NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9329 8.3549 109.7346 45.1222 0.0000 173.2501 3 K 3.8994 8.3647 118.2889 55.4221 32.7407 171.2715 4 V 4.4292 8.5174 121.8432 61.4870 35.6930 173.7113 5 Y 5.1158 8.8075 124.2972 56.2517 41.0157 174.5921 6 K 4.5430 8.5818 121.2044 54.5237 36.0415 174.8692 7 K 4.8869 8.4441 123.8120 54.6037 35.1026 175.8551 8 V 4.5932 8.8439 117.2031 59.4878 35.5601 173.9986 9 E 5.0791 8.7552 123.9924 54.6543 31.1285 174.9004 10 L 4.8857 9.0699 126.2575 52.9116 46.3091 175.9566 11 V 4.6197 8.2818 119.6940 61.1797 33.3414 174.7726 12 G 4.0913 8.6699 115.6684 45.6634 0.0000 171.0300 13 T 5.8023 7.9178 112.1730 58.6870 72.4614 173.0053 14 S 4.7444 7.9962 113.4974 58.3920 65.0220 177.1215 15 E 4.6007 9.2372 124.8315 57.5441 30.0778 177.6394 16 E 4.1605 8.3662 119.0499 57.2585 30.1482 176.5357 17 G 3.3390 7.0674 104.1009 44.0007 0.0000 173.6816 18 L 3.8177 7.5869 118.1780 57.9362 41.4479 179.4565 19 E 3.9005 8.0753 117.7325 59.3244 29.3721 179.1801 20 A 3.9039 7.8585 119.9979 55.0944 18.6358 179.3407 21 A 4.1145 7.9488 119.2766 55.2803 18.4474 179.9143 22 I 3.4562 7.7600 118.2132 64.6184 37.1556 178.5414 23 Q 3.8804 8.1615 118.7638 58.9660 28.5980 178.8441 24 A 3.9131 8.3806 121.8053 55.3128 18.3870 179.6234 25 A 3.9273 7.8050 118.6222 55.1544 18.4339 179.9371 26 L 3.8782 7.8656 117.4331 57.5632 41.4357 179.3282 27 A 3.9312 8.3236 120.2320 55.3977 18.5710 179.3485 28 R 3.9053 7.9100 116.5661 59.4562 30.0940 178.5485 29 A 3.9046 7.9181 120.6915 55.0802 18.1565 179.5567 30 R 3.8311 7.8320 116.0094 59.1741 30.1130 178.5608 31 K 4.1652 7.7060 117.8595 58.4026 32.1572 177.5580 32 T 4.5100 7.7108 105.2584 60.5837 70.2411 173.4594 33 L 4.4499 7.7841 122.2756 52.8648 44.2234 175.9921 34 R 4.4120 8.0368 121.1445 55.7691 32.8506 175.2052 35 H 4.1580 8.4718 113.9973 56.9816 25.7149 175.5041 36 L 4.5790 8.0104 118.7261 55.3336 42.3865 176.0791 37 D 5.1944 9.4356 123.3120 55.2401 42.6798 176.4782 38 W 5.5159 7.9543 113.5263 54.9122 32.0181 173.0580 39 F 5.3821 8.3563 114.3334 55.3903 41.1009 173.8613 40 E 4.7664 9.2840 118.8336 54.7384 33.5015 174.9211 41 V 4.2602 8.7675 124.9579 63.0073 31.8869 175.1553 42 K 4.5075 9.3147 127.5320 57.8387 33.5182 176.6034 43 E 4.8864 7.9918 117.0719 54.6231 34.4406 174.7126 44 I 5.0795 8.3079 121.5747 59.9668 40.7201 174.7702 45 R 4.5774 8.9793 123.8560 56.5969 33.1275 173.5931 46 G 4.2167 8.0112 105.2161 46.8633 0.0000 172.5559 47 T 4.7720 7.9572 109.9417 59.9212 71.7203 173.4518 48 I 4.7631 8.2503 123.1497 59.8539 39.7116 175.3937 49 G 4.3628 9.2943 116.7422 44.0073 0.0000 172.8802 50 E 3.9173 8.8893 117.2523 58.8274 29.5690 177.6148 51 A 4.5425 7.7053 119.1137 51.6853 20.4287 176.2479 52 G 4.0591 7.3014 103.5438 43.9851 0.0000 177.4126 53 V 3.9867 8.3931 126.4722 62.7110 30.8372 174.6420 54 K 4.2907 8.2170 131.5423 57.8480 31.9564 175.9973 55 E 4.8626 8.3695 116.2622 54.6416 33.5470 173.6107 56 Y 4.6945 9.2501 120.8774 57.7085 39.8386 174.4643 57 Q 4.9959 9.5676 122.2667 54.1037 32.8595 174.4003 58 V 4.7904 8.6922 124.1414 60.9992 34.3825 174.4111 59 V 4.6017 8.6889 129.4944 62.2736 32.6602 174.8015 60 L 5.1750 9.1641 127.2763 54.6111 44.4637 174.2832 61 E 5.1253 9.5211 119.7996 54.6788 32.4172 175.1139 62 V 4.5154 8.9131 124.0741 61.0257 34.1748 174.3103 63 G 3.0323 8.5150 116.4103 43.9275 0.0000 172.2317 64 F 5.6662 8.1001 117.8683 54.9757 41.8987 173.5778 65 R 4.2853 8.8101 121.1166 56.2679 30.5505 175.8605 66 L 4.6663 8.4510 126.4204 53.9376 43.0046 176.6307 67 E 4.1457 8.8605 121.5462 56.1358 30.9288 176.6086 68 E 4.1156 8.3153 118.4661 56.9587 29.4892 175.9505 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 2 G 8.35 3.93 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 0.00 0.00 0.00 3 K 8.36 3.90 0.00 1.78 1.38 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.52 4.43 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 1.09 0.00 0.00 0.90 0.00 0.00 5 Y 8.81 5.12 0.00 3.07 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 6 K 8.58 4.54 0.00 1.46 0.74 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.14 1.28 7.81 7 K 8.44 4.89 0.00 1.58 1.57 0.00 2.02 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.98 1.35 7.81 8 V 8.84 4.59 2.14 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 0.85 0.00 0.00 1.19 0.00 0.00 9 E 8.76 5.08 0.00 1.97 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 2.20 2.32 0.00 10 L 9.07 4.89 0.00 1.54 1.47 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.28 4.62 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 0.80 0.00 0.00 0.93 0.00 0.00 12 G 8.67 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.92 5.80 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 1.27 0.00 0.00 14 S 8.00 4.74 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 15 E 9.24 4.60 0.00 2.04 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 2.31 2.35 0.00 16 E 8.37 4.16 0.00 1.96 1.98 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 2.33 2.27 0.00 17 G 7.07 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 0.00 0.00 0.00 18 L 7.59 3.82 0.00 1.59 1.67 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.08 3.90 0.00 1.99 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 2.39 2.43 0.00 20 A 7.86 3.90 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 21 A 7.95 4.11 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 22 I 7.76 3.46 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.25 0.00 0.00 23 Q 8.16 3.88 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 24 A 8.38 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 3.93 1.33 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 0.00 0.00 0.00 26 L 7.87 3.88 0.00 1.77 1.67 0.72 0.49 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 27 A 8.32 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.91 0.00 1.93 1.90 0.00 3.11 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 29 A 7.92 3.90 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 30 R 7.83 3.83 0.00 1.92 2.06 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 31 K 7.71 4.17 0.00 1.84 1.81 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 32 T 7.71 4.51 4.17 0.00 0.00 0.00 0.00 0.00 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 L 7.78 4.45 0.00 1.32 0.71 0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.04 4.41 0.00 1.62 1.46 0.00 3.23 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 35 H 8.47 4.16 0.00 3.67 3.49 0.00 5.62 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 36 L 8.01 4.58 0.00 1.69 1.69 0.88 0.97 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 37 D 9.44 5.19 0.00 3.05 3.02 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 38 W 7.95 5.52 0.00 3.23 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 39 F 8.36 5.38 0.00 3.01 2.99 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 40 E 9.28 4.77 0.00 1.97 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 0.00 2.42 2.50 0.00 41 V 8.77 4.26 2.19 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 0.83 0.00 0.00 1.12 0.00 0.00 42 K 9.31 4.51 0.00 1.65 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 43 E 7.99 4.89 0.00 1.88 1.79 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 2.30 2.33 0.00 44 I 8.31 5.08 1.91 0.00 0.00 0.90 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 0.64 0.98 0.00 0.00 45 R 8.98 4.58 0.00 1.78 2.02 0.00 2.84 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 46 G 8.01 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 0.00 0.00 0.00 0.00 47 T 7.96 4.77 4.19 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 1.18 0.00 0.00 48 I 8.25 4.76 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.93 0.00 0.00 49 G 9.29 4.36 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 0.00 50 E 8.89 3.92 0.00 1.96 2.02 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 2.30 2.30 0.00 51 A 7.71 4.54 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 52 G 7.30 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 53 V 8.39 3.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.73 0.00 0.00 54 K 8.22 4.29 0.00 1.81 1.70 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.35 7.81 55 E 8.37 4.86 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 2.13 2.23 0.00 56 Y 9.25 4.69 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.57 5.00 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 58 V 8.69 4.79 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.69 4.60 2.19 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 0.99 0.00 0.00 0.94 0.00 0.00 60 L 9.16 5.17 0.00 1.96 1.74 0.88 0.39 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 61 E 9.52 5.13 0.00 1.88 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 0.00 2.24 2.25 0.00 62 V 8.91 4.52 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 1.06 0.00 0.00 0.92 0.00 0.00 63 G 8.52 3.03 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 64 F 8.10 5.67 0.00 3.33 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 65 R 8.81 4.29 0.00 1.97 1.95 0.00 3.11 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.20 0.00 66 L 8.45 4.67 0.00 1.62 1.58 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.86 4.15 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 68 E 8.32 4.12 0.00 2.04 2.19 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 2.26 2.31 0.00