NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3359 8.1744 110.9432 61.3115 70.5313 173.2988 6 N 4.7208 7.9309 119.8072 53.4073 39.2512 173.5189 7 S 4.4958 8.7785 113.0792 57.4666 64.8980 173.3019 8 D 4.8073 8.6026 121.7228 55.0731 41.8175 175.4305 9 F 5.2620 7.8441 114.0811 55.5645 41.5193 173.8142 10 V 4.5566 8.8796 112.2590 59.5427 35.4843 174.8051 11 V 4.8102 8.5294 122.9973 61.3783 33.9369 174.5913 12 I 4.9726 8.8975 127.9973 59.4890 40.9818 173.9503 13 K 5.0132 9.4238 129.0055 54.3536 34.4138 175.0186 14 A 4.5242 8.9312 130.1919 52.1260 19.2413 177.5093 15 L 4.6850 9.0808 121.7026 54.6735 42.8292 175.8601 16 E 4.7002 7.7858 115.5158 54.5257 32.7355 174.3626 17 D 4.4971 8.3323 118.8670 55.4595 41.3347 177.2183 18 G 3.9021 8.4258 109.5665 45.1140 0.0000 173.9961 19 V 3.8273 7.5888 120.0182 63.3134 32.8625 174.2995 20 N 5.2389 9.2219 125.3308 51.5964 41.0376 173.7825 21 V 4.5405 8.7036 125.4566 61.4752 33.2876 174.3618 22 I 4.5280 8.7669 130.3028 59.3441 39.5249 175.1382 23 G 4.0883 8.9564 115.6190 45.2750 0.0000 172.5275 24 L 5.3761 8.9739 126.7732 53.4781 43.8268 176.3899 25 T 4.5686 8.7393 114.3856 61.5459 69.3267 174.3433 26 R 4.2518 7.9998 126.8141 56.9141 30.8013 175.0665 27 G 3.7539 8.7695 110.0491 44.1863 0.0000 172.9963 28 A 4.0625 8.6097 121.4692 54.5269 18.6937 177.8308 29 D 4.7299 7.8482 114.3304 53.5728 42.3126 176.2913 30 T 4.5133 8.2654 122.3370 61.3181 69.0165 172.6696 31 R 4.7264 8.9040 123.0160 53.9505 33.8390 174.0150 32 F 5.4400 8.6612 117.7306 57.3938 39.2180 175.8122 33 H 4.9882 9.0713 118.4858 56.3299 30.6385 174.1015 34 H 4.8481 7.6021 117.6490 54.7882 33.4505 171.9462 35 S 4.7939 8.1497 118.7918 56.4238 64.7756 172.4555 36 E 4.4204 8.9604 129.7036 54.7281 30.8626 174.7944 37 K 4.7611 8.5977 127.2793 55.7644 33.2838 176.2376 38 L 4.9499 9.1315 125.4407 53.0802 44.5714 176.0575 39 D 4.9572 9.4644 123.1257 52.7084 43.0155 176.0015 40 K 3.9124 8.8330 122.2303 58.5041 32.3857 176.9674 41 G 4.0499 9.0890 115.5008 45.2356 0.0000 173.6614 42 E 4.2234 8.1661 119.5615 56.3504 30.7386 176.1424 43 V 4.8769 8.3013 122.1127 60.9920 34.3804 174.1979 44 L 4.7472 9.0161 129.5914 53.2457 44.8762 174.8278 45 I 4.9352 8.4910 126.4343 59.6131 39.2158 174.7150 46 A 4.7044 8.9558 129.2861 50.0509 21.8633 175.3445 47 Q 4.7680 8.6639 121.1188 55.2577 30.1408 175.9797 48 F 4.5941 8.4021 120.7709 58.0109 39.2301 175.0206 49 T 4.7001 8.9191 111.1401 60.1228 71.9673 173.9742 50 E 4.1543 8.9254 121.3037 59.4826 29.5968 177.3664 51 H 4.5353 7.8144 115.1047 56.5932 29.7417 174.4476 52 T 5.5596 8.2103 116.0067 60.8023 71.1964 174.4338 53 S 4.9996 8.9458 119.6436 57.9527 64.9020 173.1959 54 A 5.0367 7.8763 121.0781 51.2789 22.5291 175.3197 55 I 5.0008 8.5282 120.7221 59.3792 40.7841 174.6523 56 K 4.5574 9.0376 128.5625 54.5440 34.5512 174.7009 57 V 4.7930 8.3943 126.8224 61.2140 33.4972 174.5558 58 R 4.5263 9.3466 127.5047 55.5716 32.8492 176.4255 59 G 4.0303 9.0175 109.0430 44.1062 0.0000 172.2537 60 K 4.5448 9.4306 120.4678 56.0461 32.9232 175.6094 61 A 5.0757 8.7402 127.7520 50.9804 23.4775 173.6600 62 Y 4.9316 9.0996 121.3366 56.0983 41.2822 174.6478 63 I 4.9148 8.0370 126.4017 59.5770 41.1234 174.1265 64 Q 5.0277 8.8427 126.3175 54.2916 31.5810 174.9965 65 T 4.8914 8.5639 112.9919 59.5181 72.4931 174.5984 66 R 3.7518 8.5577 120.6690 59.4314 29.8573 176.4542 67 H 4.7217 8.1285 112.7400 55.0979 29.4054 173.7168 68 G 3.7833 6.9480 106.1213 43.9798 0.0000 173.3015 69 V 4.7780 7.8066 111.9804 59.9557 34.9952 175.0387 70 I 4.3621 7.9474 120.3322 60.3063 41.9139 172.7050 71 E 5.2477 8.7008 126.3505 54.5274 32.0333 176.1148 72 S 4.6251 8.9147 119.1081 57.9812 65.1122 172.8666 73 E 4.8825 8.6873 119.3394 54.4928 33.1732 176.3030 74 G 3.7196 8.6136 110.2010 45.7531 0.0000 173.1276 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 5 T 8.17 4.34 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 1.22 0.00 0.00 6 N 7.93 4.72 0.00 2.81 2.86 0.00 0.00 7.13 6.75 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 7 S 8.78 4.50 0.00 4.12 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 8 D 8.60 4.81 0.00 2.76 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 9 F 7.84 5.26 0.00 2.94 2.95 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 10 V 8.88 4.56 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 0.55 0.00 0.00 0.81 0.00 0.00 11 V 8.53 4.81 2.13 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 1.12 0.00 0.00 1.17 0.00 0.00 12 I 8.90 4.97 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.91 0.00 0.00 13 K 9.42 5.01 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.93 4.52 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 15 L 9.08 4.68 0.00 1.62 1.71 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.79 4.70 0.00 2.01 1.89 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 2.18 2.33 0.00 17 D 8.33 4.50 0.00 2.69 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 18 G 8.43 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 19 V 7.59 3.83 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 1.03 0.00 0.00 20 N 9.22 5.24 0.00 2.62 2.61 0.00 0.00 6.26 7.55 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 21 V 8.70 4.54 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 0.99 0.00 0.00 0.90 0.00 0.00 22 I 8.77 4.53 1.51 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.41 -0.40 0.00 0.00 23 G 8.96 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 L 8.97 5.38 0.00 1.89 1.72 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.74 4.57 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 1.39 0.00 0.00 26 R 8.00 4.25 0.00 1.88 1.97 0.00 3.23 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.77 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 28 A 8.61 4.06 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 29 D 7.85 4.73 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.51 4.26 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 1.28 0.00 0.00 31 R 8.90 4.73 0.00 1.78 2.00 0.00 2.78 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 32 F 8.66 5.44 0.00 2.91 2.89 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 33 H 9.07 4.99 0.00 3.16 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.60 4.85 0.00 3.23 3.02 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.15 4.79 0.00 3.68 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 4.42 0.00 2.15 1.78 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 2.24 2.31 0.00 37 K 8.60 4.76 0.00 1.64 1.72 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.49 7.81 38 L 9.13 4.95 0.00 1.51 1.53 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.46 4.96 0.00 2.54 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 40 K 8.83 3.91 0.00 1.68 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.09 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 0.00 0.00 0.00 42 E 8.17 4.22 0.00 2.06 1.88 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 2.33 2.26 0.00 43 V 8.30 4.88 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.02 4.75 0.00 1.74 1.45 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 4.94 1.76 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 1.28 0.77 0.68 0.00 0.00 46 A 8.96 4.70 1.12 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 0.00 0.00 47 Q 8.66 4.77 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.40 4.59 0.00 3.04 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 49 T 8.92 4.70 4.30 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 1.31 0.00 0.00 50 E 8.93 4.15 0.00 1.92 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 2.03 2.26 0.00 51 H 7.81 4.54 0.00 3.43 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.21 5.56 4.37 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 1.36 0.00 0.00 53 S 8.95 5.00 0.00 3.82 4.07 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 54 A 7.88 5.04 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 55 I 8.53 5.00 1.87 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.84 0.00 0.00 56 K 9.04 4.56 0.00 1.79 1.51 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 57 V 8.39 4.79 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.35 4.53 0.00 1.70 1.78 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 59 G 9.02 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.43 4.54 0.00 1.82 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.74 5.08 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 62 Y 9.10 4.93 0.00 3.02 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 63 I 8.04 4.91 1.86 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 1.17 0.81 0.82 0.00 0.00 64 Q 8.84 5.03 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 65 T 8.56 4.89 4.12 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 1.15 0.00 0.00 66 R 8.56 3.75 0.00 1.70 1.73 0.00 3.12 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 67 H 8.13 4.72 0.00 3.16 3.26 0.00 5.69 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 68 G 6.95 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 69 V 7.81 4.78 1.80 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 0.70 0.00 0.00 0.98 0.00 0.00 70 I 7.95 4.36 1.82 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 1.21 1.31 0.85 0.00 0.00 71 E 8.70 5.25 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 2.52 2.47 0.00 72 S 8.91 4.63 0.00 3.90 3.98 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 0.00 0.00 0.00 73 E 8.69 4.88 0.00 1.83 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 2.21 2.29 0.00 74 G 8.61 3.72 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 0.00 0.00 0.00