NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9240 8.3549 109.7347 45.1135 0.0000 173.2664 2 S 4.1093 8.3384 114.8065 57.4879 63.3968 173.2757 3 S 4.0579 8.8492 117.9287 62.2890 63.1752 173.7830 4 G 4.2784 7.5505 103.2446 42.8849 0.0000 172.4119 5 S 4.5363 7.8701 116.2505 56.2228 64.6330 173.9994 6 S 4.0048 8.4910 115.5437 58.7018 62.9971 175.0571 7 G 4.0323 7.7357 112.6907 43.5782 0.0000 172.1150 8 W 4.7594 7.9899 126.4648 57.2729 29.8377 176.3316 9 T 5.3280 7.5340 105.4155 59.7022 71.6087 173.1569 10 C 5.1580 8.5808 118.3781 55.1370 41.6588 172.9881 11 N 5.1403 8.2059 118.6923 51.2694 41.3284 174.9816 12 K 3.6964 8.3848 125.8699 59.8324 32.3736 177.9617 13 F 4.2702 8.3341 115.1152 60.7530 38.8790 176.5925 14 R 4.0849 8.4688 119.1325 59.4707 30.0113 177.7331 15 C 4.3224 7.8137 114.2751 58.8012 40.4803 173.9369 16 G 3.7605 8.5631 113.3458 46.7712 0.0000 173.1329 17 E 4.7602 7.6620 114.9495 54.5289 31.7478 175.2003 18 K 4.6670 8.2304 117.0469 55.7358 33.4209 177.3973 19 R 4.4644 9.0594 119.7177 55.0590 32.8135 175.0184 20 L 4.7188 8.2707 122.9148 54.4298 43.3896 175.5153 21 T 4.4094 8.6824 115.0085 62.9229 69.6668 173.9283 22 R 4.5614 7.6006 119.0537 53.5059 30.4752 173.2227 23 S 4.4458 7.7750 114.3620 56.8234 67.3456 174.3491 24 L 3.7079 8.4565 126.2533 57.1834 41.2208 176.0708 25 C 4.9518 7.6248 109.8440 53.3871 42.6696 172.1906 26 A 4.8451 8.4153 121.6069 50.8022 20.7610 176.3580 27 C 5.6681 8.7030 121.8099 57.3219 35.5920 173.2909 28 S 5.1966 7.7442 112.3345 56.1009 65.5817 173.8397 29 D 4.4541 8.9665 124.3702 57.8782 41.1110 178.4847 30 D 4.3553 8.4852 117.8334 57.8293 40.9712 177.2234 31 C 4.0042 7.9448 113.8988 58.8075 41.0141 176.2718 32 K 3.7503 8.0604 119.8749 59.3038 31.7680 178.8130 33 D 4.4582 7.8413 116.8267 57.6922 41.0146 178.3205 34 Q 4.1286 8.2367 117.5416 58.7529 29.2777 177.9190 35 G 3.9707 7.7018 108.7088 46.3877 0.0000 173.1946 36 D 4.9866 7.8833 114.6889 53.7175 42.3156 177.0314 37 C 4.7901 8.2649 115.7135 56.2092 36.8266 175.2030 38 C 4.3316 8.4099 121.3167 57.2272 40.9405 175.0577 39 I 3.6340 8.8486 121.3875 63.8143 37.8537 177.0236 40 N 5.0691 7.8919 117.2240 52.7078 38.1107 176.4106 41 Y 3.9625 8.2058 121.6337 62.1140 39.1505 176.2462 42 S 4.2084 8.1965 113.6991 61.2568 62.3907 175.7200 43 S 4.0734 8.0401 114.7144 61.0193 62.2015 175.7827 44 V 3.8051 7.2503 119.2490 65.7192 31.6570 176.6246 45 C 4.1957 8.0665 114.9277 60.1399 40.4866 175.9263 46 Q 4.3045 7.6273 118.3110 55.6735 28.7169 177.1142 47 G 4.0723 7.4829 117.6056 45.9188 0.0000 175.9754 48 E 4.3630 8.5583 119.9768 53.4726 29.5204 173.5148 49 K 4.3182 7.8123 122.1124 54.2629 33.2825 175.1291 50 S 4.2501 8.4579 119.5799 58.4258 65.5508 174.9048 51 S 3.7283 9.0138 124.2004 58.9884 60.7196 171.8015 52 G 4.2688 7.6882 104.8225 42.8449 0.0000 171.4652 53 P 4.3614 0.0000 0.0000 65.1096 31.7184 177.0560 54 S 4.5315 7.5153 111.5899 56.6777 65.4826 174.0043 55 S 4.4939 8.5195 125.5516 58.1030 62.5403 174.4475 56 G 3.8016 7.3326 111.3149 46.0462 0.0000 173.3598 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 G 8.35 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 0.00 0.00 0.00 2 S 8.34 4.11 0.00 3.94 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 3 S 8.85 4.06 0.00 3.80 3.86 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 4 G 7.55 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.54 0.00 3.98 3.89 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 6 S 8.49 4.00 0.00 3.91 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 7 G 7.74 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 8 W 7.99 4.76 0.00 3.33 3.18 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 9 T 7.53 5.33 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 1.37 0.00 0.00 10 C 8.58 5.16 0.00 2.99 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 11 N 8.21 5.14 0.00 2.74 2.72 0.00 0.00 6.54 6.24 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 12 K 8.38 3.70 0.00 1.61 1.44 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 1.25 7.81 13 F 8.33 4.27 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 14 R 8.47 4.08 0.00 2.12 2.08 0.00 3.36 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 15 C 7.81 4.32 0.00 3.00 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 16 G 8.56 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 17 E 7.66 4.76 0.00 2.14 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 0.00 2.32 2.50 0.00 18 K 8.23 4.67 0.00 1.72 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.39 7.81 19 R 9.06 4.46 0.00 1.67 1.82 0.00 3.19 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 20 L 8.27 4.72 0.00 1.68 1.59 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.68 4.41 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 22 R 7.60 4.56 0.00 1.74 1.75 0.00 3.40 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 23 S 7.77 4.45 0.00 3.76 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 24 L 8.46 3.71 0.00 0.32 0.13 -0.23 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.62 4.95 0.00 3.23 3.40 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 26 A 8.42 4.85 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 27 C 8.70 5.67 0.00 3.19 3.22 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 28 S 7.74 5.20 0.00 4.18 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 29 D 8.97 4.45 0.00 2.86 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 30 D 8.49 4.36 0.00 2.78 2.69 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 31 C 7.94 4.00 0.00 3.17 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.75 0.00 1.82 1.88 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.36 7.81 33 D 7.84 4.46 0.00 2.71 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 34 Q 8.24 4.13 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.75 0.00 35 G 7.70 3.97 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 0.00 0.00 0.00 36 D 7.88 4.99 0.00 2.54 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.26 4.79 0.00 2.69 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 38 C 8.41 4.33 0.00 2.94 3.23 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 0.00 0.00 0.00 0.00 39 I 8.85 3.63 1.88 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 1.47 0.64 1.07 0.00 0.00 40 N 7.89 5.07 0.00 2.92 3.02 0.00 0.00 5.90 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 41 Y 8.21 3.96 0.00 3.29 3.04 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 42 S 8.20 4.21 0.00 4.05 3.91 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 43 S 8.04 4.07 0.00 3.91 3.89 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 44 V 7.25 3.81 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 0.89 0.00 0.00 1.06 0.00 0.00 45 C 8.07 4.20 0.00 2.45 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 46 Q 7.63 4.30 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 47 G 7.48 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 0.00 0.00 0.00 48 E 8.56 4.36 0.00 1.87 1.81 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 2.15 2.18 0.00 49 K 7.81 4.32 0.00 1.65 1.64 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.33 7.81 50 S 8.46 4.25 0.00 3.86 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 51 S 9.01 3.73 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.69 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 54 S 7.52 4.53 0.00 3.78 3.71 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 55 S 8.52 4.49 0.00 3.86 3.82 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 56 G 7.33 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 0.00 0.00 0.00