NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8260 8.3544 109.7364 44.8116 0.0000 174.4684 2 S 3.4302 9.3099 112.6570 57.0930 60.9776 169.2467 3 S 4.5146 8.1058 114.3891 57.8337 65.3106 172.2426 4 G 4.0592 7.8137 106.7657 45.2329 0.0000 172.0101 5 S 4.7002 8.2441 114.0163 56.7463 65.9049 173.3876 6 S 4.5128 8.3530 116.0918 57.3730 65.5648 175.1084 7 G 4.2581 8.5760 114.7690 43.6855 0.0000 173.0015 8 R 4.4948 7.4935 113.1385 54.4529 32.5479 175.8119 9 E 4.4372 8.8507 121.8546 55.2503 28.5930 175.2637 10 T 4.5536 8.2398 115.1938 60.2713 69.6496 173.2639 11 Y 4.7552 8.3261 123.5836 55.3017 41.8804 174.4871 12 P 4.4912 0.0000 0.0000 65.7475 31.6514 177.8630 13 D 4.9099 7.9690 117.0413 53.6294 42.4799 175.2626 14 A 4.8202 8.1668 116.9397 51.8368 19.3951 177.1585 15 V 4.1752 7.8368 114.2697 62.6325 35.0308 177.2457 16 K 4.4815 7.7255 121.8781 54.5966 34.3838 174.5111 17 I 4.6576 7.9840 124.6904 59.1443 39.6288 175.2201 18 C 4.8158 8.5476 125.7617 59.3202 32.5144 173.2367 19 N 4.8729 8.6893 118.0788 53.5597 40.2292 175.3060 20 I 3.8870 7.7161 117.4886 63.1923 37.9967 176.2514 21 C 4.3328 7.7463 111.0987 57.2756 31.0882 172.7731 22 H 4.7594 7.9265 115.5707 56.8456 25.7641 174.5208 23 S 4.8366 7.5350 113.7617 56.0393 66.9176 174.7295 24 L 4.4924 8.7829 125.4428 56.1189 42.0916 175.9087 25 L 4.8967 8.8086 125.4394 54.5036 43.5110 175.4086 26 I 4.3716 8.5349 116.1173 62.3672 39.3284 175.7227 27 Q 4.7537 7.5596 117.2644 54.1325 31.7570 174.3803 28 G 4.1440 7.4472 114.5019 46.1897 0.0000 174.4214 29 Q 4.7448 9.0555 123.9145 53.8654 32.1406 173.6213 30 S 5.8185 8.4969 116.1536 55.6455 66.3727 172.0558 31 C 4.4525 8.3639 123.3606 57.4582 33.1012 174.2014 32 E 4.2073 8.6594 123.3179 58.1476 30.2641 178.1000 33 T 4.0402 8.0024 116.4802 66.4321 68.8893 174.3754 34 C 4.5220 8.0636 112.4680 60.4993 31.6983 174.2916 35 G 4.7864 8.1975 109.0589 46.1624 0.0000 172.4267 36 I 4.6663 7.4433 113.2347 59.5202 41.6841 176.0878 37 R 5.2428 8.5558 123.5999 55.4682 32.8336 175.0490 38 M 4.9725 9.0532 120.3354 54.0127 37.1089 174.8599 39 H 4.6331 8.7102 118.8906 55.4742 29.9489 176.8212 40 L 4.0167 8.5283 120.2377 57.7376 41.7763 177.9686 41 P 4.4808 0.0000 0.0000 64.4655 31.7465 177.6235 42 C 4.1758 7.7981 116.5111 62.1341 28.7205 175.4000 43 V 3.3217 7.7900 119.5803 65.6985 31.0938 178.0006 44 A 4.0046 7.6948 120.5233 55.1958 18.1373 179.4185 45 K 3.8764 7.2878 115.8196 59.4447 32.1363 177.2450 46 Y 4.2605 7.1502 117.5244 57.7437 39.0696 175.5578 47 F 5.1189 7.9420 118.7416 57.0128 39.8614 174.7186 48 Q 4.4036 8.0225 118.2637 55.9135 29.9633 174.9827 49 S 3.7460 8.7482 114.8413 59.4655 60.4739 170.0786 50 N 5.0466 7.9466 113.3663 50.9959 40.5366 173.6633 51 A 4.2663 8.4829 120.4942 53.7397 19.7209 177.2179 52 E 4.8031 7.7855 117.1257 53.6012 31.8619 174.0200 53 P 4.1556 0.0000 0.0000 62.6231 32.8066 175.5435 54 R 4.6158 8.1866 120.0067 54.2139 33.7387 174.7181 55 C 4.2470 9.3475 123.7755 59.6673 31.8102 172.3084 56 P 4.5753 0.0000 0.0000 64.2697 30.4780 175.6640 57 H 4.6462 7.6007 117.0259 57.9237 31.7487 175.0373 58 C 4.2077 8.1051 116.2607 58.9848 30.7440 172.9683 59 N 4.8934 8.2718 115.5557 54.9710 35.7468 172.0874 60 D 4.8542 7.3936 115.5345 53.7075 44.3562 174.3191 61 Y 4.6900 7.2890 117.1221 56.7869 41.3883 173.3012 62 W 4.4241 7.2520 135.0000 55.3321 30.3745 174.4278 63 P 4.1927 0.0000 0.0000 65.4131 31.0640 176.2486 64 H 4.4207 6.7563 117.8594 54.5188 31.0898 173.4766 65 E 4.4418 7.9000 119.2750 55.2877 30.8040 175.4315 66 I 4.4057 8.0276 120.4279 59.0252 38.1093 174.5219 67 P 4.5607 0.0000 0.0000 62.4088 32.1583 175.1422 68 K 4.4504 8.2067 119.2101 54.8889 33.6781 175.4690 69 S 4.5249 8.3768 118.5759 57.1657 63.8710 172.8753 70 G 4.1203 8.0003 111.9778 42.8792 0.0000 172.3592 71 P 4.5616 0.0000 0.0000 63.4766 31.1594 176.4961 72 S 4.4393 7.5177 114.1035 58.7717 64.3310 173.3047 73 S 3.6891 8.4907 113.5068 57.6492 59.9259 170.8419 74 G 3.4519 8.2993 112.6398 45.3265 0.0000 173.1440 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 G 8.35 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 2 S 9.31 3.43 0.00 4.03 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 3 S 8.11 4.51 0.00 4.02 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 4 G 7.81 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.24 4.70 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.51 0.00 3.96 3.78 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 7 G 8.58 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 0.00 0.00 0.00 0.00 8 R 7.49 4.49 0.00 1.88 1.88 0.00 3.03 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 9 E 8.85 4.44 0.00 2.21 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 2.31 2.26 0.00 10 T 8.24 4.55 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 1.22 0.00 0.00 11 Y 8.33 4.76 0.00 2.96 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 P 0.00 4.49 0.00 2.20 2.19 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 13 D 7.97 4.91 0.00 2.64 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 14 A 8.17 4.82 1.08 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 15 V 7.84 4.18 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 0.92 0.00 0.00 0.95 0.00 0.00 16 K 7.73 4.48 0.00 1.79 1.67 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.43 7.81 17 I 7.98 4.66 1.86 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 1.21 0.81 0.96 0.00 0.00 18 C 8.55 4.82 0.00 3.16 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 19 N 8.69 4.87 0.00 2.67 2.66 0.00 0.00 6.97 8.03 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 20 I 7.72 3.89 1.72 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.76 0.00 0.00 21 C 7.75 4.33 0.00 3.00 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 22 H 7.93 4.76 0.00 3.32 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.54 4.84 0.00 3.79 3.74 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 24 L 8.78 4.49 0.00 1.72 1.64 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.81 4.90 0.00 1.48 1.30 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.53 4.37 1.88 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 1.42 0.69 0.92 0.00 0.00 27 Q 7.56 4.75 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 28 G 7.45 4.14 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 0.00 0.00 0.00 29 Q 9.06 4.74 0.00 2.40 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 30 S 8.50 5.82 0.00 3.79 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.45 0.00 3.04 2.76 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 0.00 0.00 0.00 0.00 32 E 8.66 4.21 0.00 2.05 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 2.12 2.26 0.00 33 T 8.00 4.04 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 1.26 0.00 0.00 34 C 8.06 4.52 0.00 3.11 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 35 G 8.20 4.79 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 0.00 0.00 0.00 36 I 7.44 4.67 1.87 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.65 0.00 0.00 37 R 8.56 5.24 0.00 1.76 1.85 0.00 3.08 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 38 M 9.05 4.97 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 39 H 8.71 4.63 0.00 3.23 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.53 4.02 0.00 1.71 1.74 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.48 0.00 2.19 2.28 0.00 3.62 0.00 0.00 3.78 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 42 C 7.80 4.18 0.00 3.17 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 43 V 7.79 3.32 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 1.00 0.00 0.00 1.00 0.00 0.00 44 A 7.69 4.00 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 45 K 7.29 3.88 0.00 2.04 1.83 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 46 Y 7.15 4.26 0.00 2.65 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 0.00 0.00 0.00 0.00 47 F 7.94 5.12 0.00 2.96 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 48 Q 8.02 4.40 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 49 S 8.75 3.75 0.00 4.01 3.96 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 50 N 7.95 5.05 0.00 2.80 2.73 0.00 0.00 6.25 7.21 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 51 A 8.48 4.27 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 52 E 7.79 4.80 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 53 P 0.00 4.16 0.00 0.56 1.15 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 54 R 8.19 4.62 0.00 1.79 1.97 0.00 3.31 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 55 C 9.35 4.25 0.00 3.43 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 56 P 0.00 4.58 0.00 2.11 1.45 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.46 0.00 57 H 7.60 4.65 0.00 3.15 3.35 0.00 5.92 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.11 4.21 0.00 3.20 3.15 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 0.00 0.00 0.00 0.00 59 N 8.27 4.89 0.00 2.94 3.00 0.00 0.00 7.14 8.53 0.00 0.00 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 D 7.39 4.85 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 61 Y 7.29 4.69 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 7.25 4.42 0.00 2.82 2.46 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 0.00 0.00 0.00 0.00 63 P 0.00 4.19 0.00 2.03 2.06 0.00 2.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 64 H 6.76 4.42 0.00 2.64 3.07 0.00 5.91 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.90 4.44 0.00 2.13 1.89 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 2.08 2.35 0.00 66 I 8.03 4.41 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.84 1.01 0.00 0.00 67 P 0.00 4.56 0.00 2.23 2.16 0.00 3.87 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 68 K 8.21 4.45 0.00 1.73 1.75 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.47 7.81 69 S 8.38 4.52 0.00 3.86 3.75 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 70 G 8.00 4.12 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 0.00 71 P 0.00 4.56 0.00 2.19 2.17 0.00 3.76 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 1.98 1.95 0.00 72 S 7.52 4.44 0.00 3.94 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 73 S 8.49 3.69 0.00 4.01 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 74 G 8.30 3.45 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 0.00