NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4381 8.1633 118.1937 54.9260 32.6219 174.3091 2 K 4.5503 8.1922 119.0307 54.1498 33.8281 175.2507 3 C 4.1007 9.5235 123.8951 59.3377 32.7309 172.9281 4 P 4.3678 0.0000 0.0000 64.4721 31.4263 177.2198 5 V 3.9937 7.6023 116.7571 64.5737 32.3065 176.5237 6 C 4.2118 7.8426 113.2576 58.7945 30.1868 174.0910 7 H 4.4861 7.8847 115.2905 56.7297 26.6273 174.5777 8 Q 4.3986 7.7413 117.1371 57.3983 30.8389 176.6248 9 G 3.8272 7.8143 105.2063 45.7280 0.0000 172.5103 10 E 4.6110 8.8325 125.1983 56.4784 31.1828 175.1264 11 M 4.8401 8.6126 125.9589 54.3317 33.4120 175.7925 12 V 4.4560 8.7118 123.5770 60.6835 34.7148 174.9092 13 S 4.5481 9.0514 124.0789 59.4149 63.5791 174.1977 14 G 4.0689 8.2560 109.2925 46.4425 0.0000 171.5246 15 I 5.3824 8.4101 119.4065 59.5653 40.6398 175.4646 16 K 4.5246 8.7525 123.8943 54.7531 36.9776 174.9096 17 D 5.1565 8.5711 122.3929 53.5883 42.1074 175.9007 18 I 4.5014 8.6970 125.3631 58.6698 39.4397 173.6734 19 P 4.8757 0.0000 0.0000 63.1509 32.2563 175.5042 20 Y 5.0300 8.8422 123.9485 56.4377 42.4068 173.8822 21 T 4.8917 7.8641 115.8464 59.8677 71.7693 173.5092 22 F 4.4542 9.6030 125.5817 58.4094 42.5380 174.5192 23 R 3.6086 9.1138 129.2065 57.3158 27.3096 176.9268 24 G 3.8897 8.1600 100.4506 45.9427 0.0000 173.0893 25 R 4.8737 7.9112 117.8245 54.0698 33.9262 174.4069 26 K 5.0288 8.4216 117.0223 56.1713 35.6761 174.5571 27 T 4.4489 8.2461 113.7436 60.9738 71.6203 171.9945 28 V 4.7430 7.9518 122.3778 60.8328 34.0298 174.6440 29 L 4.3047 8.9728 129.1009 54.1980 42.4957 176.2154 30 K 4.5911 8.7826 124.1695 55.6866 33.4239 177.1743 31 G 3.8932 8.4456 111.4539 46.6751 0.0000 174.3658 32 I 4.1409 7.9038 120.5068 60.9069 38.2992 176.1218 33 H 4.9390 9.0093 128.0860 55.8595 30.9111 174.6839 34 G 3.7150 8.1361 110.1807 46.4256 0.0000 171.0581 35 L 4.9441 7.7792 120.6828 53.5240 43.2710 175.6071 36 Y 4.7735 8.6233 122.8792 55.8061 40.2383 175.1937 37 C 4.5996 8.7546 125.4734 60.0607 31.8940 173.9440 38 V 3.9365 8.3875 118.1251 62.8055 31.2826 176.2392 39 H 4.6505 8.3904 119.3975 56.7794 31.2903 172.8576 40 C 4.9539 7.6967 111.2631 56.4447 32.1950 172.9936 41 E 4.4088 8.5557 117.6027 56.6164 29.5152 176.3540 42 E 4.3331 7.8557 121.2375 56.4474 30.9868 175.3920 43 S 4.9845 8.2434 117.5041 56.7950 66.7789 172.8134 44 I 4.5575 8.4031 120.7528 59.7777 40.3121 174.8136 45 M 5.1675 8.2981 124.5030 52.8835 36.0917 175.8322 46 N 4.6797 9.0027 120.6657 51.7056 40.4773 175.9288 47 K 3.8509 8.4391 119.7256 59.8409 32.1938 178.2001 48 E 3.9088 8.1490 118.8752 59.4326 29.6348 178.4152 49 E 4.0037 8.8948 118.9433 59.4708 29.4203 179.5748 50 S 4.1605 8.4012 115.4384 61.7844 62.9732 176.4332 51 D 4.3523 8.4236 121.5783 57.4032 40.6509 178.8798 52 A 3.9954 8.0877 121.2213 54.9192 18.2977 179.1966 53 F 4.0114 8.3728 119.2418 62.0762 39.5104 177.4854 54 M 3.7843 8.5023 117.8825 57.9265 31.6274 178.7138 55 A 3.9981 7.9892 121.3825 55.0741 18.4851 179.7451 56 Q 3.8546 7.8585 116.4838 58.8212 28.7334 178.7985 57 V 3.0798 7.4244 119.5501 65.9856 31.3990 178.3472 58 K 3.8063 8.2676 118.1148 59.1028 31.7981 179.2304 59 A 3.9319 8.3365 121.6385 55.1027 18.3345 179.4694 60 F 4.1830 8.3248 119.1361 61.6017 39.4987 177.5205 61 R 3.2464 8.0184 117.5348 58.8568 29.5499 178.8270 62 A 3.9238 8.0203 120.6712 55.1524 18.1378 179.6048 63 S 3.9825 7.6574 110.4469 61.5703 62.7729 176.3062 64 V 3.7816 7.4971 120.8644 66.0843 31.0433 177.8083 65 N 4.4472 8.2327 115.0389 55.7061 38.4645 176.3656 66 A 4.2977 7.4868 119.9479 51.5622 19.3693 176.8782 67 E 4.1485 7.4344 119.3909 55.3730 30.4532 176.5775 68 T 3.9694 8.3808 122.8072 63.5723 69.1816 173.7343 69 V 4.1537 8.1968 124.9288 61.1129 32.9000 175.4263 70 A 4.2383 8.5437 128.9788 52.4318 18.6579 176.6311 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 2.21 2.26 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 2.53 2.56 0.00 2 K 8.19 4.55 0.00 1.86 1.78 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.49 7.81 3 C 9.52 4.10 0.00 2.92 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 4 P 0.00 4.37 0.00 2.04 2.07 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 5 V 7.60 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 6 C 7.84 4.21 0.00 3.20 3.19 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 0.00 7 H 7.88 4.49 0.00 3.38 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.74 4.40 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 G 7.81 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 10 E 8.83 4.61 0.00 2.11 1.84 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 2.38 2.41 0.00 11 M 8.61 4.84 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.73 0.00 12 V 8.71 4.46 2.12 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 1.10 0.00 0.00 0.95 0.00 0.00 13 S 9.05 4.55 0.00 3.82 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 14 G 8.26 4.07 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 0.00 0.00 0.00 15 I 8.41 5.38 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.89 0.00 0.00 16 K 8.75 4.52 0.00 1.20 1.38 0.00 1.17 0.00 0.00 1.38 0.00 0.00 2.63 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.86 0.21 7.81 17 D 8.57 5.16 0.00 2.53 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.70 4.50 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 1.09 0.00 0.00 19 P 0.00 4.88 0.00 1.97 2.00 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 20 Y 8.84 5.03 0.00 3.05 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.86 4.89 4.18 0.00 0.00 0.00 0.00 0.00 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 22 F 9.60 4.45 0.00 2.90 3.02 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 R 9.11 3.61 0.00 1.40 1.61 0.00 2.83 0.00 0.00 2.93 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 24 G 8.16 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 25 R 7.91 4.87 0.00 2.06 2.01 0.00 3.33 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 26 K 8.42 5.03 0.00 1.86 1.73 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.41 7.81 27 T 8.25 4.45 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 0.49 0.00 0.00 28 V 7.95 4.74 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 0.87 0.00 0.00 0.90 0.00 0.00 29 L 8.97 4.30 0.00 1.68 1.57 0.62 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.78 4.59 0.00 1.62 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.65 7.81 31 G 8.45 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 32 I 7.90 4.14 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 1.01 0.00 0.00 33 H 9.01 4.94 0.00 3.24 3.23 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.14 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 35 L 7.78 4.94 0.00 1.63 1.49 0.88 1.17 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 36 Y 8.62 4.77 0.00 2.98 2.83 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 37 C 8.75 4.60 0.00 2.99 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 38 V 8.39 3.94 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 0.69 0.00 0.00 0.96 0.00 0.00 39 H 8.39 4.65 0.00 3.05 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.70 4.95 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.56 4.41 0.00 2.00 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 0.00 2.28 2.29 0.00 42 E 7.86 4.33 0.00 2.08 1.79 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 2.33 2.30 0.00 43 S 8.24 4.98 0.00 3.01 3.19 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 0.00 44 I 8.40 4.56 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.84 0.00 0.00 45 M 8.30 5.17 0.00 1.75 1.77 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 46 N 9.00 4.68 0.00 2.99 2.96 0.00 0.00 6.53 6.78 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 47 K 8.44 3.85 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 48 E 8.15 3.91 0.00 2.06 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 2.38 2.40 0.00 49 E 8.89 4.00 0.00 2.18 2.11 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 2.36 2.44 0.00 50 S 8.40 4.16 0.00 4.03 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 51 D 8.42 4.35 0.00 2.73 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 52 A 8.09 4.00 1.41 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 0.00 0.00 53 F 8.37 4.01 0.00 3.18 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 54 M 8.50 3.78 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.95 0.00 55 A 7.99 4.00 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 56 Q 7.86 3.85 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 57 V 7.42 3.08 1.66 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 0.62 0.00 0.00 -0.37 0.00 0.00 58 K 8.27 3.81 0.00 1.67 1.75 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 59 A 8.34 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 60 F 8.32 4.18 0.00 3.11 3.24 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 61 R 8.02 3.25 0.00 1.65 1.32 0.00 2.87 0.00 0.00 2.66 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 62 A 8.02 3.92 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.66 3.98 0.00 3.88 3.92 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 64 V 7.50 3.78 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 1.02 0.00 0.00 0.21 0.00 0.00 65 N 8.23 4.45 0.00 2.82 2.90 0.00 0.00 7.02 6.95 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 66 A 7.49 4.30 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 67 E 7.43 4.15 0.00 2.12 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 2.31 2.28 0.00 68 T 8.38 3.97 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 69 V 8.20 4.15 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 0.79 0.00 0.00 0.91 0.00 0.00 70 A 8.54 4.24 1.23 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 0.00 0.00