NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3151 8.2649 123.5822 51.6665 19.5499 177.7365 2 V 4.2427 7.9565 114.0639 62.1109 35.3215 171.4429 3 Q 4.2069 9.3094 121.2364 56.3625 29.8052 176.0677 4 Q 4.5328 8.6566 120.2224 55.5938 30.8789 175.1619 5 N 4.9302 7.8068 115.4710 50.8497 41.6959 173.5577 6 K 4.0367 8.6859 127.0669 55.6018 32.8563 174.7080 7 P 4.3855 0.0000 0.0000 63.0651 32.2831 175.4562 8 T 4.4452 8.0154 113.9037 60.6549 69.4273 175.1060 9 R 4.2688 8.3231 120.6837 57.1753 30.0211 177.7505 10 S 4.7604 7.5713 112.4920 58.2640 62.8474 175.0583 11 K 4.4756 7.8700 120.1571 56.3839 34.1423 178.5494 12 R 4.1778 7.9498 118.4095 59.2230 30.1462 178.4451 13 G 3.7674 7.9713 104.9749 48.0737 0.0000 175.3678 14 M 4.0963 7.9131 119.7035 58.3529 32.1447 178.3554 15 R 4.2449 7.6412 115.5589 57.6136 30.7217 177.5062 16 R 4.8083 7.3510 116.8298 55.9537 30.8625 177.8919 17 S 4.1586 7.9110 117.4925 61.4593 62.7552 175.0557 18 H 4.8347 7.8938 114.0572 55.2377 28.9690 174.6392 19 D 4.4297 7.2899 119.0876 54.8844 41.0925 175.7659 20 A 4.7701 8.0791 124.1326 51.1926 22.5796 175.7248 21 L 4.5876 7.8428 118.3275 53.9601 44.6965 176.4357 22 T 3.9787 8.5003 114.4118 63.0968 67.9520 174.4474 23 A 4.6808 8.1051 128.4873 50.7397 22.1103 176.5601 24 V 3.7890 8.7224 116.6467 63.7318 32.1751 177.7486 25 T 3.3010 8.5541 113.0418 64.4460 65.8415 170.3159 26 S 4.0423 8.2416 116.7920 57.3297 63.2629 169.9616 27 L 4.2843 8.1755 124.7376 54.8496 42.0938 177.2279 28 S 4.6230 8.3467 117.4567 58.3851 64.4410 173.5210 29 V 4.7731 8.0327 120.6062 60.0145 33.7290 175.2655 30 D 4.7051 8.8094 124.1789 54.3354 41.5041 176.5262 31 K 4.4982 8.6908 118.3830 56.6496 32.6999 177.0661 32 T 4.6912 7.4577 106.3978 60.9829 70.1351 174.2216 33 S 4.1203 8.0820 113.3221 58.1991 66.6898 175.9574 34 G 3.8732 8.2447 109.1487 45.5014 0.0000 173.4527 35 E 4.0166 7.6313 119.8254 56.2676 30.8548 176.3017 36 K 4.9525 8.9293 123.8464 54.5723 32.2283 175.4284 37 H 5.2788 8.5341 125.4573 54.3482 32.1131 172.6744 38 L 4.8363 8.5005 118.8982 53.0360 44.9468 177.0595 39 R 3.9916 8.3014 121.3230 57.5390 30.1771 175.8035 40 H 4.0131 9.6247 116.5770 56.8304 25.4021 174.2445 41 H 4.9361 7.9899 113.2947 53.9225 32.8161 173.3446 42 I 4.0370 8.4488 121.5746 61.7315 38.4138 176.1444 43 T 3.9597 8.7780 117.6177 63.0699 68.8283 175.2507 44 A 5.1441 7.4759 131.9908 52.1886 20.0169 176.8325 45 D 4.5146 8.1460 111.5327 53.4634 41.9140 175.1462 46 G 3.4254 7.9270 106.9455 46.6658 0.0000 173.6523 47 Y 3.9688 7.2964 120.6955 55.7966 39.3117 173.2063 48 Y 4.8137 7.5488 129.2377 57.1062 39.6894 176.0570 49 R 4.1795 9.1018 124.6803 57.7298 29.4318 176.8457 50 G 4.0186 8.8985 114.4669 45.5993 0.0000 171.5816 51 R 4.3442 7.2314 113.0699 55.5212 32.2147 175.1658 52 K 3.7892 7.7732 114.5538 56.0273 33.1311 175.4901 53 V 3.5746 7.6123 110.0946 62.6576 32.0192 176.1028 54 I 3.0643 8.3851 123.5607 61.8124 33.8423 174.4254 55 A 4.3651 7.8063 121.5226 52.0808 18.9635 178.3678 56 K 4.1704 8.3463 121.4630 56.7790 33.2778 176.2023 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 A 8.26 4.32 1.07 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 2 V 7.96 4.24 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 0.67 0.00 0.00 0.93 0.00 0.00 3 Q 9.31 4.21 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 4 Q 8.66 4.53 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.25 0.00 5 N 7.81 4.93 0.00 2.60 2.64 0.00 0.00 6.94 6.68 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 6 K 8.69 4.04 0.00 1.75 1.71 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.39 0.00 2.22 2.04 0.00 3.80 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 1.99 1.95 0.00 8 T 8.02 4.45 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 9 R 8.32 4.27 0.00 1.88 1.93 0.00 3.32 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 10 S 7.57 4.76 0.00 3.90 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 11 K 7.87 4.48 0.00 1.81 1.79 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.44 7.81 12 R 7.95 4.18 0.00 1.92 1.90 0.00 3.24 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 13 G 7.97 3.77 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 0.00 0.00 0.00 14 M 7.91 4.10 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 15 R 7.64 4.24 0.00 1.82 2.00 0.00 3.12 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 16 R 7.35 4.81 0.00 1.83 1.97 0.00 3.22 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 17 S 7.91 4.16 0.00 3.51 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 18 H 7.89 4.83 0.00 3.17 3.27 0.00 5.72 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 19 D 7.29 4.43 0.00 2.90 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 20 A 8.08 4.77 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.84 4.59 0.00 1.58 1.55 0.92 0.85 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 22 T 8.50 3.98 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 23 A 8.11 4.68 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.72 3.79 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 0.74 0.00 0.00 0.93 0.00 0.00 25 T 8.55 3.30 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 26 S 8.24 4.04 0.00 4.00 3.87 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 27 L 8.18 4.28 0.00 1.58 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.35 4.62 0.00 3.62 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 29 V 8.03 4.77 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 0.75 0.00 0.00 0.95 0.00 0.00 30 D 8.81 4.71 0.00 2.67 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 31 K 8.69 4.50 0.00 1.75 1.83 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.42 7.81 32 T 7.46 4.69 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 33 S 8.08 4.12 0.00 3.20 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 34 G 8.24 3.87 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 0.00 0.00 0.00 35 E 7.63 4.02 0.00 1.79 1.80 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 2.27 2.24 0.00 36 K 8.93 4.95 0.00 1.63 1.79 0.00 1.78 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.19 7.81 37 H 8.53 5.28 0.00 3.32 3.25 0.00 5.39 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 38 L 8.50 4.84 0.00 1.56 1.55 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.30 3.99 0.00 1.94 1.86 0.00 3.17 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 40 H 9.62 4.01 0.00 3.21 3.41 0.00 5.88 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.99 4.94 0.00 3.42 3.23 0.00 5.72 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 42 I 8.45 4.04 2.00 0.00 0.00 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 1.61 0.86 0.98 0.00 0.00 43 T 8.78 3.96 4.19 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 1.15 0.00 0.00 44 A 7.48 5.14 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 45 D 8.15 4.51 0.00 2.77 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 46 G 7.93 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.30 3.97 0.00 3.15 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 48 Y 7.55 4.81 0.00 3.18 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 49 R 9.10 4.18 0.00 1.98 2.06 0.00 3.39 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 50 G 8.90 4.02 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 0.00 0.00 0.00 51 R 7.23 4.34 0.00 1.83 1.96 0.00 3.12 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.46 0.00 52 K 7.77 3.79 0.00 1.21 1.44 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.38 7.81 53 V 7.61 3.57 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 0.73 0.00 0.00 1.07 0.00 0.00 54 I 8.39 3.06 1.88 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 1.36 0.64 0.91 0.00 0.00 55 A 7.81 4.37 1.23 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 0.00 0.00 0.00 56 K 8.35 4.17 0.00 1.68 1.64 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.37 7.81