NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4465 8.3044 120.3513 55.8819 32.4080 174.7208 2 D 4.5709 8.3699 122.5599 52.7624 44.4372 174.7506 3 Y 4.1517 8.0071 116.8030 62.2905 38.6480 177.7348 4 L 4.1975 8.0211 120.3336 58.9943 40.6732 179.6225 5 R 4.0172 8.0626 118.7421 59.2928 30.1038 178.5839 6 E 4.0370 8.3651 118.4157 59.1684 29.3989 179.4990 7 L 4.0862 7.9890 119.0108 57.9307 41.7385 178.5720 8 Y 3.9688 8.4593 119.8267 60.8665 38.5504 178.0433 9 K 4.4695 8.3963 115.3946 57.4152 32.2398 177.8159 10 L 4.6142 7.4793 118.8242 56.1130 43.3399 178.5555 11 E 3.9974 8.6884 118.7810 59.5828 29.3865 179.4295 12 Q 4.0110 8.3160 118.1864 58.8536 28.8884 178.7634 13 Q 3.9848 8.1368 118.5451 58.8530 28.7594 178.5337 14 A 4.0303 8.2820 121.9245 55.3216 18.4149 179.1046 15 M 4.0806 8.3781 117.0632 59.0070 32.3768 178.3111 16 K 3.8919 8.2986 118.5796 59.7653 32.2350 179.2435 17 L 3.9856 7.5345 117.6833 57.7999 41.3855 178.9554 18 Y 4.1669 7.9629 116.2861 61.1708 37.9192 178.7658 19 R 4.1101 8.2990 116.2463 58.9787 29.3565 178.4150 20 E 4.0184 8.1764 119.5459 59.2374 29.7799 178.7315 21 A 3.7351 8.1611 120.4325 54.4497 18.2887 179.2598 22 S 4.0656 7.5514 112.1212 61.8820 62.2522 176.1528 23 E 4.1416 8.1874 117.8580 58.0345 29.3013 177.8123 24 R 4.4662 7.7330 116.8750 56.8557 32.1060 177.1556 25 V 3.8024 8.2195 118.1181 63.9045 31.7695 176.5013 26 G 3.8962 8.2912 105.1874 46.9439 0.0000 172.8403 27 D 5.0482 7.7972 117.9538 51.0491 44.1789 175.8210 28 P 4.3935 0.0000 0.0000 65.6690 31.5333 179.1555 29 V 3.7193 7.7856 118.3081 64.1060 31.1606 178.1447 30 L 3.9944 7.3467 118.5643 57.7856 41.4076 178.8620 31 A 4.1056 7.9154 120.2213 54.9541 18.2727 179.3272 32 K 3.8173 7.8634 117.8395 59.7908 32.1592 179.0866 33 I 3.5417 7.7956 119.9922 64.0620 36.8729 178.3531 34 L 3.8772 7.5153 119.6624 57.8187 41.2005 179.3822 35 E 3.8972 7.9330 117.0098 59.2598 29.6298 178.7186 36 D 4.3205 7.6950 118.7835 57.5323 40.4387 178.8279 37 E 3.8923 8.1192 118.7146 58.8367 29.3772 179.1885 38 E 3.8557 8.0492 119.1438 59.3619 29.4455 179.4311 39 K 3.2447 7.2282 116.9017 59.3397 31.7061 178.6256 40 H 4.5744 7.4115 113.0857 57.4069 28.8305 176.5959 41 I 3.9756 7.2501 121.4491 62.6204 38.0348 177.2496 42 E 3.8759 7.7765 120.0278 59.2258 29.3082 179.0641 43 W 4.4770 8.1356 117.8647 59.2513 29.3823 178.0647 44 L 4.1645 7.8986 120.2901 58.4011 41.1200 178.6288 45 E 4.3840 8.0803 119.8952 58.8980 29.3776 178.7996 46 T 4.0268 7.9314 116.0447 66.2991 68.2822 175.6750 47 I 3.9905 7.4880 118.2316 62.4237 37.9840 176.9060 48 N 4.6151 8.0805 116.2572 56.0463 38.0911 175.1276 49 G 3.8193 7.6260 114.0623 45.8308 0.0000 173.2047 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 4.45 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 D 8.37 4.57 0.00 2.88 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 3 Y 8.01 4.15 0.00 3.00 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 4 L 8.02 4.20 0.00 2.05 2.06 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.06 4.02 0.00 2.06 2.05 0.00 3.25 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 6 E 8.37 4.04 0.00 2.32 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 2.35 2.49 0.00 7 L 7.99 4.09 0.00 1.96 1.75 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.46 3.97 0.00 3.26 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 9 K 8.40 4.47 0.00 1.90 1.88 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.61 7.81 10 L 7.48 4.61 0.00 1.85 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.69 4.00 0.00 1.91 1.94 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 2.42 2.49 0.00 12 Q 8.32 4.01 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.77 0.00 13 Q 8.14 3.98 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 14 A 8.28 4.03 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 15 M 8.38 4.08 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 16 K 8.30 3.89 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.66 7.81 17 L 7.53 3.99 0.00 1.70 1.51 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.96 4.17 0.00 3.10 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 R 8.30 4.11 0.00 1.96 2.10 0.00 3.08 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 20 E 8.18 4.02 0.00 2.34 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 0.00 2.29 2.36 0.00 21 A 8.16 3.74 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 22 S 7.55 4.07 0.00 3.77 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 23 E 8.19 4.14 0.00 1.98 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 2.32 2.37 0.00 24 R 7.73 4.47 0.00 1.76 1.89 0.00 3.23 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 25 V 8.22 3.80 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 0.98 0.00 0.00 0.97 0.00 0.00 26 G 8.29 3.90 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 0.00 0.00 0.00 27 D 7.80 5.05 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.25 2.30 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 29 V 7.79 3.72 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 0.97 0.00 0.00 0.91 0.00 0.00 30 L 7.35 3.99 0.00 1.98 1.84 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.92 4.11 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 32 K 7.86 3.82 0.00 1.78 1.94 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 33 I 7.80 3.54 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.38 -0.16 0.00 0.00 34 L 7.52 3.88 0.00 1.74 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.93 3.90 0.00 2.03 1.92 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 2.25 2.29 0.00 36 D 7.69 4.32 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.12 3.89 0.00 1.84 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 2.27 2.35 0.00 38 E 8.05 3.86 0.00 2.03 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 2.24 2.42 0.00 39 K 7.23 3.24 0.00 1.26 0.74 0.00 1.29 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.79 0.87 7.81 40 H 7.41 4.57 0.00 3.26 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.25 3.98 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.59 0.00 0.00 42 E 7.78 3.88 0.00 2.04 1.62 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 2.21 2.37 0.00 43 W 8.14 4.48 0.00 3.44 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 44 L 7.90 4.16 0.00 1.81 1.72 0.59 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.08 4.38 0.00 2.22 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 2.38 2.33 0.00 46 T 7.93 4.03 4.56 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 1.28 0.00 0.00 47 I 7.49 3.99 2.16 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 1.57 0.66 1.03 0.00 0.00 48 N 8.08 4.62 0.00 3.07 2.88 0.00 0.00 6.81 7.88 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 49 G 7.63 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