NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9613 8.3549 109.7430 45.0663 0.0000 174.7986 5 Q 4.1730 7.8782 118.9879 53.5596 29.6908 173.5074 6 S 4.7840 8.3876 112.0169 56.0121 67.5630 173.5151 7 L 4.3639 8.2495 118.2212 56.7513 41.8091 178.7261 8 Q 3.8947 7.9786 119.1663 59.3400 28.9349 177.8715 9 D 4.3725 8.3987 119.0030 57.0718 41.3618 176.2811 10 P 4.3649 0.0000 0.0000 65.4964 31.4865 178.4298 11 F 3.9794 8.3043 119.3048 61.4632 39.3210 177.3458 12 L 3.9334 8.2358 118.8549 57.6211 41.2044 179.2632 13 N 4.5405 8.8298 116.8544 56.0762 38.4269 177.2831 14 A 3.9162 8.1154 122.2325 55.1505 18.5161 179.5594 15 L 3.7847 7.4616 117.0977 57.9047 41.6767 179.7179 16 R 4.0746 8.1759 120.0137 58.9013 29.8849 178.1563 17 R 3.9007 8.1094 117.6541 59.7314 30.2092 177.7338 18 E 4.1630 8.4350 114.7942 55.9286 30.0141 176.5932 19 R 3.7504 7.8729 117.2702 56.8922 28.4509 176.6491 20 V 3.7962 7.5677 117.1727 62.1047 32.3413 174.1768 21 P 4.6165 0.0000 0.0000 62.9827 32.6159 175.7219 22 V 4.9408 9.2090 116.1463 59.8573 36.8636 174.2716 23 S 5.1727 8.8794 117.4746 56.8472 65.9504 173.4606 24 I 4.9084 8.7011 125.3528 59.7956 39.7951 174.0809 25 Y 4.9097 8.9718 125.7743 56.8496 39.7399 175.6329 26 L 4.9115 8.6957 124.0367 53.7710 43.3631 178.2683 27 V 3.8321 8.7563 114.8924 64.2467 31.3034 177.7763 28 N 4.4506 8.3012 117.3089 54.7601 37.7200 175.1786 29 G 3.8459 7.7648 105.5972 45.3330 0.0000 174.4371 30 I 3.7099 11.0719 122.3117 61.3603 37.5722 174.7852 31 K 4.3433 8.3949 125.5356 54.7378 33.2762 175.3686 32 L 4.5864 8.7068 128.4608 54.1757 43.6484 176.0100 33 Q 5.4905 8.1280 118.3436 53.8926 33.1595 175.9901 34 G 3.7247 7.5667 107.0865 45.5423 0.0000 171.4764 35 Q 4.8928 7.9041 120.0350 53.9328 32.8038 175.5322 36 I 4.3628 8.2178 123.1463 61.2927 37.4908 176.3055 37 E 4.0090 9.1753 129.8141 58.9707 30.1779 176.0660 38 S 4.7174 7.5519 111.6592 58.1508 66.0776 172.9111 39 F 5.1456 7.7226 113.5546 56.2600 38.4289 173.3227 40 D 4.8532 8.4616 121.7678 52.2571 41.5409 175.6951 41 Q 4.0884 8.8204 117.9702 58.7859 29.3206 177.9006 42 F 5.0586 8.0899 114.2155 57.2119 41.4311 174.7387 43 V 5.0542 9.1153 113.3016 59.6294 36.6673 174.3226 44 I 5.0700 8.7232 121.8001 59.7210 40.9102 174.8041 45 L 4.9070 9.0666 127.5072 53.4809 43.2755 175.1689 46 L 5.0351 8.8599 126.8077 53.0988 44.6002 174.7971 47 K 5.0938 8.8444 127.6369 53.9680 34.9581 173.2059 48 N 4.5877 8.3842 128.9751 53.5120 45.3840 175.5076 49 T 3.9910 8.5273 110.4809 66.0054 68.2335 173.9635 50 V 4.4902 7.4073 111.9751 59.1907 35.2455 174.2962 51 S 4.9159 8.4752 117.4361 57.9740 63.3681 174.0796 52 Q 4.7125 9.1503 123.3207 54.5108 31.8928 174.1833 53 M 4.7230 8.4996 120.4276 54.1549 33.6558 174.8996 54 V 4.3517 8.5736 127.3451 61.2594 34.0467 174.3986 55 Y 4.5555 8.5114 125.7669 57.1624 38.7394 176.6340 56 K 3.9691 9.0357 125.3487 59.6936 32.3943 178.9279 57 H 4.3097 8.3630 112.7404 57.6419 28.7577 175.7212 58 A 4.5091 8.0811 122.3368 52.2168 19.4168 176.5305 59 I 4.6492 7.5691 117.7419 60.5056 38.3863 175.5276 60 S 4.7703 9.3703 120.1086 60.0889 64.2510 174.4356 61 T 4.7679 7.7544 109.2022 59.5622 72.4428 172.4805 62 V 4.7464 8.3947 122.2824 61.2544 34.1045 174.7144 63 V 4.5940 9.0058 129.0871 60.2370 33.5562 173.0931 64 P 4.8488 0.0000 0.0000 62.8476 31.5191 176.9109 65 S 4.5209 8.6886 116.7330 60.6340 63.5488 174.0690 66 R 4.6663 7.6608 114.9021 53.7491 32.0417 172.7579 67 P 4.2644 0.0000 0.0000 62.9770 31.7615 176.3351 68 V 4.2720 8.0574 121.2164 60.9071 33.7106 175.3590 69 S 4.3913 8.6157 121.7400 58.6861 64.0589 172.6975 70 H 3.7085 8.4753 121.9035 57.1141 24.9890 175.5204 *71 H 4.5315 8.2440 117.9852 54.4827 28.5027 173.2771 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 4 G 8.35 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 5 Q 7.88 4.17 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 6 S 8.39 4.78 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.36 0.00 1.71 1.69 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.98 3.89 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 9 D 8.40 4.37 0.00 2.94 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 10 P 0.00 4.36 0.00 2.26 2.14 0.00 3.84 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 2.26 2.28 0.00 11 F 8.30 3.98 0.00 3.16 3.13 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 0.00 12 L 8.24 3.93 0.00 0.58 0.92 0.33 0.90 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 13 N 8.83 4.54 0.00 3.07 2.95 0.00 0.00 6.82 7.82 0.00 0.00 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 A 8.12 3.92 1.26 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 0.00 0.00 0.00 15 L 7.46 3.78 0.00 1.79 1.64 0.49 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.18 4.07 0.00 2.11 2.17 0.00 3.29 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 17 R 8.11 3.90 0.00 1.80 2.25 0.00 3.29 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 18 E 8.44 4.16 0.00 1.94 1.94 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 2.47 2.44 0.00 19 R 7.87 3.75 0.00 1.91 1.97 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 20 V 7.57 3.80 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.62 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.21 4.94 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 0.90 0.00 0.00 0.99 0.00 0.00 23 S 8.88 5.17 0.00 3.75 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 24 I 8.70 4.91 1.83 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 1.25 0.66 0.93 0.00 0.00 25 Y 8.97 4.91 0.00 2.91 2.89 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 0.00 0.00 0.00 0.00 26 L 8.70 4.91 0.00 1.86 1.62 0.94 0.73 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 27 V 8.76 3.83 2.11 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 0.72 0.00 0.00 0.97 0.00 0.00 28 N 8.30 4.45 0.00 2.84 2.97 0.00 0.00 6.16 7.00 0.00 0.00 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 7.76 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 30 I 11.07 3.71 1.93 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 1.20 0.95 0.90 0.00 0.00 31 K 8.39 4.34 0.00 1.46 1.59 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.01 0.51 7.81 32 L 8.71 4.59 0.00 1.61 1.50 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.13 5.49 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 34 G 7.57 3.72 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 0.00 0.00 0.00 35 Q 7.90 4.89 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.22 4.36 1.90 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 1.24 0.70 1.03 0.00 0.00 37 E 9.18 4.01 0.00 1.98 2.13 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 2.32 2.26 0.00 38 S 7.55 4.72 0.00 3.87 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 39 F 7.72 5.15 0.00 3.21 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 40 D 8.46 4.85 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.82 4.09 0.00 1.79 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 42 F 8.09 5.06 0.00 3.31 3.14 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 43 V 9.12 5.05 1.94 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 0.32 0.00 0.00 1.01 0.00 0.00 44 I 8.72 5.07 1.88 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 1.28 0.85 0.95 0.00 0.00 45 L 9.07 4.91 0.00 1.67 1.59 0.96 0.17 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 46 L 8.86 5.04 0.00 1.73 1.49 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.84 5.09 0.00 1.87 1.61 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 48 N 8.38 4.59 0.00 2.62 1.78 0.00 0.00 7.19 7.54 0.00 0.00 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 T 8.53 3.99 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 50 V 7.41 4.49 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 0.82 0.00 0.00 0.93 0.00 0.00 51 S 8.48 4.92 0.00 3.74 3.80 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 0.00 0.00 0.00 52 Q 9.15 4.71 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 53 M 8.50 4.72 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.07 0.00 54 V 8.57 4.35 2.07 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 1.01 0.00 0.00 0.92 0.00 0.00 55 Y 8.51 4.56 0.00 2.92 2.51 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 56 K 9.04 3.97 0.00 1.95 1.94 0.00 1.86 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.49 1.45 7.81 57 H 8.36 4.31 0.00 3.28 3.55 0.00 5.51 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 58 A 8.08 4.51 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 59 I 7.57 4.65 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 1.38 0.85 0.98 0.00 0.00 60 S 9.37 4.77 0.00 3.83 4.01 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 0.00 0.00 0.00 61 T 7.75 4.77 4.28 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 1.18 0.00 0.00 62 V 8.39 4.75 2.19 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 0.97 0.00 0.00 0.97 0.00 0.00 63 V 9.01 4.59 2.25 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 1.04 0.00 0.00 1.13 0.00 0.00 64 P 0.00 4.85 0.00 2.35 1.96 0.00 4.00 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 65 S 8.69 4.52 0.00 3.92 4.09 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 0.00 0.00 0.00 66 R 7.66 4.67 0.00 1.88 1.89 0.00 3.04 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 67 P 0.00 4.26 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 68 V 8.06 4.27 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 0.75 0.00 0.00 0.86 0.00 0.00 69 S 8.62 4.39 0.00 4.12 3.88 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 70 H 8.48 3.71 0.00 3.27 3.40 0.00 5.93 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 H 8.24 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.