NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3130 8.3344 115.2884 58.0732 63.0322 172.9275 3 I 4.2431 8.0697 127.7639 56.7653 40.0376 173.8023 4 T 4.2540 8.5871 119.2648 61.0127 71.9951 174.5653 5 S 4.0763 8.6921 116.0002 62.0980 62.3741 176.1368 6 D 4.4663 8.0752 120.9050 57.7815 40.7690 179.3224 7 E 4.0826 7.8698 118.7886 59.1766 29.4387 179.8408 8 V 3.7245 7.7671 118.9361 64.7078 31.5019 177.8622 9 N 4.5523 8.7932 117.8352 56.3325 38.4356 176.6680 10 F 4.5752 8.5981 121.5348 61.7337 39.5464 176.8303 11 L 3.9231 8.1210 118.1370 58.1258 41.4389 179.9791 12 V 3.5449 7.8298 117.6172 65.8246 31.4514 177.0573 13 Y 4.0766 8.6895 120.5322 61.1732 38.4296 178.3856 14 R 3.3465 8.2927 118.8716 59.3414 30.2614 178.1987 15 Y 4.1288 7.8858 119.0101 60.9983 38.5774 178.8465 16 L 3.7240 7.8142 119.6848 57.7051 41.7506 179.0573 17 Q 3.7957 7.3461 117.7589 59.1393 28.5412 178.7467 18 E 3.8541 8.2782 119.4840 59.4037 29.7150 178.9916 19 S 4.4761 7.5901 111.5998 57.7972 62.9790 173.9455 20 G 3.6240 7.7750 107.9476 47.2402 0.0000 174.3488 21 F 4.8329 7.6609 114.3635 56.5446 40.0137 178.5245 22 S 4.0188 8.1819 116.1013 62.2594 62.3395 174.2335 23 H 4.2319 8.2688 117.9290 59.4502 28.3867 177.5890 24 S 4.1800 8.2954 115.6914 61.6722 62.4243 176.2700 25 A 4.0679 8.0340 123.3101 55.4090 17.5252 179.5661 26 F 4.3202 8.5335 119.1412 61.8340 39.5493 177.6497 27 T 3.7449 8.0164 114.7155 66.5197 68.2785 176.2837 28 F 4.1235 8.7161 123.0000 61.5509 39.4652 177.0735 29 G 3.6994 8.0592 104.3696 48.1737 0.0000 175.4401 30 I 3.6908 6.8784 120.0793 63.5424 37.6676 177.2569 31 E 3.8165 7.9699 120.9311 59.3417 29.5638 178.5349 32 S 3.9069 7.8392 109.7430 57.9078 62.8237 173.4252 33 H 4.0009 7.5744 116.6216 56.6958 26.7349 176.6263 34 I 3.6529 7.4567 120.4751 63.6656 38.0780 177.8158 35 S 4.0927 7.9081 113.9732 60.9471 63.0243 174.7650 36 Q 4.3491 7.7689 117.6340 55.5381 28.6342 175.3741 37 S 4.4098 7.4882 113.7036 57.6307 63.6237 173.9605 38 N 4.6731 8.4007 126.1772 53.0592 38.1077 174.7932 39 I 4.2023 7.2047 118.6226 59.7423 40.0044 176.8400 40 N 4.6485 8.1252 124.4245 52.2707 37.4615 174.8085 41 G 4.0836 7.8296 107.2820 45.7218 0.0000 173.3654 42 T 3.9142 7.5314 112.6227 64.2878 68.8849 175.8186 43 L 4.2058 7.6556 119.4780 55.4706 42.0848 176.9930 44 V 3.9895 7.0849 119.4495 61.3682 32.1376 173.8065 45 P 4.7860 0.0000 0.0000 60.2786 31.7948 173.3719 46 P 4.7382 0.0000 0.0000 63.5203 31.7634 176.4918 47 A 3.9802 10.5872 123.4659 53.0373 17.0592 179.6537 48 A 4.0306 7.5387 122.4300 56.7800 18.3862 180.0232 49 L 3.8383 7.8966 118.2392 58.5002 42.1910 178.9431 50 I 3.6150 7.5631 119.4085 64.3106 37.0896 178.1620 51 S 4.1698 8.2777 114.8593 61.7316 62.6521 176.7001 52 I 3.6532 7.7451 123.1329 64.1204 36.8172 178.2781 53 L 3.9315 7.8996 119.7437 57.8553 41.5209 179.3695 54 Q 3.9438 8.6043 119.6580 59.1547 29.0987 178.6412 55 K 4.2501 8.4410 119.8617 59.3815 32.2792 179.3489 56 G 3.7148 8.6028 106.3131 48.0011 0.0000 175.4628 57 L 4.1378 8.1937 121.8669 57.7298 41.5773 179.7699 58 Q 4.7594 8.0501 118.9931 58.7034 28.4175 178.1916 59 Y 4.0136 7.8954 119.3377 60.1980 38.9755 178.1717 60 V 3.7894 7.4483 118.3615 66.0062 31.7114 177.5393 61 E 3.9114 8.1494 118.0324 59.7990 28.8846 179.5110 62 A 4.1068 8.3062 122.0412 54.1820 18.2583 179.1812 63 E 3.9678 8.0233 115.8852 58.4597 29.4919 178.4665 64 I 4.1109 7.5961 119.5037 62.9757 37.8087 177.8101 65 S 4.1236 7.8377 115.5183 60.9454 63.0034 176.5088 66 I 3.7340 7.3629 117.6275 64.0641 37.2150 176.3392 *67 N 4.5094 7.4260 121.6438 52.4002 38.2222 178.4444 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 S 8.33 4.31 0.00 3.83 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 3 I 8.07 4.24 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.90 0.00 0.00 4 T 8.59 4.25 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 5 S 8.69 4.08 0.00 3.92 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 6 D 8.08 4.47 0.00 2.77 2.74 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 7 E 7.87 4.08 0.00 2.15 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 2.31 2.31 0.00 8 V 7.77 3.72 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 0.98 0.00 0.00 0.97 0.00 0.00 9 N 8.79 4.55 0.00 3.14 3.22 0.00 0.00 6.66 8.03 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 10 F 8.60 4.58 0.00 3.35 3.36 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 11 L 8.12 3.92 0.00 2.05 1.77 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.83 3.54 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 0.33 0.00 0.00 0.84 0.00 0.00 13 Y 8.69 4.08 0.00 3.26 3.10 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 0.00 0.00 0.00 0.00 14 R 8.29 3.35 0.00 1.60 1.77 0.00 3.14 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.19 0.00 15 Y 7.89 4.13 0.00 2.99 3.10 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 0.00 0.00 0.00 0.00 16 L 7.81 3.72 0.00 1.71 1.58 0.68 0.47 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 17 Q 7.35 3.80 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.19 1.94 0.00 18 E 8.28 3.85 0.00 1.93 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 2.28 2.21 0.00 19 S 7.59 4.48 0.00 3.52 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 20 G 7.77 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 21 F 7.66 4.83 0.00 3.13 2.84 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 22 S 8.18 4.02 0.00 3.81 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 23 H 8.27 4.23 0.00 3.29 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.30 4.18 0.00 4.02 3.91 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 25 A 8.03 4.07 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 26 F 8.53 4.32 0.00 3.17 3.39 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 27 T 8.02 3.74 4.36 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 1.25 0.00 0.00 28 F 8.72 4.12 0.00 3.16 3.23 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 29 G 8.06 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.88 3.69 1.73 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.77 0.00 0.00 31 E 7.97 3.82 0.00 2.02 1.67 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 2.16 2.14 0.00 32 S 7.84 3.91 0.00 3.48 2.63 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 0.00 0.00 0.00 0.00 33 H 7.57 4.00 0.00 3.26 3.25 0.00 5.63 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.46 3.65 1.57 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.45 0.00 0.00 35 S 7.91 4.09 0.00 3.98 3.94 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 0.00 0.00 0.00 36 Q 7.77 4.35 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 37 S 7.49 4.41 0.00 3.77 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 38 N 8.40 4.67 0.00 2.67 2.71 0.00 0.00 6.95 7.94 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 39 I 7.20 4.20 1.27 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 -0.19 0.00 0.00 40 N 8.13 4.65 0.00 2.65 2.64 0.00 0.00 7.11 7.97 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 41 G 7.83 4.08 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 0.00 0.00 0.00 42 T 7.53 3.91 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 1.25 0.00 0.00 43 L 7.66 4.21 0.00 1.84 1.76 0.91 0.69 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 44 V 7.08 3.99 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 0.98 0.00 0.00 0.97 0.00 0.00 45 P 0.00 4.79 0.00 2.22 2.07 0.00 3.64 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 1.96 2.12 0.00 46 P 0.00 4.74 0.00 2.21 2.04 0.00 4.05 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 2.13 2.07 0.00 47 A 10.59 3.98 1.33 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 0.00 0.00 0.00 48 A 7.54 4.03 1.44 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 0.00 0.00 0.00 49 L 7.90 3.84 0.00 1.87 1.48 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.56 3.61 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.43 0.90 0.00 0.00 51 S 8.28 4.17 0.00 4.06 4.14 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 0.00 0.00 0.00 0.00 52 I 7.75 3.65 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.88 0.00 0.00 53 L 7.90 3.93 0.00 1.97 1.67 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.60 3.94 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 55 K 8.44 4.25 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.73 7.81 56 G 8.60 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 0.00 0.00 0.00 57 L 8.19 4.14 0.00 2.02 1.75 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.05 4.76 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 59 Y 7.90 4.01 0.00 3.09 3.18 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 60 V 7.45 3.79 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 1.00 0.00 0.00 1.04 0.00 0.00 61 E 8.15 3.91 0.00 2.22 2.01 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 2.34 2.53 0.00 62 A 8.31 4.11 1.28 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 0.00 0.00 0.00 63 E 8.02 3.97 0.00 2.10 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 2.15 2.11 0.00 64 I 7.60 4.11 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.90 0.90 0.00 0.00 65 S 7.84 4.12 0.00 3.98 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 0.00 66 I 7.36 3.73 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.92 0.00 0.00 *67 N 7.43 4.51 0.00 2.32 2.66 0.00 0.00 6.86 7.44 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 * Residues marked with a * may have inaccurate shift predictions.