NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4811 0.0000 0.0000 62.3531 33.6489 174.9215 2 I 4.8459 8.2826 122.6744 59.1389 39.9550 173.0508 3 A 4.8040 9.5227 129.9299 49.9902 22.2745 174.4565 4 Q 4.8945 8.6485 122.1669 54.3396 31.6786 174.3731 5 I 4.4825 8.8409 127.7738 59.8309 40.0422 174.2401 6 H 5.2443 8.8196 124.4487 54.3350 29.8062 174.3653 7 I 4.6424 8.2739 116.5482 58.5944 41.2686 174.9070 8 L 4.6261 8.3341 123.1276 54.3091 42.2410 176.9599 9 E 4.4947 8.0816 120.7725 56.6600 29.8866 176.0516 10 G 3.5989 8.8008 109.1526 45.6574 0.0000 174.6555 11 R 4.3865 7.6500 119.3548 55.4092 31.3004 176.7695 12 S 4.5303 8.2490 116.0681 57.8018 65.5550 175.2177 13 D 4.3924 8.4965 121.5947 57.3183 40.4745 178.9759 14 E 3.9230 8.0775 118.7516 59.5860 29.5299 179.0605 15 Q 4.0181 7.7429 117.9362 59.1286 28.7718 179.3224 16 K 3.9862 7.9428 118.9276 59.1290 31.9043 179.1014 17 E 3.9876 8.1215 119.9718 59.3146 29.4802 179.0219 18 T 3.9109 7.9043 116.0541 66.2614 68.5882 176.4857 19 L 3.9345 8.1088 122.4832 58.4047 42.0088 179.1641 20 I 3.7144 7.7357 119.6347 64.2118 36.9952 178.5302 21 R 3.8720 7.7287 119.5148 59.3852 30.0464 178.2745 22 E 3.9548 8.5078 118.8269 59.5999 29.5197 179.6742 23 V 3.6412 7.9100 118.1282 66.0078 31.5339 178.2732 24 S 4.1664 7.9308 114.8460 61.4066 62.5610 176.5805 25 E 3.8995 8.3599 121.1263 59.3129 29.2873 178.9138 26 A 3.9721 7.9810 120.7928 55.4108 18.4536 179.8407 27 I 3.6422 7.8150 117.9644 64.5613 37.3120 178.5657 28 S 4.1599 7.9865 113.9896 61.3457 62.0470 176.0836 29 R 3.8408 8.6450 121.5998 59.6887 29.6940 178.4765 30 S 4.1512 7.9404 113.5908 61.1866 63.0163 175.9832 31 L 4.4338 7.6659 117.6724 53.2205 42.3433 175.6705 32 D 4.3329 7.6292 117.3951 55.3114 40.1561 172.8465 33 A 4.7876 7.4958 118.7027 48.8782 21.5788 175.6749 34 P 4.2726 0.0000 0.0000 62.7074 32.0131 176.8522 35 L 3.8908 8.9443 125.0208 58.5146 41.8979 178.8058 36 T 4.0709 7.8855 106.2534 63.3876 68.7246 174.6388 37 S 4.4496 8.0326 116.4256 58.7918 63.8849 174.3367 38 V 4.1096 7.5713 122.5854 62.7177 32.1730 175.3386 39 R 4.7136 8.9323 126.3798 54.3181 33.2993 174.6380 40 V 4.8638 8.4763 122.9179 61.0624 34.5717 174.4398 41 I 4.5549 8.8369 128.1253 59.6070 40.1553 174.3317 42 I 4.7697 8.3930 127.6655 60.0480 39.2110 175.3678 43 T 4.5065 8.6978 122.6222 61.8189 71.7610 173.0286 44 E 4.8357 8.7681 126.3462 55.9312 31.5830 175.3879 45 M 4.9188 8.7059 122.5282 53.1994 35.2361 175.7090 46 A 4.5338 8.5557 125.3929 51.7124 19.3333 178.6901 47 K 4.0429 8.5567 120.3588 59.1560 32.2469 178.4237 48 G 4.0615 7.9937 105.4255 45.6470 0.0000 173.4596 49 H 4.9626 8.5959 114.8390 54.9278 29.7381 173.4514 50 F 5.0820 8.1790 122.5527 56.2935 41.4780 173.6666 51 G 4.1979 8.3840 116.4116 43.5274 0.0000 172.2384 52 I 4.1150 8.0595 122.8501 59.9837 39.7564 176.0507 53 G 3.8665 9.5927 113.7412 46.5332 0.0000 174.0251 54 G 3.9264 8.7461 105.5854 44.9338 0.0000 173.7854 55 E 4.6891 7.6765 117.8283 53.6025 33.6181 175.2471 56 L 4.2982 8.4655 121.2094 55.1288 42.2653 178.5410 57 A 4.0321 8.9643 126.4893 55.0367 18.7275 180.1172 58 S 4.1299 8.1627 109.9835 61.2478 63.1939 175.2205 59 K 4.4776 7.8457 117.8209 55.8832 31.6743 177.4672 60 V 4.4743 7.4774 114.6458 61.3310 33.3424 174.3918 61 R 4.6463 7.7440 118.6082 54.3631 34.4443 174.9734 62 R 4.0683 8.7202 118.0182 57.1952 29.8792 175.9245 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 4.48 0.00 2.09 2.03 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.28 4.85 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 1.27 0.72 0.90 0.00 0.00 3 A 9.52 4.80 1.19 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 0.00 0.00 4 Q 8.65 4.89 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.63 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 5 I 8.84 4.48 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.88 0.00 0.00 6 H 8.82 5.24 0.00 2.91 3.11 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.27 4.64 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.86 0.00 0.00 8 L 8.33 4.63 0.00 1.53 1.63 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.08 4.49 0.00 1.97 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 2.31 2.11 0.00 10 G 8.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.65 4.39 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 12 S 8.25 4.53 0.00 4.00 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 13 D 8.50 4.39 0.00 2.78 2.75 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 14 E 8.08 3.92 0.00 2.05 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 2.40 2.46 0.00 15 Q 7.74 4.02 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 7.94 3.99 0.00 1.77 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.66 7.81 17 E 8.12 3.99 0.00 2.30 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 0.00 2.30 2.34 0.00 18 T 7.90 3.91 4.40 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 1.21 0.00 0.00 19 L 8.11 3.93 0.00 1.81 1.83 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.74 3.71 2.00 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 1.39 1.31 0.90 0.00 0.00 21 R 7.73 3.87 0.00 1.93 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.51 3.95 0.00 2.01 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 0.00 2.46 2.46 0.00 23 V 7.91 3.64 2.23 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 1.02 0.00 0.00 0.92 0.00 0.00 24 S 7.93 4.17 0.00 4.11 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.90 0.00 2.09 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 2.50 2.46 0.00 26 A 7.98 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.64 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 1.40 1.17 0.91 0.00 0.00 28 S 7.99 4.16 0.00 3.90 4.09 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 29 R 8.64 3.84 0.00 2.11 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 7.94 4.15 0.00 3.93 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 31 L 7.67 4.43 0.00 1.64 1.69 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.63 4.33 0.00 2.74 2.70 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 33 A 7.50 4.79 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 34 P 0.00 4.27 0.00 2.22 2.21 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 L 8.94 3.89 0.00 1.73 1.73 0.92 0.76 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 36 T 7.89 4.07 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 37 S 8.03 4.45 0.00 3.97 4.01 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 38 V 7.57 4.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 39 R 8.93 4.71 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.48 4.86 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.84 4.55 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 1.21 0.56 0.87 0.00 0.00 42 I 8.39 4.77 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.87 0.00 0.00 43 T 8.70 4.51 3.95 0.00 0.00 0.00 0.00 0.00 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 44 E 8.77 4.84 0.00 1.91 1.84 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 2.34 2.31 0.00 45 M 8.71 4.92 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 46 A 8.56 4.53 1.09 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 0.00 0.00 47 K 8.56 4.04 0.00 1.80 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.45 7.81 48 G 7.99 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.60 4.96 0.00 3.30 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.18 5.08 0.00 2.97 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 51 G 8.38 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 0.00 0.00 0.00 52 I 8.06 4.12 1.68 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 0.91 0.28 0.83 0.00 0.00 53 G 9.59 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 0.00 0.00 0.00 54 G 8.75 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 0.00 0.00 0.00 55 E 7.68 4.69 0.00 1.96 1.74 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 2.18 2.21 0.00 56 L 8.47 4.30 0.00 1.69 1.61 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.96 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.13 0.00 4.01 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 59 K 7.85 4.48 0.00 1.79 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.53 7.81 60 V 7.48 4.47 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 0.70 0.00 0.00 0.91 0.00 0.00 61 R 7.74 4.65 0.00 1.89 1.86 0.00 3.24 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 62 R 8.72 4.07 0.00 1.78 1.87 0.00 3.44 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00