NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4680 0.0000 0.0000 62.6324 33.7056 174.4822 2 H 5.2080 8.6478 121.3173 53.2199 32.0932 171.1412 3 I 4.4302 8.7629 127.4990 59.5148 40.0017 173.6340 4 D 5.2495 8.6147 125.8003 52.4685 43.6494 174.7115 5 I 4.4789 8.6390 126.9723 59.6491 39.4760 174.5656 6 K 5.2888 8.7407 127.0757 54.8657 33.9971 175.4839 7 C 4.7248 9.0082 118.4946 56.7585 33.6670 173.2734 8 F 5.4922 8.6403 117.8584 55.7722 39.5434 173.8207 9 P 4.6368 0.0000 0.0000 64.0956 31.0308 175.6000 10 R 4.6447 9.3069 122.0001 54.1833 33.8113 174.3766 11 E 4.4552 8.6009 119.9714 54.6041 30.1344 175.5189 12 L 4.7848 8.1966 126.5007 52.2369 44.7420 176.7513 13 D 4.7167 9.8969 126.2121 52.5871 42.1416 176.7476 14 E 4.0517 8.6361 117.6631 59.4456 29.2063 179.4210 15 Q 4.0876 8.1611 117.9377 58.7095 28.8922 178.1938 16 Q 4.0100 8.8462 119.6852 58.7051 28.6938 178.8146 17 K 3.9555 8.1086 119.4277 59.4682 32.0661 179.3153 18 A 3.9894 8.0088 120.6471 54.8906 18.3608 179.6125 19 A 3.8977 8.2260 119.4819 55.1711 18.5086 179.5045 20 L 3.8747 8.1985 118.9366 58.3287 42.1596 178.9229 21 A 3.9733 8.1816 120.4350 55.3400 18.3174 179.5350 22 A 3.9750 8.2744 119.2488 55.3063 18.4109 179.6082 23 D 4.3714 8.0795 117.0865 57.1747 40.8675 179.1323 24 I 3.6819 7.7672 120.4225 64.7086 37.1346 178.1991 25 T 3.8618 7.9153 116.6251 66.8912 68.3492 175.6700 26 D 4.3222 7.9877 119.4606 57.5356 41.1346 178.6061 27 V 3.6437 7.6032 117.9697 66.1302 31.4609 177.9693 28 I 3.7172 7.9580 119.5687 64.3934 36.9491 178.5220 29 I 3.7691 7.9770 120.6542 64.4933 36.7631 178.7158 30 R 3.8700 7.7639 117.3598 59.6315 29.9833 178.4688 31 H 4.4966 8.3262 114.6410 57.4561 29.0940 176.2478 32 L 4.4589 8.0325 117.6076 53.6327 42.6996 175.6928 33 N 4.2308 7.7542 115.2909 54.4036 36.2487 173.8053 34 S 4.6426 7.7435 112.5367 57.3359 65.3302 174.1978 35 K 4.5564 7.9938 120.2110 54.8151 34.0126 177.6352 36 D 4.3722 8.6293 121.2082 57.4038 41.3880 178.8370 37 S 4.2153 7.9699 112.4248 61.1083 63.1466 175.1852 38 S 4.3250 7.6866 115.0948 59.6627 62.8945 173.6957 39 I 4.8193 7.4058 122.0245 59.7260 38.5502 175.4425 40 S 4.8743 8.9318 120.6729 56.6867 66.5967 173.0522 41 I 4.8440 8.3570 121.3068 59.7631 40.8261 174.2657 42 A 4.8331 9.1961 128.5643 50.0499 22.1327 175.3607 43 L 5.0473 8.4470 121.4714 53.6244 44.7205 175.3835 44 Q 4.7225 9.2471 126.6208 54.2383 31.2844 174.8017 45 Q 5.1140 8.7527 122.9976 54.6632 30.4183 174.9395 46 I 4.5750 9.0883 125.6268 59.4245 39.5102 175.7983 47 Q 4.3217 8.9107 125.2058 55.4036 29.3865 175.6684 48 P 3.7611 0.0000 0.0000 65.6163 31.3874 177.0506 49 E 4.5734 8.1547 113.6418 56.4014 29.4856 176.1850 50 S 4.9034 8.4399 116.0005 58.2326 63.6315 176.1913 51 W 4.3164 8.5886 132.7706 60.0737 30.4568 176.8942 52 Q 4.0806 8.5074 119.3124 59.4487 28.4096 178.3703 53 A 4.0124 7.6066 121.9000 55.0816 18.3771 179.7570 54 I 3.4033 7.1737 117.9926 63.9473 37.1052 178.2081 55 W 4.0228 8.0207 129.3069 60.6311 30.3518 177.8345 56 D 4.4792 8.3788 117.6313 56.6798 40.3179 177.9127 57 A 4.2655 7.6939 120.0206 53.6606 19.3980 178.2230 58 E 4.2928 8.2727 115.2930 57.9845 31.3477 178.2740 59 I 3.6600 7.1671 118.9220 63.5638 37.4984 177.5784 60 A 3.3982 7.4040 121.4474 55.0021 18.0042 177.7547 61 P 4.1862 0.0000 0.0000 64.9304 31.6267 177.2373 62 Q 4.5350 7.4338 114.2875 55.6515 29.5718 176.9238 63 M 3.6867 7.8510 120.4572 58.8200 32.1936 177.5468 64 E 4.0222 8.0570 117.0409 58.7863 30.0091 177.2677 65 A 4.1055 7.8056 119.5834 53.4992 18.9809 177.3309 66 L 3.9670 7.6863 117.5336 54.9521 41.7753 178.2058 67 I 3.7635 8.2947 116.9412 62.2744 37.9050 176.3005 68 K 4.2345 7.3036 122.1357 55.3105 32.9856 175.1843 69 K 4.1186 8.3211 125.8659 55.2597 32.7281 175.6936 70 P 4.3217 0.0000 0.0000 62.4929 31.9011 176.7893 71 G 3.6187 8.4717 110.5883 48.8235 0.0000 174.3162 72 Y 4.3954 7.6172 117.3503 56.9012 38.4474 175.0239 73 S 4.2046 8.1711 111.6197 58.0096 65.5669 175.0594 74 M 4.3999 6.3497 124.4819 53.3765 30.5121 174.2286 75 N 4.5577 7.6137 117.3083 53.7538 40.7233 173.9156 76 A 4.1986 8.0536 127.7358 52.1421 18.7757 175.9178 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 4.47 0.00 2.10 2.04 0.00 3.51 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 2 H 8.65 5.21 0.00 3.16 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.76 4.43 1.82 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 1.09 0.29 0.88 0.00 0.00 4 D 8.61 5.25 0.00 2.60 2.49 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 0.00 5 I 8.64 4.48 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.94 0.00 0.00 6 K 8.74 5.29 0.00 1.69 1.78 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.61 7.81 7 C 9.01 4.72 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 5.49 0.00 2.94 2.88 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 0.00 0.00 0.00 9 P 0.00 4.64 0.00 2.12 2.18 0.00 3.98 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 10 R 9.31 4.64 0.00 1.77 1.86 0.00 3.32 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 11 E 8.60 4.46 0.00 1.90 1.86 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 2.21 2.37 0.00 12 L 8.20 4.78 0.00 1.62 1.54 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.90 4.72 0.00 2.89 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 14 E 8.64 4.05 0.00 2.00 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 2.41 2.35 0.00 15 Q 8.16 4.09 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 16 Q 8.85 4.01 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 17 K 8.11 3.96 0.00 1.99 1.87 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.60 7.81 18 A 8.01 3.99 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 19 A 8.23 3.90 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.87 0.00 1.82 1.92 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.18 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 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 23 D 8.08 4.37 0.00 2.74 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 24 I 7.77 3.68 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.85 0.91 0.00 0.00 25 T 7.92 3.86 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 26 D 7.99 4.32 0.00 2.90 2.87 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 27 V 7.60 3.64 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 1.11 0.00 0.00 1.00 0.00 0.00 28 I 7.96 3.72 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.74 0.92 0.00 0.00 29 I 7.98 3.77 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.96 0.00 0.00 30 R 7.76 3.87 0.00 1.95 1.87 0.00 3.10 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 31 H 8.33 4.50 0.00 3.22 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.03 4.46 0.00 1.75 1.69 0.92 1.28 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 33 N 7.75 4.23 0.00 2.87 2.87 0.00 0.00 6.89 7.58 0.00 0.00 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 7.74 4.64 0.00 3.86 3.80 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 35 K 7.99 4.56 0.00 1.81 1.71 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 36 D 8.63 4.37 0.00 2.67 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 37 S 7.97 4.22 0.00 4.02 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 38 S 7.69 4.33 0.00 3.99 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 39 I 7.41 4.82 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.92 0.00 0.00 40 S 8.93 4.87 0.00 3.93 3.94 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 0.00 0.00 0.00 0.00 41 I 8.36 4.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.94 0.00 0.00 42 A 9.20 4.83 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 43 L 8.45 5.05 0.00 1.63 1.56 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.25 4.72 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 45 Q 8.75 5.11 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 46 I 9.09 4.58 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.24 1.14 0.00 0.00 47 Q 8.91 4.32 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 48 P 0.00 3.76 0.00 1.95 1.93 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 49 E 8.15 4.57 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 50 S 8.44 4.90 0.00 3.97 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 51 W 8.59 4.32 0.00 3.68 3.22 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 52 Q 8.51 4.08 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.77 0.00 53 A 7.61 4.01 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 54 I 7.17 3.40 0.56 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.24 0.00 0.00 55 W 8.02 4.02 0.00 3.67 3.28 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 0.00 56 D 8.38 4.48 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.27 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 58 E 8.27 4.29 0.00 1.79 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 2.10 2.31 0.00 59 I 7.17 3.66 1.26 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.17 0.00 0.00 60 A 7.40 3.40 1.02 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 61 P 0.00 4.19 0.00 1.91 2.08 0.00 3.33 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 62 Q 7.43 4.54 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.64 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 63 M 7.85 3.69 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 64 E 8.06 4.02 0.00 1.91 1.92 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 2.27 2.34 0.00 65 A 7.81 4.11 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 66 L 7.69 3.97 0.00 1.80 1.65 0.79 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.29 3.76 1.85 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 1.27 0.50 0.89 0.00 0.00 68 K 7.30 4.23 0.00 1.81 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 69 K 8.32 4.12 0.00 1.76 1.70 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.40 7.81 70 P 0.00 4.32 0.00 1.37 1.87 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 71 G 8.47 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.62 4.40 0.00 3.04 3.05 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 73 S 8.17 4.20 0.00 3.87 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 74 M 6.35 4.40 0.00 1.76 1.65 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.00 75 N 7.61 4.56 0.00 2.92 2.85 0.00 0.00 7.41 7.96 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 76 A 8.05 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00