NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1852 8.2549 119.6876 54.8979 31.7443 175.0497 2 P 4.0265 0.0000 0.0000 62.1581 31.8098 176.3934 3 D 4.4131 8.3798 121.6811 56.9115 41.7747 178.5532 4 F 4.3545 7.8665 114.7256 59.5893 37.6396 177.7060 5 C 4.7156 7.5654 116.3612 59.0107 40.0440 174.6265 6 L 4.3660 7.7864 118.9332 53.9320 42.0911 176.4041 7 E 4.3317 7.5041 119.4545 54.7087 30.2965 174.9655 8 P 4.3977 0.0000 0.0000 61.4860 32.1087 174.3362 9 P 3.5436 0.0000 0.0000 62.7001 31.3124 175.2388 10 Y 4.6433 7.8312 121.3867 56.0825 40.3228 175.3851 11 T 4.1508 8.2833 125.3728 65.1066 68.8487 176.0348 12 G 3.6971 6.7986 105.1459 44.0442 0.0000 171.1382 13 P 4.3617 0.0000 0.0000 64.4867 31.9666 177.6649 14 C 4.5020 7.8609 116.6757 57.1056 40.7023 173.1272 15 E 4.5697 8.3294 119.3054 56.2929 29.4182 176.3484 16 A 4.2801 7.6762 121.7611 51.0757 20.7698 177.8551 17 R 4.7423 7.9673 116.9792 54.5997 29.3816 173.1893 18 I 4.3786 8.2887 122.2651 59.2330 39.6585 175.6060 19 I 4.1781 8.2931 128.5399 61.3324 37.6831 175.4686 20 R 4.8752 8.4356 124.8575 54.7527 35.1579 173.4128 21 Y 5.5896 9.4721 117.6891 56.5210 41.2756 175.3318 22 F 5.7631 9.5414 117.1300 55.3946 42.1145 172.8544 23 Y 4.4804 10.0791 122.5696 57.2059 40.2043 173.7106 24 N 4.9043 8.1446 126.2665 51.5893 39.2927 174.9333 25 A 3.8185 8.4568 130.0827 54.8419 18.8536 178.9260 26 K 4.0455 8.0679 114.5752 58.7784 32.2016 177.8831 27 A 4.2836 7.9719 119.6438 51.6085 20.0566 177.8012 28 G 4.0113 8.4956 103.3957 45.1984 0.0000 172.6062 29 L 4.9449 6.9081 117.9726 52.8869 46.7638 175.6622 30 C 5.0076 8.6803 117.4077 56.3113 39.8767 173.4137 31 Q 4.8898 8.5680 121.8525 54.1239 32.5123 174.6920 32 T 4.8803 8.3720 110.6643 61.2675 70.7919 173.6422 33 F 4.9899 8.8438 116.7933 56.0571 41.9863 172.8516 34 V 4.3577 8.4121 119.8605 61.9981 32.3769 174.1600 35 Y 4.7772 8.8229 130.1669 56.0259 40.3688 176.4921 36 G 3.7737 8.2886 113.6291 46.4982 0.0000 175.1088 37 G 3.8043 6.3637 107.5498 45.1572 0.0000 172.4426 38 C 5.0115 6.6941 111.4060 54.3192 44.6323 173.2174 39 R 3.8532 8.8698 116.7279 57.1089 26.9805 176.8115 40 A 4.2242 8.3850 119.4053 52.4793 18.9556 178.5641 41 K 4.3328 8.3226 121.1949 55.0682 33.7400 177.3630 42 R 3.4895 8.0108 117.9815 58.8728 30.3737 177.5942 43 N 4.8584 7.7494 118.0329 51.4321 37.4643 174.2331 44 N 5.1476 6.6121 116.5485 52.7569 41.7789 173.1147 45 F 5.0167 9.5553 124.6254 55.6559 42.6020 176.3319 46 K 4.4319 8.8462 121.6145 58.0163 32.8608 177.8260 47 S 4.4401 7.7415 112.9590 55.4390 67.2042 174.5876 48 A 3.3819 7.2813 124.8996 54.8997 18.0707 179.8205 49 E 3.7211 7.7709 117.3600 59.4835 29.8380 178.5117 50 D 4.2869 7.9568 118.8386 57.4567 40.9327 177.9675 51 C 2.4500 7.5226 118.2066 59.1922 43.5750 175.7663 52 L 3.8825 7.8681 120.6136 57.7137 40.9099 179.6984 53 R 3.9471 7.8497 117.1629 58.6123 30.0141 178.2170 54 T 4.3421 7.1668 113.9053 64.4220 69.6931 174.7625 55 C 4.5001 8.3057 115.7343 55.6407 41.9963 174.0013 56 G 3.8107 7.3173 109.3662 47.4589 0.0000 174.1257 57 G 3.8604 8.9132 112.5029 45.0450 0.0000 173.0529 58 A 4.0727 7.2485 127.2937 52.3741 18.2538 177.3424 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 R 8.25 4.19 0.00 1.65 1.69 0.00 3.35 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 2 P 0.00 4.03 0.00 0.62 1.55 0.00 3.22 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 3 D 8.38 4.41 0.00 2.69 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 4 F 7.87 4.35 0.00 3.22 3.35 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 5 C 7.57 4.72 0.00 2.97 3.20 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 6 L 7.79 4.37 0.00 1.74 1.75 0.94 1.11 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 7 E 7.50 4.33 0.00 2.18 1.89 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 2.42 2.44 0.00 8 P 0.00 4.40 0.00 2.06 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.54 0.00 0.74 0.49 0.00 3.23 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.00 10 Y 7.83 4.64 0.00 2.79 2.92 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 0.00 0.00 0.00 11 T 8.28 4.15 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 1.16 0.00 0.00 12 G 6.80 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 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.18 2.19 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.86 4.50 0.00 2.87 2.95 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 0.00 15 E 8.33 4.57 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 2.17 2.21 0.00 16 A 7.68 4.28 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.97 4.74 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.29 4.38 2.00 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 1.20 0.66 0.97 0.00 0.00 19 I 8.29 4.18 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 1.26 0.41 0.70 0.00 0.00 20 R 8.44 4.88 0.00 0.79 1.79 0.00 3.42 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 Y 9.47 5.59 0.00 3.17 3.03 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 22 F 9.54 5.76 0.00 3.09 2.91 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 23 Y 10.08 4.48 0.00 3.07 3.02 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 24 N 8.14 4.90 0.00 2.43 2.44 0.00 0.00 6.71 8.01 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 25 A 8.46 3.82 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 26 K 8.07 4.05 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 7.97 4.28 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 29 L 6.91 4.94 0.00 1.49 1.47 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 5.01 0.00 2.87 3.12 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 0.00 0.00 0.00 0.00 31 Q 8.57 4.89 0.00 1.36 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.13 1.90 0.00 32 T 8.37 4.88 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 0.75 0.00 0.00 33 F 8.84 4.99 0.00 3.02 3.19 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 34 V 8.41 4.36 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.82 4.78 0.00 2.50 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 36 G 8.29 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.36 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 38 C 6.69 5.01 0.00 3.05 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 39 R 8.87 3.85 0.00 2.25 2.28 0.00 3.28 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 40 A 8.39 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.32 4.33 0.00 1.74 1.68 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.09 7.81 42 R 8.01 3.49 0.00 0.87 0.66 0.00 2.57 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.26 0.00 43 N 7.75 4.86 0.00 3.24 2.90 0.00 0.00 6.69 7.79 0.00 0.00 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 N 6.61 5.15 0.00 2.68 2.55 0.00 0.00 7.08 7.02 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 45 F 9.56 5.02 0.00 3.28 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 46 K 8.85 4.43 0.00 1.83 1.94 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 S 7.74 4.44 0.00 3.84 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 48 A 7.28 3.38 0.93 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 49 E 7.77 3.72 0.00 1.94 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 2.31 2.33 0.00 50 D 7.96 4.29 0.00 2.97 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 51 C 7.52 2.45 0.00 2.70 3.03 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 52 L 7.87 3.88 0.00 1.59 1.61 0.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.85 3.95 0.00 1.85 1.94 0.00 3.10 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 54 T 7.17 4.34 4.12 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 0.00 0.00 0.00 1.65 0.00 0.00 55 C 8.31 4.50 0.00 2.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.32 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.91 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 58 A 7.25 4.07 1.07 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