NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5331 8.1633 120.3317 54.7727 33.8980 176.3212 2 K 3.7266 8.6212 119.1029 59.3956 31.9569 178.9071 3 F 4.0346 8.3451 117.6769 60.4275 39.3923 177.1288 4 I 3.5611 7.9547 117.5117 64.1184 37.8835 177.6359 5 A 3.8967 7.6471 120.1667 54.9319 18.1651 179.4360 6 A 3.9315 8.0338 119.5391 55.5539 18.5448 179.5279 7 Y 4.2923 8.1137 116.3292 59.9066 38.2768 177.8214 8 L 3.7840 7.4607 122.2685 57.8619 41.6249 178.7119 9 L 3.9440 8.3338 120.4080 58.1971 42.1629 178.8161 10 A 4.0727 8.1253 120.7481 55.2878 18.0580 178.9742 11 Y 3.4942 8.0013 117.3532 60.5820 38.9375 177.8519 12 L 4.1929 7.7734 119.1479 57.9188 41.8559 179.4896 13 S 4.2537 7.5429 111.9324 59.7668 63.0324 175.3455 14 G 3.7924 7.6022 109.1232 44.7837 0.0000 173.3941 15 N 4.4152 7.2568 116.2045 52.5279 39.1493 175.0773 16 A 4.1584 8.3419 124.6272 52.1782 19.1291 177.7936 17 S 4.5914 8.4537 115.0382 56.1560 63.0693 172.1094 18 P 4.6915 0.0000 0.0000 60.8455 33.1892 175.6040 19 S 4.1683 7.9821 113.1334 61.1291 62.4909 175.8381 20 A 4.0091 8.1958 124.8119 55.2298 19.2619 178.9016 21 E 4.1314 8.3543 115.2463 58.8703 30.1685 176.7209 22 D 4.7447 8.0186 115.4921 55.4986 43.8967 177.6835 23 L 3.9703 7.9964 119.9245 58.5260 42.0123 178.9556 24 T 3.8647 8.0610 113.0526 65.0729 67.1884 176.0569 25 S 4.0514 8.0168 114.6562 61.3974 62.5764 176.0768 26 I 3.6774 8.0738 122.7782 64.4620 36.9490 178.4944 27 L 3.9247 7.7044 119.2948 57.7716 41.3843 179.4289 28 E 3.9706 8.8731 119.0093 59.4565 29.1566 179.3423 29 S 4.1149 8.1178 112.4747 61.2809 62.4541 176.0906 30 V 3.7329 7.4871 120.3427 64.2224 31.2525 176.8277 31 G 3.9794 7.9497 105.3842 45.1052 0.0000 172.3730 32 C 4.6326 7.3444 118.5109 57.0830 33.3474 172.6963 33 E 4.1958 8.4937 126.1581 55.4741 29.9418 175.7757 34 I 4.1323 8.1351 126.5134 60.1570 39.4265 174.7794 35 D 4.6651 8.8700 126.4878 53.6376 42.5169 176.6481 36 N 4.3648 8.8174 125.2537 56.7788 39.0650 176.4103 37 E 3.9189 8.1465 120.8670 59.2422 29.7381 178.9920 38 K 3.6054 7.7969 118.0413 59.3751 31.9502 178.8570 39 M 4.1741 8.0009 118.2557 58.6277 32.1103 177.9120 40 E 3.9067 8.6460 119.9242 59.1037 29.7451 178.5293 41 L 3.8821 8.1835 120.7677 58.4324 42.1901 178.8843 42 M 3.9770 7.8762 118.6067 58.2462 31.8200 178.5192 43 L 3.8338 8.2395 120.9132 58.1496 42.0419 178.9762 44 S 4.0532 8.0972 112.3862 61.3682 62.3890 175.5470 45 Q 4.0461 8.0418 121.5808 59.1694 29.0579 178.1126 46 V 3.6050 7.7815 119.3205 64.3956 31.4617 176.1850 47 K 3.9198 7.1721 119.4169 58.0296 32.2574 176.4086 48 G 3.8882 8.9384 113.2386 45.8279 0.0000 172.5106 49 K 4.3991 7.7824 119.7148 54.2566 34.1535 176.1609 50 D 4.6811 8.2880 124.4431 53.0233 41.7541 177.0399 51 I 3.6157 7.9867 129.3871 64.4413 37.1435 178.2237 52 T 3.8925 7.8212 114.1961 65.0921 67.2844 176.2458 53 E 3.9913 8.0722 120.2279 59.1868 29.3812 178.8040 54 L 4.0030 7.5064 119.2172 57.9784 42.2127 178.3534 55 L 4.0403 7.5877 118.7075 58.0674 42.0533 178.5085 56 A 4.0795 7.6616 118.9611 54.1077 18.8030 178.1704 57 A 4.0156 7.1172 118.6412 52.3183 19.0336 177.0802 58 G 4.1219 8.3940 110.8408 44.0161 0.0000 173.8084 59 R 4.1456 8.2431 120.8657 56.2133 30.4590 174.9329 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 8.16 4.53 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 2 K 8.62 3.73 0.00 1.35 1.51 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 3 F 8.35 4.03 0.00 3.27 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 4 I 7.95 3.56 1.92 0.00 0.00 0.73 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 1.07 0.94 0.00 0.00 5 A 7.65 3.90 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.03 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.11 4.29 0.00 3.30 3.31 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 8 L 7.46 3.78 0.00 1.44 1.75 0.89 0.23 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 9 L 8.33 3.94 0.00 1.87 1.84 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.13 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 3.49 0.00 3.36 3.20 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 12 L 7.77 4.19 0.00 1.87 1.73 1.04 0.78 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 13 S 7.54 4.25 0.00 4.04 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 14 G 7.60 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 15 N 7.26 4.42 0.00 2.74 2.97 0.00 0.00 6.89 7.23 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 16 A 8.34 4.16 1.24 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 0.00 0.00 0.00 17 S 8.45 4.59 0.00 4.04 4.09 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 18 P 0.00 4.69 0.00 2.24 2.23 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 19 S 7.98 4.17 0.00 3.89 3.72 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 20 A 8.20 4.01 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.35 4.13 0.00 1.93 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 2.30 2.40 0.00 22 D 8.02 4.74 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 23 L 8.00 3.97 0.00 1.88 1.81 1.04 0.77 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 24 T 8.06 3.86 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 1.25 0.00 0.00 25 S 8.02 4.05 0.00 3.99 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 26 I 8.07 3.68 1.86 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 1.52 1.10 0.89 0.00 0.00 27 L 7.70 3.92 0.00 1.63 1.57 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.87 3.97 0.00 2.13 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 2.32 2.48 0.00 29 S 8.12 4.11 0.00 3.96 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 30 V 7.49 3.73 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 0.83 0.00 0.00 0.97 0.00 0.00 31 G 7.95 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 32 C 7.34 4.63 0.00 2.91 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 33 E 8.49 4.20 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 34 I 8.14 4.13 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.96 0.00 0.00 35 D 8.87 4.67 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.36 0.00 2.82 2.81 0.00 0.00 6.84 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 37 E 8.15 3.92 0.00 2.01 1.88 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 2.24 2.31 0.00 38 K 7.80 3.61 0.00 1.25 0.74 0.00 1.72 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.18 1.40 7.81 39 M 8.00 4.17 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 40 E 8.65 3.91 0.00 2.09 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 2.28 2.30 0.00 41 L 8.18 3.88 0.00 1.79 1.52 0.85 0.81 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 42 M 7.88 3.98 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.72 0.00 43 L 8.24 3.83 0.00 1.79 1.75 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.10 4.05 0.00 3.95 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 Q 8.04 4.05 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 46 V 7.78 3.60 2.03 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 0.81 0.00 0.00 0.37 0.00 0.00 47 K 7.17 3.92 0.00 1.70 1.70 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.54 7.81 48 G 8.94 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 0.00 0.00 0.00 49 K 7.78 4.40 0.00 1.71 1.74 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 50 D 8.29 4.68 0.00 2.76 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 51 I 7.99 3.62 0.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.46 0.00 0.00 52 T 7.82 3.89 4.35 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 1.30 0.00 0.00 53 E 8.07 3.99 0.00 2.20 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 2.54 0.00 54 L 7.51 4.00 0.00 1.59 1.67 0.92 1.46 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 55 L 7.59 4.04 0.00 1.80 1.67 0.91 0.89 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 56 A 7.66 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.12 4.02 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 58 G 8.39 4.12 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 0.00 0.00 0.00 59 R 8.24 4.15 0.00 1.72 1.73 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00