NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8254 8.1976 109.7369 41.2931 0.0000 173.9737 4 I 3.2079 7.8499 110.2633 59.5829 38.3131 172.9976 5 R 5.2248 8.3910 122.6232 54.2329 28.8002 177.4628 6 E 4.0500 8.0804 119.0834 57.0491 31.3936 180.0971 7 K 4.5400 8.4641 120.9881 57.8508 33.7574 175.7621 8 I 4.2136 7.7536 117.7268 60.9846 42.0184 173.4621 9 K 5.1497 8.9474 126.9725 55.3814 35.0412 176.0292 10 L 5.5065 8.7697 123.9452 52.3320 42.3823 176.1218 11 V 4.2393 8.3254 123.8393 62.8481 33.2644 174.1758 12 S 4.2470 8.2300 120.4128 56.9349 62.3761 174.0385 13 S 4.2836 8.4712 122.7461 61.4137 62.7155 175.5246 14 A 4.0805 7.7689 123.1397 51.4099 18.6649 178.3488 15 G 3.8286 8.7245 110.0876 48.5877 0.0000 174.2344 16 T 3.8557 7.2266 112.8242 62.6819 67.6146 173.3452 17 G 3.9956 8.5250 115.5536 46.1495 0.0000 173.2042 18 H 4.7928 7.9783 120.6518 56.1172 31.1588 173.9176 19 F 5.0068 7.5359 115.3867 56.8026 40.3871 172.2171 20 Y 4.3641 8.4151 117.8019 56.6995 41.2410 174.5263 21 T 5.0914 8.1560 113.7773 61.5259 70.4733 172.5185 22 T 4.6118 9.1802 122.4183 61.7684 71.6295 171.9933 23 T 4.9740 8.3261 114.6703 60.5594 71.3958 173.3379 24 K 4.5105 9.1960 122.4255 54.9415 36.4199 174.9406 25 N 5.3025 8.1032 120.6363 50.5223 37.8062 174.8583 26 K 3.8103 7.9695 122.8974 59.6116 32.9251 178.2446 27 R 4.0590 7.5149 116.9596 58.7931 29.9807 177.1674 28 T 4.6243 8.5497 104.0332 60.8812 70.5770 174.0138 29 K 5.4236 7.4587 119.2191 53.7581 32.3119 175.3560 30 P 4.4529 0.0000 0.0000 63.5840 32.1489 176.7266 31 E 4.2756 7.9406 118.8691 54.7837 30.1753 175.8471 32 K 4.4542 8.6814 123.8323 56.5560 32.5314 176.6033 33 L 4.2585 8.5961 128.5005 55.2607 42.6902 176.0363 34 E 5.6617 8.7956 123.7229 54.3870 33.2191 175.0195 35 L 4.4645 8.9763 119.0240 55.1512 45.5194 171.3425 36 K 4.3159 8.8242 127.7583 56.1386 32.6500 174.8360 37 K 4.5814 9.2246 121.8016 55.8269 36.6421 173.8597 38 F 4.9156 8.9177 123.0835 58.0875 40.7549 176.2650 39 D 4.6709 7.4840 125.3556 50.8342 41.0852 174.3633 40 P 3.8713 0.0000 0.0000 65.4038 31.8071 178.3461 41 V 3.6035 7.6639 116.1790 65.8418 31.3980 176.7910 42 V 3.8700 8.7595 116.6055 62.1998 32.0478 175.3746 43 R 3.6305 7.7099 117.6540 56.9445 28.3092 176.6023 44 Q 4.8063 7.0230 112.6364 55.1052 33.8941 175.2049 45 H 4.7655 9.5409 122.0205 56.8483 29.3461 174.9350 46 V 4.6048 9.1391 122.0918 59.8466 35.8467 174.1971 47 I 4.1709 8.2732 121.6979 61.6481 38.4278 174.7269 48 Y 4.9713 8.8628 124.0976 56.4027 40.7506 174.9059 49 K 5.1081 8.6859 126.7797 55.3617 36.0344 170.2977 50 E 3.6599 9.0417 128.2748 56.7437 28.9171 174.1773 51 A 4.6627 8.6689 128.7968 53.7523 20.1483 176.1445 52 K 4.8643 7.8507 120.2636 56.1205 31.8520 174.9517 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 3 G 8.20 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 0.00 0.00 0.00 4 I 7.85 3.21 1.87 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 1.43 1.39 0.91 0.00 0.00 5 R 8.39 5.22 0.00 1.69 1.93 0.00 3.32 0.00 0.00 3.08 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 6 E 8.08 4.05 0.00 1.97 1.91 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 2.42 2.44 0.00 7 K 8.46 4.54 0.00 1.67 1.82 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 8 I 7.75 4.21 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.63 1.01 0.00 0.00 9 K 8.95 5.15 0.00 2.09 1.93 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.34 7.81 10 L 8.77 5.51 0.00 1.79 1.85 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.24 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 0.95 0.00 0.00 0.96 0.00 0.00 12 S 8.23 4.25 0.00 3.91 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 13 S 8.47 4.28 0.00 3.85 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 14 A 7.77 4.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 0.00 0.00 0.00 16 T 7.23 3.86 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 1.36 0.00 0.00 17 G 8.53 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 0.00 0.00 0.00 18 H 7.98 4.79 0.00 3.18 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.54 5.01 0.00 3.15 2.92 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 20 Y 8.42 4.36 0.00 2.69 2.73 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 21 T 8.16 5.09 4.24 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 1.16 0.00 0.00 22 T 9.18 4.61 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 1.21 0.00 0.00 23 T 8.33 4.97 4.52 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 0.00 0.00 0.00 1.26 0.00 0.00 24 K 9.20 4.51 0.00 1.77 1.64 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 N 8.10 5.30 0.00 2.73 2.67 0.00 0.00 7.27 6.75 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 26 K 7.97 3.81 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.57 7.81 27 R 7.51 4.06 0.00 2.03 2.00 0.00 3.32 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 28 T 8.55 4.62 4.24 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 1.21 0.00 0.00 29 K 7.46 5.42 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.48 7.81 30 P 0.00 4.45 0.00 2.04 2.10 0.00 3.67 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 2.03 2.24 0.00 31 E 7.94 4.28 0.00 2.08 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 2.27 2.42 0.00 32 K 8.68 4.45 0.00 1.66 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 33 L 8.60 4.26 0.00 1.65 1.59 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.80 5.66 0.00 1.86 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 2.24 2.24 0.00 35 L 8.98 4.46 0.00 1.61 1.73 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.82 4.32 0.00 2.02 1.99 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.50 7.81 37 K 9.22 4.58 0.00 1.56 1.52 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.32 7.81 38 F 8.92 4.92 0.00 2.81 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 39 D 7.48 4.67 0.00 2.76 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.87 0.00 1.93 2.12 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 41 V 7.66 3.60 2.21 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 0.73 0.00 0.00 0.93 0.00 0.00 42 V 8.76 3.87 1.98 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 0.80 0.00 0.00 0.91 0.00 0.00 43 R 7.71 3.63 0.00 1.96 2.12 0.00 3.41 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 44 Q 7.02 4.81 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 45 H 9.54 4.77 0.00 3.11 3.41 0.00 5.86 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 46 V 9.14 4.60 2.02 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 0.49 0.00 0.00 0.86 0.00 0.00 47 I 8.27 4.17 1.84 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 1.35 0.49 0.94 0.00 0.00 48 Y 8.86 4.97 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 5.11 0.00 1.90 1.72 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.43 7.81 50 E 9.04 3.66 0.00 2.16 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 0.00 2.20 2.58 0.00 51 A 8.67 4.66 1.31 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 0.00 0.00 52 K 7.85 4.86 0.00 1.85 2.08 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81