NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2326 8.3044 120.3289 50.7744 34.4836 171.7868 2 K 3.6987 8.8394 135.0000 54.5081 30.2254 173.5227 3 K 4.6587 9.2542 125.0356 55.5151 37.8942 173.9769 4 E 4.8597 8.5068 120.2642 54.4908 31.9935 174.7914 5 I 4.2046 8.8413 129.8825 60.3922 38.5793 174.7102 6 Q 4.8275 8.6081 129.0690 54.3286 30.7012 175.0667 7 V 4.2753 8.5993 125.9825 61.6079 34.9109 177.3849 8 Q 3.2498 9.1511 129.0817 57.3029 27.8293 176.1453 9 G 3.8204 9.2809 116.2894 46.9021 0.0000 173.7568 10 V 4.2347 7.7045 120.0930 60.7031 34.1087 173.9975 11 R 4.7760 8.1325 124.3774 54.5774 32.5375 174.4671 12 Y 4.5509 8.9799 122.6421 56.7345 39.9746 174.4282 13 Y 4.8562 8.8089 122.5289 56.9835 39.1791 175.0401 14 V 4.4476 9.1643 125.7528 61.2748 33.4062 175.7916 15 E 4.8422 9.6875 126.8491 56.2222 31.7821 176.1025 16 S 4.6450 7.5892 112.5693 55.8022 67.4046 174.3190 17 E 3.8834 8.6489 121.7769 59.4889 29.1498 178.3461 18 D 4.3059 7.9838 118.3883 57.0728 40.8418 178.3592 19 D 4.3154 7.6873 119.8678 57.2267 40.8604 178.4821 20 L 3.8571 7.5586 119.0429 57.7942 41.5662 179.7704 21 V 3.2639 7.2379 117.9258 65.9550 31.4359 178.2246 22 S 4.0553 7.6248 114.8073 61.6639 62.5970 176.9303 23 V 3.1805 7.7076 120.6433 65.6133 31.1841 177.8466 24 A 3.9353 7.9574 120.5558 55.4868 18.2505 179.3574 25 H 4.0647 8.2415 114.6416 59.0116 28.8351 177.7207 26 E 4.0024 8.1220 121.0292 59.2998 29.5725 178.8383 27 L 4.1972 8.2366 119.1451 57.7120 41.6411 179.2775 28 A 4.0797 8.1857 120.7839 55.2122 18.0921 179.8300 29 K 4.0092 7.9817 115.9586 59.7301 32.2060 178.7090 30 M 4.4110 7.8699 115.8004 55.6007 31.8762 177.1538 31 G 3.8533 7.8233 107.6631 45.4870 0.0000 173.5439 32 Y 4.4408 7.5287 117.0397 57.4630 38.6429 176.3874 33 T 4.3090 8.8267 114.6292 61.0322 71.2349 176.1698 34 V 3.5674 8.2205 120.2759 66.0753 31.5793 177.5894 35 Q 4.2996 7.9500 120.0675 58.9221 28.9734 178.3021 36 Q 4.0318 8.1272 118.9587 58.9551 28.7179 178.8480 37 I 3.5673 8.2336 121.0711 64.1061 36.9976 177.9587 38 A 3.9505 8.0767 121.7932 55.5756 17.9160 179.5302 39 N 4.2430 7.8274 112.6711 56.4386 38.7108 177.2145 40 A 4.0513 7.6960 120.9373 54.7062 18.5340 178.8771 41 L 4.3772 7.8676 115.2392 54.4719 42.2617 177.9650 42 G 3.8557 7.8045 106.6534 45.5597 0.0000 173.0457 43 V 4.4099 7.3071 112.0092 58.6689 34.7552 175.6411 44 S 4.4723 8.0277 115.6690 58.0679 65.1140 174.8811 45 E 3.9535 8.4840 121.3410 59.0833 29.1577 179.3031 46 R 3.8051 7.8906 118.5619 59.5283 30.1331 178.2910 47 K 3.5196 7.7535 117.9184 59.3883 32.0177 179.4415 48 V 3.4004 7.2092 118.0393 66.0515 31.5649 178.2638 49 R 3.9486 7.8157 117.7681 59.2951 29.6475 179.0660 50 R 3.9385 7.6542 117.5754 59.5134 30.2649 177.8824 51 Y 4.5380 8.2387 117.1147 61.1851 37.7129 178.3206 52 L 4.0254 8.3601 118.2666 56.7176 41.8098 178.6155 53 E 4.0873 7.8096 118.7787 58.9255 29.6120 176.5012 54 S 4.3745 7.8416 118.6954 58.6981 63.0035 173.7459 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 M 8.30 4.23 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 K 8.84 3.70 0.00 1.98 1.93 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.60 7.81 3 K 9.25 4.66 0.00 1.77 1.87 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.39 7.81 4 E 8.51 4.86 0.00 1.82 1.74 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 1.86 1.50 0.00 5 I 8.84 4.20 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.92 0.95 0.00 0.00 6 Q 8.61 4.83 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 7 V 8.60 4.28 2.25 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 1.01 0.00 0.00 0.80 0.00 0.00 8 Q 9.15 3.25 0.00 2.28 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 9 G 9.28 3.82 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 0.00 0.00 0.00 10 V 7.70 4.23 1.73 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 0.42 0.00 0.00 0.87 0.00 0.00 11 R 8.13 4.78 0.00 1.48 1.41 0.00 3.17 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 12 Y 8.98 4.55 0.00 2.86 2.84 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 0.00 0.00 0.00 13 Y 8.81 4.86 0.00 2.86 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 14 V 9.16 4.45 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 0.85 0.00 0.00 0.94 0.00 0.00 15 E 9.69 4.84 0.00 2.03 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 2.28 2.25 0.00 16 S 7.59 4.65 0.00 3.97 3.91 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 17 E 8.65 3.88 0.00 2.06 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 2.34 2.36 0.00 18 D 7.98 4.31 0.00 2.71 2.65 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 19 D 7.69 4.32 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 3.86 0.00 1.54 1.45 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.24 3.26 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 1.10 0.00 0.00 0.47 0.00 0.00 22 S 7.62 4.06 0.00 4.01 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 23 V 7.71 3.18 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 0.33 0.00 0.00 0.72 0.00 0.00 24 A 7.96 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.06 0.00 3.39 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.12 4.00 0.00 2.08 1.91 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 2.42 2.43 0.00 27 L 8.24 4.20 0.00 1.82 1.73 0.68 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.19 4.08 1.41 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 29 K 7.98 4.01 0.00 2.01 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.70 7.81 30 M 7.87 4.41 0.00 2.06 2.44 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.65 0.00 31 G 7.82 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 32 Y 7.53 4.44 0.00 3.17 2.84 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 0.00 0.00 0.00 33 T 8.83 4.31 4.27 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 1.24 0.00 0.00 34 V 8.22 3.57 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 1.00 0.00 0.00 0.93 0.00 0.00 35 Q 7.95 4.30 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 36 Q 8.13 4.03 0.00 2.51 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 37 I 8.23 3.57 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.89 0.00 0.00 38 A 8.08 3.95 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 39 N 7.83 4.24 0.00 2.85 2.86 0.00 0.00 7.08 7.07 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 40 A 7.70 4.05 1.21 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 0.00 0.00 0.00 41 L 7.87 4.38 0.00 1.66 1.76 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.80 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 43 V 7.31 4.41 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 0.88 0.00 0.00 0.87 0.00 0.00 44 S 8.03 4.47 0.00 3.99 3.95 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 45 E 8.48 3.95 0.00 2.00 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 2.37 2.33 0.00 46 R 7.89 3.81 0.00 1.82 1.85 0.00 3.16 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 47 K 7.75 3.52 0.00 1.74 1.08 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.28 7.81 48 V 7.21 3.40 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 0.92 0.00 0.00 0.93 0.00 0.00 49 R 7.82 3.95 0.00 2.02 1.93 0.00 3.16 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 50 R 7.65 3.94 0.00 1.75 2.02 0.00 3.28 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 51 Y 8.24 4.54 0.00 3.13 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 52 L 8.36 4.03 0.00 1.55 1.68 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.81 4.09 0.00 2.17 2.23 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 2.34 2.42 0.00 54 S 7.84 4.37 0.00 3.96 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