NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4858 8.1933 115.4179 57.6417 65.3506 175.5925 18 P 4.1460 0.0000 0.0000 64.4074 30.8340 176.3452 19 R 3.8236 8.6163 119.4262 59.4983 29.9374 177.3951 20 A 4.1157 7.8587 118.8038 53.9895 18.7344 178.8229 21 L 3.5876 7.7784 117.3038 55.1687 41.7006 177.0685 22 V 3.8452 6.7697 120.1729 63.7656 31.8212 176.0186 23 G 4.0522 9.0220 116.3803 45.3825 0.0000 173.5475 24 H 4.4310 8.1362 117.3651 55.7430 29.8416 175.5905 25 R 4.7355 8.4290 120.1404 56.2904 31.2934 175.3659 26 A 4.7734 8.9645 121.3306 50.8056 23.4915 174.5772 27 E 4.8870 8.5539 120.4280 54.2115 32.0491 175.3581 28 V 4.0039 8.9091 128.1689 63.3020 31.9903 176.1496 29 L 4.4206 9.1250 128.3224 55.7673 43.4077 176.9944 30 E 4.7994 7.8821 116.6784 53.9341 33.7832 175.2166 31 D 4.8431 8.8510 122.2675 55.5060 42.2191 175.6304 32 V 4.5348 9.0606 123.7285 61.1489 33.0657 173.3032 33 G 4.2024 9.1249 120.9572 43.7363 0.0000 174.4504 34 A 4.1136 8.9767 123.9493 55.2177 18.5389 178.7976 35 T 4.7518 7.4672 103.4943 60.9424 69.6570 173.2066 36 S 4.5423 7.3385 114.1610 58.1292 65.3876 173.6943 37 G 4.7286 7.3564 110.6013 44.5693 0.0000 171.7086 38 Q 5.1953 8.2940 119.5518 54.3380 33.5000 174.5345 39 V 4.9319 9.1579 115.6469 59.6355 36.8605 174.4427 40 R 4.9891 9.0850 123.8035 55.0617 31.6939 174.9958 41 L 4.7412 8.9996 128.8637 53.7818 45.4252 175.9380 42 D 4.4638 10.0405 127.1238 55.4928 38.4975 174.8325 43 G 3.9921 8.6302 104.8415 45.5207 0.0000 173.5774 44 S 4.9401 8.0065 115.1162 56.5874 67.0426 172.8755 45 I 4.8707 8.2120 121.9438 60.1587 38.1092 175.5012 46 W 4.7037 9.2065 127.0312 54.4621 32.5584 175.5902 47 S 4.8788 8.7485 118.9127 59.2253 63.5584 173.0524 48 A 5.3179 8.7248 123.2133 50.9011 22.5473 175.7785 49 R 4.8202 8.9818 117.5883 54.3245 34.6656 176.2508 50 S 5.0412 9.0637 123.2145 58.6634 65.8779 174.0928 *52 D 4.1623 8.6896 125.3609 54.3089 41.2377 174.6831 53 P 4.5155 0.0000 0.0000 64.6651 31.4283 177.0896 54 T 4.1578 8.3746 108.9522 62.7073 69.3253 173.8303 55 H 4.6921 8.3555 123.1491 54.6847 31.2952 173.2689 56 T 4.7857 7.9702 123.0604 61.9434 70.6936 173.7746 57 F 4.9099 9.0641 124.5951 55.8363 41.0287 175.5257 58 A 4.7593 9.3905 126.4832 50.6605 20.2486 176.1718 59 E 4.0489 8.8194 120.0923 58.4170 29.9134 177.6249 60 G 4.0584 8.9814 114.7914 45.2111 0.0000 173.7248 61 E 4.2379 8.2112 119.3956 56.4712 30.8374 175.9326 62 I 4.7389 8.1804 123.2500 60.2148 38.7467 175.4146 63 V 4.3513 8.6629 119.4152 59.5255 36.0026 174.2961 64 S 5.0526 8.5276 117.6144 56.7309 65.6178 174.1027 65 V 4.2772 9.0056 125.6443 62.8031 31.7899 176.0429 66 I 4.4312 8.5752 121.5865 60.8917 38.7251 174.6636 67 D 4.5776 7.4708 120.7665 53.8121 44.6644 173.8200 68 I 4.9490 8.2951 122.3012 59.5977 40.7375 175.1012 69 Q 4.4758 9.2228 126.6542 54.5797 31.4772 177.9901 70 G 3.9626 9.1942 116.9310 46.8721 0.0000 173.4269 71 T 4.8794 9.2300 107.4458 61.3665 69.7150 173.4574 72 T 4.9534 8.0287 119.1269 62.4429 70.9783 173.5882 73 A 4.4706 9.2015 129.3737 51.7429 20.0915 175.9707 74 I 4.8089 8.7570 123.8776 59.8147 39.1260 175.4360 75 V 4.9824 8.6552 120.1838 59.6780 35.0051 174.8410 76 W 5.5561 8.8242 131.6000 56.1283 34.5668 173.7750 77 K 3.9778 7.1790 118.6970 56.3229 32.0198 177.0700 78 E 3.7581 8.5153 124.2751 56.2464 30.2148 176.6016 79 A 4.0822 8.2685 128.0193 52.0315 20.3032 176.9301 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 17 S 8.19 4.49 0.00 4.05 4.22 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 18 P 0.00 4.15 0.00 2.34 2.38 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 19 R 8.62 3.82 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 20 A 7.86 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 3.59 0.00 1.46 1.21 0.03 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 V 6.77 3.85 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 0.75 0.00 0.00 0.89 0.00 0.00 23 G 9.02 4.05 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 0.00 24 H 8.14 4.43 0.00 3.12 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.43 4.74 0.00 1.65 1.81 0.00 3.16 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 26 A 8.96 4.77 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 27 E 8.55 4.89 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 2.22 2.22 0.00 28 V 8.91 4.00 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 1.12 0.00 0.00 0.98 0.00 0.00 29 L 9.13 4.42 0.00 1.55 1.72 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.88 4.80 0.00 1.87 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 2.31 2.27 0.00 31 D 8.85 4.84 0.00 2.71 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 32 V 9.06 4.53 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 1.22 0.00 0.00 1.07 0.00 0.00 33 G 9.12 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 0.00 0.00 0.00 0.00 34 A 8.98 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.47 4.75 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 1.23 0.00 0.00 36 S 7.34 4.54 0.00 3.99 3.97 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 0.00 0.00 0.00 37 G 7.36 4.73 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 0.00 0.00 0.00 38 Q 8.29 5.20 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 39 V 9.16 4.93 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 0.74 0.00 0.00 1.04 0.00 0.00 40 R 9.08 4.99 0.00 1.88 1.83 0.00 3.06 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 41 L 9.00 4.74 0.00 1.59 1.29 0.79 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 42 D 10.04 4.46 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 44 S 8.01 4.94 0.00 4.20 3.76 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 0.00 0.00 0.00 45 I 8.21 4.87 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 0.96 0.00 0.00 46 W 9.21 4.70 0.00 3.27 3.22 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 47 S 8.75 4.88 0.00 3.87 3.85 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 48 A 8.72 5.32 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 49 R 8.98 4.82 0.00 1.74 1.84 0.00 3.50 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 50 S 9.06 5.04 0.00 3.96 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 *52 D 8.69 4.16 0.00 2.22 2.64 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 0.00 0.00 0.00 0.00 53 P 0.00 4.52 0.00 2.24 2.19 0.00 3.80 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 2.00 1.96 0.00 54 T 8.37 4.16 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 1.23 0.00 0.00 55 H 8.36 4.69 0.00 3.27 3.56 0.00 5.92 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.97 4.79 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 1.21 0.00 0.00 57 F 9.06 4.91 0.00 3.01 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 58 A 9.39 4.76 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 59 E 8.82 4.05 0.00 1.96 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 2.35 2.49 0.00 60 G 8.98 4.06 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 0.00 0.00 0.00 61 E 8.21 4.24 0.00 2.12 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 2.37 2.46 0.00 62 I 8.18 4.74 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.91 0.00 0.00 63 V 8.66 4.35 1.71 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 -0.04 0.00 0.00 0.78 0.00 0.00 64 S 8.53 5.05 0.00 3.88 3.73 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 65 V 9.01 4.28 2.16 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 0.87 0.00 0.00 0.81 0.00 0.00 66 I 8.58 4.43 1.88 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 1.17 0.85 0.97 0.00 0.00 67 D 7.47 4.58 0.00 2.75 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 68 I 8.30 4.95 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.10 1.05 0.00 0.00 69 Q 9.22 4.48 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.74 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 9.19 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 71 T 9.23 4.88 4.15 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 1.21 0.00 0.00 72 T 8.03 4.95 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 1.28 0.00 0.00 73 A 9.20 4.47 1.19 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 0.00 0.00 74 I 8.76 4.81 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.94 0.00 0.00 75 V 8.66 4.98 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 0.60 0.00 0.00 0.90 0.00 0.00 76 W 8.82 5.56 0.00 3.29 2.90 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 0.00 0.00 0.00 77 K 7.18 3.98 0.00 1.24 1.51 0.00 1.48 0.00 0.00 1.41 0.00 0.00 2.32 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.05 0.21 7.81 78 E 8.52 3.76 0.00 2.03 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 2.25 2.25 0.00 79 A 8.27 4.08 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 * Residues marked with a * may have inaccurate shift predictions.