NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 S 4.3475 8.3301 116.7920 58.3694 64.2804 172.4387 27 A 4.2616 7.4928 124.1205 51.6374 22.6702 174.6484 28 C 4.4728 8.4272 117.4137 60.1436 33.3050 175.7662 29 K 4.8320 9.2862 117.4918 61.1138 30.2528 173.4757 30 D 4.2508 8.4893 113.0536 55.8394 39.8578 176.6679 31 S 3.1883 7.5744 120.3074 59.6980 62.1191 174.4032 32 D 4.7494 7.2134 121.0476 53.1375 38.9667 175.2778 33 W 5.3988 7.9275 118.2235 56.3196 30.9349 174.5772 34 P 4.8190 0.0000 0.0000 60.9711 32.6367 174.6817 35 F 4.2385 8.6147 121.3342 58.3656 40.0578 173.3245 36 C 4.9863 8.5875 119.6841 58.0585 29.9318 173.8593 37 S 4.7811 8.9169 117.8344 56.7103 63.9806 174.7037 38 D 4.4513 8.7201 123.9360 57.6660 40.9052 178.9564 39 E 4.1843 8.5560 117.8251 60.2328 29.9422 178.4357 40 D 4.6611 8.1515 118.7048 57.0926 41.0295 177.4770 41 W 4.8665 7.3682 125.5759 59.3675 30.8715 175.8881 42 N 3.8235 7.6922 120.4068 53.5926 35.8501 174.3092 43 Y 4.8466 7.8697 113.7616 56.6165 39.7282 175.2696 44 K 4.1983 7.1812 113.9045 56.5029 34.8062 173.8594 45 C 4.8252 8.4216 121.1919 56.5791 31.1235 172.0008 46 P 4.2495 0.0000 0.0000 62.9424 31.4065 175.7297 47 S 4.5691 8.6448 114.7289 58.4382 62.7882 176.1033 48 G 3.8433 8.1328 112.0039 47.6625 0.0000 174.3473 49 C 3.6858 8.0969 118.6381 62.4684 28.4406 176.1175 50 R 3.8380 8.2479 119.5348 60.3813 29.6137 178.1179 51 M 3.8428 8.1288 116.9546 59.1291 31.9126 178.1467 52 K 3.9089 8.3984 117.8358 60.1563 32.2736 179.0575 53 G 3.9203 8.2814 104.6345 47.6905 0.0000 175.6301 54 L 3.9403 7.8263 121.1065 57.6319 41.9693 179.1790 55 I 3.6980 8.2586 120.4700 64.9745 37.2131 177.7908 56 D 4.4024 9.0976 120.5033 56.9004 40.5872 178.0574 57 E 3.7996 8.3920 119.7464 59.7496 29.6683 179.0807 58 V 2.9952 8.0761 118.0303 66.0117 31.3502 176.9981 59 N 4.3857 7.6673 114.9995 57.1525 38.7267 176.0443 60 Q 4.4255 7.6904 121.2389 58.9714 29.0668 178.3458 61 D 4.3661 7.7501 118.9899 57.7316 40.6972 179.2251 62 F 4.6903 7.8437 117.0971 60.5019 39.0778 177.2998 63 T 4.2333 8.2849 110.3846 64.0324 69.0194 176.3754 64 N 4.2147 8.5893 121.2436 55.7326 37.2121 177.2497 65 R 3.6267 8.1919 119.9287 58.3429 29.9563 179.2810 66 I 3.7616 8.9556 120.8238 64.2335 37.2155 177.6341 67 N 4.2635 8.0895 116.8670 56.5449 38.2579 176.9211 68 K 3.8881 8.6396 120.1577 59.7212 32.0837 179.2216 69 L 4.0588 7.8468 118.3788 57.8031 41.4233 179.5391 70 K 3.8797 8.0521 117.2359 59.7507 32.1224 178.8969 71 N 4.5120 8.5875 115.4574 56.3280 38.7470 177.5512 72 S 4.4069 8.7222 116.4413 60.8415 63.0533 174.7735 73 L 4.3168 7.5982 127.6990 54.6025 41.8584 181.3464 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 26 S 8.33 4.35 0.00 3.86 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 27 A 7.49 4.26 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 0.00 0.00 0.00 0.00 0.00 28 C 8.43 4.47 0.00 2.86 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 29 K 9.29 4.83 0.00 1.74 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.53 7.81 30 D 8.49 4.25 0.00 2.70 2.75 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 31 S 7.57 3.19 0.00 3.13 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 32 D 7.21 4.75 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 5.40 0.00 3.21 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 34 P 0.00 4.82 0.00 2.25 2.13 0.00 3.82 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 1.93 1.89 0.00 35 F 8.61 4.24 0.00 3.00 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 36 C 8.59 4.99 0.00 3.08 2.92 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 37 S 8.92 4.78 0.00 3.92 3.99 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 38 D 8.72 4.45 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 4.18 0.00 2.08 2.17 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 2.42 2.36 0.00 40 D 8.15 4.66 0.00 2.99 2.83 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 0.00 0.00 0.00 41 W 7.37 4.87 0.00 3.24 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 42 N 7.69 3.82 0.00 2.14 1.92 0.00 0.00 6.78 7.46 0.00 0.00 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 Y 7.87 4.85 0.00 2.96 2.80 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 0.00 0.00 0.00 0.00 44 K 7.18 4.20 0.00 1.75 1.74 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.34 7.81 45 C 8.42 4.83 0.00 2.82 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 46 P 0.00 4.25 0.00 2.10 2.14 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 47 S 8.64 4.57 0.00 3.89 3.83 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 0.00 0.00 0.00 48 G 8.13 3.84 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 0.00 0.00 0.00 49 C 8.10 3.69 0.00 2.98 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 50 R 8.25 3.84 0.00 1.94 2.17 0.00 3.19 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 51 M 8.13 3.84 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 52 K 8.40 3.91 0.00 1.83 2.01 0.00 2.06 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 53 G 8.28 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 54 L 7.83 3.94 0.00 1.77 1.70 0.95 0.73 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 55 I 8.26 3.70 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.06 0.93 0.00 0.00 56 D 9.10 4.40 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 3.80 0.00 2.01 2.12 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 2.19 2.29 0.00 58 V 8.08 3.00 2.15 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 1.00 0.00 0.00 0.79 0.00 0.00 59 N 7.67 4.39 0.00 2.93 3.02 0.00 0.00 6.94 7.00 0.00 0.00 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 Q 7.69 4.43 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 61 D 7.75 4.37 0.00 2.57 2.62 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 62 F 7.84 4.69 0.00 3.19 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 63 T 8.28 4.23 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 1.34 0.00 0.00 64 N 8.59 4.21 0.00 2.99 3.17 0.00 0.00 7.14 7.20 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 65 R 8.19 3.63 0.00 2.26 2.09 0.00 3.16 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 66 I 8.96 3.76 2.06 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 1.84 0.99 0.93 0.00 0.00 67 N 8.09 4.26 0.00 2.94 2.90 0.00 0.00 7.05 7.68 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 68 K 8.64 3.89 0.00 1.97 1.89 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.56 7.81 69 L 7.85 4.06 0.00 1.87 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.05 3.88 0.00 1.85 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 71 N 8.59 4.51 0.00 2.75 2.88 0.00 0.00 7.14 8.11 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 72 S 8.72 4.41 0.00 3.98 4.05 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 0.00 0.00 0.00 0.00 73 L 7.60 4.32 0.00 1.57 1.38 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00