NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4649 0.0000 0.0000 61.7320 34.5439 176.1342 2 V 3.9205 7.8337 124.2178 61.7373 34.7456 170.5735 3 F 5.3629 8.9345 121.8243 55.9515 42.1220 175.9344 4 A 5.1501 9.8159 124.5491 50.1086 23.0855 174.5370 5 K 4.7770 9.5216 120.8893 54.1490 34.8834 175.2567 6 A 4.5004 8.4624 129.8677 51.9302 19.2317 177.3582 7 I 4.3542 8.2121 115.8467 59.8114 39.0583 175.3222 8 Q 4.2921 8.1435 117.8644 55.5934 30.9723 173.0730 9 K 4.0778 8.7107 128.7330 57.0258 33.6338 176.6872 10 R 4.5670 8.5888 123.1135 55.3918 32.2821 172.1174 11 V 3.8711 8.1467 122.5351 61.5488 32.1586 173.5103 12 P 4.0790 0.0000 0.0000 62.8901 31.7161 175.4430 13 C 3.8569 8.8970 122.4790 59.3557 31.4151 172.4249 14 A 4.0666 8.5502 130.1945 54.9253 17.9515 176.3015 15 Y 3.7518 8.9898 124.2742 58.5763 36.2654 168.6269 16 D 4.5022 7.0946 114.3826 51.7580 44.2871 175.7088 17 K 3.8273 7.6704 118.3837 56.1265 28.8441 173.5259 18 T 4.3806 7.0089 110.4170 61.8609 74.3040 174.4875 19 A 4.5599 8.1156 124.9602 51.2935 19.0745 176.9446 20 L 4.2539 9.6345 127.0047 54.7985 42.9806 176.2241 21 A 4.5719 8.5728 128.1723 51.5337 19.7229 176.4312 22 L 4.8712 8.5532 121.6617 52.8923 45.4436 175.5214 23 E 4.9456 10.0811 123.9651 53.9689 32.5473 176.0893 24 V 3.7508 8.3389 122.5023 64.6131 31.9973 176.4643 25 G 3.8563 8.6174 113.4008 45.6496 0.0000 173.5449 26 D 4.5575 7.6870 119.4428 54.1194 42.3883 175.4471 27 I 4.4823 8.1755 122.0220 60.0543 38.6099 175.2134 28 V 4.0686 8.5620 128.3164 60.9112 32.8980 175.7460 29 K 4.6401 8.4895 132.3648 54.1954 30.2793 174.2961 30 V 4.1354 8.0880 120.9725 62.7740 32.0578 177.7444 31 T 4.3194 9.8561 120.6948 62.2884 68.3585 174.5635 32 R 4.1120 7.4017 117.7991 56.2088 33.4099 173.8678 33 M 2.7593 7.9023 125.3178 52.2731 29.7747 173.9782 34 N 4.2137 7.6048 122.6333 54.3503 39.4516 175.8577 35 I 3.7484 8.3005 122.3514 62.2222 38.9653 175.2968 36 N 5.0959 7.5517 116.2785 51.1893 39.1234 172.2295 37 G 4.1798 7.4543 111.6791 44.6619 0.0000 174.6956 38 Q 4.5524 8.6577 124.1305 54.7753 30.1838 174.1295 39 W 4.7912 8.7681 121.7430 55.5258 31.5649 174.7815 40 E 5.1087 9.3610 123.8215 54.9119 30.7007 175.1056 41 G 4.5550 9.1853 113.3486 45.6565 0.0000 172.7054 42 E 5.5561 8.5216 118.4913 52.4270 29.9202 174.1837 43 V 3.4694 8.4469 125.3490 63.9134 32.0689 177.0498 44 N 3.8624 9.3920 116.5617 53.6250 34.7878 173.4485 45 G 4.1286 8.1720 115.1372 45.2260 0.0000 172.2617 46 R 4.2526 8.2799 113.9704 55.0338 31.8559 178.0178 47 K 4.4642 8.1803 122.8339 56.7592 32.9975 175.4686 48 G 4.0827 8.6580 108.1430 45.0103 0.0000 172.3927 49 L 5.3868 9.8870 119.7573 53.9063 43.9287 175.9811 50 F 4.8678 8.4707 114.3344 55.2608 41.2617 171.6221 51 P 4.6124 0.0000 0.0000 62.4716 31.7956 177.7470 52 F 3.4921 8.5669 118.8657 58.9205 38.1674 177.5905 53 T 3.0996 6.7647 110.6446 64.0268 68.7947 174.4735 54 H 4.6559 7.8104 118.2173 55.5623 28.6856 174.3009 55 V 5.0823 7.2564 112.4838 59.8210 35.9430 174.8172 56 K 4.7622 8.7016 119.6602 54.8170 36.3227 176.4240 57 I 4.4268 8.6238 124.0818 61.0872 39.0719 174.7817 58 F 4.9832 8.8691 120.6190 55.9740 40.4721 172.5834 59 D 4.5290 9.1863 118.8893 54.4903 43.1849 175.3183 60 P 4.6550 0.0000 0.0000 61.6755 33.9160 175.9327 *61 Q 4.1254 8.3780 115.4689 55.3498 28.7256 172.1473 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 P 0.00 4.46 0.00 1.69 1.78 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 2 V 7.83 3.92 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 0.70 0.00 0.00 1.01 0.00 0.00 3 F 8.93 5.36 0.00 3.26 3.38 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 4 A 9.82 5.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.52 4.78 0.00 1.10 1.47 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.31 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.16 1.07 7.81 6 A 8.46 4.50 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 7 I 8.21 4.35 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.94 0.00 0.00 8 Q 8.14 4.29 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 1.87 2.08 0.00 9 K 8.71 4.08 0.00 1.78 1.73 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.54 7.81 10 R 8.59 4.57 0.00 2.00 1.78 0.00 3.19 0.00 0.00 3.04 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 11 V 8.15 3.87 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 0.84 0.00 0.00 0.93 0.00 0.00 12 P 0.00 4.08 0.00 2.09 2.02 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 13 C 8.90 3.86 0.00 2.97 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 14 A 8.55 4.07 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 15 Y 8.99 3.75 0.00 3.04 3.39 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 16 D 7.09 4.50 0.00 2.83 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.67 3.83 0.00 1.80 1.76 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 18 T 7.01 4.38 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 1.26 0.00 0.00 19 A 8.12 4.56 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 20 L 9.63 4.25 0.00 1.86 1.63 1.06 1.24 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 A 8.57 4.57 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 22 L 8.55 4.87 0.00 1.54 1.48 0.82 0.79 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 23 E 10.08 4.95 0.00 1.97 1.79 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 2.20 2.34 0.00 24 V 8.34 3.75 2.04 0.00 0.00 0.00 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 0.89 0.00 0.00 25 G 8.62 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 26 D 7.69 4.56 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.48 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 1.13 0.00 0.00 28 V 8.56 4.07 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 0.50 0.00 0.00 0.61 0.00 0.00 29 K 8.49 4.64 0.00 1.99 1.72 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 0.94 7.81 30 V 8.09 4.14 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 1.03 0.00 0.00 0.90 0.00 0.00 31 T 9.86 4.32 4.32 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 1.25 0.00 0.00 32 R 7.40 4.11 0.00 1.79 1.62 0.00 3.24 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 33 M 7.90 2.76 0.00 0.51 0.63 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 34 N 7.60 4.21 0.00 2.92 2.78 0.00 0.00 6.64 7.32 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 35 I 8.30 3.75 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.87 0.00 0.00 36 N 7.55 5.10 0.00 2.64 2.73 0.00 0.00 7.05 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.45 4.18 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 0.00 0.00 0.00 38 Q 8.66 4.55 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 39 W 8.77 4.79 0.00 1.89 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 40 E 9.36 5.11 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 41 G 9.19 4.56 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 0.00 0.00 0.00 42 E 8.52 5.56 0.00 1.96 1.98 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 2.24 2.10 0.00 43 V 8.45 3.47 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 0.74 0.00 0.00 0.92 0.00 0.00 44 N 9.39 3.86 0.00 2.82 3.11 0.00 0.00 7.35 7.65 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 45 G 8.17 4.13 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 0.00 0.00 0.00 46 R 8.28 4.25 0.00 2.02 2.08 0.00 2.97 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 47 K 8.18 4.46 0.00 1.80 1.77 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 48 G 8.66 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 49 L 9.89 5.39 0.00 1.72 1.77 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.47 4.87 0.00 3.11 3.10 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 0.00 0.00 0.00 51 P 0.00 4.61 0.00 1.86 1.84 0.00 3.67 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 1.78 1.98 0.00 52 F 8.57 3.49 0.00 1.51 1.66 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 53 T 6.76 3.10 3.89 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 0.29 0.00 0.00 54 H 7.81 4.66 0.00 3.22 3.42 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.26 5.08 2.14 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 0.75 0.00 0.00 1.06 0.00 0.00 56 K 8.70 4.76 0.00 1.69 1.68 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.36 7.81 57 I 8.62 4.43 2.08 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 1.05 0.00 0.00 58 F 8.87 4.98 0.00 3.09 2.86 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 59 D 9.19 4.53 0.00 2.66 2.64 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 60 P 0.00 4.65 0.00 2.22 2.18 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 *61 Q 8.38 4.13 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.