NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3903 8.1127 119.6566 56.1542 32.4474 173.5987 5 E 4.7198 8.3623 120.1252 53.1973 32.5589 173.2703 6 C 4.2980 9.8992 128.2747 59.6766 32.6169 173.4736 7 D 4.4224 8.5633 126.5090 55.9156 39.6994 175.7563 8 Y 4.3791 7.1058 118.2867 58.7731 41.5505 176.0835 9 C 4.0243 8.1746 115.4151 59.1612 30.8016 175.7215 10 G 3.9608 8.3492 108.1242 45.1531 0.0000 173.4149 11 T 4.4290 7.4717 109.8839 61.1428 70.7819 173.4741 12 D 4.9539 8.4936 122.6796 54.2806 41.5978 176.2963 13 I 4.0139 8.1821 125.0338 60.4179 37.5574 175.8016 14 E 3.8798 8.9987 128.8627 55.5862 29.7440 174.8702 15 P 4.2453 0.0000 0.0000 64.4711 31.5898 175.8665 16 G 3.8208 9.9307 107.7894 46.4877 0.0000 173.0734 17 T 4.4153 7.9047 113.0419 63.1101 72.5135 174.4813 18 G 4.1446 8.9538 108.6265 45.8247 0.0000 172.6412 19 T 4.8201 8.3865 113.6948 61.7288 72.8273 173.0997 20 M 5.0572 8.7418 123.9315 53.8760 34.5091 174.4384 21 F 4.8386 9.4935 130.0424 57.1246 41.1717 174.7038 22 V 4.1182 7.9246 127.0638 61.5593 31.2164 175.1996 23 H 3.9113 8.3863 126.0083 55.0829 29.4113 177.0079 24 K 3.9020 8.6282 121.5275 59.7914 31.9833 177.8326 25 D 4.3958 8.0694 116.6291 55.1502 39.2536 176.1175 26 G 3.5160 7.5837 106.3052 45.0604 0.0000 173.7049 27 A 4.2326 8.8998 123.3546 52.8431 19.7502 176.4930 28 T 5.0881 8.1442 114.0253 62.3701 72.8334 174.1677 29 T 4.6572 8.7901 121.4337 62.1818 72.4123 172.6362 30 H 5.0481 9.3588 124.9247 54.9768 30.4788 174.5494 31 F 5.3222 9.6197 122.7440 55.9150 41.1654 176.6807 32 C 4.3645 9.1272 117.0446 60.3463 30.6422 173.6480 33 S 4.6040 7.6270 114.1138 56.2598 66.3890 175.4639 34 S 3.9808 8.4446 116.8790 61.1359 62.6747 175.9895 35 K 3.6851 8.0381 122.8349 59.6748 31.7762 178.1723 36 C 4.0851 7.6617 115.9506 62.9424 28.2072 175.6502 37 E 2.5400 7.5199 119.5826 59.4415 28.7404 179.5836 38 N 4.2214 8.0684 115.1728 56.2532 38.9496 177.0356 39 N 4.5140 8.1916 117.7396 56.0663 38.6282 177.3314 40 A 4.1825 7.7646 122.2787 55.4399 18.3214 179.4599 41 D 4.5551 7.5654 115.3984 57.0995 40.8948 178.2000 42 L 4.3383 7.4657 116.7570 54.6525 41.7531 177.6982 43 G 3.9654 8.2977 107.5952 45.8244 0.0000 174.1929 44 R 4.3229 7.8327 117.6088 55.4571 31.1810 175.5063 45 E 4.5711 8.4647 119.8586 54.2499 31.6746 176.8577 46 A 3.4087 8.2226 126.6854 55.1901 18.3258 179.7758 47 R 3.8687 7.6270 110.5481 58.7151 29.6506 177.2609 48 N 4.4175 8.1113 114.8422 53.8372 39.2063 174.7946 49 L 4.4409 7.1888 119.2392 52.7451 41.9382 176.7327 50 E 3.9313 8.9871 124.8977 59.2138 29.5215 179.2128 51 W 4.3668 7.9848 114.0124 58.9963 28.7441 176.6571 52 T 3.7236 7.0249 117.5451 63.0639 68.2942 174.9000 53 D 4.3459 8.8319 126.3231 57.9412 40.9826 177.9473 54 T 3.8078 7.5996 114.3746 66.7157 68.6927 175.0342 55 A 3.9873 7.8563 122.9267 55.3467 18.5560 177.5966 56 R 4.0947 7.7588 118.0929 56.5683 30.0899 176.3829 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 4.39 0.00 1.78 1.90 0.00 3.00 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 E 8.36 4.72 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.57 0.00 6 C 9.90 4.30 0.00 3.06 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 7 D 8.56 4.42 0.00 2.66 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 7.11 4.38 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.02 0.00 3.18 3.40 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 10 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.43 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 8.49 4.95 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.01 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.97 0.00 0.00 14 E 9.00 3.88 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 2.32 2.40 0.00 15 P 0.00 4.25 0.00 2.23 2.07 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 G 9.93 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 17 T 7.90 4.42 4.56 0.00 0.00 0.00 0.00 0.00 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 8.95 4.14 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 0.00 0.00 0.00 19 T 8.39 4.82 4.35 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 1.29 0.00 0.00 20 M 8.74 5.06 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.38 0.00 21 F 9.49 4.84 0.00 3.29 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.12 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 0.73 0.00 0.00 0.86 0.00 0.00 23 H 8.39 3.91 0.00 3.26 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.63 3.90 0.00 1.74 1.86 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 1.43 1.44 7.81 25 D 8.07 4.40 0.00 2.81 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 7.58 3.52 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 0.00 0.00 0.00 0.00 27 A 8.90 4.23 1.15 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 0.00 0.00 28 T 8.14 5.09 4.24 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 1.16 0.00 0.00 29 T 8.79 4.66 4.34 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 0.53 0.00 0.00 30 H 9.36 5.05 0.00 3.11 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.62 5.32 0.00 3.10 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 32 C 9.13 4.36 0.00 3.17 3.17 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 33 S 7.63 4.60 0.00 4.03 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 8.44 3.98 0.00 3.97 4.09 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 35 K 8.04 3.69 0.00 1.73 1.82 0.00 1.39 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.35 1.34 7.81 36 C 7.66 4.09 0.00 3.42 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 2.54 0.00 1.82 1.35 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 1.47 2.25 0.00 38 N 8.07 4.22 0.00 2.73 2.78 0.00 0.00 7.12 7.96 0.00 0.00 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 8.19 4.51 0.00 3.01 3.12 0.00 0.00 6.90 7.28 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 40 A 7.76 4.18 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 41 D 7.57 4.56 0.00 2.73 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 42 L 7.47 4.34 0.00 1.87 1.73 0.95 1.02 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 43 G 8.30 3.97 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 0.00 0.00 0.00 44 R 7.83 4.32 0.00 2.15 1.99 0.00 3.30 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 45 E 8.46 4.57 0.00 1.96 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 2.32 2.29 0.00 46 A 8.22 3.41 0.54 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 47 R 7.63 3.87 0.00 1.84 1.98 0.00 2.96 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 48 N 8.11 4.42 0.00 2.79 2.88 0.00 0.00 6.92 8.70 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 49 L 7.19 4.44 0.00 1.04 1.03 1.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.99 3.93 0.00 2.03 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 2.32 2.34 0.00 51 W 7.98 4.37 0.00 3.57 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 52 T 7.02 3.72 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 1.02 0.00 0.00 53 D 8.83 4.35 0.00 2.86 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 7.60 3.81 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 1.07 0.00 0.00 55 A 7.86 3.99 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 56 R 7.76 4.09 0.00 1.96 1.84 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00