NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5397 8.3644 120.5286 53.8075 42.3085 173.8963 3 N 4.3005 8.4491 118.9914 51.3166 38.9295 172.7537 4 P 4.2993 0.0000 0.0000 63.7617 32.9457 176.6021 5 S 3.9697 8.8726 115.1412 59.1111 60.9309 174.2581 6 L 4.1047 7.4718 123.0549 59.4263 39.8730 178.8911 7 S 4.0240 8.0001 114.5764 60.2355 62.9581 176.3142 8 I 3.7957 7.5105 123.5375 64.4084 37.0075 176.8528 9 D 4.4219 8.8769 120.0576 57.5836 40.7885 178.2776 10 L 4.0135 7.6382 119.3195 59.4380 40.2779 179.4033 11 T 4.1897 7.7648 116.5404 66.3156 68.4330 176.6673 12 F 3.6987 9.9081 119.6149 60.7446 38.9597 177.7038 13 H 4.2243 9.0165 116.4781 58.6632 28.6911 177.7459 14 L 4.0316 8.9151 123.1034 58.8280 40.3422 179.1916 15 L 3.9514 8.6440 121.8213 58.2462 39.9935 179.1703 16 R 3.7665 7.7212 119.1551 59.5879 29.9754 178.4490 17 T 4.0310 7.7643 115.3204 66.6237 68.1870 176.1987 18 L 3.9132 7.9138 121.8413 58.8294 40.0757 179.2195 19 L 4.1500 7.7366 119.6314 57.9141 40.8426 178.4635 20 E 3.8700 9.1257 121.5900 58.9326 29.4967 178.8697 21 L 3.9533 8.5787 120.0307 58.7085 40.4406 179.1737 22 A 3.9457 7.5779 120.3413 54.8317 18.3475 179.6908 23 R 3.9135 8.6271 117.3891 59.8168 30.2831 179.3588 24 T 3.8253 8.0612 115.4710 66.6544 68.3672 176.2903 25 Q 3.9369 8.3841 121.7272 59.3162 29.0593 178.2300 26 S 4.1041 8.6884 114.7180 61.5301 61.0618 175.5838 27 Q 3.9428 8.5736 122.7125 59.4952 28.3876 179.0690 28 R 4.1802 7.8985 116.0632 58.7499 29.5204 177.7924 29 E 4.3277 8.9280 121.5749 59.4495 29.4121 179.0052 30 R 3.9545 8.6905 115.7382 59.5356 29.2891 178.5210 31 A 4.0500 7.4436 118.5407 54.6514 18.4434 179.4878 32 E 3.8756 9.2355 118.0182 59.8689 29.5665 179.4743 33 Q 3.7135 9.1728 118.8535 59.0554 28.7168 178.9553 34 N 4.5338 7.8973 117.7795 56.5302 38.6073 177.6487 35 R 4.1807 8.0224 117.2091 59.1771 29.4048 178.7826 36 I 3.7131 8.4888 120.9777 64.3143 37.4449 178.2080 37 I 3.9014 8.5752 121.3713 64.2990 36.7705 178.1946 38 F 3.8684 8.5006 117.8438 60.8297 38.9346 176.8773 39 D 4.7996 8.2812 114.6825 54.5261 41.7672 177.1171 40 S 4.6363 8.2529 114.4215 57.0579 62.9668 174.2546 41 V 3.8334 7.5723 118.1234 61.7533 31.4260 176.8388 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 2 D 8.36 4.54 0.00 2.65 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 3 N 8.45 4.30 0.00 2.72 2.70 0.00 0.00 6.84 6.72 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 4 P 0.00 4.30 0.00 2.24 2.27 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 5 S 8.87 3.97 0.00 3.95 3.87 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 0.00 0.00 0.00 6 L 7.47 4.10 0.00 1.93 1.94 0.92 0.80 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 7 S 8.00 4.02 0.00 4.09 4.17 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 0.00 0.00 0.00 0.00 8 I 7.51 3.80 1.89 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 1.50 1.01 0.54 0.00 0.00 9 D 8.88 4.42 0.00 2.80 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 10 L 7.64 4.01 0.00 1.81 1.95 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.76 4.19 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 12 F 9.91 3.70 0.00 3.24 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 13 H 9.02 4.22 0.00 3.52 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.92 4.03 0.00 1.81 1.97 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.64 3.95 0.00 1.81 2.04 0.70 -0.08 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 R 7.72 3.77 0.00 1.81 2.25 0.00 3.09 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 17 T 7.76 4.03 4.42 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 1.21 0.00 0.00 18 L 7.91 3.91 0.00 1.91 1.93 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.74 4.15 0.00 1.91 1.91 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.13 3.87 0.00 2.09 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 0.00 2.31 2.36 0.00 21 L 8.58 3.95 0.00 1.91 1.99 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.58 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.63 3.91 0.00 1.96 1.99 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 24 T 8.06 3.83 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 1.21 0.00 0.00 25 Q 8.38 3.94 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 26 S 8.69 4.10 0.00 3.96 4.06 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 Q 8.57 3.94 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 28 R 7.90 4.18 0.00 2.27 2.16 0.00 3.11 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 29 E 8.93 4.33 0.00 2.09 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 0.00 2.50 2.36 0.00 30 R 8.69 3.95 0.00 2.04 2.20 0.00 3.06 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 31 A 7.44 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.24 3.88 0.00 2.10 2.02 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 0.00 2.33 2.40 0.00 33 Q 9.17 3.71 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 34 N 7.90 4.53 0.00 2.94 2.96 0.00 0.00 7.08 7.60 0.00 0.00 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 R 8.02 4.18 0.00 2.08 2.17 0.00 3.00 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 36 I 8.49 3.71 2.03 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 1.69 0.82 0.93 0.00 0.00 37 I 8.58 3.90 1.93 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 1.72 0.79 0.84 0.00 0.00 38 F 8.50 3.87 0.00 3.23 3.11 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 0.00 0.00 0.00 0.00 39 D 8.28 4.80 0.00 2.85 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 40 S 8.25 4.64 0.00 3.74 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 41 V 7.57 3.83 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 0.73 0.00 0.00 0.89 0.00 0.00