NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2162 8.2649 123.5824 52.2511 20.7158 177.3659 3 K 4.1926 8.4647 117.6833 55.8544 30.6593 173.4700 4 E 4.6486 7.4547 116.6546 53.6159 30.2626 172.1621 5 P 4.6098 0.0000 0.0000 61.9003 33.7606 177.0072 6 C 4.5012 8.2765 122.5228 58.9810 31.1208 175.2787 7 V 3.7503 7.5020 121.5943 64.6914 31.5002 177.2976 8 E 3.9385 8.3114 119.4276 59.3135 29.0753 179.2705 9 S 4.1173 7.8974 114.2896 61.5076 63.2072 176.6375 10 L 4.0888 7.7756 122.2601 57.1864 40.9662 179.4834 11 V 3.6990 7.9506 118.9175 65.8758 31.5096 178.2069 12 S 3.7742 7.9525 113.6252 60.8115 62.9629 176.5199 13 Q 3.9852 7.6536 122.1628 59.1943 28.3526 178.2983 14 Y 4.3777 7.2600 116.1005 59.6026 38.2588 177.3291 15 F 4.2816 7.1786 122.7387 61.1076 39.3157 177.2259 16 Q 3.9805 8.2854 117.8489 59.0208 28.4319 178.7007 17 T 3.9061 7.6115 115.6703 66.4771 68.4051 176.8935 18 V 3.6915 7.4344 120.4897 66.0495 31.2320 178.2696 19 T 3.7629 7.4551 114.4917 66.7261 68.4611 175.9088 20 D 4.4858 7.9105 120.9486 57.3206 40.4791 178.1714 21 Y 4.8082 7.5688 121.8012 60.1868 38.6339 178.3378 22 G 3.5207 8.1371 106.7498 47.4767 0.0000 175.9015 23 K 4.0303 7.6900 120.6278 58.9506 32.0176 179.1047 24 D 4.2591 7.5461 118.2103 57.5051 40.6961 178.6628 25 L 3.9695 7.5429 119.9368 57.7878 41.9045 178.2841 26 M 3.9617 7.6894 118.4358 58.7351 31.6882 178.1162 27 E 3.9952 8.1822 118.3699 58.9785 29.3273 179.4066 28 K 4.0469 7.4827 118.2771 59.0002 32.3378 178.9288 29 V 3.8253 7.5249 117.5194 64.5044 31.3029 177.1639 30 K 4.4044 7.3568 115.4257 57.4285 31.8904 176.9813 31 S 4.5240 7.3171 114.1331 59.3259 64.3575 173.2083 32 P 4.3728 0.0000 0.0000 63.0369 31.3925 174.4197 33 E 4.4560 8.8384 120.9814 56.8949 32.0236 176.0753 34 L 4.5372 7.7079 117.7395 54.5387 42.2753 173.7028 35 Q 4.4138 8.2228 120.2095 57.0677 32.4882 177.2401 36 A 3.9380 7.9135 122.2187 53.6786 18.1427 178.6240 37 E 4.0011 8.7336 115.7834 55.3556 31.3050 178.2375 *39 K 3.7651 8.3747 118.2923 56.4072 34.0875 178.4402 40 S 4.5806 7.6448 114.0267 60.4300 61.8822 175.3457 41 Y 3.9816 7.6225 121.9435 60.5026 38.4589 177.5479 42 F 4.7744 7.4904 119.6498 59.4024 38.8868 177.7277 43 E 4.0603 7.9054 118.6756 59.4581 29.2980 179.3037 44 K 4.3666 8.1695 120.4620 58.6123 31.7517 178.8727 45 S 3.9870 7.5438 113.7131 61.2501 63.0696 176.3160 46 K 4.1855 7.7461 119.6182 57.8436 31.7759 178.0187 47 E 4.3339 7.6625 118.5125 56.8035 29.2806 177.4578 48 Q 4.4153 7.6351 115.9647 54.8604 31.1539 176.6248 49 L 4.1019 7.3439 120.6940 58.0929 42.1777 178.8246 50 T 4.0063 7.8155 108.7848 64.2317 69.0169 174.6096 51 P 4.3615 0.0000 0.0000 64.2629 31.0474 178.0631 52 L 3.9334 7.2459 117.9933 58.2849 41.9463 178.5924 53 I 3.9243 7.6437 119.1865 63.9452 37.0214 178.0969 54 K 4.1328 7.8367 117.9013 58.0012 32.0081 178.7152 55 K 4.0101 8.0257 120.1128 58.7424 32.0003 178.3813 56 A 4.0552 7.7688 120.8279 54.7494 17.9371 179.6712 57 G 3.5014 7.6934 103.7910 47.2858 0.0000 174.7965 58 T 4.3952 7.3435 111.7381 62.2674 67.9484 173.3483 59 E 3.9961 7.5042 117.0357 57.6471 32.8919 177.4746 60 L 3.7593 7.2767 117.8314 57.6850 41.8745 179.7476 61 V 3.5437 7.6523 117.6911 65.8065 31.8894 177.4968 62 N 4.5426 7.8308 115.4336 55.5108 38.3991 177.3239 63 F 4.7202 7.7177 119.7599 60.4220 38.9116 177.5057 64 L 3.2555 7.6588 118.8585 58.0791 40.3694 179.1628 65 S 4.1718 7.7521 113.5378 61.2794 61.9058 175.2193 66 Y 4.3545 8.1021 122.4157 60.2699 38.3620 177.7150 67 F 4.2201 8.3155 119.4348 60.5139 38.8151 177.5525 68 V 3.7547 7.8716 116.1299 65.0239 31.4970 177.3166 69 E 4.0435 7.6751 118.4090 59.4756 29.6350 178.5333 70 L 4.1551 7.2046 116.7124 56.0367 42.2216 177.9960 71 G 3.7240 7.0499 107.9803 46.5204 0.0000 174.8586 72 T 3.6425 8.6138 117.2997 64.3308 67.7712 174.7182 73 Q 4.0057 8.0517 119.7107 58.4837 28.6700 176.3386 74 P 4.3127 0.0000 0.0000 64.1596 31.9561 175.9411 75 A 4.2833 7.3654 126.3133 52.2421 19.0028 176.4616 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 2 A 8.26 4.22 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 3 K 8.46 4.19 0.00 2.02 2.02 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 4 E 7.45 4.65 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 2.17 2.26 0.00 5 P 0.00 4.61 0.00 2.22 2.02 0.00 3.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 6 C 8.28 4.50 0.00 2.97 2.89 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 7 V 7.50 3.75 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 0.79 0.00 0.00 0.97 0.00 0.00 8 E 8.31 3.94 0.00 2.01 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 0.00 2.38 2.37 0.00 9 S 7.90 4.12 0.00 4.01 4.11 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 10 L 7.78 4.09 0.00 1.92 1.84 0.95 0.88 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 11 V 7.95 3.70 2.15 0.00 0.00 0.00 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 1.02 0.00 0.00 12 S 7.95 3.77 0.00 4.09 4.01 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 0.00 0.00 0.00 13 Q 7.65 3.99 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 14 Y 7.26 4.38 0.00 3.24 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 15 F 7.18 4.28 0.00 2.69 3.07 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 0.00 0.00 0.00 0.00 16 Q 8.29 3.98 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 17 T 7.61 3.91 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 1.22 0.00 0.00 18 V 7.43 3.69 1.86 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 0.97 0.00 0.00 1.01 0.00 0.00 19 T 7.46 3.76 4.33 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 1.17 0.00 0.00 20 D 7.91 4.49 0.00 2.81 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 0.00 21 Y 7.57 4.81 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 4.03 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.66 7.81 24 D 7.55 4.26 0.00 2.72 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 25 L 7.54 3.97 0.00 1.48 1.45 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.69 3.96 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 27 E 8.18 4.00 0.00 2.04 1.96 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 2.30 2.51 0.00 28 K 7.48 4.05 0.00 1.80 1.84 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 V 7.52 3.83 2.15 0.00 0.00 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 0.98 0.00 0.00 30 K 7.36 4.40 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.68 7.81 31 S 7.32 4.52 0.00 3.87 3.87 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 32 P 0.00 4.37 0.00 2.15 2.06 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 33 E 8.84 4.46 0.00 1.90 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 0.00 2.18 2.41 0.00 34 L 7.71 4.54 0.00 1.64 1.56 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.22 4.41 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.17 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 36 A 7.91 3.94 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 37 E 8.73 4.00 0.00 2.00 1.90 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 2.42 2.35 0.00 *39 K 8.37 3.77 0.00 1.81 1.95 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.44 7.81 40 S 7.64 4.58 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 41 Y 7.62 3.98 0.00 2.80 2.47 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 0.00 42 F 7.49 4.77 0.00 3.29 2.98 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 0.00 0.00 0.00 43 E 7.91 4.06 0.00 2.10 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 2.37 2.36 0.00 44 K 8.17 4.37 0.00 1.77 1.69 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.31 7.81 45 S 7.54 3.99 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 46 K 7.75 4.19 0.00 1.88 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.63 7.81 47 E 7.66 4.33 0.00 2.11 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 2.30 2.59 0.00 48 Q 7.64 4.42 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 49 L 7.34 4.10 0.00 1.86 1.58 0.91 0.65 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 50 T 7.82 4.01 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 51 P 0.00 4.36 0.00 2.16 2.12 0.00 3.47 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 2.23 2.13 0.00 52 L 7.25 3.93 0.00 1.65 1.80 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.64 3.92 1.85 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 1.51 0.71 0.89 0.00 0.00 54 K 7.84 4.13 0.00 1.74 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.41 7.81 55 K 8.03 4.01 0.00 2.02 1.93 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 56 A 7.77 4.06 1.34 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 0.00 0.00 57 G 7.69 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.34 4.40 4.18 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 1.22 0.00 0.00 59 E 7.50 4.00 0.00 1.77 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 1.55 1.87 0.00 60 L 7.28 3.76 0.00 1.72 1.64 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.65 3.54 2.22 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 0.79 0.00 0.00 0.93 0.00 0.00 62 N 7.83 4.54 0.00 2.77 2.85 0.00 0.00 7.18 8.13 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 63 F 7.72 4.72 0.00 3.16 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 64 L 7.66 3.26 0.00 1.62 1.58 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.75 4.17 0.00 4.06 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 0.00 66 Y 8.10 4.35 0.00 3.07 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 67 F 8.32 4.22 0.00 3.25 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 68 V 7.87 3.75 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 0.85 0.00 0.00 1.03 0.00 0.00 69 E 7.68 4.04 0.00 2.19 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 2.35 2.33 0.00 70 L 7.20 4.16 0.00 1.43 1.56 0.22 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.05 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 0.00 0.00 0.00 72 T 8.61 3.64 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 1.21 0.00 0.00 73 Q 8.05 4.01 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 74 P 0.00 4.31 0.00 2.15 2.15 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 75 A 7.37 4.28 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.