NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9147 8.3393 109.7361 45.9656 0.0000 174.2515 2 S 4.4254 8.3467 116.4647 57.7362 63.1228 173.8247 3 I 3.7020 8.4410 125.7689 64.5344 38.0687 179.0788 4 I 3.7296 7.6659 120.4100 64.2927 37.0367 177.9324 5 N 4.3562 8.0558 116.8588 56.4314 38.4999 177.2207 6 E 4.0019 8.2568 119.9674 59.6984 29.4301 179.6091 7 T 3.9045 8.3499 116.0124 66.3667 68.4420 176.6646 8 A 3.9914 8.0908 122.7741 55.3938 18.3554 179.4585 9 D 4.3474 8.1865 117.3591 57.6182 40.7508 178.8296 10 D 4.4194 8.2298 119.5267 57.1983 40.8053 178.8781 11 I 3.7250 8.0972 120.7180 64.3649 37.1634 178.6223 12 V 3.6019 7.9895 119.1525 66.0460 31.4504 177.3485 13 Y 3.9757 8.3739 119.5368 60.8488 38.5710 178.3362 14 R 3.9504 8.4340 119.2026 59.4072 30.2395 179.1572 15 L 4.0871 8.1097 118.4819 57.6619 41.5200 179.6737 16 T 3.8403 7.9181 116.1985 66.3630 68.2474 176.7136 17 V 3.4423 7.3587 119.6481 65.9725 31.5455 178.1271 18 I 3.6621 7.4337 119.1300 64.4838 37.0170 178.3704 19 I 3.7028 8.1231 120.9161 64.6159 36.8830 178.0713 20 D 4.4053 8.4988 119.1718 57.2549 41.0258 177.7351 21 D 4.3194 8.3811 118.8555 57.4980 41.2839 178.5287 22 R 3.9725 8.1419 118.6264 59.1036 30.0219 178.4260 23 Y 4.0469 8.1904 119.4373 60.8296 38.8245 177.9051 24 E 3.6653 8.5255 119.7566 59.4291 29.5297 179.6048 25 S 4.0673 8.0058 115.0769 61.6228 62.8317 176.8373 26 L 3.9340 7.8755 121.6428 57.3764 41.3527 179.3643 27 K 3.6944 8.0340 119.9884 59.6193 31.9940 178.6373 28 N 4.2943 8.3264 117.0935 56.0215 38.3162 177.2507 29 L 3.8903 7.9759 121.7502 58.2292 42.2685 179.0416 30 I 3.6639 7.9872 120.1075 64.7322 36.9361 178.6138 31 T 3.8585 7.9276 116.4932 66.4059 68.1776 176.5313 32 L 3.9150 8.1365 122.4845 58.3796 42.1934 179.3517 33 R 3.8950 8.3047 117.9845 58.9226 29.9379 179.0107 34 A 3.9839 8.0919 120.7793 55.2595 18.4443 179.4091 35 D 4.3157 8.3556 117.7186 57.4897 40.8016 179.2126 36 R 3.9247 8.2544 118.7929 59.3532 30.0270 179.1155 37 L 3.9791 7.9935 118.6249 57.8007 41.5002 179.4723 38 E 3.9382 8.2585 118.5248 59.5864 29.3981 179.1195 39 M 4.0063 8.1391 118.1743 58.6257 32.2340 178.2693 40 I 3.6964 7.9604 120.1082 64.4278 37.2567 178.4803 41 I 3.6873 7.9818 120.7163 64.5171 37.0426 178.2756 42 N 4.3318 8.3844 117.4791 56.3897 38.3564 177.2865 43 D 4.3359 8.5337 120.6254 57.5590 40.8860 178.6458 44 N 4.3589 8.4179 117.2166 56.2155 38.4583 177.6886 45 V 3.5737 8.0200 119.8139 65.9965 31.5597 178.2369 46 S 4.1203 8.0049 114.7509 61.9322 62.4717 176.7757 47 T 3.8574 7.6091 117.0155 66.6969 68.4323 176.4327 48 I 3.8583 7.9619 121.7160 64.5021 37.0580 178.5331 49 L 3.9705 8.3749 119.9551 57.6228 41.2383 178.9086 50 A 4.2554 8.1146 118.5171 53.5729 18.4584 178.3969 51 S 4.6272 8.0361 112.2872 57.1865 64.5460 174.3493 52 G 3.9197 7.5028 114.9882 45.6391 0.0000 173.7054 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 8.34 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 0.00 0.00 0.00 2 S 8.35 4.43 0.00 4.13 4.08 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 3 I 8.44 3.70 1.87 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 1.64 1.59 0.91 0.00 0.00 4 I 7.67 3.73 1.87 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 1.64 0.70 0.91 0.00 0.00 5 N 8.06 4.36 0.00 2.92 2.86 0.00 0.00 7.13 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 6 E 8.26 4.00 0.00 2.15 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 2.31 2.50 0.00 7 T 8.35 3.90 4.38 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 1.22 0.00 0.00 8 A 8.09 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.19 4.35 0.00 2.91 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 10 D 8.23 4.42 0.00 2.94 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 11 I 8.10 3.73 2.05 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 1.43 1.07 0.93 0.00 0.00 12 V 7.99 3.60 2.25 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 1.02 0.00 0.00 0.99 0.00 0.00 13 Y 8.37 3.98 0.00 3.21 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 14 R 8.43 3.95 0.00 1.97 2.00 0.00 3.23 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 15 L 8.11 4.09 0.00 1.79 1.70 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.92 3.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 17 V 7.36 3.44 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 1.05 0.00 0.00 0.59 0.00 0.00 18 I 7.43 3.66 1.99 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 1.74 0.96 0.91 0.00 0.00 19 I 8.12 3.70 2.00 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 1.40 1.00 0.90 0.00 0.00 20 D 8.50 4.41 0.00 2.72 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 21 D 8.38 4.32 0.00 2.80 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 22 R 8.14 3.97 0.00 1.91 1.98 0.00 3.35 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 23 Y 8.19 4.05 0.00 3.01 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 3.67 0.00 2.14 1.94 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 2.66 2.56 0.00 25 S 8.01 4.07 0.00 4.00 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 26 L 7.88 3.93 0.00 1.72 1.64 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.03 3.69 0.00 1.00 1.54 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.32 7.81 28 N 8.33 4.29 0.00 2.84 2.80 0.00 0.00 6.72 6.30 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 29 L 7.98 3.89 0.00 1.79 1.80 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.99 3.66 1.82 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 1.50 0.83 0.89 0.00 0.00 31 T 7.93 3.86 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 32 L 8.14 3.92 0.00 1.79 1.86 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.30 3.89 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 34 A 8.09 3.98 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 35 D 8.36 4.32 0.00 2.82 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 36 R 8.25 3.92 0.00 2.00 1.97 0.00 3.12 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 1.64 1.81 0.00 37 L 7.99 3.98 0.00 1.90 1.71 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.26 3.94 0.00 2.16 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 2.33 2.58 0.00 39 M 8.14 4.01 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 40 I 7.96 3.70 2.01 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 1.52 0.66 0.91 0.00 0.00 41 I 7.98 3.69 2.01 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 1.52 0.73 0.91 0.00 0.00 42 N 8.38 4.33 0.00 2.88 2.86 0.00 0.00 7.10 8.93 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 43 D 8.53 4.34 0.00 2.68 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 44 N 8.42 4.36 0.00 2.78 2.86 0.00 0.00 6.71 8.51 0.00 0.00 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 V 8.02 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 46 S 8.00 4.12 0.00 4.12 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 47 T 7.61 3.86 4.40 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 1.21 0.00 0.00 48 I 7.96 3.86 2.01 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 1.52 0.80 0.91 0.00 0.00 49 L 8.37 3.97 0.00 1.80 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.11 4.26 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 51 S 8.04 4.63 0.00 3.96 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 52 G 7.50 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