NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4763 8.3344 116.8045 58.3333 64.8102 173.0437 8 D 4.8491 7.9751 120.1427 51.5997 43.0957 173.8935 9 F 5.5351 8.8262 117.5792 55.3081 42.0463 173.5284 10 V 4.6791 9.2394 112.4365 59.6225 35.4267 174.8352 11 V 4.7624 8.6100 124.2279 61.4710 33.5956 174.4714 12 I 4.9673 8.9489 128.8284 59.4027 40.5553 174.1557 13 K 5.0689 9.2409 129.0483 54.4254 34.6610 174.7518 14 A 4.6323 8.8389 129.9519 51.8849 19.3143 177.5488 15 L 4.6678 9.1765 122.5378 54.9144 42.7911 175.7124 16 E 4.8099 7.8043 115.5785 54.4827 33.1904 174.7118 17 D 4.5936 8.7484 119.3074 54.8946 41.5418 176.0440 18 G 3.8936 8.3647 106.7144 46.7167 0.0000 174.4462 19 V 3.9750 7.8520 119.1627 62.3399 33.2801 174.2108 20 N 5.2388 9.3432 126.1648 51.9666 41.0617 173.3371 21 V 4.5341 8.8018 127.9496 61.6209 33.0034 173.9673 22 I 4.7030 8.8434 130.3647 59.5980 39.0831 175.2241 23 G 4.2933 9.4955 116.1833 45.1263 0.0000 172.5593 24 L 5.1193 9.0073 124.5976 53.1594 44.7257 177.4701 25 T 4.2054 8.3498 109.0922 62.3220 70.8256 174.0444 *31 R 4.1798 7.6715 118.6681 55.9088 31.2184 174.2549 32 F 4.8203 8.6853 116.9409 56.2202 42.6240 172.9596 33 H 5.0957 8.8601 123.8030 56.6238 31.3845 175.3991 34 H 4.2451 6.2467 122.6475 56.1513 30.3741 172.9980 35 S 4.8588 8.4069 120.7709 57.1465 64.5562 173.2422 36 E 4.4589 8.2555 124.3223 54.9951 32.5328 174.2619 37 K 4.7684 8.6830 127.0132 56.0879 33.4987 176.4803 38 L 4.9571 9.0284 123.5381 53.1521 45.2488 175.4490 39 D 5.1251 9.9890 123.8493 51.8889 43.8266 175.7341 40 K 3.9919 8.6985 122.2343 59.0025 32.0888 176.9561 41 G 4.0080 9.3356 115.9605 44.9772 0.0000 173.0565 42 E 4.3251 8.2711 119.9412 56.0934 30.9822 175.8948 43 V 4.9151 8.2675 121.7059 61.0255 34.4004 174.1853 44 L 4.6878 9.1878 129.8186 53.3260 44.7609 175.0107 45 I 4.7898 8.4606 126.7837 59.8862 38.3659 174.3208 46 A 4.6351 8.9834 130.2880 50.1730 20.9212 175.3147 47 Q 5.0354 8.4535 123.2455 54.2098 31.6431 174.8604 48 F 4.4701 8.7650 124.3546 57.5596 39.6385 175.7915 49 T 4.5803 8.4570 114.5093 59.7081 71.1503 174.3520 50 E 4.1504 8.7581 118.7143 59.7927 29.8122 177.7938 51 H 4.0432 8.4762 115.5646 57.9338 28.8122 174.8566 52 T 4.7429 7.5766 115.6551 61.8009 69.0221 174.0896 53 S 4.4937 8.8835 122.3076 60.5942 63.8038 174.5649 54 A 5.1194 8.0297 120.9234 49.5812 22.8748 174.6096 55 I 4.9352 8.4663 119.3376 59.4127 40.4309 174.8076 56 K 4.5811 9.2418 128.8742 54.5657 34.6444 174.8727 57 V 4.8079 8.4055 126.4327 61.1990 33.7233 174.2615 58 R 4.4836 9.0826 129.3621 55.0285 32.0734 174.6267 59 G 4.0853 8.8948 111.3645 43.1129 0.0000 172.6919 60 K 4.5857 8.9213 120.9711 56.0412 32.7144 175.5451 61 A 5.1313 9.0335 128.6214 50.7107 23.5301 173.5759 62 Y 4.9574 9.2241 121.3635 56.0238 41.0021 174.5650 63 I 4.9560 8.6249 127.3865 59.5116 40.8075 174.3538 64 Q 4.8596 9.2331 125.9923 54.2628 31.5594 174.8758 65 T 4.8086 8.5721 112.6520 59.4046 72.4856 174.6246 66 R 3.6773 8.5667 121.4292 59.5511 29.8252 176.3812 67 H 4.7046 7.6418 112.7302 55.4825 29.0120 174.0425 68 G 3.7210 8.0654 107.1121 44.2385 0.0000 173.3341 69 V 4.5963 7.7961 111.0706 60.4617 33.6231 175.5975 70 I 4.4803 8.2508 121.4270 59.9846 41.9170 172.6295 71 E 5.2243 8.7353 128.1332 54.3816 31.8741 174.9746 72 S 4.6584 9.0330 122.3544 57.2288 65.1365 174.4015 73 E 4.2800 8.7118 122.3395 56.4453 29.6029 175.7192 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 7 S 8.33 4.48 0.00 3.92 4.02 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 8 D 7.98 4.85 0.00 2.80 2.58 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 0.00 9 F 8.83 5.54 0.00 3.13 2.99 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 10 V 9.24 4.68 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 0.74 0.00 0.00 0.87 0.00 0.00 11 V 8.61 4.76 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 1.07 0.00 0.00 1.16 0.00 0.00 12 I 8.95 4.97 1.87 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 1.10 0.49 0.92 0.00 0.00 13 K 9.24 5.07 0.00 1.88 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.84 4.63 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 15 L 9.18 4.67 0.00 1.57 1.73 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.80 4.81 0.00 1.90 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 0.00 2.17 2.33 0.00 17 D 8.75 4.59 0.00 2.69 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 18 G 8.36 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 0.00 0.00 0.00 0.00 19 V 7.85 3.97 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 0.98 0.00 0.00 1.05 0.00 0.00 20 N 9.34 5.24 0.00 2.82 2.65 0.00 0.00 6.61 7.55 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 21 V 8.80 4.53 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 0.86 0.00 0.00 0.91 0.00 0.00 22 I 8.84 4.70 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.97 0.00 0.00 23 G 9.50 4.29 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 0.00 24 L 9.01 5.12 0.00 1.76 1.45 0.65 0.20 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 25 T 8.35 4.21 4.23 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 1.31 0.00 0.00 *31 R 7.67 4.18 0.00 1.86 2.02 0.00 3.36 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 32 F 8.69 4.82 0.00 2.98 2.97 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 0.00 0.00 0.00 33 H 8.86 5.10 0.00 3.09 2.59 0.00 5.92 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 34 H 6.25 4.25 0.00 2.80 3.03 0.00 5.82 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.41 4.86 0.00 3.92 3.70 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 36 E 8.26 4.46 0.00 1.98 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 0.00 2.17 2.30 0.00 37 K 8.68 4.77 0.00 1.67 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.58 7.81 38 L 9.03 4.96 0.00 1.64 1.51 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.99 5.13 0.00 2.81 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 40 K 8.70 3.99 0.00 1.60 2.01 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.44 7.81 41 G 9.34 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 0.00 0.00 0.00 42 E 8.27 4.33 0.00 2.10 1.87 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 2.32 2.25 0.00 43 V 8.27 4.92 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 0.96 0.00 0.00 44 L 9.19 4.69 0.00 1.71 1.46 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.79 1.71 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 1.21 0.90 0.57 0.00 0.00 46 A 8.98 4.64 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 47 Q 8.45 5.04 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 48 F 8.76 4.47 0.00 3.07 2.99 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 49 T 8.46 4.58 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 E 8.76 4.15 0.00 2.10 2.15 0.00 0.00 0.00 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 2.34 0.00 51 H 8.48 4.04 0.00 3.14 3.46 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.58 4.74 4.33 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 1.32 0.00 0.00 53 S 8.88 4.49 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 5.12 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 55 I 8.47 4.94 1.81 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.56 0.88 0.00 0.00 56 K 9.24 4.58 0.00 1.75 1.65 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 57 V 8.41 4.81 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 0.85 0.00 0.00 0.92 0.00 0.00 58 R 9.08 4.48 0.00 1.93 1.77 0.00 3.14 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 59 G 8.89 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 0.00 0.00 0.00 60 K 8.92 4.59 0.00 1.91 1.74 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 9.03 5.13 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 62 Y 9.22 4.96 0.00 2.98 2.85 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 63 I 8.62 4.96 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.91 0.00 0.00 64 Q 9.23 4.86 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 65 T 8.57 4.81 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 1.18 0.00 0.00 66 R 8.57 3.68 0.00 1.58 1.79 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 67 H 7.64 4.70 0.00 3.19 3.25 0.00 5.68 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 68 G 8.07 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 69 V 7.80 4.60 1.54 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 0.68 0.00 0.00 0.99 0.00 0.00 70 I 8.25 4.48 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 1.10 1.15 0.86 0.00 0.00 71 E 8.74 5.22 0.00 2.11 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 2.24 2.38 0.00 72 S 9.03 4.66 0.00 3.94 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 73 E 8.71 4.28 0.00 1.97 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 0.00 2.24 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.