NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4693 8.3344 116.7950 58.8675 64.2962 171.8392 2 T 4.3371 8.0333 114.3235 60.4224 70.0578 172.2921 3 A 4.2164 9.3462 133.3646 51.6025 20.0823 176.6660 4 L 4.1337 8.3433 123.2710 54.2556 42.4774 177.1220 5 A 4.2071 8.2285 125.1197 51.3724 19.1636 177.1146 6 K 4.0445 8.3863 121.6848 55.6170 32.5433 175.5042 7 P 4.6255 0.0000 0.0000 61.3274 33.0844 174.7732 8 Q 4.2044 8.3773 119.5319 56.2068 29.2638 175.1242 9 M 4.7067 8.6418 122.6143 54.7484 34.3173 175.6062 10 R 4.6044 7.9771 117.0603 55.1156 33.0575 175.3575 11 G 3.9689 8.5219 106.9364 47.0471 0.0000 176.0923 12 L 4.0284 7.8600 121.0602 56.9926 41.8116 178.5908 13 L 3.9153 7.8436 119.8527 57.9845 42.2574 178.5403 14 A 3.9859 7.9345 120.2846 55.1910 18.5302 179.3543 15 R 3.8890 8.1995 117.2820 59.6391 30.0113 178.7672 16 R 4.0067 7.9625 118.5490 59.0606 29.9951 178.2965 17 L 3.9523 8.1152 120.3273 58.4024 41.9980 178.8532 18 R 4.0308 7.8635 116.5902 60.1252 30.3228 178.1395 19 F 4.2213 8.1486 119.4127 61.2794 39.4221 176.7305 20 H 4.3860 8.9352 115.9850 59.0794 28.6675 177.6645 21 I 4.0218 8.4843 120.8460 63.8739 37.6275 178.2681 22 V 3.7847 8.1457 119.4621 66.0395 31.5380 178.3410 23 G 3.7341 8.3137 104.5295 47.4924 0.0000 175.3350 24 A 3.9693 8.5983 123.5899 55.2172 18.3275 179.7299 25 F 3.8460 8.1708 116.0293 60.6852 38.9252 177.7279 26 M 4.1000 8.3844 118.4824 58.5319 31.9678 178.8481 27 V 3.5756 7.8249 118.3544 66.1411 31.5457 178.2861 28 S 3.8973 7.9286 113.9241 61.3055 62.8685 176.2961 29 L 4.2984 8.4541 122.4920 56.6263 41.2416 179.7272 30 G 3.7239 8.0792 106.4764 48.0480 0.0000 175.8575 31 F 4.3134 8.4793 120.4390 59.9988 38.7896 177.8084 32 A 4.0985 8.1355 120.6817 55.5815 18.4904 179.9395 33 T 3.8557 8.3590 108.2505 64.6324 68.7166 176.5005 34 F 4.2812 8.8149 124.3504 61.3593 39.4700 176.5243 35 Y 3.8484 8.3571 119.3325 60.2842 38.5104 177.6033 36 K 3.6632 8.2957 120.8027 59.7588 31.2451 178.7494 37 F 4.1248 7.6015 117.0893 60.1932 38.8052 177.5370 38 A 4.0540 7.6298 118.5289 53.4007 18.4301 177.4903 39 V 3.8468 6.8994 114.3929 63.7344 33.8923 177.1925 40 A 3.8220 7.5928 121.0828 55.3799 18.2707 179.5703 41 E 3.9344 8.7469 117.6650 59.1446 29.3935 179.4826 42 K 3.9006 7.4203 116.7860 59.5998 32.2559 178.8916 43 R 4.0159 8.0025 118.9531 59.3343 29.9801 178.6082 44 K 4.0559 8.0284 118.1289 59.1370 31.9871 179.3334 45 K 3.9592 8.0594 119.3511 59.4683 32.2800 178.6453 46 A 4.0448 8.3954 121.4690 55.5670 18.2024 179.2910 47 Y 3.7237 8.3408 114.8619 61.0004 37.8508 178.1373 48 A 4.1986 8.0436 120.7835 55.1406 18.8549 179.2928 49 D 4.4471 8.8474 117.7628 57.4970 40.7731 178.3511 50 F 3.8300 7.7731 119.8709 61.7335 39.2304 175.8965 51 Y 4.4662 7.9245 114.5122 59.1347 37.9275 177.2242 52 R 4.1376 8.0749 120.6999 59.2391 30.2929 178.3951 53 N 4.9685 7.8494 113.1822 53.0013 39.1177 174.0251 54 Y 4.3368 7.8103 118.5644 56.3429 40.5070 173.5078 55 D 4.6616 7.2882 124.4362 51.6820 43.8819 176.4047 56 S 4.0350 8.1569 124.7483 61.0311 63.0458 176.3180 57 M 4.1161 7.9338 121.8566 58.0535 31.8825 178.2045 58 K 3.8431 8.3341 119.8446 59.6283 32.3233 178.1917 59 D 4.3425 8.0253 118.0997 57.2778 41.0906 177.8987 60 F 4.3662 8.6537 121.4918 61.4075 39.3944 176.7216 61 E 3.7082 8.6061 118.5049 59.6290 29.1084 179.2147 62 E 3.9481 7.9107 116.8104 59.7643 29.6128 179.2249 63 M 4.0179 7.8605 118.6345 58.0597 31.9315 178.6901 64 R 3.9310 8.0831 119.4308 59.4581 30.0667 178.5427 65 K 3.8220 8.0861 117.8447 59.0432 32.1873 177.6045 66 A 4.2801 7.3724 118.7970 51.7217 18.6218 177.5932 67 G 3.8316 7.9344 105.6912 46.2197 0.0000 175.4718 68 I 3.7848 7.5849 115.0638 63.0868 38.0862 176.7695 69 F 4.6765 7.4364 118.1788 57.3678 39.2584 174.9226 70 Q 4.6354 8.8541 119.6700 56.1599 29.2129 176.0055 71 S 4.6307 7.9870 111.1920 57.9387 63.6687 174.5354 72 A 4.4896 7.7475 122.8583 52.1962 19.6035 176.7955 73 K 4.2464 8.4915 119.6752 57.1333 32.3177 177.2756 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 S 8.33 4.47 0.00 3.88 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 2 T 8.03 4.34 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 3 A 9.35 4.22 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 4 L 8.34 4.13 0.00 1.65 1.61 0.92 0.85 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 5 A 8.23 4.21 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 6 K 8.39 4.04 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.63 0.00 2.22 2.07 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 8 Q 8.38 4.20 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 9 M 8.64 4.71 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 10 R 7.98 4.60 0.00 1.77 1.81 0.00 3.35 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.52 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 0.00 0.00 0.00 12 L 7.86 4.03 0.00 1.70 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.84 3.92 0.00 1.75 1.65 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.93 3.99 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 15 R 8.20 3.89 0.00 1.97 2.20 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 16 R 7.96 4.01 0.00 2.00 2.03 0.00 3.02 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 17 L 8.12 3.95 0.00 1.81 1.84 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.86 4.03 0.00 1.88 2.07 0.00 3.31 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 19 F 8.15 4.22 0.00 3.24 3.10 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 0.00 0.00 0.00 0.00 20 H 8.94 4.39 0.00 3.26 3.43 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.48 4.02 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 1.09 0.00 0.00 22 V 8.15 3.78 2.24 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 0.93 0.00 0.00 0.91 0.00 0.00 23 G 8.31 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 0.00 0.00 0.00 24 A 8.60 3.97 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 25 F 8.17 3.85 0.00 3.25 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 26 M 8.38 4.10 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.98 0.00 27 V 7.82 3.58 1.93 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 0.73 0.00 0.00 1.01 0.00 0.00 28 S 7.93 3.90 0.00 3.95 3.86 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 29 L 8.45 4.30 0.00 1.90 1.86 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.08 3.72 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 31 F 8.48 4.31 0.00 3.22 3.18 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 32 A 8.14 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 3.86 4.59 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 1.39 0.00 0.00 34 F 8.81 4.28 0.00 3.24 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.36 3.85 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 3.66 0.00 1.67 1.40 0.00 1.44 0.00 0.00 1.01 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.58 1.17 7.81 37 F 7.60 4.12 0.00 3.08 2.97 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 38 A 7.63 4.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.90 3.85 0.99 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 0.60 0.00 0.00 0.60 0.00 0.00 40 A 7.59 3.82 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 41 E 8.75 3.93 0.00 2.15 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 0.00 2.29 2.57 0.00 42 K 7.42 3.90 0.00 1.75 1.89 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 43 R 8.00 4.02 0.00 1.96 2.11 0.00 3.11 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 44 K 8.03 4.06 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.42 7.81 45 K 8.06 3.96 0.00 2.02 1.97 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 46 A 8.40 4.04 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 47 Y 8.34 3.72 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.45 0.00 2.87 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 50 F 7.77 3.83 0.00 2.87 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 51 Y 7.92 4.47 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 52 R 8.07 4.14 0.00 2.03 2.14 0.00 3.26 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 53 N 7.85 4.97 0.00 2.68 2.75 0.00 0.00 6.77 7.46 0.00 0.00 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 Y 7.81 4.34 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 55 D 7.29 4.66 0.00 2.52 2.24 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 56 S 8.16 4.04 0.00 4.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.93 4.12 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 58 K 8.33 3.84 0.00 1.75 1.84 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 59 D 8.03 4.34 0.00 2.90 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 60 F 8.65 4.37 0.00 3.28 3.34 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 61 E 8.61 3.71 0.00 2.23 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 2.58 2.55 0.00 62 E 7.91 3.95 0.00 2.06 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 2.32 2.62 0.00 63 M 7.86 4.02 0.00 1.58 2.37 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.43 0.00 64 R 8.08 3.93 0.00 0.99 1.74 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 65 K 8.09 3.82 0.00 1.77 1.77 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 66 A 7.37 4.28 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 67 G 7.93 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.58 3.78 1.60 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 0.73 0.00 0.00 69 F 7.44 4.68 0.00 3.37 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 70 Q 8.85 4.64 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 71 S 7.99 4.63 0.00 3.96 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 72 A 7.75 4.49 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 4.25 0.00 1.79 1.76 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.41 7.81