NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3611 8.3044 120.3248 54.7625 33.6738 175.2979 2 D 4.1980 8.4719 122.1566 53.2037 42.0728 174.1743 3 P 4.2385 0.0000 0.0000 66.2703 31.8642 177.9434 4 N 4.7367 8.0417 115.4371 55.6892 38.4787 177.5692 5 T 3.8739 8.0195 117.2054 66.5676 68.4852 176.7573 6 V 3.6526 7.7571 120.1120 66.0910 31.7481 178.2003 7 S 4.5267 8.2382 115.5680 61.1898 62.6670 176.6310 8 S 4.1901 8.4154 118.8879 61.1547 62.4874 176.3943 9 F 4.2727 8.3314 123.4160 61.3715 39.0372 177.1682 10 Q 3.9141 8.3900 117.7603 58.9434 28.5169 178.9187 11 V 3.7040 8.0413 119.3780 66.3162 31.5895 177.7065 12 D 4.4176 8.4110 118.8208 57.5581 40.6493 178.6398 13 C 4.0158 8.1737 117.5443 62.6988 28.0455 175.9587 14 F 4.3243 8.3314 122.1226 61.4937 39.0332 177.2110 15 L 3.7036 8.4215 118.9883 57.2082 41.3232 179.3531 16 W 3.8705 8.3505 128.5477 60.5944 30.6907 177.3404 17 H 4.1302 8.4956 118.2198 59.3791 29.2731 177.2265 18 V 3.3252 7.5255 119.8901 66.0872 31.2219 178.2565 19 R 3.9971 7.8013 117.7374 58.9707 29.7322 178.9215 20 K 3.4576 7.7330 119.8585 59.4050 32.0669 179.1474 21 R 3.8342 7.7690 118.3434 58.9507 29.8783 179.1142 22 V 3.4642 7.8296 117.9607 65.9364 31.5090 178.0073 23 A 3.9798 8.2182 120.6072 55.3159 18.0218 179.3430 24 D 4.3770 8.2249 116.7192 57.1664 40.8601 178.0310 25 Q 4.3009 7.5644 115.8268 54.8175 29.0357 175.3538 26 E 3.7491 7.8929 118.2262 57.8213 27.3322 175.1300 27 L 4.3930 7.5977 116.9868 54.4529 43.0040 177.3874 28 G 3.4994 7.5982 108.5150 44.4283 0.0000 174.1550 29 D 4.6669 8.2246 123.5247 52.0582 42.1622 177.4467 30 A 4.0251 8.3879 120.5842 54.9878 18.3071 177.9708 31 P 4.1999 0.0000 0.0000 65.5213 31.4235 178.5258 32 F 4.0364 8.6383 119.5922 61.4074 39.3041 177.2695 33 L 4.0679 8.2814 118.5587 57.7379 41.3695 179.1361 34 D 4.3854 8.3248 119.1817 57.5876 40.7077 179.1571 35 R 3.9137 8.1277 118.5405 58.8996 30.0091 178.8046 36 L 3.8608 7.7904 120.2795 58.0403 41.9560 179.0738 37 R 3.9827 8.0457 118.5826 59.5184 30.1212 178.3374 38 R 3.9074 8.1111 118.4980 59.7768 29.9853 178.2036 39 D 4.4648 8.5298 118.6218 56.9300 40.8052 178.5123 40 Q 3.2534 8.3490 120.4627 58.9284 29.0236 178.5320 41 K 3.9294 7.8422 119.2217 59.3046 31.9774 179.2762 42 S 4.0498 8.0829 113.3975 61.5627 62.3960 176.3648 43 L 4.1214 8.1647 121.8797 57.6509 41.2650 179.7426 44 R 4.0049 7.9767 118.4563 59.1500 29.9627 179.3444 45 G 3.5627 8.0535 105.5117 47.7693 0.0000 176.0365 46 R 3.9223 8.3287 121.0430 58.7623 30.1095 179.2161 47 G 3.4346 8.5631 105.7756 48.0026 0.0000 175.8043 48 S 4.0987 8.0505 117.9259 61.4936 62.6127 176.9484 49 T 3.8127 7.7164 117.3065 66.5444 68.2957 176.1985 50 L 4.1514 7.7365 118.8358 54.6970 41.8319 177.4029 51 G 3.8130 7.5233 106.3849 46.5247 0.0000 173.3426 52 L 4.7641 7.6870 117.9559 52.4233 44.7451 175.9287 53 D 4.9432 8.2873 118.8655 52.6932 43.4352 177.1245 54 I 3.6597 8.3989 127.6611 64.6030 37.0719 178.3537 55 E 3.9738 8.7110 119.5391 59.6374 29.1662 179.5613 56 T 3.9456 8.0469 115.0402 66.6864 68.5652 176.4761 57 A 4.0318 8.3149 122.7889 55.2861 18.2728 179.6848 58 T 3.8838 8.0971 114.5644 67.0688 68.5571 176.8985 59 R 3.8665 7.6888 118.1671 59.1278 30.0783 179.0214 60 A 4.0422 7.8605 120.8986 55.1189 18.3131 179.9579 61 G 3.5557 8.3776 104.6046 47.5463 0.0000 175.8123 62 K 2.4800 7.7035 121.8798 58.7505 32.1429 178.5466 63 Q 3.8300 7.6908 119.6702 59.2028 29.0166 178.3920 64 I 3.6382 7.6531 120.6062 64.4157 37.3023 178.5747 65 V 3.5984 7.8842 119.2697 66.1290 31.1482 177.7665 66 E 3.9565 8.1180 117.4947 59.3264 29.1451 179.1633 67 R 4.0216 8.0215 118.8751 59.4335 30.0736 178.5173 68 I 3.9098 7.5112 110.2963 62.8449 37.8959 177.0384 69 L 4.3666 7.5583 119.0897 55.4769 41.9842 176.8779 70 K 4.2564 7.6108 124.0377 56.6540 32.3198 175.9744 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 M 8.30 4.36 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 D 8.47 4.20 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.20 2.12 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 4 N 8.04 4.74 0.00 2.82 2.88 0.00 0.00 7.62 7.05 0.00 0.00 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 T 8.02 3.87 4.39 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 0.00 0.00 1.19 0.00 0.00 6 V 7.76 3.65 2.23 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 1.20 0.00 0.00 0.99 0.00 0.00 7 S 8.24 4.53 0.00 4.11 4.14 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 8 S 8.42 4.19 0.00 4.00 4.01 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 9 F 8.33 4.27 0.00 3.18 3.29 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 10 Q 8.39 3.91 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 11 V 8.04 3.70 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 1.17 0.00 0.00 1.03 0.00 0.00 12 D 8.41 4.42 0.00 2.91 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 13 C 8.17 4.02 0.00 2.84 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 14 F 8.33 4.32 0.00 3.24 3.25 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 0.00 15 L 8.42 3.70 0.00 1.71 1.66 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.35 3.87 0.00 3.47 3.32 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 17 H 8.50 4.13 0.00 3.47 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.53 3.33 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 0.83 0.00 0.00 0.20 0.00 0.00 19 R 7.80 4.00 0.00 1.58 1.50 0.00 3.05 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 20 K 7.73 3.46 0.00 0.79 1.48 0.00 1.31 0.00 0.00 1.34 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.36 7.81 21 R 7.77 3.83 0.00 1.86 1.86 0.00 3.29 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 22 V 7.83 3.46 2.26 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 0.61 0.00 0.00 0.91 0.00 0.00 23 A 8.22 3.98 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 0.00 0.00 0.00 0.00 0.00 24 D 8.22 4.38 0.00 2.75 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 25 Q 7.56 4.30 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 26 E 7.89 3.75 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 27 L 7.60 4.39 0.00 1.55 1.46 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.60 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.67 0.00 2.96 2.80 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 30 A 8.39 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.22 2.14 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 32 F 8.64 4.04 0.00 3.21 3.25 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 0.00 33 L 8.28 4.07 0.00 1.94 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.32 4.39 0.00 2.87 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 35 R 8.13 3.91 0.00 1.79 1.85 0.00 3.07 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 36 L 7.79 3.86 0.00 1.54 1.76 -0.15 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.05 3.98 0.00 1.99 2.10 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 38 R 8.11 3.91 0.00 1.94 2.06 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 39 D 8.53 4.46 0.00 3.04 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 40 Q 8.35 3.25 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.13 1.72 0.00 41 K 7.84 3.93 0.00 1.96 1.82 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 42 S 8.08 4.05 0.00 3.91 4.02 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 0.00 0.00 0.00 43 L 8.16 4.12 0.00 1.50 1.61 0.68 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.98 4.00 0.00 1.98 1.93 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 45 G 8.05 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 3.92 0.00 2.12 1.88 0.00 3.21 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 47 G 8.56 3.43 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 0.00 48 S 8.05 4.10 0.00 3.97 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 49 T 7.72 3.81 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 1.14 0.00 0.00 50 L 7.74 4.15 0.00 1.36 1.49 0.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.52 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 52 L 7.69 4.76 0.00 1.50 1.71 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.29 4.94 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 3.66 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.58 0.76 0.00 0.00 55 E 8.71 3.97 0.00 2.22 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 2.35 2.42 0.00 56 T 8.05 3.95 4.41 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 1.23 0.00 0.00 57 A 8.31 4.03 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 58 T 8.10 3.88 4.48 0.00 0.00 0.00 0.00 0.00 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 59 R 7.69 3.87 0.00 2.02 1.95 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 60 A 7.86 4.04 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 61 G 8.38 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.70 2.48 0.00 1.25 1.65 0.00 1.67 0.00 0.00 1.49 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.12 0.86 7.81 63 Q 7.69 3.83 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 64 I 7.65 3.64 1.97 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 1.39 1.01 0.91 0.00 0.00 65 V 7.88 3.60 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 1.19 0.00 0.00 1.16 0.00 0.00 66 E 8.12 3.96 0.00 2.01 1.96 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 2.31 2.34 0.00 67 R 8.02 4.02 0.00 1.87 2.09 0.00 3.08 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 68 I 7.51 3.91 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.76 0.95 0.00 0.00 69 L 7.56 4.37 0.00 1.74 1.77 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.61 4.26 0.00 1.91 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81