NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 K 4.2670 8.1733 121.7885 56.8688 34.6159 177.2493 0 L 3.2259 8.0733 123.7798 55.2885 41.3703 177.6487 1 C 4.6166 10.2343 128.4282 60.2590 40.9133 175.2131 2 S 3.9956 8.0805 115.4842 60.0093 62.9333 174.0292 3 L 4.2256 8.2989 123.2898 54.0296 41.0528 175.5675 4 D 4.1854 9.1989 129.2772 55.3693 39.8561 173.3644 5 N 4.0789 8.3202 109.6912 53.2952 37.6483 174.3172 6 G 3.6379 8.6828 101.3583 45.7021 0.0000 174.4321 7 D 4.5538 8.1045 115.8681 54.5671 40.2299 173.2220 8 C 4.7063 7.8534 114.2148 55.8789 39.7736 173.8375 9 D 4.4931 8.7937 123.1486 56.8628 42.3552 177.9704 10 Q 4.4610 7.9640 111.3592 56.0171 30.5885 178.5452 11 F 4.7111 5.4600 126.6132 58.4415 40.5491 173.7458 12 C 5.4626 8.9976 123.3228 55.1362 44.4340 172.5757 13 H 5.0020 9.4010 122.3684 54.0960 32.6406 172.1693 14 E 4.8830 8.8948 122.4329 55.0566 30.7931 175.5649 15 E 4.4837 8.8484 125.0656 55.4200 31.7441 176.2802 16 Q 3.3523 9.1976 123.9406 57.2839 25.7058 173.3756 17 N 4.2834 8.6227 111.3878 54.4626 37.3753 172.8216 18 S 4.6957 7.5986 107.9290 55.9782 65.9726 172.0804 19 V 4.8367 8.1765 123.0471 61.2137 33.0143 175.1621 20 V 4.5057 9.2729 127.3945 60.2409 33.9612 174.1050 21 C 5.5004 8.8885 122.3638 55.8945 37.4272 172.5782 22 S 4.7584 8.8960 114.8618 57.8032 66.6418 171.8594 23 C 4.8598 8.4904 116.0706 54.6020 42.3418 173.9385 24 A 4.4637 8.2913 124.0993 51.5455 18.9218 177.0919 25 R 4.2355 8.3922 118.7138 57.4366 30.5333 177.4124 26 G 4.0685 9.2039 109.4616 45.2816 0.0000 172.2198 27 Y 5.3237 7.6417 115.8083 56.3287 42.0097 175.0276 28 T 4.7367 8.9049 110.7873 59.4574 72.3710 173.0762 29 L 4.4147 8.7277 126.6256 55.2747 42.7811 176.4688 30 A 4.3415 9.2547 128.4277 51.8086 19.4833 177.9702 31 D 4.3937 8.7852 118.3768 56.5521 40.9091 177.4140 32 N 4.5255 8.1326 115.0454 52.2955 37.9350 175.7713 33 G 3.9775 8.2433 107.0099 46.2216 0.0000 173.9969 34 K 4.4906 8.7496 118.2338 57.6378 35.5578 176.9123 35 A 4.8755 8.1935 120.5403 51.5449 19.9259 176.7475 36 C 5.1569 9.1607 117.9600 55.2719 42.0525 173.5659 37 I 4.6097 8.5811 125.2222 58.7583 38.8757 173.7121 38 P 3.9738 0.0000 0.0000 63.0805 31.2406 176.5015 39 T 4.0228 9.0126 119.1755 64.4260 68.0531 174.1614 40 G 4.0276 7.2640 107.4641 44.1413 0.0000 170.3718 41 P 4.1575 0.0000 0.0000 63.4673 32.6599 175.1763 42 Y 3.4768 7.6595 115.1972 58.6661 34.7008 167.9635 43 P 4.4316 0.0000 0.0000 61.9844 32.7721 176.4135 44 C 4.2909 8.5363 113.7675 59.2589 30.1053 174.2077 45 G 4.0777 8.8433 107.8257 46.0543 0.0000 173.1951 46 K 4.6106 7.4247 118.3465 53.9550 34.1186 176.2912 47 Q 4.1130 8.6455 123.6051 55.6183 29.2280 176.0552 48 T 4.0396 8.5198 113.4002 61.9567 68.9001 174.2634 49 L 4.3004 8.3770 126.6459 55.4671 42.5035 176.6855 50 E 4.5889 7.8684 121.1223 57.0419 28.8389 175.8181 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 K 8.17 4.27 0.00 1.80 1.74 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 0 L 8.07 3.23 0.00 2.09 1.04 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1 C 10.23 4.62 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.00 0.00 4.15 3.91 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 3 L 8.30 4.23 0.00 1.62 1.67 0.92 1.14 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 4 D 9.20 4.19 0.00 2.91 2.62 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 5 N 8.32 4.08 0.00 3.00 2.81 0.00 0.00 7.57 7.91 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 6 G 8.68 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 0.00 0.00 0.00 7 D 8.10 4.55 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.85 4.71 0.00 3.08 2.98 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 0.00 0.00 0.00 9 D 8.79 4.49 0.00 2.83 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 10 Q 7.96 4.46 0.00 1.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.92 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 11 F 5.46 4.71 0.00 3.06 2.89 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 12 C 9.00 5.46 0.00 3.06 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 13 H 9.40 5.00 0.00 3.24 3.16 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.89 4.88 0.00 1.85 1.91 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 2.25 2.32 0.00 15 E 8.85 4.48 0.00 1.99 1.84 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 2.22 2.26 0.00 16 Q 9.20 3.35 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 17 N 8.62 4.28 0.00 2.86 2.92 0.00 0.00 6.90 7.63 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 18 S 7.60 4.70 0.00 3.89 3.77 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 19 V 8.18 4.84 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 0.90 0.00 0.00 0.94 0.00 0.00 20 V 9.27 4.51 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 0.96 0.00 0.00 0.94 0.00 0.00 21 C 8.89 5.50 0.00 3.06 3.04 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 22 S 8.90 4.76 0.00 3.95 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 23 C 8.49 4.86 0.00 2.80 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 24 A 8.29 4.46 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 25 R 8.39 4.24 0.00 1.90 1.95 0.00 3.23 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 26 G 9.20 4.07 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 0.00 0.00 0.00 27 Y 7.64 5.32 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.90 4.74 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 1.22 0.00 0.00 29 L 8.73 4.41 0.00 1.67 1.64 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.25 4.34 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.79 4.39 0.00 2.68 2.74 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 0.00 0.00 0.00 32 N 8.13 4.53 0.00 2.80 2.92 0.00 0.00 6.08 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.24 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.75 4.49 0.00 1.65 1.97 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.56 7.81 35 A 8.19 4.88 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 36 C 9.16 5.16 0.00 2.64 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 37 I 8.58 4.61 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.91 0.00 0.00 38 P 0.00 3.97 0.00 1.74 1.58 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 39 T 9.01 4.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 40 G 7.26 4.03 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 0.00 0.00 0.00 41 P 0.00 4.16 0.00 2.21 1.88 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 42 Y 7.66 3.48 0.00 3.19 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 43 P 0.00 4.43 0.00 1.73 1.56 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.76 0.00 44 C 8.54 4.29 0.00 3.22 3.20 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 45 G 8.84 4.08 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 0.00 0.00 0.00 46 K 7.42 4.61 0.00 2.00 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.58 7.81 47 Q 8.65 4.11 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.52 4.04 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 1.53 0.00 0.00 49 L 8.38 4.30 0.00 1.62 1.74 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.87 4.59 0.00 2.02 1.85 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 1.99 2.11 0.00