NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8941 8.3549 109.7369 45.7662 0.0000 172.1830 2 R 4.1226 7.8169 116.7960 55.0397 31.6197 175.8976 3 K 4.5630 8.3986 122.7404 56.1984 33.3802 177.0735 4 R 4.1958 7.3682 116.6231 55.5482 31.2571 177.2393 5 K 4.5181 7.6050 125.1820 53.9799 32.2089 175.0697 6 I 4.5352 7.4283 113.5747 59.0791 40.5765 174.7044 7 D 4.8616 8.1977 121.9254 53.0558 43.1292 175.1076 8 R 4.6484 7.9322 126.4278 57.2404 32.3740 176.4855 9 D 4.3870 7.6064 117.7987 56.4532 40.7641 177.5598 10 A 4.0512 7.6980 121.0454 54.8136 18.7426 179.0971 11 V 3.7043 7.6289 114.6493 65.8610 32.0107 178.3488 12 L 4.1913 8.0240 119.7000 58.1428 41.6347 178.6755 13 N 4.4774 7.9035 115.8168 56.0189 38.6499 177.1768 14 M 4.0680 7.8205 120.2569 58.2757 32.2003 178.8480 15 W 4.2624 7.9221 118.5305 59.7549 29.2317 178.2536 16 Q 4.3276 8.1624 115.8729 57.6277 28.2448 177.3676 17 Q 4.4714 7.6179 116.6621 54.7124 30.6139 174.8065 18 G 3.6414 8.0835 107.5158 46.0537 0.0000 171.5902 19 L 4.7271 7.0612 117.9038 53.5877 45.7869 176.4554 20 G 3.5342 8.4894 106.8581 47.2099 0.0000 177.3696 21 A 3.0217 7.6061 126.4576 52.9233 21.3924 178.1681 22 S 4.0653 7.7423 112.9588 62.1286 63.3876 176.8380 23 H 4.0726 8.2519 120.2832 59.1702 28.2625 177.1273 24 I 3.6514 7.4190 120.2022 62.9171 36.7201 177.1524 25 S 4.8184 7.7767 115.1790 58.6647 62.7677 175.9741 26 K 3.9483 7.5675 120.7223 59.5705 32.0310 179.0161 27 T 4.1532 7.4270 114.5374 65.4964 68.7483 174.3737 28 M 4.1786 6.9160 120.8282 53.3967 31.5491 173.3376 29 N 4.5990 8.3770 126.5075 53.8802 38.6413 173.0730 30 I 4.3337 8.2042 115.0301 59.1881 41.4788 174.1079 31 A 4.1545 8.4884 126.7460 51.9596 19.2254 178.7409 32 R 3.8047 8.6091 116.4770 59.7130 29.8891 179.1412 33 S 4.4850 8.0625 115.4928 61.5067 63.0680 176.5358 34 T 3.9418 7.9212 118.1096 66.5852 68.1328 176.6373 35 V 3.6866 7.7411 120.3213 66.0363 31.5640 177.3382 36 Y 4.4980 7.7775 115.4836 59.8174 37.5251 178.0396 37 K 4.0591 7.7213 119.4696 59.2185 32.4444 179.2019 38 V 4.4489 7.5965 119.3203 65.7887 31.4657 177.9308 39 I 3.6133 7.9575 119.6102 64.4404 36.6123 178.0109 40 N 4.3687 7.9991 117.1806 56.6821 38.7718 176.5792 41 E 4.0425 8.1948 119.9885 57.2932 29.2213 177.9757 42 S 3.9076 7.4111 111.4769 59.2553 61.1740 171.7869 43 N 4.5289 7.6018 123.4155 53.1929 37.1992 174.6288 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 G 8.35 3.89 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 0.00 0.00 0.00 2 R 7.82 4.12 0.00 1.88 1.86 0.00 3.17 0.00 0.00 3.19 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 3 K 8.40 4.56 0.00 1.66 1.75 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.48 7.81 4 R 7.37 4.20 0.00 1.84 1.79 0.00 3.21 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 5 K 7.60 4.52 0.00 1.66 1.69 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.44 7.81 6 I 7.43 4.54 1.88 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 1.56 0.45 0.92 0.00 0.00 7 D 8.20 4.86 0.00 2.66 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 8 R 7.93 4.65 0.00 2.06 2.12 0.00 2.84 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 9 D 7.61 4.39 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.05 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 11 V 7.63 3.70 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 1.18 0.00 0.00 0.97 0.00 0.00 12 L 8.02 4.19 0.00 2.03 1.70 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.90 4.48 0.00 3.08 2.86 0.00 0.00 7.07 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 14 M 7.82 4.07 0.00 1.66 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.87 0.00 15 W 7.92 4.26 0.00 3.44 3.29 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 16 Q 8.16 4.33 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 17 Q 7.62 4.47 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.13 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 18 G 8.08 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.06 4.73 0.00 1.38 1.23 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.49 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.61 3.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.74 4.07 0.00 3.86 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 23 H 8.25 4.07 0.00 3.18 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.42 3.65 1.44 0.00 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.28 -0.01 0.00 0.00 25 S 7.78 4.82 0.00 3.83 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 26 K 7.57 3.95 0.00 1.65 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.41 7.81 27 T 7.43 4.15 4.17 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 1.18 0.00 0.00 28 M 6.92 4.18 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 29 N 8.38 4.60 0.00 2.75 2.77 0.00 0.00 7.05 7.93 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 30 I 8.20 4.33 1.86 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 1.12 0.40 0.91 0.00 0.00 31 A 8.49 4.15 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 32 R 8.61 3.80 0.00 2.00 2.09 0.00 3.19 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 33 S 8.06 4.49 0.00 3.96 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 34 T 7.92 3.94 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 V 7.74 3.69 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 1.46 0.00 0.00 0.93 0.00 0.00 36 Y 7.78 4.50 0.00 3.30 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 K 7.72 4.06 0.00 2.03 1.90 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.53 7.81 38 V 7.60 4.45 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 1.31 0.00 0.00 0.97 0.00 0.00 39 I 7.96 3.61 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 1.10 0.36 0.00 0.00 40 N 8.00 4.37 0.00 2.88 2.97 0.00 0.00 7.25 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 41 E 8.19 4.04 0.00 2.37 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 2.34 2.55 0.00 42 S 7.41 3.91 0.00 4.04 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 43 N 7.60 4.53 0.00 2.94 2.80 0.00 0.00 6.68 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00