NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2918 8.1593 112.9301 60.7154 68.9205 172.8133 2 W 4.3933 8.1260 125.2051 55.5136 29.1342 175.1730 3 L 4.3472 6.2594 120.0571 52.2848 42.9267 175.0100 4 P 4.2933 0.0000 0.0000 64.7600 31.9205 176.3893 5 T 4.6312 7.3214 105.7461 59.8209 71.8004 172.8656 6 L 4.4297 8.1681 119.0778 54.6376 42.6793 177.1592 7 V 3.7563 7.6083 119.4777 62.6761 31.7693 174.9857 8 T 4.7743 8.4709 123.3466 61.4514 71.3968 173.8356 9 A 4.3165 8.5576 128.4547 55.0574 18.7587 178.5273 10 T 4.4002 7.6340 105.2976 58.5748 73.0568 172.7338 11 P 2.0000 0.0000 0.0000 65.1836 31.2468 178.7221 12 Q 3.8115 7.5535 117.5334 59.3149 29.1386 178.0105 13 E 4.3254 7.8972 119.3665 59.1981 29.1607 179.5990 14 G 4.0204 8.0883 105.8830 47.8347 0.0000 175.2922 15 F 3.9742 8.3709 123.0454 61.0796 39.3099 177.0150 16 D 4.4520 8.1589 118.1465 57.3679 40.5937 178.4919 17 L 3.9729 8.1493 120.6282 58.1417 41.8304 178.8251 18 A 4.0673 7.7011 119.3694 54.4637 18.7852 179.3184 19 V 3.6457 7.4149 116.7389 65.7474 31.7276 177.5300 20 K 3.9997 8.3241 119.9381 59.2878 31.5606 178.4538 21 L 4.1326 8.2968 119.2972 58.3598 41.4437 180.0321 22 S 4.2828 7.7181 113.5518 60.9918 62.7204 176.6928 23 R 4.0087 8.3381 121.3963 58.6797 30.1793 178.7298 24 I 3.4510 7.6320 112.1991 63.9601 37.1249 177.7944 25 A 3.9425 7.5744 121.4081 54.9331 18.1512 179.8614 26 V 3.4633 7.0756 113.8446 65.7960 31.3989 178.0160 27 K 3.7931 7.9526 118.6776 59.6481 32.0737 178.4987 28 K 4.0323 8.0602 117.8281 59.5904 32.0283 179.1053 29 T 4.3306 7.5085 108.9361 62.7878 69.8003 174.5192 30 Q 4.3387 7.8863 121.8840 53.5252 29.1553 172.4398 31 P 4.5409 0.0000 0.0000 62.7677 32.4125 177.6926 32 D 4.5074 8.8242 120.8003 53.1179 38.7883 175.9928 33 A 4.0558 8.3222 126.6569 54.1972 18.5691 178.7137 34 Q 3.8201 8.3047 118.2259 59.1413 29.3522 178.3108 35 V 3.6759 7.9631 113.4323 64.3862 31.5107 178.5403 36 R 4.0816 8.1219 117.4339 59.5882 29.7944 178.6232 37 D 4.3790 7.6338 118.2318 57.5413 41.0001 178.8656 38 T 3.8874 7.7468 115.9593 66.7467 68.4042 176.7604 39 L 4.2033 8.5614 121.2173 57.3357 41.6030 179.3786 40 R 3.9041 8.1531 118.8007 59.5821 29.8422 178.4854 41 A 4.7563 7.5025 119.7402 54.3524 18.0354 179.6718 42 V 3.7067 7.3164 116.2841 66.3834 31.7576 177.8467 43 Y 4.0866 8.3228 117.8274 59.5457 38.1753 177.0007 44 E 3.9456 7.7373 118.9081 57.5182 29.1487 177.9093 45 K 4.5118 7.2485 117.7350 55.8656 33.4917 175.4125 46 D 4.8696 8.4693 119.5891 52.7111 43.1831 175.9168 47 A 3.9787 8.5715 129.2415 55.3213 18.6190 178.5083 48 N 4.1707 8.3136 113.8598 56.6166 38.6721 176.9574 49 A 4.0021 8.4253 121.5993 55.5706 18.4589 179.7429 50 L 4.2698 8.1518 116.9403 57.8598 41.6056 180.1405 51 I 3.7447 7.8961 119.7423 64.3840 36.6800 178.2834 52 A 4.0252 8.4006 121.9375 55.0125 18.2109 179.9044 53 V 3.5565 8.2448 117.5388 66.1446 31.6316 178.2748 54 S 4.1983 7.9691 112.5311 61.0271 62.3311 175.7899 55 A 3.9948 8.1418 123.7227 55.3426 18.1207 179.7485 56 V 3.5590 7.4773 115.7257 66.0145 31.6315 178.2660 57 V 3.8128 7.5044 116.8752 63.6092 31.5368 178.2045 58 A 4.1700 7.8678 122.3311 55.3869 18.0943 179.7617 59 T 3.8739 7.8580 113.8707 67.0292 68.6033 176.8033 60 H 4.1967 8.1208 118.1259 59.0097 28.7093 177.6514 61 F 4.4078 8.3705 122.3171 61.2800 39.2113 176.9131 62 Q 3.8989 8.0855 118.8932 59.3862 28.8864 178.4253 63 T 3.7726 7.5711 116.6584 66.6814 68.5873 176.4184 64 I 3.7679 7.8830 119.6688 63.0418 37.9806 177.5002 65 A 3.2255 7.8842 122.1792 54.6818 17.9510 178.9332 66 A 2.8047 6.8731 117.3028 55.0830 18.6643 179.0730 67 A 3.9158 7.4590 118.6669 55.6776 18.3183 179.8365 68 N 4.1887 7.3699 111.3504 52.5392 37.9599 175.0038 69 D 4.2781 8.3196 117.4840 55.1597 40.3090 173.2108 70 Y 3.4999 7.2732 110.3194 57.5780 36.0647 170.3287 71 W 3.9996 7.8525 125.7603 57.4381 29.9283 174.2860 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 T 8.16 4.29 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 2 W 8.13 4.39 0.00 3.65 3.25 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 3 L 6.26 4.35 0.00 0.27 0.53 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.29 0.00 2.17 2.09 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 5 T 7.32 4.63 4.27 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 1.17 0.00 0.00 6 L 8.17 4.43 0.00 1.57 1.68 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.61 3.76 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 0.78 0.00 0.00 0.86 0.00 0.00 8 T 8.47 4.77 4.93 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 1.54 0.00 0.00 9 A 8.56 4.32 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 10 T 7.63 4.40 4.07 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 1.19 0.00 0.00 11 P 0.00 2.00 0.00 1.80 1.69 0.00 3.16 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 12 Q 7.55 3.81 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 13 E 7.90 4.33 0.00 2.23 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 2.35 2.32 0.00 14 G 8.09 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 15 F 8.37 3.97 0.00 2.76 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 16 D 8.16 4.45 0.00 2.96 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 17 L 8.15 3.97 0.00 1.96 1.96 1.00 1.10 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 18 A 7.70 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 3.65 2.20 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 1.05 0.00 0.00 0.87 0.00 0.00 20 K 8.32 4.00 0.00 2.03 1.98 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 21 L 8.30 4.13 0.00 1.39 1.30 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.72 4.28 0.00 4.09 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 23 R 8.34 4.01 0.00 1.85 1.92 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 24 I 7.63 3.45 1.18 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.74 0.83 0.00 0.00 25 A 7.57 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.08 3.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 27 K 7.95 3.79 0.00 1.64 1.82 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 28 K 8.06 4.03 0.00 1.76 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 1.31 7.81 29 T 7.51 4.33 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 1.23 0.00 0.00 30 Q 7.89 4.34 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 31 P 0.00 4.54 0.00 2.19 2.10 0.00 3.80 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 1.95 1.92 0.00 32 D 8.82 4.51 0.00 2.67 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 33 A 8.32 4.06 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 34 Q 8.30 3.82 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 35 V 7.96 3.68 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 0.78 0.00 0.00 1.00 0.00 0.00 36 R 8.12 4.08 0.00 2.02 2.02 0.00 3.11 0.00 0.00 3.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 37 D 7.63 4.38 0.00 2.70 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 38 T 7.75 3.89 4.36 0.00 0.00 0.00 0.00 0.00 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 39 L 8.56 4.20 0.00 1.72 1.81 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.15 3.90 0.00 2.12 2.16 0.00 2.51 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 41 A 7.50 4.76 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 42 V 7.32 3.71 2.30 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 1.09 0.00 0.00 1.03 0.00 0.00 43 Y 8.32 4.09 0.00 3.17 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 44 E 7.74 3.95 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 45 K 7.25 4.51 0.00 1.65 1.82 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.31 7.81 46 D 8.47 4.87 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.17 0.00 2.94 2.93 0.00 0.00 6.83 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 49 A 8.43 4.00 1.53 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 50 L 8.15 4.27 0.00 1.92 1.80 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.90 3.74 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.93 0.00 0.00 52 A 8.40 4.03 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 53 V 8.24 3.56 2.26 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 1.04 0.00 0.00 0.81 0.00 0.00 54 S 7.97 4.20 0.00 4.07 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 55 A 8.14 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 3.56 2.19 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 1.05 0.00 0.00 0.99 0.00 0.00 57 V 7.50 3.81 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 0.78 0.00 0.00 0.23 0.00 0.00 58 A 7.87 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.86 3.87 4.30 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 1.18 0.00 0.00 60 H 8.12 4.20 0.00 3.21 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.37 4.41 0.00 3.08 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 62 Q 8.09 3.90 0.00 2.42 2.31 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 2.38 2.46 0.00 63 T 7.57 3.77 4.38 0.00 0.00 0.00 0.00 0.00 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 64 I 7.88 3.77 1.90 0.00 0.00 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 1.75 1.55 1.10 0.00 0.00 65 A 7.88 3.23 0.99 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 0.00 0.00 66 A 6.87 2.80 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 67 A 7.46 3.92 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 68 N 7.37 4.19 0.00 1.44 1.42 0.00 0.00 6.99 7.38 0.00 0.00 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 D 8.32 4.28 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.27 3.50 0.00 3.17 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 71 W 7.85 4.00 0.00 3.57 3.05 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