NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3309 8.1849 120.6290 53.5728 43.2166 176.4030 2 P 4.2338 0.0000 0.0000 62.1594 31.8585 176.3871 3 D 4.4144 8.4841 121.9768 56.8686 42.0412 176.5928 4 S 4.6923 7.2635 108.7553 56.6609 66.0888 173.4870 5 V 4.1977 7.9263 120.2956 61.4839 34.5723 174.8922 6 D 4.4217 7.8795 125.2318 51.8726 42.0707 175.5790 7 W 4.2966 8.6604 127.2929 58.7742 29.0821 178.2547 8 R 4.0964 8.4810 118.8621 59.0945 29.2565 178.5346 9 E 4.1316 8.1794 117.4963 58.2882 29.4588 178.2804 10 K 4.5027 7.8447 116.3669 55.0592 32.5992 176.2452 11 G 3.9863 7.8932 107.0521 47.2212 0.0000 174.4152 12 C 4.6366 8.1914 114.6472 58.8221 28.6701 173.4869 13 V 4.5271 7.5310 119.8309 60.9860 33.3427 175.4877 14 T 4.3277 8.3586 117.2721 60.4217 69.9757 173.9008 15 E 4.0792 8.4290 120.9760 56.2070 29.9463 177.5623 16 V 3.6642 8.1936 121.5369 62.9902 32.1792 175.7606 17 K 4.3852 8.1715 125.5193 54.8807 34.1194 175.2569 18 Y 4.3909 7.9467 120.9566 55.6549 39.4032 175.3878 19 Q 4.0464 7.9524 126.4743 56.6848 30.0051 177.5352 20 G 3.8344 6.3379 106.6910 46.5682 0.0000 174.2646 21 S 4.5141 8.7029 122.2205 58.6099 62.9061 173.7704 22 C 4.8402 7.5735 120.3693 54.7473 45.2278 175.3251 23 G 3.8770 8.6533 118.1883 45.1324 0.0000 173.4688 24 A 4.4286 7.6132 117.4422 52.1057 20.3037 177.9274 25 C 4.1993 8.3105 119.2455 62.9319 29.3916 175.6385 26 W 4.2368 8.3920 118.4083 59.2820 27.5968 178.0482 27 A 3.3068 6.0785 120.9206 54.5669 17.7256 179.5035 28 F 3.9473 7.7137 116.3525 60.4185 39.0203 177.8937 29 S 4.1054 8.5428 113.0579 61.2734 62.2395 176.0829 30 A 3.9774 7.9968 123.3123 55.4503 18.1895 180.0905 31 V 3.6599 7.9247 111.1036 64.3236 31.0481 179.0527 32 G 3.8336 8.2887 105.4062 47.1224 0.0000 175.6191 33 A 3.9453 7.8970 123.0788 54.8416 18.3388 179.5661 34 L 3.9244 7.9125 118.8322 58.0781 42.0158 178.8829 35 E 3.9005 8.6550 119.0385 59.2691 29.3091 179.2089 36 A 4.0846 7.5021 121.3364 54.7780 18.4225 179.7152 37 Q 3.8083 7.5994 115.7321 58.8918 28.6950 178.8026 38 L 3.9126 8.1432 121.6765 57.9208 42.0871 178.9782 39 K 4.2948 7.9350 120.8922 59.1171 31.9612 178.8024 40 L 4.1388 7.9994 120.5917 58.2119 41.5475 179.9210 41 K 4.2309 8.1079 123.0559 58.8483 32.0228 180.7140 42 T 4.6780 8.3508 108.4623 60.6829 70.0026 175.6579 43 G 3.9517 8.5072 110.0335 45.2599 0.0000 173.1792 44 K 4.4478 7.7550 119.4384 54.2392 34.0095 174.9938 45 L 4.5698 8.4203 125.6745 53.5236 42.4299 175.6901 46 V 4.4217 8.0094 125.2613 60.8497 34.3239 175.0056 47 S 4.4615 8.7173 123.4569 58.5130 63.3858 173.7785 48 L 4.4697 8.7318 125.3045 52.9193 43.4851 176.8253 49 S 4.1544 8.2504 114.9489 57.7658 61.7907 174.6042 50 A 3.6911 8.1989 131.3783 54.7422 17.9186 178.6262 51 Q 3.7384 7.7500 117.8630 59.1364 29.1454 177.6111 52 N 4.2108 8.2650 118.3892 56.8638 38.9123 176.8583 53 L 4.0070 7.3489 118.7201 57.6517 41.4649 179.5053 54 V 3.7571 7.3658 117.1158 66.3200 31.5420 177.4808 55 D 4.5718 8.3581 117.2869 56.2113 40.8631 176.5884 56 C 4.7774 8.1420 115.3528 57.7361 38.2461 174.6994 57 S 4.4021 8.0668 116.5990 56.8941 61.2981 173.4532 *1057 T 4.8092 7.0299 117.3864 61.3631 70.0059 175.9657 *2057 E 4.1500 8.9580 119.0975 56.5175 31.1751 176.2628 *3057 K 4.4033 7.8465 122.0517 54.8216 32.4686 177.0829 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 L 8.18 4.33 0.00 1.66 1.68 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.23 0.00 2.20 1.91 0.00 3.59 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 2.06 2.13 0.00 3 D 8.48 4.41 0.00 2.65 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 4 S 7.26 4.69 0.00 3.95 3.74 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 5 V 7.93 4.20 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 0.35 0.00 0.00 0.82 0.00 0.00 6 D 7.88 4.42 0.00 2.61 2.41 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 7 W 8.66 4.30 0.00 3.48 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 8 R 8.48 4.10 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 9 E 8.18 4.13 0.00 1.96 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 2.42 0.00 10 K 7.84 4.50 0.00 2.11 2.01 0.00 1.65 0.00 0.00 1.31 0.00 0.00 2.28 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.23 1.47 7.81 11 G 7.89 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 12 C 8.19 4.64 0.00 3.41 2.91 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 13 V 7.53 4.53 2.14 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 0.90 0.00 0.00 1.04 0.00 0.00 14 T 8.36 4.33 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 1.25 0.00 0.00 15 E 8.43 4.08 0.00 1.99 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 2.33 2.26 0.00 16 V 8.19 3.66 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 0.76 0.00 0.00 0.93 0.00 0.00 17 K 8.17 4.39 0.00 1.08 1.40 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.56 7.81 18 Y 7.95 4.39 0.00 2.77 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 19 Q 7.95 4.05 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.56 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 20 G 6.34 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 0.00 0.00 0.00 21 S 8.70 4.51 0.00 3.89 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 22 C 7.57 4.84 0.00 2.97 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 23 G 8.65 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.61 4.43 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 25 C 8.31 4.20 0.00 3.24 3.43 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 26 W 8.39 4.24 0.00 3.69 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.08 3.31 0.05 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 28 F 7.71 3.95 0.00 3.25 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 29 S 8.54 4.11 0.00 3.98 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 30 A 8.00 3.98 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 31 V 7.92 3.66 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 0.64 0.00 0.00 0.94 0.00 0.00 32 G 8.29 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 0.00 0.00 0.00 33 A 7.90 3.95 1.35 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 0.00 0.00 34 L 7.91 3.92 0.00 1.76 1.76 0.89 0.99 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 35 E 8.65 3.90 0.00 2.17 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 2.57 2.47 0.00 36 A 7.50 4.08 1.05 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 37 Q 7.60 3.81 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 38 L 8.14 3.91 0.00 1.79 1.83 0.91 0.84 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 39 K 7.93 4.29 0.00 1.93 1.97 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.42 7.81 40 L 8.00 4.14 0.00 1.76 1.71 0.68 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.11 4.23 0.00 1.86 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 42 T 8.35 4.68 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 43 G 8.51 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 0.00 0.00 0.00 44 K 7.76 4.45 0.00 1.82 1.71 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 45 L 8.42 4.57 0.00 1.59 1.60 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.01 4.42 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 0.90 0.00 0.00 0.93 0.00 0.00 47 S 8.72 4.46 0.00 3.92 3.81 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 0.00 0.00 0.00 48 L 8.73 4.47 0.00 1.55 1.54 0.89 0.71 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 49 S 8.25 4.15 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.20 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.75 3.74 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 52 N 8.26 4.21 0.00 2.75 2.93 0.00 0.00 7.22 7.51 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 53 L 7.35 4.01 0.00 1.54 1.55 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.37 3.76 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 0.88 0.00 0.00 0.67 0.00 0.00 55 D 8.36 4.57 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.14 4.78 0.00 3.04 3.11 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 57 S 8.07 4.40 0.00 3.98 4.19 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 0.00 0.00 0.00 0.00 *1057 T 7.03 4.81 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 1.32 0.00 0.00 *2057 E 8.96 4.15 0.00 2.11 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 2.28 2.35 0.00 *3057 K 7.85 4.40 0.00 1.80 1.62 0.00 1.73 0.00 0.00 2.40 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.