NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.3011 8.2601 123.5896 51.6863 19.0789 176.5278 41 A 4.1560 8.4487 125.2973 51.5495 19.0934 174.5498 42 P 4.5239 0.0000 0.0000 62.1811 33.0265 174.6956 43 E 4.3358 8.3811 119.3012 56.1539 30.0451 177.0751 44 S 4.8078 8.6199 115.7664 58.0073 64.4993 172.8601 45 F 5.0611 8.5219 114.1800 56.2706 41.5494 172.9242 46 D 5.0742 8.5650 118.4418 53.7335 43.9264 173.9298 47 E 4.7806 9.1029 122.7933 56.1142 33.7358 174.3552 48 V 4.6109 8.4551 119.9089 61.2754 32.8264 173.9793 49 Y 4.6713 9.2415 128.9741 56.6150 40.7554 175.5720 50 K 3.7375 9.2503 128.1462 57.5290 29.4411 176.1577 51 G 3.9320 8.1425 103.2175 45.7950 0.0000 173.3557 52 R 4.6396 7.7025 118.6860 54.0056 33.1873 174.5538 53 R 4.9092 8.8186 122.4869 55.5682 31.4591 174.9667 54 I 5.1935 8.9444 120.4933 59.3644 40.5147 174.6405 55 Q 4.5975 9.1719 123.4003 54.1053 33.2939 174.3845 56 G 4.0839 7.4233 108.3136 44.6680 0.0000 171.5551 57 R 4.6918 7.5748 116.7917 53.7492 32.9957 172.5177 58 P 4.2483 0.0000 0.0000 63.6503 31.6358 174.6662 59 A 4.0141 9.0483 125.6711 53.9548 19.4187 177.8956 *71 G 4.1204 7.8631 100.6926 44.9486 0.0000 171.0773 72 Y 5.2853 7.8872 120.8585 56.1046 42.6638 173.1503 73 E 4.7760 8.8676 125.0792 54.4447 33.2750 175.1288 74 V 4.8249 7.7943 121.6537 61.1479 35.5959 174.0498 75 F 5.2648 9.3810 124.2745 55.6985 43.6614 173.9861 76 V 4.6658 9.1120 122.7384 61.2669 33.7797 175.1791 77 D 4.5594 10.3808 130.1721 55.4069 38.7680 175.4653 78 G 3.9223 8.6497 107.6273 45.1869 0.0000 174.1982 79 V 4.1997 7.6112 120.5622 61.1116 32.4413 175.0115 80 Q 4.0202 8.8142 128.6071 55.9621 29.5321 174.5286 81 L 4.6950 8.2564 127.1857 53.1295 44.2214 175.3861 82 H 4.3888 8.8763 126.8177 56.5682 30.7868 174.2867 83 V 5.0585 8.1855 117.6223 60.0676 35.9055 174.6510 84 M 4.8260 9.3322 121.4145 53.7420 36.6730 174.0006 85 R 3.6283 7.8909 121.7315 54.3333 31.6171 175.7762 86 N 4.5173 8.5672 123.7204 51.9554 39.8149 175.9806 87 A 3.8612 8.4664 123.2419 55.5225 18.3939 178.5246 88 D 4.4991 7.8893 111.9368 53.7202 39.5982 177.2310 89 G 3.8495 8.0934 109.8064 45.2450 0.0000 173.9826 90 S 4.7189 8.2386 115.1484 57.7772 65.1861 172.9030 91 W 5.4621 9.7075 119.6929 55.0449 33.5038 174.6895 92 I 5.0400 8.7056 114.0363 59.6213 41.2747 173.7725 93 S 5.2319 8.0385 117.6639 56.1280 66.0993 175.3580 94 V 3.8039 8.5427 119.1702 64.4860 31.1541 177.5004 95 V 4.1387 7.6559 112.3699 61.2535 31.8860 176.8723 96 S 4.6936 7.6192 112.5662 57.9322 63.6324 175.4850 97 H 4.3008 8.0595 116.2362 57.9268 29.9455 174.3217 98 Y 4.8188 7.7618 112.6158 57.9202 39.4518 175.1596 99 D 4.7844 7.7733 120.5403 50.9105 41.3929 172.6400 100 P 4.6138 0.0000 0.0000 62.3857 32.2466 176.8897 101 V 4.5833 8.7302 114.6888 58.4754 34.9561 174.9513 102 P 4.0705 0.0000 0.0000 65.7507 31.2979 176.6898 103 T 4.5307 7.3563 107.1942 58.1663 73.2132 172.7721 104 P 3.5863 0.0000 0.0000 65.3622 31.0138 179.0113 105 R 2.8173 7.2153 116.8132 58.8200 29.8598 178.2592 106 A 3.7297 7.5603 120.5033 54.9125 18.3366 179.5125 107 A 3.9175 7.8204 119.1915 55.1555 18.4611 179.7733 108 A 4.0211 8.0695 119.5218 55.4012 18.4767 180.1496 109 R 3.6677 8.1125 116.6515 59.0990 29.9024 179.1539 110 A 4.0300 8.1596 120.5743 54.8449 18.3117 179.6053 111 A 3.9381 8.0482 119.3842 55.4318 18.2996 179.9784 112 V 3.6729 8.0273 116.7872 66.1814 31.3373 177.8823 113 D 4.4562 8.2031 117.7027 57.5030 40.8436 178.0661 114 E 4.1113 8.2046 118.3430 59.4243 29.8880 178.6620 115 L 4.0638 8.6397 119.1890 55.5229 42.1300 177.0504 116 Q 3.2916 8.8324 117.0168 56.8654 26.6996 174.7638 117 G 3.9447 8.2594 104.5410 45.2498 0.0000 173.6615 118 A 4.1769 7.6840 123.2291 51.0406 18.9515 175.7538 119 P 4.4256 0.0000 0.0000 62.3401 32.1009 176.5629 120 L 4.2670 8.3114 122.0830 54.5327 42.4099 176.3595 121 L 4.5733 8.1889 122.1804 52.5492 43.0883 175.0698 122 P 4.4422 0.0000 0.0000 63.0950 31.2878 176.1077 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 40 A 8.26 4.30 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 41 A 8.45 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 1.66 1.86 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.20 0.00 43 E 8.38 4.34 0.00 2.03 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 2.35 2.27 0.00 44 S 8.62 4.81 0.00 3.92 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 45 F 8.52 5.06 0.00 3.14 3.16 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 46 D 8.57 5.07 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 4.78 0.00 2.13 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 2.34 2.35 0.00 48 V 8.46 4.61 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 0.84 0.00 0.00 0.96 0.00 0.00 49 Y 9.24 4.67 0.00 3.17 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 50 K 9.25 3.74 0.00 1.25 1.55 0.00 1.15 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.05 0.71 7.81 51 G 8.14 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.70 4.64 0.00 2.02 1.85 0.00 3.13 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 53 R 8.82 4.91 0.00 1.94 1.83 0.00 3.05 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 54 I 8.94 5.19 2.19 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 1.53 0.93 1.08 0.00 0.00 55 Q 9.17 4.60 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 56 G 7.42 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 57 R 7.57 4.69 0.00 1.65 1.76 0.00 2.69 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.41 0.00 58 P 0.00 4.25 0.00 2.13 2.22 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 59 A 9.05 4.01 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 *71 G 7.86 4.12 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 0.00 0.00 0.00 72 Y 7.89 5.29 0.00 3.32 2.93 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 0.00 0.00 0.00 73 E 8.87 4.78 0.00 1.73 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 2.12 2.14 0.00 74 V 7.79 4.82 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 1.11 0.00 0.00 1.12 0.00 0.00 75 F 9.38 5.26 0.00 2.92 2.85 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 76 V 9.11 4.67 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 1.06 0.00 0.00 1.01 0.00 0.00 77 D 10.38 4.56 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 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 79 V 7.61 4.20 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 1.01 0.00 0.00 0.98 0.00 0.00 80 Q 8.81 4.02 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 1.99 1.31 0.00 81 L 8.26 4.69 0.00 1.59 1.48 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.88 4.39 0.00 3.31 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.19 5.06 2.33 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 0.89 0.00 0.00 1.11 0.00 0.00 84 M 9.33 4.83 0.00 1.73 1.79 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 2.48 2.41 0.00 85 R 7.89 3.63 0.00 0.67 1.09 0.00 2.94 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 86 N 8.57 4.52 0.00 2.78 2.59 0.00 0.00 6.55 7.17 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 87 A 8.47 3.86 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 88 D 7.89 4.50 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 89 G 8.09 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 0.00 0.00 0.00 90 S 8.24 4.72 0.00 4.09 4.02 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 0.00 0.00 0.00 91 W 9.71 5.46 0.00 3.13 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 92 I 8.71 5.04 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.90 0.00 0.00 93 S 8.04 5.23 0.00 4.02 4.02 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 0.00 0.00 0.00 94 V 8.54 3.80 2.20 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 0.75 0.00 0.00 0.96 0.00 0.00 95 V 7.66 4.14 2.26 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 0.75 0.00 0.00 0.97 0.00 0.00 96 S 7.62 4.69 0.00 4.01 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 97 H 8.06 4.30 0.00 2.93 2.58 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.76 4.82 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.77 4.78 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.61 0.00 2.22 2.03 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 101 V 8.73 4.58 2.06 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 0.87 0.00 0.00 0.99 0.00 0.00 102 P 0.00 4.07 0.00 2.16 2.19 0.00 3.69 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 1.94 1.94 0.00 103 T 7.36 4.53 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 1.12 0.00 0.00 104 P 0.00 3.59 0.00 1.71 0.99 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.44 0.00 105 R 7.22 2.82 0.00 0.67 1.30 0.00 2.97 0.00 0.00 2.87 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.85 0.00 106 A 7.56 3.73 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 0.00 107 A 7.82 3.92 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 0.00 108 A 8.07 4.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.11 3.67 0.00 1.64 1.18 0.00 2.70 0.00 0.00 2.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.41 0.00 110 A 8.16 4.03 1.40 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 0.00 0.00 111 A 8.05 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.03 3.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.13 0.00 0.00 113 D 8.20 4.46 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.20 4.11 0.00 2.15 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 2.36 2.71 0.00 115 L 8.64 4.06 0.00 1.73 1.87 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.83 3.29 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 117 G 8.26 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 0.00 0.00 0.00 118 A 7.68 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.43 0.00 2.07 2.01 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 120 L 8.31 4.27 0.00 1.68 1.63 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.19 4.57 0.00 1.64 1.61 0.93 1.06 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 0.00 122 P 0.00 4.44 0.00 2.20 2.06 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.