NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2815 8.1127 119.7053 55.9999 31.5858 173.6458 5 E 4.7609 8.2678 120.3122 53.1914 31.9222 173.8836 6 C 4.3767 9.6302 128.1669 59.4010 32.8848 173.5868 7 D 4.4252 8.6788 127.0021 56.1111 39.9359 175.8735 8 Y 4.2510 6.7260 119.6677 58.9292 40.2747 176.1812 9 C 3.9354 8.2499 114.2328 60.0030 30.7464 175.8748 10 G 4.0982 8.3416 106.7747 44.8334 0.0000 173.4809 11 T 4.3620 7.7519 109.9088 61.3261 70.5381 173.3927 12 D 4.8587 8.5126 122.5340 54.4312 41.6654 176.1711 13 I 4.1409 8.4827 125.2453 60.0139 37.8597 175.6042 14 E 3.8965 8.9895 128.9224 55.5228 29.7439 174.7106 15 P 4.2410 0.0000 0.0000 64.4228 31.5273 175.7776 16 G 3.9076 9.2119 107.1096 46.5824 0.0000 173.2923 17 T 4.4816 7.8582 113.2493 62.8072 72.5669 174.3667 18 G 4.1096 9.0844 109.0869 45.5887 0.0000 172.5813 19 T 4.7790 8.3554 113.2928 61.7691 72.7842 173.3233 20 M 4.9953 8.7637 124.5587 53.9267 34.0433 174.5060 21 F 4.7589 9.5472 130.4215 57.2198 41.1822 174.4217 22 V 4.3181 7.6356 126.4409 61.5766 32.4515 175.4489 23 H 4.1529 8.9244 125.9424 54.8452 29.5807 176.5060 24 K 3.8580 8.7841 122.3588 59.7624 31.9225 177.9715 25 D 4.4009 8.0069 116.3082 54.9289 39.4746 176.2266 26 G 3.7380 7.7846 106.3796 45.1342 0.0000 174.1033 27 A 4.2301 9.0129 122.9849 52.8227 19.6810 176.5486 28 T 5.0849 8.4067 115.1355 62.0534 72.0653 173.8761 29 T 4.6595 9.0883 122.1352 62.1446 72.2055 172.6692 30 H 5.0884 9.9515 125.3516 54.9577 30.4080 174.5169 31 F 5.2375 9.3766 123.1141 55.9367 41.0108 176.5935 32 C 4.4993 9.0811 116.8494 59.4860 30.6850 173.6551 33 S 4.6458 7.6105 114.5730 56.2968 66.3150 175.4698 34 S 4.7742 8.4258 118.9141 60.9029 62.7205 176.0603 35 K 3.7136 8.0852 122.8892 59.7869 31.7778 178.2747 36 C 4.2566 7.8120 115.1826 62.6343 28.1259 175.6469 37 E 2.6010 7.7689 120.0720 59.3328 28.5635 179.2333 38 N 4.1868 8.4784 116.3853 56.4980 38.4410 177.3223 39 N 4.4272 8.1952 117.5984 56.0022 38.5390 177.4762 40 A 4.2417 7.7280 122.3485 55.2982 18.3601 179.4015 41 D 4.2361 7.9253 115.9270 56.7509 40.8970 178.0964 42 L 4.3224 7.3041 117.2696 54.7667 41.9457 177.7153 43 G 3.9834 8.5729 107.9290 45.3929 0.0000 174.1872 44 R 4.2692 7.5541 118.3842 55.7163 30.9777 175.6410 45 E 4.6105 8.4891 119.7168 54.2723 31.5602 176.9347 46 A 3.3574 8.1547 126.5267 55.2766 18.3844 179.8057 47 R 3.8037 7.6526 113.4453 59.1377 30.1930 177.3031 48 N 4.5066 8.1286 113.0532 53.5069 39.1431 174.6635 49 L 4.5237 7.1377 119.9044 52.6221 42.6610 177.3621 50 E 4.0016 8.7836 124.4573 58.7989 29.6476 178.5245 51 W 4.4016 7.8966 114.6279 58.6774 28.8993 176.7220 52 T 3.8136 6.8068 117.2710 62.9183 68.3133 174.9630 53 D 4.3048 8.8765 126.4386 57.9334 40.7595 177.8374 54 T 3.7270 7.7901 114.4453 66.8962 68.7733 174.9988 55 A 3.9751 7.7202 124.0342 55.2347 18.7081 177.6245 56 R 4.1088 7.9098 118.6713 56.5681 30.1312 176.3145 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 4 R 8.11 4.28 0.00 1.88 1.89 0.00 3.00 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 5 E 8.27 4.76 0.00 1.95 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 2.17 2.39 0.00 6 C 9.63 4.38 0.00 3.08 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 7 D 8.68 4.43 0.00 2.65 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 8 Y 6.73 4.25 0.00 2.82 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 9 C 8.25 3.94 0.00 3.13 3.42 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 10 G 8.34 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 11 T 7.75 4.36 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 12 D 8.51 4.86 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.14 1.90 0.00 0.00 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 1.18 0.60 0.97 0.00 0.00 14 E 8.99 3.90 0.00 1.93 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 2.31 2.39 0.00 15 P 0.00 4.24 0.00 2.22 2.07 0.00 3.94 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 2.01 2.00 0.00 16 G 9.21 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 17 T 7.86 4.48 4.58 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 1.25 0.00 0.00 18 G 9.08 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 0.00 0.00 0.00 0.00 19 T 8.36 4.78 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 20 M 8.76 5.00 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.41 0.00 21 F 9.55 4.76 0.00 3.26 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 4.32 1.83 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 0.72 0.00 0.00 0.83 0.00 0.00 23 H 8.92 4.15 0.00 3.32 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.78 3.86 0.00 1.74 1.89 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 D 8.01 4.40 0.00 2.83 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 26 G 7.78 3.74 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 0.00 0.00 0.00 27 A 9.01 4.23 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 5.08 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 T 9.09 4.66 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 30 H 9.95 5.09 0.00 3.14 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.38 5.24 0.00 3.03 3.09 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 0.00 0.00 0.00 0.00 32 C 9.08 4.50 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.61 4.65 0.00 4.05 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 34 S 8.43 4.77 0.00 3.98 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 0.00 35 K 8.09 3.71 0.00 1.75 1.85 0.00 1.37 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.39 1.35 7.81 36 C 7.81 4.26 0.00 3.32 3.26 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 37 E 7.77 2.60 0.00 1.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.28 0.00 38 N 8.48 4.19 0.00 2.77 2.79 0.00 0.00 7.14 7.46 0.00 0.00 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 8.20 4.43 0.00 3.13 3.13 0.00 0.00 6.90 6.95 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 40 A 7.73 4.24 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 4.24 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.30 4.32 0.00 1.87 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.57 3.98 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 0.00 0.00 0.00 44 R 7.55 4.27 0.00 2.12 1.99 0.00 3.26 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.49 4.61 0.00 1.96 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 2.33 2.29 0.00 46 A 8.15 3.36 0.39 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 47 R 7.65 3.80 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 8.13 4.51 0.00 2.78 2.83 0.00 0.00 6.92 8.59 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 49 L 7.14 4.52 0.00 0.96 0.80 1.18 1.40 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 50 E 8.78 4.00 0.00 2.02 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 2.30 2.30 0.00 51 W 7.90 4.40 0.00 3.51 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 52 T 6.81 3.81 3.98 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 0.94 0.00 0.00 53 D 8.88 4.30 0.00 2.78 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 54 T 7.79 3.73 3.99 0.00 0.00 0.00 0.00 0.00 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 55 A 7.72 3.98 1.26 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 0.00 0.00 56 R 7.91 4.11 0.00 1.84 1.84 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00