NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9168 8.3544 109.7372 44.9474 0.0000 173.1765 2 S 3.9732 8.2813 120.4212 59.2941 62.7037 173.2961 3 S 4.8118 7.9457 112.6460 57.0474 65.5599 172.2157 4 G 4.1815 8.0472 108.2452 47.2453 0.0000 174.5861 5 S 4.1773 7.9465 115.3644 60.3272 63.5877 174.5484 6 S 4.0142 7.9965 116.4237 58.5045 62.5687 173.5045 7 G 3.8503 8.7592 119.0851 45.9197 0.0000 173.5081 8 L 4.4782 7.6989 118.4210 53.2916 43.3164 176.7090 9 P 4.5498 0.0000 0.0000 62.6192 32.9044 174.8681 10 Y 4.0309 8.7889 123.2888 59.4230 38.6756 174.8600 11 G 3.8579 8.6651 117.8556 45.6421 0.0000 173.6679 12 W 4.9075 7.9187 118.6807 55.9168 30.9483 176.3539 13 E 4.6038 9.2553 123.1088 55.0898 32.7508 173.5524 14 E 4.2487 8.6916 125.7960 55.1959 30.8494 175.1137 15 A 4.6719 7.4230 125.8817 49.8453 22.9034 173.6786 16 Y 5.3727 8.4112 114.5801 56.8805 41.8583 176.0896 17 T 4.5118 8.8042 112.0200 60.0737 70.7146 175.6648 18 A 4.1147 8.4999 123.6608 54.7965 18.5739 178.6046 19 D 4.5399 8.5345 115.5283 56.8757 41.3124 176.5604 20 G 3.6174 7.6399 111.6180 45.7346 0.0000 173.8202 21 I 4.0609 7.7805 121.6061 61.8477 38.4760 174.8085 22 K 4.9944 8.7880 124.4687 54.8244 34.8077 174.5569 23 Y 5.0272 8.2069 123.5060 55.4064 42.2290 173.5793 24 F 5.0938 9.0218 118.8910 55.8398 41.3553 174.8076 25 I 5.1060 8.7861 123.6023 59.2462 41.4973 173.5775 26 N 4.5793 8.2609 126.7386 52.5396 40.5226 174.7735 27 H 4.5375 8.2038 120.1464 57.4560 29.7726 177.2996 28 V 3.7357 8.1660 111.5346 63.5138 31.4987 176.9973 29 T 4.2419 7.5153 106.4493 60.6098 70.0394 173.7825 30 Q 3.8182 7.4105 119.9974 56.6994 26.5873 173.5967 31 T 4.7623 7.1661 113.0230 61.8312 72.7280 174.6639 32 T 4.8429 8.4297 115.3945 60.3633 70.3814 173.8684 33 S 4.6096 9.3580 121.7159 56.9425 68.2741 173.5291 34 W 5.4235 8.8395 122.6042 55.5525 29.2846 175.0487 35 I 3.9871 7.2455 116.5952 60.3875 39.5174 174.7966 36 H 3.9247 7.6495 120.3603 53.0266 29.2182 171.1796 37 P 4.2984 0.0000 0.0000 61.4887 29.0224 175.9038 38 V 4.3581 7.1830 123.6074 62.0503 34.9652 173.6531 39 M 4.7884 8.4487 124.9045 53.6648 35.1890 175.0502 40 S 4.3065 8.5338 117.5242 58.4398 62.8159 173.5869 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 3.92 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 0.00 0.00 0.00 2 S 8.28 3.97 0.00 3.93 3.94 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 0.00 0.00 0.00 3 S 7.95 4.81 0.00 4.03 3.85 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 4 G 8.05 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 0.00 0.00 0.00 0.00 5 S 7.95 4.18 0.00 4.05 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 6 S 8.00 4.01 0.00 3.88 3.87 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 7 G 8.76 3.85 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 0.00 0.00 0.00 8 L 7.70 4.48 0.00 1.61 1.71 1.08 1.20 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 9 P 0.00 4.55 0.00 2.31 2.25 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 10 Y 8.79 4.03 0.00 3.08 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 11 G 8.67 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 0.00 0.00 0.00 12 W 7.92 4.91 0.00 3.35 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 13 E 9.26 4.60 0.00 1.92 1.57 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 2.12 2.18 0.00 14 E 8.69 4.25 0.00 1.16 1.19 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 2.03 2.18 0.00 15 A 7.42 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.41 5.37 0.00 2.78 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 17 T 8.80 4.51 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 18 A 8.50 4.11 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 19 D 8.53 4.54 0.00 2.77 2.78 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 20 G 7.64 3.62 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 0.00 0.00 0.00 21 I 7.78 4.06 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 1.20 0.00 0.00 22 K 8.79 4.99 0.00 1.03 1.57 0.00 1.71 0.00 0.00 0.95 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.60 0.74 7.81 23 Y 8.21 5.03 0.00 2.06 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 24 F 9.02 5.09 0.00 3.14 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 25 I 8.79 5.11 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.80 0.85 0.00 0.00 26 N 8.26 4.58 0.00 1.44 1.94 0.00 0.00 5.99 7.42 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 27 H 8.20 4.54 0.00 2.96 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.17 3.74 2.05 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 0.79 0.00 0.00 0.85 0.00 0.00 29 T 7.52 4.24 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 1.14 0.00 0.00 30 Q 7.41 3.82 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 31 T 7.17 4.76 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 1.25 0.00 0.00 32 T 8.43 4.84 4.04 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 1.16 0.00 0.00 33 S 9.36 4.61 0.00 3.93 3.85 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 34 W 8.84 5.42 0.00 3.17 3.38 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 35 I 7.25 3.99 1.49 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.36 0.83 0.00 0.00 36 H 7.65 3.92 0.00 2.82 3.03 0.00 5.93 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.30 0.00 1.69 1.34 0.00 3.03 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 38 V 7.18 4.36 1.87 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 0.75 0.00 0.00 0.73 0.00 0.00 39 M 8.45 4.79 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 40 S 8.53 4.31 0.00 3.83 3.66 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