NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4082 8.2644 123.5794 52.8272 18.6687 176.6237 2 S 4.2426 8.5368 115.4448 58.3524 62.7852 172.1218 3 C 3.4359 8.4100 120.4956 55.6743 38.0417 173.7733 4 W 4.0352 7.2596 125.0247 58.6915 28.6137 178.5471 5 A 4.0831 6.5739 121.0637 54.5403 17.3953 178.9585 6 Q 3.9347 7.5081 115.8125 59.7224 28.0693 178.9340 7 S 4.1156 7.6938 113.4815 61.6267 62.3893 175.8996 8 Q 4.4920 8.2109 118.7635 57.2599 29.0351 176.0410 9 G 4.1675 7.5395 109.1814 46.3093 0.0000 173.3038 10 Y 4.6046 8.0947 116.2349 55.8121 40.9857 176.9244 11 N 4.8477 8.0238 121.1520 53.6636 41.3004 173.4910 12 C 4.8624 8.2788 119.2182 56.3849 44.4138 174.8986 13 C 4.5336 8.1002 121.7663 56.6692 40.5296 173.4689 14 N 4.8322 8.7015 120.8450 53.5828 38.7731 173.2898 15 N 4.1779 9.1474 122.6737 52.9487 35.7423 171.9685 16 P 4.3959 0.0000 0.0000 65.2131 32.0489 178.5690 17 S 4.7085 8.1055 110.9829 58.6686 62.6929 175.0487 18 S 4.5435 8.0444 112.6163 59.8775 65.1876 174.3909 19 T 4.4016 7.7444 118.1082 61.0425 68.7528 173.3265 20 K 3.7690 8.7306 125.0693 56.5326 32.3388 177.2227 21 V 4.6180 8.4550 123.7533 62.9989 31.8238 175.0714 22 E 4.7543 9.2883 125.8082 56.7919 31.6652 175.2656 23 Y 4.5872 8.0322 120.2448 56.4572 41.8343 174.6830 24 T 4.4253 6.3458 113.2510 63.7228 71.9327 172.3205 25 D 4.2821 8.3208 127.1903 53.3393 44.5788 175.8367 26 A 3.9924 8.4416 121.7326 54.8355 18.2797 178.4573 27 S 4.1389 7.8081 110.8587 58.1954 64.4983 174.0609 28 G 3.4390 7.7867 108.3506 43.7284 0.0000 175.5914 29 Q 5.1472 8.6113 122.0510 53.8205 33.1025 173.0712 30 W 5.3215 9.1617 120.9194 55.1160 33.2327 174.2008 31 G 4.7387 9.1288 105.7454 45.1797 0.0000 171.8375 32 V 4.5153 8.5056 121.4816 60.9196 33.5979 175.2442 33 Q 4.3857 8.3947 125.7002 55.9306 32.8906 174.9901 34 N 4.0455 9.6032 118.1567 53.6281 36.2429 174.6113 35 G 3.7638 8.2648 105.2106 45.8158 0.0000 173.4247 36 Q 4.4859 7.6164 116.4429 53.3283 31.1359 174.3886 37 W 5.0572 8.5932 120.7394 56.9879 30.4439 174.0606 38 C 5.2830 9.5707 117.3860 53.5284 45.9915 173.1799 39 G 2.5865 8.3598 109.2478 45.2681 0.0000 172.5699 40 I 4.3884 7.4166 127.5096 60.1662 37.4053 175.1279 41 D 5.1233 8.1857 126.0847 52.4257 43.8692 176.0796 42 Y 4.3833 8.8025 123.3553 60.6908 38.1990 176.9262 43 S 4.4894 7.8813 111.0693 59.5045 63.4972 173.8827 44 Y 4.2573 7.7721 122.1842 58.1602 39.1358 175.5777 45 G 3.1008 6.5472 108.7538 45.5004 0.0000 173.4692 46 Q 4.0751 7.4922 125.4866 55.7137 29.1306 175.1706 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 A 8.26 4.41 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 2 S 8.54 4.24 0.00 3.97 3.94 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 3 C 8.41 3.44 0.00 2.83 2.83 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 4 W 7.26 4.04 0.00 3.51 3.29 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 5 A 6.57 4.08 0.31 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 6 Q 7.51 3.93 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 7 S 7.69 4.12 0.00 4.20 4.08 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 0.00 0.00 0.00 0.00 8 Q 8.21 4.49 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 9 G 7.54 4.17 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 0.00 10 Y 8.09 4.60 0.00 2.99 3.20 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 0.00 0.00 0.00 0.00 11 N 8.02 4.85 0.00 2.71 2.65 0.00 0.00 7.25 7.47 0.00 0.00 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 C 8.28 4.86 0.00 2.25 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 0.00 0.00 0.00 13 C 8.10 4.53 0.00 2.75 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 14 N 8.70 4.83 0.00 2.78 2.85 0.00 0.00 7.37 8.05 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 15 N 9.15 4.18 0.00 2.92 2.91 0.00 0.00 7.15 8.04 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 16 P 0.00 4.40 0.00 1.95 2.26 0.00 3.79 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 17 S 8.11 4.71 0.00 4.12 4.20 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 0.00 0.00 0.00 0.00 18 S 8.04 4.54 0.00 3.90 3.87 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 19 T 7.74 4.40 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 K 8.73 3.77 0.00 1.79 2.04 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 21 V 8.46 4.62 2.19 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 1.25 0.00 0.00 1.12 0.00 0.00 22 E 9.29 4.75 0.00 2.36 2.17 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 2.58 2.32 0.00 23 Y 8.03 4.59 0.00 1.43 2.27 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 24 T 6.35 4.43 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 1.21 0.00 0.00 25 D 8.32 4.28 0.00 2.51 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 3.99 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 27 S 7.81 4.14 0.00 4.36 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 28 G 7.79 3.44 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 0.00 29 Q 8.61 5.15 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 30 W 9.16 5.32 0.00 3.08 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 31 G 9.13 4.74 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 0.00 0.00 0.00 32 V 8.51 4.52 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 0.44 0.00 0.00 -0.68 0.00 0.00 33 Q 8.39 4.39 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 5.79 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 34 N 9.60 4.05 0.00 2.85 2.91 0.00 0.00 7.13 7.64 0.00 0.00 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 8.26 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 0.00 0.00 0.00 36 Q 7.62 4.49 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 37 W 8.59 5.06 0.00 3.51 3.34 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 38 C 9.57 5.28 0.00 2.98 3.18 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 39 G 8.36 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.42 4.39 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.78 0.00 0.00 41 D 8.19 5.12 0.00 2.39 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 42 Y 8.80 4.38 0.00 3.18 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 43 S 7.88 4.49 0.00 4.25 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 44 Y 7.77 4.26 0.00 3.01 2.99 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 45 G 6.55 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.49 4.08 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00