NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3867 8.2493 123.5822 52.1276 19.9428 176.0285 2 V 4.3445 8.0785 120.6792 57.7797 34.2661 172.4949 3 Q 3.9830 9.3747 120.7342 57.1696 29.6190 178.3542 4 Q 4.3100 8.6246 118.2575 57.0764 29.8168 175.9087 5 N 5.0661 7.6501 112.7943 50.5434 41.8800 173.9831 6 K 4.1826 8.5022 122.6996 55.7520 32.8085 175.2204 7 P 4.4595 0.0000 0.0000 62.5767 32.2293 176.6855 8 T 4.3351 8.1363 111.2303 61.1062 71.3260 176.1150 9 R 3.9778 8.4528 119.1070 59.2381 29.2957 179.0953 10 S 4.0304 7.9588 113.8101 61.2732 62.5136 175.7959 11 K 3.9071 8.6237 122.7556 59.7377 31.6603 177.8725 12 R 3.9072 7.9977 117.7851 59.5685 30.1081 178.2739 13 G 4.1378 8.1671 104.1806 48.2583 0.0000 174.9972 14 M 3.9976 8.2885 121.9759 58.1098 31.9009 178.7620 15 R 3.5692 8.0814 117.5453 59.4711 30.3689 177.5444 16 R 4.5310 7.8840 115.9011 56.1988 30.0346 178.1346 17 S 4.2850 8.5785 116.7215 61.2505 62.9075 174.7499 18 H 4.7131 7.8544 116.9693 55.8284 29.1623 175.9522 19 D 4.5048 8.4054 119.5723 55.6682 40.7901 176.6654 20 A 4.2067 7.3848 123.0647 51.6067 18.9919 177.5395 21 L 4.3073 8.2240 120.9066 54.7783 42.6302 176.5047 22 T 4.4758 8.0742 116.6984 61.6621 70.0771 175.0887 23 A 4.2006 8.3130 128.8792 51.9185 19.2628 177.4650 24 V 3.6136 8.1483 119.9417 65.1634 32.0160 179.2224 25 T 3.5307 7.8422 108.1577 62.2098 68.8330 172.1056 26 S 4.7534 7.8165 115.9099 57.8736 63.3210 173.6484 27 L 4.8711 7.7667 118.7079 55.8228 41.8263 175.6358 28 S 4.6303 8.6397 113.3591 57.1802 66.8866 172.8892 29 V 4.4225 8.1124 120.5446 61.6249 32.0340 175.0421 30 D 4.6018 8.9619 127.7406 53.4995 41.8297 177.2573 31 K 4.0602 8.7475 125.6465 60.0661 33.0475 178.0709 32 T 4.0749 7.6863 112.9251 64.5171 68.9313 174.6680 33 S 4.8270 7.4980 113.8696 55.2809 66.6221 174.7039 34 G 3.4232 8.9478 109.5580 46.0732 0.0000 173.8497 35 E 3.4970 9.3323 127.0272 56.5346 27.6971 174.9299 36 K 4.8498 8.3575 122.3841 55.8054 33.4601 176.1809 37 H 4.5618 7.8473 113.2697 55.0878 31.3362 174.1949 38 L 4.2384 7.8526 121.3745 54.4338 42.1556 176.9452 39 R 4.1021 7.6853 121.7601 58.2267 30.3913 175.6203 40 H 5.0397 8.8735 116.5302 55.8718 26.7001 174.1192 41 H 4.8437 8.0448 115.1209 53.5362 31.4399 174.1152 42 I 4.0755 7.8574 122.3226 61.3740 37.6566 176.4362 43 T 4.3281 8.6624 114.2188 60.6928 69.7850 175.5222 44 A 3.6921 8.7286 125.7826 55.5923 18.2923 178.4274 45 D 4.6302 7.8166 112.7929 54.6120 41.6268 176.5641 46 G 3.7260 9.3814 109.0134 46.6665 0.0000 172.8383 47 Y 4.7917 8.0598 115.7722 56.1344 40.5955 175.5230 48 Y 4.8415 8.5227 123.9155 57.3654 40.8659 175.0204 49 R 3.7279 8.9455 128.6891 57.0961 27.0151 177.1148 50 G 4.1815 9.2517 107.4100 46.3628 0.0000 168.3027 51 R 3.6604 8.4615 125.1758 55.7452 31.0769 176.3424 52 K 3.8493 8.3937 126.0627 54.9081 30.9112 176.1721 53 V 3.7538 7.6551 118.7010 60.1576 32.9596 176.5724 54 I 2.9770 8.3173 113.9840 62.3279 33.5266 174.8238 55 A 4.0420 8.4451 128.7488 54.0193 18.5494 177.5541 56 K 4.1783 7.4360 117.8940 56.5988 32.4323 175.9440 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 A 8.25 4.39 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 2 V 8.08 4.34 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 0.72 0.00 0.00 0.93 0.00 0.00 3 Q 9.37 3.98 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.62 4.31 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 5 N 7.65 5.07 0.00 2.64 2.68 0.00 0.00 6.84 7.61 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 6 K 8.50 4.18 0.00 1.71 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.46 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 8 T 8.14 4.34 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 1.21 0.00 0.00 9 R 8.45 3.98 0.00 2.02 2.24 0.00 3.13 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 10 S 7.96 4.03 0.00 3.91 3.89 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 0.00 0.00 0.00 11 K 8.62 3.91 0.00 1.86 1.79 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 8.00 3.91 0.00 1.87 2.12 0.00 3.35 0.00 0.00 3.23 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 13 G 8.17 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 14 M 8.29 4.00 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 15 R 8.08 3.57 0.00 1.85 2.21 0.00 3.25 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 16 R 7.88 4.53 0.00 2.07 1.92 0.00 3.19 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 17 S 8.58 4.29 0.00 3.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.85 4.71 0.00 3.22 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.41 4.50 0.00 2.81 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 20 A 7.38 4.21 1.22 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 0.00 0.00 21 L 8.22 4.31 0.00 1.65 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.07 4.48 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 1.21 0.00 0.00 23 A 8.31 4.20 1.23 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 0.00 0.00 24 V 8.15 3.61 2.07 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 0.99 0.00 0.00 0.92 0.00 0.00 25 T 7.84 3.53 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 1.23 0.00 0.00 26 S 7.82 4.75 0.00 4.07 3.83 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 0.00 0.00 0.00 0.00 27 L 7.77 4.87 0.00 1.82 1.62 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.64 4.63 0.00 3.81 3.89 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 0.00 0.00 0.00 29 V 8.11 4.42 2.07 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 0.89 0.00 0.00 0.92 0.00 0.00 30 D 8.96 4.60 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.06 0.00 1.88 1.92 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 32 T 7.69 4.07 4.21 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 1.17 0.00 0.00 33 S 7.50 4.83 0.00 3.63 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 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 0.00 0.00 0.00 35 E 9.33 3.50 0.00 2.11 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 2.30 2.31 0.00 36 K 8.36 4.85 0.00 1.76 1.76 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 37 H 7.85 4.56 0.00 3.34 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.85 4.24 0.00 1.62 1.55 0.67 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.69 4.10 0.00 1.98 1.84 0.00 3.36 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.42 0.00 40 H 8.87 5.04 0.00 3.44 3.42 0.00 5.77 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.04 4.84 0.00 3.41 3.22 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.86 4.08 1.81 0.00 0.00 0.47 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 0.61 0.89 0.00 0.00 43 T 8.66 4.33 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 44 A 8.73 3.69 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 0.00 0.00 0.00 0.00 0.00 45 D 7.82 4.63 0.00 2.81 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 46 G 9.38 3.73 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 0.00 0.00 0.00 47 Y 8.06 4.79 0.00 3.13 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 48 Y 8.52 4.84 0.00 2.89 2.83 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 0.00 0.00 0.00 0.00 49 R 8.95 3.73 0.00 1.66 1.76 0.00 2.88 0.00 0.00 2.70 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 50 G 9.25 4.18 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 0.00 0.00 0.00 51 R 8.46 3.66 0.00 2.04 1.92 0.00 3.18 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 52 K 8.39 3.85 0.00 1.48 1.63 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 1.27 7.81 53 V 7.66 3.75 2.07 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 0.80 0.00 0.00 0.98 0.00 0.00 54 I 8.32 2.98 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.27 0.89 0.00 0.00 55 A 8.45 4.04 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.44 4.18 0.00 1.76 1.67 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.32 7.81