NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3502 8.3001 120.3668 54.6922 33.4000 174.8657 2 A 3.7878 8.5504 125.7670 51.6696 18.6598 176.0816 3 K 4.1360 8.7366 124.9946 55.3329 33.9892 174.7189 4 G 4.2772 8.0241 112.4435 43.9030 0.0000 173.4567 5 K 4.2269 7.8407 120.2683 55.2301 30.1000 175.2743 6 D 4.3463 7.3180 126.3139 53.6830 47.3800 176.0000 7 V 4.2153 7.8070 128.2108 60.8250 32.7545 174.6183 8 R 4.6490 7.8034 122.2021 54.0162 32.1285 176.1947 9 V 4.1251 7.5774 113.3621 60.5320 33.4686 172.7571 10 K 4.0106 8.7161 124.1598 56.4652 32.2809 178.3965 11 V 3.8390 8.2098 126.1688 61.9887 29.2773 172.7371 12 I 4.6871 7.5698 120.5152 58.8020 39.8656 174.1974 13 L 4.9718 8.1349 131.0274 53.4926 42.8791 174.1093 14 E 4.7397 8.2822 118.0472 56.4881 34.5948 175.2735 15 C 5.1350 8.2908 116.1833 59.4711 29.7256 173.6366 16 T 4.1798 8.4524 120.0966 62.5969 69.7748 174.8416 17 G 3.7430 8.4687 113.9474 44.9788 0.0000 172.5361 18 C 4.0433 8.6326 121.2553 61.1231 31.9479 174.0704 19 V 3.3919 8.4280 119.4309 62.1401 28.9753 172.9351 20 R 4.7517 7.5091 118.6278 55.1853 34.7095 174.0962 21 K 4.1620 7.9153 117.7723 56.9120 33.8897 175.5021 22 S 3.7498 8.8035 116.7343 58.0216 62.1033 171.0988 23 V 3.4516 8.3282 116.3582 62.0174 30.2557 172.7317 24 N 4.5395 7.3961 114.2906 53.8129 42.1882 173.2786 25 K 4.5942 8.4179 124.9964 54.3820 34.7313 175.9716 26 G 4.0838 8.3660 112.0496 44.3121 0.0000 171.7286 27 S 4.4514 8.0119 122.3975 57.9622 66.2760 173.9337 28 R 4.0168 8.8408 120.9215 59.8617 30.3912 178.3726 29 G 4.1962 7.7070 104.1540 43.4799 0.0000 171.3748 30 V 4.5538 7.4933 119.2089 59.9374 35.1381 175.8769 31 S 4.8029 8.2021 114.6725 55.9423 65.5771 174.1957 32 R 4.2654 8.0715 117.8409 55.8885 30.2671 176.5474 33 Y 4.1982 8.5399 117.9218 60.5895 38.8204 176.6674 34 I 3.6543 7.7170 118.5645 61.1702 37.7177 175.4901 35 T 3.2934 6.9380 107.2154 62.4308 67.2126 170.6961 36 Q 4.2067 7.7306 128.9953 55.4660 30.5150 174.6154 37 K 4.6322 8.2287 124.2390 54.6196 33.7788 175.4942 38 N 4.7738 8.2989 125.1555 52.8161 40.2743 174.7614 39 R 4.2719 8.3858 115.4996 56.0257 31.1089 174.4873 40 H 4.1765 7.7918 116.7482 56.9656 29.6883 175.2410 41 N 4.3441 8.2531 118.3692 56.6524 39.1226 176.0918 42 T 3.7918 7.7709 113.2186 62.9664 68.8877 171.0392 43 P 4.3907 0.0000 0.0000 62.7850 32.4683 175.8186 44 S 4.5391 7.9143 118.4146 56.9637 62.2540 174.2570 45 R 3.7535 9.7222 121.3505 56.3148 30.8075 173.1159 46 L 3.5607 8.4203 126.2671 54.7361 38.0687 173.0449 47 E 4.7480 7.6478 119.8169 54.2620 32.1425 175.8836 48 L 4.3897 8.0270 117.0337 55.3269 42.6183 174.4373 49 R 4.5797 8.4340 119.7743 54.8285 34.0496 174.3945 50 K 4.3272 8.9642 124.1716 57.1241 32.9382 175.8287 51 F 5.0367 8.7239 126.9201 56.1606 43.4454 173.7497 52 C 4.6476 6.5164 117.7031 56.1510 29.6758 171.7763 53 P 4.6802 0.0000 0.0000 62.3249 32.5744 174.4669 54 Y 4.2367 8.1561 117.8050 60.5518 39.3199 176.2883 55 C 3.7855 8.0112 114.8583 59.5141 30.5320 174.5867 56 Y 3.3272 8.2599 122.9201 57.8105 36.4082 168.8588 57 K 4.4860 8.1343 118.2022 56.7511 36.0147 171.6629 58 H 4.1930 9.0393 128.1095 55.6537 29.9630 172.5853 59 T 4.8236 8.5991 115.6394 61.6959 68.5753 173.7226 60 I 4.2268 8.6362 117.3751 62.9720 39.0669 175.7238 61 H 4.2328 8.6072 116.2339 54.6375 27.7394 174.9858 62 G 4.0285 8.9617 107.5689 47.8939 0.0000 173.9666 63 E 4.2309 7.8328 129.8082 56.7559 30.7458 178.6213 64 I 3.0772 8.3289 109.9374 62.1381 35.5565 174.7749 65 K 4.1799 8.2359 125.8517 56.7794 32.5135 177.4045 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 4.35 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 A 8.55 3.79 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 3 K 8.74 4.14 0.00 1.73 1.71 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 4 G 8.02 4.28 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 0.00 0.00 0.00 5 K 7.84 4.23 0.00 1.74 1.80 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 6 D 7.32 4.35 0.00 2.57 2.41 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 7 V 7.81 4.22 2.08 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 0.91 0.00 0.00 0.93 0.00 0.00 8 R 7.80 4.65 0.00 1.92 1.90 0.00 3.12 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 9 V 7.58 4.13 2.06 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 0.62 0.00 0.00 0.91 0.00 0.00 10 K 8.72 4.01 0.00 1.73 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 V 8.21 3.84 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 0.96 0.00 0.00 0.92 0.00 0.00 12 I 7.57 4.69 1.85 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 1.28 0.94 0.00 0.00 13 L 8.13 4.97 0.00 1.73 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.28 4.74 0.00 2.24 1.82 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 2.30 2.33 0.00 15 C 8.29 5.14 0.00 2.83 2.96 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 16 T 8.45 4.18 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 17 G 8.47 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 18 C 8.63 4.04 0.00 2.95 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 19 V 8.43 3.39 2.07 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 0.72 0.00 0.00 0.90 0.00 0.00 20 R 7.51 4.75 0.00 1.67 1.82 0.00 3.11 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 21 K 7.92 4.16 0.00 1.81 1.69 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 22 S 8.80 3.75 0.00 4.20 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 23 V 8.33 3.45 2.24 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 0.95 0.00 0.00 1.42 0.00 0.00 24 N 7.40 4.54 0.00 2.66 2.78 0.00 0.00 6.77 6.54 0.00 0.00 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 K 8.42 4.59 0.00 1.71 1.78 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.50 7.81 26 G 8.37 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 0.00 0.00 0.00 27 S 8.01 4.45 0.00 3.83 3.78 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 0.00 0.00 0.00 0.00 28 R 8.84 4.02 0.00 1.77 1.94 0.00 3.17 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 29 G 7.71 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 0.00 0.00 0.00 0.00 30 V 7.49 4.55 2.08 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 0.95 0.00 0.00 0.94 0.00 0.00 31 S 8.20 4.80 0.00 3.94 3.84 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 32 R 8.07 4.27 0.00 2.06 2.17 0.00 2.92 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 33 Y 8.54 4.20 0.00 2.91 3.23 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 0.00 0.00 0.00 0.00 34 I 7.72 3.65 1.64 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.11 0.66 0.00 0.00 35 T 6.94 3.29 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 36 Q 7.73 4.21 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.88 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 37 K 8.23 4.63 0.00 1.67 1.64 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.48 7.81 38 N 8.30 4.77 0.00 2.75 2.79 0.00 0.00 6.93 8.71 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 39 R 8.39 4.27 0.00 1.78 1.96 0.00 3.49 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 40 H 7.79 4.18 0.00 3.23 3.28 0.00 5.94 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.25 4.34 0.00 2.75 2.86 0.00 0.00 6.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.77 3.79 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 43 P 0.00 4.39 0.00 2.02 2.08 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 44 S 7.91 4.54 0.00 3.91 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 45 R 9.72 3.75 0.00 1.94 1.95 0.00 3.57 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 46 L 8.42 3.56 0.00 1.84 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.65 4.75 0.00 2.12 2.04 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 2.27 2.27 0.00 48 L 8.03 4.39 0.00 1.72 1.64 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.43 4.58 0.00 1.68 1.87 0.00 3.19 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 50 K 8.96 4.33 0.00 1.89 1.92 0.00 1.18 0.00 0.00 2.33 0.00 0.00 2.70 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.28 7.81 51 F 8.72 5.04 0.00 2.87 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 0.00 0.00 0.00 0.00 52 C 6.52 4.65 0.00 2.73 2.42 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 0.00 53 P 0.00 4.68 0.00 2.32 2.32 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 54 Y 8.16 4.24 0.00 2.85 2.98 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 55 C 8.01 3.79 0.00 3.34 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 56 Y 8.26 3.33 0.00 3.02 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 57 K 8.13 4.49 0.00 1.71 1.74 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.36 7.81 58 H 9.04 4.19 0.00 3.25 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.60 4.82 4.28 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 1.23 0.00 0.00 60 I 8.64 4.23 1.91 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 1.17 0.95 0.00 0.00 61 H 8.61 4.23 0.00 3.61 3.49 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.83 4.23 0.00 2.27 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 2.24 0.00 64 I 8.33 3.08 1.88 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 1.48 0.74 0.93 0.00 0.00 65 K 8.24 4.18 0.00 1.89 1.79 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.50 7.81