NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3065 8.2549 119.7087 56.1602 31.4158 178.6481 3 E 4.1910 8.7271 125.8662 56.3589 30.3939 173.5682 4 I 4.0066 8.0065 119.0408 60.8684 41.3430 174.2659 5 K 4.2925 7.6551 121.4258 56.7421 34.2598 175.8597 6 G 3.9405 6.6406 102.1443 46.3283 0.0000 171.5142 7 Y 4.9906 7.8507 116.4343 56.3303 42.7756 174.1679 8 E 4.9601 8.3071 119.6250 55.0092 33.3859 173.9509 9 Y 4.8621 9.2014 122.1798 56.5388 41.8082 174.1295 10 Q 5.1886 8.9326 123.5896 54.3142 30.6241 175.2072 11 L 4.8193 8.7922 123.0602 53.2096 46.6827 175.3442 12 Y 4.8539 8.7093 119.6854 56.6593 39.3785 175.1995 13 V 4.3806 8.7468 126.2951 61.1238 33.5791 174.4121 14 Y 5.5100 9.0195 126.1597 57.3566 38.6097 175.3297 15 A 4.7282 8.8074 126.4643 52.0124 22.2520 175.8546 16 S 3.8924 9.8300 119.0498 59.9075 60.6507 172.5650 17 D 4.5068 8.5526 114.1600 55.0639 38.4952 173.7027 18 K 4.6035 8.3105 119.4451 54.5589 35.1389 174.2187 19 L 4.6497 7.6918 120.9787 53.3738 44.2413 175.0014 20 F 4.9188 8.8472 123.7087 55.6250 43.4102 173.8209 21 R 4.8321 8.3499 120.0338 54.3957 32.4451 175.1312 22 A 5.0191 8.9440 125.3221 50.1294 22.5879 174.3083 23 D 5.4709 9.1163 121.6328 52.5584 44.0719 175.3450 24 I 5.2242 9.1058 124.1630 59.5883 41.4368 175.1657 25 S 5.1632 8.5965 120.2064 57.3030 66.4305 172.5006 26 E 5.1986 8.4397 119.4041 55.1173 33.5164 173.6842 27 D 4.7430 9.0178 127.5992 54.5461 42.0793 176.3259 28 Y 4.1077 8.3419 126.9415 60.8156 38.6796 177.0720 29 K 4.0983 8.4414 117.4843 58.2833 32.6624 177.8888 30 T 4.1772 7.9988 106.2982 61.1342 69.5476 175.2399 31 R 4.0140 7.9649 119.4251 56.8197 28.4914 175.8971 32 G 3.8235 7.7870 106.6735 46.3612 0.0000 173.5820 33 R 5.6864 8.5758 124.5534 53.9798 32.7387 175.9025 34 K 4.5426 8.2737 122.3483 54.4516 35.8527 174.8641 35 L 4.1313 8.7090 129.7948 55.7474 41.9614 176.2917 36 L 4.3722 8.9469 127.4831 57.2776 42.2828 177.7092 37 R 4.7361 7.7338 115.7432 55.2519 34.9478 174.4409 38 F 5.1126 8.4025 123.4881 58.7965 40.9829 172.5884 39 N 5.2539 8.9381 123.1497 50.9989 43.1986 174.1640 40 G 4.0997 8.4059 107.5598 45.4399 0.0000 170.2612 41 P 4.7644 0.0000 0.0000 62.4347 31.8590 176.0011 42 V 4.4732 7.7836 113.2933 58.9737 35.4692 173.2551 43 P 4.6482 0.0000 0.0000 60.5647 32.3578 174.6482 44 P 4.1153 0.0000 0.0000 62.0804 31.9252 174.6140 45 P 4.2998 0.0000 0.0000 63.0019 31.4608 175.8637 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 2 R 8.25 4.31 0.00 1.81 1.04 0.00 3.17 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 3 E 8.73 4.19 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 4 I 8.01 4.01 0.63 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.10 0.34 0.00 0.00 5 K 7.66 4.29 0.00 1.67 1.73 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.29 7.81 6 G 6.64 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 7 Y 7.85 4.99 0.00 2.62 2.39 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 8 E 8.31 4.96 0.00 1.85 1.70 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 2.28 2.33 0.00 9 Y 9.20 4.86 0.00 2.88 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 10 Q 8.93 5.19 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 11 L 8.79 4.82 0.00 1.56 1.49 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.71 4.85 0.00 2.76 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 13 V 8.75 4.38 2.25 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 1.11 0.00 0.00 1.02 0.00 0.00 14 Y 9.02 5.51 0.00 2.97 2.89 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 15 A 8.81 4.73 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 9.83 3.89 0.00 4.17 4.03 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 0.00 0.00 0.00 0.00 17 D 8.55 4.51 0.00 2.88 2.80 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 18 K 8.31 4.60 0.00 1.83 1.35 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.56 7.81 19 L 7.69 4.65 0.00 1.36 1.33 0.89 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.85 4.92 0.00 2.90 1.90 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 21 R 8.35 4.83 0.00 1.56 1.60 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 22 A 8.94 5.02 1.28 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 0.00 0.00 0.00 23 D 9.12 5.47 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.11 5.22 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.10 0.00 0.00 25 S 8.60 5.16 0.00 3.94 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 26 E 8.44 5.20 0.00 2.31 2.13 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 2.41 2.46 0.00 27 D 9.02 4.74 0.00 2.81 2.71 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 28 Y 8.34 4.11 0.00 2.72 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 29 K 8.44 4.10 0.00 1.82 1.83 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 30 T 8.00 4.18 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 1.22 0.00 0.00 31 R 7.96 4.01 0.00 2.04 2.10 0.00 3.18 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 32 G 7.79 3.82 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 0.00 0.00 0.00 33 R 8.58 5.69 0.00 1.75 1.93 0.00 3.24 0.00 0.00 3.86 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 34 K 8.27 4.54 0.00 1.88 1.62 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 35 L 8.71 4.13 0.00 1.68 1.59 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.95 4.37 0.00 1.80 1.73 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.73 4.74 0.00 1.74 1.79 0.00 3.31 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 38 F 8.40 5.11 0.00 3.02 2.84 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 0.00 0.00 0.00 39 N 8.94 5.25 0.00 2.65 2.66 0.00 0.00 6.82 7.59 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 40 G 8.41 4.10 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 41 P 0.00 4.76 0.00 1.95 1.82 0.00 3.31 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 42 V 7.78 4.47 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 0.70 0.00 0.00 0.98 0.00 0.00 43 P 0.00 4.65 0.00 2.00 1.93 0.00 3.68 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 1.97 2.03 0.00 44 P 0.00 4.12 0.00 2.10 1.99 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 45 P 0.00 4.30 0.00 2.04 1.82 0.00 3.35 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.94 0.00