NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8959 8.2085 109.7359 45.7364 0.0000 175.8029 2 A 3.8696 7.6664 121.8015 52.9871 18.6348 174.5845 3 V 3.4803 8.0961 118.5657 66.1979 32.1859 176.3038 4 A 3.9698 7.9366 120.0511 55.2666 18.2625 178.7858 5 H 3.9849 8.2845 116.4740 59.4225 30.0335 177.2078 6 A 3.8749 8.2471 122.7806 55.4030 18.2386 179.3065 7 N 4.2923 8.3029 114.8850 56.6685 38.4823 177.8766 8 S 4.1517 8.1229 116.5713 61.4834 62.7771 176.7705 9 I 3.5116 7.5635 122.6697 64.1283 36.7120 178.5624 10 V 3.5716 7.6561 118.9387 66.1150 31.2861 177.9968 11 Q 3.9756 7.9692 117.6791 59.0403 28.5429 178.7620 12 Q 3.9438 8.3330 120.6749 59.0840 29.0955 178.1731 13 L 4.0086 8.1781 120.2902 57.8705 41.7218 179.6316 14 V 3.5817 7.9205 118.0149 66.2351 31.2800 177.8378 15 S 4.1358 8.1367 111.6459 61.3350 62.2323 175.0815 16 E 4.4410 8.1609 118.3408 55.9736 29.2749 177.0666 17 G 3.8396 8.0215 106.7608 45.9612 0.0000 174.0983 18 A 4.1499 7.9395 121.7837 51.5746 19.1838 179.0694 19 D 4.6713 8.4177 120.5398 52.8557 41.1253 177.2325 20 I 4.0179 8.4433 123.2647 62.6986 37.4863 178.0268 21 S 4.1296 8.1832 116.4801 61.7038 62.6796 175.9198 22 H 4.1612 8.2971 120.6036 59.2260 29.4937 176.8766 23 T 4.2748 7.9931 119.0003 66.0980 68.2785 176.7721 24 R 4.0876 8.2437 120.0888 59.2730 30.0796 179.2355 25 N 4.3001 7.5981 112.2121 54.2043 37.6920 176.4597 *27 L 4.3571 7.8454 124.8747 55.1831 44.0373 178.8528 28 R 3.7720 8.1090 117.7456 59.4739 30.4185 177.3045 29 N 4.5037 8.3561 115.1083 56.4923 38.7339 178.5282 30 A 4.1492 7.3022 118.8767 52.7220 17.6706 178.5627 *32 N 4.5762 8.2257 115.7421 53.7269 40.3456 175.5526 33 G 3.8675 8.1880 106.1346 46.0377 0.0000 173.6879 34 D 4.5752 8.0509 118.8226 52.7239 41.7362 176.4503 35 A 4.1126 8.2588 123.9530 52.5607 18.9361 177.3871 36 V 4.3309 7.9063 112.7010 59.8371 35.8005 176.4299 37 A 4.6360 7.4698 122.2927 50.8266 19.2967 176.1371 38 F 4.2710 7.7272 120.2679 56.4497 40.2845 176.5615 39 S 4.4591 9.4739 119.9955 57.9984 64.9501 175.8254 40 R 3.9547 8.4622 120.5426 59.3838 29.7582 179.4676 41 V 3.6301 7.7651 117.3711 66.0753 31.7903 177.7175 42 E 4.1602 8.2683 118.2931 59.5103 29.3826 179.0780 43 Q 3.9555 8.5806 119.9320 59.2522 28.9144 177.8160 44 N 4.3362 8.0732 116.6129 56.7781 39.2384 176.6579 45 I 3.9084 7.9464 120.9948 64.6419 37.2994 178.4628 46 F 4.1136 9.0835 118.8599 60.6895 38.4254 177.9990 47 R 4.1662 8.0748 116.9050 59.1854 29.8585 178.7455 48 Q 4.0589 7.9218 117.2985 58.2404 28.7442 177.1728 49 H 4.6353 7.8574 114.6535 54.9942 30.9896 174.9211 50 F 4.7990 8.2899 120.0922 54.0560 39.0122 173.4436 51 P 4.0107 0.0000 0.0000 64.9330 31.5941 177.8358 52 N 4.7132 7.3182 117.2656 51.1342 37.0925 172.9211 *54 P 4.2623 0.0000 0.0000 62.5530 33.5513 177.2935 *56 H 4.6534 8.0844 114.8650 54.2579 31.1106 175.2660 57 G 3.8577 8.2097 106.3299 45.1649 0.0000 172.4973 58 I 4.3337 8.0104 121.9866 59.1025 39.8972 175.2454 59 S 4.2959 8.5288 120.7563 57.8569 62.8710 175.0272 60 R 4.0871 8.5723 123.3015 58.4152 29.4854 176.8272 61 D 4.6530 7.9966 117.2592 54.3436 41.6064 177.1763 62 S 4.2093 7.8879 115.8953 58.2325 63.4886 174.1478 63 E 3.9297 8.8874 129.5639 59.2818 29.4909 178.6326 64 L 3.9027 7.9310 119.7070 58.0225 42.2719 178.5258 65 A 4.2040 8.2349 120.7867 55.3232 18.4504 179.5916 66 I 3.6796 8.0590 118.4250 64.7746 37.1429 178.6164 67 E 4.0296 8.2205 119.3432 59.1948 29.1553 179.1809 68 L 3.9535 8.4728 121.0070 58.0031 42.2019 178.9029 69 R 4.0283 8.5964 119.3324 59.4750 30.0405 178.8179 70 G 3.5711 8.0690 104.7673 47.7477 0.0000 175.5733 71 A 4.0610 8.3642 123.7749 54.8518 18.3500 179.7913 72 L 3.9729 8.3310 117.8888 57.7635 41.8143 179.6202 73 R 3.8893 7.9550 118.5621 59.6776 29.8528 178.8677 74 R 3.9983 8.1713 117.5744 59.0124 29.7830 178.9006 75 A 4.1801 7.9352 119.8499 55.2289 18.5027 179.4992 76 V 3.6573 7.6652 115.4260 66.3989 31.6270 177.7271 77 H 4.4352 7.8385 114.4983 58.8115 28.8407 176.0071 78 Q 4.3271 8.9094 123.9090 56.5257 28.8602 176.7940 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 G 8.21 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.67 3.87 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 3 V 8.10 3.48 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 1.04 0.00 0.00 0.99 0.00 0.00 4 A 7.94 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.28 3.98 0.00 3.30 3.39 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.25 3.87 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 7 N 8.30 4.29 0.00 2.89 2.87 0.00 0.00 7.08 6.96 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 8 S 8.12 4.15 0.00 4.03 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 9 I 7.56 3.51 1.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.59 0.57 0.00 0.00 10 V 7.66 3.57 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 1.12 0.00 0.00 0.93 0.00 0.00 11 Q 7.97 3.98 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 12 Q 8.33 3.94 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 13 L 8.18 4.01 0.00 1.92 1.78 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.92 3.58 2.22 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 1.01 0.00 0.00 1.00 0.00 0.00 15 S 8.14 4.14 0.00 3.94 4.07 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 0.00 0.00 0.00 0.00 16 E 8.16 4.44 0.00 2.09 1.99 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 2.34 2.47 0.00 17 G 8.02 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 0.00 0.00 0.00 18 A 7.94 4.15 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 19 D 8.42 4.67 0.00 2.81 2.61 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 20 I 8.44 4.02 1.92 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 1.35 1.10 0.97 0.00 0.00 21 S 8.18 4.13 0.00 4.10 4.17 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 0.00 0.00 0.00 0.00 22 H 8.30 4.16 0.00 3.31 3.60 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.99 4.27 4.51 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 1.56 0.00 0.00 24 R 8.24 4.09 0.00 2.04 1.99 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 25 N 7.60 4.30 0.00 2.69 2.71 0.00 0.00 6.65 6.63 0.00 0.00 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 L 7.85 4.36 0.00 2.02 1.99 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.11 3.77 0.00 1.88 2.10 0.00 3.30 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 29 N 8.36 4.50 0.00 2.69 2.71 0.00 0.00 6.94 7.07 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 30 A 7.30 4.15 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 *32 N 8.23 4.58 0.00 2.96 2.90 0.00 0.00 7.17 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 33 G 8.19 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.58 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.11 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.91 4.33 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 0.62 0.00 0.00 0.93 0.00 0.00 37 A 7.47 4.64 1.13 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 38 F 7.73 4.27 0.00 3.00 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 39 S 9.47 4.46 0.00 4.01 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 40 R 8.46 3.95 0.00 1.90 2.05 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 41 V 7.77 3.63 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 1.13 0.00 0.00 0.96 0.00 0.00 42 E 8.27 4.16 0.00 2.43 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 2.53 2.46 0.00 43 Q 8.58 3.96 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 44 N 8.07 4.34 0.00 2.88 3.04 0.00 0.00 7.33 7.43 0.00 0.00 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 I 7.95 3.91 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.90 0.00 0.00 46 F 9.08 4.11 0.00 2.79 3.05 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 0.00 0.00 0.00 0.00 47 R 8.07 4.17 0.00 2.04 2.03 0.00 3.20 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 48 Q 7.92 4.06 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 49 H 7.86 4.64 0.00 2.65 2.66 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.29 4.80 0.00 3.17 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 51 P 0.00 4.01 0.00 2.18 2.20 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 52 N 7.32 4.71 0.00 2.69 2.85 0.00 0.00 6.97 7.90 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 *54 P 0.00 4.26 0.00 2.10 2.16 0.00 3.70 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 1.96 2.15 0.00 *56 H 8.08 4.65 0.00 3.28 3.45 0.00 5.95 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 57 G 8.21 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 58 I 8.01 4.33 1.73 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.53 0.51 0.00 0.00 59 S 8.53 4.30 0.00 3.88 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 60 R 8.57 4.09 0.00 1.96 2.05 0.00 3.08 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 61 D 8.00 4.65 0.00 2.70 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 62 S 7.89 4.21 0.00 4.00 3.98 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 0.00 0.00 0.00 63 E 8.89 3.93 0.00 2.09 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 2.39 2.38 0.00 64 L 7.93 3.90 0.00 1.73 1.70 0.63 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.23 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.68 2.05 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 1.55 1.16 0.93 0.00 0.00 67 E 8.22 4.03 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 68 L 8.47 3.95 0.00 1.86 1.95 0.89 0.82 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 69 R 8.60 4.03 0.00 2.00 2.16 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 70 G 8.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 3.97 0.00 1.93 1.77 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.95 3.89 0.00 2.03 2.12 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 74 R 8.17 4.00 0.00 1.93 1.99 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 75 A 7.94 4.18 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 76 V 7.67 3.66 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 0.77 0.00 0.00 0.96 0.00 0.00 77 H 7.84 4.44 0.00 3.24 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.91 4.33 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 * Residues marked with a * may have inaccurate shift predictions.