NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9417 8.3549 109.7371 45.2681 0.0000 173.5299 3 K 3.9469 8.5537 121.6611 55.5524 32.9931 170.8601 4 V 4.5221 8.6361 121.2933 61.4678 35.6027 173.4605 5 Y 4.9508 8.8833 124.4166 56.1066 40.8030 174.6757 6 K 4.4370 8.0717 123.2081 54.5363 34.7564 174.8576 7 K 5.0703 8.5057 125.6317 54.8010 34.4308 175.9341 8 V 4.5651 8.7254 116.8082 59.5134 35.7411 174.2440 9 E 5.0227 8.8229 124.8122 55.0573 30.4709 174.9311 10 L 4.9000 8.9500 126.9308 52.8418 45.8508 175.8784 11 V 4.7603 8.3195 120.3458 61.2303 33.5470 174.9707 12 G 4.6108 9.0205 116.4439 44.9706 0.0000 172.0481 13 T 5.8037 8.0695 113.0545 59.1369 72.1419 173.0606 14 S 4.6614 8.2650 114.5637 57.9574 65.3821 175.3810 15 E 4.5187 9.1135 124.7427 57.7368 30.0927 177.6742 16 E 4.2212 8.3321 118.7634 57.4931 30.3206 176.3369 17 G 3.3089 7.0799 104.1752 44.1901 0.0000 173.5091 18 L 3.6923 7.3708 118.1301 57.8394 41.5236 179.1521 19 E 3.8622 8.0939 117.7410 59.6205 29.4046 179.3067 20 A 3.9271 7.8795 119.7437 54.9738 18.4913 179.4023 21 A 3.9202 7.8712 119.0699 55.2954 18.5186 179.8019 22 I 3.4867 7.7821 118.3807 64.7964 37.1110 178.7337 23 Q 3.9027 8.3406 118.7966 58.6673 28.4811 178.7361 24 A 3.9192 8.1165 121.7089 55.0398 18.3655 179.5224 25 A 3.8714 7.8187 118.6536 55.4631 18.5873 179.7991 26 L 3.8553 7.7946 117.1720 57.5748 41.3623 179.6929 27 A 3.9334 8.0134 120.5711 55.1333 18.7329 179.3561 28 R 3.9138 7.9459 116.9923 59.2941 30.0501 178.4536 29 A 3.9342 8.0859 121.0761 55.1668 18.2356 179.5979 30 R 4.0792 7.7485 112.1514 58.3421 29.6790 178.6561 31 K 4.1286 7.7615 119.0329 58.8630 32.0753 177.5354 32 T 4.5160 7.6658 105.3107 60.3894 70.3942 173.5312 33 L 4.4491 7.8058 121.9530 52.7590 43.7095 175.8511 34 R 4.4921 7.8251 120.0812 55.5201 33.3201 174.8412 35 H 4.1490 8.4127 113.5337 56.9467 26.0105 175.2633 36 L 4.6147 8.0564 118.7764 55.1997 42.3390 175.8214 37 D 5.1508 9.2783 122.7000 55.3489 43.1382 176.3500 38 F 5.2705 7.5968 111.6622 55.1020 41.7407 172.8878 39 F 5.6160 8.4538 113.7251 55.4707 41.7155 173.8033 40 E 4.6508 9.2800 118.1811 54.8101 33.6832 174.9619 41 V 4.2169 8.6797 125.3223 63.0425 31.7494 175.5779 42 K 4.4967 9.3262 128.4622 58.5829 33.0460 176.7052 43 E 4.7943 7.8281 115.1091 55.3967 32.9944 174.1777 44 I 4.8907 8.3529 120.9109 59.9869 39.9214 174.8433 45 R 4.7498 9.7482 126.5526 54.9011 34.7009 174.1412 46 G 4.1979 7.6758 105.8411 47.3489 0.0000 171.7572 47 T 4.8371 7.9045 109.4825 59.8386 72.0162 173.3503 48 I 4.8691 8.2356 122.1843 59.8479 40.5832 175.4935 49 G 4.0938 9.0820 114.1755 44.1263 0.0000 171.9225 50 E 3.7893 9.0891 118.5775 59.1103 29.4607 178.3611 51 A 4.5716 7.9250 118.2369 51.9140 20.3481 176.3532 52 G 3.9790 7.5916 106.3085 44.4664 0.0000 176.9742 53 V 3.6860 8.2337 125.6672 63.0304 31.3386 174.8570 54 K 4.1604 8.6343 130.2232 58.3573 32.4466 176.0509 55 E 4.7828 7.9343 119.7861 54.4463 33.1958 173.5343 56 Y 4.6266 9.1388 125.1302 57.7995 39.8811 174.7426 57 Q 4.6796 9.3944 122.1935 54.4088 32.6461 174.2667 58 V 4.7094 8.8451 125.9039 61.0597 33.7831 174.6567 59 V 4.5108 8.7650 129.3647 62.0647 32.7800 174.4140 60 L 5.2890 9.1666 129.9030 53.3719 45.7355 174.5803 61 E 5.0526 9.5788 125.3987 54.9040 31.9019 175.0072 62 V 4.7156 9.0901 124.5289 61.0155 34.5391 174.1452 63 G 3.7651 8.5305 115.9377 44.0857 0.0000 172.2419 64 F 5.6690 8.5731 119.4958 54.7167 41.5829 174.1554 65 R 3.7682 8.8374 122.4652 56.0336 30.5463 175.9248 66 L 4.4290 8.4765 127.9442 54.2460 42.1344 177.0595 67 E 4.1423 8.9134 122.1280 56.3720 30.4095 176.5359 68 E 4.4514 8.5802 119.2918 56.9258 30.7535 176.3353 69 T 4.2079 7.5780 113.5144 61.7562 68.9937 173.5363 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 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 3.95 0.00 1.89 1.49 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.50 7.81 4 V 8.64 4.52 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 0.98 0.00 0.00 0.91 0.00 0.00 5 Y 8.88 4.95 0.00 2.87 2.89 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 6 K 8.07 4.44 0.00 1.51 0.74 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.20 7.81 7 K 8.51 5.07 0.00 1.67 1.71 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.47 7.81 8 V 8.73 4.57 2.16 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 0.87 0.00 0.00 1.13 0.00 0.00 9 E 8.82 5.02 0.00 2.00 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 2.24 2.36 0.00 10 L 8.95 4.90 0.00 1.59 1.50 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.32 4.76 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 0.87 0.00 0.00 0.94 0.00 0.00 12 G 9.02 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 5.80 4.37 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 1.26 0.00 0.00 14 S 8.26 4.66 0.00 3.89 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 15 E 9.11 4.52 0.00 2.03 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 2.52 2.34 0.00 16 E 8.33 4.22 0.00 1.97 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 2.40 0.00 17 G 7.08 3.31 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 0.00 18 L 7.37 3.69 0.00 1.54 1.62 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.09 3.86 0.00 1.98 1.96 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 2.38 2.43 0.00 20 A 7.88 3.93 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 21 A 7.87 3.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.49 1.86 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 1.41 0.85 0.38 0.00 0.00 23 Q 8.34 3.90 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 24 A 8.12 3.92 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 25 A 7.82 3.87 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 26 L 7.79 3.86 0.00 1.62 1.65 0.62 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.01 3.93 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 28 R 7.95 3.91 0.00 1.93 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 8.09 3.93 1.35 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 0.00 0.00 30 R 7.75 4.08 0.00 1.95 2.03 0.00 3.05 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 31 K 7.76 4.13 0.00 1.88 1.88 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.62 7.81 32 T 7.67 4.52 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 1.16 0.00 0.00 33 L 7.81 4.45 0.00 1.41 0.90 0.46 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.83 4.49 0.00 1.58 1.43 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 35 H 8.41 4.15 0.00 3.61 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.06 4.61 0.00 1.66 1.65 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.28 5.15 0.00 2.86 2.96 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 38 F 7.60 5.27 0.00 2.91 3.01 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 0.00 0.00 0.00 39 F 8.45 5.62 0.00 3.13 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 40 E 9.28 4.65 0.00 1.98 1.88 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 2.28 2.47 0.00 41 V 8.68 4.22 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 0.85 0.00 0.00 1.13 0.00 0.00 42 K 9.33 4.50 0.00 1.80 1.87 0.00 2.01 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 43 E 7.83 4.79 0.00 2.02 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 0.00 2.30 2.36 0.00 44 I 8.35 4.89 1.92 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 1.39 0.72 1.01 0.00 0.00 45 R 9.75 4.75 0.00 1.68 1.82 0.00 3.44 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 G 7.68 4.20 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 0.00 47 T 7.90 4.84 4.20 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 1.19 0.00 0.00 48 I 8.24 4.87 1.84 0.00 0.00 0.84 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 0.63 0.88 0.00 0.00 49 G 9.08 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.09 3.79 0.00 1.93 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 2.29 2.32 0.00 51 A 7.93 4.57 1.26 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 0.00 0.00 0.00 52 G 7.59 3.98 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 0.00 0.00 0.00 53 V 8.23 3.69 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.68 0.00 0.00 54 K 8.63 4.16 0.00 1.80 1.75 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.35 7.81 55 E 7.93 4.78 0.00 1.95 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 56 Y 9.14 4.63 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.39 4.68 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 58 V 8.85 4.71 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 1.00 0.00 0.00 0.96 0.00 0.00 59 V 8.77 4.51 2.11 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 0.80 0.00 0.00 0.95 0.00 0.00 60 L 9.17 5.29 0.00 1.74 1.45 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.58 5.05 0.00 2.00 1.91 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 2.30 2.29 0.00 62 V 9.09 4.72 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 63 G 8.53 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 64 F 8.57 5.67 0.00 3.40 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.84 3.77 0.00 1.82 1.86 0.00 3.10 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.05 0.00 66 L 8.48 4.43 0.00 1.52 1.57 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.91 4.14 0.00 2.08 1.99 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 2.33 2.46 0.00 68 E 8.58 4.45 0.00 1.95 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 2.20 2.22 0.00 69 T 7.58 4.21 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 1.20 0.00 0.00