NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5167 8.0433 122.7616 54.8867 44.0217 175.0102 2 K 5.0615 9.3611 125.6052 54.5470 34.8338 173.3083 3 C 5.3890 9.9609 122.3260 55.0894 44.8436 173.2052 4 N 5.2014 9.5356 120.1035 53.4198 39.1878 175.2711 5 K 4.3482 8.9057 122.1060 54.8161 33.8209 176.4618 6 L 3.8140 8.5857 122.1750 58.0604 41.9694 176.9813 7 V 4.1821 7.7035 119.7547 60.4630 31.1306 173.8238 8 P 4.4471 0.0000 0.0000 65.5057 31.3563 177.8574 9 L 3.8468 7.7698 118.5182 56.8336 42.3608 176.4108 10 F 5.3589 8.2929 117.4738 56.0525 42.0232 174.4112 11 Y 5.3647 8.2211 118.7805 56.5442 41.3422 173.3566 12 K 4.4221 8.8460 116.2198 56.2344 36.2106 174.9183 13 T 4.7366 8.3933 118.6437 63.2984 69.2881 175.5202 14 C 4.6726 9.2242 124.8073 56.2456 36.2961 172.1771 15 P 4.4847 0.0000 0.0000 61.4671 32.2857 175.1700 16 A 4.0475 8.2533 121.9243 53.3768 18.4052 177.5256 17 G 4.0608 9.0493 111.2182 45.1684 0.0000 173.8441 18 K 4.5491 7.5805 118.9806 54.6595 32.1878 175.2778 19 N 5.0487 8.3923 122.8725 52.0233 38.2583 175.1957 20 L 4.9683 7.6563 116.6556 54.5403 46.6409 174.9838 21 C 5.4600 9.4855 120.4546 56.1851 36.9936 172.2511 22 Y 6.1079 8.5472 117.9961 55.5998 41.9539 173.6969 23 K 4.8815 8.8372 120.5308 55.1534 36.0285 174.1355 24 M 5.0061 9.3762 127.8115 53.9272 34.7473 174.3943 25 F 5.0526 7.9297 118.9067 56.1102 42.0825 172.4272 26 M 4.6848 8.6281 120.0550 54.4565 32.9579 177.1342 27 V 3.6729 8.6829 126.1189 64.9460 31.3638 177.1152 28 A 4.3312 7.9453 120.3678 53.1416 19.6571 177.0094 29 T 4.7533 8.1918 106.4533 59.2848 68.5459 173.2960 30 P 3.9567 0.0000 0.0000 66.2063 31.8522 178.2375 31 K 4.0733 7.8648 115.6051 57.1594 32.8329 176.9196 32 V 4.4197 7.2468 118.4676 60.2325 31.0010 173.3071 33 P 4.6264 0.0000 0.0000 63.5175 32.0230 177.2113 34 V 4.4221 8.6716 111.8832 61.4646 33.6292 175.8129 35 K 4.6730 7.7808 120.5757 55.4494 35.5752 174.4312 36 R 4.4668 8.1303 124.3056 54.3079 34.4425 175.5082 37 G 3.8817 6.8368 108.0672 46.5891 0.0000 170.9960 38 C 5.3970 8.6285 116.6388 55.9706 40.9239 172.5849 39 I 4.5171 8.4383 121.0303 60.3777 40.8989 174.8905 40 D 4.5656 8.5752 123.1318 54.2169 40.2899 177.3584 41 V 4.2986 7.2313 117.4871 59.0826 34.0307 175.4081 42 C 4.1892 8.7385 123.3928 55.8080 43.5357 171.3838 43 P 4.0500 0.0000 0.0000 62.2535 31.3091 176.1145 44 K 4.0555 8.1050 122.5628 56.3261 32.6863 177.0656 45 S 4.7516 8.5299 122.4923 58.2939 63.7524 173.3283 46 S 4.8422 8.6583 117.1792 56.2673 65.8442 173.1975 47 L 4.0729 8.7780 120.9079 58.1741 41.8022 178.1419 48 L 4.4185 7.8589 115.9653 54.3573 43.6416 175.5233 49 V 4.3555 7.5200 119.0407 61.0750 33.1102 174.7097 50 K 4.7178 8.0177 127.5481 54.6723 35.1259 175.0483 51 Y 5.1577 8.3183 119.6280 56.2933 41.3511 175.0045 52 V 4.5534 9.3665 124.4513 61.5391 33.7047 173.7565 53 C 5.8260 8.8207 124.6793 55.5213 40.3324 172.0591 54 C 5.0773 8.9540 116.5557 53.9919 45.3086 173.1156 55 N 5.1545 8.3813 114.6472 53.0809 37.4025 174.5189 56 T 4.5796 7.5785 114.1774 62.2135 71.6652 173.6895 57 D 4.6416 8.8972 124.3191 56.2872 41.2280 177.2582 58 R 3.7671 8.8807 124.9479 57.3037 28.2181 174.7188 59 C 4.4962 8.0727 111.3053 56.2388 42.8438 173.4339 60 N 4.5214 7.9905 122.5797 53.0153 37.2423 174.7419 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 L 8.04 4.52 0.00 1.82 1.64 1.04 0.33 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 2 K 9.36 5.06 0.00 1.74 1.87 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.71 7.81 3 C 9.96 5.39 0.00 2.88 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 4 N 9.54 5.20 0.00 2.67 2.77 0.00 0.00 6.95 7.54 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 5 K 8.91 4.35 0.00 1.73 1.83 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.47 7.81 6 L 8.59 3.81 0.00 1.60 1.78 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.70 4.18 2.51 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 0.89 0.00 0.00 1.07 0.00 0.00 8 P 0.00 4.45 0.00 2.02 2.11 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 9 L 7.77 3.85 0.00 1.25 0.91 0.73 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.29 5.36 0.00 2.99 2.87 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 11 Y 8.22 5.36 0.00 3.16 3.06 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 0.00 0.00 0.00 12 K 8.85 4.42 0.00 1.80 1.84 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 13 T 8.39 4.74 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 1.31 0.00 0.00 14 C 9.22 4.67 0.00 2.84 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 15 P 0.00 4.48 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 16 A 8.25 4.05 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 0.00 0.00 0.00 0.00 0.00 17 G 9.05 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.58 4.55 0.00 1.70 1.98 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.34 7.81 19 N 8.39 5.05 0.00 2.83 2.90 0.00 0.00 6.07 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 20 L 7.66 4.97 0.00 1.81 1.60 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.49 5.46 0.00 2.98 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 22 Y 8.55 6.11 0.00 3.28 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 23 K 8.84 4.88 0.00 1.82 1.77 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.54 1.44 7.81 24 M 9.38 5.01 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.25 0.00 25 F 7.93 5.05 0.00 3.17 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 26 M 8.63 4.68 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 27 V 8.68 3.67 2.05 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 0.73 0.00 0.00 0.98 0.00 0.00 28 A 7.95 4.33 1.32 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 0.00 0.00 0.00 29 T 8.19 4.75 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 1.23 0.00 0.00 30 P 0.00 3.96 0.00 1.93 2.12 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 31 K 7.86 4.07 0.00 1.71 1.85 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 32 V 7.25 4.42 2.10 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 0.83 0.00 0.00 0.93 0.00 0.00 33 P 0.00 4.63 0.00 2.24 2.04 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 34 V 8.67 4.42 2.11 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 0.69 0.00 0.00 0.99 0.00 0.00 35 K 7.78 4.67 0.00 1.94 1.85 0.00 1.86 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.57 7.81 36 R 8.13 4.47 0.00 1.60 1.84 0.00 3.49 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 37 G 6.84 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 38 C 8.63 5.40 0.00 3.05 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 39 I 8.44 4.52 1.78 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.98 0.96 0.00 0.00 40 D 8.58 4.57 0.00 2.80 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 41 V 7.23 4.30 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 0.66 0.00 0.00 0.86 0.00 0.00 42 C 8.74 4.19 0.00 2.94 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 43 P 0.00 4.05 0.00 0.49 1.03 0.00 3.31 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.52 0.00 44 K 8.10 4.06 0.00 1.63 1.66 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.52 7.81 45 S 8.53 4.75 0.00 3.94 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 46 S 8.66 4.84 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.78 4.07 0.00 1.60 1.75 0.92 0.87 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 48 L 7.86 4.42 0.00 1.69 1.63 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.52 4.36 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 0.72 0.00 0.00 0.87 0.00 0.00 50 K 8.02 4.72 0.00 0.79 1.23 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.02 1.34 7.81 51 Y 8.32 5.16 0.00 2.84 2.87 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 52 V 9.37 4.55 2.29 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 1.15 0.00 0.00 1.24 0.00 0.00 53 C 8.82 5.83 0.00 2.91 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 54 C 8.95 5.08 0.00 3.01 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 55 N 8.38 5.15 0.00 2.81 2.95 0.00 0.00 5.85 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 56 T 7.58 4.58 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 1.20 0.00 0.00 57 D 8.90 4.64 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.88 3.77 0.00 1.76 1.99 0.00 2.21 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 59 C 8.07 4.50 0.00 3.11 3.28 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 0.00 0.00 0.00 0.00 60 N 7.99 4.52 0.00 2.93 2.85 0.00 0.00 5.91 7.56 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