NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.3840 8.3293 118.8259 55.6712 30.6243 176.3042 13 R 4.4989 7.4533 111.8992 54.4879 31.1216 174.4480 14 P 4.0985 0.0000 0.0000 66.2805 32.6252 179.3274 15 L 3.9066 8.1463 119.3832 58.5863 41.9441 179.0026 16 D 4.6985 7.6493 112.2229 55.1547 39.7607 176.8717 17 A 4.6775 7.9975 121.4642 51.3381 20.6884 178.5467 18 L 3.7678 8.6435 118.2513 57.2008 41.9551 178.8491 19 G 3.9135 8.1970 105.4823 47.8342 0.0000 175.1769 20 N 4.3907 7.6659 117.3588 55.5956 38.8348 176.5470 21 S 4.6162 7.9935 115.0839 57.1345 63.2708 173.8409 22 L 4.1434 7.3051 122.5439 56.8691 41.6923 176.8840 23 N 4.5400 9.3883 120.4385 53.8882 36.5182 174.0564 24 S 4.9824 8.3922 113.8390 55.6524 67.6272 171.6847 25 P 4.8767 0.0000 0.0000 63.2138 32.3533 175.6799 26 V 5.0857 9.4333 117.0390 59.4792 36.4000 174.2666 27 I 4.9702 8.7211 122.4599 59.6894 40.2249 174.9371 28 I 4.7324 9.2781 128.2039 59.5197 39.7473 174.3048 29 K 4.5113 8.5345 129.7765 54.8238 33.7285 175.6580 30 L 5.0775 8.5005 126.8753 52.3517 45.1253 176.1416 31 K 4.1230 8.5455 120.5035 58.1577 32.2883 178.2226 32 G 3.8604 8.5721 110.7487 44.8561 0.0000 174.0165 33 D 4.6533 7.8958 117.9170 54.0603 39.3482 174.1879 34 R 4.2569 7.6562 121.1155 56.1265 31.3794 174.9403 35 E 5.4028 8.3956 122.7760 54.6659 33.4317 174.5403 36 F 5.2713 9.4223 118.8234 55.9259 43.5658 174.2449 37 R 5.1240 9.5960 119.4527 53.9332 34.6077 175.4132 38 G 4.0749 7.7269 107.5331 46.7140 0.0000 170.9311 39 V 4.6009 7.6120 120.7891 61.0151 32.5407 175.4554 40 L 4.4446 8.3514 130.9704 56.0642 42.2531 177.4453 41 K 4.6411 8.7694 124.4214 56.7018 34.9708 176.1081 42 S 4.8015 7.9945 111.7689 58.0320 65.4613 174.7224 43 F 5.9582 8.5272 118.0590 57.1531 40.9094 172.3276 44 D 5.0153 8.4800 119.0016 51.0601 41.9595 176.3384 45 L 4.1994 8.3204 117.8313 58.5447 40.6686 177.3295 46 H 4.4535 9.1113 116.3786 56.3766 28.9303 176.3846 47 M 3.4368 8.1836 118.0118 55.3087 30.1215 176.4238 48 N 4.9327 8.1188 117.2909 53.5171 39.9970 173.9497 49 L 5.1718 9.0117 121.9678 54.7002 44.7528 174.3269 50 V 4.9175 9.1187 120.1372 61.2277 34.1252 174.3494 51 L 5.2717 9.2440 127.1603 53.1995 45.1575 175.8253 52 N 4.9836 8.9229 120.9183 51.7876 41.2733 174.3963 53 D 4.1727 8.7340 116.5113 55.2061 38.8303 174.2910 54 A 4.6456 8.0938 119.2323 52.3844 20.2319 177.5816 55 E 4.7996 9.0199 118.3692 54.9360 34.3853 174.1127 56 E 4.0690 9.0754 126.3658 54.9757 30.9278 175.0816 57 L 5.1602 8.5166 126.8585 53.2207 45.6321 175.7063 58 E 4.5857 8.5908 119.5364 56.3225 33.2677 175.7551 59 D 4.3581 10.0352 121.5883 55.0708 38.6714 174.4063 60 G 3.8753 8.4828 105.9301 45.0278 0.0000 172.8019 61 E 4.4040 8.5150 121.5813 53.4553 30.9100 175.0596 62 V 3.7631 8.4861 126.0847 64.3044 31.5894 175.1706 63 T 4.3749 9.0012 125.2358 65.4175 69.6645 175.6096 64 R 4.5973 7.6145 117.5327 55.0910 34.9422 174.7181 65 R 4.6678 8.5635 121.5409 55.0744 30.4240 175.8118 66 L 4.2495 8.5085 125.2392 53.3887 42.9759 179.0679 67 G 3.9350 8.3307 107.2011 46.7418 0.0000 175.4920 68 T 4.9045 8.6010 123.0033 62.7689 68.8941 173.2995 69 V 4.5217 9.3280 126.1110 59.7641 35.3242 174.0176 70 L 4.9752 8.5535 124.8777 53.6024 43.6139 175.1830 71 I 4.4322 8.7199 127.5489 59.3698 40.1495 175.3938 72 R 4.3345 8.4099 125.4608 55.4180 31.0380 177.8447 73 G 3.7621 8.7907 111.3759 48.0395 0.0000 174.7710 74 D 4.3656 8.1367 118.1820 56.4413 41.2357 176.4371 75 N 4.7785 7.8795 114.2431 53.1935 39.5344 174.6400 76 I 4.2682 8.0156 120.6640 61.1477 37.9733 175.4246 77 V 4.2218 8.7645 125.8763 64.5479 31.9902 175.1935 78 Y 5.0623 7.0937 116.1444 55.8319 41.7918 172.8664 79 I 5.3224 8.4676 119.9192 59.6927 40.7591 175.0992 80 S 4.8235 8.9999 120.4421 56.1107 66.7799 173.5423 81 R 4.1260 8.6885 120.9608 55.9730 29.8606 178.1678 82 G 4.2433 8.8326 116.0618 45.5425 0.0000 173.3945 83 K 4.3048 8.5662 123.0780 56.9370 32.7983 176.2101 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 12 Q 8.33 4.38 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.29 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 13 R 7.45 4.50 0.00 2.05 2.10 0.00 2.98 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 14 P 0.00 4.10 0.00 2.20 2.13 0.00 3.62 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 2.12 2.08 0.00 15 L 8.15 3.91 0.00 1.77 1.77 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.65 4.70 0.00 2.62 2.72 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 17 A 8.00 4.68 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.64 3.77 0.00 1.52 0.60 0.04 0.86 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 19 G 8.20 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 0.00 0.00 0.00 20 N 7.67 4.39 0.00 2.69 2.91 0.00 0.00 6.99 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 21 S 7.99 4.62 0.00 3.96 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 22 L 7.31 4.14 0.00 1.94 1.73 1.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.39 4.54 0.00 2.89 3.01 0.00 0.00 6.85 7.14 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 24 S 8.39 4.98 0.00 3.78 3.70 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 25 P 0.00 4.88 0.00 2.13 2.20 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 26 V 9.43 5.09 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 0.82 0.00 0.00 1.02 0.00 0.00 27 I 8.72 4.97 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 1.05 0.00 0.00 28 I 9.28 4.73 1.94 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 1.16 1.10 0.84 0.00 0.00 29 K 8.53 4.51 0.00 0.94 0.74 0.00 1.35 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.87 1.10 7.81 30 L 8.50 5.08 0.00 1.72 1.68 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.55 4.12 0.00 1.72 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 32 G 8.57 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.90 4.65 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 4.26 0.00 1.97 1.91 0.00 3.24 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.51 0.00 35 E 8.40 5.40 0.00 2.26 1.94 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 2.09 2.17 0.00 36 F 9.42 5.27 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.60 5.12 0.00 1.74 1.78 0.00 3.26 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 7.73 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 0.00 0.00 0.00 39 V 7.61 4.60 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 0.93 0.00 0.00 0.95 0.00 0.00 40 L 8.35 4.44 0.00 1.80 1.57 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.77 4.64 0.00 1.64 1.82 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.65 7.81 42 S 7.99 4.80 0.00 3.84 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 5.96 0.00 3.16 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 44 D 8.48 5.02 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.32 4.20 0.00 1.74 1.82 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.11 4.45 0.00 3.37 3.36 0.00 5.66 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 47 M 8.18 3.44 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 48 N 8.12 4.93 0.00 2.91 2.75 0.00 0.00 6.57 6.74 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 49 L 9.01 5.17 0.00 1.87 1.81 0.89 0.88 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 50 V 9.12 4.92 2.11 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 1.05 0.00 0.00 0.94 0.00 0.00 51 L 9.24 5.27 0.00 1.57 1.54 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.92 4.98 0.00 2.70 2.73 0.00 0.00 6.76 7.94 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 53 D 8.73 4.17 0.00 2.79 2.72 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 54 A 8.09 4.65 1.39 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 0.00 0.00 55 E 9.02 4.80 0.00 1.88 1.77 0.00 0.00 0.00 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 2.41 0.00 56 E 9.08 4.07 0.00 1.75 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.47 0.00 57 L 8.52 5.16 0.00 1.50 1.45 0.86 0.64 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 58 E 8.59 4.59 0.00 1.92 1.75 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 2.18 2.21 0.00 59 D 10.04 4.36 0.00 2.78 2.74 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 60 G 8.48 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 4.40 0.00 1.96 1.92 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 2.18 2.22 0.00 62 V 8.49 3.76 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 0.83 0.00 0.00 0.99 0.00 0.00 63 T 9.00 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 1.21 0.00 0.00 64 R 7.61 4.60 0.00 1.69 1.76 0.00 3.09 0.00 0.00 3.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 65 R 8.56 4.67 0.00 1.68 1.89 0.00 3.36 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 66 L 8.51 4.25 0.00 1.57 1.78 1.22 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.33 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 0.00 0.00 0.00 68 T 8.60 4.90 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 1.29 0.00 0.00 69 V 9.33 4.52 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 0.76 0.00 0.00 0.89 0.00 0.00 70 L 8.55 4.98 0.00 1.62 1.57 0.96 0.98 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 71 I 8.72 4.43 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.38 0.64 0.00 0.00 72 R 8.41 4.33 0.00 1.83 1.82 0.00 3.11 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 73 G 8.79 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 74 D 8.14 4.37 0.00 2.61 2.72 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 75 N 7.88 4.78 0.00 2.73 2.78 0.00 0.00 6.85 8.44 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 76 I 8.02 4.27 1.94 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 1.10 0.64 0.94 0.00 0.00 77 V 8.76 4.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 78 Y 7.09 5.06 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.47 5.32 1.87 0.00 0.00 0.78 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 0.67 0.94 0.00 0.00 80 S 9.00 4.82 0.00 3.86 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 81 R 8.69 4.13 0.00 1.72 1.94 0.00 3.20 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 82 G 8.83 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 0.00 0.00 0.00 0.00 83 K 8.57 4.30 0.00 1.83 1.75 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.39 7.81