NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 K 4.1223 8.3149 121.7859 55.5592 32.6377 175.2641 17 P 4.1252 0.0000 0.0000 60.1664 31.3926 173.0928 18 C 5.1695 8.4439 118.3453 54.5626 40.9621 173.5844 19 C 5.0969 9.3533 119.3331 55.8578 46.2848 174.3640 20 D 4.2850 10.5624 127.2920 55.8188 41.4350 175.8601 21 H 4.8522 8.8937 119.0108 54.5300 32.5035 171.3552 22 C 5.3386 8.7710 126.1152 54.9745 42.9646 172.6774 23 S 4.9007 8.8348 122.1513 57.0003 64.8539 172.5050 24 C 5.6454 8.5961 121.4290 55.0392 43.4762 174.1139 25 T 4.1566 8.8115 113.6059 61.3297 69.5945 174.0637 26 K 4.4334 8.4231 119.2730 56.2932 31.9940 176.6965 27 S 4.7247 7.7018 115.1352 56.6625 65.3823 172.1895 28 I 4.7350 7.9127 120.5073 58.6840 39.0835 174.2203 29 P 4.5033 0.0000 0.0000 61.6025 32.4438 174.3085 30 P 4.6592 0.0000 0.0000 62.5256 33.1803 174.9313 31 Q 4.8771 8.9300 120.7831 54.6144 31.0906 173.9336 32 C 5.6401 9.5276 122.4749 55.0023 44.2723 173.5407 33 R 4.9493 9.0537 118.5069 54.5082 33.2385 172.9722 34 C 5.0476 8.7550 120.6327 55.9276 44.3121 173.2776 35 T 4.2804 8.5611 115.7551 61.4253 69.0290 174.8169 36 D 4.4204 7.9527 122.2022 55.1599 41.3374 175.4394 37 L 4.8183 8.3613 122.5975 53.4093 43.1361 176.0630 38 R 4.7836 9.1351 122.8527 54.0618 34.0561 175.0558 39 L 4.5376 8.4022 121.0834 55.8435 42.0637 176.6177 40 D 5.0109 10.3225 127.4001 55.0313 40.4451 174.4548 41 S 4.5023 7.1503 108.5682 57.6141 65.0357 175.3678 42 C 4.5155 8.4701 119.5313 56.0110 35.8789 172.9938 43 H 4.3852 8.1938 116.8146 55.4139 28.4047 176.5797 44 S 4.1061 8.6784 113.7665 60.6869 62.8728 174.8105 45 A 4.5109 7.8861 121.9531 51.8872 19.0031 177.1026 46 C 4.6389 7.8544 117.8059 56.5954 44.2425 173.5225 47 K 4.0510 9.7118 126.4490 57.3838 32.7186 176.1929 48 S 4.5475 8.7666 114.8770 56.5864 63.9214 171.7014 49 C 5.2971 8.6826 127.3733 54.6589 41.5148 172.5694 50 I 4.7844 8.7411 120.3841 59.5054 40.1119 173.9916 51 C 5.5156 8.4525 119.9898 55.3561 44.3869 173.9668 52 T 4.1261 8.5424 111.8530 61.2359 69.2185 175.2369 53 L 4.3708 7.9983 124.6571 52.9442 40.2950 174.9238 54 S 4.6209 7.2758 114.9491 57.3018 66.5429 173.6028 55 I 4.6575 7.9411 120.6160 58.6116 39.6281 174.1409 56 P 4.4208 0.0000 0.0000 62.1801 32.3625 175.9065 57 A 4.3892 8.2904 121.9087 51.6789 20.0249 176.1193 58 Q 4.9960 9.2842 120.3904 54.4045 31.3289 174.1974 59 C 5.4924 9.3752 121.8096 55.0098 43.2762 173.1380 60 V 4.8431 8.8647 122.4338 61.1715 34.1276 173.3978 61 C 4.9844 8.8311 128.3446 55.5145 44.3634 172.7294 62 D 5.0294 8.6141 127.2236 52.9350 39.6679 176.3701 63 D 4.4258 8.3443 118.3675 55.7823 41.4048 175.9683 64 I 4.5176 8.0867 123.4305 59.9210 38.9817 174.6651 65 D 4.7261 8.8488 123.7761 52.9506 44.8275 175.1464 66 D 5.4211 8.6968 116.3707 52.2478 39.5633 175.8374 67 F 4.8786 6.9505 112.6492 56.3894 40.7065 173.7313 68 C 4.6891 8.4291 118.6549 55.5248 41.5534 173.7226 69 Y 4.6073 8.3410 121.3269 57.6354 38.4697 175.6458 70 E 4.2911 8.8900 119.3670 55.6792 31.0907 174.5305 71 P 5.3335 0.0000 0.0000 62.5313 32.4434 177.2597 72 C 4.4440 8.8545 118.0674 57.3864 41.2501 173.9048 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 16 K 8.31 4.12 0.00 1.72 1.81 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 17 P 0.00 4.13 0.00 2.01 1.44 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 18 C 8.44 5.17 0.00 3.18 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 19 C 9.35 5.10 0.00 3.10 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 20 D 10.56 4.28 0.00 2.62 2.73 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 0.00 0.00 0.00 0.00 21 H 8.89 4.85 0.00 3.17 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.77 5.34 0.00 3.01 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 23 S 8.83 4.90 0.00 3.74 3.71 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 24 C 8.60 5.65 0.00 2.78 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 25 T 8.81 4.16 4.23 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 0.00 0.00 1.20 0.00 0.00 26 K 8.42 4.43 0.00 1.76 1.85 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.40 7.81 27 S 7.70 4.72 0.00 3.98 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 28 I 7.91 4.74 1.87 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 1.47 0.95 0.91 0.00 0.00 29 P 0.00 4.50 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 P 0.00 4.66 0.00 2.12 2.21 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 2.24 1.85 0.00 31 Q 8.93 4.88 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 32 C 9.53 5.64 0.00 2.84 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 33 R 9.05 4.95 0.00 1.76 1.93 0.00 2.75 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 34 C 8.76 5.05 0.00 3.10 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 35 T 8.56 4.28 4.28 0.00 0.00 0.00 0.00 0.00 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 36 D 7.95 4.42 0.00 2.70 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 37 L 8.36 4.82 0.00 1.52 1.59 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.14 4.78 0.00 1.74 1.77 0.00 3.10 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 39 L 8.40 4.54 0.00 1.53 1.58 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 D 10.32 5.01 0.00 2.79 2.85 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 41 S 7.15 4.50 0.00 3.89 3.76 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 42 C 8.47 4.52 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.19 4.39 0.00 3.26 3.34 0.00 5.46 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.68 4.11 0.00 4.00 4.08 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 0.00 0.00 0.00 45 A 7.89 4.51 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 46 C 7.85 4.64 0.00 2.62 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 47 K 9.71 4.05 0.00 1.99 1.85 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 48 S 8.77 4.55 0.00 3.83 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 49 C 8.68 5.30 0.00 2.95 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 50 I 8.74 4.78 1.86 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 1.36 0.83 0.90 0.00 0.00 51 C 8.45 5.52 0.00 2.80 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 52 T 8.54 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 L 8.00 4.37 0.00 1.65 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.28 4.62 0.00 3.94 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 55 I 7.94 4.66 1.87 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 1.47 0.95 0.91 0.00 0.00 56 P 0.00 4.42 0.00 2.15 2.04 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 57 A 8.29 4.39 1.25 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 0.00 0.00 0.00 58 Q 9.28 5.00 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 C 9.38 5.49 0.00 2.77 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 60 V 8.86 4.84 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 1.02 0.00 0.00 0.92 0.00 0.00 61 C 8.83 4.98 0.00 2.90 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 62 D 8.61 5.03 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.43 0.00 2.72 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 64 I 8.09 4.52 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.87 0.00 0.00 65 D 8.85 4.73 0.00 1.98 1.54 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 66 D 8.70 5.42 0.00 2.80 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 67 F 6.95 4.88 0.00 2.98 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 68 C 8.43 4.69 0.00 3.00 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 69 Y 8.34 4.61 0.00 2.89 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 70 E 8.89 4.29 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 71 P 0.00 5.33 0.00 1.98 2.07 0.00 3.75 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 72 C 8.85 4.44 0.00 3.38 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00