NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 T 4.7129 8.1216 110.8855 61.6934 70.0447 172.5239 14 L 4.6934 8.4159 127.3807 52.8082 46.0994 173.1413 15 T 5.1375 8.2613 119.1306 61.6465 71.7002 173.0666 16 I 4.6963 8.9058 119.5706 59.0169 41.4240 174.4483 17 R 5.0487 8.5381 121.8369 54.4980 32.9792 174.7384 18 L 4.7513 9.1864 124.4095 52.9448 44.0888 175.9014 19 L 5.0731 8.3329 125.1513 53.1466 44.5476 174.9397 *21 H 4.7471 8.4831 118.3649 55.3708 30.1368 175.1989 22 G 3.6224 8.5476 108.4548 48.0877 0.0000 176.2195 23 K 3.8750 8.1002 120.2020 60.0297 32.2311 177.9273 24 E 4.1745 7.9209 118.0998 58.4852 29.5931 179.1414 25 V 3.5853 8.0514 119.0955 65.5791 31.5000 178.1763 26 G 3.6801 8.0960 105.5774 47.8633 0.0000 175.6422 27 S 4.1965 7.9502 115.0863 60.9613 63.5805 176.2242 28 I 3.8485 7.3418 123.2937 64.2163 36.8323 178.4884 29 I 3.8301 7.6864 120.5659 63.0024 37.2030 177.7591 30 G 4.1561 7.9710 104.3416 44.4580 0.0000 172.5293 31 K 3.9011 8.2795 117.5598 57.8550 32.0062 177.9868 32 K 3.7251 9.3904 121.9139 56.9521 29.5129 176.9202 33 G 3.9494 8.2321 107.3575 45.4124 0.0000 175.3134 34 E 3.8562 8.2575 121.3448 59.3738 29.3052 178.9530 35 S 4.1035 7.7785 111.5681 61.4779 62.6909 176.2918 36 V 3.7504 7.1842 118.8627 64.3221 31.2590 177.9668 37 K 4.1199 8.0251 120.7236 59.1436 32.0496 179.3728 38 K 3.8814 7.4938 117.7097 57.3150 32.0658 178.3960 *40 R 4.2379 7.9007 115.7802 55.7825 31.8785 177.2674 41 E 3.9394 8.5039 117.0523 60.0253 29.7863 179.0956 42 E 4.1316 8.7041 118.0026 58.9738 29.7446 178.6552 43 S 4.3160 8.1628 112.1219 58.2871 63.8771 174.8412 44 G 3.8640 7.9457 107.1157 46.1598 0.0000 173.0429 45 A 4.5934 7.4010 120.5007 50.4297 20.4418 178.0556 46 R 4.1552 9.1653 121.8088 56.2025 31.3346 175.4328 47 I 5.1035 8.3610 126.3746 59.5030 40.5531 174.1775 48 N 5.0183 9.0042 125.1210 51.7327 42.0750 172.8449 49 I 4.8958 8.3069 126.5571 59.1802 38.9934 175.5266 50 S 4.2179 8.7638 122.9563 58.9188 63.2880 173.8863 51 E 4.3615 8.5386 121.9261 55.8109 31.0451 174.8326 52 G 4.0726 8.7474 110.4271 43.7698 0.0000 174.4267 53 N 4.5056 8.6183 115.8801 54.0188 37.5849 175.3465 54 C 4.1995 7.8911 118.1403 59.8128 28.7372 172.8202 55 P 4.4491 0.0000 0.0000 63.8145 31.0693 175.7586 56 E 4.6809 7.8270 120.1522 55.6180 32.0500 174.2934 57 R 4.8275 8.5601 125.2459 54.4886 35.3268 174.0854 58 I 4.6839 8.5199 121.6782 59.7197 40.2289 174.5909 59 I 4.8306 9.0057 128.0769 59.9662 39.5301 174.6012 60 T 5.0254 9.2893 124.2681 61.7647 70.9593 173.2319 61 L 5.2936 9.1186 126.6302 52.9718 44.4608 175.5695 62 A 5.4048 8.9852 124.0325 49.8016 23.4554 175.7881 63 G 3.6464 8.5833 104.2366 43.4335 0.0000 171.7669 64 P 4.4152 0.0000 0.0000 62.4521 32.1309 177.4654 65 T 3.6845 8.5754 117.1764 67.1981 68.3485 176.3763 66 N 4.4659 8.3492 117.4039 56.0087 38.3965 176.9513 67 A 4.2264 7.9042 121.8806 54.7437 19.1514 179.1985 68 I 3.5805 7.6788 117.9092 64.7996 37.1413 178.0342 69 F 4.6013 7.9546 118.4626 60.8063 38.6049 177.8717 70 K 4.0077 7.8850 115.5713 59.5555 32.0110 178.8153 71 A 4.1755 8.0706 119.6355 55.1583 18.6245 179.0504 72 F 4.2282 8.5312 118.8366 61.4067 39.4552 177.1454 73 A 3.8256 8.0195 118.9055 53.4199 18.8217 178.9844 *75 I 3.9549 7.6592 121.7984 62.8303 39.4960 177.9724 76 I 3.4869 7.3846 120.8053 64.6755 36.6825 178.1028 77 D 4.3222 8.0461 119.3168 57.3350 40.4220 178.8896 78 K 3.9260 7.8766 118.4847 59.4748 32.3033 178.4079 79 L 4.1356 7.9724 119.0803 57.2446 41.6477 178.5350 80 E 4.2424 7.9028 115.7406 57.5656 30.0577 176.8853 81 E 4.2617 7.7046 123.4998 56.7737 30.0987 176.0893 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 13 T 8.12 4.71 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 1.20 0.00 0.00 14 L 8.42 4.69 0.00 1.76 1.42 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.26 5.14 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 1.19 0.00 0.00 16 I 8.91 4.70 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.96 0.79 0.00 0.00 17 R 8.54 5.05 0.00 1.66 1.85 0.00 3.16 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 18 L 9.19 4.75 0.00 1.69 1.60 1.07 0.47 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 19 L 8.33 5.07 0.00 1.62 1.55 0.90 1.10 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 *21 H 8.48 4.75 0.00 3.27 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.55 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 23 K 8.10 3.88 0.00 1.91 2.01 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.58 7.81 24 E 7.92 4.17 0.00 2.18 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 2.34 2.35 0.00 25 V 8.05 3.59 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 1.01 0.00 0.00 0.98 0.00 0.00 26 G 8.10 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.20 0.00 4.03 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 28 I 7.34 3.85 2.00 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 1.50 1.10 0.90 0.00 0.00 29 I 7.69 3.83 1.87 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 1.46 0.64 0.91 0.00 0.00 30 G 7.97 4.16 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 0.00 0.00 0.00 31 K 8.28 3.90 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.42 7.81 32 K 9.39 3.73 0.00 1.92 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 33 G 8.23 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 34 E 8.26 3.86 0.00 2.10 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 0.00 2.31 2.47 0.00 35 S 7.78 4.10 0.00 3.92 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 36 V 7.18 3.75 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 0.78 0.00 0.00 0.93 0.00 0.00 37 K 8.03 4.12 0.00 1.90 2.09 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 K 7.49 3.88 0.00 1.83 1.88 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.43 7.81 *40 R 7.90 4.24 0.00 2.10 1.98 0.00 3.21 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 41 E 8.50 3.94 0.00 2.04 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 2.36 2.36 0.00 42 E 8.70 4.13 0.00 2.04 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 2.35 2.33 0.00 43 S 8.16 4.32 0.00 4.17 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 44 G 7.95 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 0.00 0.00 0.00 45 A 7.40 4.59 1.22 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 0.00 0.00 46 R 9.17 4.16 0.00 1.87 1.90 0.00 3.03 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 47 I 8.36 5.10 1.88 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 1.24 0.98 0.92 0.00 0.00 48 N 9.00 5.02 0.00 2.77 2.61 0.00 0.00 6.65 7.98 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 49 I 8.31 4.90 1.87 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 0.77 0.91 0.00 0.00 50 S 8.76 4.22 0.00 3.85 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 51 E 8.54 4.36 0.00 1.94 1.87 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 2.23 2.29 0.00 52 G 8.75 4.07 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 0.00 0.00 0.00 53 N 8.62 4.51 0.00 2.84 2.96 0.00 0.00 6.06 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.89 4.20 0.00 3.03 3.06 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 55 P 0.00 4.45 0.00 2.19 2.09 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 56 E 7.83 4.68 0.00 1.96 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 2.23 2.32 0.00 57 R 8.56 4.83 0.00 1.74 1.74 0.00 3.13 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 58 I 8.52 4.68 1.87 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 1.23 0.85 0.91 0.00 0.00 59 I 9.01 4.83 1.90 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 1.23 0.63 0.93 0.00 0.00 60 T 9.29 5.03 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 1.25 0.00 0.00 61 L 9.12 5.29 0.00 1.50 1.55 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.99 5.40 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 63 G 8.58 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.19 1.98 0.00 3.61 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 2.11 2.10 0.00 65 T 8.58 3.68 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 1.00 0.00 0.00 66 N 8.35 4.47 0.00 2.84 2.94 0.00 0.00 7.01 8.12 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 67 A 7.90 4.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 3.58 1.48 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 0.69 0.00 0.00 69 F 7.95 4.60 0.00 3.38 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 70 K 7.88 4.01 0.00 2.08 1.94 0.00 1.66 0.00 0.00 2.02 0.00 0.00 3.37 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.57 7.81 71 A 8.07 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.23 0.00 3.23 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 73 A 8.02 3.83 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 I 7.66 3.95 1.82 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 1.38 0.78 0.80 0.00 0.00 76 I 7.38 3.49 1.77 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.80 0.00 0.00 77 D 8.05 4.32 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.88 3.93 0.00 1.70 1.94 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.57 7.81 79 L 7.97 4.14 0.00 1.77 1.68 0.87 1.15 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 80 E 7.90 4.24 0.00 2.14 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 0.00 2.26 2.29 0.00 81 E 7.70 4.26 0.00 2.11 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 0.00 2.55 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.