NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 3.9884 8.2549 120.8316 55.2660 30.3650 174.9046 2 P 4.0991 0.0000 0.0000 61.0324 32.4414 175.7533 3 D 4.3007 8.5591 120.9001 57.9214 41.6547 179.0879 4 F 4.4234 8.2535 114.1767 60.2465 37.2908 177.5825 5 C 4.4150 6.8995 118.1237 58.9783 43.1918 173.7486 6 L 4.6487 7.8475 119.4276 54.4962 41.2724 175.3915 7 E 4.5205 8.3277 121.1138 53.8055 30.4456 174.3694 8 P 4.4044 0.0000 0.0000 61.7303 32.0820 174.3940 9 P 4.0508 0.0000 0.0000 62.6372 31.6607 175.4459 10 Y 4.5279 8.1707 119.8356 56.4183 40.6453 175.2215 11 T 4.4494 8.3617 124.1892 63.2651 69.3698 174.9965 12 G 4.0403 7.2100 112.6739 43.2372 0.0000 170.9310 13 P 4.5994 0.0000 0.0000 62.8072 31.3438 176.9174 14 C 4.6007 7.8669 116.8513 57.2384 41.2183 174.1069 15 R 4.3377 8.0114 120.6873 54.3947 28.6902 173.7164 16 V 4.3532 7.2441 120.5522 61.2728 35.7820 174.7762 17 R 4.5287 8.2606 120.8252 54.3599 30.2229 172.9223 18 I 4.3805 9.0739 124.2021 59.0879 40.5147 174.8606 19 I 4.3910 8.2563 127.3715 60.2405 36.3435 175.4637 20 R 4.6539 8.0013 126.6851 55.1476 32.6299 174.4530 21 Y 5.7999 9.2341 117.4788 56.8395 41.9334 175.0548 22 F 5.7401 9.8623 116.4210 56.5604 42.4373 172.4377 23 Y 4.7235 9.5146 121.2651 55.8909 39.0545 174.2829 24 N 4.4375 7.8938 126.8903 52.9281 39.8618 175.0258 25 A 4.1534 8.5632 128.1781 52.3211 18.9748 177.1947 26 K 4.2681 8.8068 117.5252 58.0512 33.4317 177.5341 27 A 4.2119 7.9667 119.7566 51.5810 19.5282 178.7350 28 G 3.7878 7.9257 103.0783 45.3186 0.0000 172.9693 29 L 4.8361 6.9935 119.2811 53.6937 44.1886 174.7235 30 C 5.5916 8.5356 116.6983 56.1483 37.6693 173.4827 31 Q 4.9161 8.0099 121.9798 54.3458 32.3974 174.3921 32 T 5.6728 8.5652 110.4134 60.1692 71.5093 173.3500 33 F 4.8402 8.0250 114.8198 55.6121 41.0477 173.9302 34 V 4.5152 8.1483 121.5140 61.8739 29.1722 174.5103 35 Y 4.2618 8.6273 126.0947 57.2495 39.0001 176.3782 36 G 3.8229 8.8218 112.4955 45.1330 0.0000 174.4307 37 G 3.8053 5.3800 105.7156 45.5484 0.0000 174.4764 38 C 4.7962 7.7213 117.3885 55.6377 42.1874 174.4149 39 R 3.6572 9.0094 127.0730 56.4630 27.9858 176.3807 40 A 3.7145 8.0671 119.1270 52.7546 19.0991 178.5689 41 K 4.2684 8.2663 122.7432 55.7469 33.6932 177.0046 42 R 3.8331 8.5201 117.7128 59.5918 30.5731 177.6099 43 N 4.5094 8.1679 117.4506 52.0313 37.2926 175.6785 44 N 5.0218 6.7946 114.8649 52.0435 41.2312 174.4059 45 F 4.9650 8.9681 122.5137 55.6058 41.0492 177.4273 46 K 4.3056 8.7862 123.2613 58.3478 32.7275 177.2703 47 S 4.5662 7.7917 111.8203 56.1765 66.8255 174.7663 48 A 3.1889 6.8595 124.5010 55.0051 17.9494 180.1276 49 E 3.7659 7.6981 116.6664 59.6539 29.5912 178.9437 50 D 4.3505 7.8975 118.4246 57.7224 40.8803 178.6739 51 C 2.0000 7.7683 118.7669 59.1838 44.1919 175.5175 52 L 3.8008 7.8894 120.2942 57.8845 41.0968 179.7756 53 R 3.8161 8.0518 118.1061 58.8237 29.9889 178.0601 54 T 4.3259 7.4282 114.7063 65.5753 69.3450 175.4862 55 C 4.6499 8.4615 117.5457 54.5757 44.7306 171.7232 56 G 3.8017 7.8271 111.8340 45.9308 0.0000 173.7598 57 G 3.7425 8.4012 118.7351 44.3355 0.0000 171.7807 58 A 4.0292 9.1763 127.2025 52.4753 18.6739 178.2593 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 R 8.25 3.99 0.00 1.61 1.81 0.00 3.16 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.00 2 P 0.00 4.10 0.00 0.77 1.73 0.00 3.23 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 3 D 8.56 4.30 0.00 2.72 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 4 F 8.25 4.42 0.00 3.28 3.37 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 5 C 6.90 4.42 0.00 2.42 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 6 L 7.85 4.65 0.00 1.67 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.33 4.52 0.00 2.06 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 0.00 2.26 2.28 0.00 8 P 0.00 4.40 0.00 2.05 1.91 0.00 3.74 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 2.03 2.09 0.00 9 P 0.00 4.05 0.00 0.49 0.49 0.00 3.29 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 10 Y 8.17 4.53 0.00 2.77 2.84 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 11 T 8.36 4.45 4.21 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 1.33 0.00 0.00 12 G 7.21 4.04 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 0.00 0.00 0.00 13 P 0.00 4.60 0.00 2.18 2.12 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 14 C 7.87 4.60 0.00 2.94 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 15 R 8.01 4.34 0.00 1.70 1.77 0.00 3.33 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 16 V 7.24 4.35 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 0.67 0.00 0.00 0.82 0.00 0.00 17 R 8.26 4.53 0.00 1.74 1.70 0.00 3.21 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 18 I 9.07 4.38 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.95 0.00 0.00 19 I 8.26 4.39 1.84 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 1.31 0.34 0.74 0.00 0.00 20 R 8.00 4.65 0.00 0.67 1.70 0.00 3.29 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 21 Y 9.23 5.80 0.00 3.30 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 22 F 9.86 5.74 0.00 3.24 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 23 Y 9.51 4.72 0.00 2.98 3.28 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 24 N 7.89 4.44 0.00 2.22 2.44 0.00 0.00 7.00 7.17 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 25 A 8.56 4.15 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 26 K 8.81 4.27 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.49 7.81 27 A 7.97 4.21 1.21 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 0.00 0.00 28 G 7.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.99 4.84 0.00 1.72 1.76 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.54 5.59 0.00 2.91 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 31 Q 8.01 4.92 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.02 0.00 32 T 8.57 5.67 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 33 F 8.02 4.84 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.52 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 0.67 0.00 0.00 0.93 0.00 0.00 35 Y 8.63 4.26 0.00 2.45 2.60 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 0.00 0.00 0.00 0.00 36 G 8.82 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 0.00 0.00 0.00 37 G 5.38 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.72 4.80 0.00 3.13 3.09 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 39 R 9.01 3.66 0.00 2.03 2.19 0.00 3.31 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 40 A 8.07 3.71 1.11 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 0.00 0.00 41 K 8.27 4.27 0.00 1.85 1.98 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.06 1.21 7.81 42 R 8.52 3.83 0.00 1.92 1.75 0.00 2.99 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 43 N 8.17 4.51 0.00 2.85 2.83 0.00 0.00 7.51 7.76 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 44 N 6.79 5.02 0.00 2.58 2.57 0.00 0.00 6.67 7.65 0.00 0.00 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 F 8.97 4.97 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 46 K 8.79 4.31 0.00 1.83 1.93 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.51 7.81 47 S 7.79 4.57 0.00 3.89 3.88 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 48 A 6.86 3.19 0.93 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 0.00 0.00 49 E 7.70 3.77 0.00 1.96 1.92 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 2.34 2.38 0.00 50 D 7.90 4.35 0.00 2.94 2.86 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 51 C 7.77 2.00 0.00 2.91 2.91 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 52 L 7.89 3.80 0.00 1.62 1.62 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.05 3.82 0.00 1.91 2.02 0.00 3.20 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 54 T 7.43 4.33 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 1.79 0.00 0.00 55 C 8.46 4.65 0.00 2.78 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 56 G 7.83 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 57 G 8.40 3.74 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 0.00 0.00 0.00 58 A 9.18 4.03 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