NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 3.8118 8.1233 122.3887 51.4738 20.9110 174.8678 2 W 5.2098 8.8405 116.1350 54.2257 33.2107 173.4632 3 K 4.9468 9.3979 122.6384 54.9740 35.4304 174.7371 4 V 5.0553 8.5935 127.0997 61.4056 33.7197 174.7354 5 S 4.8459 8.7251 120.2272 56.7642 66.8990 172.7428 6 V 4.8031 8.2740 120.8864 61.0155 34.1496 174.3104 7 D 4.5577 9.1888 128.5889 54.0870 41.3906 176.8382 8 Q 4.2087 8.9629 125.7142 57.8823 28.8072 177.2557 9 D 4.6429 8.4530 119.8998 56.3264 41.6455 178.4595 10 T 4.0606 7.8989 115.0556 65.3999 69.2361 175.0616 11 C 3.9675 7.5000 119.6831 60.1763 32.3164 173.1561 12 I 4.4716 8.0759 117.8295 60.0505 37.7471 175.6176 13 G 4.4322 8.2611 106.0983 46.3902 0.0000 175.3438 14 D 4.1887 7.5521 119.2381 55.0298 41.4817 176.6892 15 A 3.7142 8.1034 119.1021 53.0991 16.3777 178.7901 16 I 3.7517 7.2875 120.0337 64.6406 37.7622 178.0507 17 C 3.7953 7.7533 115.1964 61.2944 29.4333 175.6372 18 A 4.1884 7.7730 121.5912 54.0962 18.0133 179.2569 19 S 4.1772 7.4260 111.6352 61.6999 62.6657 176.0165 20 L 4.2739 7.6141 120.0192 56.4038 42.9736 176.6718 21 C 5.0214 8.5663 118.8388 53.9166 43.3249 172.2831 22 P 4.2806 0.0000 0.0000 64.6666 31.7365 178.3735 23 D 4.4828 8.0647 118.1561 56.1825 41.1266 176.9717 24 V 3.9062 7.6816 118.0528 63.1890 33.3783 175.5880 25 F 5.3460 8.1985 117.5847 55.6446 41.8759 174.7364 26 E 4.8484 8.9298 118.3509 55.3366 33.4330 173.7604 27 M 4.7258 8.6235 120.5759 54.7136 33.6022 176.0608 28 N 4.8969 8.6189 120.8728 51.2869 39.9585 175.2233 29 D 4.4445 8.5262 116.6725 57.1553 40.9053 177.1706 30 E 4.2430 8.3831 116.6166 55.9065 30.1027 176.3659 31 G 3.8789 8.2335 107.6885 46.5798 0.0000 173.6033 32 K 4.6856 8.2603 117.4243 53.5010 35.4589 175.6999 33 A 4.7594 8.2616 122.0499 52.5611 19.7155 176.7629 34 Q 4.6645 8.5065 117.5128 54.2754 33.1737 171.7245 35 P 4.5215 0.0000 0.0000 63.3640 31.2525 176.2323 36 K 4.1648 9.6320 126.0105 58.4708 32.7130 177.0968 37 V 4.5162 7.5708 110.3526 59.6568 34.7995 175.0462 38 E 4.5074 8.5306 118.9813 56.5204 30.2033 176.4887 39 V 4.7408 7.2468 117.2812 61.4903 34.7239 173.1506 40 I 4.7105 8.7948 126.2024 59.6544 40.0300 175.8386 41 E 4.4546 8.8783 124.1599 56.5511 31.9805 176.3541 42 D 4.5573 8.0474 118.1153 54.1154 42.9361 176.4694 43 E 4.2343 8.9452 126.3780 58.9009 29.8296 178.6609 44 E 4.0883 9.2992 119.3168 59.1089 29.7266 178.8420 45 L 4.0228 8.0193 118.6408 57.8120 41.7448 178.7242 46 Y 3.8814 7.8066 119.4899 60.5189 38.5981 177.7925 47 N 3.9459 7.7493 117.3557 56.1932 38.5980 174.8422 48 C 4.3560 8.2139 114.9589 57.6805 42.7970 175.7985 49 A 4.1106 7.8488 123.9887 55.0474 17.8877 179.4362 50 K 3.7393 7.7419 117.9630 59.0683 31.7516 178.7611 51 E 3.8669 7.7812 119.3941 58.8487 29.4516 178.6389 52 A 3.8516 8.1107 121.1976 55.3077 18.2683 179.1085 53 M 3.8412 7.9204 115.6534 58.9167 32.2687 177.7386 54 E 4.0290 7.8766 117.7423 58.3147 29.8791 177.7328 55 A 4.3746 7.2386 119.1677 52.3388 19.3677 177.0192 56 C 3.8402 7.7369 118.8654 59.2573 31.7179 172.8265 57 P 4.3337 0.0000 0.0000 64.7987 31.1508 177.2380 58 V 4.2617 7.5015 110.1464 60.2684 32.4909 175.2168 59 S 3.6569 7.6446 114.2427 59.6730 60.7402 173.0155 60 A 4.2983 7.8969 120.7057 53.2629 19.7362 177.8774 61 I 4.9834 7.6167 116.7240 59.8490 38.7435 175.3402 62 T 4.8600 8.6325 115.7013 59.9535 72.6077 172.7995 63 I 4.9368 8.3361 122.5215 59.7546 40.5004 174.2896 64 E 4.7456 9.4132 128.5827 54.6246 31.7955 174.0256 65 E 5.0876 8.8700 125.9224 54.2350 32.4826 175.2756 66 A 4.3302 8.1271 126.8137 52.0652 18.9581 175.6758 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 A 8.12 3.81 1.27 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 0.00 0.00 0.00 2 W 8.84 5.21 0.00 3.40 2.99 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 3 K 9.40 4.95 0.00 1.86 1.65 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.59 5.06 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 1.01 0.00 0.00 0.94 0.00 0.00 5 S 8.73 4.85 0.00 3.86 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 6 V 8.27 4.80 2.15 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 0.83 0.00 0.00 1.10 0.00 0.00 7 D 9.19 4.56 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 8 Q 8.96 4.21 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 9 D 8.45 4.64 0.00 2.78 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 10 T 7.90 4.06 4.24 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 1.23 0.00 0.00 11 C 7.50 3.97 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 12 I 8.08 4.47 1.86 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 1.32 0.78 0.94 0.00 0.00 13 G 8.26 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.55 4.19 0.00 2.68 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 15 A 8.10 3.71 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 3.75 1.99 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 1.52 1.13 0.81 0.00 0.00 17 C 7.75 3.80 0.00 1.85 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 18 A 7.77 4.19 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 19 S 7.43 4.18 0.00 3.89 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 20 L 7.61 4.27 0.00 1.68 1.69 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.57 5.02 0.00 3.06 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.24 2.31 0.00 3.85 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 2.01 2.00 0.00 23 D 8.06 4.48 0.00 2.67 2.75 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 24 V 7.68 3.91 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.79 0.00 0.00 25 F 8.20 5.35 0.00 2.95 2.91 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 0.00 0.00 0.00 26 E 8.93 4.85 0.00 2.05 2.02 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 2.37 2.32 0.00 27 M 8.62 4.73 0.00 1.93 2.04 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 2.57 2.49 0.00 28 N 8.62 4.90 0.00 3.02 3.14 0.00 0.00 6.78 7.68 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 29 D 8.53 4.44 0.00 2.70 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 30 E 8.38 4.24 0.00 2.09 1.99 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 2.29 2.36 0.00 31 G 8.23 3.88 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 0.00 0.00 0.00 32 K 8.26 4.69 0.00 1.91 1.69 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.52 7.81 33 A 8.26 4.76 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 34 Q 8.51 4.66 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 35 P 0.00 4.52 0.00 2.24 2.13 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 36 K 9.63 4.16 0.00 1.57 1.86 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.45 7.81 37 V 7.57 4.52 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 0.78 0.00 0.00 0.91 0.00 0.00 38 E 8.53 4.51 0.00 1.92 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 0.00 2.24 2.33 0.00 39 V 7.25 4.74 2.09 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 0.77 0.00 0.00 0.93 0.00 0.00 40 I 8.79 4.71 2.18 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 1.22 0.76 1.15 0.00 0.00 41 E 8.88 4.45 0.00 1.89 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 0.00 2.17 2.29 0.00 42 D 8.05 4.56 0.00 2.81 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 43 E 8.95 4.23 0.00 2.22 2.02 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 2.49 2.59 0.00 44 E 9.30 4.09 0.00 2.12 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 2.33 2.37 0.00 45 L 8.02 4.02 0.00 1.73 1.72 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.81 3.88 0.00 2.31 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 47 N 7.75 3.95 0.00 2.86 2.73 0.00 0.00 6.77 8.68 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 48 C 8.21 4.36 0.00 3.15 3.30 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 49 A 7.85 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 3.74 0.00 1.12 1.35 0.00 1.24 0.00 0.00 1.31 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.26 7.81 51 E 7.78 3.87 0.00 2.22 2.06 0.00 0.00 0.00 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 2.31 0.00 52 A 8.11 3.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.92 3.84 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 54 E 7.88 4.03 0.00 2.11 1.90 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 2.28 2.33 0.00 55 A 7.24 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 7.74 3.84 0.00 2.83 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 57 P 0.00 4.33 0.00 2.19 2.13 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 1.95 2.14 0.00 58 V 7.50 4.26 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 0.75 0.00 0.00 0.92 0.00 0.00 59 S 7.64 3.66 0.00 3.98 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 60 A 7.90 4.30 1.28 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 0.00 0.00 61 I 7.62 4.98 1.84 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 1.04 0.00 0.00 62 T 8.63 4.86 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 63 I 8.34 4.94 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 1.13 0.00 0.00 64 E 9.41 4.75 0.00 2.09 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 2.26 2.27 0.00 65 E 8.87 5.09 0.00 2.18 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 2.01 1.82 0.00 66 A 8.13 4.33 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