NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9157 8.3544 109.7374 45.9380 0.0000 172.8566 2 S 4.1048 8.1097 118.1464 60.4115 63.3747 173.0669 3 S 4.1869 8.0921 117.3117 58.1869 62.8586 173.5457 4 G 3.5254 8.2050 117.1416 46.4147 0.0000 173.3307 5 S 4.5242 7.4539 126.1990 55.5220 63.0359 174.2274 6 S 4.1931 8.8527 121.8774 59.6189 62.8889 175.7570 7 G 4.1270 8.4810 113.8119 43.6756 0.0000 171.8045 8 D 4.4015 8.2309 118.0871 54.4629 39.5363 176.3726 9 R 4.0319 8.0236 115.8081 58.8508 29.8812 177.2786 10 Q 4.0476 7.2115 118.4671 55.5048 29.0361 175.9713 11 F 3.9381 9.0863 121.2923 58.1120 38.6348 174.7710 12 M 4.6082 8.5278 126.3366 53.8751 33.1518 176.3991 13 N 4.8561 8.4670 123.4501 50.6721 38.0028 173.7074 14 V 4.4308 7.3697 118.2009 59.4114 34.6097 175.0539 15 W 4.0943 9.0608 123.8468 57.6265 29.2583 176.0704 16 T 4.7440 8.3565 113.4705 59.4094 72.2287 174.5403 17 D 4.4344 8.6029 121.2658 58.3562 40.4713 178.9050 18 H 4.2017 8.1459 115.5824 59.3061 28.6004 177.3312 19 E 4.0996 7.8427 119.4373 59.3897 29.3907 179.1352 20 K 3.7820 8.5431 118.7730 59.9653 32.1876 178.7246 21 E 4.0148 8.4636 118.4728 59.8781 29.5306 179.8232 22 I 3.7424 7.5562 119.0827 64.2853 36.8660 178.0123 23 F 4.0875 8.5688 121.8580 61.2389 39.0522 177.1242 24 K 4.1238 8.4131 118.8907 59.4106 30.6480 178.2234 25 D 4.4540 8.4014 119.7195 57.6690 40.6957 179.6928 26 K 3.9675 8.0711 117.8912 59.5959 31.7527 179.2223 27 F 3.7228 7.6540 120.8016 61.4029 39.0757 177.2236 28 I 3.8026 7.7659 117.7785 65.2085 37.0484 177.9840 29 Q 4.1111 7.3434 116.7786 57.2066 29.8778 177.1422 30 H 4.6289 8.1658 121.2207 53.2636 27.0948 172.8169 31 P 3.3302 0.0000 0.0000 62.3523 32.1363 177.4882 32 K 3.3475 7.5745 117.1318 57.3229 29.3783 175.7190 33 N 4.5808 6.6893 118.8380 51.1624 39.0144 174.4663 34 F 4.7970 7.8459 122.9962 59.2659 39.1411 177.1457 35 G 3.7001 8.1365 104.8431 47.3802 0.0000 174.6349 36 L 4.2960 7.8322 121.8138 57.2611 42.3418 178.3195 37 I 3.8662 7.4180 118.1773 64.7161 36.9855 177.7305 38 A 4.3065 8.1363 120.9337 54.8806 18.2047 179.2968 39 S 4.0399 8.3184 111.3110 61.9815 62.3933 175.9675 40 Y 4.2054 7.9484 117.7252 60.1449 39.1788 177.3521 41 L 4.4326 7.6181 122.0322 52.6162 39.3096 176.8494 42 E 3.9486 8.2625 120.3115 59.3181 29.8428 179.8257 43 R 3.9669 8.0450 116.9822 57.8496 30.2485 176.5390 44 K 4.4957 7.8239 115.6977 54.5034 34.4898 175.1148 45 S 4.7140 8.0024 114.9399 56.3608 64.8024 175.0674 46 V 3.7266 8.2619 120.6747 65.6126 31.2436 175.7260 47 P 4.5656 0.0000 0.0000 63.9390 31.3462 177.0271 48 D 4.6381 7.6026 119.2499 57.0933 41.4084 177.9739 49 C 4.8027 8.1203 117.6725 62.5493 27.4118 176.1703 50 V 2.0000 7.4623 120.2837 64.5263 30.4679 178.3121 51 L 3.8051 7.8943 118.7135 57.7739 41.5343 178.2033 52 Y 3.6374 7.9619 119.4771 61.1954 38.3134 177.6092 53 Y 4.5036 7.7046 118.9071 61.4060 39.0232 177.8930 54 Y 3.6784 8.8429 117.5125 60.7534 37.9337 177.5572 55 L 3.8075 7.8445 117.9821 58.5039 41.7879 179.6582 56 T 3.7805 7.4703 113.5445 64.8711 68.7749 175.1210 57 K 4.3224 7.5790 120.5308 55.5456 32.5591 176.7001 58 K 4.2751 7.7745 120.4029 54.9302 32.7296 174.3618 59 N 4.8994 8.3674 122.6116 51.2801 41.8766 174.1484 60 E 4.3059 8.3814 120.3690 54.8393 29.1203 175.1791 61 N 4.4918 8.5027 123.6593 53.6508 39.0513 174.7072 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 8.35 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 2 S 8.11 4.10 0.00 3.92 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 3 S 8.09 4.19 0.00 3.90 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 4 G 8.20 3.53 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 0.00 0.00 0.00 5 S 7.45 4.52 0.00 3.95 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 6 S 8.85 4.19 0.00 3.85 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 7 G 8.48 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 8 D 8.23 4.40 0.00 2.85 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 9 R 8.02 4.03 0.00 1.87 2.03 0.00 3.03 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 10 Q 7.21 4.05 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 11 F 9.09 3.94 0.00 2.97 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 12 M 8.53 4.61 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 13 N 8.47 4.86 0.00 2.68 2.74 0.00 0.00 6.92 7.69 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 14 V 7.37 4.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.01 0.00 0.00 15 W 9.06 4.09 0.00 3.36 3.27 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 0.00 16 T 8.36 4.74 4.25 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 1.31 0.00 0.00 17 D 8.60 4.43 0.00 2.60 2.77 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 0.00 0.00 0.00 18 H 8.15 4.20 0.00 3.20 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.84 4.10 0.00 2.52 2.13 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 2.35 2.39 0.00 20 K 8.54 3.78 0.00 1.99 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.84 7.81 21 E 8.46 4.01 0.00 2.26 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 0.00 2.38 2.51 0.00 22 I 7.56 3.74 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.91 0.00 0.00 23 F 8.57 4.09 0.00 3.11 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 24 K 8.41 4.12 0.00 2.00 1.85 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 25 D 8.40 4.45 0.00 2.98 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.97 0.00 1.82 1.82 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.32 7.81 27 F 7.65 3.72 0.00 3.19 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 28 I 7.77 3.80 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.93 0.93 0.00 0.00 29 Q 7.34 4.11 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.16 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 30 H 8.17 4.63 0.00 3.03 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 3.33 0.00 1.63 1.48 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 32 K 7.57 3.35 0.00 1.60 1.61 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.95 1.12 7.81 33 N 6.69 4.58 0.00 2.72 2.60 0.00 0.00 7.25 7.52 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 34 F 7.85 4.80 0.00 3.20 3.07 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 35 G 8.14 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 0.00 0.00 0.00 36 L 7.83 4.30 0.00 1.73 1.64 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.42 3.87 1.97 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.84 0.00 0.00 38 A 8.14 4.31 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.04 0.00 3.89 4.05 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 40 Y 7.95 4.21 0.00 3.03 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 41 L 7.62 4.43 0.00 1.76 1.58 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.26 3.95 0.00 2.06 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 0.00 2.28 2.34 0.00 43 R 8.04 3.97 0.00 1.71 1.98 0.00 3.30 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 44 K 7.82 4.50 0.00 1.72 1.64 0.00 1.30 0.00 0.00 1.40 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.78 7.81 45 S 8.00 4.71 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.26 3.73 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 1.02 0.00 0.00 1.07 0.00 0.00 47 P 0.00 4.57 0.00 2.23 2.17 0.00 3.76 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 2.01 2.01 0.00 48 D 7.60 4.64 0.00 2.92 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 49 C 8.12 4.80 0.00 3.15 3.49 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 50 V 7.46 2.00 1.58 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 0.77 0.00 0.00 0.94 0.00 0.00 51 L 7.89 3.81 0.00 1.92 1.76 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.96 3.64 0.00 2.44 2.63 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 0.00 0.00 0.00 0.00 53 Y 7.70 4.50 0.00 3.87 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 54 Y 8.84 3.68 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.84 3.81 0.00 1.28 1.36 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.47 3.78 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 1.06 0.00 0.00 57 K 7.58 4.32 0.00 1.33 1.39 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.18 7.81 58 K 7.77 4.28 0.00 1.76 1.75 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.40 7.81 59 N 8.37 4.90 0.00 2.66 2.65 0.00 0.00 6.98 7.61 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 60 E 8.38 4.31 0.00 1.89 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 2.20 2.20 0.00 61 N 8.50 4.49 0.00 2.69 2.67 0.00 0.00 7.08 7.57 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