NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2449 8.1801 120.9917 55.9691 41.7718 177.0642 2 A 4.2695 7.8050 122.3504 48.6708 17.6104 172.9692 3 A 4.2255 7.5740 116.7876 51.3588 23.0452 174.8727 4 V 4.5393 8.3486 122.6498 61.2858 34.5948 174.9607 5 S 4.3179 8.1588 116.3800 57.3845 65.2876 174.2411 6 V 3.9574 7.9325 119.2187 59.3870 31.3140 175.1143 7 D 4.6074 8.4041 125.4010 52.9616 40.3839 177.1163 8 C 4.8301 8.6658 121.8137 56.8834 43.8146 174.2326 9 S 4.3129 8.2278 115.9727 59.2951 63.3007 175.0954 10 E 4.1291 8.5253 118.6010 57.0209 29.9902 175.5758 11 Y 4.5396 7.0834 113.1746 55.0397 38.3111 173.5384 12 P 4.5413 0.0000 0.0000 61.6039 32.5284 178.1392 13 K 3.9388 8.5605 120.4083 59.1349 32.1424 176.7581 14 D 4.7204 8.0366 116.2318 54.2341 41.1924 176.3430 15 A 4.6218 8.2884 120.7314 49.7243 18.5531 174.9058 16 C 4.7725 7.8890 115.9756 55.9350 39.5027 173.7951 17 T 4.4109 7.8354 122.5461 60.1334 68.5593 176.6877 18 L 3.7831 8.6611 119.5686 58.0644 42.0098 176.8647 19 E 4.1406 7.8527 117.4385 56.7229 28.2481 174.8049 20 Y 4.6295 8.3979 124.7055 55.5889 41.5471 175.1300 21 R 4.8311 9.1227 125.8827 54.1262 33.9637 172.7492 22 P 5.6165 0.0000 0.0000 62.4500 33.0604 175.3026 23 L 5.1789 8.3608 120.2157 52.5194 47.1598 175.2336 24 C 5.2369 9.4552 119.9270 54.9925 44.9958 173.4726 25 G 4.5795 8.6192 113.2565 44.0463 0.0000 174.7562 26 S 3.9574 9.0805 116.0965 60.6580 62.1589 174.9175 27 D 4.5030 7.9961 117.9989 53.3806 39.7721 175.8898 28 N 4.0517 8.6483 118.1803 54.3716 37.6735 173.2500 29 K 4.0483 7.7234 117.0144 55.1173 34.0886 175.2847 30 T 4.5074 7.9992 124.1662 62.6454 68.9860 173.9756 31 Y 4.6422 8.6114 125.3886 56.9944 39.9772 176.8827 32 G 3.8291 8.3672 107.8485 45.7124 0.0000 172.3485 33 N 5.0489 7.1217 115.8278 52.6498 41.9067 174.5845 34 K 3.8873 8.0934 117.5697 59.2795 31.8174 180.3080 35 C 4.3238 7.9638 116.7446 59.9450 35.3609 175.3591 36 N 4.1996 8.0015 118.2431 56.5288 38.6226 176.6228 37 F 2.6814 8.0717 122.1846 60.9716 39.3117 176.4686 38 C 4.5829 8.6485 118.4605 59.2595 43.1211 175.1006 39 N 4.2206 8.0909 118.3853 56.6098 39.0033 176.4623 40 A 4.1302 7.8984 122.0530 54.9877 18.4453 179.5900 41 V 3.5408 8.1950 117.4913 66.2236 31.6091 178.5731 42 V 3.6041 8.1032 119.1127 64.9101 30.9174 177.8286 43 E 4.0610 7.9057 118.0757 58.1625 29.5646 177.9678 44 S 4.3942 7.9833 113.5855 58.7638 63.4142 174.4041 45 N 4.4538 7.4703 119.0968 53.2190 38.2335 174.3816 46 G 4.1040 8.2806 104.1539 46.3957 0.0000 174.4951 47 T 4.2254 7.6793 110.9453 62.6934 69.8425 175.4354 48 L 4.0311 7.8731 123.3380 55.2673 42.7605 175.3710 49 T 4.8473 8.3251 114.0444 59.8507 72.9682 171.9822 50 L 5.2864 8.4363 123.5262 53.8438 42.1513 175.8168 51 S 4.4615 9.1340 123.4895 61.4094 63.1964 173.1522 52 H 4.6251 7.6738 112.8236 55.7333 31.2016 173.5025 53 F 4.5463 9.2529 118.2849 57.0248 41.1026 177.2339 54 G 3.9798 8.6783 108.1565 45.8457 0.0000 172.6156 55 K 4.6429 8.4102 120.6996 55.1719 34.6240 177.2237 56 C 4.4971 8.2231 120.0495 57.0785 44.4633 173.2397 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 L 8.18 4.24 0.00 1.78 1.79 0.93 0.14 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 2 A 7.80 4.27 1.31 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 0.00 0.00 0.00 3 A 7.57 4.23 1.22 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 0.00 0.00 4 V 8.35 4.54 2.10 0.00 0.00 0.00 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 1.02 0.00 0.00 5 S 8.16 4.32 0.00 3.93 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 6 V 7.93 3.96 1.65 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 0.18 0.00 0.00 -0.13 0.00 0.00 7 D 8.40 4.61 0.00 2.91 2.79 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 8 C 8.67 4.83 0.00 2.95 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.31 0.00 4.03 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 10 E 8.53 4.13 0.00 1.69 1.39 0.00 0.00 0.00 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 2.45 0.00 11 Y 7.08 4.54 0.00 2.88 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 12 P 0.00 4.54 0.00 2.22 2.17 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 13 K 8.56 3.94 0.00 1.74 1.90 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.38 7.81 14 D 8.04 4.72 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.62 1.27 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 16 C 7.89 4.77 0.00 2.91 2.97 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 17 T 7.84 4.41 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 1.23 0.00 0.00 18 L 8.66 3.78 0.00 1.66 1.84 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.85 4.14 0.00 1.99 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 2.41 2.35 0.00 20 Y 8.40 4.63 0.00 3.13 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.12 4.83 0.00 1.73 1.89 0.00 3.21 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 22 P 0.00 5.62 0.00 2.34 2.35 0.00 3.97 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 23 L 8.36 5.18 0.00 2.05 1.59 0.97 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.46 5.24 0.00 2.68 2.49 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 0.00 25 G 8.62 4.58 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 0.00 0.00 0.00 26 S 9.08 3.96 0.00 3.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.50 0.00 2.82 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 28 N 8.65 4.05 0.00 2.80 3.00 0.00 0.00 7.02 5.78 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 29 K 7.72 4.05 0.00 1.97 0.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 1.25 7.81 30 T 8.00 4.51 4.10 0.00 0.00 0.00 0.00 0.00 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 31 Y 8.61 4.64 0.00 2.95 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 32 G 8.37 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 0.00 0.00 0.00 0.00 33 N 7.12 5.05 0.00 2.44 2.51 0.00 0.00 7.64 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 34 K 8.09 3.89 0.00 1.53 1.52 0.00 1.29 0.00 0.00 1.41 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 0.79 7.81 35 C 7.96 4.32 0.00 2.93 3.12 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 36 N 8.00 4.20 0.00 2.72 2.92 0.00 0.00 6.78 7.71 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 37 F 8.07 2.68 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 38 C 8.65 4.58 0.00 2.97 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 39 N 8.09 4.22 0.00 2.80 2.99 0.00 0.00 7.19 8.75 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 40 A 7.90 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.54 2.34 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 1.11 0.00 0.00 1.14 0.00 0.00 42 V 8.10 3.60 2.31 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 0.76 0.00 0.00 0.93 0.00 0.00 43 E 7.91 4.06 0.00 2.02 2.15 0.00 0.00 0.00 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 2.34 0.00 44 S 7.98 4.39 0.00 4.02 3.95 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 45 N 7.47 4.45 0.00 2.84 3.13 0.00 0.00 7.45 7.96 0.00 0.00 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 G 8.28 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.23 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 48 L 7.87 4.03 0.00 1.62 1.61 1.05 0.53 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 49 T 8.33 4.85 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 1.30 0.00 0.00 50 L 8.44 5.29 0.00 1.50 1.57 0.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.13 4.46 0.00 4.14 3.99 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 52 H 7.67 4.63 0.00 3.36 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.25 4.55 0.00 3.04 3.07 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 G 8.68 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 0.00 0.00 0.00 55 K 8.41 4.64 0.00 1.89 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.38 7.81 56 C 8.22 4.50 0.00 2.83 2.97 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