NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4598 8.3349 115.3041 57.7358 63.7068 173.3116 8 D 4.5767 8.6590 127.5068 53.4521 42.0108 174.7368 9 F 5.2788 8.4864 115.5675 55.6249 41.9492 173.4773 10 V 4.3727 8.9056 112.7043 59.5229 35.0978 174.9730 11 V 4.6185 8.5534 125.1619 61.8270 33.0969 174.5620 12 I 4.9499 9.2737 129.1390 59.3468 40.5666 174.3039 13 K 5.1057 8.9581 128.4756 54.2270 34.6966 175.0413 14 A 4.4437 9.1346 130.5393 52.0257 19.3846 177.3594 15 L 4.9007 8.2463 120.9904 54.0317 42.6134 175.8548 16 E 4.6823 7.5867 115.2084 55.7183 31.6480 174.7979 17 D 4.6084 8.5410 119.5546 55.1626 41.6513 176.5671 18 G 3.8039 8.0142 109.6998 46.3350 0.0000 173.8373 19 V 4.0170 7.8186 119.5038 62.3046 33.1374 174.3409 20 N 5.3013 8.6619 123.9417 51.5084 41.5946 173.8539 21 V 4.5093 8.4864 124.2615 61.7182 32.8211 174.1806 22 I 4.6048 8.7953 130.3781 59.6501 39.1633 175.2686 23 G 4.1395 8.4705 114.9041 45.2128 0.0000 172.3180 24 L 5.4481 8.7151 126.2944 53.0066 43.8383 176.4796 25 T 5.1462 8.5843 114.5101 61.3136 69.6172 174.0623 26 R 4.4400 7.9255 124.6711 55.2964 29.5908 176.3342 27 G 4.0022 8.9051 111.7742 43.3893 0.0000 173.3894 28 A 4.1879 8.3640 122.3551 54.3060 18.4722 177.5659 29 D 4.9916 7.2640 113.9039 52.9159 43.1513 175.9493 30 T 4.7882 8.0962 117.5470 62.0851 71.3933 173.4596 31 R 4.5610 8.5026 121.5534 54.7244 33.2917 174.4118 32 F 5.2416 8.6838 120.1755 58.4241 38.9453 174.7504 33 H 5.0338 8.5417 117.3783 55.8472 30.6385 173.5398 34 H 4.7367 7.7352 116.7941 55.3397 33.2297 172.1986 35 S 4.8439 8.4080 121.0910 56.6153 65.3973 172.9080 36 E 4.3389 8.6809 126.8206 54.8391 30.7637 175.3345 37 K 4.7134 8.6193 126.9857 56.2758 33.2172 176.3905 38 L 4.9503 9.3988 124.2262 53.1281 45.5316 175.6638 39 D 5.1071 10.6100 121.9006 51.7574 44.3240 175.5055 40 K 3.8399 8.3142 120.6595 59.4590 31.9861 176.7383 41 G 4.0231 8.8990 115.6141 44.9278 0.0000 172.8608 42 E 4.3849 8.3108 120.1195 55.7248 31.1726 175.6261 43 V 4.8897 8.3173 122.7454 61.0476 33.9354 174.1493 44 L 4.6926 9.0714 130.3667 53.2961 44.5436 174.8922 45 I 4.9257 8.5120 126.6317 59.6950 39.0225 174.5574 46 A 4.7911 9.0406 129.2310 50.0629 22.1885 175.1983 47 Q 4.8414 8.5345 119.4347 54.7390 30.7924 175.5119 48 F 4.7398 8.4089 120.3368 57.8841 38.5852 175.7557 49 T 4.6730 8.9133 111.4962 60.7167 71.3797 173.9785 50 E 4.2157 8.9852 119.2691 59.4842 29.7827 177.4709 51 H 4.6836 7.8797 114.1449 55.7367 30.3947 173.9273 52 T 5.6286 9.3059 117.9561 60.8709 71.0079 174.5105 53 S 4.9741 9.0430 119.2171 57.9699 64.9902 173.1867 54 A 5.0603 7.9482 121.5674 50.9684 22.7095 175.1354 55 I 4.9176 8.5965 120.9697 59.3395 40.3571 174.7690 56 K 4.5395 9.1402 128.6860 54.4705 34.8040 174.6191 57 V 4.7008 8.3987 127.0792 61.4173 33.2746 174.6342 58 R 4.4605 9.3093 127.8857 55.7981 32.3055 177.3348 59 G 4.4232 8.8495 109.2205 44.1435 0.0000 172.4771 60 K 4.8129 9.0451 117.8390 55.8278 32.8076 176.8437 61 A 5.0798 8.6996 125.9290 50.6834 23.6711 174.0184 62 Y 4.6356 8.9249 120.8324 56.1595 40.8568 174.4381 63 I 4.9574 8.5518 128.5368 59.6559 40.0606 174.8045 64 Q 5.0309 9.0701 125.8604 54.4028 31.8047 174.9318 65 T 4.6744 8.4020 113.7513 59.5917 72.0836 174.5054 66 R 3.7700 8.4754 120.2116 59.8124 30.0366 176.9265 67 H 4.6421 7.7379 112.8963 55.5836 29.0413 173.6573 68 G 3.7084 7.6606 106.2894 43.9686 0.0000 172.8208 69 V 4.4250 8.0010 118.4374 61.9843 33.0038 176.2497 70 I 4.5427 8.2302 125.6867 59.7004 41.9459 172.9160 71 E 5.1775 8.6048 127.8249 54.5838 31.4458 175.9205 72 S 4.4753 8.7021 119.8425 58.0356 64.7915 174.3326 73 E 4.6827 8.5819 118.8000 55.8359 31.8414 175.9927 74 G 3.8861 8.2047 107.6812 46.2906 0.0000 173.4365 75 K 4.3491 8.4591 121.0549 56.7665 32.9890 177.6190 76 K 4.2297 8.6887 121.5844 56.9072 31.5588 176.0563 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 7 S 8.33 4.46 0.00 3.91 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 8 D 8.66 4.58 0.00 2.87 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 9 F 8.49 5.28 0.00 2.98 2.98 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 10 V 8.91 4.37 2.01 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 0.54 0.00 0.00 0.80 0.00 0.00 11 V 8.55 4.62 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 1.15 0.00 0.00 1.17 0.00 0.00 12 I 9.27 4.95 1.87 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 1.09 0.58 0.91 0.00 0.00 13 K 8.96 5.11 0.00 1.87 1.90 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 9.13 4.44 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 15 L 8.25 4.90 0.00 1.71 1.70 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.59 4.68 0.00 2.01 1.88 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 2.30 2.25 0.00 17 D 8.54 4.61 0.00 2.69 2.63 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 0.00 0.00 0.00 18 G 8.01 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.82 4.02 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 0.99 0.00 0.00 1.04 0.00 0.00 20 N 8.66 5.30 0.00 2.62 2.57 0.00 0.00 6.42 6.96 0.00 0.00 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 V 8.49 4.51 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 22 I 8.80 4.60 1.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.19 -0.12 0.00 0.00 23 G 8.47 4.14 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 0.00 0.00 0.00 24 L 8.72 5.45 0.00 1.88 1.70 1.03 0.53 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 25 T 8.58 5.15 4.31 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 1.39 0.00 0.00 26 R 7.93 4.44 0.00 1.88 1.96 0.00 3.16 0.00 0.00 3.33 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 27 G 8.91 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 28 A 8.36 4.19 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 29 D 7.26 4.99 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.10 4.79 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 1.26 0.00 0.00 31 R 8.50 4.56 0.00 1.74 1.93 0.00 2.80 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 32 F 8.68 5.24 0.00 2.91 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.54 5.03 0.00 3.13 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.74 4.74 0.00 3.30 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.41 4.84 0.00 3.63 3.67 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 36 E 8.68 4.34 0.00 2.10 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 2.25 2.31 0.00 37 K 8.62 4.71 0.00 1.67 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 L 9.40 4.95 0.00 1.50 1.50 0.99 1.15 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 39 D 10.61 5.11 0.00 2.58 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 40 K 8.31 3.84 0.00 1.71 1.77 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 8.90 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 0.00 0.00 0.00 42 E 8.31 4.38 0.00 1.95 1.86 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 2.30 2.46 0.00 43 V 8.32 4.89 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 0.79 0.00 0.00 0.95 0.00 0.00 44 L 9.07 4.69 0.00 1.74 1.47 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.51 4.93 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.73 0.00 0.00 46 A 9.04 4.79 1.13 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 0.00 0.00 47 Q 8.53 4.84 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.75 2.44 0.00 48 F 8.41 4.74 0.00 3.07 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 49 T 8.91 4.67 4.31 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 1.27 0.00 0.00 50 E 8.99 4.22 0.00 1.92 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 2.32 2.41 0.00 51 H 7.88 4.68 0.00 3.29 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 9.31 5.63 4.37 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 1.42 0.00 0.00 53 S 9.04 4.97 0.00 3.82 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 54 A 7.95 5.06 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 55 I 8.60 4.92 1.88 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.85 0.00 0.00 56 K 9.14 4.54 0.00 1.73 1.46 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.35 7.81 57 V 8.40 4.70 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 0.88 0.00 0.00 0.90 0.00 0.00 58 R 9.31 4.46 0.00 1.70 1.79 0.00 3.14 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 59 G 8.85 4.42 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 0.00 60 K 9.05 4.81 0.00 1.76 1.78 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.25 7.81 61 A 8.70 5.08 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 62 Y 8.92 4.64 0.00 3.10 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 63 I 8.55 4.96 1.86 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 1.19 0.61 0.89 0.00 0.00 64 Q 9.07 5.03 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 65 T 8.40 4.67 4.11 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.48 3.77 0.00 1.58 1.73 0.00 3.17 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 H 7.74 4.64 0.00 3.18 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.66 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.00 4.43 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 0.48 0.00 0.00 0.89 0.00 0.00 70 I 8.23 4.54 1.80 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 1.19 0.56 0.84 0.00 0.00 71 E 8.60 5.18 0.00 1.88 1.88 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 2.33 2.34 0.00 72 S 8.70 4.48 0.00 4.00 3.97 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 73 E 8.58 4.68 0.00 1.82 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 2.21 2.29 0.00 74 G 8.20 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 0.00 0.00 0.00 75 K 8.46 4.35 0.00 1.77 1.76 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.46 7.81 76 K 8.69 4.23 0.00 1.94 1.89 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.42 7.81