NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2932 8.3033 121.4656 56.3024 31.6922 177.9180 3 I 3.6960 7.5035 119.1358 63.7475 37.0171 176.8183 4 T 3.9059 8.6153 117.7699 66.5580 68.3797 176.0826 5 K 4.1000 7.9345 119.3088 58.8269 31.9994 179.3680 6 T 4.1206 7.1141 114.3610 66.3387 68.6774 176.7135 7 L 4.1817 8.1730 120.1301 57.2412 41.8230 178.5469 8 L 4.6282 8.0589 116.3885 54.0680 42.1143 176.3512 9 N 4.8543 7.4659 117.7704 50.6610 40.7120 174.5643 10 I 3.7010 8.6091 124.7424 64.1460 37.6868 177.6690 11 R 3.9138 7.8772 116.1701 59.6419 29.5101 179.0198 12 S 4.1554 7.9795 116.1633 60.7099 62.9640 176.1725 13 L 4.0318 8.3646 123.5846 58.2589 41.6143 179.0328 14 R 3.9280 8.0127 117.3505 59.1799 30.2488 178.1996 15 A 4.1127 7.8420 120.7375 55.3238 18.4138 178.7114 16 Y 4.0817 7.9754 117.7386 61.1115 38.7458 178.3393 17 A 3.5887 8.1711 121.2319 55.1117 18.1556 179.6262 18 R 3.8715 7.6365 115.4516 58.7142 30.1385 178.1447 19 E 4.1731 7.8479 117.0874 56.3112 29.9417 176.2520 20 L 4.5237 6.9260 118.8918 53.3985 44.0022 176.6701 21 T 4.3688 7.8462 116.5510 62.5896 71.0898 175.9852 22 I 3.7308 8.1672 122.5865 64.3490 37.9383 177.9014 23 E 3.9755 8.0763 119.7088 59.3726 29.5686 178.6828 24 Q 4.0057 7.9092 117.6714 58.8169 28.7776 178.5095 25 L 4.0218 8.3897 120.4949 57.8937 41.5966 179.4395 26 E 3.9822 8.7865 118.9472 59.1301 29.3708 178.9733 27 E 3.8945 8.4575 119.4221 59.1937 29.7284 178.7714 28 A 4.0151 8.1604 120.8314 55.1368 18.4944 179.3625 29 L 3.9418 8.1571 118.9702 58.3924 42.1510 178.9949 30 D 4.3838 8.4024 119.1116 57.1044 40.7613 178.8834 31 K 3.9601 8.1545 119.0177 59.4958 32.1508 179.1566 32 L 3.9950 8.0460 120.5112 58.3496 41.9221 179.1585 33 T 3.8743 7.9862 115.7360 67.0604 68.3542 176.7827 34 T 3.9191 7.9981 117.5668 66.4890 68.3004 177.0258 35 V 3.5741 7.9297 120.3688 65.9778 31.6998 178.3342 36 V 3.5831 7.9491 118.0123 65.9056 31.2993 178.1486 37 Q 4.0051 8.0851 118.0223 58.9034 28.4098 178.2896 38 E 3.9973 8.2789 118.8421 59.3904 29.8880 179.3477 39 R 4.0719 8.3070 118.3877 59.0865 30.0871 179.1695 40 K 3.9268 7.8884 117.8858 59.6037 31.9678 179.0417 41 E 3.9726 8.0589 117.0585 58.3959 29.5863 177.8035 42 A 4.2522 7.5906 118.7759 53.6067 18.9869 177.8756 43 E 4.2881 8.2115 116.8119 56.7428 30.0667 177.3126 44 A 3.9582 7.9029 120.9765 54.5285 19.0001 178.4254 45 E 4.3157 8.0727 113.3977 57.1483 30.1005 177.1465 46 E 4.3703 7.5594 116.1937 57.5051 30.1583 177.2514 47 I 4.0705 7.4078 120.7123 63.5327 37.6425 177.3474 48 A 3.8083 8.5195 123.1209 54.2610 18.4216 177.2609 49 A 4.2557 7.3494 124.2917 52.3046 19.2632 176.6469 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 2 E 8.30 4.29 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 3 I 7.50 3.70 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.13 0.82 0.00 0.00 4 T 8.62 3.91 4.22 0.00 0.00 0.00 0.00 0.00 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 5 K 7.93 4.10 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 T 7.11 4.12 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 7 L 8.17 4.18 0.00 1.54 1.71 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.06 4.63 0.00 1.67 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.47 4.85 0.00 3.10 2.71 0.00 0.00 6.55 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 10 I 8.61 3.70 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 1.70 1.23 0.92 0.00 0.00 11 R 7.88 3.91 0.00 2.08 2.18 0.00 3.02 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 12 S 7.98 4.16 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.03 0.00 2.15 1.70 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.01 3.93 0.00 2.09 2.13 0.00 3.33 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 15 A 7.84 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.98 4.08 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 3.59 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 3.87 0.00 1.91 1.97 0.00 3.15 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 19 E 7.85 4.17 0.00 1.76 1.89 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 2.27 2.33 0.00 20 L 6.93 4.52 0.00 1.53 1.48 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.85 4.37 4.22 0.00 0.00 0.00 0.00 0.00 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 22 I 8.17 3.73 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 1.52 0.90 0.90 0.00 0.00 23 E 8.08 3.98 0.00 2.11 1.92 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 2.37 2.46 0.00 24 Q 7.91 4.01 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 25 L 8.39 4.02 0.00 1.77 1.71 0.88 0.91 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 26 E 8.79 3.98 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 27 E 8.46 3.89 0.00 2.15 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 0.00 2.32 2.34 0.00 28 A 8.16 4.02 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.16 3.94 0.00 1.90 1.86 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.40 4.38 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.96 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.66 7.81 32 L 8.05 4.00 0.00 1.77 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.99 3.87 4.43 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 1.21 0.00 0.00 34 T 8.00 3.92 4.39 0.00 0.00 0.00 0.00 0.00 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 35 V 7.93 3.57 2.21 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 1.08 0.00 0.00 1.00 0.00 0.00 36 V 7.95 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 37 Q 8.09 4.01 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 38 E 8.28 4.00 0.00 2.05 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 2.35 2.47 0.00 39 R 8.31 4.07 0.00 2.02 1.97 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 40 K 7.89 3.93 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.74 7.81 41 E 8.06 3.97 0.00 1.98 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 0.00 2.32 2.33 0.00 42 A 7.59 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 4.29 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.63 0.00 44 A 7.90 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.32 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.23 0.00 46 E 7.56 4.37 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 47 I 7.41 4.07 1.98 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 1.57 0.93 0.91 0.00 0.00 48 A 8.52 3.81 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 49 A 7.35 4.26 1.29 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 0.00 0.00