NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4262 0.0000 0.0000 62.3302 31.7639 176.3262 2 V 2.0000 8.1650 124.9784 64.6440 31.2497 176.3110 3 H 4.1205 7.9412 118.8713 57.9935 30.7268 174.9487 4 L 4.6441 7.4245 117.2268 54.6854 40.7903 176.0412 5 W 4.4682 8.0258 120.1308 57.6906 29.3332 176.4679 6 G 4.0906 8.8719 112.1570 45.0474 0.0000 173.6617 7 T 4.0134 8.5947 113.2539 65.3253 66.9395 175.3069 8 E 4.0218 8.1317 120.2498 58.5163 29.5199 178.2734 9 E 3.5705 8.2353 119.4625 58.9943 29.4248 179.2050 10 V 3.6306 7.7359 117.5435 65.9466 31.6040 177.2880 11 A 3.9808 7.5751 120.2903 55.6403 18.1186 178.9232 12 A 3.7084 7.6480 118.0717 55.3483 18.1927 179.4491 13 W 4.3586 7.5192 125.5422 60.7666 30.8950 178.1491 14 L 3.3692 8.1844 118.5934 57.7610 40.9598 179.3307 15 E 3.9898 8.1811 118.8488 59.1175 29.2884 178.2148 16 H 4.4438 8.1598 115.5578 57.4571 28.9339 176.3771 17 L 4.2179 6.8935 118.6268 53.2987 42.4238 175.9932 18 S 3.7783 7.5645 113.7883 60.2414 60.3670 171.2042 19 L 4.8637 7.9616 115.8508 53.9604 42.9656 179.3201 20 C 3.9849 8.3143 119.1158 62.8763 27.8350 174.7255 21 E 3.9802 7.9976 116.1255 58.0503 29.3151 177.1754 22 Y 4.6955 7.9492 116.9526 57.8060 39.3012 177.2234 23 K 3.9932 8.2415 119.9512 60.3989 32.3754 177.3784 24 D 4.3795 8.5154 118.9622 56.3390 40.4682 178.0780 25 I 3.8326 8.0199 113.2964 64.9959 37.8716 178.2650 26 F 4.1232 8.5896 118.9236 59.6917 38.4092 177.5620 27 T 4.2701 8.0348 116.2870 65.0549 69.1229 176.1330 28 R 4.0547 8.0934 119.2790 60.0960 30.2072 178.8787 29 H 4.1461 8.9475 109.5522 55.7619 28.3083 175.2588 30 D 4.3762 8.1318 118.0912 55.3504 39.7867 176.1790 31 I 3.9815 7.5096 119.1597 61.1331 35.6129 177.3673 32 R 4.4335 8.1690 125.1501 55.4302 32.4403 176.1270 33 G 3.9664 9.2592 106.1443 48.5743 0.0000 175.5375 34 S 4.1928 8.1651 115.4485 60.8883 62.7842 176.6542 35 G 3.8972 7.6209 108.0788 47.6447 0.0000 174.9201 36 L 3.9637 7.7342 121.4081 57.7953 41.5536 179.7558 37 L 3.9226 7.3484 116.5272 57.1440 41.8087 177.6789 38 H 4.8317 8.0522 113.4799 54.7063 30.3553 173.6693 39 L 4.2257 8.1055 120.7248 55.3121 42.0570 176.4943 40 E 4.7962 9.9628 122.1701 54.2228 33.1869 177.5694 41 R 3.7955 8.4446 121.1288 59.6699 30.3812 178.7586 42 R 3.9189 7.9949 117.4251 59.3560 30.0809 178.3230 43 D 4.3752 8.2412 118.9549 57.6779 40.9697 179.1992 44 L 3.8885 7.8506 118.6121 57.7355 41.5524 179.5882 45 K 4.2216 8.0906 118.4906 59.6027 31.7450 179.1991 46 D 4.4071 8.7441 119.5732 56.9387 40.8654 177.9707 47 L 4.0616 8.1703 117.5199 55.3318 41.6876 177.1151 48 G 4.1562 7.7708 108.2096 45.3648 0.0000 174.8673 49 V 3.9550 7.3245 118.9748 63.3748 32.0169 175.4915 50 T 4.3976 8.4994 113.6474 62.1656 70.6954 174.3997 51 K 3.9925 8.2146 122.3170 56.3714 32.4818 177.6826 52 V 3.6369 8.3295 124.5320 66.1069 31.6222 177.8268 53 G 4.1186 8.2224 104.6840 47.6131 0.0000 174.3194 54 H 4.5633 9.4152 118.0003 58.1316 29.4587 177.0345 55 M 4.0124 7.9727 119.9134 58.4408 31.8570 178.6316 56 K 4.1565 8.4807 118.6506 59.6840 32.4111 179.1305 57 R 3.9284 7.6838 118.6227 59.5981 29.6584 178.6370 58 I 3.7794 8.1600 118.5971 64.5018 37.5068 177.8310 59 L 4.2215 8.8455 120.9968 58.4401 41.4158 179.6017 60 C 4.3975 8.9290 116.7883 62.4339 27.8787 176.2506 61 G 3.9869 7.9972 106.3981 47.4409 0.0000 175.6499 62 I 3.8930 7.7067 121.8860 64.3689 37.1152 178.4543 63 K 3.9661 8.0787 118.6711 59.0484 31.6743 177.8557 64 E 4.3564 8.3459 117.2071 56.7981 29.7504 177.0329 65 L 4.4601 7.7150 117.8827 57.1428 42.8151 178.4176 66 S 4.1944 7.6882 112.4113 61.0763 63.7006 173.9663 67 R 4.0110 7.4062 126.3632 55.8419 29.7879 175.8267 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 P 0.00 4.43 0.00 2.26 2.34 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 2 V 8.17 2.00 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 -0.39 0.00 0.00 0.27 0.00 0.00 3 H 7.94 4.12 0.00 3.02 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.42 4.64 0.00 1.68 1.62 1.01 1.53 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 5 W 8.03 4.47 0.00 3.40 3.15 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 6 G 8.87 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 0.00 0.00 0.00 7 T 8.59 4.01 4.29 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 1.24 0.00 0.00 8 E 8.13 4.02 0.00 2.10 1.87 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 2.35 2.42 0.00 9 E 8.24 3.57 0.00 2.09 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 2.29 2.09 0.00 10 V 7.74 3.63 2.42 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 1.41 0.00 0.00 1.31 0.00 0.00 11 A 7.58 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 3.71 1.09 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 0.00 0.00 13 W 7.52 4.36 0.00 3.23 3.65 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 0.00 0.00 0.00 0.00 14 L 8.18 3.37 0.00 1.83 1.51 0.50 0.09 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 15 E 8.18 3.99 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 16 H 8.16 4.44 0.00 3.16 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 6.89 4.22 0.00 1.23 1.35 -0.39 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.56 3.78 0.00 3.90 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 19 L 7.96 4.86 0.00 1.54 1.70 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.31 3.98 0.00 2.90 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 21 E 8.00 3.98 0.00 1.76 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 2.07 1.57 0.00 22 Y 7.95 4.70 0.00 3.00 2.92 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 23 K 8.24 3.99 0.00 1.77 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 24 D 8.52 4.38 0.00 2.83 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 25 I 8.02 3.83 1.99 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.39 1.04 0.00 0.00 26 F 8.59 4.12 0.00 3.37 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 4.27 4.57 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 1.26 0.00 0.00 28 R 8.09 4.05 0.00 2.06 1.96 0.00 3.20 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 29 H 8.95 4.15 0.00 3.05 3.30 0.00 6.00 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.13 4.38 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 31 I 7.51 3.98 2.15 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 0.96 0.00 0.00 32 R 8.17 4.43 0.00 1.85 1.92 0.00 3.37 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.66 0.00 33 G 9.26 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 34 S 8.17 4.19 0.00 4.05 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 0.00 35 G 7.62 3.90 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 0.00 0.00 0.00 36 L 7.73 3.96 0.00 1.77 1.52 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.35 3.92 0.00 1.75 1.56 0.74 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.05 4.83 0.00 3.00 3.26 0.00 5.87 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 39 L 8.11 4.23 0.00 1.64 1.65 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.96 4.80 0.00 1.85 1.80 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 2.21 2.45 0.00 41 R 8.44 3.80 0.00 1.89 1.92 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 42 R 7.99 3.92 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 43 D 8.24 4.38 0.00 2.73 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 44 L 7.85 3.89 0.00 1.87 1.74 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.09 4.22 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 46 D 8.74 4.41 0.00 2.67 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 47 L 8.17 4.06 0.00 1.72 1.61 -0.15 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.77 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 49 V 7.32 3.95 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 0.70 0.00 0.00 0.65 0.00 0.00 50 T 8.50 4.40 4.28 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 1.30 0.00 0.00 51 K 8.21 3.99 0.00 1.61 1.65 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.51 7.81 52 V 8.33 3.64 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 0.96 0.00 0.00 0.94 0.00 0.00 53 G 8.22 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 0.00 0.00 0.00 0.00 54 H 9.42 4.56 0.00 3.37 3.21 0.00 5.66 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 55 M 7.97 4.01 0.00 2.07 2.24 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 2.71 2.66 0.00 56 K 8.48 4.16 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.61 7.81 57 R 7.68 3.93 0.00 1.98 2.05 0.00 2.94 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 58 I 8.16 3.78 2.11 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 1.31 0.00 0.00 59 L 8.85 4.22 0.00 1.76 1.78 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.93 4.40 0.00 3.00 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 61 G 8.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.89 2.14 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 1.94 0.91 0.82 0.00 0.00 63 K 8.08 3.97 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 E 8.35 4.36 0.00 2.10 2.25 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 2.37 2.39 0.00 65 L 7.71 4.46 0.00 1.70 1.44 0.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.69 4.19 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.41 4.01 0.00 2.09 1.82 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00