NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3431 8.1233 123.5804 52.0092 20.6201 177.1764 6 T 4.1578 7.5202 112.9736 63.5469 68.9378 175.2508 *8 K 4.9481 8.3447 122.1253 56.8011 35.3180 177.7606 9 N 4.2884 7.7312 114.8727 56.6260 38.8573 176.7929 10 A 4.0028 7.7816 122.0630 54.9983 18.4474 179.5540 11 A 3.9062 7.8838 118.7289 55.3186 18.7758 179.2193 12 L 3.9112 7.9402 118.8667 58.3633 42.0242 179.4847 13 K 3.9582 8.1385 118.1550 59.5586 32.0015 179.1334 14 Q 3.9694 8.1097 119.8130 59.0573 28.8921 178.0179 15 L 3.9653 8.0663 121.6464 58.3519 42.0647 179.1122 16 T 3.8768 7.8700 109.5395 64.5613 68.6664 176.4223 17 K 3.8715 8.0945 122.5460 59.4899 31.7200 178.5383 18 D 4.3595 8.4160 119.0100 57.2813 40.7344 178.6200 19 A 4.0536 8.3089 121.5193 55.1570 18.2584 179.3749 20 D 4.3836 8.4314 117.7647 57.5622 40.7406 178.8593 21 E 3.9742 8.0453 118.7914 59.4830 29.4835 179.5480 22 I 3.7703 7.5118 119.1583 64.1545 37.1451 178.0296 23 L 3.9374 8.3699 121.6828 58.5465 41.8120 178.2739 24 H 4.0125 8.4468 118.1841 59.4531 29.4975 176.7488 25 L 3.9681 7.6785 121.9103 58.1574 41.9726 179.0629 26 I 3.7368 7.8332 119.6198 64.4460 37.0552 178.5307 27 K 3.9189 8.6231 119.6373 59.5837 31.6466 179.6433 28 V 3.5500 7.7220 117.5117 65.8297 31.4226 177.8454 29 Q 3.9833 7.4122 117.3802 58.6092 28.4696 178.2206 30 L 4.1453 7.7254 119.9504 57.6912 41.6405 178.6564 31 D 4.8121 8.2096 116.1696 54.6547 40.7243 176.0202 32 N 4.6890 7.2478 116.6755 51.5215 40.9424 174.5835 33 L 3.2837 8.3876 125.1671 56.1936 42.7634 174.1096 *38 C 4.3399 8.2749 111.2638 59.1587 29.6499 171.8429 39 P 4.4285 0.0000 0.0000 64.3787 32.0069 176.9481 40 L 4.6659 7.3765 119.1780 53.0031 41.0481 176.9519 41 Y 4.0644 7.6568 119.4253 59.2188 39.4766 175.7373 42 E 4.0505 8.2446 120.1280 59.6644 29.7086 177.8227 43 E 3.9019 7.8818 118.4133 59.2528 29.6857 179.0634 44 V 3.4688 7.5690 117.5615 66.0878 31.4625 177.8885 45 L 4.0823 7.5440 117.0965 57.8069 41.4988 178.8148 46 D 4.5778 8.0656 118.1145 57.7784 41.0412 178.7491 47 T 4.1262 7.7732 115.8134 66.5771 68.4556 177.4698 48 Q 4.2552 7.8581 116.6814 56.5413 28.5299 178.1175 *50 F 4.5236 8.0848 124.1585 58.2541 41.5153 177.1359 51 G 3.7343 8.4417 107.1903 47.8778 0.0000 175.4049 52 L 3.9709 7.9095 122.7530 57.6981 42.1537 178.4592 53 Q 3.9164 8.0672 119.0969 59.4273 28.8448 178.7320 54 K 3.9269 7.8525 119.1445 59.2838 32.0249 179.2024 55 E 4.0021 8.0318 118.6206 59.3269 29.3696 179.4779 56 V 3.5839 8.1950 118.5231 66.2019 31.6115 177.5974 57 D 4.3592 8.5670 118.8301 57.4617 40.3621 178.6261 58 F 4.1639 8.3906 120.6974 61.4730 39.3343 177.1014 59 A 3.8389 8.2581 120.2671 54.8963 18.1700 179.8145 60 V 3.7707 8.1060 118.6007 65.5565 31.3984 178.2920 61 K 3.8846 8.0865 117.4843 59.4136 32.0341 178.4798 62 L 4.2408 7.2507 115.3664 54.0503 41.6461 177.2960 63 G 3.9510 7.5577 106.6560 46.4288 0.0000 175.3067 64 L 4.1271 7.7766 122.6068 56.3182 41.8849 177.4405 65 V 4.6542 7.2585 116.6233 59.9417 34.8682 174.2810 66 D 4.4812 8.4059 125.2865 53.9930 42.7800 177.6234 67 R 3.8784 8.5416 122.1547 59.7615 29.9852 178.5894 68 E 4.0180 8.0776 118.5088 58.9369 29.6717 178.2277 69 D 4.4266 8.1073 118.8182 57.2849 40.7643 178.6764 70 G 3.6402 7.8054 104.8524 47.9049 0.0000 175.5226 71 K 4.1511 7.8582 119.8795 59.2252 32.3069 179.2415 72 Q 4.1975 8.4157 118.6599 58.7916 28.4024 178.7043 73 I 3.4711 7.7334 117.0760 62.6388 36.9551 177.3031 *75 L 4.1390 7.7808 123.7748 55.0963 43.9586 178.6458 76 R 3.8838 7.9602 118.1615 59.5729 29.7986 178.4740 77 L 4.1097 7.5705 118.1664 57.7082 41.8458 179.1844 78 E 4.0429 8.1317 118.0984 59.0646 29.1761 179.1173 79 K 3.9168 8.1198 119.3514 59.6114 32.7173 178.2416 80 E 4.0658 7.7256 118.7945 59.0537 29.4259 178.4539 81 L 4.0777 8.4310 120.9053 57.9226 41.7601 179.1541 82 S 4.1610 7.9461 115.0295 61.4249 62.5921 176.5233 83 K 4.0762 7.4771 118.1736 58.4952 31.7691 178.5697 84 L 4.3735 7.3319 120.6070 56.1532 42.1075 176.0524 85 H 4.6275 7.1209 113.3002 54.3723 30.4534 173.7110 86 E 3.6903 8.7830 126.2635 55.8210 28.1199 174.6541 87 A 4.1811 8.5425 121.9577 53.4358 18.4920 177.7164 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 5 A 8.12 4.34 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 6 T 7.52 4.16 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 1.21 0.00 0.00 *8 K 8.34 4.95 0.00 1.99 1.88 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.38 7.81 9 N 7.73 4.29 0.00 2.81 2.80 0.00 0.00 7.13 7.75 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 10 A 7.78 4.00 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 11 A 7.88 3.91 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 12 L 7.94 3.91 0.00 1.97 1.69 0.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.14 3.96 0.00 2.18 1.84 0.00 1.84 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.49 7.81 14 Q 8.11 3.97 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 15 L 8.07 3.97 0.00 2.07 1.66 1.02 0.55 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 16 T 7.87 3.88 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 1.24 0.00 0.00 17 K 8.09 3.87 0.00 1.98 2.06 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 D 8.42 4.36 0.00 2.88 2.71 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 19 A 8.31 4.05 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 20 D 8.43 4.38 0.00 2.94 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 21 E 8.05 3.97 0.00 2.16 2.02 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 2.32 2.35 0.00 22 I 7.51 3.77 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 0.95 0.00 0.00 23 L 8.37 3.94 0.00 1.84 1.89 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.45 4.01 0.00 3.41 3.53 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.68 3.97 0.00 1.83 1.97 1.11 1.14 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 26 I 7.83 3.74 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.89 0.00 0.00 27 K 8.62 3.92 0.00 1.76 1.82 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.58 7.81 28 V 7.72 3.55 2.02 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 0.76 0.00 0.00 0.73 0.00 0.00 29 Q 7.41 3.98 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 30 L 7.73 4.15 0.00 1.85 1.67 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.21 4.81 0.00 2.58 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 32 N 7.25 4.69 0.00 2.68 2.67 0.00 0.00 6.99 7.52 0.00 0.00 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 L 8.39 3.28 0.00 1.67 1.47 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 *38 C 8.27 4.34 0.00 3.03 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 39 P 0.00 4.43 0.00 2.18 2.14 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 40 L 7.38 4.67 0.00 1.68 1.64 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.66 4.06 0.00 3.10 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 42 E 8.24 4.05 0.00 2.15 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 2.41 2.44 0.00 43 E 7.88 3.90 0.00 2.09 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 2.26 2.28 0.00 44 V 7.57 3.47 1.89 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 0.85 0.00 0.00 0.57 0.00 0.00 45 L 7.54 4.08 0.00 1.71 1.79 1.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.07 4.58 0.00 2.84 2.76 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 47 T 7.77 4.13 4.38 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 1.21 0.00 0.00 48 Q 7.86 4.26 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.39 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 *50 F 8.08 4.52 0.00 3.26 3.28 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 51 G 8.44 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 0.00 0.00 0.00 52 L 7.91 3.97 0.00 1.81 1.67 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.07 3.92 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 54 K 7.85 3.93 0.00 1.82 1.71 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.82 1.19 7.81 55 E 8.03 4.00 0.00 2.26 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 2.30 2.45 0.00 56 V 8.20 3.58 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 1.05 0.00 0.00 0.99 0.00 0.00 57 D 8.57 4.36 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.16 0.00 3.16 3.29 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 59 A 8.26 3.84 1.39 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 0.00 0.00 60 V 8.11 3.77 2.17 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 1.25 0.00 0.00 0.97 0.00 0.00 61 K 8.09 3.88 0.00 1.77 1.76 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.51 7.81 62 L 7.25 4.24 0.00 1.35 1.51 0.22 0.64 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 63 G 7.56 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 64 L 7.78 4.13 0.00 1.82 1.68 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.26 4.65 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 1.03 0.00 0.00 0.93 0.00 0.00 66 D 8.41 4.48 0.00 2.98 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 67 R 8.54 3.88 0.00 1.86 1.92 0.00 3.17 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 68 E 8.08 4.02 0.00 2.11 1.91 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 2.37 2.45 0.00 69 D 8.11 4.43 0.00 2.92 2.70 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 70 G 7.81 3.64 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 0.00 0.00 0.00 71 K 7.86 4.15 0.00 1.93 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 72 Q 8.42 4.20 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 73 I 7.73 3.47 2.03 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 0.93 0.92 0.00 0.00 *75 L 7.78 4.14 0.00 1.96 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.96 3.88 0.00 2.11 1.93 0.00 3.31 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 77 L 7.57 4.11 0.00 1.84 1.71 0.94 0.96 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 78 E 8.13 4.04 0.00 2.15 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 2.42 2.39 0.00 79 K 8.12 3.92 0.00 1.72 2.10 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 80 E 7.73 4.07 0.00 2.42 1.92 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 2.30 2.34 0.00 81 L 8.43 4.08 0.00 1.96 1.66 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.95 4.16 0.00 4.11 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 83 K 7.48 4.08 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 84 L 7.33 4.37 0.00 1.49 1.61 0.86 1.34 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 85 H 7.12 4.63 0.00 3.22 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.78 3.69 0.00 2.24 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 0.00 2.23 2.35 0.00 87 A 8.54 4.18 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 * Residues marked with a * may have inaccurate shift predictions.