NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1445 0.0000 0.0000 64.2216 32.4613 177.0611 3 K 3.6616 8.6593 114.1269 56.8464 28.4690 171.9650 4 M 4.0575 9.0421 123.5378 55.6320 33.5262 176.3646 5 K 4.4164 8.3566 122.0891 55.4556 33.5384 176.9180 6 T 4.0952 8.1784 112.6053 61.7319 69.7576 175.1999 7 H 4.4876 8.7753 124.1341 55.1193 28.9577 176.0656 8 K 3.9340 8.4503 125.4940 59.2178 31.8892 178.0297 9 G 3.9952 7.8222 105.1274 48.1660 0.0000 174.5724 10 A 4.1999 8.4595 123.1756 54.7413 17.9258 179.4235 11 K 3.9228 8.0130 117.9409 59.6113 32.0733 178.9274 12 K 3.9249 8.6841 117.8918 57.9621 32.0091 177.6242 13 R 4.6408 7.7123 113.1773 55.2417 30.4558 175.1885 14 V 4.6237 7.4811 117.6033 61.4350 35.0673 173.8671 15 K 4.5578 8.9718 128.6516 54.6493 34.4801 174.3176 16 I 4.7777 8.2919 128.2512 58.7568 38.6357 176.5940 17 T 4.3370 8.5697 120.0594 61.4944 67.9851 174.0023 18 A 4.5273 8.5377 117.3495 53.7225 20.7775 178.4754 19 S 4.2077 7.9160 106.3079 59.5847 62.7929 174.7102 20 G 3.8908 8.3453 109.0104 45.7452 0.0000 173.2872 21 K 4.5486 7.8542 118.2382 54.5831 34.5829 175.8168 22 V 4.4981 8.2693 124.0374 61.7562 33.2979 174.6025 23 V 5.5973 8.9434 126.9898 60.2124 34.9821 174.1134 24 A 5.0433 8.3031 127.3044 50.6653 23.4535 175.2197 25 M 4.5354 8.3867 117.3277 55.1183 32.0533 175.3337 26 K 4.5065 8.3645 118.9583 55.1892 34.0604 176.0671 27 T 4.1256 8.2149 114.5909 62.3944 69.7202 173.2142 28 G 3.9157 8.7759 115.5150 46.3160 0.0000 175.2110 29 K 4.3357 8.0338 118.7447 57.9173 32.6373 175.2949 30 R 3.7492 7.8127 119.0591 57.0667 28.7187 174.6748 31 H 3.9254 9.3607 122.5222 60.3371 26.2710 178.4489 32 L 3.1562 9.9159 118.9096 51.9161 44.0268 177.1199 33 N 4.3266 8.5198 127.5305 54.2833 39.4414 174.4237 34 W 4.5728 8.3304 126.1553 57.8080 32.0053 176.7347 35 Q 3.5655 7.7428 114.0568 55.6612 25.3671 173.1287 36 K 4.0969 8.3710 120.0192 57.4838 30.7847 176.1599 37 S 3.8122 6.3747 117.0069 56.4502 68.0743 174.0232 38 G 3.8274 9.9973 120.0833 45.5784 0.0000 173.5220 39 K 3.9491 7.9669 118.7706 56.6936 31.3824 175.8943 40 E 4.1999 8.3407 119.7849 59.4980 29.9662 178.4557 41 I 3.8410 8.3200 110.6914 64.2624 37.5181 176.4103 42 R 3.9923 8.2596 119.7223 59.5210 30.3076 177.6965 43 Q 4.4551 7.8900 115.9220 56.0568 26.8388 179.0472 44 K 4.6500 7.4689 116.2713 54.4450 34.3535 178.2125 45 G 4.1308 7.7686 115.3318 45.6026 0.0000 172.5185 46 R 4.9723 8.4296 125.6256 54.3191 33.2457 173.7152 47 K 4.8657 8.7798 118.0311 55.9442 36.4444 174.7404 48 F 5.0252 8.6937 116.7402 56.0287 39.0812 176.0769 49 V 3.9115 8.2768 125.2165 60.9215 30.4540 175.4149 50 L 4.0662 8.3383 128.6442 54.9027 42.8612 177.0691 51 A 4.1352 8.5179 119.7358 53.0790 17.9486 178.7443 52 K 4.2569 10.0982 112.4771 57.0705 31.8433 177.2066 53 P 4.3125 0.0000 0.0000 65.2525 31.7636 177.6338 54 E 4.0423 8.3328 116.8083 59.4061 28.7613 179.1358 55 A 3.9542 7.8390 120.5911 54.7811 18.9418 178.4145 56 E 3.8458 8.0925 117.7874 59.8707 29.5901 179.0512 57 R 3.8972 9.1266 118.1541 59.6701 30.1512 178.9195 58 I 3.8835 7.1681 116.5280 63.2734 37.4622 177.3747 59 K 4.4023 8.2037 118.9002 56.3733 32.4145 177.0251 60 L 4.7214 8.1983 120.8654 53.7215 42.6144 178.6549 61 L 3.9405 8.3578 120.6339 57.9866 41.8472 178.9606 62 L 4.4616 7.9299 116.6976 56.4889 42.2177 176.2560 63 P 4.1906 0.0000 0.0000 64.1166 30.9692 176.4554 64 Y 3.1962 7.7942 119.6161 58.2158 37.6886 170.7468 *65 E 4.1515 8.4921 114.3072 56.4731 30.5285 172.9546 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 P 0.00 4.14 0.00 2.20 2.14 0.00 3.80 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 1.89 2.00 0.00 3 K 8.66 3.66 0.00 1.93 2.04 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.53 7.81 4 M 9.04 4.06 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 5 K 8.36 4.42 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 6 T 8.18 4.10 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 1.24 0.00 0.00 7 H 8.78 4.49 0.00 3.24 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.45 3.93 0.00 1.73 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.48 7.81 9 G 7.82 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 0.00 0.00 0.00 10 A 8.46 4.20 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 11 K 8.01 3.92 0.00 1.89 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 12 K 8.68 3.92 0.00 1.85 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.59 7.81 13 R 7.71 4.64 0.00 1.88 1.96 0.00 3.03 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 14 V 7.48 4.62 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 0.81 0.00 0.00 0.93 0.00 0.00 15 K 8.97 4.56 0.00 1.87 1.64 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81 16 I 8.29 4.78 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.93 0.00 0.00 17 T 8.57 4.34 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 18 A 8.54 4.53 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 19 S 7.92 4.21 0.00 3.97 3.98 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 20 G 8.35 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 0.00 0.00 0.00 21 K 7.85 4.55 0.00 1.77 1.76 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 22 V 8.27 4.50 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 0.95 0.00 0.00 0.93 0.00 0.00 23 V 8.94 5.60 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 1.13 0.00 0.00 1.03 0.00 0.00 24 A 8.30 5.04 1.23 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 0.00 0.00 0.00 25 M 8.39 4.54 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 26 K 8.36 4.51 0.00 1.74 1.66 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.30 7.81 27 T 8.21 4.13 4.21 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 1.18 0.00 0.00 28 G 8.78 3.92 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 0.00 0.00 0.00 29 K 8.03 4.34 0.00 1.86 1.87 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.61 7.81 30 R 7.81 3.75 0.00 1.81 1.85 0.00 3.37 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 31 H 9.36 3.93 0.00 3.28 3.30 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.92 3.16 0.00 1.72 1.98 1.18 0.19 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 33 N 8.52 4.33 0.00 2.97 3.03 0.00 0.00 6.79 7.95 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 34 W 8.33 4.57 0.00 3.20 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 35 Q 7.74 3.57 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 36 K 8.37 4.10 0.00 1.59 1.64 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 37 S 6.37 3.81 0.00 4.01 3.84 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 38 G 10.00 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 0.00 0.00 0.00 39 K 7.97 3.95 0.00 1.93 1.95 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 40 E 8.34 4.20 0.00 2.10 2.03 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 2.23 2.17 0.00 41 I 8.32 3.84 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 1.20 0.00 0.00 42 R 8.26 3.99 0.00 1.83 2.25 0.00 3.27 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 43 Q 7.89 4.46 0.00 2.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 44 K 7.47 4.65 0.00 1.86 1.71 0.00 1.62 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.35 1.46 7.81 45 G 7.77 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 0.00 0.00 0.00 46 R 8.43 4.97 0.00 1.71 1.89 0.00 3.25 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 47 K 8.78 4.87 0.00 1.65 1.82 0.00 1.01 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 1.58 7.81 48 F 8.69 5.03 0.00 3.10 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 49 V 8.28 3.91 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 0.69 0.00 0.00 0.89 0.00 0.00 50 L 8.34 4.07 0.00 1.84 1.53 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.52 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 52 K 10.10 4.26 0.00 1.96 1.83 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 53 P 0.00 4.31 0.00 2.26 2.44 0.00 3.74 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 54 E 8.33 4.04 0.00 2.20 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 0.00 2.54 2.39 0.00 55 A 7.84 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 56 E 8.09 3.85 0.00 2.27 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 2.31 2.42 0.00 57 R 9.13 3.90 0.00 1.89 1.93 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 58 I 7.17 3.88 1.96 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 1.85 0.72 0.90 0.00 0.00 59 K 8.20 4.40 0.00 1.89 1.83 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.59 7.81 60 L 8.20 4.72 0.00 1.60 1.64 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.36 3.94 0.00 1.66 1.80 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.93 4.46 0.00 1.68 1.75 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.19 0.00 2.22 2.26 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 64 Y 7.79 3.20 0.00 3.04 3.05 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 *65 E 8.49 4.15 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.