NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7711 8.2048 120.4468 55.6452 33.5997 174.2661 2 R 5.0170 8.9252 124.2259 53.8763 34.5315 172.8091 3 A 4.8797 9.0613 121.8985 49.8026 23.1539 175.0213 4 C 4.3789 9.0637 122.6393 59.6253 32.0499 175.0354 5 L 4.1196 8.8167 126.3163 57.0313 41.6990 178.1509 6 K 4.2994 8.1872 118.5313 57.8685 32.5179 176.6121 7 C 4.6695 7.8562 110.2625 57.1462 30.7103 175.0204 8 K 4.1521 8.2913 119.6213 56.5640 30.4023 174.9561 9 Y 3.8332 7.5275 120.3884 58.1658 39.6406 175.0168 10 L 4.5292 7.0603 126.6031 53.8491 43.0154 175.8785 11 T 4.2856 8.5596 116.0036 61.5804 70.6118 173.8340 12 N 4.5512 8.6887 122.5953 54.9229 39.2207 175.2085 13 D 4.4855 7.8331 118.3028 54.2820 41.9229 175.8777 14 E 4.5607 8.6271 123.4364 57.2453 30.6856 176.1540 15 I 5.0072 7.6810 120.0237 59.1037 40.9333 174.9256 16 C 4.2646 9.1405 128.1415 58.9607 31.7779 172.9338 17 P 4.2407 0.0000 0.0000 65.0598 31.3658 177.8625 18 I 3.7642 7.3554 118.6948 63.4395 37.6311 176.3947 19 C 4.4867 7.5761 111.7057 57.5161 30.1897 174.5209 20 H 4.2793 8.1660 116.2876 56.4284 26.7868 174.8761 21 S 4.6200 7.3562 113.8242 56.8670 64.9290 172.0823 22 P 4.9556 0.0000 0.0000 63.1432 32.4670 175.6552 23 T 5.0708 8.4740 112.1673 60.3160 72.1561 173.0005 24 S 4.9056 8.9314 116.0240 56.7873 65.8112 174.6475 25 E 4.5156 9.1454 123.9742 58.3731 30.0518 177.2524 26 N 4.8365 8.1748 120.5851 51.7084 37.2924 173.3987 27 W 5.7424 7.5905 118.0605 54.3974 32.4672 175.3266 28 I 4.4749 9.1994 120.7515 60.9938 41.3680 176.3607 29 G 4.3949 9.8383 110.3535 45.7520 0.0000 171.7412 30 L 5.2560 8.1508 120.5968 53.0901 45.3029 175.2031 31 L 4.6910 9.3836 128.1124 53.5046 44.9787 174.9936 32 I 4.7252 8.4911 127.9791 60.0196 38.6515 175.5835 33 V 4.1294 9.0644 128.9991 61.7561 32.1189 176.4364 34 I 3.8844 8.5396 129.4498 63.0597 37.9571 175.7287 35 N 4.8501 7.6820 119.6616 50.6214 39.5506 172.3302 36 P 4.2875 0.0000 0.0000 65.3536 31.8160 178.0984 37 E 4.0797 8.3716 116.1311 58.8478 29.4031 178.4057 38 K 4.5484 8.0506 115.2959 55.3766 33.1786 176.7726 39 S 4.4568 7.6317 115.3936 57.0623 63.1556 173.9017 40 E 3.9589 8.7121 130.6572 59.2988 29.4677 178.6034 41 I 3.6645 7.7241 119.2363 64.2241 37.2581 177.8169 42 A 3.9007 8.1271 121.7354 55.2579 18.1710 179.7629 43 K 3.8660 7.8636 116.3170 59.7277 31.9328 179.7924 44 K 4.0131 7.9563 117.1421 58.9549 32.0321 178.3762 45 A 4.3360 7.9261 118.6073 51.4634 18.7269 177.5118 46 G 3.7609 7.6728 105.2031 46.3273 0.0000 173.5822 47 I 4.1689 7.9434 121.2052 59.3820 38.1427 175.4653 48 D 4.9065 8.6565 122.7487 52.5658 40.1769 175.1850 49 I 4.6516 7.4970 118.9627 58.6991 40.9619 175.0100 50 K 4.3219 8.8237 126.1107 56.4532 33.2786 177.2508 51 G 3.9877 7.4054 107.4976 45.2408 0.0000 170.7662 52 K 4.9791 7.1945 118.1152 54.7563 34.8730 175.4442 53 Y 5.0166 8.9763 120.8994 55.9438 42.1155 175.1209 54 A 5.1080 8.5978 124.3652 51.4353 19.1233 177.5887 55 L 4.5084 8.9835 119.6734 56.7924 42.7277 177.8144 56 S 4.8423 7.9724 111.4606 56.8976 66.5415 173.4631 57 V 5.1058 8.3351 120.1241 61.6155 34.6218 174.2257 58 K 4.7890 8.9506 124.2303 54.4423 36.7098 176.3679 59 E 4.1538 8.7484 120.0979 56.9444 29.3970 177.2081 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 M 8.20 4.77 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 2 R 8.93 5.02 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 3 A 9.06 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.06 4.38 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 4.12 0.00 1.72 1.75 0.95 0.76 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 6 K 8.19 4.30 0.00 1.72 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 7 C 7.86 4.67 0.00 3.20 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 8 K 8.29 4.15 0.00 2.21 2.25 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 9 Y 7.53 3.83 0.00 2.98 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 10 L 7.06 4.53 0.00 0.97 1.01 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.56 4.29 4.29 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 1.32 0.00 0.00 12 N 8.69 4.55 0.00 2.79 2.84 0.00 0.00 6.51 8.08 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 13 D 7.83 4.49 0.00 2.66 2.70 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 14 E 8.63 4.56 0.00 1.98 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 2.41 2.19 0.00 15 I 7.68 5.01 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.97 0.00 0.00 16 C 9.14 4.26 0.00 2.98 2.78 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 0.00 0.00 0.00 17 P 0.00 4.24 0.00 1.85 2.02 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 18 I 7.36 3.76 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.32 0.81 0.00 0.00 19 C 7.58 4.49 0.00 3.05 3.07 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 20 H 8.17 4.28 0.00 3.32 3.48 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.36 4.62 0.00 3.97 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 22 P 0.00 4.96 0.00 2.12 2.03 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 23 T 8.47 5.07 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 S 8.93 4.91 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 4.52 0.00 2.05 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 0.00 2.42 2.37 0.00 26 N 8.17 4.84 0.00 2.81 3.03 0.00 0.00 6.52 7.27 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 27 W 7.59 5.74 0.00 3.51 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 28 I 9.20 4.47 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.01 0.93 0.00 0.00 29 G 9.84 4.39 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 0.00 30 L 8.15 5.26 0.00 1.80 1.61 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.38 4.69 0.00 1.75 1.55 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.49 4.73 1.89 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 1.21 0.73 0.92 0.00 0.00 33 V 9.06 4.13 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 0.99 0.00 0.00 0.92 0.00 0.00 34 I 8.54 3.88 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.92 0.00 0.00 35 N 7.68 4.85 0.00 2.67 2.66 0.00 0.00 7.18 7.71 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 36 P 0.00 4.29 0.00 2.09 2.11 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 37 E 8.37 4.08 0.00 2.10 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 2.32 2.40 0.00 38 K 8.05 4.55 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 39 S 7.63 4.46 0.00 3.96 3.78 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 0.00 0.00 0.00 40 E 8.71 3.96 0.00 2.07 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 2.37 2.39 0.00 41 I 7.72 3.66 1.86 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 1.57 0.40 0.90 0.00 0.00 42 A 8.13 3.90 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 43 K 7.86 3.87 0.00 2.00 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 44 K 7.96 4.01 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 45 A 7.93 4.34 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 4.17 1.62 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.44 0.58 0.00 0.00 48 D 8.66 4.91 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 4.65 1.89 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 1.53 0.98 0.98 0.00 0.00 50 K 8.82 4.32 0.00 2.12 1.86 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.50 7.81 51 G 7.41 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 0.00 0.00 0.00 0.00 52 K 7.19 4.98 0.00 1.30 1.49 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.26 7.81 53 Y 8.98 5.02 0.00 2.75 2.77 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 54 A 8.60 5.11 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 L 8.98 4.51 0.00 1.76 1.79 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.97 4.84 0.00 3.89 3.95 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 57 V 8.34 5.11 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 1.00 0.00 0.00 1.03 0.00 0.00 58 K 8.95 4.79 0.00 1.65 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.44 7.81 59 E 8.75 4.15 0.00 1.98 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 2.34 2.33 0.00