NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1190 8.0549 120.3094 61.6538 32.7449 174.5033 2 T 4.3710 8.3619 119.2232 59.9294 71.3134 171.8271 3 S 4.8229 8.8557 120.3927 56.8499 67.3379 172.4236 4 Y 4.7871 8.3294 117.2089 56.7261 41.5581 175.0572 5 T 4.8144 8.4028 119.2086 61.8462 72.3883 173.1612 6 L 4.7408 8.2014 124.7920 53.6487 45.2616 174.7411 7 N 5.1372 8.4016 121.1288 51.4189 40.4626 173.0155 8 E 4.6038 8.2441 118.4467 55.0245 32.6114 174.4902 9 V 3.8742 8.2170 123.8742 61.9486 32.0053 175.5770 10 V 4.3005 8.1593 126.8684 60.4169 33.4085 174.2091 11 P 4.5939 0.0000 0.0000 61.0812 29.6990 176.0753 12 L 3.8536 8.1684 127.9916 59.3166 42.0245 177.7414 13 K 3.7937 8.0890 117.3423 59.4809 32.0952 177.2905 14 D 4.6385 8.1555 116.3146 54.5431 41.1705 176.8737 15 V 4.1156 7.7309 118.4046 64.0233 32.8969 176.0749 16 V 4.3717 7.2948 110.3456 58.7317 33.5517 173.7355 17 P 4.5925 0.0000 0.0000 62.0812 32.0044 176.7177 18 E 3.9894 8.8291 118.9141 58.4884 29.4866 177.9102 19 W 4.6430 7.9954 117.0525 54.8550 31.3155 175.1845 20 V 4.6678 8.2109 114.3603 60.0386 35.4534 174.3676 21 R 4.7023 8.4048 119.2562 54.3867 32.7793 175.5776 22 I 4.4551 7.6417 114.3238 59.2715 40.0930 175.4013 23 G 3.8099 7.3031 107.7961 45.8291 0.0000 172.3306 24 F 4.9808 8.4566 116.5791 55.6617 42.3054 174.5487 25 S 4.6943 8.3994 116.0428 56.8177 65.5184 173.0208 26 A 4.5593 8.1091 126.7008 51.2637 21.7137 175.4587 27 T 4.7405 7.9808 110.3155 60.3016 72.1247 172.2902 28 T 4.9726 8.1489 110.8938 60.5729 73.1493 174.4572 29 G 4.0842 8.5245 115.3780 45.1365 0.0000 176.0697 30 A 4.1152 9.0754 128.3626 53.7795 18.4317 177.4367 31 E 4.5992 7.7025 114.6898 54.9226 32.2454 173.9939 32 F 4.8698 6.8496 113.2504 56.7521 40.0299 172.4108 33 A 4.3053 8.1631 121.5686 51.8847 21.0972 175.3665 34 A 4.4793 8.4962 122.7345 51.3360 19.9651 176.8423 35 H 4.8943 8.6991 119.1170 53.9405 31.3312 173.2390 36 E 4.7157 8.5642 122.8231 54.3080 33.1655 175.0802 37 V 4.1895 8.1365 120.4870 61.4940 33.6724 175.0816 38 H 4.8198 8.4185 122.5747 56.1247 30.1862 174.4532 39 S 4.7143 7.6766 110.8560 57.8076 64.8818 174.7313 40 W 5.3231 8.5639 129.9733 56.6597 33.3924 173.7970 41 S 4.7938 8.9290 119.3315 56.6316 65.6182 172.8472 42 F 4.8490 8.2655 122.2483 57.2856 42.3030 173.1453 43 H 4.6298 6.8402 124.2925 54.6484 32.6863 172.7630 44 S 4.5154 7.9898 119.6713 56.5820 65.9845 173.1643 45 Q 4.3924 8.3981 120.1205 53.9644 31.6536 174.4065 46 L 4.4812 8.6765 124.5081 54.3043 44.2682 176.7014 47 G 3.6103 8.5436 116.9132 45.4545 0.0000 173.3246 *48 H 4.5119 8.5558 116.2077 54.8482 28.6895 169.3647 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 1 V 8.05 4.12 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 0.91 0.00 0.00 0.92 0.00 0.00 2 T 8.36 4.37 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 1.06 0.00 0.00 3 S 8.86 4.82 0.00 3.91 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 4 Y 8.33 4.79 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.40 4.81 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 1.24 0.00 0.00 6 L 8.20 4.74 0.00 1.56 1.50 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.40 5.14 0.00 2.81 2.72 0.00 0.00 5.84 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.24 4.60 0.00 1.89 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 2.20 2.36 0.00 9 V 8.22 3.87 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 0.83 0.00 0.00 0.93 0.00 0.00 10 V 8.16 4.30 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 0.93 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.59 0.00 2.42 2.20 0.00 3.79 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 2.07 1.95 0.00 12 L 8.17 3.85 0.00 1.77 1.73 0.93 0.70 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 13 K 8.09 3.79 0.00 1.77 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.54 7.81 14 D 8.16 4.64 0.00 2.79 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 15 V 7.73 4.12 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 0.80 0.00 0.00 0.97 0.00 0.00 16 V 7.29 4.37 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 0.80 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.59 0.00 2.33 2.05 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 18 E 8.83 3.99 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 19 W 8.00 4.64 0.00 3.24 3.11 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 0.00 0.00 0.00 0.00 20 V 8.21 4.67 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 0.78 0.00 0.00 0.94 0.00 0.00 21 R 8.40 4.70 0.00 1.77 1.80 0.00 3.18 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 22 I 7.64 4.46 1.82 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.76 0.00 0.00 23 G 7.30 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.46 4.98 0.00 2.81 2.62 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 25 S 8.40 4.69 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.56 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.74 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 1.20 0.00 0.00 28 T 8.15 4.97 4.58 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 1.37 0.00 0.00 29 G 8.52 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 30 A 9.08 4.12 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 31 E 7.70 4.60 0.00 1.97 1.72 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 2.14 2.20 0.00 32 F 6.85 4.87 0.00 3.07 3.02 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 33 A 8.16 4.31 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.50 4.48 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 35 H 8.70 4.89 0.00 3.04 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.56 4.72 0.00 1.90 1.85 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 2.20 2.25 0.00 37 V 8.14 4.19 1.77 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 0.47 0.00 0.00 -0.04 0.00 0.00 38 H 8.42 4.82 0.00 3.13 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.68 4.71 0.00 4.02 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 40 W 8.56 5.32 0.00 3.30 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.79 0.00 3.99 3.84 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 42 F 8.27 4.85 0.00 2.66 2.65 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 43 H 6.84 4.63 0.00 2.74 2.88 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.99 4.52 0.00 3.90 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 45 Q 8.40 4.39 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 46 L 8.68 4.48 0.00 1.44 1.44 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.54 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.56 4.51 0.00 2.69 2.89 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.