NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3277 0.0000 0.0000 62.5868 32.7528 175.2966 2 V 4.4167 7.6420 119.4425 60.0001 34.2826 172.9155 3 F 4.7568 9.0555 120.5682 55.8414 42.6379 175.7477 4 A 4.7532 8.3077 124.7548 50.8001 22.3054 175.0979 5 K 4.5001 8.3417 119.6800 54.3781 34.2034 175.5601 6 A 4.3123 8.4924 128.5680 51.6681 18.7663 177.2305 7 I 4.1442 8.3516 116.8279 61.8342 38.8761 175.9880 8 Q 4.5694 7.6224 120.0963 53.3281 31.7641 174.6120 9 K 4.1059 8.4410 125.0349 56.6607 32.9155 176.4718 10 R 4.3817 8.1535 123.6706 55.2091 32.3991 174.2050 11 V 4.2547 8.2906 125.8995 60.9416 32.7381 173.9907 12 P 4.5624 0.0000 0.0000 63.4811 31.5296 175.4237 13 C 4.8501 7.8813 115.6735 58.7368 30.7216 173.5003 14 A 4.8197 8.4573 125.5664 50.4040 21.3311 174.6921 15 Y 4.6591 8.5083 121.9378 55.7985 40.7548 174.7606 16 D 4.5305 7.6387 126.3497 51.8260 41.5542 176.5372 17 K 3.6721 8.1711 127.2140 59.4383 32.8268 178.2985 18 T 4.0542 8.0708 109.0152 62.8167 69.3807 174.1215 19 A 4.5771 7.4525 125.3728 51.4960 18.9218 177.0110 20 L 4.2733 8.9395 126.2633 54.7924 42.8006 176.3718 21 A 4.5676 8.5714 127.7494 51.3055 19.9834 176.5743 22 L 4.7128 8.2870 119.0275 52.8922 45.8711 175.9158 23 E 4.6230 8.4277 121.7364 53.8966 31.7796 175.9163 24 V 3.6832 8.3475 122.7164 64.9124 31.7216 175.4800 25 G 4.0390 9.1186 115.3074 45.5635 0.0000 173.5895 26 D 4.3401 7.9431 119.4442 54.8614 41.2694 176.1177 27 I 4.2100 8.2312 124.1455 60.4134 37.9935 175.1183 28 V 4.4829 8.4240 125.4475 61.1136 33.6244 175.5873 29 K 4.4928 9.1667 130.9471 54.9181 31.7601 174.7243 30 V 4.3516 8.2609 125.2515 62.0590 31.5332 176.1563 31 T 4.4779 9.2118 121.5442 64.6324 70.2187 174.8506 32 R 4.6119 7.5043 117.7635 55.4740 34.7449 173.7574 33 M 4.8590 7.7632 119.4071 53.5282 36.5769 174.1437 34 N 4.2773 8.8278 113.5908 55.1181 36.0279 176.4501 35 I 4.2131 8.0011 119.3617 60.6441 36.3778 176.0999 36 N 4.0100 8.8964 118.9658 54.4381 36.0068 175.7992 37 G 4.1055 8.7972 103.7447 45.3719 0.0000 172.7547 38 Q 4.8110 7.7454 117.6661 53.6685 33.2623 174.2596 39 W 5.0883 8.2788 119.3158 54.9960 33.2211 174.2384 40 E 5.0517 8.9497 123.6603 55.1183 31.6438 175.1157 41 G 4.6633 9.1777 112.2095 46.0615 0.0000 171.1556 42 E 5.4626 9.0028 116.6047 54.9126 33.6762 174.8621 43 V 4.5853 8.3994 120.4007 60.6892 34.5865 174.5076 44 N 3.9308 9.0731 121.6104 54.9300 36.6535 175.6362 45 G 3.9224 8.7965 114.1084 46.7216 0.0000 172.7622 46 R 4.8446 7.7476 117.3359 54.4320 31.9129 175.5889 47 K 5.1488 8.3284 119.1567 55.6041 36.2741 175.7088 48 G 4.0619 8.2894 106.6119 46.7897 0.0000 171.9617 49 L 5.4068 8.0149 119.7447 53.7972 44.2428 175.9919 50 F 5.0471 7.7389 113.6038 56.3734 41.9100 171.6696 51 P 4.2464 0.0000 0.0000 62.1509 31.9612 177.9232 52 F 3.7229 7.3631 117.8350 58.9658 37.9624 177.4095 53 T 3.9202 6.8560 110.7485 64.4565 68.5952 174.5196 54 H 4.5651 7.9127 117.4535 56.1287 28.7758 174.9583 55 V 4.6206 7.4948 111.6914 59.8302 35.7579 174.1308 56 K 4.7331 8.3469 121.2941 54.3952 35.0113 176.2038 57 I 4.1016 8.5727 126.6634 62.0080 37.7067 175.1058 58 F 4.8974 7.8500 116.1438 55.4394 40.5869 173.4689 59 D 4.3705 8.9361 121.9984 53.6475 41.1046 175.5125 60 P 4.1209 0.0000 0.0000 65.3865 31.9632 176.3475 61 Q 4.5414 7.5548 115.7914 56.6948 29.3971 174.0824 62 N 3.6612 8.4650 116.1451 54.0351 39.1195 173.4609 *63 P 4.2054 0.0000 0.0000 62.4245 31.5544 173.0765 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 4.33 0.00 2.03 1.88 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 2 V 7.64 4.42 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 0.64 0.00 0.00 0.97 0.00 0.00 3 F 9.06 4.76 0.00 2.99 3.01 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 4 A 8.31 4.75 1.21 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 0.00 0.00 5 K 8.34 4.50 0.00 1.73 1.70 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.42 7.81 6 A 8.49 4.31 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 7 I 8.35 4.14 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.92 0.00 0.00 8 Q 7.62 4.57 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 9 K 8.44 4.11 0.00 1.76 1.69 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.43 7.81 10 R 8.15 4.38 0.00 1.73 1.76 0.00 3.33 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 11 V 8.29 4.25 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 1.00 0.00 0.00 0.93 0.00 0.00 12 P 0.00 4.56 0.00 2.22 2.12 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 13 C 7.88 4.85 0.00 2.99 2.87 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 14 A 8.46 4.82 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 15 Y 8.51 4.66 0.00 2.83 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 16 D 7.64 4.53 0.00 2.55 2.31 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 17 K 8.17 3.67 0.00 1.92 2.00 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 18 T 8.07 4.05 4.22 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 1.18 0.00 0.00 19 A 7.45 4.58 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 20 L 8.94 4.27 0.00 1.73 1.91 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.57 4.57 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.29 4.71 0.00 1.53 1.44 0.62 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.43 4.62 0.00 2.28 1.80 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 2.21 2.33 0.00 24 V 8.35 3.68 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 25 G 9.12 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.94 4.34 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.21 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 1.12 0.00 0.00 28 V 8.42 4.48 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.78 0.00 0.00 29 K 9.17 4.49 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.39 7.81 30 V 8.26 4.35 2.52 0.00 0.00 0.00 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 0.71 0.00 0.00 31 T 9.21 4.48 4.39 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 1.24 0.00 0.00 32 R 7.50 4.61 0.00 1.70 1.71 0.00 3.04 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 33 M 7.76 4.86 0.00 1.32 1.56 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 0.00 34 N 8.83 4.28 0.00 2.87 2.94 0.00 0.00 6.83 7.45 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 35 I 8.00 4.21 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.92 0.00 0.00 36 N 8.90 4.01 0.00 2.88 2.90 0.00 0.00 7.39 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 37 G 8.80 4.11 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 0.00 38 Q 7.75 4.81 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.65 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 39 W 8.28 5.09 0.00 2.38 2.82 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 40 E 8.95 5.05 0.00 2.05 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 2.29 2.32 0.00 41 G 9.18 4.66 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 0.00 0.00 0.00 42 E 9.00 5.46 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 43 V 8.40 4.59 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 0.69 0.00 0.00 0.98 0.00 0.00 44 N 9.07 3.93 0.00 2.90 2.61 0.00 0.00 7.00 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 8.80 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.75 4.84 0.00 1.95 2.07 0.00 2.74 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 47 K 8.33 5.15 0.00 1.77 1.90 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.32 1.40 7.81 48 G 8.29 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 5.41 0.00 1.61 1.55 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.74 5.05 0.00 3.08 3.09 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 51 P 0.00 4.25 0.00 1.98 1.72 0.00 3.52 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 52 F 7.36 3.72 0.00 1.51 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 0.00 0.00 0.00 0.00 53 T 6.86 3.92 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 0.92 0.00 0.00 54 H 7.91 4.57 0.00 3.33 3.36 0.00 5.65 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 55 V 7.49 4.62 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 0.61 0.00 0.00 1.17 0.00 0.00 56 K 8.35 4.73 0.00 1.72 1.72 0.00 1.94 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.46 7.81 57 I 8.57 4.10 1.99 0.00 0.00 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 1.57 0.69 0.91 0.00 0.00 58 F 7.85 4.90 0.00 3.15 3.01 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 59 D 8.94 4.37 0.00 2.75 2.66 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 60 P 0.00 4.12 0.00 2.02 2.05 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 61 Q 7.55 4.54 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.95 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 62 N 8.46 3.66 0.00 2.96 2.92 0.00 0.00 6.65 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 *63 P 0.00 4.21 0.00 1.86 1.90 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.