NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1852 8.2549 119.6881 54.9172 31.8480 175.1007 2 P 4.0397 0.0000 0.0000 62.0995 31.8615 176.3362 3 D 4.3828 8.4133 121.7151 57.1232 41.7985 178.6369 4 F 4.3243 7.9495 114.6327 59.7320 37.5391 177.8343 5 C 4.6835 7.5160 116.1626 59.1569 40.0243 174.7002 6 L 4.3475 7.8412 118.7794 54.0131 42.0800 176.5086 7 E 4.3421 7.5028 119.4235 54.7135 30.3129 174.9898 8 P 4.3904 0.0000 0.0000 61.5729 32.0747 174.4196 9 P 3.5909 0.0000 0.0000 62.7341 31.3587 175.2116 10 Y 4.6388 7.8116 121.0073 56.1234 40.5154 175.3959 11 T 4.1522 8.3265 125.2134 65.1775 68.8747 176.0256 12 G 3.6334 6.8574 105.4640 43.9551 0.0000 171.0877 13 P 4.3578 0.0000 0.0000 64.5024 31.9469 177.6252 14 C 4.5245 7.8603 116.6564 56.9761 40.7541 173.2365 15 L 4.6255 8.0618 119.4811 54.5834 41.5890 176.7318 16 A 4.3385 7.7655 121.3463 50.9098 21.2000 177.7670 17 R 4.7125 8.0265 117.2500 54.5187 29.5892 172.9333 18 I 4.3842 8.3299 122.3545 59.1211 39.6564 175.3214 19 I 4.2079 8.2819 128.5194 61.3237 37.7083 175.4867 20 R 4.8432 8.3508 124.8419 54.7802 35.1560 173.4200 21 Y 5.6461 9.5348 117.8498 56.5494 41.2310 175.2968 22 F 5.7517 9.5526 116.9838 55.4264 41.9005 172.8253 23 Y 4.4777 9.9616 122.6763 57.1558 40.2232 173.6774 24 N 4.7887 7.9664 125.9536 51.5421 39.4832 174.7661 25 A 3.7914 8.4738 130.1325 54.9888 18.8408 178.8620 26 K 4.0268 8.0080 114.1529 59.0859 32.1845 178.0510 27 A 4.1774 7.9547 119.7167 52.0857 19.5278 178.0392 28 G 3.9527 9.1671 103.6557 44.9502 0.0000 172.4626 29 L 4.8060 6.8566 118.5648 54.3392 44.3818 175.1522 30 C 4.9627 8.6423 116.4174 56.4109 39.9044 173.3164 31 Q 4.9027 8.6392 120.8647 54.1737 32.9112 174.6852 32 T 4.8705 8.4875 110.8526 61.5357 70.6227 173.5420 33 F 4.9810 8.8297 116.8565 56.0831 42.0628 172.8298 34 V 4.3505 8.3963 119.6657 61.8887 32.2983 174.1081 35 Y 4.7706 8.8056 130.1165 56.0310 40.2514 176.5299 36 G 3.7936 8.2053 113.6900 46.3441 0.0000 174.9580 37 G 3.7363 6.0983 107.2224 45.3757 0.0000 172.5009 38 C 5.0248 6.7850 111.4066 54.1864 44.6331 173.0891 39 R 3.8575 8.8729 116.1900 56.9363 27.1139 176.8035 40 A 4.1876 8.4433 119.3650 52.6104 18.8533 178.6370 41 K 4.3070 8.3314 121.3717 55.0764 33.6994 177.3539 42 R 3.4736 7.9958 118.0133 58.8199 30.3821 177.5842 43 N 4.8492 7.7369 118.1021 51.4367 37.4735 174.3495 44 N 5.1389 6.6710 116.5867 52.7649 41.7267 173.0886 45 F 5.0283 9.5369 124.6861 55.6385 42.5207 176.4515 46 K 4.5517 8.8516 121.7247 58.0982 32.8566 177.8466 47 S 4.4930 7.7830 112.8678 55.4457 67.2411 174.5963 48 A 3.3605 7.2945 124.8175 54.8444 18.0220 179.8156 49 E 3.7202 7.7726 117.3748 59.5661 29.9428 178.5430 50 D 4.2837 7.9328 118.8469 57.4799 40.8995 178.0916 51 C 2.4500 7.5792 118.2981 59.0876 44.6191 175.7051 52 L 3.8579 7.8988 120.8296 57.7541 40.9231 179.7360 53 R 3.8996 7.8930 117.3232 58.8300 29.9914 178.4321 54 T 4.2832 7.2326 114.1315 64.7899 69.4581 174.8988 55 C 4.4900 8.2632 115.9385 55.7439 42.0455 174.0710 56 G 3.7958 7.3152 109.1796 47.3989 0.0000 174.1527 57 G 3.8563 8.8964 111.8851 45.0550 0.0000 173.1410 58 A 4.0650 7.2708 127.3222 52.3996 18.2427 177.3395 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 R 8.25 4.19 0.00 1.66 1.70 0.00 3.32 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 2 P 0.00 4.04 0.00 0.67 1.56 0.00 3.24 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 3 D 8.41 4.38 0.00 2.69 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 4 F 7.95 4.32 0.00 3.22 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 7.52 4.68 0.00 2.99 3.21 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 6 L 7.84 4.35 0.00 1.74 1.76 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.50 4.34 0.00 2.22 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 2.42 2.45 0.00 8 P 0.00 4.39 0.00 2.08 2.01 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 3.59 0.00 0.75 0.49 0.00 3.27 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.00 10 Y 7.81 4.64 0.00 2.79 2.88 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 0.00 0.00 0.00 11 T 8.33 4.15 4.11 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 0.00 0.00 0.00 1.18 0.00 0.00 12 G 6.86 3.63 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 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.18 2.19 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.86 4.52 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 15 L 8.06 4.63 0.00 1.55 1.60 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.77 4.34 1.17 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 0.00 0.00 0.00 0.00 0.00 17 R 8.03 4.71 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 18 I 8.33 4.38 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.98 0.00 0.00 19 I 8.28 4.21 1.81 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 1.26 0.40 0.68 0.00 0.00 20 R 8.35 4.84 0.00 0.83 1.89 0.00 3.43 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 21 Y 9.53 5.65 0.00 3.17 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 22 F 9.55 5.75 0.00 3.10 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 Y 9.96 4.48 0.00 3.08 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 24 N 7.97 4.79 0.00 2.37 2.42 0.00 0.00 6.71 8.86 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 25 A 8.47 3.79 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.01 4.03 0.00 1.92 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 7.95 4.18 1.17 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 0.00 0.00 0.00 0.00 0.00 28 G 9.17 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 0.00 0.00 0.00 29 L 6.86 4.81 0.00 1.70 1.73 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.64 4.96 0.00 2.89 3.15 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 31 Q 8.64 4.90 0.00 1.36 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 32 T 8.49 4.87 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 0.81 0.00 0.00 33 F 8.83 4.98 0.00 3.03 3.17 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 0.00 0.00 0.00 34 V 8.40 4.35 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.81 4.77 0.00 2.51 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 36 G 8.21 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 0.00 0.00 0.00 37 G 6.10 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 38 C 6.79 5.02 0.00 3.06 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 39 R 8.87 3.86 0.00 2.27 2.25 0.00 3.28 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.44 4.19 0.95 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 0.00 0.00 41 K 8.33 4.31 0.00 1.72 1.67 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.01 7.81 42 R 8.00 3.47 0.00 0.84 0.66 0.00 2.55 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 43 N 7.74 4.85 0.00 3.23 2.90 0.00 0.00 6.69 7.79 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 44 N 6.67 5.14 0.00 2.67 2.56 0.00 0.00 7.08 7.02 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 45 F 9.54 5.03 0.00 3.30 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 46 K 8.85 4.55 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 S 7.78 4.49 0.00 3.85 3.88 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 0.00 0.00 0.00 48 A 7.29 3.36 0.90 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 49 E 7.77 3.72 0.00 1.95 1.87 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 2.31 2.33 0.00 50 D 7.93 4.28 0.00 2.98 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 51 C 7.58 2.45 0.00 2.67 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 52 L 7.90 3.86 0.00 1.72 1.61 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.89 3.90 0.00 1.84 1.94 0.00 3.11 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 54 T 7.23 4.28 4.14 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 0.00 0.00 0.00 1.61 0.00 0.00 55 C 8.26 4.49 0.00 2.70 2.29 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 56 G 7.32 3.80 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 0.00 0.00 0.00 57 G 8.90 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 58 A 7.27 4.07 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00