NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3027 8.4401 118.8041 55.6681 31.4222 176.5353 2 A 4.4324 7.6166 119.5168 51.4819 19.6157 175.2968 3 E 4.6263 8.6199 124.6375 55.1531 29.4539 175.3514 4 K 4.4223 7.8656 115.2192 56.2483 33.0657 177.6204 5 C 4.9984 7.8395 118.1648 55.7847 43.6323 171.8624 6 T 4.0449 8.5213 111.9386 62.6129 68.3764 176.0866 7 K 4.0223 8.8747 116.2465 54.9989 33.5401 175.1993 8 P 4.3381 0.0000 0.0000 63.6404 31.4121 174.2294 9 N 3.1400 8.2809 113.3981 53.6440 37.6363 172.5914 10 E 4.0977 8.0947 129.2647 57.4981 30.8351 176.1314 11 Q 4.6856 9.1252 125.3059 53.1456 33.4795 173.9638 12 W 4.5480 8.1861 132.5999 57.8151 31.5857 175.1680 13 T 4.4499 6.9041 120.4240 60.3941 70.0164 174.5162 14 K 4.0299 8.7385 126.5743 57.5429 32.7134 177.5081 15 C 4.6287 7.9109 118.5264 54.9513 41.4535 173.3116 16 G 3.8774 8.3276 124.7291 46.9449 0.0000 170.6636 17 G 3.8894 8.3204 111.8986 44.4004 0.0000 176.2558 18 C 4.6449 8.8072 119.6720 56.0886 37.8488 171.7071 19 E 4.1558 8.4248 122.4183 55.7445 33.2006 172.6986 20 G 4.7201 8.9623 104.1650 43.7383 0.0000 170.6046 21 T 4.5923 8.2986 108.2943 60.4902 71.6358 173.7152 22 C 3.8288 8.5503 118.8382 57.1725 43.0428 173.6520 23 A 4.5674 7.9618 118.0803 51.9702 20.9831 177.5245 24 Q 4.5125 8.0520 114.6878 53.8646 30.9956 174.6526 25 K 3.9203 8.8018 124.7705 58.7749 32.4913 176.2168 26 I 4.9701 7.6206 118.2830 59.2747 39.9501 175.3357 27 V 4.4330 8.0467 127.7896 59.1472 32.8085 174.4389 28 P 4.4353 0.0000 0.0000 63.6927 32.0048 176.9594 29 C 4.6291 8.3933 116.2062 56.5865 43.0399 175.0804 30 T 3.8031 8.6681 116.5690 64.3522 68.9194 176.2139 31 R 4.2496 7.0441 120.1752 55.8480 29.7452 173.4654 32 E 4.4937 7.8137 113.8445 56.9004 32.7826 176.2187 33 C 5.0308 7.6843 116.5901 56.5626 40.2574 173.9461 34 K 4.4673 8.1978 120.4607 54.9084 33.4590 175.0089 35 P 4.6055 0.0000 0.0000 61.9850 32.2258 174.6786 36 P 3.9868 0.0000 0.0000 63.2782 31.7468 175.8334 37 R 4.1435 6.8780 120.8052 55.4423 34.4276 172.7004 38 C 4.5721 8.9054 120.3621 57.5976 36.8495 173.0932 39 E 4.4918 8.6530 122.5044 56.1448 33.9011 173.7717 40 C 4.6669 8.7486 119.8382 56.2953 40.0163 174.1642 41 I 4.5280 7.9502 120.7185 59.3916 38.8557 176.1853 42 A 4.4319 9.2056 129.9294 54.5059 18.4688 179.6029 43 S 4.2804 8.2133 109.8270 60.4554 63.1024 174.7662 44 A 4.4336 9.2554 122.3117 53.5256 20.0114 176.3450 45 G 3.3186 7.2515 105.4905 45.1198 0.0000 172.7133 46 F 4.7292 8.2272 120.4291 56.4699 40.8584 175.3799 47 V 4.3447 8.8886 115.1430 59.5481 35.9657 174.3908 48 R 4.7338 7.8760 120.6261 54.8764 31.1819 176.5772 49 D 4.5153 9.1486 123.8641 53.0481 42.2149 176.7245 50 A 4.0699 8.6566 127.2779 55.7193 18.2830 178.4288 51 Q 4.3179 7.9947 112.5053 55.8399 28.4252 176.0218 52 G 3.9932 8.3492 105.1480 46.8728 0.0000 173.7317 53 N 4.9621 7.8335 115.8840 50.7977 41.6345 174.8315 54 C 5.0556 8.8715 125.2187 56.5950 41.3735 172.5658 55 I 5.4746 9.0621 119.1548 57.9577 40.8713 174.7996 56 K 3.8373 9.0693 122.8903 56.7986 32.9259 177.7379 57 F 3.8684 8.5355 123.6615 61.2574 39.3687 176.9175 58 E 4.2224 8.2237 118.9046 58.0919 29.5181 176.0819 59 D 4.8354 7.5307 117.0707 55.1631 40.9753 175.7142 60 C 4.7285 7.5840 116.4633 54.8296 41.7802 172.9093 61 P 4.4134 0.0000 0.0000 62.4467 31.2037 176.9033 62 K 4.1747 8.4999 117.5882 57.8504 32.7939 176.5794 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 E 8.44 4.30 0.00 2.10 2.13 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 2.22 2.29 0.00 2 A 7.62 4.43 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 3 E 8.62 4.63 0.00 1.98 1.94 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 2.50 2.34 0.00 4 K 7.87 4.42 0.00 1.59 1.71 0.00 1.32 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.32 7.81 5 C 7.84 5.00 0.00 3.02 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 6 T 8.52 4.04 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 1.22 0.00 0.00 7 K 8.87 4.02 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 P 0.00 4.34 0.00 2.23 2.16 0.00 3.92 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 2.02 2.02 0.00 9 N 8.28 3.14 0.00 2.82 2.65 0.00 0.00 6.85 7.76 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 10 E 8.09 4.10 0.00 1.79 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 2.24 2.24 0.00 11 Q 9.13 4.69 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 12 W 8.19 4.55 0.00 3.63 3.16 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 13 T 6.90 4.45 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 0.95 0.00 0.00 14 K 8.74 4.03 0.00 1.85 1.87 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.83 7.81 15 C 7.91 4.63 0.00 2.85 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 16 G 8.33 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 17 G 8.32 3.89 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 0.00 0.00 0.00 18 C 8.81 4.64 0.00 2.86 3.03 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 19 E 8.42 4.16 0.00 2.01 1.59 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 2.27 2.38 0.00 20 G 8.96 4.72 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 0.00 0.00 0.00 21 T 8.30 4.59 4.18 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 1.18 0.00 0.00 22 C 8.55 3.83 0.00 2.79 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 23 A 7.96 4.57 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 24 Q 8.05 4.51 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 25 K 8.80 3.92 0.00 1.97 1.91 0.00 1.86 0.00 0.00 2.14 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.71 7.81 26 I 7.62 4.97 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.08 0.92 0.00 0.00 27 V 8.05 4.43 2.13 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 0.80 0.00 0.00 0.93 0.00 0.00 28 P 0.00 4.44 0.00 2.09 2.10 0.00 3.80 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 1.99 2.01 0.00 29 C 8.39 4.63 0.00 2.95 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 30 T 8.67 3.80 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 1.21 0.00 0.00 31 R 7.04 4.25 0.00 1.89 1.95 0.00 3.09 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 32 E 7.81 4.49 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 33 C 7.68 5.03 0.00 2.77 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 34 K 8.20 4.47 0.00 1.66 1.64 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 35 P 0.00 4.61 0.00 1.92 1.99 0.00 3.91 0.00 0.00 3.62 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 P 0.00 3.99 0.00 2.28 2.09 0.00 3.99 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 37 R 6.88 4.14 0.00 1.73 1.53 0.00 3.09 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 38 C 8.91 4.57 0.00 2.91 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 39 E 8.65 4.49 0.00 1.78 1.64 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 2.04 2.08 0.00 40 C 8.75 4.67 0.00 2.97 3.17 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 0.00 41 I 7.95 4.53 1.98 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 1.02 0.00 0.00 42 A 9.21 4.43 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.28 0.00 3.92 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 44 A 9.26 4.43 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.25 3.32 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 0.00 46 F 8.23 4.73 0.00 3.23 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 47 V 8.89 4.34 1.69 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 -0.42 0.00 0.00 0.58 0.00 0.00 48 R 7.88 4.73 0.00 1.65 1.82 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 49 D 9.15 4.52 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.07 1.29 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 0.00 0.00 0.00 51 Q 7.99 4.32 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 52 G 8.35 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 53 N 7.83 4.96 0.00 2.61 2.70 0.00 0.00 6.60 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 54 C 8.87 5.06 0.00 2.95 2.96 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 55 I 9.06 5.47 1.91 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 1.37 2.01 1.00 0.00 0.00 56 K 9.07 3.84 0.00 1.83 1.64 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.87 1.72 7.81 57 F 8.54 3.87 0.00 3.18 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 58 E 8.22 4.22 0.00 1.98 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 2.31 2.34 0.00 59 D 7.53 4.84 0.00 2.92 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 60 C 7.58 4.73 0.00 3.21 3.07 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 0.00 0.00 0.00 61 P 0.00 4.41 0.00 2.07 2.06 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 62 K 8.50 4.17 0.00 1.87 1.80 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.44 7.81