NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6446 8.2076 120.5275 54.6319 43.3743 177.4707 2 Y 4.0260 8.1238 117.6263 59.6334 37.6537 176.9390 3 L 3.7303 7.2967 121.5252 57.5812 42.2103 180.5053 4 R 3.8756 7.7987 117.4519 59.4030 29.9561 178.8356 5 E 3.9863 8.2343 118.3386 59.3657 29.4588 179.3800 6 L 4.0487 7.8537 118.6794 57.4864 41.6039 179.1868 7 L 3.9517 8.1052 120.4644 58.2385 41.9808 179.2420 8 K 3.9708 8.2322 118.3779 59.5077 31.9794 179.3189 9 L 4.0126 8.0589 119.2410 57.7931 41.3869 179.4944 10 E 4.0451 8.2311 118.6929 59.2977 29.3954 179.2246 11 L 3.9784 8.1409 119.2105 57.8455 41.6752 179.3953 12 Q 3.9395 8.3854 119.3812 59.1361 29.0276 178.1897 13 A 4.0165 8.1288 121.8492 55.1292 18.4302 179.6117 14 I 3.7693 8.1610 118.7328 64.3469 37.1590 178.5014 15 K 3.9300 8.0682 120.3826 59.7389 32.0011 178.9112 16 Q 3.9363 7.9848 118.2119 59.2044 28.5222 178.4179 17 Y 4.0366 8.4878 118.1552 61.0523 37.8845 178.6019 18 R 4.0056 8.3189 119.1399 59.2650 30.0131 178.9949 19 E 3.9923 8.3173 118.2875 59.2975 29.4002 179.2438 20 A 4.0930 8.2320 121.0731 54.9947 18.3969 179.3423 21 L 3.9155 8.3798 119.3033 58.4399 41.9727 178.8811 22 E 3.9356 8.1205 117.8816 58.7874 29.5107 177.3933 23 Y 4.5890 7.5273 118.4278 59.1383 40.0500 176.9724 24 V 3.8067 8.0775 111.0329 59.6785 32.5827 176.1174 25 K 4.0295 8.0573 116.9874 56.9092 30.5714 174.8347 26 L 4.2277 7.3139 117.3470 53.7418 42.5708 176.3291 27 P 4.2341 0.0000 0.0000 66.0032 31.3361 179.0679 28 V 3.6624 7.7965 116.9439 64.7542 31.0697 178.2563 29 L 4.0024 8.0737 119.5909 57.4502 41.3718 179.1830 30 A 3.9306 8.0102 121.0258 54.7066 18.3434 179.5331 31 K 3.7732 7.9121 117.7733 59.6655 32.3164 178.8751 32 I 3.4390 7.4167 119.8145 64.1586 36.9817 177.9444 33 L 3.7177 7.6919 121.2600 58.2447 41.9667 178.4949 34 E 3.9755 8.1513 119.0199 59.4875 29.3627 178.6444 35 D 4.0569 7.7015 118.1799 57.3741 40.8413 178.6679 36 E 3.7104 8.0042 119.0420 59.2924 29.4027 179.2585 37 E 3.8643 8.1027 118.6984 59.0506 29.4060 179.3275 38 K 3.5235 7.4636 119.3437 59.5016 32.0654 178.5236 39 H 3.9792 7.7133 116.6578 58.8421 28.5844 177.6770 40 I 3.6871 7.7590 121.4928 64.5904 36.9449 178.2465 41 E 4.0214 7.9782 119.1847 59.2415 29.2522 179.6101 42 W 4.4407 8.2664 118.9164 59.9268 29.1500 178.6649 43 L 4.0769 8.4221 119.2456 57.8503 40.8340 179.3360 44 E 3.9883 8.4683 118.0136 59.6245 29.4316 179.2333 45 T 4.0421 7.9347 114.8470 66.9511 68.6924 176.1545 46 I 3.8271 7.5079 120.0382 65.6068 37.5462 177.0317 47 L 4.5389 7.9055 118.6535 53.4521 45.1038 177.1804 48 G 3.8779 8.6927 108.4093 46.9162 0.0000 173.3276 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 D 8.21 4.64 0.00 2.84 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 2 Y 8.12 4.03 0.00 3.38 3.23 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 3 L 7.30 3.73 0.00 1.30 1.53 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.80 3.88 0.00 1.95 1.96 0.00 3.11 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 8.23 3.99 0.00 2.18 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 0.00 2.61 2.53 0.00 6 L 7.85 4.05 0.00 1.86 1.75 1.01 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.11 3.95 0.00 1.74 1.84 0.93 0.59 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 8 K 8.23 3.97 0.00 1.97 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.63 7.81 9 L 8.06 4.01 0.00 1.90 1.75 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.23 4.05 0.00 2.18 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 0.00 2.58 2.53 0.00 11 L 8.14 3.98 0.00 1.86 1.72 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.39 3.94 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 13 A 8.13 4.02 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 3.77 2.02 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 1.41 0.87 0.93 0.00 0.00 15 K 8.07 3.93 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 16 Q 7.98 3.94 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 17 Y 8.49 4.04 0.00 3.17 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 18 R 8.32 4.01 0.00 2.11 2.01 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 19 E 8.32 3.99 0.00 2.19 2.00 0.00 0.00 0.00 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 2.42 0.00 20 A 8.23 4.09 1.41 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 0.00 0.00 21 L 8.38 3.92 0.00 2.00 1.83 0.93 0.81 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 22 E 8.12 3.94 0.00 2.33 2.14 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 2.36 2.35 0.00 23 Y 7.53 4.59 0.00 2.88 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 24 V 8.08 3.81 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 0.49 0.00 0.00 1.01 0.00 0.00 25 K 8.06 4.03 0.00 1.76 1.81 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.54 7.81 26 L 7.31 4.23 0.00 1.83 1.58 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.23 0.00 2.13 2.11 0.00 3.59 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 28 V 7.80 3.66 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 0.83 0.00 0.00 0.91 0.00 0.00 29 L 8.07 4.00 0.00 1.90 1.86 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.01 3.93 1.34 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 0.00 0.00 31 K 7.91 3.77 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.43 7.81 32 I 7.42 3.44 1.36 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 1.24 0.46 -0.00 0.00 0.00 33 L 7.69 3.72 0.00 1.73 1.78 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.15 3.98 0.00 1.99 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 0.00 2.20 2.28 0.00 35 D 7.70 4.06 0.00 2.75 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 36 E 8.00 3.71 0.00 1.89 2.08 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 2.35 2.46 0.00 37 E 8.10 3.86 0.00 2.06 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 2.27 2.38 0.00 38 K 7.46 3.52 0.00 1.47 1.47 0.00 1.58 0.00 0.00 1.41 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.72 7.81 39 H 7.71 3.98 0.00 3.36 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.76 3.69 2.01 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 1.59 0.88 0.93 0.00 0.00 41 E 7.98 4.02 0.00 2.10 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 0.00 2.31 2.49 0.00 42 W 8.27 4.44 0.00 3.55 3.14 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 43 L 8.42 4.08 0.00 1.84 1.73 0.96 1.24 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 44 E 8.47 3.99 0.00 2.18 2.04 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 2.36 2.49 0.00 45 T 7.93 4.04 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 46 I 7.51 3.83 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.90 0.00 0.00 47 L 7.91 4.54 0.00 1.66 1.62 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.69 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