NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3095 8.4449 118.7962 55.9164 31.9789 176.6511 4 R 3.9785 7.8829 119.1783 54.4751 31.9934 174.7905 5 P 4.1927 0.0000 0.0000 66.2949 31.7577 178.7895 6 L 3.9687 7.8700 116.5286 57.4023 41.4782 179.2997 7 D 4.3031 7.8511 118.7786 57.3243 40.6896 178.5793 8 V 3.5439 7.4536 117.2045 66.0695 31.8058 177.7337 9 I 3.6536 7.5959 119.4238 64.5672 37.0109 177.8139 10 H 4.0610 8.2543 119.3495 59.4089 29.5035 177.3947 11 R 4.0670 7.9997 118.1045 58.3635 30.1761 178.0975 12 S 4.4436 7.7582 114.1039 57.5495 63.2673 173.9664 13 L 4.2804 7.0533 122.1857 56.4147 41.8333 176.4785 14 D 4.4521 9.6007 121.0380 54.7441 40.5553 173.0522 15 K 4.7841 7.7730 115.9400 53.8963 36.1909 175.0045 16 D 4.9337 8.5795 122.1746 54.8166 42.4336 175.4481 17 V 4.9843 9.1125 118.1131 59.6129 36.9697 173.8033 18 L 5.0469 9.0650 124.5348 53.4110 44.5330 175.1562 19 V 4.7429 9.1620 127.0955 61.3993 33.5382 174.2250 20 I 4.5664 8.7636 130.4248 60.4806 38.4033 175.5467 21 L 5.1452 8.4408 127.0757 52.6964 44.4303 177.1347 22 K 4.3145 8.0414 119.8224 57.4529 31.5823 176.5318 23 K 4.8806 9.0061 135.0000 56.7638 34.0552 176.2318 24 G 3.9562 8.1069 107.2826 44.7617 0.0000 172.6356 25 F 4.9036 7.8561 118.3389 56.4519 41.5982 174.3818 26 E 5.1099 8.7896 117.9025 55.8304 33.4920 173.6791 27 F 5.4547 9.3703 118.6420 55.8426 43.0414 174.7749 28 R 5.0710 8.8460 120.3236 54.6947 34.1458 175.1054 29 G 4.1403 8.3309 108.9683 46.2621 0.0000 171.2544 30 R 4.8633 8.0300 120.8122 54.9537 31.4745 175.6703 31 L 4.6844 8.9075 130.0700 55.2020 42.7244 176.7569 32 I 4.5271 8.3657 119.1954 60.1516 38.8590 175.1413 33 G 4.1438 7.6223 109.4142 46.6538 0.0000 171.4321 34 Y 5.3762 7.7249 117.4154 56.8810 40.4803 171.9358 35 D 4.7467 8.5203 118.3813 51.1790 42.7243 176.2706 36 I 3.6863 8.2884 111.8533 64.0352 37.2617 176.4530 37 H 4.5428 8.1433 116.2664 55.5929 28.6834 175.3737 38 L 3.8250 8.1768 118.6054 55.5459 39.5668 174.1167 39 N 4.8834 8.2085 116.0498 53.4358 39.8482 174.6231 40 V 5.0144 8.8149 115.0060 59.6274 36.7731 174.4277 41 V 4.8206 8.6939 122.0854 61.1767 34.1830 174.3767 42 L 5.3499 8.9076 126.8617 52.8956 45.4206 175.2995 43 A 5.0022 8.8749 123.6354 50.2428 22.2622 175.7189 44 D 4.4709 8.5798 117.9233 55.3886 39.1380 173.4823 45 A 5.1053 8.3259 120.8574 50.9137 22.3340 177.5349 46 E 5.1877 9.1256 118.0277 54.8763 34.0380 174.5351 47 M 4.5756 9.3931 124.5612 54.2677 34.1690 174.5119 48 I 4.8828 8.8684 127.2762 59.5376 40.2767 174.4864 49 Q 3.8088 8.6978 127.6338 53.9644 31.4929 174.8948 50 D 4.1037 8.5737 129.1314 55.5803 38.4604 175.4705 51 G 3.8811 8.2881 104.6011 45.4950 0.0000 173.1239 52 E 4.5597 7.4998 120.6739 53.6345 32.1161 175.1095 53 V 4.1611 8.3643 125.6218 63.2231 31.8234 175.7463 54 V 4.3578 8.4056 120.1103 61.2238 33.1723 175.5177 55 K 4.3092 7.4064 119.5636 55.6612 35.2931 173.7590 56 R 5.1128 8.1151 122.3598 54.6907 33.9874 174.4435 57 Y 4.7621 9.2740 118.7316 56.4419 42.2953 176.7070 58 G 3.6934 9.0496 110.5355 49.0366 0.0000 173.4370 59 K 5.1982 7.8378 119.7952 54.8593 35.4605 175.2243 60 I 4.4822 9.0851 126.8180 59.3915 41.9077 173.4295 61 V 4.6227 8.2621 128.9109 61.2000 32.9242 174.4935 62 I 4.3647 8.4727 122.3331 58.9151 40.2562 175.2907 63 R 4.5323 8.5100 125.6000 55.4972 30.8127 177.9067 64 G 3.7284 9.4632 112.7192 48.3449 0.0000 175.0785 65 D 4.2714 8.1400 118.4107 56.7588 39.8829 176.3381 66 N 4.6933 8.0241 114.4448 53.1037 39.2130 174.6246 67 V 4.2570 7.6664 119.8300 62.2995 32.4208 175.2316 68 L 4.3785 9.0457 129.9481 57.4831 42.7020 176.0762 69 A 4.6356 7.5033 117.4130 51.2845 22.7245 174.9005 70 I 5.0123 8.2400 118.9885 59.6487 41.0931 175.1667 71 S 4.7469 9.2698 121.4215 55.5611 65.2943 171.2030 72 P 4.7654 0.0000 0.0000 62.9240 32.0809 176.3842 73 T 4.2434 8.6769 113.3367 61.8909 68.6275 174.5323 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 E 8.44 4.31 0.00 2.09 2.15 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 2.17 2.34 0.00 4 R 7.88 3.98 0.00 1.98 1.88 0.00 3.16 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 5 P 0.00 4.19 0.00 2.13 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 6 L 7.87 3.97 0.00 1.69 1.74 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.85 4.30 0.00 2.91 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 8 V 7.45 3.54 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 0.79 0.00 0.00 0.94 0.00 0.00 9 I 7.60 3.65 1.51 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.45 0.21 0.00 0.00 10 H 8.25 4.06 0.00 3.36 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.00 4.07 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 12 S 7.76 4.44 0.00 3.94 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 13 L 7.05 4.28 0.00 1.64 1.63 0.96 0.93 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 14 D 9.60 4.45 0.00 2.73 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 15 K 7.77 4.78 0.00 1.84 1.64 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.64 7.81 16 D 8.58 4.93 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.11 4.98 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 0.76 0.00 0.00 0.98 0.00 0.00 18 L 9.06 5.05 0.00 1.72 1.65 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.16 4.74 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 1.09 0.00 0.00 0.97 0.00 0.00 20 I 8.76 4.57 1.91 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 1.26 0.44 0.94 0.00 0.00 21 L 8.44 5.15 0.00 1.80 1.64 1.10 1.15 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 22 K 8.04 4.31 0.00 1.80 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.44 7.81 23 K 9.01 4.88 0.00 1.94 2.48 0.00 2.11 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.05 7.81 24 G 8.11 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 0.00 0.00 0.00 25 F 7.86 4.90 0.00 2.97 2.85 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 26 E 8.79 5.11 0.00 2.12 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 2.17 2.26 0.00 27 F 9.37 5.45 0.00 3.05 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 28 R 8.85 5.07 0.00 1.80 1.82 0.00 3.20 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 29 G 8.33 4.14 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 0.00 30 R 8.03 4.86 0.00 1.94 1.94 0.00 3.30 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 31 L 8.91 4.68 0.00 1.82 1.73 1.05 0.59 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 32 I 8.37 4.53 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.96 0.00 0.00 33 G 7.62 4.14 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 0.00 34 Y 7.72 5.38 0.00 3.01 2.92 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 35 D 8.52 4.75 0.00 2.83 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 36 I 8.29 3.69 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.16 0.90 0.00 0.00 37 H 8.14 4.54 0.00 3.32 3.37 0.00 5.74 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 38 L 8.18 3.83 0.00 1.82 1.84 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.21 4.88 0.00 2.94 2.73 0.00 0.00 6.77 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 40 V 8.81 5.01 2.10 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 0.80 0.00 0.00 0.90 0.00 0.00 41 V 8.69 4.82 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 0.95 0.00 0.00 0.90 0.00 0.00 42 L 8.91 5.35 0.00 1.53 1.50 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.87 5.00 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 44 D 8.58 4.47 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 5.11 1.40 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 0.00 0.00 46 E 9.13 5.19 0.00 1.98 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 2.25 2.28 0.00 47 M 9.39 4.58 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.50 0.00 48 I 8.87 4.88 1.82 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 1.10 0.48 0.83 0.00 0.00 49 Q 8.70 3.81 0.00 1.53 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.30 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 50 D 8.57 4.10 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.29 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 0.00 0.00 0.00 52 E 7.50 4.56 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 53 V 8.36 4.16 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 0.87 0.00 0.00 0.93 0.00 0.00 54 V 8.41 4.36 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 1.03 0.00 0.00 55 K 7.41 4.31 0.00 1.74 1.47 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.58 1.17 7.81 56 R 8.12 5.11 0.00 1.57 1.72 0.00 3.19 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 57 Y 9.27 4.76 0.00 2.89 2.79 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 58 G 9.05 3.69 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 0.00 0.00 0.00 59 K 7.84 5.20 0.00 1.74 1.64 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.43 7.81 60 I 9.09 4.48 1.54 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.08 0.69 0.00 0.00 61 V 8.26 4.62 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 0.82 0.00 0.00 0.87 0.00 0.00 62 I 8.47 4.36 1.68 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 1.18 0.45 0.26 0.00 0.00 63 R 8.51 4.53 0.00 1.88 1.88 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 64 G 9.46 3.73 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 0.00 0.00 0.00 65 D 8.14 4.27 0.00 2.62 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 66 N 8.02 4.69 0.00 2.84 2.84 0.00 0.00 6.47 7.35 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 67 V 7.67 4.26 2.23 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 0.79 0.00 0.00 1.02 0.00 0.00 68 L 9.05 4.38 0.00 1.66 1.88 0.94 1.04 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 69 A 7.50 4.64 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 70 I 8.24 5.01 1.85 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 1.24 0.72 0.95 0.00 0.00 71 S 9.27 4.75 0.00 3.81 3.67 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 0.00 0.00 0.00 72 P 0.00 4.77 0.00 2.10 2.02 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 73 T 8.68 4.24 4.25 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 1.33 0.00 0.00