NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5741 8.2233 120.5238 53.6694 42.4354 175.6969 2 S 3.3090 8.4757 115.6855 61.6795 61.9268 173.6160 3 E 3.5274 9.1915 122.4084 59.7927 29.3981 178.6833 4 M 4.1887 8.8467 119.3874 57.8367 31.9322 177.2199 5 C 4.2819 8.6249 115.4467 57.8717 40.6130 175.3401 6 K 3.9781 7.4350 119.8597 58.6462 32.9616 176.9716 7 D 4.7908 7.6334 117.0960 53.1607 41.7142 172.2793 8 Y 4.8894 7.7032 118.7076 54.9927 41.8242 175.1716 9 R 4.1017 7.8121 118.1997 54.7695 33.2068 174.2578 10 V 4.6674 7.7056 120.5829 61.4101 34.2866 173.8515 11 L 4.8077 8.1959 126.3378 51.8014 44.6577 175.4487 12 P 4.1398 0.0000 0.0000 65.3469 31.3570 177.5248 13 R 4.4015 7.8503 116.0715 56.9570 31.4405 177.3574 14 I 3.9769 7.9305 117.6839 62.0601 38.7462 177.3424 15 G 3.7535 8.5430 110.3262 46.6611 0.0000 171.9833 16 Y 4.6011 8.5712 123.9002 55.6106 40.9864 174.8741 17 L 4.7890 8.2459 125.1949 53.4530 44.0016 176.3105 18 C 5.1437 8.5334 122.3144 54.2110 44.2416 171.9085 19 P 4.5896 0.0000 0.0000 62.6901 31.6495 176.4918 20 K 4.1782 8.3040 116.9460 57.3670 32.5760 176.9591 21 D 4.3279 7.8931 119.3405 53.6408 41.3932 174.9696 22 L 4.1917 8.4475 129.2551 54.3454 42.1750 175.8634 23 K 4.6238 8.3623 125.8195 53.5685 34.9718 174.4064 24 P 5.2080 0.0000 0.0000 62.6324 32.3457 175.8947 25 V 4.9299 8.8631 117.7056 59.5062 35.3319 173.7625 26 C 5.0596 9.2423 123.4239 55.4186 45.4202 172.5634 27 G 4.6761 9.8115 113.7872 44.7918 0.0000 174.6454 28 D 4.6283 8.8978 123.6429 55.5675 39.6161 176.8406 29 D 4.6120 8.1624 118.6616 54.4563 40.8153 176.4872 30 G 3.8451 8.4192 107.1445 46.0089 0.0000 172.9959 31 Q 4.7186 7.8478 117.3647 53.9004 33.3933 174.1360 32 T 4.7629 7.8068 114.8994 62.2478 72.5966 173.4204 33 Y 4.1182 8.7624 122.8943 56.3865 40.2802 175.3289 34 N 4.0234 9.3785 121.3529 57.3897 39.3609 173.9608 35 N 4.9119 7.8248 120.0836 52.5412 40.7952 174.3877 36 P 4.3480 0.0000 0.0000 66.4466 31.3924 179.4712 37 C 4.2620 8.2386 118.4592 58.9791 44.7351 175.0008 38 M 3.7328 8.8441 120.3259 57.2618 31.3881 178.3684 39 L 3.2511 7.8765 121.7050 58.1511 42.2339 178.0990 40 C 4.0037 7.7498 117.7047 59.4615 42.2125 174.8071 41 H 3.4522 7.1668 119.9998 59.0688 29.5059 176.9337 42 E 4.0048 8.2614 120.7839 58.9584 29.2375 178.3119 43 N 4.4304 7.9117 116.4997 55.6242 38.4054 177.0508 44 L 3.9189 7.7418 121.6851 57.9416 42.2170 178.8277 45 I 3.9589 7.1791 118.1166 64.4139 37.3538 178.2833 46 R 4.0167 7.7855 117.4856 57.3612 30.2586 177.1898 47 Q 3.6581 9.0426 116.7236 57.5988 26.3892 174.0814 48 T 4.3088 8.0393 104.7316 60.5106 70.1148 173.4416 49 N 4.0035 7.9488 119.0708 55.1833 36.9489 173.9669 50 T 4.1603 7.3253 114.2404 63.7671 70.1521 174.3475 51 H 4.9240 8.7651 121.0890 53.7062 32.7169 173.2134 52 I 4.4375 7.7529 120.8824 61.4889 36.8906 176.6669 53 R 4.1624 9.8256 129.4280 59.2660 30.6493 176.2524 54 S 4.7781 7.6609 110.8546 57.1673 65.8553 174.1310 55 T 4.1631 8.4230 114.8288 62.7026 69.2787 175.2818 56 G 4.0375 8.7791 109.3215 44.9492 0.0000 173.3817 57 K 4.1687 8.0643 117.9202 55.9468 32.6432 178.2976 58 C 4.4626 8.0794 119.6246 57.4068 40.8086 173.8799 59 E 4.2035 8.3776 121.4895 56.5272 29.5820 175.2279 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 D 8.22 4.57 0.00 2.72 2.70 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 0.00 0.00 0.00 2 S 8.48 3.31 0.00 3.85 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 3 E 9.19 3.53 0.00 2.01 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 0.00 2.42 2.44 0.00 4 M 8.85 4.19 0.00 2.00 2.11 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 2.75 2.57 0.00 5 C 8.62 4.28 0.00 2.89 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 6 K 7.43 3.98 0.00 1.96 1.92 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.56 7.81 7 D 7.63 4.79 0.00 2.72 2.56 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 0.00 0.00 0.00 0.00 8 Y 7.70 4.89 0.00 2.99 3.01 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 0.00 0.00 0.00 9 R 7.81 4.10 0.00 1.54 1.62 0.00 3.13 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 10 V 7.71 4.67 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 1.44 0.00 0.00 0.93 0.00 0.00 11 L 8.20 4.81 0.00 1.73 1.53 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.14 0.00 2.18 2.19 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 13 R 7.85 4.40 0.00 1.81 2.01 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 14 I 7.93 3.98 1.93 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 1.33 0.48 0.88 0.00 0.00 15 G 8.54 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.57 4.60 0.00 3.19 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 17 L 8.25 4.79 0.00 1.57 1.51 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.53 5.14 0.00 2.95 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 19 P 0.00 4.59 0.00 2.18 2.08 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 20 K 8.30 4.18 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 21 D 7.89 4.33 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.19 0.00 1.63 1.58 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.36 4.62 0.00 1.63 1.70 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.35 7.81 24 P 0.00 5.21 0.00 2.23 2.20 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.84 0.00 25 V 8.86 4.93 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 0.79 0.00 0.00 1.06 0.00 0.00 26 C 9.24 5.06 0.00 3.11 3.13 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 27 G 9.81 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.90 4.63 0.00 2.82 2.85 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 29 D 8.16 4.61 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 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 31 Q 7.85 4.72 0.00 1.91 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 32 T 7.81 4.76 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 1.25 0.00 0.00 33 Y 8.76 4.12 0.00 2.93 2.86 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 34 N 9.38 4.02 0.00 2.76 2.75 0.00 0.00 6.77 6.90 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 35 N 7.82 4.91 0.00 2.68 2.70 0.00 0.00 7.03 7.69 0.00 0.00 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 P 0.00 4.35 0.00 2.28 2.28 0.00 3.75 0.00 0.00 3.87 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 37 C 8.24 4.26 0.00 3.03 3.23 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 38 M 8.84 3.73 0.00 2.06 2.19 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 2.56 2.47 0.00 39 L 7.88 3.25 0.00 1.34 1.55 -0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.75 4.00 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.17 3.45 0.00 2.65 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.26 4.00 0.00 2.26 2.17 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 2.45 2.43 0.00 43 N 7.91 4.43 0.00 2.71 2.73 0.00 0.00 6.19 6.16 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 44 L 7.74 3.92 0.00 1.90 1.85 1.23 1.60 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 45 I 7.18 3.96 1.87 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 1.49 0.77 0.91 0.00 0.00 46 R 7.79 4.02 0.00 1.90 2.01 0.00 3.37 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 47 Q 9.04 3.66 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 48 T 8.04 4.31 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 1.24 0.00 0.00 49 N 7.95 4.00 0.00 2.81 2.86 0.00 0.00 7.19 7.78 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 50 T 7.33 4.16 4.22 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 1.37 0.00 0.00 51 H 8.77 4.92 0.00 3.26 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.75 4.44 2.01 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 1.06 0.48 1.01 0.00 0.00 53 R 9.83 4.16 0.00 1.80 1.98 0.00 3.32 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 54 S 7.66 4.78 0.00 3.91 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 55 T 8.42 4.16 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 1.22 0.00 0.00 56 G 8.78 4.04 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 0.00 57 K 8.06 4.17 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 58 C 8.08 4.46 0.00 2.89 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 59 E 8.38 4.20 0.00 1.85 1.73 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 2.17 2.27 0.00