NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3496 8.2493 123.5802 52.2259 19.9480 175.9171 2 T 4.9902 8.4427 109.5554 56.9559 71.7177 172.4147 3 T 4.5671 8.9463 114.9767 60.3048 73.3984 176.7146 4 D 4.3421 8.4642 121.1951 57.5637 40.9464 178.9748 5 A 4.0548 7.9382 120.8173 54.7930 18.5044 179.2023 6 E 3.9858 7.7700 117.8309 59.6501 29.8483 178.4815 7 C 4.2986 8.0002 116.1379 60.0688 40.1166 176.1277 8 L 3.8450 7.7755 118.8899 57.4063 41.1900 179.2014 9 S 4.3565 7.5330 112.9203 59.6250 63.2832 175.0571 10 K 4.2573 7.2557 120.5142 55.4915 32.4208 175.1232 11 P 4.5753 0.0000 0.0000 62.4402 32.2980 175.4316 12 A 4.8136 8.4793 121.8239 51.4660 19.6375 176.6387 13 F 5.0552 8.4245 116.1022 55.0987 41.9674 174.0819 14 D 5.1960 8.5054 119.0733 53.8185 42.2672 175.6456 15 G 4.2487 8.3776 111.4933 46.7012 0.0000 170.3799 16 T 5.6036 8.9022 116.2788 61.9638 71.1188 174.3280 17 L 4.6135 8.6107 124.0032 53.1094 45.7603 176.3986 18 S 4.9785 8.5872 118.4166 56.6099 65.5305 172.9900 19 N 4.2379 8.4544 114.8703 54.5734 35.5464 175.2403 20 V 4.3070 8.2713 118.1937 62.4241 32.6757 175.5374 21 W 5.1456 9.0595 125.0346 54.6869 31.1374 175.0216 22 K 4.7683 8.8726 120.7338 56.0690 33.0130 177.4800 23 E 4.7561 8.8656 121.2921 56.1260 31.9553 174.9827 24 G 3.6951 8.5227 112.6538 46.8801 0.0000 171.3482 25 D 4.4901 8.1876 113.7813 55.1220 39.4176 173.9495 26 S 4.4382 7.5217 114.9095 56.5908 65.8781 173.0593 27 R 4.8070 7.6770 123.4949 54.9394 32.0177 174.9526 28 Y 5.2612 8.3730 119.6922 56.2220 42.3137 174.2766 29 A 4.6781 8.4963 122.4064 50.3109 23.3028 174.3052 30 N 5.4232 8.9989 118.7458 52.2063 40.8361 174.4731 31 F 4.7207 9.4461 128.3276 57.8679 42.3810 173.9928 32 E 3.5447 9.1420 129.2268 57.7951 26.8120 174.5536 33 N 4.3267 8.1830 109.7052 54.1955 36.7876 174.4091 34 C 5.2515 8.0008 115.1651 55.1797 43.9212 173.1189 35 I 4.8756 8.7645 124.7714 60.7306 38.4217 174.5247 36 Y 5.1726 9.2084 125.3400 56.4383 40.9041 174.1984 37 E 4.7984 9.3182 123.6715 54.1771 32.0607 174.6849 38 L 3.5502 7.7310 130.0280 54.6115 42.8160 175.8560 39 S 4.1516 8.4516 120.1694 57.9485 67.0198 173.8976 40 G 3.8994 8.3397 106.6831 45.4042 0.0000 172.7636 41 I 3.9382 8.3386 123.0763 61.0885 37.6246 175.8179 42 G 4.3145 8.6951 114.9142 44.6509 0.0000 172.5389 43 I 4.5872 9.1914 125.3487 59.4992 40.2629 174.6751 44 G 2.8217 7.8633 114.3274 44.1195 0.0000 171.2958 45 Y 4.7109 7.8687 119.5931 55.6876 42.2455 173.8978 46 D 4.5086 9.3513 115.0910 56.1921 38.7215 173.1468 47 N 4.1266 8.9868 112.0461 55.1165 36.7988 173.0183 48 D 4.6501 7.8856 113.3611 55.1422 40.8695 173.5911 49 T 4.6287 7.5614 107.4115 62.4592 69.9436 174.0660 50 S 4.9946 7.9946 118.9124 56.5829 66.2669 172.9300 51 W 5.0561 8.9895 124.4869 54.6830 32.5190 174.1421 52 N 5.5538 9.4300 123.2184 51.3705 40.6261 173.3689 53 G 4.0995 8.2757 115.0765 46.7494 0.0000 171.2600 54 H 4.8878 8.0553 124.1802 54.5839 31.5702 174.6485 55 W 4.9695 8.3000 126.2869 55.2086 31.3736 174.8937 56 T 5.0220 8.5619 122.2934 60.7589 70.7302 172.1443 57 P 4.3700 0.0000 0.0000 63.1337 31.5349 176.1234 58 V 4.4259 8.6558 116.5884 62.6541 34.2227 175.3471 59 R 4.6354 7.5872 114.1610 55.4057 32.8057 173.6983 60 A 4.9407 8.9614 120.9204 50.2833 20.8832 177.1539 61 A 4.2273 8.5514 122.7170 51.6652 19.0306 177.8698 62 D 4.4260 8.6567 121.4256 53.6150 39.7015 176.2524 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 A 8.25 4.35 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 2 T 8.44 4.99 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 1.29 0.00 0.00 3 T 8.95 4.57 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 1.21 0.00 0.00 4 D 8.46 4.34 0.00 2.70 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 5 A 7.94 4.05 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 6 E 7.77 3.99 0.00 2.01 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 2.31 2.36 0.00 7 C 8.00 4.30 0.00 3.11 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 8 L 7.78 3.84 0.00 1.63 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.53 4.36 0.00 4.07 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 10 K 7.26 4.26 0.00 2.05 1.95 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.61 7.81 11 P 0.00 4.58 0.00 2.30 2.14 0.00 3.91 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 2.13 2.05 0.00 12 A 8.48 4.81 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 13 F 8.42 5.06 0.00 3.07 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 14 D 8.51 5.20 0.00 2.64 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 15 G 8.38 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 0.00 0.00 0.00 0.00 16 T 8.90 5.60 4.35 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 1.36 0.00 0.00 17 L 8.61 4.61 0.00 0.43 0.90 -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.59 4.98 0.00 3.75 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 19 N 8.45 4.24 0.00 2.99 3.04 0.00 0.00 6.84 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 20 V 8.27 4.31 2.47 0.00 0.00 0.00 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 1.24 0.00 0.00 21 W 9.06 5.15 0.00 3.43 3.33 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 22 K 8.87 4.77 0.00 1.78 1.85 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.53 7.81 23 E 8.87 4.76 0.00 2.29 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 0.00 2.38 2.58 0.00 24 G 8.52 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 0.00 0.00 0.00 25 D 8.19 4.49 0.00 2.80 2.70 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 26 S 7.52 4.44 0.00 4.17 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 27 R 7.68 4.81 0.00 1.09 1.43 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.00 28 Y 8.37 5.26 0.00 1.43 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 0.00 0.00 0.00 29 A 8.50 4.68 0.70 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 0.00 0.00 30 N 9.00 5.42 0.00 3.17 2.95 0.00 0.00 6.72 7.02 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 31 F 9.45 4.72 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 3.54 0.00 1.74 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 1.75 1.47 0.00 33 N 8.18 4.33 0.00 2.90 2.89 0.00 0.00 6.75 7.66 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 34 C 8.00 5.25 0.00 3.08 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 35 I 8.76 4.88 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.05 1.11 0.00 0.00 36 Y 9.21 5.17 0.00 2.88 3.13 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 37 E 9.32 4.80 0.00 2.06 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 0.00 1.89 1.53 0.00 38 L 7.73 3.55 0.00 0.27 0.81 -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.45 4.15 0.00 3.69 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 40 G 8.34 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 0.00 0.00 0.00 41 I 8.34 3.94 1.86 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 1.26 0.54 0.92 0.00 0.00 42 G 8.70 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 43 I 9.19 4.59 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 1.18 0.85 0.89 0.00 0.00 44 G 7.86 2.82 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 45 Y 7.87 4.71 0.00 2.88 2.86 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 46 D 9.35 4.51 0.00 2.73 2.76 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 0.00 0.00 0.00 47 N 8.99 4.13 0.00 2.82 2.83 0.00 0.00 7.19 8.47 0.00 0.00 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 D 7.89 4.65 0.00 2.99 2.91 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 0.00 0.00 0.00 49 T 7.56 4.63 4.33 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 1.38 0.00 0.00 50 S 7.99 4.99 0.00 2.87 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 51 W 8.99 5.06 0.00 3.58 3.12 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 0.00 0.00 0.00 52 N 9.43 5.55 0.00 3.00 2.94 0.00 0.00 6.73 8.76 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 53 G 8.28 4.10 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 0.00 54 H 8.06 4.89 0.00 3.07 3.02 0.00 5.55 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.30 4.97 0.00 1.80 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 56 T 8.56 5.02 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 1.25 0.00 0.00 57 P 0.00 4.37 0.00 1.99 1.35 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 58 V 8.66 4.43 2.14 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 0.90 0.00 0.00 1.16 0.00 0.00 59 R 7.59 4.64 0.00 2.02 2.01 0.00 2.95 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 60 A 8.96 4.94 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 61 A 8.55 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.66 4.43 0.00 2.76 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