00 2.80 2.74 0.00 0.00 5.76 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 8 E 8.55 4.56 0.00 1.87 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 2.16 2.32 0.00 9 V 8.41 3.67 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 0.85 0.00 0.00 0.95 0.00 0.00 10 V 8.17 4.28 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 0.93 0.00 0.00 0.95 0.00 0.00 11 P 0.00 4.59 0.00 2.38 2.26 0.00 4.02 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.13 0.00 12 L 8.52 4.23 0.00 1.80 1.75 0.99 0.52 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 13 K 8.15 3.93 0.00 1.86 1.91 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 14 E 7.43 4.11 0.00 1.74 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 1.99 1.47 0.00 15 F 7.85 4.83 0.00 3.08 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 16 V 7.71 4.51 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 0.84 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.56 0.00 2.29 2.08 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 18 E 8.88 3.95 0.00 2.05 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 2.28 2.38 0.00 19 W 7.98 4.49 0.00 3.32 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 20 V 8.14 4.62 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 0.75 0.00 0.00 0.93 0.00 0.00 21 R 8.43 4.66 0.00 1.75 1.79 0.00 3.23 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 22 I 8.63 4.57 1.76 0.00 0.00 -0.50 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 0.75 0.78 0.00 0.00 23 G 7.16 3.62 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 0.00 0.00 0.00 24 F 7.93 4.86 0.00 2.84 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 25 S 8.30 4.63 0.00 3.76 3.65 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 26 A 8.14 4.55 1.03 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 0.00 0.00 27 T 7.99 4.79 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 1.21 0.00 0.00 28 T 8.12 4.94 4.44 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 1.34 0.00 0.00 29 G 8.41 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 0.00 0.00 0.00 0.00 30 A 9.04 4.10 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 31 E 7.70 4.17 0.00 1.87 1.58 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 2.10 2.14 0.00 32 F 7.11 5.11 0.00 3.01 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 33 A 8.23 4.49 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 34 A 8.31 4.53 1.22 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 0.00 0.00 35 H 8.66 4.91 0.00 3.06 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.45 4.51 0.00 1.94 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 2.11 2.17 0.00 37 V 8.04 3.94 1.64 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 0.48 0.00 0.00 -0.24 0.00 0.00 38 L 8.36 4.28 0.00 1.65 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.54 4.71 0.00 4.04 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 40 W 8.51 5.32 0.00 3.37 3.25 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 41 Y 9.03 4.78 0.00 2.99 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 42 F 7.01 4.35 0.00 2.46 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 0.00 0.00 0.00 0.00 43 N 7.11 4.58 0.00 2.39 2.44 0.00 0.00 6.84 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 44 S 8.22 4.48 0.00 3.89 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 45 E 8.49 4.66 0.00 1.86 1.80 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 2.16 2.20 0.00 46 L 8.18 4.61 0.00 1.43 1.40 0.86 0.81 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 47 S 8.60 4.37 0.00 4.00 3.83 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 48 V 7.49 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 0.77 0.00 0.00 0.93 0.00 0.00 49 T 7.15 4.19 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 1.23 0.00 0.00 50 S 9.06 4.03 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.26 0.00 3.62 3.72 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 * Residues marked with a * may have inaccurate shift predictions.