NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7839 8.3549 109.7316 46.2523 0.0000 169.7266 2 S 3.5670 8.5470 122.6656 56.9339 62.8403 169.6087 3 S 4.3482 8.4030 118.5216 57.7310 63.7720 171.2811 4 G 3.8931 7.5495 118.0159 45.0943 0.0000 173.7366 5 S 4.4764 7.7327 116.4305 57.2885 65.6453 175.2094 6 S 4.7112 8.4093 115.6799 56.5763 63.7722 173.5669 7 G 3.8435 7.8829 117.7897 45.4208 0.0000 171.5077 8 C 4.4069 6.1272 117.7968 58.6310 32.9681 173.3983 9 D 4.7663 8.4351 121.9577 54.9150 42.9321 177.6324 10 S 4.3504 8.6583 113.1687 60.8032 62.5602 174.2531 11 C 4.4873 8.0598 111.7005 57.2054 31.0946 172.7903 12 E 4.3892 8.2016 117.6504 57.1920 25.9948 174.5868 13 K 4.6912 7.5250 116.8426 54.4349 36.1518 176.6004 14 Y 4.3027 8.8605 126.0195 57.8295 39.8182 175.7549 15 I 4.3128 6.8464 124.4516 59.6387 38.9545 175.6728 16 T 3.8844 8.6679 118.5351 64.2574 69.4751 175.0224 17 G 3.9871 7.4897 111.7550 44.3599 0.0000 173.2329 18 R 4.1386 8.3800 119.1707 56.4281 30.8022 176.1178 19 V 4.5324 7.8116 112.0898 59.6456 35.5453 176.2568 20 L 4.3728 9.2579 125.5818 54.0923 41.5568 174.7268 21 E 5.2679 8.7016 121.4783 54.2413 31.0028 176.1174 22 A 4.3131 8.6588 127.1802 51.7993 19.6402 174.4719 23 G 4.0926 9.7258 115.9263 45.4975 0.0000 172.0374 24 E 4.6273 7.7068 118.7097 54.7385 31.7148 174.7321 25 K 4.6160 7.7266 116.9668 55.3203 37.5061 174.8246 26 H 5.0443 7.6123 116.0407 54.7800 33.2242 172.6637 27 Y 4.8921 8.3873 118.4290 56.3770 43.0069 174.5771 28 H 4.6757 8.8262 117.5445 55.0117 29.4334 174.8225 29 P 4.7582 0.0000 0.0000 63.9483 31.1115 177.0313 30 S 4.5623 7.9325 111.5381 59.7585 65.5892 175.1923 31 C 4.0367 8.5363 117.3683 62.3724 27.9091 173.8100 32 A 4.1642 7.8630 123.9187 51.0120 17.8438 176.2973 33 L 4.8530 7.9667 121.6978 53.1531 44.9765 176.0455 34 C 3.9321 8.8556 121.8524 59.0845 31.5086 174.5901 35 V 3.3778 8.1012 121.0884 64.5222 30.6298 177.2765 36 R 4.0031 7.1781 119.0765 58.1093 30.6542 176.6850 37 C 4.3074 8.0989 113.6422 59.9333 30.9465 175.7970 38 G 4.3389 8.2571 106.8603 45.0758 0.0000 172.6755 39 Q 4.2566 7.6746 118.3826 53.8961 29.7700 176.0475 40 M 4.0866 8.3761 122.7419 55.8792 32.7458 175.6138 41 F 5.0194 8.6322 118.3249 56.0493 42.3899 173.3898 42 A 4.8276 8.4830 124.7025 51.9768 20.8837 176.9941 43 E 4.7022 9.1035 112.5147 54.7515 30.4123 176.3953 44 G 5.1323 7.4890 120.6600 47.6991 0.0000 173.2821 45 E 4.3220 7.8620 118.3408 55.4742 30.7501 176.3090 46 E 4.6020 8.5286 120.0098 54.8103 31.3936 175.4408 47 M 4.7474 8.0279 119.8591 53.7058 34.9557 173.9969 48 Y 4.4888 8.2419 115.9494 57.9258 39.2905 174.8535 49 L 5.0483 8.6628 122.6680 53.2796 44.8686 176.3721 50 Q 4.2926 8.6204 120.2834 55.4073 31.5946 173.1433 51 G 4.1889 8.6430 114.0655 45.0226 0.0000 173.3999 52 S 4.6559 7.3194 111.1656 57.0314 64.3879 175.7564 53 S 4.6786 8.0924 114.0819 56.0692 66.4039 173.4034 54 I 4.0654 7.7480 123.3875 60.0807 38.2534 174.5933 55 W 5.0490 8.4530 128.1086 54.7953 31.6163 176.0863 56 H 4.6306 9.2159 122.1846 55.2120 28.9890 174.6812 57 P 4.6806 0.0000 0.0000 65.7753 30.1469 177.9022 58 A 4.4266 8.0003 119.5177 54.4939 19.4280 178.5986 59 C 3.9801 8.2887 114.7668 62.8889 28.3771 175.9243 60 R 3.8323 8.3431 119.5059 60.2081 29.5640 178.4301 61 Q 3.7937 7.3151 116.0869 58.9906 28.7865 179.6716 62 A 4.1187 8.2666 120.4241 54.6977 19.0085 178.7799 63 A 4.3636 7.5647 118.5907 52.6527 19.0890 179.5729 64 R 3.8449 7.8739 120.9876 60.1581 30.6504 178.7824 65 T 4.4299 7.2642 112.6586 60.1583 67.5529 171.0803 66 E 4.3879 7.8907 121.6173 54.2805 30.7580 175.3034 67 D 4.2868 8.4258 126.8211 55.2029 39.9230 173.6898 68 S 4.4247 8.0319 110.8488 57.6736 64.4753 173.1591 69 G 4.2003 8.9684 117.8689 45.3313 0.0000 171.2304 70 P 4.3078 0.0000 0.0000 64.5583 31.8004 177.4436 71 S 4.5697 7.9350 113.6126 56.0275 64.2627 173.5980 72 S 4.5049 8.6504 121.0731 56.0959 61.8841 173.7906 73 G 3.7488 8.3100 114.0642 45.1729 0.0000 171.1803 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 G 8.35 3.78 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 0.00 0.00 0.00 2 S 8.55 3.57 0.00 4.09 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.40 4.35 0.00 3.71 3.63 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 4 G 7.55 3.89 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 0.00 0.00 0.00 5 S 7.73 4.48 0.00 4.12 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 6 S 8.41 4.71 0.00 3.79 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 7 G 7.88 3.84 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 0.00 0.00 0.00 8 C 6.13 4.41 0.00 2.96 2.99 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 9 D 8.44 4.77 0.00 2.51 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 10 S 8.66 4.35 0.00 3.97 3.95 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 11 C 8.06 4.49 0.00 3.14 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 12 E 8.20 4.39 0.00 2.18 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 0.00 2.23 2.31 0.00 13 K 7.52 4.69 0.00 1.78 1.75 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 14 Y 8.86 4.30 0.00 2.89 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 15 I 6.85 4.31 1.55 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.59 0.84 0.00 0.00 16 T 8.67 3.88 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 1.30 0.00 0.00 17 G 7.49 3.99 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 0.00 18 R 8.38 4.14 0.00 1.81 1.87 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 19 V 7.81 4.53 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 0.59 0.00 0.00 0.91 0.00 0.00 20 L 9.26 4.37 0.00 1.73 1.60 1.10 0.72 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 21 E 8.70 5.27 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 22 A 8.66 4.31 1.22 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 0.00 0.00 0.00 23 G 9.73 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 24 E 7.71 4.63 0.00 1.90 1.87 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 2.19 2.32 0.00 25 K 7.73 4.62 0.00 1.45 1.17 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 26 H 7.61 5.04 0.00 3.01 2.97 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.39 4.89 0.00 2.83 2.75 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 0.00 0.00 0.00 0.00 28 H 8.83 4.68 0.00 3.31 3.24 0.00 5.81 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 29 P 0.00 4.76 0.00 2.22 2.20 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 30 S 7.93 4.56 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 31 C 8.54 4.04 0.00 3.17 3.10 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 0.00 0.00 0.00 32 A 7.86 4.16 1.10 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 0.00 0.00 0.00 0.00 0.00 33 L 7.97 4.85 0.00 1.56 1.58 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.86 3.93 0.00 2.91 2.87 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 35 V 8.10 3.38 1.73 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 0.18 0.00 0.00 -0.56 0.00 0.00 36 R 7.18 4.00 0.00 2.00 1.97 0.00 3.66 0.00 0.00 3.53 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 37 C 8.10 4.31 0.00 3.10 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 38 G 8.26 4.34 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 0.00 39 Q 7.67 4.26 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 40 M 8.38 4.09 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 41 F 8.63 5.02 0.00 2.91 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 42 A 8.48 4.83 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 43 E 9.10 4.70 0.00 2.08 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 0.00 2.21 2.29 0.00 44 G 7.49 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.86 4.32 0.00 2.07 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 2.40 2.50 0.00 46 E 8.53 4.60 0.00 1.87 1.76 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 2.16 2.22 0.00 47 M 8.03 4.75 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 48 Y 8.24 4.49 0.00 3.11 2.94 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 49 L 8.66 5.05 0.00 1.57 1.63 1.03 0.90 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 50 Q 8.62 4.29 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 5.81 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 51 G 8.64 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 0.00 0.00 0.00 0.00 52 S 7.32 4.66 0.00 3.82 3.80 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 53 S 8.09 4.68 0.00 3.79 3.24 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 0.00 54 I 7.75 4.07 1.62 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.44 0.00 0.00 55 W 8.45 5.05 0.00 3.49 3.20 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 56 H 9.22 4.63 0.00 3.38 3.35 0.00 5.64 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 57 P 0.00 4.68 0.00 2.33 2.19 0.00 3.96 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 58 A 8.00 4.43 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 59 C 8.29 3.98 0.00 3.23 3.18 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 0.00 0.00 0.00 0.00 60 R 8.34 3.83 0.00 2.31 1.98 0.00 2.93 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.82 0.00 61 Q 7.32 3.79 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 62 A 8.27 4.12 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 63 A 7.56 4.36 1.21 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 64 R 7.87 3.84 0.00 1.82 1.88 0.00 3.08 0.00 0.00 3.02 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 65 T 7.26 4.43 4.16 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 1.15 0.00 0.00 66 E 7.89 4.39 0.00 1.92 1.84 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 2.15 2.17 0.00 67 D 8.43 4.29 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.42 0.00 3.79 3.63 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 69 G 8.97 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 70 P 0.00 4.31 0.00 2.19 2.19 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 71 S 7.94 4.57 0.00 3.96 3.88 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 0.00 0.00 0.00 72 S 8.65 4.50 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.31 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00