NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3594 8.1744 110.9434 61.2011 70.6075 173.5099 6 N 4.8162 7.8464 120.5622 53.0354 39.4303 173.1750 7 S 4.4120 8.1818 112.0110 57.7575 64.8484 172.9545 8 D 4.9379 8.4921 122.2918 54.4630 42.6353 174.2413 9 F 5.3151 7.8479 114.5400 55.5109 41.2695 173.9088 10 V 4.5639 8.7595 112.4687 59.5520 35.1879 174.8383 11 V 4.8469 8.6123 123.6993 61.3120 33.8915 174.4265 12 I 4.9217 8.9660 128.6047 59.4118 40.6993 174.0984 13 K 5.0526 9.1211 129.1593 54.2697 34.3914 175.1183 14 A 4.4393 8.7418 130.2989 52.1830 19.2042 177.4087 15 L 4.6896 9.1036 121.9558 54.4507 42.7137 175.6805 16 E 4.6256 7.6688 115.8848 55.2973 32.2873 174.0891 17 D 4.5860 8.3974 118.8214 55.1431 41.5952 176.8507 18 G 3.8585 8.3542 109.4589 46.0022 0.0000 173.9937 19 V 3.9008 7.6179 119.5770 62.8208 32.9813 174.3064 20 N 5.2858 9.0475 124.9611 51.5398 41.0821 173.7147 21 V 4.5087 8.6577 124.6951 61.4248 33.4360 174.2312 22 I 4.5040 8.6792 130.0802 59.3891 39.5645 175.1187 23 G 4.0021 8.7806 115.2414 45.3079 0.0000 172.5167 24 L 5.4540 8.8304 126.8940 53.2537 43.8869 176.4454 25 T 4.4846 8.8208 114.6431 61.6772 69.2575 174.2884 26 R 4.3852 7.9551 126.5157 56.8862 30.1790 175.2680 27 G 3.7426 8.7704 109.7334 44.1344 0.0000 173.8682 28 A 4.1134 8.5922 121.5535 54.0873 18.7005 177.4552 29 D 4.8461 7.2386 111.6600 52.9436 42.8503 176.1176 30 T 4.6951 8.2998 121.4696 61.7441 70.2859 172.8183 31 R 4.6885 8.8227 122.6734 54.1033 33.9242 173.9223 32 F 5.4769 8.6186 117.8861 57.3175 39.2976 175.8166 33 H 4.9324 9.0850 118.7717 56.6879 30.3800 174.4413 34 H 4.6810 7.6171 116.4848 55.0762 33.2268 172.1484 35 S 4.8166 8.2606 119.5843 56.3925 64.5301 172.4225 36 E 4.4131 8.9754 129.5648 55.0319 30.8805 174.7870 37 K 4.8268 8.6092 126.8218 55.4235 33.4365 175.9560 38 L 4.9342 8.9055 125.3391 53.0944 44.6959 176.2289 39 D 4.8424 9.4512 123.5181 52.6086 43.1509 175.9058 40 K 4.0851 9.3876 122.3382 58.3159 32.3681 176.5393 41 G 4.0686 9.0690 115.4619 45.3008 0.0000 173.7047 42 E 4.2701 8.0559 119.0595 56.2425 30.8411 176.1374 43 V 4.9052 8.2782 121.6937 61.0108 34.4096 174.2471 44 L 4.7430 9.1274 129.7216 53.2521 44.8596 174.7970 45 I 5.0357 8.4999 126.5282 59.5875 39.2573 174.7628 46 A 4.7012 8.8294 128.9195 50.0746 21.9795 175.4687 47 Q 4.7598 8.6553 120.9584 55.2898 30.1538 175.8955 48 F 4.6135 8.5473 120.2217 58.0046 39.9567 175.1352 49 T 4.6537 8.6565 110.7560 60.3783 71.8366 173.0593 50 E 4.0097 8.9591 121.4169 59.6027 29.5835 177.4317 51 H 4.4954 8.1460 113.8549 56.5865 29.7889 174.2306 52 T 5.1540 8.1697 116.5236 62.0132 71.2310 174.3765 53 S 4.9758 8.9515 120.4764 58.0916 64.8174 173.4973 54 A 5.1674 7.9008 121.4042 51.1102 22.6194 175.0990 55 I 4.9633 8.5387 120.3920 59.3566 40.6484 174.7853 56 K 4.6364 8.9902 128.0867 54.4838 35.0294 174.7042 57 V 4.8490 8.3413 125.6602 61.1220 34.0898 174.5195 58 R 4.5397 9.0250 126.7659 55.4171 32.8173 176.0627 59 G 4.1544 9.0394 109.8461 44.1306 0.0000 172.7265 60 K 4.4809 9.3192 121.5332 56.2826 33.0772 175.7076 61 A 5.0550 8.7969 127.4741 51.0857 23.4033 173.7287 62 Y 5.0052 9.2122 121.5568 56.0036 41.2219 174.5993 63 I 4.9079 8.4522 126.9545 59.4759 40.9685 174.2380 64 Q 4.9102 8.9264 126.1015 54.2822 31.6295 174.9297 65 T 4.8316 8.6022 113.5965 59.3767 72.3568 174.7576 66 R 3.7545 8.4987 120.5434 59.4072 29.9507 176.5176 67 H 4.7134 8.3304 112.8035 55.2055 29.3232 174.4451 68 G 3.7522 6.8071 106.7292 44.1048 0.0000 173.1507 69 V 4.7913 7.8819 112.5855 59.9238 34.8295 175.1515 70 I 4.5054 8.2305 121.4728 60.1077 41.9258 172.8304 71 E 5.3287 8.6546 126.5147 54.4979 31.9781 176.1515 72 S 4.5555 8.9108 119.2894 58.1245 65.0044 172.8511 73 E 4.9008 8.7186 119.9554 54.5111 32.6253 176.3382 74 G 3.7225 8.6775 111.3739 45.6805 0.0000 173.1220 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 5 T 8.17 4.36 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 6 N 7.85 4.82 0.00 2.76 2.83 0.00 0.00 7.11 6.75 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 7 S 8.18 4.41 0.00 4.07 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 8 D 8.49 4.94 0.00 2.77 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 9 F 7.85 5.32 0.00 2.99 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 10 V 8.76 4.56 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 0.59 0.00 0.00 0.87 0.00 0.00 11 V 8.61 4.85 2.11 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 1.12 0.00 0.00 1.14 0.00 0.00 12 I 8.97 4.92 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.90 0.00 0.00 13 K 9.12 5.05 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.74 4.44 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.10 4.69 0.00 1.62 1.70 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.63 0.00 2.03 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 2.19 2.33 0.00 17 D 8.40 4.59 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 19 V 7.62 3.90 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 1.06 0.00 0.00 1.01 0.00 0.00 20 N 9.05 5.29 0.00 2.60 2.59 0.00 0.00 6.32 7.65 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 21 V 8.66 4.51 2.03 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 0.99 0.00 0.00 0.89 0.00 0.00 22 I 8.68 4.50 1.36 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.39 -0.41 0.00 0.00 23 G 8.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 5.45 0.00 1.92 1.71 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.82 4.48 4.32 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 1.36 0.00 0.00 26 R 7.96 4.39 0.00 1.91 1.95 0.00 3.24 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.77 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 0.00 0.00 0.00 28 A 8.59 4.11 1.29 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 0.00 0.00 0.00 29 D 7.24 4.85 0.00 2.63 2.57 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 0.00 0.00 0.00 30 T 8.30 4.70 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 1.28 0.00 0.00 31 R 8.82 4.69 0.00 1.81 1.98 0.00 2.78 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.62 5.48 0.00 2.89 2.87 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 33 H 9.09 4.93 0.00 3.11 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.68 0.00 3.33 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.26 4.82 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.41 0.00 2.16 1.78 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 2.26 2.32 0.00 37 K 8.61 4.83 0.00 1.66 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.42 7.81 38 L 8.91 4.93 0.00 1.53 1.53 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.45 4.84 0.00 2.55 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.39 4.09 0.00 1.69 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 9.07 4.07 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 0.00 0.00 0.00 42 E 8.06 4.27 0.00 2.06 1.88 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 2.33 2.26 0.00 43 V 8.28 4.91 2.09 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.13 4.74 0.00 1.72 1.45 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.04 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.71 0.00 0.00 46 A 8.83 4.70 1.12 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 47 Q 8.66 4.76 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.55 4.61 0.00 3.03 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 49 T 8.66 4.65 4.30 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 1.31 0.00 0.00 50 E 8.96 4.01 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.27 0.00 51 H 8.15 4.50 0.00 3.25 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.17 5.15 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 1.33 0.00 0.00 53 S 8.95 4.98 0.00 3.81 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 54 A 7.90 5.17 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 55 I 8.54 4.96 1.85 0.00 0.00 0.24 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 0.70 0.83 0.00 0.00 56 K 8.99 4.64 0.00 1.79 1.49 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.36 7.81 57 V 8.34 4.85 2.06 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 0.86 0.00 0.00 0.89 0.00 0.00 58 R 9.03 4.54 0.00 1.74 1.77 0.00 3.11 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 59 G 9.04 4.15 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 0.00 0.00 0.00 60 K 9.32 4.48 0.00 1.84 1.72 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.80 5.06 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 62 Y 9.21 5.01 0.00 3.00 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 63 I 8.45 4.91 1.86 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 1.16 0.49 0.82 0.00 0.00 64 Q 8.93 4.91 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 65 T 8.60 4.83 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 1.14 0.00 0.00 66 R 8.50 3.75 0.00 1.71 1.70 0.00 3.14 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 H 8.33 4.71 0.00 3.19 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.81 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 0.00 0.00 0.00 69 V 7.88 4.79 1.88 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 0.69 0.00 0.00 1.01 0.00 0.00 70 I 8.23 4.51 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 0.85 0.00 0.00 71 E 8.65 5.33 0.00 1.91 1.88 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 2.42 2.46 0.00 72 S 8.91 4.56 0.00 3.96 3.98 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 73 E 8.72 4.90 0.00 1.83 1.86 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 2.21 2.29 0.00 74 G 8.68 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00