NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1309 7.8833 121.4521 61.6366 37.6079 173.3036 2 V 4.3227 8.1450 119.7403 59.2695 31.3680 173.5095 3 C 5.2317 8.5820 129.7804 56.9237 42.8455 175.9412 4 H 4.4550 8.7538 119.2256 56.3146 27.4766 176.4232 5 T 3.7396 7.9108 117.6685 64.0072 68.8919 175.8303 6 T 5.2994 8.2721 114.9097 60.6843 69.1262 175.5562 7 A 4.1985 7.6585 126.6952 52.4114 17.0358 177.5586 8 T 3.4156 8.2479 115.7190 62.0351 67.5396 173.5974 9 S 4.5471 7.4802 115.9184 58.0169 67.1682 173.1913 10 P 4.5281 0.0000 0.0000 63.3399 29.4593 175.8607 11 I 3.4093 7.6336 131.9225 63.6497 35.1789 173.9091 12 S 4.7870 7.9713 114.7737 56.4547 66.2246 175.8664 13 A 5.3154 8.5401 125.3346 51.3951 15.8082 175.1704 14 V 4.3811 7.6731 118.8775 60.6131 34.5277 175.4037 15 T 4.4126 8.9613 118.2847 60.8141 68.1046 172.1279 16 C 4.3585 8.6448 122.8750 55.2188 42.0032 172.4158 17 P 4.1389 0.0000 0.0000 64.6083 31.1342 174.8966 18 P 4.3881 0.0000 0.0000 64.2416 30.9417 175.0908 19 G 3.9940 7.9067 109.9482 43.6761 0.0000 169.7687 20 E 5.0427 7.5541 119.9757 54.3694 32.8440 177.5653 21 N 4.6200 8.7788 119.0419 54.6071 38.0401 174.2844 22 L 5.0778 8.2314 119.1308 53.4816 46.2515 174.8697 23 C 3.4569 9.3781 120.4652 57.6093 40.9928 174.5150 24 Y 3.1285 7.4317 117.8162 54.0997 38.8955 178.8701 25 R 3.5974 7.6682 119.1388 54.4416 28.7656 173.5479 26 K 4.9817 8.8440 121.5898 54.6974 32.4705 174.0582 27 M 5.4110 9.4185 125.1250 53.6492 35.0979 174.3942 28 W 5.3918 9.0546 121.9557 57.2879 31.6536 172.9171 29 C 3.6399 8.9358 115.9968 57.8942 40.2090 170.6011 30 D 4.4262 9.4377 128.0416 55.0341 36.7509 173.5101 31 A 3.8238 7.9883 123.0487 53.1978 16.6329 178.7424 32 F 3.8739 9.9802 112.0022 63.3694 37.5560 174.2030 33 C 4.3739 8.2756 115.5681 56.5698 41.5791 172.0872 34 S 4.2911 7.5996 121.7127 58.6308 70.0800 176.1870 35 S 4.3643 7.0690 114.3531 56.9373 63.9061 172.7003 36 R 3.7880 8.3001 126.7711 57.6114 27.1750 175.8481 37 G 4.0390 7.7655 107.9657 45.8821 0.0000 170.8885 38 K 4.9305 8.5850 120.1366 54.0862 33.3749 176.0855 39 V 3.2708 8.7086 125.7497 62.7042 31.3437 174.1420 40 V 4.5981 7.7506 126.7988 60.7393 33.3526 173.9236 41 E 4.2473 9.0789 130.8232 55.3512 30.8744 175.3571 42 L 4.6583 8.5472 128.4321 53.0533 40.6224 173.9367 43 G 4.1805 8.3126 108.9404 44.3611 0.0000 170.5874 44 C 5.0562 9.1915 123.6428 57.2364 42.4116 172.5955 45 A 4.9841 9.0126 126.2375 50.2322 21.4885 177.1471 46 A 4.1025 8.5944 122.2346 54.1218 19.2363 178.3835 47 T 4.5289 7.4330 109.1645 62.5122 72.3727 172.7912 48 C 4.6543 8.4363 120.2534 52.8956 41.5256 171.8599 49 P 4.5987 0.0000 0.0000 62.0999 31.9605 177.0182 50 S 4.2451 8.6387 114.3460 60.9939 63.0209 174.9956 51 K 4.6260 7.9384 120.7954 53.3244 30.5122 175.2553 52 K 4.3488 6.9249 120.5708 53.2366 35.7611 174.9648 53 P 3.9424 0.0000 0.0000 62.9052 30.9169 176.9184 54 Y 4.0928 8.1866 122.3714 58.0576 35.8072 174.8248 55 E 4.8852 7.8516 122.1339 54.0406 33.8655 175.9772 56 E 4.2590 9.1143 122.1010 56.1254 29.7613 175.5623 57 V 5.2065 8.1191 124.5193 60.9253 33.0067 175.6957 58 T 4.3654 8.6445 126.5847 62.7070 67.7630 172.7881 59 C 4.7797 8.4823 120.4425 54.1064 39.8223 173.6721 60 C 4.5212 9.0171 128.5659 55.5602 45.7604 172.7312 61 S 4.3656 8.7339 116.4136 59.1696 62.3052 175.0209 62 T 4.1761 7.6689 114.6723 61.5449 70.3862 171.7602 63 D 4.2295 8.7832 123.4364 55.2425 35.9956 172.3242 64 K 3.7915 8.7956 119.2970 53.4441 32.0053 175.8204 65 C 4.3154 8.1467 122.2384 57.5105 43.7841 174.1173 66 N 4.9172 7.7973 120.8356 50.0514 36.8623 171.6491 67 P 4.3209 0.0000 0.0000 63.4416 32.4994 177.8013 68 H 3.5095 7.6588 118.1079 58.2331 31.5848 174.3295 69 P 4.4759 0.0000 0.0000 61.8326 32.1839 175.6913 70 K 4.0896 8.3656 117.5006 56.7687 31.1974 178.2366 71 Q 4.3797 8.4463 125.6013 55.6075 26.0229 174.8503 72 R 4.5907 7.6086 115.3173 53.1440 31.6665 175.6078 73 P 4.3329 0.0000 0.0000 62.1933 32.0523 176.5575 74 G 3.7540 8.6153 110.1022 45.9492 0.0000 173.2761 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 I 7.88 4.13 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.90 0.00 0.00 2 V 8.14 4.32 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 0.74 0.00 0.00 0.94 0.00 0.00 3 C 8.58 5.23 0.00 3.14 3.13 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 4 H 8.75 4.46 0.00 3.58 3.28 0.00 5.66 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 5 T 7.91 3.74 4.48 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 1.28 0.00 0.00 6 T 8.27 5.30 4.14 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 0.00 0.00 0.00 1.11 0.00 0.00 7 A 7.66 4.20 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 8 T 8.25 3.42 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 1.20 0.00 0.00 9 S 7.48 4.55 0.00 3.95 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 10 P 0.00 4.53 0.00 2.15 2.06 0.00 3.89 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 1.96 1.96 0.00 11 I 7.63 3.41 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.38 0.97 0.00 0.00 12 S 7.97 4.79 0.00 3.72 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.54 5.32 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 14 V 7.67 4.38 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 0.97 0.00 0.00 0.93 0.00 0.00 15 T 8.96 4.41 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 1.25 0.00 0.00 16 C 8.64 4.36 0.00 3.30 3.23 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 17 P 0.00 4.14 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 18 P 0.00 4.39 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 19 G 7.91 3.99 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 0.00 0.00 0.00 20 E 7.55 5.04 0.00 1.86 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 2.22 2.25 0.00 21 N 8.78 4.62 0.00 2.74 3.02 0.00 0.00 5.72 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.23 5.08 0.00 1.51 1.42 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.38 3.46 0.00 2.66 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 24 Y 7.43 3.13 0.00 2.94 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 25 R 7.67 3.60 0.00 2.28 2.11 0.00 3.41 0.00 0.00 3.48 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 26 K 8.84 4.98 0.00 2.19 1.98 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.55 7.81 27 M 9.42 5.41 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 28 W 9.05 5.39 0.00 3.18 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 29 C 8.94 3.64 0.00 3.08 3.15 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 0.00 0.00 0.00 30 D 9.44 4.43 0.00 2.95 2.81 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 31 A 7.99 3.82 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.98 3.87 0.00 3.07 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.37 0.00 3.18 3.51 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 0.00 34 S 7.60 4.29 0.00 3.67 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.07 4.36 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.30 3.79 0.00 2.03 2.14 0.00 3.25 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 37 G 7.77 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 38 K 8.59 4.93 0.00 1.65 1.74 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.42 7.81 39 V 8.71 3.27 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.68 0.00 0.00 40 V 7.75 4.60 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 0.89 0.00 0.00 0.69 0.00 0.00 41 E 9.08 4.25 0.00 2.21 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 2.44 2.45 0.00 42 L 8.55 4.66 0.00 1.14 0.43 0.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.31 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 44 C 9.19 5.06 0.00 3.15 3.11 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 45 A 9.01 4.98 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 46 A 8.59 4.10 1.33 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 0.00 0.00 0.00 47 T 7.43 4.53 4.21 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 1.19 0.00 0.00 48 C 8.44 4.65 0.00 3.02 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 49 P 0.00 4.60 0.00 2.15 2.05 0.00 3.70 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 1.88 1.88 0.00 50 S 8.64 4.25 0.00 4.05 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 51 K 7.94 4.63 0.00 1.74 1.82 0.00 1.74 0.00 0.00 1.38 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.40 7.81 52 K 6.92 4.35 0.00 1.52 1.63 0.00 1.44 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.02 0.56 7.81 53 P 0.00 3.94 0.00 1.79 1.87 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 54 Y 8.19 4.09 0.00 3.04 2.96 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 0.00 0.00 0.00 0.00 55 E 7.85 4.89 0.00 1.61 1.96 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 0.00 1.70 2.03 0.00 56 E 9.11 4.26 0.00 2.15 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 2.39 2.33 0.00 57 V 8.12 5.21 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 1.10 0.00 0.00 0.96 0.00 0.00 58 T 8.64 4.37 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 1.28 0.00 0.00 59 C 8.48 4.78 0.00 2.92 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 60 C 9.02 4.52 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.73 4.37 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.67 4.18 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 1.20 0.00 0.00 63 D 8.78 4.23 0.00 2.89 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 64 K 8.80 3.79 0.00 1.94 1.92 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.37 7.81 65 C 8.15 4.32 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 66 N 7.80 4.92 0.00 2.90 2.82 0.00 0.00 6.32 7.24 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 67 P 0.00 4.32 0.00 2.13 1.83 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 68 H 7.66 3.51 0.00 3.09 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.48 0.00 2.25 2.15 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 70 K 8.37 4.09 0.00 1.79 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.51 0.00 0.00 0.00 0.00 1.47 1.43 7.81 71 Q 8.45 4.38 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 72 R 7.61 4.59 0.00 1.91 1.93 0.00 3.14 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 73 P 0.00 4.33 0.00 2.07 2.04 0.00 3.69 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 2.09 0.00 74 G 8.62 3.75 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 0.00 0.00 0.00