NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 N 4.6687 8.5245 118.1239 52.7805 40.3294 174.5909 23 R 4.0576 8.0542 119.1765 56.6540 30.0255 177.4193 24 Q 4.7523 9.8604 123.6951 53.2329 33.1124 174.0734 25 F 5.2119 8.7722 119.5879 55.6140 41.8174 174.5477 26 L 4.8379 9.2708 125.4913 53.2195 44.9881 174.8971 27 S 5.2480 8.7513 119.9952 56.5237 65.3102 172.5969 28 L 4.8383 8.9119 127.4350 53.8493 45.8970 174.8813 29 T 4.9304 8.4571 114.6034 60.4225 71.7598 174.2720 30 G 3.8249 8.6726 106.6982 45.8235 0.0000 172.7822 31 V 4.2828 7.9721 121.0563 61.8907 32.0503 176.5328 32 S 4.6028 8.5384 121.9400 59.3995 64.4218 174.1695 33 K 4.3674 7.6700 118.9724 55.4995 35.4257 173.9347 34 V 4.3964 8.3428 126.2399 61.7596 31.7067 175.2852 35 Q 4.3189 9.1844 131.4065 58.9919 29.6734 176.1006 36 S 4.7601 7.8067 109.7121 57.9010 65.7082 175.0517 37 F 5.5073 8.7228 123.0286 57.3133 42.3451 172.8383 38 D 3.5209 7.9893 122.8743 51.0414 42.2977 174.2390 39 P 4.6581 0.0000 0.0000 64.2786 31.6896 177.9861 40 K 4.9321 8.4520 118.0675 56.3753 34.3951 175.9708 41 E 5.1679 8.0889 119.6633 55.0315 33.7149 173.8413 42 I 5.1377 9.1018 127.3505 59.5266 40.7113 174.2259 43 L 5.1455 9.1529 127.2311 52.9476 44.2712 175.4047 44 L 5.1820 8.9306 123.9592 52.9165 45.2204 175.3264 45 E 4.8484 9.3130 123.2630 55.8228 30.8727 175.5795 46 T 4.8479 8.9943 118.7238 61.2736 69.9975 173.2640 47 I 3.7490 7.5880 119.7649 65.0099 37.0949 177.0658 48 Q 4.4645 10.0945 115.6292 55.3644 29.8860 175.8254 49 G 3.8070 6.7024 106.7578 44.8793 0.0000 172.6170 50 V 4.8509 8.2749 123.6786 61.3344 33.9014 174.9001 51 L 5.2817 9.2437 130.0965 53.5843 44.1606 174.6050 52 S 5.1537 9.2651 121.7097 56.6328 64.8599 172.4713 53 I 4.8871 8.7596 128.0481 59.6027 39.6099 174.7106 54 K 4.9778 9.2422 126.6547 53.8283 35.3708 176.7180 55 G 4.3066 7.9715 110.6525 45.6977 0.0000 171.7859 56 E 4.9322 8.1713 120.3960 55.3169 32.7542 175.3504 57 K 3.8289 8.7063 116.1745 57.4004 29.5977 175.7290 58 L 4.5636 7.9359 117.8494 55.2283 43.0713 176.5221 59 G 4.2139 8.8846 107.1950 45.2170 0.0000 172.0921 60 I 4.3074 7.3949 123.5337 60.0995 37.2139 175.6745 61 K 4.2565 9.0521 129.9322 58.7653 33.0691 176.2273 62 H 4.7699 7.8817 117.0505 55.1512 33.3152 172.4102 63 L 4.7805 7.8098 125.5666 54.1665 45.2194 174.8673 64 D 4.5652 9.3691 126.1633 52.3050 42.3962 175.4182 65 L 4.0388 8.4797 125.4507 57.1576 42.3108 180.0303 66 K 3.8805 8.3063 117.0848 59.1968 31.9891 177.6506 67 A 4.2580 8.1404 118.7152 51.6923 19.2482 177.3953 68 G 4.1150 7.7789 103.8676 46.2198 0.0000 172.5427 69 Q 5.1442 8.1010 121.0792 54.0057 31.2604 174.6832 70 V 5.0183 8.7768 124.8368 60.0595 35.5473 174.0789 71 E 5.1740 9.2683 121.7484 54.7327 33.1550 174.9558 72 V 5.0188 9.1494 124.3116 61.0533 35.3821 173.9484 73 E 4.7892 9.6367 122.4821 54.6726 33.6161 176.2411 74 G 3.8667 6.9958 107.0086 44.7255 0.0000 171.7930 75 L 4.6953 7.9000 122.4189 53.5490 42.4111 176.0332 76 I 4.4247 8.1389 125.4753 60.7258 37.5250 175.6375 77 D 4.7611 9.4290 127.3027 55.9957 42.7211 176.4236 78 A 4.7033 7.5917 117.3675 50.7212 22.9883 175.3710 79 L 5.1500 8.3513 118.7297 53.1703 45.4990 176.2254 80 V 4.4199 8.6903 123.7027 61.2654 34.8735 173.7236 81 Y 5.2116 8.2270 125.7808 56.4450 41.8963 171.9053 82 P 4.2486 0.0000 0.0000 61.5572 32.6416 177.1050 83 L 4.0132 9.0468 125.5191 57.9535 42.1331 178.8229 84 E 4.0668 8.0265 115.0110 58.5727 29.6790 176.9336 85 H 4.7506 7.9166 115.4329 56.0184 29.2697 174.8434 86 H 4.4840 8.0059 122.3019 55.8603 28.8176 174.0467 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 22 N 8.52 4.67 0.00 2.72 2.89 0.00 0.00 6.83 6.78 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 23 R 8.05 4.06 0.00 1.68 1.72 0.00 3.20 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.00 24 Q 9.86 4.75 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 25 F 8.77 5.21 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 4.84 0.00 1.64 1.47 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.75 5.25 0.00 3.88 3.68 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 0.00 0.00 0.00 0.00 28 L 8.91 4.84 0.00 1.71 1.37 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.46 4.93 4.23 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 1.20 0.00 0.00 30 G 8.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.97 4.28 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 0.98 0.00 0.00 0.88 0.00 0.00 32 S 8.54 4.60 0.00 3.91 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 33 K 7.67 4.37 0.00 1.81 1.63 0.00 2.02 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 34 V 8.34 4.40 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 0.86 0.00 0.00 0.91 0.00 0.00 35 Q 9.18 4.32 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 36 S 7.81 4.76 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 37 F 8.72 5.51 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 3.52 0.00 2.55 2.40 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 39 P 0.00 4.66 0.00 2.02 2.14 0.00 3.64 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 40 K 8.45 4.93 0.00 1.80 1.80 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.15 7.81 41 E 8.09 5.17 0.00 1.97 1.70 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 2.23 2.47 0.00 42 I 9.10 5.14 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.80 0.98 0.00 0.00 43 L 9.15 5.15 0.00 1.57 1.58 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.93 5.18 0.00 1.51 1.50 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 E 9.31 4.85 0.00 2.02 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 2.31 2.27 0.00 46 T 8.99 4.85 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 1.11 0.00 0.00 47 I 7.59 3.75 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.96 0.00 0.00 48 Q 10.09 4.46 0.00 1.66 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 49 G 6.70 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.85 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 1.01 0.00 0.00 0.97 0.00 0.00 51 L 9.24 5.28 0.00 1.48 1.41 0.98 0.54 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 52 S 9.27 5.15 0.00 3.90 3.70 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 53 I 8.76 4.89 1.90 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 1.22 0.58 0.92 0.00 0.00 54 K 9.24 4.98 0.00 1.68 1.66 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.35 7.81 55 G 7.97 4.31 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 56 E 8.17 4.93 0.00 2.07 1.98 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 2.16 2.25 0.00 57 K 8.71 3.83 0.00 1.87 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 58 L 7.94 4.56 0.00 1.83 1.74 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.88 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.39 4.31 1.48 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.78 0.00 0.00 61 K 9.05 4.26 0.00 1.91 2.01 0.00 2.09 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 62 H 7.88 4.77 0.00 3.25 3.07 0.00 5.92 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.81 4.78 0.00 1.54 1.38 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 D 9.37 4.57 0.00 2.68 2.49 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 65 L 8.48 4.04 0.00 1.78 1.70 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.31 3.88 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 A 8.14 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 68 G 7.78 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.10 5.14 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 70 V 8.78 5.02 2.05 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 0.76 0.00 0.00 0.93 0.00 0.00 71 E 9.27 5.17 0.00 2.01 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 2.22 2.24 0.00 72 V 9.15 5.02 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 0.98 0.00 0.00 0.89 0.00 0.00 73 E 9.64 4.79 0.00 1.40 1.86 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 2.31 2.17 0.00 74 G 7.00 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 0.00 0.00 0.00 75 L 7.90 4.70 0.00 1.77 1.62 0.90 0.77 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 76 I 8.14 4.42 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.93 0.00 0.00 77 D 9.43 4.76 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.59 4.70 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 79 L 8.35 5.15 0.00 1.46 1.56 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.69 4.42 2.03 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 0.58 0.00 0.00 0.85 0.00 0.00 81 Y 8.23 5.21 0.00 2.91 2.80 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 0.00 0.00 0.00 82 P 0.00 4.25 0.00 1.98 1.75 0.00 3.56 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.10 0.00 83 L 9.05 4.01 0.00 1.84 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.03 4.07 0.00 2.04 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 2.01 1.88 0.00 85 H 7.92 4.75 0.00 3.17 3.31 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.01 4.48 0.00 3.14 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00