NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3203 8.1744 110.9429 62.1454 69.8191 173.4476 6 N 4.6553 7.8231 116.5521 53.4075 40.4828 172.5806 7 S 4.4026 8.7980 114.3133 59.3382 64.6725 173.0353 8 D 4.8308 8.5829 121.3038 54.7853 41.8397 175.3913 9 F 5.2860 7.9568 114.2849 55.3444 41.6300 173.6932 10 V 4.4845 8.8507 119.3745 61.1181 34.4894 174.1969 11 V 4.8245 8.8236 127.1323 61.3470 33.6814 174.2816 12 I 4.8939 9.1586 128.8041 59.3905 40.3159 174.2055 13 K 4.9757 9.1512 129.1618 54.2001 34.4485 175.0596 14 A 4.4116 8.6724 130.4185 52.3213 19.0655 177.3971 15 L 4.6356 9.0293 122.6490 54.6182 42.5126 175.9729 16 E 4.6708 7.6700 115.6320 54.9122 32.2970 174.4098 17 D 4.4549 8.3244 119.3389 55.6714 41.3335 176.9780 18 G 3.8733 8.5697 110.3662 45.3905 0.0000 173.7388 19 V 3.8492 7.6520 120.0325 63.0285 32.8063 174.3201 20 N 5.2925 8.9564 125.3206 51.5986 41.0334 173.7363 21 V 4.5190 8.7179 125.0545 61.4412 33.4247 174.3574 22 I 4.6254 8.7431 129.6942 59.3541 39.7689 174.8308 23 G 4.1064 8.8445 115.1206 44.9967 0.0000 172.4171 24 L 5.4866 8.7734 125.8039 52.8798 44.2404 176.2504 25 T 4.4903 8.7651 114.3906 61.8575 69.2249 174.1931 26 R 4.3153 7.7528 126.2721 56.4786 30.9765 175.4157 27 G 3.8481 8.8738 110.1352 43.4996 0.0000 173.1334 28 A 4.0887 8.5042 121.8789 54.6283 18.5271 177.9023 29 D 4.7612 7.8410 114.3552 53.4857 42.2700 175.9443 30 T 4.7753 8.3580 119.3349 61.9362 70.6114 173.5047 31 R 4.7832 8.8443 122.4348 54.1902 33.5271 174.5766 32 F 5.0436 8.9493 119.8317 58.4540 38.9308 174.7400 33 H 5.0415 9.0177 117.8150 55.8663 30.6010 173.3723 34 H 4.7426 7.6253 117.2707 55.0795 33.2750 171.9498 35 S 4.8450 8.2087 119.2101 56.4105 64.7833 172.2872 36 E 4.5164 9.2911 129.1832 54.4745 31.1777 174.2951 37 K 4.8574 8.6119 128.7025 55.3981 33.7173 175.3442 38 L 4.9946 8.9734 127.3555 53.0892 44.5771 175.9495 39 D 4.8789 9.7598 123.5275 53.0007 42.7275 176.0022 40 K 4.0866 8.8867 122.5919 58.4898 32.4058 177.2280 41 G 4.0204 9.0532 115.5037 45.2381 0.0000 173.6248 42 E 4.2225 8.0137 119.3953 56.3685 30.8722 176.1388 43 V 4.8031 8.2284 121.6315 61.1154 34.2839 174.1405 44 L 4.7074 8.9570 130.3571 53.3509 44.3802 174.8846 45 I 5.0389 8.4134 126.1317 59.5581 39.5885 174.7005 46 A 4.6820 8.9859 128.9903 50.1766 21.9537 175.3389 47 Q 4.8328 8.6567 121.1501 54.8891 30.5542 175.6866 48 F 4.7369 8.4548 120.2462 57.8800 39.0605 175.1646 49 T 4.7182 9.1380 111.4771 59.9876 72.0144 174.0368 50 E 4.1520 8.9301 121.4947 59.2957 29.5707 177.1378 51 H 4.6009 7.8430 114.4088 56.0433 29.9470 174.1643 52 T 5.0761 8.1734 116.6300 61.8430 71.3467 174.2734 53 S 4.9895 8.8791 119.8225 57.8646 64.7174 173.3544 54 A 5.0150 7.8905 121.0471 51.3234 22.4725 175.4631 55 I 4.9859 8.5969 121.2511 59.3383 40.8327 174.6670 56 K 4.5904 8.9555 127.9839 54.5005 34.7804 174.6501 57 V 4.8191 8.4080 126.5756 61.1912 33.7117 174.5449 58 R 4.5596 9.1275 126.9932 55.6153 32.9708 176.3831 59 G 3.9735 9.0071 108.6887 44.2245 0.0000 172.4158 60 K 4.5532 9.1111 120.3791 55.9862 33.0137 175.5805 61 A 5.1336 8.7663 127.9448 50.7456 23.4342 173.6931 62 Y 4.8134 9.2041 122.0977 56.2597 40.7530 174.4720 63 I 5.0748 8.3728 127.3304 59.5753 40.6938 174.4142 64 Q 5.1312 9.1654 125.8713 54.3736 32.0615 174.8382 65 T 4.6826 8.5355 112.3144 59.5725 72.4587 174.5121 66 R 3.7404 8.8608 120.5433 59.3728 29.8777 176.5033 67 H 4.6586 7.9624 112.9864 55.1765 29.6634 173.7790 68 G 3.7915 7.4637 105.6797 43.9836 0.0000 172.6625 69 V 4.4156 8.0984 119.9064 62.0246 32.7967 176.6307 70 I 4.6560 8.5358 126.2267 59.3719 42.0320 173.1968 71 E 5.1344 8.6091 126.0788 54.5148 32.1052 175.9689 72 S 4.6669 8.6629 119.0765 57.7847 65.2389 172.9287 73 E 4.9331 8.6355 119.5890 54.6755 32.9092 175.4012 74 G 4.1729 8.5382 109.5339 44.0787 0.0000 173.8235 75 K 4.2570 8.5237 119.5369 56.6000 32.0651 177.1560 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 5 T 8.17 4.32 4.26 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 1.22 0.00 0.00 6 N 7.82 4.66 0.00 2.76 2.85 0.00 0.00 7.30 6.75 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 7 S 8.80 4.40 0.00 4.08 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 8 D 8.58 4.83 0.00 2.82 2.71 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 0.00 0.00 0.00 0.00 9 F 7.96 5.29 0.00 2.97 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 10 V 8.85 4.48 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 1.03 0.00 0.00 0.78 0.00 0.00 11 V 8.82 4.82 2.19 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 1.14 0.00 0.00 1.21 0.00 0.00 12 I 9.16 4.89 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.92 0.00 0.00 13 K 9.15 4.98 0.00 1.83 1.74 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.67 4.41 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 15 L 9.03 4.64 0.00 1.62 1.73 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.67 0.00 2.03 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 2.19 2.33 0.00 17 D 8.32 4.45 0.00 2.69 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 18 G 8.57 3.87 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 0.00 0.00 0.00 19 V 7.65 3.85 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 0.90 0.00 0.00 1.03 0.00 0.00 20 N 8.96 5.29 0.00 2.66 2.61 0.00 0.00 6.20 6.96 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 21 V 8.72 4.52 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 0.70 0.00 0.00 0.90 0.00 0.00 22 I 8.74 4.63 1.47 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.37 -0.29 0.00 0.00 23 G 8.84 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 24 L 8.77 5.49 0.00 1.83 1.70 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.77 4.49 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 26 R 7.75 4.32 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.87 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 0.00 0.00 0.00 28 A 8.50 4.09 1.30 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 0.00 0.00 0.00 29 D 7.84 4.76 0.00 2.70 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 30 T 8.36 4.78 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 1.28 0.00 0.00 31 R 8.84 4.78 0.00 1.89 1.98 0.00 2.81 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 32 F 8.95 5.04 0.00 2.83 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 33 H 9.02 5.04 0.00 3.12 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.63 4.74 0.00 3.30 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.85 0.00 3.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.29 4.52 0.00 2.13 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 2.23 2.28 0.00 37 K 8.61 4.86 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 38 L 8.97 4.99 0.00 1.55 1.52 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.76 4.88 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.89 4.09 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 41 G 9.05 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 0.00 0.00 0.00 42 E 8.01 4.22 0.00 2.03 1.88 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 2.32 2.36 0.00 43 V 8.23 4.80 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 8.96 4.71 0.00 1.77 1.48 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.41 5.04 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.66 0.00 0.00 46 A 8.99 4.68 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.83 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.45 4.74 0.00 3.03 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 49 T 9.14 4.72 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 1.28 0.00 0.00 50 E 8.93 4.15 0.00 1.94 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 2.06 2.29 0.00 51 H 7.84 4.60 0.00 3.44 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.17 5.08 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 1.35 0.00 0.00 53 S 8.88 4.99 0.00 3.82 4.07 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 54 A 7.89 5.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.60 4.99 1.83 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.83 0.00 0.00 56 K 8.96 4.59 0.00 1.77 1.49 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 57 V 8.41 4.82 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.13 4.56 0.00 1.75 1.78 0.00 3.15 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 59 G 9.01 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 60 K 9.11 4.55 0.00 1.86 1.72 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 61 A 8.77 5.13 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 62 Y 9.20 4.81 0.00 3.01 2.82 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 63 I 8.37 5.07 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.92 0.00 0.00 64 Q 9.17 5.13 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 65 T 8.54 4.68 4.12 0.00 0.00 0.00 0.00 0.00 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 66 R 8.86 3.74 0.00 1.59 1.77 0.00 3.13 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 67 H 7.96 4.66 0.00 3.16 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.46 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.10 4.42 1.95 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 0.17 0.00 0.00 0.85 0.00 0.00 70 I 8.54 4.66 1.81 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 1.19 1.36 0.85 0.00 0.00 71 E 8.61 5.13 0.00 1.83 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 0.00 2.15 2.12 0.00 72 S 8.66 4.67 0.00 3.96 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 73 E 8.64 4.93 0.00 1.82 1.85 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 2.21 2.28 0.00 74 G 8.54 4.17 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 0.00 0.00 0.00 75 K 8.52 4.26 0.00 1.76 1.75 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.39 7.81