NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2744 8.1744 117.3731 63.1840 70.2117 173.1469 4 Q 4.1023 8.1152 123.3022 55.3862 29.8282 173.9976 5 L 4.4804 9.2343 125.8679 53.7086 44.2791 176.9772 6 M 4.1194 8.6270 120.0456 58.8703 32.0751 178.5882 7 G 3.8469 7.4890 107.5610 47.3873 0.0000 175.4637 8 E 4.0633 7.9999 120.2705 59.1751 29.4377 179.6911 9 R 4.0162 7.7979 117.7607 59.1008 30.1643 178.9568 10 I 3.7616 8.0484 119.9237 64.4519 37.1233 178.4714 11 R 4.1602 8.3976 120.6001 58.8479 29.9113 178.3083 12 A 4.0478 8.1555 120.5862 55.3828 18.1606 179.8996 13 R 3.9469 8.0585 115.5815 59.2641 30.5518 178.9451 14 R 4.0704 8.2643 118.6915 59.4016 30.2012 178.7456 15 K 4.0264 8.5502 118.7640 59.2773 31.7540 179.2200 16 K 4.0061 7.7888 119.3440 59.3217 32.1810 178.4717 17 L 4.1518 7.6875 117.6375 54.8776 41.7405 177.1310 18 K 3.9007 7.6722 116.5695 57.3859 29.9257 175.3625 19 I 4.5133 7.5524 110.1559 58.9243 40.2348 175.7785 20 R 4.2542 8.0953 120.1574 55.7277 32.0379 177.8652 21 Q 3.9851 8.5770 119.1603 59.2520 28.6871 179.1302 22 A 3.9372 7.9762 121.0163 55.0407 18.5730 179.3976 23 A 3.9240 7.8983 118.8278 55.2370 18.6235 179.4789 24 L 4.0632 8.0891 119.1040 58.0628 42.0477 179.3390 25 G 3.5747 8.4058 106.2122 47.6915 0.0000 175.4850 26 K 3.9279 7.9504 121.0653 59.5714 32.2758 178.4536 27 M 4.1954 7.7854 117.4985 58.1572 31.9170 178.3152 28 V 4.0438 7.7048 117.1711 63.3071 31.9153 176.7142 29 G 4.0413 8.9080 106.5684 45.3971 0.0000 172.8463 30 V 4.5053 7.2658 111.2394 58.1586 35.7368 175.7480 31 S 4.4195 8.0807 115.9334 57.8656 65.1398 174.7917 32 N 4.2205 8.4705 120.2045 56.0149 36.9001 177.4507 33 V 3.4570 7.6311 119.9525 65.6689 31.5806 177.6197 34 A 4.0748 7.5949 121.8485 54.4242 17.9960 179.6047 35 I 3.0726 6.8608 118.2546 64.3823 37.1677 178.4791 36 S 4.0393 7.9135 113.8119 61.6310 62.1109 176.2989 37 Q 4.0252 8.2717 121.0208 58.7237 28.4980 178.8276 38 W 4.7358 8.1338 121.6418 59.4406 28.6473 178.5173 39 E 4.3162 8.7309 118.9063 59.1080 28.6777 178.5865 40 R 4.4096 7.8487 115.3363 55.4373 30.3245 176.5292 41 S 3.8650 7.7662 113.4211 59.5765 61.0243 173.1403 42 E 4.1314 8.4258 123.8527 58.7707 29.3830 176.2660 43 T 4.8483 7.6844 106.5986 60.1082 72.2220 171.8281 44 E 4.5851 8.3673 120.3461 53.2702 32.5200 174.6375 45 P 3.9378 0.0000 0.0000 62.4123 31.7676 176.7298 46 N 4.7489 8.4697 118.7005 52.0434 40.0539 175.9512 47 G 3.5946 8.4977 105.9270 48.2841 0.0000 175.2201 48 E 3.9640 8.1313 122.0115 58.8652 29.6870 178.5537 49 N 4.4859 9.0638 116.9399 55.8872 38.4914 177.2712 50 L 3.6796 8.0413 122.2463 57.9816 42.2481 179.0539 51 L 3.9283 7.8159 118.5310 57.7707 41.5991 179.3629 52 A 4.0272 8.0688 120.7406 55.0423 18.3000 179.4652 53 L 4.0295 8.4091 119.6096 58.2687 42.1767 179.3316 54 S 4.1740 8.3434 114.5153 61.3886 62.9013 176.7636 55 K 3.9737 8.1028 121.7260 59.1960 31.6195 179.2270 56 A 4.0787 7.9530 119.9228 54.6750 18.3839 178.7016 57 L 4.3006 7.9374 114.5906 53.8088 42.7640 176.4876 58 Q 3.4860 7.9199 117.2145 56.3618 26.4587 171.8138 59 C 4.6582 8.0858 110.6227 56.0486 33.3690 174.1027 60 S 4.6086 8.3161 114.4246 57.1295 65.1996 173.2852 61 P 4.2732 0.0000 0.0000 65.7754 31.0589 178.8069 62 D 4.3137 8.0706 117.4972 57.2844 40.7692 177.8900 63 Y 4.1185 8.1846 120.0673 60.7185 38.6037 178.2540 64 L 3.7034 7.4614 118.2017 57.6430 41.8092 179.2501 65 L 4.1530 7.8301 117.9460 56.9379 41.6388 178.4797 66 K 4.3791 7.7042 113.9810 55.4898 33.5300 171.9215 67 G 3.4176 8.5049 117.2469 46.0876 0.0000 174.1296 68 D 4.9366 9.4987 122.8649 55.0444 41.0254 173.5498 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 3 T 8.17 4.27 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 4 Q 8.12 4.10 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 5 L 9.23 4.48 0.00 1.70 1.54 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.63 4.12 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 7 G 7.49 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 0.00 0.00 0.00 8 E 8.00 4.06 0.00 2.19 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 2.34 2.35 0.00 9 R 7.80 4.02 0.00 1.87 1.85 0.00 2.21 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 10 I 8.05 3.76 2.11 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 1.44 0.85 1.08 0.00 0.00 11 R 8.40 4.16 0.00 1.93 1.96 0.00 3.17 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 12 A 8.16 4.05 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 13 R 8.06 3.95 0.00 2.02 2.06 0.00 3.37 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 14 R 8.26 4.07 0.00 1.93 2.11 0.00 3.36 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 15 K 8.55 4.03 0.00 1.97 1.86 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.61 7.81 16 K 7.79 4.01 0.00 1.88 2.03 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 17 L 7.69 4.15 0.00 1.89 1.72 0.98 0.70 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 18 K 7.67 3.90 0.00 1.94 1.92 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.36 7.81 19 I 7.55 4.51 1.88 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 1.43 0.65 0.92 0.00 0.00 20 R 8.10 4.25 0.00 1.84 1.88 0.00 3.30 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 21 Q 8.58 3.99 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 22 A 7.98 3.94 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 23 A 7.90 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 24 L 8.09 4.06 0.00 1.82 1.83 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.41 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.93 0.00 1.76 2.00 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 27 M 7.79 4.20 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.56 0.00 28 V 7.70 4.04 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 1.07 0.00 0.00 1.11 0.00 0.00 29 G 8.91 4.04 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 0.00 0.00 0.00 30 V 7.27 4.51 1.90 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 0.93 0.00 0.00 0.64 0.00 0.00 31 S 8.08 4.42 0.00 3.97 3.92 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 0.00 0.00 0.00 32 N 8.47 4.22 0.00 2.87 3.06 0.00 0.00 5.56 7.68 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 33 V 7.63 3.46 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 1.03 0.00 0.00 0.87 0.00 0.00 34 A 7.59 4.07 0.80 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 0.00 0.00 35 I 6.86 3.07 1.87 0.00 0.00 0.72 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 1.02 0.91 0.00 0.00 36 S 7.91 4.04 0.00 4.02 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 37 Q 8.27 4.03 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 38 W 8.13 4.74 0.00 3.52 3.14 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 39 E 8.73 4.32 0.00 2.04 2.04 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 2.42 2.63 0.00 40 R 7.85 4.41 0.00 1.82 1.97 0.00 3.32 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 41 S 7.77 3.87 0.00 4.08 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 42 E 8.43 4.13 0.00 1.97 2.12 0.00 0.00 0.00 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 2.26 0.00 43 T 7.68 4.85 4.40 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 1.28 0.00 0.00 44 E 8.37 4.59 0.00 1.87 1.71 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 2.13 2.23 0.00 45 P 0.00 3.94 0.00 1.55 0.49 0.00 3.31 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 0.00 46 N 8.47 4.75 0.00 3.02 3.06 0.00 0.00 6.03 6.93 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 47 G 8.50 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.96 0.00 2.05 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 2.40 2.42 0.00 49 N 9.06 4.49 0.00 2.81 3.04 0.00 0.00 6.66 6.57 0.00 0.00 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 8.04 3.68 0.00 1.62 1.71 0.74 0.82 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 51 L 7.82 3.93 0.00 1.72 1.69 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.07 4.03 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 53 L 8.41 4.03 0.00 1.87 1.82 1.14 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.34 4.17 0.00 4.31 4.18 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 55 K 8.10 3.97 0.00 2.02 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.60 7.81 56 A 7.95 4.08 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 57 L 7.94 4.30 0.00 1.69 1.77 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.92 3.49 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 59 C 8.09 4.66 0.00 2.99 2.81 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 60 S 8.32 4.61 0.00 4.10 4.05 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 61 P 0.00 4.27 0.00 2.16 2.10 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 62 D 8.07 4.31 0.00 2.74 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 63 Y 8.18 4.12 0.00 3.11 3.19 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 64 L 7.46 3.70 0.00 1.66 1.62 0.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.83 4.15 0.00 1.67 1.66 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.70 4.38 0.00 1.72 1.76 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.41 7.81 67 G 8.50 3.42 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 0.00 68 D 9.50 4.94 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00