NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.4110 8.1976 109.7123 42.7479 0.0000 175.2503 5 H 3.8415 7.9149 116.1349 55.5195 28.6283 173.9540 6 S 4.8638 7.2608 113.5107 57.2929 68.0549 177.3557 7 L 3.4644 8.3266 119.4413 58.8873 41.5056 179.6028 8 Q 4.0370 8.2335 118.9575 59.4692 28.7466 177.7280 9 D 4.4553 9.1845 120.8343 57.1316 40.8419 176.9267 10 P 4.2784 0.0000 0.0000 65.7074 31.5441 177.9900 11 Y 4.0006 7.7031 117.0911 60.9266 38.7332 178.4252 12 L 3.8176 7.9113 119.7610 57.5966 41.5557 179.1709 13 N 4.5742 8.8539 116.8708 56.7023 38.5211 177.5495 14 T 3.8289 8.2078 117.3485 66.7072 68.5416 176.7071 15 L 3.8893 7.5600 120.5447 57.5642 41.6213 179.7456 16 R 4.2275 7.9501 119.9669 58.9478 29.9372 178.3638 17 K 3.8587 8.1820 117.0735 59.9548 32.1396 178.1013 18 E 4.1614 8.2554 114.5580 56.2195 29.4355 177.1003 19 R 3.6881 7.4933 117.0363 57.0180 28.2956 176.9667 20 V 3.7896 7.7781 117.0622 61.9514 32.4985 174.4018 21 P 4.5238 0.0000 0.0000 63.4636 32.3234 175.7251 22 V 4.9170 8.9940 116.9049 59.6534 36.4299 174.5276 23 S 5.0887 9.1472 119.3864 56.8948 65.6468 173.1259 24 I 4.8698 8.6742 126.1594 59.8505 39.3043 174.2263 25 Y 4.7908 8.9663 125.9774 56.9287 39.3256 175.6646 26 L 4.9014 8.8926 124.7726 53.7128 43.4142 178.5096 27 V 3.7470 8.8624 114.9497 63.4905 31.5502 176.9668 28 N 4.8948 8.2992 116.3230 52.2986 37.5028 174.3132 29 G 4.2420 8.6960 110.2339 46.0170 0.0000 175.1264 30 I 3.7228 7.7804 120.6473 61.7986 38.1218 175.1361 31 K 4.5479 8.5709 128.0550 54.7721 33.5498 175.2873 32 L 4.8151 8.8614 127.2692 53.3230 44.5930 175.4695 33 Q 4.8441 9.1243 118.8717 53.4164 32.6786 176.7521 34 G 4.0086 7.1900 108.2880 46.4062 0.0000 171.0138 35 Q 4.8098 8.1211 120.6242 53.7468 33.0572 175.2312 36 I 4.1498 8.3365 123.5178 61.8877 37.3634 176.2384 37 E 4.0393 9.2039 130.1910 59.0083 30.3514 176.0717 38 S 4.7756 7.7653 111.7895 58.1147 66.0784 173.0612 39 F 5.1681 7.8610 115.2799 56.2050 39.7048 173.1153 40 D 4.7924 8.5528 120.4578 52.2023 41.6623 175.6521 41 Q 4.0246 8.7994 118.2026 58.7432 29.2420 177.7540 42 F 5.0129 9.1174 115.1453 57.1748 41.5821 174.9151 43 V 5.0210 7.7036 109.4240 59.5014 36.4307 174.5606 44 I 5.0500 8.6295 122.3467 59.5423 41.0007 174.5510 45 L 4.7950 9.1920 129.6432 54.0656 43.2136 174.7049 46 L 5.0612 9.0454 129.7837 53.1424 44.5101 174.7163 47 K 4.4448 8.8473 127.3685 56.2541 34.4524 173.2974 48 N 4.7686 9.0287 123.4406 53.4677 40.3718 174.4388 49 T 4.3307 8.9281 110.8620 62.2992 69.7607 174.0890 50 V 4.3572 7.3690 120.6490 59.4981 33.3181 174.7921 51 S 4.6593 8.4820 118.9602 58.5036 63.3748 172.9384 52 Q 4.6492 8.9641 122.3174 55.2567 32.2038 172.6819 53 M 4.7701 8.6072 121.9331 54.5409 33.4994 174.9707 54 V 4.4156 8.7756 126.8480 61.0674 34.1935 174.5128 55 Y 4.4603 8.6683 126.0554 57.6507 38.5446 177.0599 56 K 4.0221 9.3312 125.0600 59.3809 32.3782 179.1955 57 A 3.9833 8.2776 120.1750 54.3883 18.5798 177.5736 58 A 4.5218 8.1605 117.8004 52.0722 19.3864 176.3944 59 I 4.5884 7.7515 118.7987 60.3936 38.4518 175.7236 60 S 4.5206 9.0763 121.4123 60.6548 63.7155 174.2866 61 T 4.7030 7.7530 114.6410 59.8400 71.0264 171.6620 62 V 4.8197 8.4257 126.4693 61.1577 33.7542 174.7557 63 V 4.4604 9.0621 128.5323 60.4316 33.5863 173.0142 64 P 4.7529 0.0000 0.0000 62.3516 31.4809 176.9888 65 S 4.4457 9.1864 119.3787 60.7653 63.2817 174.5485 66 R 4.7389 7.6833 113.7659 52.6416 32.4388 172.9138 67 P 4.2860 0.0000 0.0000 63.1089 31.7726 176.1364 68 V 4.3034 8.1300 120.7512 60.9477 33.8787 174.9254 69 R 4.1721 8.5615 126.3813 55.2083 30.4860 175.6082 70 L 4.4414 8.3227 125.7976 52.7116 42.3696 174.3158 71 P 4.4441 0.0000 0.0000 62.8549 31.2472 176.5237 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 4 G 8.20 4.41 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 0.00 5 H 7.91 3.84 0.00 3.47 3.40 0.00 5.63 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 6 S 7.26 4.86 0.00 4.01 4.13 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 7 L 8.33 3.46 0.00 1.77 1.74 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.23 4.04 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 9 D 9.18 4.46 0.00 2.82 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 10 P 0.00 4.28 0.00 2.22 2.14 0.00 3.85 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 2.15 2.18 0.00 11 Y 7.70 4.00 0.00 3.07 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 12 L 7.91 3.82 0.00 0.78 0.70 0.42 0.64 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 13 N 8.85 4.57 0.00 3.02 2.95 0.00 0.00 7.01 7.29 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 14 T 8.21 3.83 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 1.13 0.00 0.00 15 L 7.56 3.89 0.00 1.79 1.61 0.37 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.95 4.23 0.00 2.13 2.18 0.00 3.32 0.00 0.00 3.42 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 17 K 8.18 3.86 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.65 7.81 18 E 8.26 4.16 0.00 2.05 1.96 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 2.33 2.26 0.00 19 R 7.49 3.69 0.00 1.93 2.13 0.00 3.16 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 20 V 7.78 3.79 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.52 0.00 2.10 1.97 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 22 V 8.99 4.92 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 0.79 0.00 0.00 1.00 0.00 0.00 23 S 9.15 5.09 0.00 3.79 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.87 1.84 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 1.25 0.73 0.94 0.00 0.00 25 Y 8.97 4.79 0.00 2.97 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 26 L 8.89 4.90 0.00 1.77 1.70 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.86 3.75 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 0.74 0.00 0.00 0.98 0.00 0.00 28 N 8.30 4.89 0.00 2.79 2.87 0.00 0.00 6.26 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 29 G 8.70 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 0.00 0.00 0.00 0.00 30 I 7.78 3.72 1.95 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 1.12 0.82 0.90 0.00 0.00 31 K 8.57 4.55 0.00 1.32 1.49 0.00 1.35 0.00 0.00 1.21 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.98 0.47 7.81 32 L 8.86 4.82 0.00 1.51 1.49 0.92 0.66 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 33 Q 9.12 4.84 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.14 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 34 G 7.19 4.01 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 0.00 0.00 0.00 35 Q 8.12 4.81 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 36 I 8.34 4.15 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 1.01 0.00 0.00 37 E 9.20 4.04 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 38 S 7.77 4.78 0.00 3.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.86 5.17 0.00 3.26 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.55 4.79 0.00 2.86 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 41 Q 8.80 4.02 0.00 1.81 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 42 F 9.12 5.01 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 5.02 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 0.31 0.00 0.00 0.98 0.00 0.00 44 I 8.63 5.05 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.98 0.00 0.00 45 L 9.19 4.79 0.00 1.73 1.75 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.05 5.06 0.00 1.74 1.48 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.85 4.44 0.00 1.90 1.61 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.38 7.81 48 N 9.03 4.77 0.00 2.84 2.49 0.00 0.00 7.07 7.39 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 49 T 8.93 4.33 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 50 V 7.37 4.36 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 51 S 8.48 4.66 0.00 3.91 3.79 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 52 Q 8.96 4.65 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 53 M 8.61 4.77 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 54 V 8.78 4.42 2.08 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 1.05 0.00 0.00 0.94 0.00 0.00 55 Y 8.67 4.46 0.00 3.11 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 56 K 9.33 4.02 0.00 1.97 1.90 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.49 7.81 57 A 8.28 3.98 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 58 A 8.16 4.52 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 4.59 2.02 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 1.39 0.86 0.97 0.00 0.00 60 S 9.08 4.52 0.00 3.86 4.02 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 61 T 7.75 4.70 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 1.18 0.00 0.00 62 V 8.43 4.82 2.21 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 0.95 0.00 0.00 0.97 0.00 0.00 63 V 9.06 4.46 2.28 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 1.04 0.00 0.00 1.07 0.00 0.00 64 P 0.00 4.75 0.00 2.16 1.92 0.00 3.85 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 65 S 9.19 4.45 0.00 3.83 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 66 R 7.68 4.74 0.00 1.86 1.90 0.00 3.09 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 67 P 0.00 4.29 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 68 V 8.13 4.30 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 0.68 0.00 0.00 0.83 0.00 0.00 69 R 8.56 4.17 0.00 1.83 1.86 0.00 3.42 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 70 L 8.32 4.44 0.00 1.65 1.64 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.44 0.00 2.09 1.95 0.00 3.77 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 2.03 2.08 0.00