NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5559 8.1833 119.4240 57.2617 40.9012 176.8201 2 L 3.8685 8.9550 125.5718 58.1066 42.2954 176.9962 3 D 4.4658 8.3372 118.6907 57.3117 41.1876 178.5917 4 G 3.4849 7.9915 105.7398 47.7864 0.0000 175.6726 5 I 3.5803 7.6031 121.8665 63.9413 36.8511 177.9490 6 D 4.3775 7.8067 117.9966 57.4207 41.1595 178.2846 7 K 4.1124 7.5571 117.0560 59.3517 32.1203 179.0118 8 A 3.9046 7.6010 120.3210 53.7940 18.5736 178.1987 9 Q 4.0939 8.2569 119.5816 56.4740 30.2157 175.3293 10 E 4.3975 8.2348 125.7368 56.0998 32.2253 174.0942 11 E 4.3059 8.5930 117.3914 56.0666 30.5918 177.0732 12 H 4.1360 8.4029 121.5076 55.9184 28.2747 175.2276 13 E 4.7686 7.5053 125.4196 55.0257 31.8644 177.0883 14 K 4.0961 8.6115 117.9277 60.5208 31.8810 178.5932 15 Y 3.9803 7.9827 116.1232 61.3742 37.8964 177.7987 16 H 4.4211 7.8939 115.0671 58.7561 28.8551 177.6265 17 S 4.5418 8.0280 114.5445 60.6131 63.9223 175.2820 18 N 4.5979 7.8544 125.1709 50.9306 37.8065 175.5747 19 W 4.4419 8.2704 124.1312 59.1952 28.5957 178.4067 20 R 3.0831 6.5129 118.4675 58.6530 29.2833 178.4869 21 A 3.9535 7.3616 119.3484 55.3980 18.4247 179.3121 22 M 4.1683 8.2488 115.9730 58.8625 32.3258 178.0737 23 A 4.1972 8.2501 120.9487 55.3399 18.7020 179.6191 24 S 4.0456 8.2507 111.7146 61.4486 62.2498 175.7820 25 D 4.2248 8.3902 120.3247 56.7547 41.0505 177.3465 26 F 4.4807 8.1468 114.7636 56.0371 39.9504 175.1757 27 N 4.2566 7.8229 114.8228 54.6144 36.5687 173.9476 28 L 4.8433 7.9352 115.9858 51.8450 44.9136 175.4622 29 P 4.4944 0.0000 0.0000 61.9520 32.1482 175.7780 30 P 4.3090 0.0000 0.0000 65.5003 31.1940 178.8860 31 V 3.4447 7.8176 117.5368 66.0267 31.3300 178.1711 32 V 3.5483 7.6858 117.1807 65.8159 31.4091 177.6106 33 A 4.0293 7.9230 120.0700 55.1879 18.2966 179.5494 34 K 3.5334 8.2361 117.3100 59.3841 31.9454 179.1078 35 E 3.8627 7.9131 119.1074 59.3545 29.4261 178.9720 36 I 3.6537 7.4972 119.9083 64.3236 36.9044 178.5771 37 V 3.5592 7.3837 117.6336 65.8974 31.4073 177.6611 38 A 4.1108 7.8323 119.7596 55.2292 18.2690 179.5396 39 S 4.3828 8.1024 113.1121 60.5170 63.2491 174.4720 40 C 4.3315 8.1870 123.8530 58.7919 31.6015 173.5756 41 D 4.3983 8.8678 128.3809 57.4799 40.2101 178.8394 42 K 3.9653 7.9393 117.5172 59.7408 32.1625 178.6894 43 C 4.4214 8.0042 115.3612 63.0143 28.2860 174.5725 44 Q 4.1024 8.1170 121.6943 57.3484 28.9401 175.5016 45 L 4.1386 7.6576 121.4349 54.6431 42.1137 176.4936 46 K 4.0999 7.9926 123.3749 57.6213 32.8122 180.5816 47 G 3.9964 7.6221 114.1834 44.5199 0.0000 172.5666 48 E 4.2325 8.4417 116.1103 55.4191 31.3760 176.3327 49 A 4.1013 8.6514 124.9200 54.1274 17.9592 178.9021 50 M 4.3981 8.6330 113.7989 53.6617 33.1566 177.7676 51 H 4.8434 8.1973 114.0443 55.4349 30.8576 177.1658 52 G 3.7581 8.7492 111.4025 45.8734 0.0000 176.0457 53 Q 4.4650 8.7256 113.3130 54.4099 32.0983 174.4281 54 V 4.1310 8.1711 118.8076 61.5095 32.5727 175.3280 55 D 4.4867 8.6583 125.6064 54.5206 41.1047 175.6207 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 F 8.18 4.56 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 2 L 8.95 3.87 0.00 1.80 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.34 4.47 0.00 2.69 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 4 G 7.99 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.60 3.58 2.01 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 1.35 0.93 0.87 0.00 0.00 6 D 7.81 4.38 0.00 2.67 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 7 K 7.56 4.11 0.00 1.63 1.92 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 8 A 7.60 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.26 4.09 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 10 E 8.23 4.40 0.00 1.93 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 0.00 2.20 2.39 0.00 11 E 8.59 4.31 0.00 2.00 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 2.32 2.30 0.00 12 H 8.40 4.14 0.00 3.09 3.26 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.51 4.77 0.00 2.20 1.93 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 0.00 2.35 2.48 0.00 14 K 8.61 4.10 0.00 1.60 1.68 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 15 Y 7.98 3.98 0.00 3.07 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 16 H 7.89 4.42 0.00 3.20 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.03 4.54 0.00 4.03 4.01 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 18 N 7.85 4.60 0.00 2.68 2.65 0.00 0.00 6.70 7.24 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 19 W 8.27 4.44 0.00 3.64 3.39 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 20 R 6.51 3.08 0.00 1.24 1.49 0.00 2.71 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.36 3.95 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 22 M 8.25 4.17 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.83 0.00 23 A 8.25 4.20 1.69 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 24 S 8.25 4.05 0.00 3.91 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 25 D 8.39 4.22 0.00 2.67 2.67 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 26 F 8.15 4.48 0.00 3.13 3.06 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 0.00 0.00 0.00 0.00 27 N 7.82 4.26 0.00 2.91 2.89 0.00 0.00 6.76 7.30 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 28 L 7.94 4.84 0.00 1.65 1.53 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.49 0.00 2.23 2.19 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 30 P 0.00 4.31 0.00 2.11 1.99 0.00 3.69 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 2.30 2.62 0.00 31 V 7.82 3.44 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 0.96 0.00 0.00 0.92 0.00 0.00 32 V 7.69 3.55 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 0.86 0.00 0.00 0.80 0.00 0.00 33 A 7.92 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.53 0.00 1.57 1.61 0.00 1.38 0.00 0.00 1.29 0.00 0.00 2.45 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.67 0.75 7.81 35 E 7.91 3.86 0.00 1.97 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 0.00 2.28 2.49 0.00 36 I 7.50 3.65 2.01 0.00 0.00 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 1.36 0.64 0.84 0.00 0.00 37 V 7.38 3.56 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 0.76 0.00 0.00 1.01 0.00 0.00 38 A 7.83 4.11 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 39 S 8.10 4.38 0.00 3.96 3.93 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 0.00 0.00 0.00 0.00 40 C 8.19 4.33 0.00 2.99 2.88 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 41 D 8.87 4.40 0.00 2.73 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 42 K 7.94 3.97 0.00 1.56 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.36 7.81 43 C 8.00 4.42 0.00 3.16 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 44 Q 8.12 4.10 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 45 L 7.66 4.14 0.00 1.71 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.99 4.10 0.00 1.76 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 47 G 7.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.23 0.00 2.17 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 0.00 2.37 2.32 0.00 49 A 8.65 4.10 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 50 M 8.63 4.40 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 51 H 8.20 4.84 0.00 3.32 3.45 0.00 5.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.75 3.76 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 0.00 0.00 0.00 53 Q 8.73 4.46 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 54 V 8.17 4.13 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 0.77 0.00 0.00 0.98 0.00 0.00 55 D 8.66 4.49 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00