NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4363 8.1627 120.6088 55.5332 34.0372 173.7566 2 Q 4.7429 8.5002 127.4082 53.3742 30.9644 172.6599 3 I 4.9438 9.2314 119.3203 59.2929 42.2431 173.2574 4 F 5.2750 9.2122 121.6658 55.7882 42.0922 174.8667 5 V 4.8752 8.7542 121.7356 61.2056 34.4346 174.2054 6 K 5.1466 9.1259 128.1505 55.2814 34.3717 176.4866 7 T 4.8418 8.5292 114.9478 60.0224 71.1258 175.6771 8 L 4.1695 8.6517 121.1822 56.9946 41.6493 178.3740 9 T 4.1790 7.5949 107.4938 61.4917 69.6148 175.5254 10 G 4.0873 7.8836 109.8203 44.8230 0.0000 173.2040 11 K 4.3196 8.2437 122.2587 55.9608 33.5648 175.5688 12 T 5.1413 8.5427 123.4570 61.9422 70.8637 173.4449 13 I 4.5538 8.8760 127.4329 59.8658 40.0611 174.6555 14 T 4.5092 8.4558 122.8623 61.9835 69.7268 173.9704 15 L 4.7685 8.5269 125.9065 52.7226 46.2027 175.1536 16 E 4.8076 8.5930 121.6427 54.9573 30.6928 175.1178 17 V 4.6170 9.2242 120.4860 60.1315 36.7450 174.1421 18 E 4.8359 8.9156 120.5810 53.8843 32.4466 176.1799 19 P 4.2884 0.0000 0.0000 65.6254 31.6706 178.1156 20 S 4.4532 7.8789 112.6786 59.0688 63.5005 174.0661 21 D 4.5269 7.7191 121.8492 54.1667 41.4904 176.1451 22 T 4.7296 8.1647 112.4941 60.9076 70.3590 175.7552 23 I 3.7144 8.5668 124.0815 64.6109 36.9962 178.4157 24 E 3.9199 8.1921 119.7169 59.3359 29.5866 178.2864 25 N 4.3671 8.0833 116.9436 56.3501 38.9518 177.1968 26 V 3.6004 7.5759 119.5120 65.7842 31.7522 177.9996 27 K 4.2173 8.5227 119.4991 58.9444 31.8972 179.1761 28 A 4.0295 8.0284 121.0158 55.0747 18.0895 179.8906 29 K 3.9690 7.8972 116.7780 59.6170 32.1050 179.6932 30 I 3.7310 7.7124 120.2633 64.1138 36.7486 178.2079 31 Q 3.9713 7.9442 119.6159 59.4114 29.0555 177.6916 32 D 4.4382 7.8834 117.3337 57.0009 41.1594 178.1070 33 K 4.1746 7.5693 118.2912 56.9352 32.7459 178.1321 34 E 4.7726 8.8180 113.0251 55.8288 29.6156 178.0304 35 G 4.1064 8.6004 112.5997 47.1190 0.0000 172.4089 36 I 4.2708 7.6658 120.5890 58.7979 38.6097 174.0691 37 P 4.4625 0.0000 0.0000 61.7216 32.2543 175.7385 38 P 4.2759 0.0000 0.0000 65.7782 31.4159 177.9921 39 D 4.3561 8.0996 117.3713 56.5233 41.6242 176.1789 40 Q 4.5462 8.0419 116.4388 55.7486 30.0641 175.1344 41 Q 4.9011 7.8297 119.4426 54.7977 30.9268 174.9683 42 R 4.6560 8.7222 121.4863 54.3984 34.1729 174.0971 43 L 5.0899 8.5088 123.2999 53.1682 44.0826 175.3542 44 I 4.9913 8.8225 124.5827 59.4783 40.4758 174.4519 45 F 4.8736 9.1493 127.4857 57.2598 43.1131 174.0579 46 A 3.5413 8.8988 126.3697 52.8550 16.0638 177.7888 47 G 3.8919 8.3382 104.8451 46.7879 0.0000 174.0410 48 K 4.5505 8.9424 120.7837 54.2074 34.0356 175.1679 49 Q 4.5256 8.5322 125.4504 55.8389 29.7952 175.1466 50 L 3.6033 8.4588 127.0099 54.1155 42.7889 176.0829 51 E 4.5114 10.0764 124.2074 55.0780 30.5742 177.1810 52 D 3.8505 9.2224 124.5462 57.4348 41.0257 178.1106 53 G 3.8036 8.0693 105.3305 46.4586 0.0000 173.5942 54 R 4.5348 8.8480 121.0270 54.8914 32.2839 175.6301 55 T 4.9903 8.8442 110.4370 59.7191 71.3039 175.7590 56 L 4.0523 8.5959 122.4217 58.2977 41.9991 180.0091 57 S 4.0691 8.3121 112.5857 61.6202 61.9142 175.9672 58 D 4.2318 7.7067 120.3793 56.5815 40.7156 177.2280 59 Y 4.6259 7.7410 116.2754 56.9635 38.3912 175.4413 60 N 4.2378 7.9384 114.8582 54.0902 36.9807 174.4899 61 I 3.6087 7.1273 118.2323 60.8975 37.1301 175.9647 62 Q 4.5730 8.2529 124.4911 53.0770 31.1786 175.0293 63 K 3.9373 8.3930 118.0516 58.7041 32.5539 176.1723 64 E 4.1628 9.1910 118.2573 57.4926 27.7877 175.0243 65 S 4.5261 7.8316 115.7587 59.0292 64.2414 173.6542 66 T 5.0380 8.8601 120.3903 62.4017 69.4882 173.9112 67 L 5.1130 9.0970 127.2786 53.6188 44.9009 175.2963 68 H 5.2918 9.2002 118.0823 54.1142 31.3278 173.3446 69 L 5.1625 8.6632 125.1222 53.4343 43.7175 175.6209 70 V 4.5708 8.7310 125.1834 61.0265 35.5308 173.9065 71 L 4.7842 8.4005 124.8082 53.3977 42.4305 177.8557 72 R 4.3347 8.9599 129.5186 54.8295 27.8197 175.2078 73 L 4.6681 7.7242 119.4155 54.0161 42.5014 176.8740 74 R 4.5684 8.4109 123.8405 55.2141 33.2901 175.4836 75 G 3.7171 9.1192 114.1655 46.5421 0.0000 173.9360 76 G 3.7195 8.8588 110.7975 45.5350 0.0000 173.6682 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 4.44 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 2 Q 8.50 4.74 0.00 2.18 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.61 0.00 0.00 0.00 0.00 0.00 2.02 2.39 0.00 3 I 9.23 4.94 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.45 0.87 0.00 0.00 4 F 9.21 5.27 0.00 3.13 2.99 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 5 V 8.75 4.88 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 1.08 0.00 0.00 0.94 0.00 0.00 6 K 9.13 5.15 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.36 7.81 7 T 8.53 4.84 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 1.26 0.00 0.00 8 L 8.65 4.17 0.00 1.66 1.78 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.59 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 10 G 7.88 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 0.00 0.00 0.00 11 K 8.24 4.32 0.00 1.89 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 12 T 8.54 5.14 4.30 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 1.34 0.00 0.00 13 I 8.88 4.55 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 1.25 0.79 0.90 0.00 0.00 14 T 8.46 4.51 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 0.64 0.00 0.00 15 L 8.53 4.77 0.00 1.45 1.45 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.59 4.81 0.00 1.90 1.81 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 2.16 2.26 0.00 17 V 9.22 4.62 2.05 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 0.70 0.00 0.00 0.91 0.00 0.00 18 E 8.92 4.84 0.00 2.16 1.81 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 2.20 2.20 0.00 19 P 0.00 4.29 0.00 2.20 2.29 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 20 S 7.88 4.45 0.00 3.87 3.93 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 21 D 7.72 4.53 0.00 3.04 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 4.73 4.43 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 1.22 0.00 0.00 23 I 8.57 3.71 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.93 0.93 0.00 0.00 24 E 8.19 3.92 0.00 2.04 1.95 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 2.38 2.37 0.00 25 N 8.08 4.37 0.00 2.91 2.91 0.00 0.00 6.89 7.50 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 26 V 7.58 3.60 2.25 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 0.99 0.00 0.00 1.01 0.00 0.00 27 K 8.52 4.22 0.00 2.00 1.84 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.55 7.81 28 A 8.03 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.97 0.00 2.07 1.84 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.71 3.73 2.24 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 0.77 0.94 0.00 0.00 31 Q 7.94 3.97 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 32 D 7.88 4.44 0.00 2.81 2.81 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 33 K 7.57 4.17 0.00 1.89 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.69 7.81 34 E 8.82 4.77 0.00 1.96 1.12 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 2.25 2.43 0.00 35 G 8.60 4.11 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 0.00 36 I 7.67 4.27 1.87 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 1.47 0.49 0.91 0.00 0.00 37 P 0.00 4.46 0.00 2.21 2.17 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 38 P 0.00 4.28 0.00 2.24 2.35 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 39 D 8.10 4.36 0.00 2.64 2.74 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 40 Q 8.04 4.55 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 41 Q 7.83 4.90 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 42 R 8.72 4.66 0.00 1.91 1.77 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 L 8.51 5.09 0.00 1.53 1.51 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.82 4.99 1.89 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 1.10 0.73 0.86 0.00 0.00 45 F 9.15 4.87 0.00 3.05 2.81 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 46 A 8.90 3.54 1.08 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 47 G 8.34 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 48 K 8.94 4.55 0.00 1.83 1.82 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.40 7.81 49 Q 8.53 4.53 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 50 L 8.46 3.60 0.00 1.31 1.05 0.72 -0.67 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 51 E 10.08 4.51 0.00 2.05 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 0.00 2.34 2.38 0.00 52 D 9.22 3.85 0.00 2.68 2.92 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 0.00 0.00 0.00 53 G 8.07 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 54 R 8.85 4.53 0.00 2.26 1.75 0.00 2.97 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 55 T 8.84 4.99 4.45 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 1.28 0.00 0.00 56 L 8.60 4.05 0.00 1.87 1.75 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.31 4.07 0.00 3.95 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 58 D 7.71 4.23 0.00 2.43 2.17 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 0.00 0.00 0.00 0.00 59 Y 7.74 4.63 0.00 3.04 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 60 N 7.94 4.24 0.00 2.89 2.92 0.00 0.00 6.88 6.96 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 61 I 7.13 3.61 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.25 0.69 0.00 0.00 62 Q 8.25 4.57 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 63 K 8.39 3.94 0.00 1.88 1.86 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.54 7.81 64 E 9.19 4.16 0.00 2.21 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 0.00 2.38 2.35 0.00 65 S 7.83 4.53 0.00 3.83 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 66 T 8.86 5.04 4.33 0.00 0.00 0.00 0.00 0.00 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 67 L 9.10 5.11 0.00 1.64 1.66 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.20 5.29 0.00 3.22 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.66 5.16 0.00 1.62 1.55 1.00 1.02 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 70 V 8.73 4.57 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.40 4.78 0.00 1.57 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.96 4.33 0.00 1.74 1.86 0.00 3.43 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 73 L 7.72 4.67 0.00 1.68 1.61 0.92 0.94 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 74 R 8.41 4.57 0.00 1.74 1.78 0.00 3.31 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 75 G 9.12 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 0.00 0.00 0.00 76 G 8.86 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 0.00 0.00 0.00