NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3751 0.0000 0.0000 62.2285 33.6865 177.0076 2 H 4.8212 7.4691 112.3099 54.5719 28.3292 171.1096 3 I 3.8203 6.9362 118.9482 59.6783 41.9174 177.6844 4 K 4.3389 8.1561 120.9350 56.7180 31.8887 177.0661 5 R 4.1605 7.4113 117.3778 56.1453 31.6065 176.3833 6 P 4.5714 0.0000 0.0000 62.1624 29.7583 174.6501 7 M 4.6554 7.0180 118.9964 56.2287 34.4050 174.3599 8 N 3.9769 8.0272 115.0039 52.6028 41.4918 175.2107 9 A 4.6379 7.8485 121.6699 54.8937 17.8499 179.3425 10 F 2.3956 9.8567 119.0045 61.1103 39.2529 177.3729 11 M 3.6145 7.9602 117.4927 57.3481 31.2623 178.7973 12 V 3.6280 8.2558 119.8320 65.4533 31.8792 177.6902 13 W 3.9868 9.3193 128.2450 60.0007 30.3529 177.9591 14 A 2.6905 9.6579 120.8793 53.9519 17.1951 179.6565 15 K 3.4230 7.4540 117.6569 59.5636 32.3016 178.4315 16 D 4.3071 7.0835 115.3036 55.9622 41.5523 178.1921 17 E 3.4166 7.6121 119.9689 58.8369 28.4004 179.3581 18 R 3.8793 8.5749 117.6365 58.9057 29.2954 179.1041 19 R 4.3194 7.3924 116.3747 58.9181 29.3009 178.6876 20 K 4.6731 8.6089 121.2876 57.7605 32.3232 178.2344 21 I 3.9374 7.4311 119.8579 63.5275 37.6895 177.3836 22 L 4.3127 9.3839 122.8529 57.6256 41.6275 179.0891 23 Q 3.9026 7.7475 116.8854 59.0942 28.2546 178.2413 24 A 3.9318 7.3884 120.6221 52.7162 20.3820 177.5641 25 F 5.1131 8.1874 116.7044 55.3709 39.7692 173.4953 26 P 4.7601 0.0000 0.0000 63.5725 31.7691 177.6432 27 D 4.6604 7.8810 117.9282 55.5905 42.2397 176.2376 28 M 4.2329 7.8853 118.3128 56.0073 30.4423 175.7574 29 H 4.6727 8.3631 122.1854 54.1848 31.8980 174.5219 30 N 4.1363 8.6977 117.5345 57.4681 38.3147 176.4999 31 S 3.9795 7.4943 113.1362 60.8097 62.5001 174.7112 32 N 4.7949 7.6065 116.3939 55.1834 40.0236 176.7352 33 I 3.8136 8.3302 121.1405 64.3303 37.1128 178.5214 34 S 4.2821 8.2493 116.6466 61.6529 62.6397 176.8902 35 K 4.1871 8.1836 120.9095 59.5162 32.2931 179.4143 36 I 3.8643 7.6342 121.0778 64.4643 36.9579 177.7759 37 L 4.4157 8.9483 120.5211 58.1173 41.2409 179.8905 38 G 3.7348 8.9459 105.1493 47.1941 0.0000 174.6673 39 S 4.7652 7.8582 115.5386 59.4398 63.9909 175.8537 40 R 4.4875 8.6807 121.3101 58.0943 30.1585 178.4457 41 W 3.2957 9.7455 129.5278 60.2304 30.6498 178.3023 42 K 4.0478 7.8429 115.8362 58.5752 31.5117 178.1420 43 A 4.4041 7.1311 118.1661 52.7841 19.0535 178.0733 44 M 4.6690 8.3281 126.5226 55.5118 31.8880 177.8134 45 T 4.3426 7.5987 116.2301 62.3762 70.9891 173.3309 46 N 4.3593 7.9983 125.6017 54.8474 38.2148 176.2425 47 L 3.9196 7.4369 115.7129 57.0541 41.6343 177.6252 48 E 4.0482 7.8324 117.8392 56.9315 29.8729 176.9164 49 K 4.3744 7.5887 117.5528 57.3709 31.8737 178.3986 50 Q 3.8597 7.2898 120.8709 58.4085 28.6029 177.0755 51 P 4.2606 0.0000 0.0000 66.0976 31.8405 177.7947 52 Y 4.7119 6.8954 115.3038 59.7489 37.7660 177.5994 53 Y 4.0749 7.9338 118.6986 61.0660 38.4037 177.6657 54 E 4.0602 8.2074 119.3412 59.2714 29.4045 179.1268 55 E 4.1918 8.5949 118.6414 58.3520 29.3915 179.1463 56 Q 4.0467 8.2577 118.4391 59.1566 29.2061 178.0579 57 A 4.0211 7.9876 122.8972 54.5155 18.2887 179.4823 58 R 3.9177 8.2059 117.2108 59.2651 29.8447 178.9782 59 L 4.1182 7.8252 119.6380 59.0958 39.7540 179.2401 60 S 4.1917 8.3073 113.9522 60.7823 62.3135 175.8965 61 K 4.0538 8.1917 122.6362 59.3108 31.7356 178.8641 62 Q 4.9314 8.6035 119.2762 58.3855 28.8451 177.7731 63 H 4.6932 7.8251 120.6815 58.6261 29.9447 177.1235 64 L 3.9879 7.7372 120.2347 57.8435 41.6392 179.4274 65 E 4.0205 8.2981 117.3229 59.4467 28.9724 179.3508 66 K 4.3702 8.1527 118.7629 57.5765 32.5704 176.2122 67 Y 4.3451 8.1462 117.4414 55.6674 37.5524 174.0636 68 P 4.1443 0.0000 0.0000 65.4416 32.5086 178.6744 69 D 4.3979 7.4410 119.5213 51.9924 38.1375 175.6321 70 Y 4.3861 6.2917 120.8997 58.1832 38.1118 175.9460 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 4.38 0.00 2.12 2.19 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 2 H 7.47 4.82 0.00 3.41 3.46 0.00 5.40 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 6.94 3.82 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.75 0.00 0.00 4 K 8.16 4.34 0.00 1.86 1.91 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 5 R 7.41 4.16 0.00 1.79 1.88 0.00 3.14 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 6 P 0.00 4.57 0.00 2.16 2.07 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 7 M 7.02 4.66 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 8 N 8.03 3.98 0.00 2.64 2.67 0.00 0.00 6.65 8.06 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 9 A 7.85 4.64 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.86 2.40 0.00 1.51 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.96 3.61 0.00 2.03 2.18 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 2.89 2.65 0.00 12 V 8.26 3.63 2.20 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 1.16 0.00 0.00 0.91 0.00 0.00 13 W 9.32 3.99 0.00 2.74 3.39 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 0.00 14 A 9.66 2.69 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 3.42 0.00 1.85 2.08 0.00 1.24 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.31 7.81 16 D 7.08 4.31 0.00 2.60 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.61 3.42 0.00 1.16 1.12 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 0.00 1.75 1.47 0.00 18 R 8.57 3.88 0.00 1.79 2.03 0.00 2.70 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 19 R 7.39 4.32 0.00 2.03 2.39 0.00 2.75 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 20 K 8.61 4.67 0.00 1.60 1.81 0.00 1.43 0.00 0.00 1.48 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.43 7.81 21 I 7.43 3.94 2.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 1.10 0.00 0.00 22 L 9.38 4.31 0.00 1.92 1.65 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.75 3.90 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 24 A 7.39 3.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 5.11 0.00 3.06 2.84 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 26 P 0.00 4.76 0.00 2.19 2.17 0.00 3.45 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 27 D 7.88 4.66 0.00 2.72 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 28 M 7.89 4.23 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 29 H 8.36 4.67 0.00 3.43 3.44 0.00 5.55 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.70 4.14 0.00 2.75 2.80 0.00 0.00 6.48 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 31 S 7.49 3.98 0.00 3.68 3.91 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 32 N 7.61 4.79 0.00 2.94 2.83 0.00 0.00 7.13 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 33 I 8.33 3.81 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.22 0.91 0.00 0.00 34 S 8.25 4.28 0.00 4.02 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 35 K 8.18 4.19 0.00 2.09 2.11 0.00 1.23 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.71 7.81 36 I 7.63 3.86 2.05 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 1.71 0.46 1.03 0.00 0.00 37 L 8.95 4.42 0.00 2.06 1.95 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.95 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.86 4.77 0.00 4.18 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 40 R 8.68 4.49 0.00 2.63 2.90 0.00 3.48 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 41 W 9.75 3.30 0.00 3.49 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 42 K 7.84 4.05 0.00 1.85 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.75 7.81 43 A 7.13 4.40 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 44 M 8.33 4.67 0.00 1.50 0.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.42 0.00 45 T 7.60 4.34 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 1.14 0.00 0.00 46 N 8.00 4.36 0.00 2.77 2.82 0.00 0.00 7.07 6.61 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 47 L 7.44 3.92 0.00 1.57 1.61 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.83 4.05 0.00 1.95 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 2.42 2.36 0.00 49 K 7.59 4.37 0.00 1.76 1.58 0.00 1.02 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.43 7.81 50 Q 7.29 3.86 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 51 P 0.00 4.26 0.00 2.23 2.22 0.00 3.09 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.73 0.00 52 Y 6.90 4.71 0.00 3.63 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 53 Y 7.93 4.07 0.00 3.35 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 54 E 8.21 4.06 0.00 2.02 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 2.43 2.65 0.00 55 E 8.59 4.19 0.00 2.36 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 0.00 2.42 2.62 0.00 56 Q 8.26 4.05 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 57 A 7.99 4.02 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 58 R 8.21 3.92 0.00 2.12 2.00 0.00 3.18 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 59 L 7.83 4.12 0.00 1.90 1.97 0.98 0.85 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 60 S 8.31 4.19 0.00 4.01 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 61 K 8.19 4.05 0.00 2.17 1.85 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 62 Q 8.60 4.93 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.38 0.00 63 H 7.83 4.69 0.00 3.24 3.44 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.74 3.99 0.00 1.76 1.76 0.91 0.80 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 65 E 8.30 4.02 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 66 K 8.15 4.37 0.00 2.40 2.17 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.75 7.81 67 Y 8.15 4.35 0.00 2.91 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 68 P 0.00 4.14 0.00 2.00 2.06 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 69 D 7.44 4.40 0.00 2.72 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 70 Y 6.29 4.39 0.00 3.05 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