NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4283 8.3231 116.7960 57.8672 63.0495 172.2968 11 G 3.6390 7.4856 121.1646 43.0897 0.0000 169.2238 12 T 5.2523 7.6482 107.7271 58.9960 73.0027 172.6902 13 E 5.3004 8.6712 122.2025 54.6255 32.5835 174.3609 14 C 5.3824 9.3686 117.6426 56.5619 33.3094 172.6334 15 I 5.0149 8.7544 120.8510 59.3702 40.2549 174.6568 16 A 4.1159 8.6262 128.9005 51.8480 18.9201 178.0664 17 K 3.7578 8.8541 124.6452 58.4163 33.0510 175.8996 18 Y 4.9520 8.1773 114.9840 56.0521 41.3001 176.3745 19 N 5.1489 8.6977 117.7999 51.8358 35.4134 173.1870 20 F 4.2952 7.9033 126.8349 58.4090 41.0011 175.5690 21 H 4.2802 7.9808 122.4961 54.5965 29.8266 174.3237 22 G 4.0327 7.8707 108.1803 45.3251 0.0000 173.3763 23 T 4.2596 8.5566 116.6279 61.7131 69.8692 173.8186 24 A 4.7714 7.5124 122.6515 49.5392 22.0816 176.4159 25 E 3.9429 8.7990 118.6059 59.0870 29.9277 178.3264 26 Q 4.1678 7.8685 117.6357 57.3577 29.7234 175.1172 27 D 5.3717 7.9285 118.2694 53.7137 42.8134 174.9984 28 L 5.2162 8.6204 123.5959 53.1872 42.7293 174.6967 29 P 4.3739 0.0000 0.0000 62.6013 32.5014 174.7887 30 F 5.1451 7.1202 114.1916 55.7440 41.9619 173.2081 31 C 5.1001 9.0525 116.1064 57.5470 31.0892 174.1165 32 K 4.3105 8.9119 121.8838 58.5633 32.1713 176.5014 33 G 4.0457 8.9156 112.4855 44.9690 0.0000 173.3989 34 D 4.7619 8.6486 120.9888 54.0991 42.1485 175.6419 35 V 4.9491 8.3155 121.2912 60.0136 33.8301 174.9202 36 L 5.0239 9.0661 123.0518 53.3424 46.0676 175.3161 37 T 4.9955 8.5310 119.0750 61.8081 70.7185 174.2435 38 I 4.0635 8.4139 127.9155 61.6884 37.0537 175.9688 39 V 4.3459 8.5167 126.2178 64.0668 33.7885 175.1100 40 A 4.5699 7.6997 118.7801 51.2524 22.3432 175.2263 41 V 4.8791 8.5027 119.2386 61.6836 33.6808 175.4674 42 T 4.4076 7.8315 115.9365 59.8668 70.3173 174.4334 43 K 3.8608 8.7520 122.5169 59.3795 32.0761 176.3464 44 D 4.8201 7.3420 115.6208 52.0708 41.8375 173.5059 45 P 4.1460 0.0000 0.0000 63.5714 31.9312 177.3099 46 N 4.3171 8.0495 115.6162 54.4099 40.8573 174.8603 47 W 4.6303 7.7070 119.5177 56.3737 30.2828 175.3926 48 Y 5.1403 8.9180 122.1245 56.1475 42.3898 174.1530 49 K 4.9995 9.1706 124.0869 55.2661 34.0485 175.2243 50 A 5.4215 9.1593 128.1079 50.5111 23.4777 174.2429 51 K 5.1085 9.3053 117.7188 55.1051 36.0475 176.1697 52 N 5.2470 8.9963 120.5254 51.7150 40.5980 176.4484 53 K 4.1545 8.6681 118.2035 59.1461 32.8837 178.2582 54 V 3.8170 7.7179 111.7197 62.0162 31.9121 176.7902 55 G 3.9333 8.1444 108.4758 44.9900 0.0000 173.6395 56 R 4.3948 7.7111 119.9970 55.7324 31.7091 174.7903 57 E 4.9885 8.3337 121.6803 54.7358 32.0424 174.9931 58 G 4.1600 8.8842 109.3308 45.7888 0.0000 171.9966 59 I 5.2531 8.3310 121.3591 60.1612 39.3122 175.3568 60 I 5.6820 9.2674 118.3726 58.6925 41.5087 172.6573 61 P 3.1656 0.0000 0.0000 61.8289 31.9308 177.2775 62 A 3.9812 8.5956 127.0614 54.7771 18.4926 178.4454 63 N 4.5315 7.8671 110.9737 54.4681 37.7031 174.7807 64 Y 4.7818 8.1231 116.1134 58.1277 40.1231 175.0883 65 V 4.8967 7.9801 111.9402 59.9156 36.7833 174.0250 66 Q 4.5530 9.2719 119.3485 54.3881 31.4161 174.6381 67 K 4.5127 8.4234 124.0577 54.8674 32.7000 176.9816 68 R 3.8741 8.6821 129.4522 58.5941 30.6902 176.0153 69 E 4.1563 7.6647 123.5303 56.1174 29.5841 175.2704 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 10 S 8.32 4.43 0.00 3.88 3.92 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 0.00 0.00 0.00 11 G 7.49 3.64 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 0.00 0.00 0.00 12 T 7.65 5.25 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 1.25 0.00 0.00 13 E 8.67 5.30 0.00 1.97 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 0.00 2.21 2.18 0.00 14 C 9.37 5.38 0.00 2.94 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 15 I 8.75 5.01 1.81 0.00 0.00 0.81 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 0.81 0.87 0.00 0.00 16 A 8.63 4.12 1.04 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.85 3.76 0.00 1.76 0.74 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.08 1.22 7.81 18 Y 8.18 4.95 0.00 3.36 3.14 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 19 N 8.70 5.15 0.00 2.75 2.93 0.00 0.00 5.95 7.48 0.00 0.00 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 F 7.90 4.30 0.00 1.78 1.97 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 21 H 7.98 4.28 0.00 3.04 3.07 0.00 5.59 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 22 G 7.87 4.03 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 0.00 0.00 0.00 23 T 8.56 4.26 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 1.61 0.00 0.00 24 A 7.51 4.77 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.80 3.94 0.00 2.05 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 0.00 2.23 2.30 0.00 26 Q 7.87 4.17 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 27 D 7.93 5.37 0.00 2.79 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 28 L 8.62 5.22 0.00 1.69 1.66 1.20 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.37 0.00 1.90 1.71 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 30 F 7.12 5.15 0.00 3.04 3.08 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 0.00 0.00 0.00 31 C 9.05 5.10 0.00 3.23 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 32 K 8.91 4.31 0.00 1.94 2.02 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 G 8.92 4.05 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 0.00 0.00 0.00 34 D 8.65 4.76 0.00 2.75 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 35 V 8.32 4.95 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 0.69 0.00 0.00 0.96 0.00 0.00 36 L 9.07 5.02 0.00 1.55 1.67 0.85 0.70 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 37 T 8.53 5.00 4.25 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 1.31 0.00 0.00 38 I 8.41 4.06 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.31 0.92 0.00 0.00 39 V 8.52 4.35 2.12 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 0.77 0.00 0.00 1.00 0.00 0.00 40 A 7.70 4.57 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 41 V 8.50 4.88 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.10 0.00 0.00 42 T 7.83 4.41 4.20 0.00 0.00 0.00 0.00 0.00 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 43 K 8.75 3.86 0.00 1.69 1.90 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.56 7.81 44 D 7.34 4.82 0.00 2.81 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 45 P 0.00 4.15 0.00 2.20 2.02 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 46 N 8.05 4.32 0.00 2.48 2.74 0.00 0.00 6.82 7.65 0.00 0.00 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 W 7.71 4.63 0.00 3.10 2.89 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 48 Y 8.92 5.14 0.00 2.89 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 49 K 9.17 5.00 0.00 1.92 1.90 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 50 A 9.16 5.42 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 51 K 9.31 5.11 0.00 1.67 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.41 7.81 52 N 9.00 5.25 0.00 2.71 2.78 0.00 0.00 7.13 7.51 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 53 K 8.67 4.15 0.00 1.87 1.95 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 54 V 7.72 3.82 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 0.82 0.00 0.00 0.97 0.00 0.00 55 G 8.14 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.39 0.00 1.99 1.99 0.00 3.18 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 57 E 8.33 4.99 0.00 1.99 1.91 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 2.17 2.29 0.00 58 G 8.88 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.33 5.25 1.81 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 1.24 0.85 1.19 0.00 0.00 60 I 9.27 5.68 2.14 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 1.40 0.00 0.00 61 P 0.00 3.17 0.00 2.09 0.85 0.00 4.05 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.14 0.00 62 A 8.60 3.98 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.53 0.00 2.65 2.74 0.00 0.00 5.48 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.12 4.78 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.98 4.90 1.97 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 0.30 0.00 0.00 0.83 0.00 0.00 66 Q 9.27 4.55 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 67 K 8.42 4.51 0.00 1.73 1.63 0.00 1.34 0.00 0.00 1.35 0.00 0.00 2.67 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.29 7.81 68 R 8.68 3.87 0.00 1.82 1.91 0.00 3.31 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 69 E 7.66 4.16 0.00 2.03 1.70 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 2.21 2.25 0.00